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 1g97_1_A DATA FIRST_RESID 2 DATA SEQUENCE SNFAIILAAG KGTRMKSDLP KVLHKVAGIS MLEHVFRSVG AIQPEKTVTV DATA SEQUENCE VGHKAELVEE VLAGQTEFVT QSEQLGTGHA VMMTEPILEG LSGHTLVIAG DATA SEQUENCE DTPLITGESL KNLIDFHINH KNVATILTAE TDNPFGYGRI VRNDNAEVLR DATA SEQUENCE IVEQKDATDF EKQIKEINTG TYVFDNERLF EALKNINTNN AQGEYYITDV DATA SEQUENCE IGIFRETGEK VGAYTLKDFD ESLGVNDRVA LATAESVMRR RINHKHMVNG DATA SEQUENCE VSFVNPEATY IDIDVEIASE VQIEANVTLK GQTKIGAETV LTNGTYVVDS DATA SEQUENCE TIGAGAVITN SMIEESSVAD GVIVGPYAHI RPNSSLGAQV HIGNFVEVKG DATA SEQUENCE SSIGENTKAG HLTYIGNCEV GSNVNFGAGT ITVNYDGKNK YKTVIGNNVF DATA SEQUENCE VGSNSTIIAP VELGDNSLVG AGSTITKDVP ADAIAIGRGR QINKDE 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.236 174.600 -0.607 0.000 1.055 2 S CA 0.000 57.973 58.200 -0.379 0.000 1.107 2 S CB 0.000 62.993 63.200 -0.344 0.000 0.593 3 N N 3.050 121.405 118.700 -0.576 0.000 2.399 3 N HA 0.699 5.438 4.740 -0.001 0.000 0.295 3 N C -1.297 173.799 175.510 -0.689 0.000 1.048 3 N CA -0.127 52.638 53.050 -0.474 0.000 0.886 3 N CB 0.836 39.214 38.487 -0.181 0.000 1.185 3 N HN 0.441 nan 8.380 nan 0.000 0.487 4 F N 0.205 120.176 119.950 0.035 0.000 2.593 4 F HA 0.758 5.285 4.527 -0.000 0.000 0.320 4 F C 0.156 175.980 175.800 0.040 0.000 1.060 4 F CA -1.127 56.897 58.000 0.040 0.000 0.940 4 F CB 1.609 40.650 39.000 0.068 0.000 1.268 4 F HN 0.374 nan 8.300 nan 0.000 0.475 5 A N 2.232 125.188 122.820 0.226 0.000 2.393 5 A HA 0.879 5.198 4.320 -0.001 0.000 0.306 5 A C -1.332 176.337 177.584 0.142 0.000 1.050 5 A CA -0.550 51.568 52.037 0.137 0.000 0.724 5 A CB 1.058 20.091 19.000 0.055 0.000 1.248 5 A HN 0.703 nan 8.150 nan 0.000 0.424 6 I N 3.066 123.718 120.570 0.138 0.000 2.439 6 I HA 0.351 4.521 4.170 -0.001 0.000 0.285 6 I C -0.976 175.219 176.117 0.130 0.000 1.021 6 I CA -0.184 61.197 61.300 0.136 0.000 1.091 6 I CB 1.587 39.677 38.000 0.150 0.000 1.242 6 I HN 0.501 nan 8.210 nan 0.000 0.439 7 I N 6.874 127.519 120.570 0.126 0.000 2.339 7 I HA 0.344 4.513 4.170 -0.001 0.000 0.290 7 I C -0.283 175.917 176.117 0.137 0.000 0.994 7 I CA -0.613 60.768 61.300 0.134 0.000 1.191 7 I CB 1.317 39.410 38.000 0.154 0.000 1.343 7 I HN 0.309 nan 8.210 nan 0.000 0.458 8 L N 6.529 127.834 121.223 0.136 0.000 2.278 8 L HA 0.499 4.838 4.340 -0.001 0.000 0.287 8 L C 0.715 177.665 176.870 0.133 0.000 1.072 8 L CA -0.073 54.847 54.840 0.133 0.000 0.819 8 L CB 1.000 43.139 42.059 0.133 0.000 1.176 8 L HN 0.786 nan 8.230 nan 0.000 0.435 9 A N 2.428 125.332 122.820 0.140 0.000 2.543 9 A HA 0.558 4.878 4.320 -0.001 0.000 0.279 9 A C 1.025 178.695 177.584 0.143 0.000 0.917 9 A CA 0.359 52.481 52.037 0.142 0.000 1.036 9 A CB 0.447 19.540 19.000 0.156 0.000 1.227 9 A HN 0.730 nan 8.150 nan 0.000 0.503 10 A N -0.313 122.590 122.820 0.140 0.000 2.252 10 A HA 0.540 4.859 4.320 -0.001 0.000 0.213 10 A C 1.387 179.063 177.584 0.154 0.000 1.188 10 A CA 0.675 52.800 52.037 0.148 0.000 0.863 10 A CB -0.373 18.711 19.000 0.139 0.000 0.893 10 A HN 0.982 nan 8.150 nan 0.000 0.495 11 G N -0.205 108.668 108.800 0.122 0.000 2.690 11 G HA2 0.214 4.174 3.960 -0.001 0.000 0.239 11 G HA3 0.214 4.174 3.960 -0.001 0.000 0.239 11 G C 0.588 175.503 174.900 0.025 0.000 1.233 11 G CA -0.133 45.013 45.100 0.077 0.000 0.847 11 G HN 0.407 nan 8.290 nan 0.000 0.588 12 K N 0.372 120.721 120.400 -0.084 0.000 2.243 12 K HA 0.135 4.455 4.320 -0.001 0.000 0.201 12 K C 1.696 178.175 176.600 -0.203 0.000 1.051 12 K CA 0.577 56.679 56.287 -0.307 0.000 0.970 12 K CB 0.143 32.488 32.500 -0.259 0.000 0.755 12 K HN 0.876 nan 8.250 nan 0.000 0.465 13 G N 2.282 111.031 108.800 -0.085 0.000 2.338 13 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.296 13 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.296 13 G C 0.623 175.482 174.900 -0.067 0.000 1.040 13 G CA 0.670 45.736 45.100 -0.057 0.000 1.004 13 G HN 0.238 nan 8.290 nan 0.000 0.509 14 T N 0.317 114.828 114.554 -0.071 0.000 2.653 14 T HA -0.176 4.173 4.350 -0.001 0.000 0.268 14 T C 2.572 177.248 174.700 -0.040 0.000 1.035 14 T CA 1.523 63.589 62.100 -0.055 0.000 1.154 14 T CB -0.138 68.702 68.868 -0.046 0.000 0.862 14 T HN 0.439 nan 8.240 nan 0.000 0.441 15 R N 0.578 121.052 120.500 -0.043 0.000 2.193 15 R HA 0.097 4.437 4.340 -0.001 0.000 0.229 15 R C 2.235 178.506 176.300 -0.047 0.000 1.110 15 R CA 0.725 56.803 56.100 -0.037 0.000 0.988 15 R CB -0.522 29.755 30.300 -0.038 0.000 0.871 15 R HN 0.418 nan 8.270 nan 0.000 0.458 16 M N 0.527 120.085 119.600 -0.069 0.000 2.229 16 M HA -0.055 4.424 4.480 -0.001 0.000 0.264 16 M C 0.370 176.641 176.300 -0.048 0.000 1.063 16 M CA 0.837 56.074 55.300 -0.105 0.000 1.114 16 M CB -0.476 32.011 32.600 -0.188 0.000 1.387 16 M HN 0.030 nan 8.290 nan 0.000 0.420 17 K N 0.995 121.385 120.400 -0.017 0.000 3.393 17 K HA -0.117 4.202 4.320 -0.001 0.000 0.272 17 K C -0.169 176.458 176.600 0.046 0.000 1.004 17 K CA 0.391 56.684 56.287 0.011 0.000 0.764 17 K CB -1.686 30.819 32.500 0.008 0.000 1.373 17 K HN 0.330 nan 8.250 nan 0.000 0.458 18 S N -0.636 115.108 115.700 0.074 0.000 2.564 18 S HA 0.305 4.775 4.470 -0.001 0.000 0.274 18 S C 0.185 174.877 174.600 0.153 0.000 1.124 18 S CA -0.921 57.366 58.200 0.145 0.000 0.869 18 S CB 1.646 65.022 63.200 0.293 0.000 1.105 18 S HN 0.224 nan 8.310 nan 0.000 0.472 19 D N 1.252 121.733 120.400 0.135 0.000 2.333 19 D HA 0.071 4.711 4.640 -0.001 0.000 0.208 19 D C 0.353 176.736 176.300 0.138 0.000 0.984 19 D CA 0.411 54.488 54.000 0.128 0.000 0.873 19 D CB 0.203 41.046 40.800 0.072 0.000 0.935 19 D HN 0.335 nan 8.370 nan 0.000 0.521 20 L N 1.886 123.189 121.223 0.133 0.000 2.290 20 L HA 0.291 4.631 4.340 -0.001 0.000 0.284 20 L C -2.463 174.537 176.870 0.217 0.000 1.078 20 L CA -1.505 53.385 54.840 0.084 0.000 0.815 20 L CB 0.998 43.002 42.059 -0.093 0.000 1.162 20 L HN -0.328 nan 8.230 nan 0.000 0.435 21 P HA -0.031 nan 4.420 nan 0.000 0.262 21 P C 0.110 177.587 177.300 0.294 0.000 1.182 21 P CA 0.165 63.424 63.100 0.265 0.000 0.761 21 P CB 0.493 32.299 31.700 0.177 0.000 0.795 22 K N 3.596 124.145 120.400 0.248 0.000 2.052 22 K HA -0.226 4.093 4.320 -0.001 0.000 0.215 22 K C 1.516 178.254 176.600 0.229 0.000 1.053 22 K CA 2.475 58.877 56.287 0.192 0.000 0.934 22 K CB -0.660 31.866 32.500 0.045 0.000 0.717 22 K HN 0.343 nan 8.250 nan 0.000 0.450 23 V N -0.553 119.466 119.914 0.174 0.000 2.828 23 V HA -0.158 3.961 4.120 -0.001 0.000 0.260 23 V C 1.814 178.005 176.094 0.162 0.000 1.101 23 V CA 1.530 63.923 62.300 0.155 0.000 1.123 23 V CB -0.617 31.288 31.823 0.136 0.000 0.704 23 V HN 0.268 nan 8.190 nan 0.000 0.493 24 L N -0.769 120.554 121.223 0.166 0.000 2.558 24 L HA 0.202 4.541 4.340 -0.001 0.000 0.225 24 L C 1.164 178.076 176.870 0.070 0.000 1.128 24 L CA 0.004 54.900 54.840 0.094 0.000 0.868 24 L CB -0.662 41.418 42.059 0.036 0.000 1.006 24 L HN 0.415 nan 8.230 nan 0.000 0.454 25 H N 2.120 121.228 119.070 0.065 0.000 2.886 25 H HA 0.096 4.651 4.556 -0.001 0.000 0.329 25 H C 0.046 175.420 175.328 0.078 0.000 1.044 25 H CA 0.361 56.447 56.048 0.062 0.000 1.456 25 H CB 0.720 30.516 29.762 0.057 0.000 1.464 25 H HN 0.124 nan 8.280 nan 0.000 0.573 26 K N 2.170 122.647 120.400 0.128 0.000 2.237 26 K HA 0.312 4.632 4.320 -0.001 0.000 0.270 26 K C -0.562 176.134 176.600 0.160 0.000 1.015 26 K CA -0.413 55.952 56.287 0.130 0.000 0.949 26 K CB 1.185 33.732 32.500 0.079 0.000 0.976 26 K HN 0.208 nan 8.250 nan 0.000 0.472 27 V N 1.992 122.031 119.914 0.208 0.000 2.488 27 V HA 0.314 4.433 4.120 -0.001 0.000 0.293 27 V C -0.152 176.110 176.094 0.279 0.000 1.027 27 V CA -0.527 61.891 62.300 0.196 0.000 0.862 27 V CB 1.150 33.046 31.823 0.122 0.000 1.008 27 V HN 0.981 nan 8.190 nan 0.000 0.428 28 A N 3.966 126.896 122.820 0.183 0.000 2.822 28 A HA 0.069 4.388 4.320 -0.001 0.000 0.287 28 A C 1.769 179.448 177.584 0.159 0.000 1.479 28 A CA 1.556 53.700 52.037 0.177 0.000 0.779 28 A CB -1.486 17.628 19.000 0.190 0.000 1.022 28 A HN 2.654 nan 8.150 nan 0.000 0.532 29 G N -2.256 106.617 108.800 0.121 0.000 2.234 29 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.235 29 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.235 29 G C 0.394 175.319 174.900 0.043 0.000 0.997 29 G CA 0.509 45.654 45.100 0.075 0.000 0.623 29 G HN 2.456 nan 8.290 nan 0.000 0.514 30 I N -0.811 119.780 120.570 0.035 0.000 2.934 30 I HA 0.820 4.989 4.170 -0.001 0.000 0.306 30 I C 0.482 176.606 176.117 0.012 0.000 1.110 30 I CA -0.564 60.709 61.300 -0.046 0.000 1.019 30 I CB 2.045 39.928 38.000 -0.195 0.000 1.227 30 I HN 0.367 nan 8.210 nan 0.000 0.434 31 S N 3.899 119.608 115.700 0.015 0.000 2.576 31 S HA 0.205 4.675 4.470 -0.001 0.000 0.272 31 S C 0.942 175.643 174.600 0.169 0.000 1.352 31 S CA -0.518 57.735 58.200 0.088 0.000 1.021 31 S CB 0.998 64.235 63.200 0.062 0.000 0.887 31 S HN 0.830 nan 8.310 nan 0.000 0.542 32 M N 0.721 120.453 119.600 0.221 0.000 2.149 32 M HA -0.097 4.382 4.480 -0.001 0.000 0.261 32 M C 2.010 178.439 176.300 0.215 0.000 1.064 32 M CA 1.272 56.724 55.300 0.255 0.000 1.102 32 M CB -0.739 31.966 32.600 0.176 0.000 1.369 32 M HN 0.768 nan 8.290 nan 0.000 0.408 33 L N 0.855 122.175 121.223 0.162 0.000 2.042 33 L HA -0.188 4.151 4.340 -0.001 0.000 0.210 33 L C 1.993 178.962 176.870 0.165 0.000 1.076 33 L CA 1.991 56.922 54.840 0.153 0.000 0.749 33 L CB -0.546 41.588 42.059 0.125 0.000 0.893 33 L HN 0.265 nan 8.230 nan 0.000 0.432 34 E N -1.618 118.643 120.200 0.102 0.000 2.106 34 E HA -0.211 4.138 4.350 -0.001 0.000 0.192 34 E C 2.090 178.755 176.600 0.108 0.000 0.984 34 E CA 1.060 57.505 56.400 0.074 0.000 0.806 34 E CB -0.196 29.475 29.700 -0.048 0.000 0.750 34 E HN 0.609 nan 8.360 nan 0.000 0.458 35 H N -0.037 119.108 119.070 0.125 0.000 2.353 35 H HA -0.083 4.472 4.556 -0.001 0.000 0.300 35 H C 2.320 177.708 175.328 0.100 0.000 1.090 35 H CA 1.205 57.313 56.048 0.100 0.000 1.327 35 H CB -0.123 29.684 29.762 0.075 0.000 1.383 35 H HN 0.049 nan 8.280 nan 0.000 0.508 36 V N 0.984 121.042 119.914 0.241 0.000 2.358 36 V HA -0.233 3.886 4.120 -0.001 0.000 0.246 36 V C 2.334 178.520 176.094 0.153 0.000 1.047 36 V CA 1.642 64.041 62.300 0.165 0.000 1.035 36 V CB -0.806 31.109 31.823 0.154 0.000 0.658 36 V HN 0.217 nan 8.190 nan 0.000 0.452 37 F N 1.221 121.207 119.950 0.059 0.000 2.134 37 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 37 F C 2.556 178.373 175.800 0.028 0.000 1.097 37 F CA 1.687 59.709 58.000 0.036 0.000 1.264 37 F CB -0.210 38.807 39.000 0.029 0.000 1.001 37 F HN -0.027 nan 8.300 nan 0.000 0.479 38 R N -0.449 120.118 120.500 0.111 0.000 2.092 38 R HA -0.112 4.227 4.340 -0.001 0.000 0.231 38 R C 2.402 178.669 176.300 -0.054 0.000 1.119 38 R CA 1.480 57.591 56.100 0.019 0.000 0.970 38 R CB -0.646 29.711 30.300 0.095 0.000 0.864 38 R HN 0.230 nan 8.270 nan 0.000 0.440 39 S N 0.381 116.074 115.700 -0.013 0.000 2.368 39 S HA -0.089 4.380 4.470 -0.001 0.000 0.224 39 S C 2.104 176.654 174.600 -0.084 0.000 1.029 39 S CA 1.063 59.247 58.200 -0.027 0.000 0.988 39 S CB -0.119 63.085 63.200 0.008 0.000 0.838 39 S HN 0.063 nan 8.310 nan 0.000 0.462 40 V N 1.844 121.683 119.914 -0.126 0.000 2.324 40 V HA -0.204 3.915 4.120 -0.001 0.000 0.250 40 V C 2.588 178.554 176.094 -0.213 0.000 1.060 40 V CA 1.948 64.149 62.300 -0.165 0.000 1.042 40 V CB -1.492 30.211 31.823 -0.201 0.000 0.650 40 V HN 0.609 nan 8.190 nan 0.000 0.450 41 G N -0.547 108.071 108.800 -0.303 0.000 2.479 41 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.220 41 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.220 41 G C 1.671 176.486 174.900 -0.141 0.000 1.115 41 G CA 0.962 45.909 45.100 -0.255 0.000 0.757 41 G HN 0.643 nan 8.290 nan 0.000 0.560 42 A N 1.176 123.929 122.820 -0.111 0.000 2.019 42 A HA 0.034 4.353 4.320 -0.001 0.000 0.219 42 A C 2.289 179.829 177.584 -0.073 0.000 1.164 42 A CA 1.281 53.272 52.037 -0.076 0.000 0.644 42 A CB -0.354 18.611 19.000 -0.059 0.000 0.805 42 A HN 0.817 nan 8.150 nan 0.000 0.449 43 I N -4.113 116.407 120.570 -0.084 0.000 3.684 43 I HA 0.095 4.264 4.170 -0.001 0.000 0.304 43 I C 0.117 176.185 176.117 -0.082 0.000 1.278 43 I CA 0.321 61.574 61.300 -0.077 0.000 1.272 43 I CB -0.569 37.386 38.000 -0.075 0.000 1.029 43 I HN 0.328 nan 8.210 nan 0.000 0.458 44 Q N 1.585 121.332 119.800 -0.087 0.000 2.453 44 Q HA -0.122 4.218 4.340 -0.001 0.000 0.330 44 Q C -2.006 173.937 176.000 -0.094 0.000 1.417 44 Q CA -0.080 55.674 55.803 -0.083 0.000 0.902 44 Q CB -1.485 27.213 28.738 -0.065 0.000 1.154 44 Q HN 0.523 nan 8.270 nan 0.000 0.395 45 P HA -0.053 nan 4.420 nan 0.000 0.271 45 P C -0.009 177.249 177.300 -0.070 0.000 1.216 45 P CA 0.317 63.358 63.100 -0.099 0.000 0.771 45 P CB 0.863 32.530 31.700 -0.056 0.000 0.864 46 E N 1.514 121.650 120.200 -0.107 0.000 2.216 46 E HA -0.042 4.308 4.350 -0.001 0.000 0.192 46 E C 0.183 176.847 176.600 0.107 0.000 0.988 46 E CA 0.976 57.365 56.400 -0.018 0.000 0.834 46 E CB 0.156 29.823 29.700 -0.055 0.000 0.772 46 E HN 0.486 nan 8.360 nan 0.000 0.479 47 K N 0.324 120.847 120.400 0.206 0.000 2.468 47 K HA 0.363 4.682 4.320 -0.001 0.000 0.252 47 K C -1.222 175.483 176.600 0.176 0.000 0.932 47 K CA -0.377 56.044 56.287 0.223 0.000 0.794 47 K CB 2.497 35.183 32.500 0.311 0.000 1.241 47 K HN -0.207 nan 8.250 nan 0.000 0.428 48 T N 1.447 116.061 114.554 0.101 0.000 2.840 48 T HA 0.376 4.725 4.350 -0.001 0.000 0.287 48 T C -0.917 173.804 174.700 0.035 0.000 0.991 48 T CA -0.638 61.509 62.100 0.079 0.000 0.964 48 T CB 1.371 70.288 68.868 0.082 0.000 0.954 48 T HN 0.199 nan 8.240 nan 0.000 0.438 49 V N 3.409 123.352 119.914 0.047 0.000 2.444 49 V HA 0.514 4.634 4.120 -0.001 0.000 0.294 49 V C 0.031 176.140 176.094 0.026 0.000 1.022 49 V CA -0.800 61.505 62.300 0.009 0.000 0.850 49 V CB 1.929 33.782 31.823 0.049 0.000 0.992 49 V HN 0.945 nan 8.190 nan 0.000 0.426 50 T N 4.204 118.737 114.554 -0.034 0.000 2.756 50 T HA 0.416 4.766 4.350 -0.001 0.000 0.290 50 T C -0.085 174.715 174.700 0.168 0.000 0.985 50 T CA -0.340 61.801 62.100 0.069 0.000 0.955 50 T CB 1.329 70.225 68.868 0.047 0.000 0.930 50 T HN 0.368 nan 8.240 nan 0.000 0.451 51 V N 5.477 125.483 119.914 0.153 0.000 2.427 51 V HA 0.323 4.443 4.120 -0.001 0.000 0.268 51 V C 0.609 176.803 176.094 0.167 0.000 1.046 51 V CA -0.465 61.924 62.300 0.148 0.000 0.970 51 V CB 0.133 32.024 31.823 0.113 0.000 1.001 51 V HN 0.762 nan 8.190 nan 0.000 0.476 52 V N 2.647 122.663 119.914 0.170 0.000 3.019 52 V HA 1.119 5.238 4.120 -0.001 0.000 0.317 52 V C 0.396 176.552 176.094 0.104 0.000 1.094 52 V CA 0.401 62.782 62.300 0.136 0.000 1.000 52 V CB 1.638 33.526 31.823 0.108 0.000 1.060 52 V HN 0.820 nan 8.190 nan 0.000 0.443 53 G N 0.473 109.331 108.800 0.096 0.000 3.645 53 G HA2 0.105 4.065 3.960 -0.001 0.000 0.122 53 G HA3 0.105 4.065 3.960 -0.001 0.000 0.122 53 G C -0.177 174.782 174.900 0.099 0.000 1.252 53 G CA 0.134 45.294 45.100 0.100 0.000 1.225 53 G HN 1.129 nan 8.290 nan 0.000 0.541 54 H N 2.520 121.619 119.070 0.048 0.000 3.138 54 H HA 0.373 4.929 4.556 0.000 0.000 0.275 54 H C 0.405 175.750 175.328 0.028 0.000 0.997 54 H CA 0.785 56.856 56.048 0.039 0.000 1.460 54 H CB -0.230 29.560 29.762 0.046 0.000 1.524 54 H HN 0.385 nan 8.280 nan 0.000 0.532 55 K N 3.086 123.258 120.400 -0.379 0.000 3.257 55 K HA -0.261 4.059 4.320 -0.001 0.000 0.270 55 K C 1.127 177.635 176.600 -0.154 0.000 0.984 55 K CA 0.327 56.431 56.287 -0.305 0.000 0.739 55 K CB -1.483 30.758 32.500 -0.431 0.000 1.351 55 K HN 0.761 nan 8.250 nan 0.000 0.463 56 A N 1.549 124.308 122.820 -0.102 0.000 1.948 56 A HA -0.266 4.053 4.320 -0.001 0.000 0.220 56 A C 2.173 179.668 177.584 -0.149 0.000 1.177 56 A CA 1.904 53.886 52.037 -0.092 0.000 0.636 56 A CB -0.253 18.706 19.000 -0.068 0.000 0.815 56 A HN 0.692 nan 8.150 nan 0.000 0.449 57 E N 0.840 120.957 120.200 -0.138 0.000 2.110 57 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 57 E C 1.900 178.417 176.600 -0.139 0.000 0.988 57 E CA 1.454 57.766 56.400 -0.148 0.000 0.804 57 E CB -0.831 28.803 29.700 -0.110 0.000 0.745 57 E HN 0.642 nan 8.360 nan 0.000 0.458 58 L N 0.792 121.947 121.223 -0.113 0.000 2.056 58 L HA -0.105 4.235 4.340 -0.001 0.000 0.207 58 L C 2.778 179.599 176.870 -0.081 0.000 1.078 58 L CA 0.929 55.716 54.840 -0.088 0.000 0.749 58 L CB -0.392 41.623 42.059 -0.074 0.000 0.901 58 L HN -0.011 nan 8.230 nan 0.000 0.433 59 V N -0.263 119.603 119.914 -0.081 0.000 2.358 59 V HA -0.223 3.896 4.120 -0.001 0.000 0.246 59 V C 2.295 178.323 176.094 -0.110 0.000 1.047 59 V CA 1.594 63.867 62.300 -0.044 0.000 1.035 59 V CB -0.515 31.314 31.823 0.010 0.000 0.658 59 V HN 0.433 nan 8.190 nan 0.000 0.452 60 E N -0.052 119.956 120.200 -0.321 0.000 2.153 60 E HA -0.267 4.082 4.350 -0.001 0.000 0.194 60 E C 2.242 178.664 176.600 -0.296 0.000 0.988 60 E CA 1.272 57.264 56.400 -0.681 0.000 0.811 60 E CB -0.080 29.098 29.700 -0.871 0.000 0.746 60 E HN 0.703 nan 8.360 nan 0.000 0.466 61 E N 0.643 120.738 120.200 -0.174 0.000 2.106 61 E HA -0.160 4.189 4.350 -0.001 0.000 0.192 61 E C 2.076 178.646 176.600 -0.050 0.000 0.984 61 E CA 0.901 57.245 56.400 -0.094 0.000 0.806 61 E CB 0.238 29.891 29.700 -0.079 0.000 0.750 61 E HN 0.047 nan 8.360 nan 0.000 0.458 62 V N 1.127 121.016 119.914 -0.042 0.000 2.295 62 V HA -0.214 3.905 4.120 -0.001 0.000 0.246 62 V C 2.038 178.107 176.094 -0.041 0.000 1.049 62 V CA 1.385 63.666 62.300 -0.031 0.000 1.024 62 V CB -0.231 31.580 31.823 -0.019 0.000 0.648 62 V HN 0.340 nan 8.190 nan 0.000 0.447 63 L N 0.278 121.512 121.223 0.018 0.000 2.872 63 L HA 0.451 4.790 4.340 -0.001 0.000 0.245 63 L C 0.865 177.820 176.870 0.141 0.000 1.211 63 L CA -0.429 54.392 54.840 -0.032 0.000 1.013 63 L CB -0.146 41.856 42.059 -0.096 0.000 1.326 63 L HN 0.226 nan 8.230 nan 0.000 0.525 64 A N 0.183 123.083 122.820 0.133 0.000 2.548 64 A HA 0.365 4.684 4.320 -0.001 0.000 0.247 64 A C 1.505 179.147 177.584 0.097 0.000 1.067 64 A CA 0.870 53.002 52.037 0.157 0.000 0.757 64 A CB -0.206 18.821 19.000 0.045 0.000 0.996 64 A HN 0.697 nan 8.150 nan 0.000 0.504 65 G N 1.593 110.472 108.800 0.132 0.000 2.168 65 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.263 65 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.263 65 G C 0.523 175.442 174.900 0.030 0.000 0.977 65 G CA 0.928 46.068 45.100 0.067 0.000 0.659 65 G HN 0.862 nan 8.290 nan 0.000 0.533 66 Q N -1.199 118.590 119.800 -0.019 0.000 2.245 66 Q HA 0.313 4.653 4.340 -0.001 0.000 0.236 66 Q C 0.726 176.735 176.000 0.015 0.000 0.842 66 Q CA 0.925 56.712 55.803 -0.026 0.000 0.945 66 Q CB 1.423 30.009 28.738 -0.252 0.000 1.122 66 Q HN 0.423 nan 8.270 nan 0.000 0.506 67 T N -0.200 114.259 114.554 -0.159 0.000 2.840 67 T HA 0.202 4.552 4.350 -0.001 0.000 0.317 67 T C -1.783 172.607 174.700 -0.516 0.000 1.401 67 T CA -0.636 61.315 62.100 -0.248 0.000 1.028 67 T CB 1.749 70.451 68.868 -0.276 0.000 1.317 67 T HN 0.007 nan 8.240 nan 0.000 0.495 68 E N 1.336 121.326 120.200 -0.349 0.000 2.313 68 E HA 0.509 4.858 4.350 -0.001 0.000 0.272 68 E C -1.057 175.288 176.600 -0.424 0.000 1.038 68 E CA -0.334 55.910 56.400 -0.261 0.000 0.863 68 E CB 0.842 30.497 29.700 -0.074 0.000 1.060 68 E HN 0.374 nan 8.360 nan 0.000 0.402 69 F N 0.762 120.734 119.950 0.036 0.000 2.532 69 F HA 0.389 4.915 4.527 -0.001 0.000 0.321 69 F C -0.147 175.669 175.800 0.026 0.000 1.089 69 F CA -1.050 56.970 58.000 0.033 0.000 0.926 69 F CB 1.667 40.679 39.000 0.020 0.000 1.168 69 F HN 0.132 nan 8.300 nan 0.000 0.459 70 V N -1.067 118.979 119.914 0.220 0.000 2.709 70 V HA 0.714 4.833 4.120 -0.001 0.000 0.308 70 V C -0.488 175.675 176.094 0.114 0.000 1.062 70 V CA -0.619 61.755 62.300 0.124 0.000 0.901 70 V CB 1.297 33.165 31.823 0.074 0.000 1.003 70 V HN 0.713 nan 8.190 nan 0.000 0.425 71 T N 4.116 118.715 114.554 0.076 0.000 2.837 71 T HA 0.404 4.753 4.350 -0.001 0.000 0.285 71 T C -0.303 174.428 174.700 0.051 0.000 0.984 71 T CA -0.054 62.084 62.100 0.063 0.000 1.049 71 T CB 1.183 70.078 68.868 0.044 0.000 0.947 71 T HN 0.908 nan 8.240 nan 0.000 0.472 72 Q N 2.536 122.379 119.800 0.071 0.000 2.508 72 Q HA 0.274 4.614 4.340 -0.001 0.000 0.247 72 Q C 0.704 176.779 176.000 0.126 0.000 1.047 72 Q CA -0.377 55.480 55.803 0.091 0.000 0.783 72 Q CB 0.436 29.240 28.738 0.111 0.000 1.172 72 Q HN 0.718 nan 8.270 nan 0.000 0.515 73 S N 2.615 118.384 115.700 0.116 0.000 2.372 73 S HA -0.175 4.295 4.470 -0.001 0.000 0.227 73 S C -0.024 174.640 174.600 0.107 0.000 1.044 73 S CA 1.457 59.716 58.200 0.098 0.000 1.050 73 S CB 0.034 63.283 63.200 0.082 0.000 0.901 73 S HN 0.641 nan 8.310 nan 0.000 0.447 74 E N 0.386 120.669 120.200 0.138 0.000 2.222 74 E HA 0.341 4.691 4.350 -0.001 0.000 0.267 74 E C -1.239 175.428 176.600 0.111 0.000 0.884 74 E CA -0.503 55.952 56.400 0.091 0.000 0.764 74 E CB 1.143 30.860 29.700 0.029 0.000 1.169 74 E HN -0.042 nan 8.360 nan 0.000 0.413 75 Q N 2.155 122.007 119.800 0.087 0.000 2.837 75 Q HA 0.152 4.491 4.340 -0.001 0.000 0.235 75 Q C 0.268 176.301 176.000 0.055 0.000 1.348 75 Q CA 0.246 56.111 55.803 0.102 0.000 0.990 75 Q CB -0.102 28.683 28.738 0.078 0.000 1.570 75 Q HN 0.493 nan 8.270 nan 0.000 0.575 76 L N -0.310 120.916 121.223 0.005 0.000 2.592 76 L HA 0.380 4.719 4.340 -0.001 0.000 0.227 76 L C 0.770 177.720 176.870 0.133 0.000 1.127 76 L CA -0.063 54.746 54.840 -0.052 0.000 0.884 76 L CB -0.028 41.796 42.059 -0.392 0.000 1.065 76 L HN 0.628 nan 8.230 nan 0.000 0.457 77 G N -0.835 108.083 108.800 0.196 0.000 2.334 77 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.566 77 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.566 77 G C 0.417 175.467 174.900 0.251 0.000 1.413 77 G CA -0.188 45.059 45.100 0.246 0.000 0.993 77 G HN 0.015 nan 8.290 nan 0.000 0.642 78 T N -1.723 112.965 114.554 0.223 0.000 2.788 78 T HA 0.060 4.409 4.350 -0.001 0.000 0.268 78 T C 2.513 177.302 174.700 0.149 0.000 1.044 78 T CA 2.301 64.508 62.100 0.177 0.000 1.139 78 T CB -0.408 68.559 68.868 0.165 0.000 0.867 78 T HN 1.720 nan 8.240 nan 0.000 0.454 79 G N 0.611 109.514 108.800 0.172 0.000 2.402 79 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.216 79 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.216 79 G C 1.514 176.447 174.900 0.055 0.000 1.162 79 G CA 0.743 45.896 45.100 0.089 0.000 0.777 79 G HN 0.691 nan 8.290 nan 0.000 0.539 80 H N 1.160 120.238 119.070 0.012 0.000 2.387 80 H HA -0.006 4.549 4.556 -0.002 0.000 0.299 80 H C 2.693 178.005 175.328 -0.026 0.000 1.090 80 H CA 1.371 57.362 56.048 -0.096 0.000 1.332 80 H CB -0.026 29.702 29.762 -0.057 0.000 1.386 80 H HN 0.304 nan 8.280 nan 0.000 0.516 81 A N 0.569 123.406 122.820 0.028 0.000 1.902 81 A HA -0.099 4.220 4.320 -0.001 0.000 0.217 81 A C 2.775 180.344 177.584 -0.024 0.000 1.181 81 A CA 1.526 53.563 52.037 0.000 0.000 0.623 81 A CB -0.844 18.213 19.000 0.096 0.000 0.818 81 A HN 0.308 nan 8.150 nan 0.000 0.443 82 V N -0.111 119.797 119.914 -0.011 0.000 2.626 82 V HA -0.275 3.844 4.120 -0.001 0.000 0.252 82 V C 2.517 178.606 176.094 -0.009 0.000 1.067 82 V CA 1.988 64.277 62.300 -0.017 0.000 1.081 82 V CB -0.764 31.009 31.823 -0.083 0.000 0.686 82 V HN 0.566 nan 8.190 nan 0.000 0.468 83 M N -1.092 118.464 119.600 -0.073 0.000 2.296 83 M HA -0.128 4.352 4.480 -0.001 0.000 0.265 83 M C 2.075 178.359 176.300 -0.026 0.000 1.064 83 M CA 1.401 56.679 55.300 -0.037 0.000 1.109 83 M CB -0.299 32.199 32.600 -0.171 0.000 1.396 83 M HN 0.257 nan 8.290 nan 0.000 0.430 84 M N -0.368 119.171 119.600 -0.102 0.000 2.460 84 M HA -0.063 4.416 4.480 -0.001 0.000 0.263 84 M C 2.099 178.404 176.300 0.008 0.000 1.071 84 M CA 1.429 56.684 55.300 -0.076 0.000 1.096 84 M CB -1.707 30.840 32.600 -0.089 0.000 1.408 84 M HN 0.356 nan 8.290 nan 0.000 0.463 85 T N -3.119 111.486 114.554 0.086 0.000 3.129 85 T HA 0.026 4.375 4.350 -0.001 0.000 0.251 85 T C 1.443 176.176 174.700 0.056 0.000 1.117 85 T CA 0.381 62.550 62.100 0.114 0.000 1.034 85 T CB -0.014 68.969 68.868 0.191 0.000 0.968 85 T HN 0.473 nan 8.240 nan 0.000 0.526 86 E N 2.059 122.266 120.200 0.011 0.000 2.038 86 E HA -0.088 4.261 4.350 -0.001 0.000 0.195 86 E C -0.743 175.648 176.600 -0.349 0.000 1.000 86 E CA 1.182 57.364 56.400 -0.363 0.000 0.803 86 E CB -0.768 28.814 29.700 -0.196 0.000 0.750 86 E HN 0.407 nan 8.360 nan 0.000 0.448 87 P HA -0.146 nan 4.420 nan 0.000 0.220 87 P C 0.896 178.105 177.300 -0.151 0.000 1.144 87 P CA 1.303 64.316 63.100 -0.146 0.000 0.800 87 P CB 0.033 31.683 31.700 -0.083 0.000 0.772 88 I N -2.661 117.817 120.570 -0.154 0.000 3.039 88 I HA -0.013 4.156 4.170 -0.001 0.000 0.270 88 I C 1.853 177.844 176.117 -0.210 0.000 1.150 88 I CA 0.707 61.926 61.300 -0.135 0.000 1.448 88 I CB -0.068 37.891 38.000 -0.069 0.000 1.197 88 I HN -0.158 nan 8.210 nan 0.000 0.450 89 L N 0.127 121.178 121.223 -0.287 0.000 2.513 89 L HA 0.109 4.448 4.340 -0.001 0.000 0.222 89 L C 0.786 177.328 176.870 -0.546 0.000 1.096 89 L CA -0.053 54.564 54.840 -0.372 0.000 0.857 89 L CB -0.027 41.959 42.059 -0.121 0.000 1.026 89 L HN 0.087 nan 8.230 nan 0.000 0.469 90 E N 0.898 120.625 120.200 -0.788 0.000 2.480 90 E HA 0.199 4.548 4.350 -0.001 0.000 0.258 90 E C 1.090 177.484 176.600 -0.342 0.000 0.984 90 E CA 1.204 57.168 56.400 -0.727 0.000 0.930 90 E CB 0.399 29.725 29.700 -0.623 0.000 0.936 90 E HN 0.320 nan 8.360 nan 0.000 0.466 91 G N 3.774 112.447 108.800 -0.212 0.000 2.358 91 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.224 91 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.224 91 G C 0.234 175.085 174.900 -0.082 0.000 1.073 91 G CA 0.006 45.038 45.100 -0.113 0.000 0.635 91 G HN 0.534 nan 8.290 nan 0.000 0.509 92 L N 1.511 122.648 121.223 -0.143 0.000 2.499 92 L HA 0.452 4.791 4.340 -0.001 0.000 0.281 92 L C 0.994 177.864 176.870 0.001 0.000 1.234 92 L CA 0.537 55.305 54.840 -0.120 0.000 0.839 92 L CB 1.095 42.931 42.059 -0.373 0.000 1.104 92 L HN 0.299 nan 8.230 nan 0.000 0.500 93 S N 0.778 116.544 115.700 0.110 0.000 2.437 93 S HA 0.817 5.287 4.470 -0.001 0.000 0.305 93 S C -0.166 174.585 174.600 0.253 0.000 1.109 93 S CA 0.185 58.471 58.200 0.143 0.000 1.099 93 S CB 0.933 64.181 63.200 0.079 0.000 1.004 93 S HN 0.905 nan 8.310 nan 0.000 0.475 94 G N 3.199 112.115 108.800 0.195 0.000 2.343 94 G HA2 0.214 4.173 3.960 -0.001 0.000 0.289 94 G HA3 0.214 4.173 3.960 -0.001 0.000 0.289 94 G C -2.071 172.812 174.900 -0.028 0.000 1.295 94 G CA -0.924 44.164 45.100 -0.019 0.000 0.869 94 G HN 0.693 nan 8.290 nan 0.000 0.522 95 H N 0.527 119.686 119.070 0.148 0.000 2.640 95 H HA 0.543 5.099 4.556 -0.001 0.000 0.297 95 H C -0.351 175.050 175.328 0.121 0.000 1.073 95 H CA -0.077 56.024 56.048 0.089 0.000 1.305 95 H CB 0.930 30.682 29.762 -0.017 0.000 1.404 95 H HN 0.344 nan 8.280 nan 0.000 0.459 96 T N 4.898 119.623 114.554 0.286 0.000 2.733 96 T HA 0.229 4.578 4.350 -0.001 0.000 0.294 96 T C 0.626 175.415 174.700 0.148 0.000 0.956 96 T CA -0.598 61.678 62.100 0.294 0.000 0.987 96 T CB 0.789 69.862 68.868 0.341 0.000 0.920 96 T HN 0.334 nan 8.240 nan 0.000 0.470 97 L N 5.247 126.533 121.223 0.105 0.000 2.292 97 L HA 0.625 4.964 4.340 -0.001 0.000 0.284 97 L C -0.846 176.086 176.870 0.103 0.000 1.065 97 L CA -0.398 54.462 54.840 0.033 0.000 0.806 97 L CB 0.662 42.720 42.059 -0.002 0.000 1.175 97 L HN 0.349 nan 8.230 nan 0.000 0.431 98 V N 7.141 127.128 119.914 0.122 0.000 2.409 98 V HA 0.497 4.617 4.120 -0.001 0.000 0.291 98 V C -0.247 175.960 176.094 0.188 0.000 1.020 98 V CA -0.409 62.023 62.300 0.220 0.000 0.848 98 V CB 1.544 33.596 31.823 0.382 0.000 0.990 98 V HN 0.688 nan 8.190 nan 0.000 0.430 99 I N 3.507 124.161 120.570 0.140 0.000 2.686 99 I HA 0.841 5.010 4.170 -0.001 0.000 0.295 99 I C 0.163 176.344 176.117 0.106 0.000 1.114 99 I CA -0.600 60.752 61.300 0.088 0.000 1.038 99 I CB 2.040 40.069 38.000 0.047 0.000 1.238 99 I HN 0.684 nan 8.210 nan 0.000 0.420 100 A N 3.937 126.807 122.820 0.083 0.000 2.322 100 A HA 0.529 4.848 4.320 -0.001 0.000 0.269 100 A C 0.955 178.594 177.584 0.091 0.000 1.094 100 A CA 0.142 52.233 52.037 0.090 0.000 0.807 100 A CB 0.706 19.747 19.000 0.068 0.000 1.047 100 A HN 0.995 nan 8.150 nan 0.000 0.487 101 G N -0.178 108.683 108.800 0.102 0.000 2.985 101 G HA2 0.121 4.080 3.960 -0.001 0.000 0.209 101 G HA3 0.121 4.080 3.960 -0.001 0.000 0.209 101 G C 0.253 175.215 174.900 0.103 0.000 1.165 101 G CA 0.881 46.049 45.100 0.114 0.000 0.776 101 G HN 0.817 nan 8.290 nan 0.000 0.541 102 D N -0.152 120.295 120.400 0.078 0.000 2.501 102 D HA 0.029 4.668 4.640 -0.001 0.000 0.226 102 D C 0.754 177.083 176.300 0.048 0.000 1.198 102 D CA -0.178 53.858 54.000 0.061 0.000 0.830 102 D CB -0.349 40.472 40.800 0.034 0.000 1.014 102 D HN 0.099 nan 8.370 nan 0.000 0.496 103 T N -1.554 113.033 114.554 0.055 0.000 3.401 103 T HA 0.326 4.676 4.350 -0.001 0.000 0.341 103 T C -1.918 172.806 174.700 0.040 0.000 1.674 103 T CA -1.290 60.834 62.100 0.041 0.000 1.600 103 T CB 1.601 70.487 68.868 0.030 0.000 0.974 103 T HN -0.184 nan 8.240 nan 0.000 0.672 104 P HA 0.108 nan 4.420 nan 0.000 0.237 104 P C 1.117 178.377 177.300 -0.066 0.000 1.178 104 P CA 0.159 63.268 63.100 0.015 0.000 0.766 104 P CB 0.229 31.921 31.700 -0.013 0.000 0.876 105 L N -1.021 120.174 121.223 -0.048 0.000 2.477 105 L HA 0.184 4.523 4.340 -0.001 0.000 0.220 105 L C 1.424 178.275 176.870 -0.032 0.000 1.106 105 L CA -0.159 54.645 54.840 -0.059 0.000 0.851 105 L CB -0.322 41.709 42.059 -0.047 0.000 0.994 105 L HN -0.160 nan 8.230 nan 0.000 0.462 106 I N 1.409 121.972 120.570 -0.013 0.000 2.598 106 I HA -0.034 4.135 4.170 -0.001 0.000 0.284 106 I C 0.995 177.111 176.117 -0.002 0.000 1.140 106 I CA 0.145 61.440 61.300 -0.009 0.000 1.420 106 I CB 0.703 38.697 38.000 -0.009 0.000 1.387 106 I HN 0.179 nan 8.210 nan 0.000 0.553 107 T N 1.992 116.541 114.554 -0.007 0.000 2.902 107 T HA 0.306 4.656 4.350 -0.001 0.000 0.280 107 T C 1.310 176.005 174.700 -0.009 0.000 0.992 107 T CA -0.332 61.765 62.100 -0.005 0.000 1.015 107 T CB 1.723 70.584 68.868 -0.013 0.000 1.044 107 T HN 0.717 nan 8.240 nan 0.000 0.520 108 G N -0.336 108.457 108.800 -0.012 0.000 2.432 108 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.219 108 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.219 108 G C 1.218 176.101 174.900 -0.028 0.000 1.135 108 G CA 0.785 45.869 45.100 -0.027 0.000 0.767 108 G HN 0.922 nan 8.290 nan 0.000 0.550 109 E N 0.357 120.545 120.200 -0.020 0.000 2.110 109 E HA -0.111 4.239 4.350 -0.001 0.000 0.193 109 E C 2.580 179.173 176.600 -0.012 0.000 0.988 109 E CA 1.145 57.534 56.400 -0.019 0.000 0.804 109 E CB -0.077 29.615 29.700 -0.014 0.000 0.745 109 E HN 0.382 nan 8.360 nan 0.000 0.458 110 S N 0.430 116.131 115.700 0.003 0.000 2.383 110 S HA -0.063 4.406 4.470 -0.001 0.000 0.227 110 S C 1.888 176.490 174.600 0.003 0.000 1.026 110 S CA 0.685 58.910 58.200 0.041 0.000 0.981 110 S CB -0.098 63.129 63.200 0.044 0.000 0.818 110 S HN 0.284 nan 8.310 nan 0.000 0.472 111 L N 0.957 122.164 121.223 -0.027 0.000 2.141 111 L HA -0.060 4.279 4.340 -0.001 0.000 0.209 111 L C 2.379 179.199 176.870 -0.084 0.000 1.094 111 L CA 1.060 55.867 54.840 -0.055 0.000 0.763 111 L CB -0.423 41.605 42.059 -0.051 0.000 0.908 111 L HN 0.244 nan 8.230 nan 0.000 0.437 112 K N 0.041 120.396 120.400 -0.076 0.000 2.057 112 K HA -0.104 4.216 4.320 -0.001 0.000 0.206 112 K C 1.869 178.392 176.600 -0.127 0.000 1.050 112 K CA 1.191 57.427 56.287 -0.085 0.000 0.935 112 K CB -0.127 32.336 32.500 -0.062 0.000 0.715 112 K HN 0.268 nan 8.250 nan 0.000 0.439 113 N N 1.314 119.916 118.700 -0.163 0.000 2.244 113 N HA -0.148 4.591 4.740 -0.001 0.000 0.183 113 N C 1.699 176.858 175.510 -0.586 0.000 1.016 113 N CA 0.714 53.574 53.050 -0.315 0.000 0.866 113 N CB -0.241 38.087 38.487 -0.266 0.000 0.980 113 N HN 0.061 nan 8.380 nan 0.000 0.430 114 L N 1.014 121.959 121.223 -0.462 0.000 2.027 114 L HA 0.052 4.391 4.340 -0.001 0.000 0.206 114 L C 1.914 178.683 176.870 -0.169 0.000 1.074 114 L CA 1.325 55.940 54.840 -0.375 0.000 0.745 114 L CB -0.498 41.473 42.059 -0.146 0.000 0.898 114 L HN 0.081 nan 8.230 nan 0.000 0.433 115 I N -0.370 120.119 120.570 -0.135 0.000 2.315 115 I HA -0.258 3.912 4.170 -0.001 0.000 0.248 115 I C 1.876 177.952 176.117 -0.069 0.000 1.117 115 I CA 1.238 62.480 61.300 -0.097 0.000 1.404 115 I CB -0.481 37.461 38.000 -0.097 0.000 1.071 115 I HN 0.310 nan 8.210 nan 0.000 0.419 116 D N 0.547 120.897 120.400 -0.084 0.000 2.144 116 D HA -0.210 4.429 4.640 -0.001 0.000 0.199 116 D C 1.874 178.165 176.300 -0.014 0.000 0.984 116 D CA 1.196 55.160 54.000 -0.061 0.000 0.834 116 D CB -0.311 40.447 40.800 -0.070 0.000 0.955 116 D HN 0.250 nan 8.370 nan 0.000 0.465 117 F N 0.592 120.431 119.950 -0.186 0.000 2.113 117 F HA -0.161 4.365 4.527 -0.001 0.000 0.297 117 F C 2.426 178.204 175.800 -0.038 0.000 1.103 117 F CA 1.591 59.514 58.000 -0.129 0.000 1.248 117 F CB -0.353 38.457 39.000 -0.315 0.000 0.999 117 F HN 0.015 nan 8.300 nan 0.000 0.475 118 H N 0.129 119.264 119.070 0.108 0.000 2.319 118 H HA -0.182 4.373 4.556 -0.001 0.000 0.299 118 H C 2.142 177.401 175.328 -0.115 0.000 1.092 118 H CA 2.847 58.902 56.048 0.011 0.000 1.302 118 H CB -0.411 29.309 29.762 -0.069 0.000 1.373 118 H HN 0.360 nan 8.280 nan 0.000 0.497 119 I N 0.159 120.657 120.570 -0.120 0.000 2.202 119 I HA -0.274 3.895 4.170 -0.001 0.000 0.242 119 I C 2.324 178.355 176.117 -0.143 0.000 1.091 119 I CA 1.406 62.587 61.300 -0.199 0.000 1.368 119 I CB -0.475 37.414 38.000 -0.184 0.000 1.058 119 I HN 0.426 nan 8.210 nan 0.000 0.410 120 N N 0.101 118.731 118.700 -0.117 0.000 2.069 120 N HA -0.201 4.539 4.740 -0.001 0.000 0.191 120 N C 1.616 176.987 175.510 -0.232 0.000 1.031 120 N CA 1.236 54.197 53.050 -0.148 0.000 0.852 120 N CB -0.223 38.187 38.487 -0.130 0.000 1.018 120 N HN 0.530 nan 8.380 nan 0.000 0.423 121 H N 0.710 119.558 119.070 -0.370 0.000 2.547 121 H HA 0.117 4.672 4.556 -0.001 0.000 0.266 121 H C 0.037 175.214 175.328 -0.252 0.000 0.988 121 H CA 0.267 56.107 56.048 -0.347 0.000 1.147 121 H CB 0.398 29.862 29.762 -0.496 0.000 1.365 121 H HN 0.126 nan 8.280 nan 0.000 0.589 122 K N 1.663 121.965 120.400 -0.164 0.000 3.278 122 K HA -0.151 4.169 4.320 -0.001 0.000 0.270 122 K C -0.581 175.894 176.600 -0.208 0.000 0.955 122 K CA -0.004 56.178 56.287 -0.175 0.000 0.723 122 K CB -1.077 31.358 32.500 -0.108 0.000 1.382 122 K HN 0.328 nan 8.250 nan 0.000 0.461 123 N N -0.077 118.404 118.700 -0.365 0.000 2.493 123 N HA 0.152 4.891 4.740 -0.001 0.000 0.275 123 N C 1.238 176.556 175.510 -0.320 0.000 1.186 123 N CA -0.519 52.351 53.050 -0.299 0.000 0.978 123 N CB 1.338 39.709 38.487 -0.194 0.000 1.184 123 N HN -0.086 nan 8.380 nan 0.000 0.487 124 V N -0.287 119.535 119.914 -0.153 0.000 3.052 124 V HA 0.244 4.363 4.120 -0.001 0.000 0.254 124 V C 0.524 176.615 176.094 -0.005 0.000 1.100 124 V CA 0.906 63.102 62.300 -0.173 0.000 1.112 124 V CB -0.428 31.118 31.823 -0.463 0.000 0.738 124 V HN 0.787 nan 8.190 nan 0.000 0.469 125 A N -0.830 122.064 122.820 0.123 0.000 2.488 125 A HA 0.684 5.003 4.320 -0.001 0.000 0.295 125 A C -0.524 177.240 177.584 0.300 0.000 1.045 125 A CA -0.265 51.988 52.037 0.360 0.000 0.703 125 A CB 1.508 20.844 19.000 0.560 0.000 1.271 125 A HN 0.073 nan 8.150 nan 0.000 0.400 126 T N 2.721 117.435 114.554 0.267 0.000 2.841 126 T HA 0.586 4.936 4.350 -0.001 0.000 0.285 126 T C -0.393 174.358 174.700 0.085 0.000 0.991 126 T CA -0.095 62.137 62.100 0.219 0.000 0.966 126 T CB 0.749 69.820 68.868 0.338 0.000 0.962 126 T HN 0.478 nan 8.240 nan 0.000 0.438 127 I N 3.105 123.727 120.570 0.088 0.000 2.392 127 I HA 0.392 4.562 4.170 -0.001 0.000 0.295 127 I C -0.404 175.658 176.117 -0.091 0.000 0.985 127 I CA -1.074 60.248 61.300 0.037 0.000 1.221 127 I CB 1.406 39.471 38.000 0.109 0.000 1.366 127 I HN 0.337 nan 8.210 nan 0.000 0.467 128 L N 7.235 128.350 121.223 -0.180 0.000 2.278 128 L HA 0.422 4.761 4.340 -0.001 0.000 0.287 128 L C 0.370 177.126 176.870 -0.190 0.000 1.072 128 L CA 0.567 55.316 54.840 -0.151 0.000 0.819 128 L CB 0.542 42.517 42.059 -0.140 0.000 1.176 128 L HN 0.826 nan 8.230 nan 0.000 0.435 129 T N 2.339 116.776 114.554 -0.196 0.000 2.883 129 T HA 1.017 5.367 4.350 -0.001 0.000 0.284 129 T C -0.386 174.185 174.700 -0.215 0.000 1.041 129 T CA -0.231 61.745 62.100 -0.206 0.000 1.007 129 T CB 1.810 70.565 68.868 -0.188 0.000 1.220 129 T HN 1.005 nan 8.240 nan 0.000 0.552 130 A N 0.070 122.717 122.820 -0.290 0.000 2.536 130 A HA 0.733 5.052 4.320 -0.001 0.000 0.293 130 A C -1.729 175.410 177.584 -0.741 0.000 1.119 130 A CA -1.012 50.760 52.037 -0.443 0.000 0.654 130 A CB 0.964 19.773 19.000 -0.317 0.000 1.291 130 A HN 0.880 nan 8.150 nan 0.000 0.439 131 E N -0.300 119.037 120.200 -1.437 0.000 2.266 131 E HA 0.658 5.007 4.350 -0.001 0.000 0.268 131 E C -1.269 174.821 176.600 -0.851 0.000 0.879 131 E CA -0.636 55.163 56.400 -1.002 0.000 0.762 131 E CB 2.377 31.588 29.700 -0.814 0.000 1.199 131 E HN 0.624 nan 8.360 nan 0.000 0.422 132 T N 0.635 114.906 114.554 -0.472 0.000 2.932 132 T HA 0.126 4.476 4.350 -0.001 0.000 0.318 132 T C -0.504 174.091 174.700 -0.175 0.000 1.265 132 T CA -0.614 61.310 62.100 -0.293 0.000 1.036 132 T CB 1.293 69.988 68.868 -0.289 0.000 1.209 132 T HN 0.295 nan 8.240 nan 0.000 0.484 133 D N 2.240 122.579 120.400 -0.102 0.000 2.348 133 D HA 0.034 4.673 4.640 -0.001 0.000 0.216 133 D C 0.429 176.710 176.300 -0.032 0.000 0.970 133 D CA 0.745 54.708 54.000 -0.061 0.000 0.889 133 D CB 0.231 41.008 40.800 -0.037 0.000 0.912 133 D HN 0.445 nan 8.370 nan 0.000 0.524 134 N N 0.501 119.191 118.700 -0.015 0.000 2.841 134 N HA 0.114 4.853 4.740 -0.001 0.000 0.257 134 N C -2.211 173.360 175.510 0.102 0.000 1.396 134 N CA -1.533 51.546 53.050 0.048 0.000 0.823 134 N CB 1.266 39.791 38.487 0.063 0.000 1.162 134 N HN -0.161 nan 8.380 nan 0.000 0.503 135 P HA 0.023 nan 4.420 nan 0.000 0.249 135 P C 0.108 177.566 177.300 0.264 0.000 1.241 135 P CA -0.296 62.877 63.100 0.121 0.000 0.781 135 P CB -0.330 31.364 31.700 -0.009 0.000 1.088 136 F N 2.204 122.217 119.950 0.105 0.000 2.612 136 F HA 0.278 4.805 4.527 -0.001 0.000 0.389 136 F C 1.542 177.336 175.800 -0.009 0.000 1.055 136 F CA 1.935 59.960 58.000 0.042 0.000 1.232 136 F CB 0.002 39.006 39.000 0.007 0.000 1.044 136 F HN 0.286 nan 8.300 nan 0.000 0.560 137 G N 3.651 111.865 108.800 -0.977 0.000 2.241 137 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.244 137 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.244 137 G C -0.162 174.412 174.900 -0.543 0.000 0.998 137 G CA 0.119 44.707 45.100 -0.853 0.000 0.621 137 G HN 0.712 nan 8.290 nan 0.000 0.519 138 Y N 1.154 121.301 120.300 -0.255 0.000 2.335 138 Y HA 0.546 5.095 4.550 -0.001 0.000 0.323 138 Y C 1.341 177.139 175.900 -0.169 0.000 1.224 138 Y CA -0.028 57.964 58.100 -0.180 0.000 1.241 138 Y CB 1.183 39.557 38.460 -0.142 0.000 1.235 138 Y HN 0.292 nan 8.280 nan 0.000 0.492 139 G N 2.832 111.651 108.800 0.031 0.000 2.406 139 G HA2 0.311 4.270 3.960 -0.001 0.000 0.251 139 G HA3 0.311 4.270 3.960 -0.001 0.000 0.251 139 G C -0.332 174.565 174.900 -0.005 0.000 1.271 139 G CA -0.797 44.288 45.100 -0.024 0.000 0.859 139 G HN 0.362 nan 8.290 nan 0.000 0.540 140 R N 1.325 121.813 120.500 -0.020 0.000 2.404 140 R HA 0.266 4.605 4.340 -0.001 0.000 0.291 140 R C -0.033 176.255 176.300 -0.020 0.000 1.025 140 R CA -0.984 55.095 56.100 -0.034 0.000 0.991 140 R CB 1.399 31.675 30.300 -0.041 0.000 1.053 140 R HN 0.290 nan 8.270 nan 0.000 0.479 141 I N 3.439 123.986 120.570 -0.039 0.000 2.301 141 I HA 0.131 4.300 4.170 -0.001 0.000 0.292 141 I C 0.224 176.337 176.117 -0.006 0.000 1.046 141 I CA -0.635 60.656 61.300 -0.015 0.000 1.282 141 I CB 0.812 38.788 38.000 -0.040 0.000 1.409 141 I HN 0.102 nan 8.210 nan 0.000 0.484 142 V N 8.461 128.391 119.914 0.026 0.000 2.383 142 V HA 0.416 4.536 4.120 -0.001 0.000 0.275 142 V C 0.565 176.691 176.094 0.054 0.000 1.036 142 V CA -0.617 61.709 62.300 0.044 0.000 0.889 142 V CB 0.984 32.848 31.823 0.068 0.000 0.985 142 V HN 0.674 nan 8.190 nan 0.000 0.459 143 R N 3.088 123.619 120.500 0.051 0.000 2.873 143 R HA 0.546 4.885 4.340 -0.001 0.000 0.264 143 R C -0.364 175.975 176.300 0.066 0.000 1.026 143 R CA -0.881 55.251 56.100 0.054 0.000 1.002 143 R CB 1.532 31.855 30.300 0.038 0.000 1.174 143 R HN 0.824 nan 8.270 nan 0.000 0.488 144 N N -0.577 118.160 118.700 0.061 0.000 2.620 144 N HA 0.008 4.747 4.740 -0.001 0.000 0.307 144 N C 0.160 175.703 175.510 0.054 0.000 1.316 144 N CA -0.358 52.728 53.050 0.059 0.000 0.931 144 N CB -0.144 38.374 38.487 0.052 0.000 1.116 144 N HN 0.550 nan 8.380 nan 0.000 0.573 145 D N -1.246 119.183 120.400 0.047 0.000 2.123 145 D HA -0.180 4.459 4.640 -0.001 0.000 0.196 145 D C 0.093 176.416 176.300 0.038 0.000 0.992 145 D CA 1.494 55.519 54.000 0.042 0.000 0.833 145 D CB -0.690 40.130 40.800 0.034 0.000 0.954 145 D HN 0.608 nan 8.370 nan 0.000 0.455 146 N N -0.243 118.480 118.700 0.038 0.000 2.389 146 N HA 0.437 5.176 4.740 -0.001 0.000 0.237 146 N C -0.124 175.412 175.510 0.043 0.000 1.148 146 N CA 0.470 53.543 53.050 0.038 0.000 0.854 146 N CB 0.598 39.107 38.487 0.036 0.000 1.115 146 N HN 0.299 nan 8.380 nan 0.000 0.492 147 A N 0.006 122.852 122.820 0.043 0.000 2.798 147 A HA -0.281 4.038 4.320 -0.001 0.000 0.282 147 A C -0.070 177.546 177.584 0.052 0.000 1.464 147 A CA 0.953 53.016 52.037 0.043 0.000 0.844 147 A CB -1.972 17.052 19.000 0.040 0.000 1.006 147 A HN 0.521 nan 8.150 nan 0.000 0.577 148 E N -0.350 119.884 120.200 0.056 0.000 2.227 148 E HA 0.432 4.781 4.350 -0.001 0.000 0.282 148 E C 0.062 176.702 176.600 0.067 0.000 1.015 148 E CA -0.740 55.699 56.400 0.065 0.000 0.823 148 E CB 1.532 31.270 29.700 0.063 0.000 1.081 148 E HN 0.293 nan 8.360 nan 0.000 0.396 149 V N 5.472 125.432 119.914 0.076 0.000 2.450 149 V HA -0.070 4.049 4.120 -0.001 0.000 0.281 149 V C 1.175 177.324 176.094 0.091 0.000 1.019 149 V CA 0.584 62.932 62.300 0.081 0.000 1.062 149 V CB 0.001 31.880 31.823 0.095 0.000 0.979 149 V HN 0.714 nan 8.190 nan 0.000 0.477 150 L N 4.964 126.237 121.223 0.084 0.000 2.286 150 L HA 0.327 4.667 4.340 -0.001 0.000 0.203 150 L C 1.056 177.982 176.870 0.093 0.000 1.068 150 L CA 0.595 55.486 54.840 0.085 0.000 0.811 150 L CB -0.080 42.023 42.059 0.074 0.000 0.989 150 L HN 0.815 nan 8.230 nan 0.000 0.467 151 R N -0.635 119.919 120.500 0.091 0.000 2.789 151 R HA 0.463 4.803 4.340 -0.001 0.000 0.279 151 R C -1.692 174.661 176.300 0.088 0.000 1.010 151 R CA -0.862 55.294 56.100 0.094 0.000 0.855 151 R CB 1.100 31.448 30.300 0.080 0.000 1.312 151 R HN -0.146 nan 8.270 nan 0.000 0.479 152 I N 1.516 122.141 120.570 0.091 0.000 2.418 152 I HA 0.370 4.539 4.170 -0.001 0.000 0.287 152 I C -0.726 175.424 176.117 0.055 0.000 1.008 152 I CA -1.248 60.098 61.300 0.077 0.000 1.104 152 I CB 2.095 40.161 38.000 0.111 0.000 1.264 152 I HN 0.364 nan 8.210 nan 0.000 0.438 153 V N 6.799 126.732 119.914 0.033 0.000 2.384 153 V HA 0.390 4.509 4.120 -0.001 0.000 0.287 153 V C 0.190 176.269 176.094 -0.025 0.000 1.020 153 V CA -0.357 61.958 62.300 0.025 0.000 0.850 153 V CB 1.535 33.383 31.823 0.043 0.000 0.987 153 V HN 0.597 nan 8.190 nan 0.000 0.436 154 E N 3.661 123.818 120.200 -0.071 0.000 2.408 154 E HA 0.024 4.373 4.350 -0.001 0.000 0.259 154 E C 0.683 177.227 176.600 -0.094 0.000 1.110 154 E CA 0.131 56.440 56.400 -0.152 0.000 0.929 154 E CB 1.061 30.570 29.700 -0.318 0.000 0.971 154 E HN 0.853 nan 8.360 nan 0.000 0.438 155 Q N 2.680 122.394 119.800 -0.143 0.000 2.045 155 Q HA -0.218 4.121 4.340 -0.001 0.000 0.206 155 Q C 1.310 177.266 176.000 -0.074 0.000 0.991 155 Q CA 2.126 57.843 55.803 -0.144 0.000 0.851 155 Q CB 0.004 28.551 28.738 -0.317 0.000 0.911 155 Q HN 0.386 nan 8.270 nan 0.000 0.418 156 K N -0.182 120.177 120.400 -0.068 0.000 2.442 156 K HA -0.095 4.225 4.320 -0.001 0.000 0.198 156 K C 0.708 177.327 176.600 0.033 0.000 1.042 156 K CA 1.116 57.400 56.287 -0.005 0.000 0.958 156 K CB 0.177 32.682 32.500 0.008 0.000 0.766 156 K HN 0.391 nan 8.250 nan 0.000 0.474 157 D N -0.045 120.378 120.400 0.039 0.000 2.449 157 D HA 0.067 4.706 4.640 -0.001 0.000 0.210 157 D C 0.156 176.486 176.300 0.051 0.000 1.094 157 D CA 0.076 54.114 54.000 0.063 0.000 0.846 157 D CB 0.553 41.421 40.800 0.113 0.000 1.003 157 D HN 0.069 nan 8.370 nan 0.000 0.504 158 A N 1.688 124.529 122.820 0.035 0.000 2.425 158 A HA 0.385 4.704 4.320 -0.001 0.000 0.249 158 A C 0.973 178.591 177.584 0.056 0.000 1.084 158 A CA -0.194 51.868 52.037 0.042 0.000 0.781 158 A CB 0.261 19.274 19.000 0.021 0.000 1.019 158 A HN 0.119 nan 8.150 nan 0.000 0.490 159 T N -0.222 114.379 114.554 0.078 0.000 2.788 159 T HA 0.268 4.617 4.350 -0.001 0.000 0.280 159 T C 0.384 175.142 174.700 0.098 0.000 0.984 159 T CA 0.350 62.506 62.100 0.092 0.000 0.972 159 T CB 0.430 69.371 68.868 0.121 0.000 1.039 159 T HN 0.513 nan 8.240 nan 0.000 0.530 160 D N -0.590 119.872 120.400 0.103 0.000 2.178 160 D HA 0.008 4.647 4.640 -0.001 0.000 0.201 160 D C 1.301 177.667 176.300 0.110 0.000 0.980 160 D CA 0.924 54.979 54.000 0.092 0.000 0.842 160 D CB -0.331 40.520 40.800 0.084 0.000 0.948 160 D HN 0.564 nan 8.370 nan 0.000 0.472 161 F N 1.515 121.474 119.950 0.014 0.000 2.163 161 F HA -0.051 4.475 4.527 -0.001 0.000 0.297 161 F C 1.923 177.729 175.800 0.010 0.000 1.094 161 F CA 1.247 59.253 58.000 0.011 0.000 1.290 161 F CB -0.020 38.985 39.000 0.009 0.000 1.017 161 F HN -0.122 nan 8.300 nan 0.000 0.483 162 E N 0.103 120.330 120.200 0.046 0.000 2.150 162 E HA -0.179 4.171 4.350 -0.001 0.000 0.193 162 E C 1.982 178.529 176.600 -0.089 0.000 0.985 162 E CA 0.995 57.366 56.400 -0.048 0.000 0.814 162 E CB -0.129 29.613 29.700 0.071 0.000 0.752 162 E HN 0.438 nan 8.360 nan 0.000 0.466 163 K N 0.476 120.852 120.400 -0.040 0.000 2.283 163 K HA -0.092 4.227 4.320 -0.001 0.000 0.202 163 K C 1.922 178.487 176.600 -0.058 0.000 1.048 163 K CA 0.663 56.937 56.287 -0.022 0.000 0.948 163 K CB 0.147 32.663 32.500 0.028 0.000 0.742 163 K HN 0.029 nan 8.250 nan 0.000 0.458 164 Q N 0.426 120.149 119.800 -0.128 0.000 2.435 164 Q HA 0.050 4.389 4.340 -0.001 0.000 0.207 164 Q C 0.541 176.431 176.000 -0.183 0.000 0.956 164 Q CA 0.502 56.213 55.803 -0.152 0.000 0.917 164 Q CB -0.019 28.600 28.738 -0.198 0.000 0.997 164 Q HN 0.378 nan 8.270 nan 0.000 0.497 165 I N 2.117 122.564 120.570 -0.205 0.000 2.598 165 I HA -0.087 4.082 4.170 -0.001 0.000 0.284 165 I C 1.302 177.334 176.117 -0.142 0.000 1.140 165 I CA 0.107 61.297 61.300 -0.184 0.000 1.420 165 I CB 0.542 38.443 38.000 -0.164 0.000 1.387 165 I HN -0.191 nan 8.210 nan 0.000 0.553 166 K N 4.508 124.816 120.400 -0.152 0.000 2.323 166 K HA 0.057 4.376 4.320 -0.001 0.000 0.197 166 K C 0.518 176.980 176.600 -0.229 0.000 1.043 166 K CA 0.358 56.542 56.287 -0.172 0.000 0.997 166 K CB -0.001 32.400 32.500 -0.166 0.000 0.807 166 K HN 0.562 nan 8.250 nan 0.000 0.497 167 E N 2.195 122.271 120.200 -0.207 0.000 2.217 167 E HA 0.121 4.471 4.350 -0.001 0.000 0.279 167 E C -0.341 176.134 176.600 -0.209 0.000 1.068 167 E CA -0.241 56.020 56.400 -0.232 0.000 0.882 167 E CB 0.248 29.845 29.700 -0.172 0.000 1.039 167 E HN 0.150 nan 8.360 nan 0.000 0.418 168 I N 1.263 121.667 120.570 -0.277 0.000 2.750 168 I HA 0.486 4.655 4.170 -0.001 0.000 0.308 168 I C -0.291 175.706 176.117 -0.200 0.000 1.016 168 I CA -1.304 59.850 61.300 -0.243 0.000 1.098 168 I CB 1.634 39.374 38.000 -0.434 0.000 1.279 168 I HN 0.289 nan 8.210 nan 0.000 0.454 169 N N 1.915 120.552 118.700 -0.105 0.000 2.444 169 N HA 0.193 4.932 4.740 -0.001 0.000 0.271 169 N C 0.761 176.213 175.510 -0.097 0.000 1.069 169 N CA 0.009 53.003 53.050 -0.093 0.000 0.965 169 N CB 1.353 39.834 38.487 -0.010 0.000 1.092 169 N HN 0.812 nan 8.380 nan 0.000 0.476 170 T N 0.506 114.953 114.554 -0.179 0.000 3.088 170 T HA 0.199 4.548 4.350 -0.001 0.000 0.259 170 T C 1.284 175.897 174.700 -0.146 0.000 1.122 170 T CA 0.454 62.473 62.100 -0.136 0.000 1.095 170 T CB -0.441 68.333 68.868 -0.158 0.000 0.930 170 T HN 0.767 nan 8.240 nan 0.000 0.508 171 G N 0.499 109.121 108.800 -0.297 0.000 2.176 171 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.253 171 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.253 171 G C 0.128 174.738 174.900 -0.483 0.000 0.979 171 G CA 0.151 45.079 45.100 -0.288 0.000 0.641 171 G HN 0.743 nan 8.290 nan 0.000 0.530 172 T N 0.510 114.681 114.554 -0.638 0.000 2.797 172 T HA 0.715 5.064 4.350 -0.001 0.000 0.279 172 T C -0.769 173.528 174.700 -0.671 0.000 0.991 172 T CA -0.156 61.672 62.100 -0.453 0.000 0.979 172 T CB 1.424 70.164 68.868 -0.214 0.000 0.943 172 T HN 0.365 nan 8.240 nan 0.000 0.444 173 Y N 0.119 120.296 120.300 -0.205 0.000 2.677 173 Y HA 0.720 5.270 4.550 -0.001 0.000 0.334 173 Y C -0.698 174.881 175.900 -0.536 0.000 1.154 173 Y CA -1.478 56.364 58.100 -0.431 0.000 1.070 173 Y CB 1.201 39.182 38.460 -0.798 0.000 1.294 173 Y HN 0.284 nan 8.280 nan 0.000 0.475 174 V N 2.178 121.806 119.914 -0.477 0.000 2.525 174 V HA 0.502 4.621 4.120 -0.001 0.000 0.299 174 V C -1.352 174.388 176.094 -0.590 0.000 1.034 174 V CA -0.816 61.180 62.300 -0.506 0.000 0.863 174 V CB 1.082 32.569 31.823 -0.559 0.000 0.999 174 V HN 0.535 nan 8.190 nan 0.000 0.423 175 F N 1.407 121.326 119.950 -0.052 0.000 2.538 175 F HA 0.478 5.004 4.527 -0.002 0.000 0.325 175 F C 0.297 176.169 175.800 0.120 0.000 1.066 175 F CA -1.385 56.659 58.000 0.075 0.000 0.946 175 F CB 1.397 40.460 39.000 0.105 0.000 1.199 175 F HN 0.522 nan 8.300 nan 0.000 0.473 176 D N 1.254 121.897 120.400 0.404 0.000 2.358 176 D HA 0.047 4.686 4.640 -0.001 0.000 0.258 176 D C 1.081 177.549 176.300 0.280 0.000 1.223 176 D CA 0.302 54.504 54.000 0.336 0.000 0.886 176 D CB 0.534 41.468 40.800 0.224 0.000 1.120 176 D HN 0.527 nan 8.370 nan 0.000 0.482 177 N N 3.324 122.193 118.700 0.282 0.000 2.060 177 N HA -0.253 4.486 4.740 -0.001 0.000 0.195 177 N C 1.083 176.764 175.510 0.285 0.000 1.028 177 N CA 1.703 54.921 53.050 0.279 0.000 0.861 177 N CB 0.143 38.786 38.487 0.261 0.000 1.029 177 N HN 0.577 nan 8.380 nan 0.000 0.428 178 E N -0.819 119.509 120.200 0.213 0.000 2.051 178 E HA -0.113 4.236 4.350 -0.001 0.000 0.192 178 E C 1.864 178.582 176.600 0.197 0.000 0.991 178 E CA 0.744 57.255 56.400 0.184 0.000 0.799 178 E CB 0.035 29.807 29.700 0.120 0.000 0.748 178 E HN 0.277 nan 8.360 nan 0.000 0.449 179 R N 0.527 121.137 120.500 0.184 0.000 2.193 179 R HA -0.034 4.306 4.340 -0.001 0.000 0.213 179 R C 2.303 178.781 176.300 0.296 0.000 1.055 179 R CA 0.302 56.535 56.100 0.223 0.000 0.995 179 R CB -0.621 29.772 30.300 0.154 0.000 0.893 179 R HN 0.189 nan 8.270 nan 0.000 0.459 180 L N 0.235 121.573 121.223 0.192 0.000 1.976 180 L HA -0.089 4.250 4.340 -0.001 0.000 0.209 180 L C 1.789 178.499 176.870 -0.266 0.000 1.071 180 L CA 1.804 56.595 54.840 -0.081 0.000 0.746 180 L CB -0.719 41.161 42.059 -0.299 0.000 0.890 180 L HN -0.045 nan 8.230 nan 0.000 0.432 181 F N 0.102 120.037 119.950 -0.025 0.000 2.365 181 F HA -0.112 4.415 4.527 -0.001 0.000 0.300 181 F C 2.407 178.175 175.800 -0.055 0.000 1.090 181 F CA 1.308 59.273 58.000 -0.058 0.000 1.408 181 F CB -0.461 38.510 39.000 -0.049 0.000 1.060 181 F HN 0.250 nan 8.300 nan 0.000 0.534 182 E N -0.118 120.154 120.200 0.121 0.000 2.170 182 E HA -0.049 4.300 4.350 -0.001 0.000 0.191 182 E C 2.362 178.954 176.600 -0.013 0.000 0.981 182 E CA 0.745 57.184 56.400 0.067 0.000 0.830 182 E CB -0.197 29.557 29.700 0.090 0.000 0.775 182 E HN 0.335 nan 8.360 nan 0.000 0.470 183 A N 0.909 123.679 122.820 -0.084 0.000 2.014 183 A HA -0.057 4.262 4.320 -0.001 0.000 0.218 183 A C 2.071 179.491 177.584 -0.273 0.000 1.163 183 A CA 0.596 52.476 52.037 -0.263 0.000 0.652 183 A CB -0.372 18.223 19.000 -0.676 0.000 0.808 183 A HN 0.125 nan 8.150 nan 0.000 0.449 184 L N -0.661 120.419 121.223 -0.238 0.000 2.141 184 L HA -0.168 4.171 4.340 -0.001 0.000 0.209 184 L C 2.270 179.080 176.870 -0.101 0.000 1.094 184 L CA 1.343 56.063 54.840 -0.199 0.000 0.763 184 L CB -0.330 41.608 42.059 -0.202 0.000 0.908 184 L HN 0.347 nan 8.230 nan 0.000 0.437 185 K N -0.137 120.225 120.400 -0.063 0.000 2.362 185 K HA -0.076 4.243 4.320 -0.001 0.000 0.200 185 K C 1.191 177.783 176.600 -0.014 0.000 1.046 185 K CA 0.731 57.002 56.287 -0.027 0.000 0.952 185 K CB -0.087 32.408 32.500 -0.008 0.000 0.753 185 K HN 0.317 nan 8.250 nan 0.000 0.466 186 N N 0.671 119.347 118.700 -0.040 0.000 2.280 186 N HA 0.088 4.828 4.740 -0.001 0.000 0.192 186 N C 0.119 175.619 175.510 -0.016 0.000 1.109 186 N CA 0.263 53.295 53.050 -0.030 0.000 0.855 186 N CB 0.399 38.853 38.487 -0.055 0.000 0.974 186 N HN 0.145 nan 8.380 nan 0.000 0.482 187 I N 1.146 121.724 120.570 0.014 0.000 2.496 187 I HA 0.027 4.196 4.170 -0.001 0.000 0.285 187 I C 0.768 176.955 176.117 0.117 0.000 1.080 187 I CA 0.062 61.400 61.300 0.062 0.000 1.404 187 I CB 0.446 38.522 38.000 0.128 0.000 1.403 187 I HN 0.022 nan 8.210 nan 0.000 0.539 188 N N 3.087 121.763 118.700 -0.040 0.000 2.432 188 N HA 0.267 5.006 4.740 -0.001 0.000 0.292 188 N C 0.440 175.711 175.510 -0.400 0.000 1.193 188 N CA -0.434 52.519 53.050 -0.161 0.000 0.878 188 N CB 1.959 40.377 38.487 -0.116 0.000 1.252 188 N HN 0.648 nan 8.380 nan 0.000 0.520 189 T N -1.578 112.678 114.554 -0.497 0.000 3.163 189 T HA 0.060 4.410 4.350 -0.001 0.000 0.252 189 T C 0.448 174.931 174.700 -0.362 0.000 1.056 189 T CA -0.225 61.539 62.100 -0.560 0.000 0.947 189 T CB -0.697 67.828 68.868 -0.571 0.000 1.016 189 T HN 0.420 nan 8.240 nan 0.000 0.554 190 N N 3.529 122.067 118.700 -0.270 0.000 2.819 190 N HA 0.193 4.932 4.740 -0.001 0.000 0.284 190 N C -0.651 174.750 175.510 -0.182 0.000 1.196 190 N CA -0.288 52.652 53.050 -0.184 0.000 1.114 190 N CB -0.600 37.814 38.487 -0.123 0.000 1.437 190 N HN 0.806 nan 8.380 nan 0.000 0.518 191 N N -0.507 118.071 118.700 -0.203 0.000 3.046 191 N HA 0.357 5.096 4.740 -0.001 0.000 0.243 191 N C 0.293 175.749 175.510 -0.090 0.000 1.452 191 N CA -0.554 52.406 53.050 -0.149 0.000 0.882 191 N CB 0.291 38.614 38.487 -0.273 0.000 1.425 191 N HN -0.042 nan 8.380 nan 0.000 0.517 192 A N -0.672 122.147 122.820 -0.002 0.000 1.986 192 A HA -0.210 4.110 4.320 -0.001 0.000 0.220 192 A C 1.501 179.089 177.584 0.007 0.000 1.171 192 A CA 1.556 53.602 52.037 0.015 0.000 0.640 192 A CB -0.642 18.387 19.000 0.048 0.000 0.811 192 A HN 0.629 nan 8.150 nan 0.000 0.451 193 Q N -2.129 117.683 119.800 0.020 0.000 2.402 193 Q HA 0.167 4.507 4.340 -0.001 0.000 0.206 193 Q C 1.227 177.184 176.000 -0.073 0.000 0.919 193 Q CA 0.815 56.625 55.803 0.012 0.000 0.923 193 Q CB 0.041 28.852 28.738 0.122 0.000 1.048 193 Q HN 1.019 nan 8.270 nan 0.000 0.515 194 G N 2.017 110.718 108.800 -0.165 0.000 2.246 194 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.273 194 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.273 194 G C -0.263 174.473 174.900 -0.273 0.000 1.055 194 G CA 0.561 45.531 45.100 -0.217 0.000 0.851 194 G HN 0.327 nan 8.290 nan 0.000 0.500 195 E N -1.535 118.458 120.200 -0.345 0.000 2.299 195 E HA 0.557 4.906 4.350 -0.001 0.000 0.260 195 E C -0.903 175.435 176.600 -0.437 0.000 0.944 195 E CA -1.160 55.078 56.400 -0.271 0.000 0.815 195 E CB 1.180 30.877 29.700 -0.005 0.000 1.252 195 E HN 0.197 nan 8.360 nan 0.000 0.418 196 Y N 1.258 121.494 120.300 -0.107 0.000 2.535 196 Y HA 0.146 4.696 4.550 0.000 0.000 0.349 196 Y C -0.526 175.423 175.900 0.082 0.000 0.992 196 Y CA -0.483 57.581 58.100 -0.061 0.000 1.248 196 Y CB -0.028 38.444 38.460 0.021 0.000 1.124 196 Y HN 0.319 nan 8.280 nan 0.000 0.520 197 Y N 3.052 123.400 120.300 0.080 0.000 2.359 197 Y HA 0.029 4.578 4.550 -0.002 0.000 0.330 197 Y C 1.157 177.071 175.900 0.023 0.000 1.143 197 Y CA -1.202 56.927 58.100 0.050 0.000 1.318 197 Y CB 0.509 38.979 38.460 0.018 0.000 1.234 197 Y HN 0.592 nan 8.280 nan 0.000 0.522 198 I N 2.104 122.777 120.570 0.172 0.000 2.617 198 I HA -0.172 3.998 4.170 -0.001 0.000 0.256 198 I C 2.140 178.225 176.117 -0.053 0.000 1.167 198 I CA 1.597 62.899 61.300 0.003 0.000 1.469 198 I CB -0.556 37.444 38.000 -0.000 0.000 1.098 198 I HN 0.780 nan 8.210 nan 0.000 0.436 199 T N -2.647 111.944 114.554 0.062 0.000 2.897 199 T HA -0.160 4.189 4.350 -0.001 0.000 0.271 199 T C 1.597 176.336 174.700 0.066 0.000 1.084 199 T CA 1.429 63.579 62.100 0.084 0.000 1.123 199 T CB -0.595 68.324 68.868 0.085 0.000 0.865 199 T HN 0.260 nan 8.240 nan 0.000 0.496 200 D N 1.399 121.842 120.400 0.071 0.000 2.269 200 D HA -0.030 4.610 4.640 -0.001 0.000 0.208 200 D C 2.348 178.591 176.300 -0.094 0.000 0.963 200 D CA 0.947 54.964 54.000 0.029 0.000 0.864 200 D CB -0.221 40.609 40.800 0.049 0.000 0.936 200 D HN 0.536 nan 8.370 nan 0.000 0.505 201 V N -1.101 118.687 119.914 -0.210 0.000 2.720 201 V HA -0.181 3.938 4.120 -0.001 0.000 0.256 201 V C 2.046 177.917 176.094 -0.372 0.000 1.082 201 V CA 0.860 62.873 62.300 -0.479 0.000 1.101 201 V CB -0.535 30.840 31.823 -0.748 0.000 0.693 201 V HN 0.037 nan 8.190 nan 0.000 0.479 202 I N 2.373 122.924 120.570 -0.031 0.000 2.202 202 I HA -0.054 4.116 4.170 -0.001 0.000 0.242 202 I C 2.797 178.989 176.117 0.125 0.000 1.091 202 I CA 1.900 63.305 61.300 0.176 0.000 1.368 202 I CB -2.011 36.109 38.000 0.200 0.000 1.058 202 I HN 0.440 nan 8.210 nan 0.000 0.410 203 G N 1.033 109.864 108.800 0.051 0.000 2.408 203 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.217 203 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.217 203 G C 1.838 176.748 174.900 0.017 0.000 1.150 203 G CA 0.338 45.466 45.100 0.047 0.000 0.776 203 G HN 0.334 nan 8.290 nan 0.000 0.542 204 I N -0.112 120.412 120.570 -0.077 0.000 2.286 204 I HA -0.130 4.039 4.170 -0.001 0.000 0.248 204 I C 2.341 178.432 176.117 -0.043 0.000 1.115 204 I CA 0.784 62.009 61.300 -0.124 0.000 1.392 204 I CB -0.246 37.591 38.000 -0.272 0.000 1.065 204 I HN 0.027 nan 8.210 nan 0.000 0.418 205 F N 0.763 120.723 119.950 0.017 0.000 2.234 205 F HA -0.122 4.404 4.527 -0.001 0.000 0.299 205 F C 2.620 178.445 175.800 0.041 0.000 1.087 205 F CA 1.151 59.170 58.000 0.032 0.000 1.340 205 F CB -0.776 38.258 39.000 0.056 0.000 1.031 205 F HN -0.048 nan 8.300 nan 0.000 0.500 206 R N 0.608 121.247 120.500 0.231 0.000 2.189 206 R HA -0.124 4.215 4.340 -0.001 0.000 0.223 206 R C 1.900 178.263 176.300 0.105 0.000 1.092 206 R CA 1.064 57.253 56.100 0.148 0.000 0.989 206 R CB -0.140 30.233 30.300 0.121 0.000 0.876 206 R HN 0.336 nan 8.270 nan 0.000 0.457 207 E N -0.673 119.583 120.200 0.092 0.000 2.110 207 E HA -0.134 4.216 4.350 -0.001 0.000 0.193 207 E C 1.066 177.707 176.600 0.068 0.000 0.988 207 E CA 1.690 58.129 56.400 0.064 0.000 0.804 207 E CB 0.114 29.840 29.700 0.044 0.000 0.745 207 E HN 0.413 nan 8.360 nan 0.000 0.458 208 T N -2.595 112.015 114.554 0.093 0.000 3.223 208 T HA 0.360 4.709 4.350 -0.001 0.000 0.259 208 T C 1.194 175.941 174.700 0.079 0.000 1.015 208 T CA 0.092 62.242 62.100 0.083 0.000 0.908 208 T CB 0.566 69.492 68.868 0.097 0.000 1.054 208 T HN 0.225 nan 8.240 nan 0.000 0.567 209 G N 1.661 110.508 108.800 0.079 0.000 2.258 209 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.274 209 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.274 209 G C -0.237 174.700 174.900 0.060 0.000 1.021 209 G CA 0.050 45.189 45.100 0.066 0.000 0.798 209 G HN 0.697 nan 8.290 nan 0.000 0.507 210 E N -0.090 120.157 120.200 0.080 0.000 2.338 210 E HA 0.266 4.616 4.350 -0.001 0.000 0.272 210 E C 0.570 177.179 176.600 0.015 0.000 1.029 210 E CA -0.501 55.916 56.400 0.028 0.000 0.872 210 E CB 0.912 30.610 29.700 -0.002 0.000 1.015 210 E HN 0.282 nan 8.360 nan 0.000 0.417 211 K N 2.441 122.827 120.400 -0.022 0.000 2.419 211 K HA 0.057 4.376 4.320 -0.001 0.000 0.282 211 K C -0.632 175.969 176.600 0.002 0.000 1.056 211 K CA -0.139 56.145 56.287 -0.005 0.000 1.035 211 K CB 0.180 32.666 32.500 -0.023 0.000 0.921 211 K HN 0.310 nan 8.250 nan 0.000 0.472 212 V N 1.137 121.092 119.914 0.069 0.000 2.588 212 V HA 0.870 4.989 4.120 -0.001 0.000 0.304 212 V C 0.007 176.182 176.094 0.136 0.000 1.042 212 V CA -0.656 61.718 62.300 0.123 0.000 0.877 212 V CB 1.623 33.559 31.823 0.188 0.000 0.996 212 V HN 0.787 nan 8.190 nan 0.000 0.425 213 G N 2.150 111.049 108.800 0.165 0.000 3.015 213 G HA2 0.969 4.929 3.960 -0.001 0.000 0.281 213 G HA3 0.969 4.929 3.960 -0.001 0.000 0.281 213 G C -0.967 174.013 174.900 0.133 0.000 1.386 213 G CA -0.575 44.636 45.100 0.185 0.000 0.959 213 G HN 1.760 nan 8.290 nan 0.000 0.522 214 A N -0.827 122.022 122.820 0.048 0.000 2.408 214 A HA 0.607 4.926 4.320 -0.001 0.000 0.295 214 A C -1.935 175.417 177.584 -0.386 0.000 1.040 214 A CA -0.515 51.461 52.037 -0.103 0.000 0.707 214 A CB 1.380 20.343 19.000 -0.062 0.000 1.235 214 A HN 1.163 nan 8.150 nan 0.000 0.418 215 Y N 2.105 122.020 120.300 -0.640 0.000 2.328 215 Y HA 0.591 5.141 4.550 -0.001 0.000 0.337 215 Y C 0.066 175.721 175.900 -0.408 0.000 1.008 215 Y CA -0.203 57.374 58.100 -0.872 0.000 1.129 215 Y CB 1.470 39.376 38.460 -0.923 0.000 1.185 215 Y HN 0.583 nan 8.280 nan 0.000 0.476 216 T N 7.601 121.585 114.554 -0.950 0.000 2.806 216 T HA 0.357 4.706 4.350 -0.001 0.000 0.290 216 T C 0.017 174.241 174.700 -0.792 0.000 0.966 216 T CA -0.538 61.185 62.100 -0.629 0.000 1.060 216 T CB 0.396 69.087 68.868 -0.296 0.000 0.927 216 T HN 0.584 nan 8.240 nan 0.000 0.485 217 L N 3.606 124.606 121.223 -0.372 0.000 2.490 217 L HA 0.113 4.452 4.340 -0.001 0.000 0.274 217 L C 1.788 178.503 176.870 -0.259 0.000 1.201 217 L CA -0.010 54.689 54.840 -0.235 0.000 0.869 217 L CB 0.519 42.559 42.059 -0.033 0.000 1.123 217 L HN 0.710 nan 8.230 nan 0.000 0.484 218 K N 0.851 121.103 120.400 -0.247 0.000 2.103 218 K HA -0.077 4.242 4.320 -0.001 0.000 0.204 218 K C 0.143 176.495 176.600 -0.413 0.000 1.052 218 K CA 0.852 56.963 56.287 -0.292 0.000 0.945 218 K CB 0.044 32.449 32.500 -0.159 0.000 0.722 218 K HN 0.478 nan 8.250 nan 0.000 0.443 219 D N -0.408 119.819 120.400 -0.288 0.000 2.441 219 D HA 0.079 4.719 4.640 -0.001 0.000 0.231 219 D C 0.168 176.390 176.300 -0.130 0.000 1.073 219 D CA -0.580 53.263 54.000 -0.262 0.000 0.850 219 D CB 0.560 41.268 40.800 -0.154 0.000 1.062 219 D HN -0.176 nan 8.370 nan 0.000 0.524 220 F N 1.406 121.285 119.950 -0.120 0.000 2.451 220 F HA -0.046 4.480 4.527 -0.001 0.000 0.299 220 F C 1.779 177.509 175.800 -0.116 0.000 1.101 220 F CA 0.354 58.275 58.000 -0.132 0.000 1.436 220 F CB -0.359 38.562 39.000 -0.133 0.000 1.074 220 F HN 0.382 nan 8.300 nan 0.000 0.553 221 D N 0.165 120.603 120.400 0.064 0.000 2.264 221 D HA -0.137 4.503 4.640 -0.001 0.000 0.208 221 D C 1.913 178.212 176.300 -0.001 0.000 0.966 221 D CA 0.870 54.879 54.000 0.015 0.000 0.864 221 D CB -0.301 40.486 40.800 -0.021 0.000 0.933 221 D HN 0.396 nan 8.370 nan 0.000 0.499 222 E N 0.114 120.311 120.200 -0.005 0.000 2.347 222 E HA -0.077 4.272 4.350 -0.001 0.000 0.196 222 E C 1.812 178.403 176.600 -0.014 0.000 1.008 222 E CA 0.627 57.017 56.400 -0.016 0.000 0.852 222 E CB 0.038 29.724 29.700 -0.022 0.000 0.783 222 E HN 0.236 nan 8.360 nan 0.000 0.505 223 S N 0.677 116.366 115.700 -0.019 0.000 2.522 223 S HA -0.057 4.413 4.470 -0.001 0.000 0.227 223 S C 0.924 175.522 174.600 -0.004 0.000 0.986 223 S CA -0.295 57.869 58.200 -0.059 0.000 0.929 223 S CB -0.263 62.839 63.200 -0.162 0.000 0.769 223 S HN 0.128 nan 8.310 nan 0.000 0.529 224 L N 3.009 124.254 121.223 0.036 0.000 2.667 224 L HA 0.355 4.694 4.340 -0.001 0.000 0.278 224 L C 0.552 177.509 176.870 0.144 0.000 1.217 224 L CA 0.637 55.548 54.840 0.119 0.000 0.935 224 L CB -0.258 41.840 42.059 0.066 0.000 1.193 224 L HN 0.268 nan 8.230 nan 0.000 0.493 225 G N 5.067 114.006 108.800 0.231 0.000 2.370 225 G HA2 0.514 4.474 3.960 -0.001 0.000 0.317 225 G HA3 0.514 4.474 3.960 -0.001 0.000 0.317 225 G C -0.989 173.901 174.900 -0.017 0.000 1.162 225 G CA -0.546 44.601 45.100 0.077 0.000 0.922 225 G HN 0.501 nan 8.290 nan 0.000 0.454 226 V N 3.783 123.690 119.914 -0.012 0.000 2.339 226 V HA 0.140 4.259 4.120 -0.001 0.000 0.261 226 V C 0.285 176.345 176.094 -0.058 0.000 1.058 226 V CA -0.628 61.656 62.300 -0.027 0.000 0.897 226 V CB 0.774 32.594 31.823 -0.004 0.000 1.052 226 V HN 0.716 nan 8.190 nan 0.000 0.480 227 N N 2.752 121.401 118.700 -0.085 0.000 2.348 227 N HA 0.080 4.820 4.740 -0.001 0.000 0.183 227 N C 0.243 175.704 175.510 -0.081 0.000 1.094 227 N CA 0.279 53.275 53.050 -0.092 0.000 0.885 227 N CB 0.694 39.106 38.487 -0.124 0.000 1.065 227 N HN 0.864 nan 8.380 nan 0.000 0.472 228 D N -1.811 118.548 120.400 -0.070 0.000 2.744 228 D HA 0.272 4.911 4.640 -0.001 0.000 0.304 228 D C 0.531 176.793 176.300 -0.062 0.000 1.179 228 D CA -0.597 53.364 54.000 -0.065 0.000 1.024 228 D CB 0.926 41.706 40.800 -0.033 0.000 1.453 228 D HN -0.271 nan 8.370 nan 0.000 0.529 229 R N -0.476 119.993 120.500 -0.052 0.000 2.235 229 R HA 0.091 4.430 4.340 -0.001 0.000 0.213 229 R C 1.677 177.974 176.300 -0.006 0.000 1.059 229 R CA 0.399 56.480 56.100 -0.032 0.000 0.997 229 R CB -0.229 30.061 30.300 -0.018 0.000 0.884 229 R HN 0.241 nan 8.270 nan 0.000 0.462 230 V N 0.871 120.782 119.914 -0.004 0.000 2.379 230 V HA -0.179 3.940 4.120 -0.001 0.000 0.245 230 V C 2.406 178.508 176.094 0.013 0.000 1.044 230 V CA 1.997 64.302 62.300 0.008 0.000 1.036 230 V CB -0.481 31.348 31.823 0.009 0.000 0.664 230 V HN 0.353 nan 8.190 nan 0.000 0.453 231 A N -0.274 122.550 122.820 0.006 0.000 1.930 231 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 231 A C 2.128 179.719 177.584 0.013 0.000 1.175 231 A CA 1.711 53.756 52.037 0.013 0.000 0.627 231 A CB -0.500 18.499 19.000 -0.001 0.000 0.815 231 A HN 0.444 nan 8.150 nan 0.000 0.443 232 L N -0.187 121.038 121.223 0.004 0.000 2.083 232 L HA -0.073 4.267 4.340 -0.001 0.000 0.209 232 L C 2.617 179.506 176.870 0.031 0.000 1.083 232 L CA 2.099 56.949 54.840 0.017 0.000 0.752 232 L CB -0.594 41.473 42.059 0.012 0.000 0.899 232 L HN 0.329 nan 8.230 nan 0.000 0.433 233 A N -1.837 121.000 122.820 0.029 0.000 1.969 233 A HA -0.165 4.155 4.320 -0.001 0.000 0.218 233 A C 2.247 179.853 177.584 0.036 0.000 1.169 233 A CA 2.068 54.127 52.037 0.037 0.000 0.635 233 A CB -1.052 17.967 19.000 0.032 0.000 0.810 233 A HN 0.498 nan 8.150 nan 0.000 0.445 234 T N 0.196 114.767 114.554 0.030 0.000 2.777 234 T HA 0.027 4.377 4.350 -0.001 0.000 0.266 234 T C 2.230 176.942 174.700 0.020 0.000 1.040 234 T CA 1.379 63.495 62.100 0.027 0.000 1.141 234 T CB -0.375 68.511 68.868 0.030 0.000 0.868 234 T HN 0.580 nan 8.240 nan 0.000 0.444 235 A N 1.757 124.587 122.820 0.017 0.000 1.902 235 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 235 A C 2.308 179.891 177.584 -0.003 0.000 1.181 235 A CA 1.268 53.304 52.037 -0.002 0.000 0.623 235 A CB -0.411 18.587 19.000 -0.003 0.000 0.818 235 A HN 0.361 nan 8.150 nan 0.000 0.443 236 E N -0.285 119.931 120.200 0.027 0.000 2.085 236 E HA -0.160 4.190 4.350 -0.001 0.000 0.194 236 E C 2.339 178.971 176.600 0.053 0.000 0.994 236 E CA 1.322 57.753 56.400 0.051 0.000 0.801 236 E CB -0.436 29.309 29.700 0.076 0.000 0.743 236 E HN 0.569 nan 8.360 nan 0.000 0.453 237 S N 0.260 115.988 115.700 0.046 0.000 2.356 237 S HA -0.120 4.349 4.470 -0.001 0.000 0.223 237 S C 2.177 176.783 174.600 0.010 0.000 1.032 237 S CA 1.225 59.448 58.200 0.040 0.000 1.005 237 S CB -0.075 63.146 63.200 0.035 0.000 0.867 237 S HN 0.051 nan 8.310 nan 0.000 0.449 238 V N 1.548 121.459 119.914 -0.005 0.000 2.358 238 V HA -0.104 4.015 4.120 -0.001 0.000 0.246 238 V C 2.480 178.551 176.094 -0.038 0.000 1.047 238 V CA 1.998 64.282 62.300 -0.027 0.000 1.035 238 V CB -0.629 31.176 31.823 -0.031 0.000 0.658 238 V HN 0.498 nan 8.190 nan 0.000 0.452 239 M N 0.349 119.925 119.600 -0.040 0.000 2.175 239 M HA -0.120 4.359 4.480 -0.001 0.000 0.264 239 M C 2.194 178.490 176.300 -0.006 0.000 1.063 239 M CA 1.777 57.049 55.300 -0.047 0.000 1.119 239 M CB -0.737 31.811 32.600 -0.086 0.000 1.377 239 M HN 0.223 nan 8.290 nan 0.000 0.415 240 R N -0.643 119.866 120.500 0.014 0.000 2.081 240 R HA -0.166 4.173 4.340 -0.001 0.000 0.235 240 R C 2.448 178.733 176.300 -0.025 0.000 1.131 240 R CA 1.826 57.939 56.100 0.022 0.000 0.960 240 R CB -0.335 29.992 30.300 0.045 0.000 0.856 240 R HN 0.421 nan 8.270 nan 0.000 0.436 241 R N 0.299 120.776 120.500 -0.038 0.000 2.075 241 R HA -0.125 4.215 4.340 -0.001 0.000 0.232 241 R C 2.484 178.752 176.300 -0.053 0.000 1.126 241 R CA 1.621 57.684 56.100 -0.060 0.000 0.963 241 R CB -0.212 30.054 30.300 -0.056 0.000 0.858 241 R HN 0.181 nan 8.270 nan 0.000 0.435 242 R N 0.530 121.000 120.500 -0.050 0.000 2.070 242 R HA -0.128 4.211 4.340 -0.001 0.000 0.233 242 R C 2.237 178.520 176.300 -0.028 0.000 1.137 242 R CA 1.948 58.018 56.100 -0.049 0.000 0.945 242 R CB -0.367 29.901 30.300 -0.054 0.000 0.845 242 R HN 0.259 nan 8.270 nan 0.000 0.430 243 I N 1.476 122.033 120.570 -0.021 0.000 2.163 243 I HA -0.317 3.852 4.170 -0.001 0.000 0.243 243 I C 1.709 177.805 176.117 -0.034 0.000 1.085 243 I CA 1.383 62.669 61.300 -0.022 0.000 1.347 243 I CB -0.439 37.605 38.000 0.073 0.000 1.044 243 I HN 0.274 nan 8.210 nan 0.000 0.408 244 N N -0.250 118.422 118.700 -0.047 0.000 2.309 244 N HA -0.213 4.526 4.740 -0.001 0.000 0.182 244 N C 1.754 177.068 175.510 -0.328 0.000 1.018 244 N CA 1.161 54.047 53.050 -0.273 0.000 0.876 244 N CB -0.621 37.515 38.487 -0.586 0.000 0.972 244 N HN 0.485 nan 8.380 nan 0.000 0.434 245 H N 1.248 120.168 119.070 -0.250 0.000 2.357 245 H HA 0.024 4.579 4.556 -0.001 0.000 0.301 245 H C 2.072 177.319 175.328 -0.135 0.000 1.082 245 H CA 1.722 57.658 56.048 -0.187 0.000 1.342 245 H CB 0.188 29.868 29.762 -0.137 0.000 1.389 245 H HN 0.066 nan 8.280 nan 0.000 0.511 246 K N -0.539 119.835 120.400 -0.043 0.000 2.063 246 K HA -0.217 4.102 4.320 -0.001 0.000 0.208 246 K C 1.762 178.277 176.600 -0.141 0.000 1.048 246 K CA 1.649 57.869 56.287 -0.111 0.000 0.928 246 K CB -0.158 32.232 32.500 -0.184 0.000 0.713 246 K HN 0.503 nan 8.250 nan 0.000 0.442 247 H N 0.321 119.394 119.070 0.005 0.000 2.389 247 H HA -0.046 4.509 4.556 -0.001 0.000 0.299 247 H C 2.177 177.562 175.328 0.094 0.000 1.081 247 H CA 1.594 57.705 56.048 0.104 0.000 1.345 247 H CB -0.131 29.812 29.762 0.301 0.000 1.393 247 H HN 0.284 nan 8.280 nan 0.000 0.520 248 M N -0.163 119.487 119.600 0.083 0.000 2.175 248 M HA -0.124 4.355 4.480 -0.001 0.000 0.264 248 M C 2.478 178.743 176.300 -0.059 0.000 1.063 248 M CA 0.907 56.216 55.300 0.015 0.000 1.119 248 M CB -0.061 32.450 32.600 -0.149 0.000 1.377 248 M HN -0.010 nan 8.290 nan 0.000 0.415 249 V N 0.833 120.656 119.914 -0.152 0.000 2.490 249 V HA -0.230 3.890 4.120 -0.001 0.000 0.250 249 V C 1.488 177.561 176.094 -0.035 0.000 1.061 249 V CA 1.494 63.721 62.300 -0.122 0.000 1.064 249 V CB -0.838 30.905 31.823 -0.133 0.000 0.670 249 V HN 0.475 nan 8.190 nan 0.000 0.461 250 N N 0.379 119.081 118.700 0.004 0.000 2.521 250 N HA 0.098 4.837 4.740 -0.001 0.000 0.188 250 N C 1.362 176.902 175.510 0.050 0.000 1.146 250 N CA 0.985 54.059 53.050 0.038 0.000 0.893 250 N CB 0.442 38.975 38.487 0.077 0.000 0.975 250 N HN 0.588 nan 8.380 nan 0.000 0.451 251 G N -0.800 108.026 108.800 0.044 0.000 2.140 251 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.211 251 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.211 251 G C -0.416 174.517 174.900 0.056 0.000 1.013 251 G CA -0.085 45.039 45.100 0.039 0.000 0.705 251 G HN 0.156 nan 8.290 nan 0.000 0.508 252 V N 0.975 120.956 119.914 0.112 0.000 2.398 252 V HA 0.660 4.780 4.120 -0.001 0.000 0.286 252 V C 0.719 176.915 176.094 0.169 0.000 1.026 252 V CA -0.373 61.990 62.300 0.105 0.000 0.868 252 V CB 1.764 33.679 31.823 0.154 0.000 0.982 252 V HN 0.340 nan 8.190 nan 0.000 0.443 253 S N 4.507 120.231 115.700 0.039 0.000 2.537 253 S HA 0.694 5.164 4.470 -0.001 0.000 0.275 253 S C -0.786 173.823 174.600 0.015 0.000 1.272 253 S CA -0.150 58.096 58.200 0.077 0.000 1.050 253 S CB 0.381 63.585 63.200 0.007 0.000 0.961 253 S HN 0.458 nan 8.310 nan 0.000 0.496 254 F N 1.568 121.494 119.950 -0.039 0.000 2.536 254 F HA 0.329 4.856 4.527 -0.001 0.000 0.322 254 F C 0.909 176.686 175.800 -0.039 0.000 1.144 254 F CA -0.818 57.155 58.000 -0.045 0.000 0.924 254 F CB 1.280 40.253 39.000 -0.045 0.000 1.181 254 F HN 0.335 nan 8.300 nan 0.000 0.438 255 V N 1.687 121.661 119.914 0.100 0.000 2.427 255 V HA -0.174 3.946 4.120 -0.001 0.000 0.248 255 V C 0.498 176.636 176.094 0.073 0.000 1.051 255 V CA 1.547 63.882 62.300 0.059 0.000 1.048 255 V CB -0.505 31.329 31.823 0.018 0.000 0.666 255 V HN 0.723 nan 8.190 nan 0.000 0.456 256 N N -0.639 118.123 118.700 0.103 0.000 2.732 256 N HA 0.185 4.924 4.740 -0.001 0.000 0.247 256 N C -2.097 173.455 175.510 0.070 0.000 1.305 256 N CA -1.328 51.760 53.050 0.065 0.000 0.762 256 N CB 1.635 40.142 38.487 0.033 0.000 1.361 256 N HN -0.001 nan 8.380 nan 0.000 0.545 257 P HA -0.070 nan 4.420 nan 0.000 0.225 257 P C 0.476 177.697 177.300 -0.132 0.000 1.148 257 P CA 0.942 63.961 63.100 -0.134 0.000 0.779 257 P CB 0.651 32.143 31.700 -0.347 0.000 0.780 258 E N -0.330 119.823 120.200 -0.079 0.000 2.435 258 E HA 0.099 4.448 4.350 -0.001 0.000 0.195 258 E C 1.180 177.731 176.600 -0.082 0.000 1.029 258 E CA 0.379 56.741 56.400 -0.063 0.000 0.865 258 E CB 0.072 29.759 29.700 -0.021 0.000 0.833 258 E HN 0.232 nan 8.360 nan 0.000 0.510 259 A N 0.713 123.449 122.820 -0.139 0.000 2.674 259 A HA 0.289 4.608 4.320 -0.001 0.000 0.286 259 A C -0.104 177.134 177.584 -0.577 0.000 0.980 259 A CA -0.326 51.584 52.037 -0.212 0.000 1.028 259 A CB 0.383 19.392 19.000 0.015 0.000 1.199 259 A HN -0.084 nan 8.150 nan 0.000 0.499 260 T N 0.336 114.445 114.554 -0.742 0.000 2.848 260 T HA 0.518 4.868 4.350 -0.001 0.000 0.285 260 T C -1.358 172.880 174.700 -0.770 0.000 0.995 260 T CA -0.080 61.668 62.100 -0.587 0.000 0.970 260 T CB 0.706 69.576 68.868 0.004 0.000 0.976 260 T HN 0.212 nan 8.240 nan 0.000 0.441 261 Y N 2.912 123.248 120.300 0.060 0.000 2.587 261 Y HA 0.584 5.134 4.550 -0.001 0.000 0.328 261 Y C 0.045 175.952 175.900 0.012 0.000 0.980 261 Y CA -1.112 57.006 58.100 0.029 0.000 1.272 261 Y CB 0.073 38.526 38.460 -0.010 0.000 1.094 261 Y HN 0.452 nan 8.280 nan 0.000 0.503 262 I N 3.261 123.904 120.570 0.121 0.000 2.389 262 I HA 0.256 4.425 4.170 -0.001 0.000 0.288 262 I C -0.485 175.713 176.117 0.134 0.000 0.999 262 I CA -0.897 60.470 61.300 0.111 0.000 1.129 262 I CB 1.267 39.352 38.000 0.142 0.000 1.288 262 I HN 0.419 nan 8.210 nan 0.000 0.444 263 D N 3.884 124.346 120.400 0.103 0.000 2.378 263 D HA 0.003 4.642 4.640 -0.001 0.000 0.238 263 D C 1.113 177.493 176.300 0.134 0.000 1.180 263 D CA -0.007 54.058 54.000 0.109 0.000 0.895 263 D CB 1.051 41.894 40.800 0.072 0.000 1.192 263 D HN 0.424 nan 8.370 nan 0.000 0.438 264 I N 1.095 121.746 120.570 0.135 0.000 2.194 264 I HA -0.275 3.894 4.170 -0.001 0.000 0.246 264 I C 1.016 177.196 176.117 0.106 0.000 1.093 264 I CA 1.788 63.170 61.300 0.136 0.000 1.355 264 I CB 0.045 38.142 38.000 0.161 0.000 1.046 264 I HN 0.251 nan 8.210 nan 0.000 0.413 265 D N -0.087 120.364 120.400 0.085 0.000 2.342 265 D HA 0.164 4.804 4.640 -0.001 0.000 0.221 265 D C 0.224 176.576 176.300 0.087 0.000 1.101 265 D CA 0.095 54.139 54.000 0.074 0.000 0.837 265 D CB 0.046 40.875 40.800 0.048 0.000 0.938 265 D HN 0.090 nan 8.370 nan 0.000 0.508 266 V N 1.493 121.476 119.914 0.115 0.000 2.637 266 V HA 0.035 4.155 4.120 -0.001 0.000 0.296 266 V C 0.674 176.862 176.094 0.156 0.000 1.046 266 V CA 0.009 62.372 62.300 0.106 0.000 1.066 266 V CB 1.046 32.919 31.823 0.083 0.000 0.968 266 V HN -0.018 nan 8.190 nan 0.000 0.483 267 E N 5.012 125.273 120.200 0.100 0.000 2.166 267 E HA 0.656 5.005 4.350 -0.001 0.000 0.275 267 E C -1.039 175.596 176.600 0.059 0.000 0.941 267 E CA -0.469 56.002 56.400 0.118 0.000 0.784 267 E CB 2.150 31.895 29.700 0.075 0.000 1.115 267 E HN 0.528 nan 8.360 nan 0.000 0.399 268 I N 2.121 122.741 120.570 0.082 0.000 2.534 268 I HA 0.403 4.572 4.170 -0.001 0.000 0.288 268 I C -0.111 176.030 176.117 0.039 0.000 1.077 268 I CA -0.875 60.415 61.300 -0.017 0.000 1.051 268 I CB 1.892 39.768 38.000 -0.206 0.000 1.234 268 I HN 0.526 nan 8.210 nan 0.000 0.425 269 A N 4.254 127.078 122.820 0.007 0.000 2.313 269 A HA 0.581 4.900 4.320 -0.001 0.000 0.261 269 A C 0.389 177.981 177.584 0.013 0.000 1.090 269 A CA -0.159 51.887 52.037 0.016 0.000 0.807 269 A CB 0.401 19.403 19.000 0.002 0.000 1.055 269 A HN 0.680 nan 8.150 nan 0.000 0.492 270 S N 0.333 116.043 115.700 0.018 0.000 2.584 270 S HA 0.285 4.754 4.470 -0.001 0.000 0.270 270 S C 0.489 175.087 174.600 -0.004 0.000 1.346 270 S CA 0.338 58.547 58.200 0.015 0.000 1.018 270 S CB 0.240 63.449 63.200 0.015 0.000 0.899 270 S HN 0.744 nan 8.310 nan 0.000 0.542 271 E N -2.100 118.096 120.200 -0.006 0.000 3.916 271 E HA -0.169 4.181 4.350 -0.001 0.000 0.331 271 E C -0.346 176.230 176.600 -0.041 0.000 0.729 271 E CA 0.479 56.867 56.400 -0.019 0.000 1.222 271 E CB -1.764 27.926 29.700 -0.016 0.000 1.633 271 E HN 0.401 nan 8.360 nan 0.000 0.437 272 V N 1.593 121.473 119.914 -0.056 0.000 2.637 272 V HA -0.020 4.100 4.120 -0.001 0.000 0.296 272 V C 0.851 176.866 176.094 -0.133 0.000 1.046 272 V CA 0.862 63.103 62.300 -0.098 0.000 1.066 272 V CB 1.134 32.882 31.823 -0.125 0.000 0.968 272 V HN 0.091 nan 8.190 nan 0.000 0.483 273 Q N 4.839 124.553 119.800 -0.142 0.000 2.333 273 Q HA 0.601 4.941 4.340 -0.001 0.000 0.265 273 Q C -1.037 174.829 176.000 -0.222 0.000 0.989 273 Q CA -0.282 55.426 55.803 -0.157 0.000 0.842 273 Q CB 2.159 30.835 28.738 -0.102 0.000 1.262 273 Q HN 0.626 nan 8.270 nan 0.000 0.451 274 I N 2.255 122.627 120.570 -0.329 0.000 2.410 274 I HA 0.264 4.433 4.170 -0.001 0.000 0.286 274 I C 0.241 176.201 176.117 -0.261 0.000 1.009 274 I CA -0.577 60.493 61.300 -0.384 0.000 1.111 274 I CB 1.506 39.059 38.000 -0.745 0.000 1.262 274 I HN 0.506 nan 8.210 nan 0.000 0.443 275 E N 3.454 123.560 120.200 -0.155 0.000 2.397 275 E HA 0.455 4.805 4.350 -0.001 0.000 0.254 275 E C 0.201 176.766 176.600 -0.058 0.000 1.231 275 E CA -0.548 55.803 56.400 -0.082 0.000 0.954 275 E CB 0.865 30.530 29.700 -0.057 0.000 1.024 275 E HN 0.700 nan 8.360 nan 0.000 0.481 276 A N 1.497 124.309 122.820 -0.013 0.000 2.386 276 A HA 0.091 4.411 4.320 -0.001 0.000 0.246 276 A C 0.486 178.083 177.584 0.021 0.000 1.089 276 A CA 0.237 52.279 52.037 0.007 0.000 0.790 276 A CB -0.056 18.959 19.000 0.026 0.000 1.042 276 A HN 0.833 nan 8.150 nan 0.000 0.497 277 N N -1.579 117.148 118.700 0.045 0.000 2.754 277 N HA -0.142 4.597 4.740 -0.001 0.000 0.248 277 N C -0.716 174.876 175.510 0.136 0.000 1.093 277 N CA 1.021 54.167 53.050 0.160 0.000 0.699 277 N CB -1.313 37.270 38.487 0.160 0.000 1.016 277 N HN 0.514 nan 8.380 nan 0.000 0.552 278 V N 0.351 120.299 119.914 0.058 0.000 2.532 278 V HA 0.540 4.660 4.120 -0.001 0.000 0.295 278 V C 0.618 176.743 176.094 0.052 0.000 1.041 278 V CA -0.231 62.085 62.300 0.026 0.000 0.926 278 V CB 1.975 33.759 31.823 -0.065 0.000 0.992 278 V HN 0.223 nan 8.190 nan 0.000 0.457 279 T N 6.552 121.105 114.554 -0.002 0.000 2.809 279 T HA 0.639 4.988 4.350 -0.001 0.000 0.284 279 T C -0.638 173.936 174.700 -0.209 0.000 0.992 279 T CA -0.283 61.744 62.100 -0.123 0.000 0.957 279 T CB 0.683 69.287 68.868 -0.438 0.000 0.942 279 T HN 0.359 nan 8.240 nan 0.000 0.439 280 L N 3.797 124.942 121.223 -0.130 0.000 2.372 280 L HA 0.582 4.922 4.340 -0.001 0.000 0.274 280 L C -0.142 176.685 176.870 -0.071 0.000 0.988 280 L CA -0.851 53.931 54.840 -0.097 0.000 0.833 280 L CB 1.711 43.731 42.059 -0.064 0.000 1.236 280 L HN 0.382 nan 8.230 nan 0.000 0.410 281 K N 1.424 121.780 120.400 -0.072 0.000 2.328 281 K HA 0.813 5.132 4.320 -0.001 0.000 0.246 281 K C 0.425 177.034 176.600 0.014 0.000 0.955 281 K CA -0.196 56.076 56.287 -0.026 0.000 0.817 281 K CB 2.295 34.770 32.500 -0.043 0.000 1.208 281 K HN 0.675 nan 8.250 nan 0.000 0.432 282 G N 1.124 109.941 108.800 0.027 0.000 2.566 282 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.280 282 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.280 282 G C -0.561 174.358 174.900 0.031 0.000 1.225 282 G CA -0.351 44.767 45.100 0.031 0.000 0.966 282 G HN 0.504 nan 8.290 nan 0.000 0.560 283 Q N 1.627 121.444 119.800 0.029 0.000 3.179 283 Q HA 0.316 4.656 4.340 -0.001 0.000 0.328 283 Q C 0.392 176.408 176.000 0.025 0.000 1.336 283 Q CA 0.471 56.291 55.803 0.028 0.000 0.939 283 Q CB -0.485 28.268 28.738 0.024 0.000 1.658 283 Q HN 0.480 nan 8.270 nan 0.000 0.486 284 T N 1.260 115.829 114.554 0.025 0.000 2.837 284 T HA 0.453 4.803 4.350 -0.001 0.000 0.285 284 T C 0.078 174.785 174.700 0.013 0.000 0.984 284 T CA -0.423 61.687 62.100 0.016 0.000 1.049 284 T CB 1.160 70.032 68.868 0.006 0.000 0.947 284 T HN 0.140 nan 8.240 nan 0.000 0.472 285 K N 2.779 123.182 120.400 0.006 0.000 2.443 285 K HA 0.573 4.892 4.320 -0.001 0.000 0.252 285 K C -1.125 175.467 176.600 -0.012 0.000 0.933 285 K CA -0.904 55.385 56.287 0.004 0.000 0.792 285 K CB 1.890 34.397 32.500 0.011 0.000 1.185 285 K HN 0.325 nan 8.250 nan 0.000 0.425 286 I N 2.157 122.713 120.570 -0.024 0.000 2.418 286 I HA 0.284 4.454 4.170 -0.001 0.000 0.287 286 I C 0.790 176.888 176.117 -0.031 0.000 1.008 286 I CA -0.532 60.744 61.300 -0.040 0.000 1.104 286 I CB 1.140 39.093 38.000 -0.078 0.000 1.264 286 I HN 0.734 nan 8.210 nan 0.000 0.438 287 G N 3.927 112.712 108.800 -0.026 0.000 2.599 287 G HA2 0.483 4.442 3.960 -0.001 0.000 0.264 287 G HA3 0.483 4.442 3.960 -0.001 0.000 0.264 287 G C 0.119 175.004 174.900 -0.025 0.000 1.200 287 G CA -0.395 44.694 45.100 -0.018 0.000 0.896 287 G HN 0.809 nan 8.290 nan 0.000 0.536 288 A N -0.345 122.465 122.820 -0.017 0.000 2.540 288 A HA 0.384 4.703 4.320 -0.001 0.000 0.239 288 A C 0.999 178.568 177.584 -0.025 0.000 1.061 288 A CA 1.055 53.081 52.037 -0.018 0.000 0.758 288 A CB -0.316 18.678 19.000 -0.009 0.000 0.991 288 A HN 1.080 nan 8.150 nan 0.000 0.502 289 E N -0.613 119.568 120.200 -0.031 0.000 3.799 289 E HA -0.183 4.167 4.350 -0.001 0.000 0.320 289 E C 0.091 176.664 176.600 -0.045 0.000 0.760 289 E CA 1.217 57.596 56.400 -0.035 0.000 1.153 289 E CB -2.124 27.561 29.700 -0.025 0.000 1.589 289 E HN 0.755 nan 8.360 nan 0.000 0.448 290 T N 0.992 115.514 114.554 -0.052 0.000 2.930 290 T HA 0.293 4.642 4.350 -0.001 0.000 0.306 290 T C 0.188 174.840 174.700 -0.081 0.000 1.045 290 T CA -0.086 61.978 62.100 -0.061 0.000 1.134 290 T CB 1.325 70.159 68.868 -0.058 0.000 0.961 290 T HN -0.019 nan 8.240 nan 0.000 0.545 291 V N 5.348 125.215 119.914 -0.079 0.000 2.398 291 V HA 0.447 4.566 4.120 -0.001 0.000 0.286 291 V C -0.162 175.874 176.094 -0.097 0.000 1.026 291 V CA -0.706 61.540 62.300 -0.092 0.000 0.868 291 V CB 1.258 33.033 31.823 -0.079 0.000 0.982 291 V HN 0.656 nan 8.190 nan 0.000 0.443 292 L N 5.218 126.372 121.223 -0.116 0.000 2.319 292 L HA 0.588 4.927 4.340 -0.001 0.000 0.281 292 L C 0.444 177.253 176.870 -0.103 0.000 1.005 292 L CA -0.350 54.425 54.840 -0.109 0.000 0.828 292 L CB 2.030 44.010 42.059 -0.131 0.000 1.227 292 L HN 0.776 nan 8.230 nan 0.000 0.415 293 T N -1.194 113.308 114.554 -0.086 0.000 2.927 293 T HA 0.235 4.585 4.350 -0.001 0.000 0.281 293 T C 0.344 175.011 174.700 -0.054 0.000 0.998 293 T CA -0.804 61.251 62.100 -0.076 0.000 1.019 293 T CB 1.373 70.190 68.868 -0.085 0.000 1.061 293 T HN 0.474 nan 8.240 nan 0.000 0.518 294 N N 0.364 119.042 118.700 -0.037 0.000 2.217 294 N HA 0.061 4.800 4.740 -0.001 0.000 0.268 294 N C 1.529 177.044 175.510 0.009 0.000 1.290 294 N CA 2.066 55.114 53.050 -0.003 0.000 0.831 294 N CB -0.082 38.409 38.487 0.007 0.000 1.057 294 N HN 1.241 nan 8.380 nan 0.000 0.481 295 G N 1.959 110.790 108.800 0.052 0.000 2.234 295 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.235 295 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.235 295 G C 0.348 175.304 174.900 0.095 0.000 0.997 295 G CA 0.426 45.574 45.100 0.080 0.000 0.623 295 G HN 0.710 nan 8.290 nan 0.000 0.514 296 T N 0.866 115.451 114.554 0.051 0.000 2.902 296 T HA 0.377 4.727 4.350 -0.001 0.000 0.301 296 T C -0.698 174.082 174.700 0.134 0.000 1.012 296 T CA 0.786 62.922 62.100 0.060 0.000 1.151 296 T CB 0.750 69.617 68.868 -0.001 0.000 0.946 296 T HN 0.426 nan 8.240 nan 0.000 0.542 297 Y N 3.865 124.171 120.300 0.010 0.000 2.327 297 Y HA 0.499 5.048 4.550 -0.001 0.000 0.325 297 Y C -1.059 174.857 175.900 0.027 0.000 0.999 297 Y CA -0.940 57.175 58.100 0.025 0.000 1.195 297 Y CB 0.981 39.453 38.460 0.021 0.000 1.132 297 Y HN 0.371 nan 8.280 nan 0.000 0.455 298 V N 6.676 126.657 119.914 0.111 0.000 2.448 298 V HA 0.615 4.735 4.120 -0.001 0.000 0.295 298 V C -0.841 175.298 176.094 0.074 0.000 1.025 298 V CA -0.904 61.458 62.300 0.103 0.000 0.859 298 V CB 1.599 33.442 31.823 0.033 0.000 0.988 298 V HN 0.493 nan 8.190 nan 0.000 0.431 299 V N 3.151 123.141 119.914 0.128 0.000 2.487 299 V HA 0.456 4.575 4.120 -0.001 0.000 0.298 299 V C -0.101 176.036 176.094 0.071 0.000 1.028 299 V CA -0.762 61.601 62.300 0.104 0.000 0.860 299 V CB 1.625 33.550 31.823 0.170 0.000 0.991 299 V HN 0.952 nan 8.190 nan 0.000 0.427 300 D N 2.609 123.038 120.400 0.049 0.000 2.720 300 D HA -0.157 4.483 4.640 -0.001 0.000 0.229 300 D C 0.285 176.605 176.300 0.032 0.000 1.198 300 D CA 1.179 55.201 54.000 0.037 0.000 0.639 300 D CB -0.463 40.359 40.800 0.036 0.000 1.003 300 D HN 0.597 nan 8.370 nan 0.000 0.411 301 S N -0.878 114.840 115.700 0.029 0.000 2.599 301 S HA 0.716 5.185 4.470 -0.001 0.000 0.287 301 S C 0.093 174.702 174.600 0.015 0.000 1.105 301 S CA -0.845 57.369 58.200 0.023 0.000 0.899 301 S CB 2.464 65.682 63.200 0.030 0.000 1.100 301 S HN 0.231 nan 8.310 nan 0.000 0.482 302 T N -0.185 114.376 114.554 0.011 0.000 2.779 302 T HA 0.754 5.104 4.350 -0.001 0.000 0.280 302 T C -0.532 174.169 174.700 0.002 0.000 0.987 302 T CA -0.526 61.578 62.100 0.006 0.000 0.966 302 T CB 0.010 68.882 68.868 0.007 0.000 0.933 302 T HN 0.453 nan 8.240 nan 0.000 0.442 303 I N 2.693 123.261 120.570 -0.004 0.000 2.465 303 I HA 0.548 4.717 4.170 -0.001 0.000 0.291 303 I C 1.164 177.274 176.117 -0.011 0.000 1.014 303 I CA -1.077 60.218 61.300 -0.009 0.000 1.093 303 I CB 1.954 39.943 38.000 -0.017 0.000 1.267 303 I HN 0.901 nan 8.210 nan 0.000 0.431 304 G N 3.683 112.478 108.800 -0.008 0.000 2.489 304 G HA2 0.561 4.521 3.960 -0.001 0.000 0.271 304 G HA3 0.561 4.521 3.960 -0.001 0.000 0.271 304 G C -0.221 174.672 174.900 -0.013 0.000 1.427 304 G CA -0.330 44.766 45.100 -0.007 0.000 1.057 304 G HN 0.737 nan 8.290 nan 0.000 0.532 305 A N -2.288 120.526 122.820 -0.009 0.000 2.316 305 A HA 0.594 4.914 4.320 -0.001 0.000 0.284 305 A C 1.348 178.925 177.584 -0.013 0.000 1.115 305 A CA 0.722 52.751 52.037 -0.013 0.000 0.812 305 A CB 0.247 19.242 19.000 -0.008 0.000 1.064 305 A HN 2.474 nan 8.150 nan 0.000 0.489 306 G N -0.380 108.409 108.800 -0.019 0.000 2.187 306 G HA2 0.127 4.086 3.960 -0.001 0.000 0.261 306 G HA3 0.127 4.086 3.960 -0.001 0.000 0.261 306 G C 0.565 175.453 174.900 -0.021 0.000 1.000 306 G CA 0.777 45.866 45.100 -0.019 0.000 0.718 306 G HN 2.029 nan 8.290 nan 0.000 0.519 307 A N -1.071 121.733 122.820 -0.026 0.000 2.286 307 A HA 0.803 5.123 4.320 -0.001 0.000 0.286 307 A C 0.123 177.678 177.584 -0.048 0.000 1.097 307 A CA 0.122 52.141 52.037 -0.030 0.000 0.821 307 A CB 1.569 20.553 19.000 -0.025 0.000 1.076 307 A HN 1.182 nan 8.150 nan 0.000 0.490 308 V N 2.964 122.843 119.914 -0.059 0.000 2.419 308 V HA 0.256 4.376 4.120 -0.001 0.000 0.287 308 V C -0.954 175.091 176.094 -0.081 0.000 1.017 308 V CA -0.315 61.939 62.300 -0.076 0.000 0.844 308 V CB 1.183 32.952 31.823 -0.090 0.000 1.011 308 V HN 0.651 nan 8.190 nan 0.000 0.429 309 I N 3.704 124.228 120.570 -0.076 0.000 2.337 309 I HA 0.321 4.490 4.170 -0.001 0.000 0.285 309 I C 0.520 176.585 176.117 -0.087 0.000 1.041 309 I CA 0.041 61.298 61.300 -0.071 0.000 1.199 309 I CB 1.029 38.999 38.000 -0.050 0.000 1.370 309 I HN 0.453 nan 8.210 nan 0.000 0.470 310 T N 5.606 120.093 114.554 -0.113 0.000 2.738 310 T HA 0.133 4.482 4.350 -0.001 0.000 0.298 310 T C 0.846 175.438 174.700 -0.179 0.000 0.962 310 T CA -0.306 61.708 62.100 -0.143 0.000 0.972 310 T CB 0.056 68.822 68.868 -0.170 0.000 0.928 310 T HN 0.547 nan 8.240 nan 0.000 0.474 311 N N 2.752 121.359 118.700 -0.154 0.000 2.689 311 N HA -0.196 4.543 4.740 -0.001 0.000 0.263 311 N C -0.918 174.513 175.510 -0.133 0.000 0.987 311 N CA 0.582 53.534 53.050 -0.163 0.000 0.782 311 N CB -0.831 37.460 38.487 -0.326 0.000 0.903 311 N HN 0.589 nan 8.380 nan 0.000 0.547 312 S N 0.436 116.105 115.700 -0.050 0.000 2.599 312 S HA 0.573 5.042 4.470 -0.001 0.000 0.287 312 S C -0.119 174.516 174.600 0.057 0.000 1.105 312 S CA -0.776 57.422 58.200 -0.004 0.000 0.899 312 S CB 2.202 65.391 63.200 -0.019 0.000 1.100 312 S HN 0.378 nan 8.310 nan 0.000 0.482 313 M N 3.072 122.717 119.600 0.076 0.000 2.205 313 M HA 0.603 5.083 4.480 -0.001 0.000 0.344 313 M C -1.917 174.510 176.300 0.212 0.000 1.085 313 M CA -0.420 54.952 55.300 0.120 0.000 1.001 313 M CB 0.286 32.851 32.600 -0.059 0.000 1.626 313 M HN 0.597 nan 8.290 nan 0.000 0.442 314 I N 4.404 125.084 120.570 0.184 0.000 2.447 314 I HA 0.375 4.544 4.170 -0.001 0.000 0.287 314 I C -1.059 175.139 176.117 0.136 0.000 1.023 314 I CA -0.574 60.808 61.300 0.137 0.000 1.083 314 I CB 2.171 40.219 38.000 0.081 0.000 1.245 314 I HN 0.686 nan 8.210 nan 0.000 0.434 315 E N 5.177 125.438 120.200 0.102 0.000 2.234 315 E HA 0.345 4.694 4.350 -0.001 0.000 0.266 315 E C -0.954 175.672 176.600 0.043 0.000 0.877 315 E CA -0.826 55.627 56.400 0.087 0.000 0.758 315 E CB 1.634 31.392 29.700 0.097 0.000 1.170 315 E HN 0.451 nan 8.360 nan 0.000 0.415 316 E N 0.898 121.123 120.200 0.042 0.000 2.165 316 E HA -0.218 4.132 4.350 -0.001 0.000 0.203 316 E C -0.843 175.764 176.600 0.013 0.000 1.335 316 E CA 0.512 56.927 56.400 0.025 0.000 0.708 316 E CB -0.982 28.729 29.700 0.019 0.000 1.105 316 E HN 0.300 nan 8.360 nan 0.000 0.346 317 S N -0.485 115.224 115.700 0.015 0.000 2.651 317 S HA 0.613 5.082 4.470 -0.001 0.000 0.279 317 S C -0.602 174.003 174.600 0.008 0.000 1.148 317 S CA -0.593 57.611 58.200 0.007 0.000 0.837 317 S CB 2.075 65.276 63.200 0.001 0.000 1.138 317 S HN 0.296 nan 8.310 nan 0.000 0.478 318 S N 0.272 115.974 115.700 0.004 0.000 2.473 318 S HA 0.792 5.261 4.470 -0.001 0.000 0.307 318 S C -1.065 173.537 174.600 0.003 0.000 1.094 318 S CA -0.626 57.577 58.200 0.005 0.000 1.070 318 S CB 1.149 64.351 63.200 0.004 0.000 1.019 318 S HN 0.430 nan 8.310 nan 0.000 0.480 319 V N 2.712 122.628 119.914 0.004 0.000 2.444 319 V HA 0.741 4.861 4.120 -0.001 0.000 0.294 319 V C 0.702 176.798 176.094 0.003 0.000 1.022 319 V CA -0.523 61.779 62.300 0.003 0.000 0.850 319 V CB 1.019 32.843 31.823 0.002 0.000 0.992 319 V HN 1.232 nan 8.190 nan 0.000 0.426 320 A N 3.799 126.623 122.820 0.006 0.000 2.251 320 A HA 0.475 4.794 4.320 -0.001 0.000 0.278 320 A C 0.099 177.687 177.584 0.007 0.000 1.206 320 A CA -0.411 51.630 52.037 0.006 0.000 0.822 320 A CB 0.084 19.088 19.000 0.008 0.000 1.187 320 A HN 0.761 nan 8.150 nan 0.000 0.504 321 D N -0.682 119.722 120.400 0.007 0.000 2.399 321 D HA 0.388 5.027 4.640 -0.001 0.000 0.241 321 D C 1.284 177.592 176.300 0.014 0.000 1.133 321 D CA 1.669 55.673 54.000 0.006 0.000 0.890 321 D CB 0.368 41.171 40.800 0.005 0.000 1.201 321 D HN 1.123 nan 8.370 nan 0.000 0.432 322 G N 0.555 109.362 108.800 0.013 0.000 2.180 322 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.263 322 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.263 322 G C 0.387 175.315 174.900 0.048 0.000 0.989 322 G CA 0.383 45.499 45.100 0.026 0.000 0.692 322 G HN 0.469 nan 8.290 nan 0.000 0.526 323 V N 1.934 121.868 119.914 0.034 0.000 2.637 323 V HA 0.372 4.491 4.120 -0.001 0.000 0.296 323 V C 0.788 176.886 176.094 0.006 0.000 1.046 323 V CA -0.236 62.094 62.300 0.050 0.000 1.066 323 V CB 1.323 33.163 31.823 0.029 0.000 0.968 323 V HN 0.251 nan 8.190 nan 0.000 0.483 324 I N 5.726 126.293 120.570 -0.005 0.000 2.362 324 I HA 0.491 4.660 4.170 -0.001 0.000 0.289 324 I C -0.260 175.797 176.117 -0.100 0.000 0.994 324 I CA -0.397 60.826 61.300 -0.128 0.000 1.158 324 I CB 1.486 39.263 38.000 -0.371 0.000 1.315 324 I HN 0.248 nan 8.210 nan 0.000 0.451 325 V N 4.684 124.540 119.914 -0.098 0.000 2.638 325 V HA 0.946 5.065 4.120 -0.001 0.000 0.306 325 V C 0.343 176.365 176.094 -0.119 0.000 1.052 325 V CA -0.281 61.967 62.300 -0.086 0.000 0.885 325 V CB 1.447 33.240 31.823 -0.050 0.000 0.999 325 V HN 1.113 nan 8.190 nan 0.000 0.424 326 G N 5.737 114.452 108.800 -0.141 0.000 2.498 326 G HA2 0.002 3.961 3.960 -0.001 0.000 0.651 326 G HA3 0.002 3.961 3.960 -0.001 0.000 0.651 326 G C -3.205 171.550 174.900 -0.242 0.000 1.284 326 G CA -0.436 44.546 45.100 -0.196 0.000 0.950 326 G HN 0.701 nan 8.290 nan 0.000 0.511 327 P HA 0.441 nan 4.420 nan 0.000 0.276 327 P C -0.521 176.497 177.300 -0.470 0.000 1.252 327 P CA 0.247 63.042 63.100 -0.508 0.000 0.802 327 P CB 0.161 31.412 31.700 -0.748 0.000 1.035 328 Y N -2.956 117.276 120.300 -0.113 0.000 3.234 328 Y HA -0.123 4.426 4.550 -0.001 0.000 0.207 328 Y C 0.502 176.362 175.900 -0.067 0.000 1.316 328 Y CA 0.551 58.613 58.100 -0.064 0.000 1.309 328 Y CB -2.720 35.750 38.460 0.016 0.000 1.408 328 Y HN 0.559 nan 8.280 nan 0.000 0.544 329 A N -0.030 122.809 122.820 0.033 0.000 2.311 329 A HA 0.787 5.107 4.320 -0.001 0.000 0.334 329 A C -0.687 176.983 177.584 0.143 0.000 1.139 329 A CA -0.572 51.498 52.037 0.056 0.000 0.830 329 A CB 1.287 20.279 19.000 -0.013 0.000 1.234 329 A HN 0.611 nan 8.150 nan 0.000 0.483 330 H N 1.967 121.055 119.070 0.029 0.000 2.906 330 H HA 0.421 4.976 4.556 -0.001 0.000 0.324 330 H C -1.460 173.882 175.328 0.023 0.000 0.973 330 H CA -0.853 55.211 56.048 0.028 0.000 1.321 330 H CB 0.657 30.439 29.762 0.034 0.000 1.535 330 H HN 0.432 nan 8.280 nan 0.000 0.518 331 I N 5.824 126.436 120.570 0.071 0.000 2.306 331 I HA 0.264 4.433 4.170 -0.001 0.000 0.288 331 I C 0.628 176.662 176.117 -0.138 0.000 1.036 331 I CA -0.251 61.020 61.300 -0.048 0.000 1.221 331 I CB 0.707 38.709 38.000 0.005 0.000 1.385 331 I HN 0.560 nan 8.210 nan 0.000 0.472 332 R N 5.986 126.331 120.500 -0.258 0.000 2.546 332 R HA 0.423 4.762 4.340 -0.001 0.000 0.266 332 R C -2.284 173.960 176.300 -0.094 0.000 1.086 332 R CA -1.618 54.338 56.100 -0.241 0.000 1.160 332 R CB 0.145 30.262 30.300 -0.306 0.000 1.138 332 R HN 0.260 nan 8.270 nan 0.000 0.567 333 P HA -0.151 nan 4.420 nan 0.000 0.264 333 P C -0.795 176.489 177.300 -0.027 0.000 1.173 333 P CA 0.706 63.791 63.100 -0.026 0.000 0.761 333 P CB 0.277 31.968 31.700 -0.016 0.000 0.794 334 N N -1.087 117.604 118.700 -0.016 0.000 2.754 334 N HA -0.137 4.603 4.740 -0.001 0.000 0.248 334 N C -0.714 174.784 175.510 -0.020 0.000 1.093 334 N CA 1.012 54.053 53.050 -0.015 0.000 0.699 334 N CB -1.787 36.692 38.487 -0.014 0.000 1.016 334 N HN 0.284 nan 8.380 nan 0.000 0.552 335 S N -0.215 115.472 115.700 -0.022 0.000 2.578 335 S HA 0.758 5.228 4.470 -0.001 0.000 0.301 335 S C 0.232 174.822 174.600 -0.016 0.000 1.091 335 S CA -0.561 57.623 58.200 -0.027 0.000 1.032 335 S CB 2.278 65.454 63.200 -0.040 0.000 1.064 335 S HN 0.373 nan 8.310 nan 0.000 0.508 336 S N 1.632 117.323 115.700 -0.014 0.000 2.672 336 S HA 0.600 5.070 4.470 -0.001 0.000 0.291 336 S C -1.152 173.445 174.600 -0.004 0.000 1.145 336 S CA -0.872 57.324 58.200 -0.006 0.000 1.013 336 S CB 0.221 63.419 63.200 -0.002 0.000 1.017 336 S HN 0.524 nan 8.310 nan 0.000 0.487 337 L N 3.506 124.728 121.223 -0.001 0.000 2.280 337 L HA 0.636 4.976 4.340 -0.001 0.000 0.287 337 L C 1.130 178.006 176.870 0.010 0.000 1.023 337 L CA -0.815 54.028 54.840 0.005 0.000 0.819 337 L CB 1.136 43.198 42.059 0.005 0.000 1.212 337 L HN 0.976 nan 8.230 nan 0.000 0.420 338 G N 2.010 110.817 108.800 0.012 0.000 2.684 338 G HA2 0.397 4.356 3.960 -0.001 0.000 0.255 338 G HA3 0.397 4.356 3.960 -0.001 0.000 0.255 338 G C 0.233 175.141 174.900 0.013 0.000 1.219 338 G CA -0.262 44.844 45.100 0.011 0.000 0.901 338 G HN 0.784 nan 8.290 nan 0.000 0.548 339 A N -0.412 122.414 122.820 0.010 0.000 2.567 339 A HA 0.358 4.677 4.320 -0.001 0.000 0.240 339 A C 1.038 178.630 177.584 0.013 0.000 1.053 339 A CA 0.951 52.995 52.037 0.012 0.000 0.755 339 A CB -0.285 18.719 19.000 0.008 0.000 0.978 339 A HN 1.029 nan 8.150 nan 0.000 0.507 340 Q N -0.616 119.204 119.800 0.033 0.000 2.481 340 Q HA -0.166 4.174 4.340 -0.001 0.000 0.258 340 Q C -0.103 175.921 176.000 0.041 0.000 0.961 340 Q CA 0.706 56.542 55.803 0.055 0.000 1.121 340 Q CB -2.142 26.605 28.738 0.015 0.000 1.503 340 Q HN 0.586 nan 8.270 nan 0.000 0.544 341 V N 1.138 121.087 119.914 0.059 0.000 2.740 341 V HA 0.024 4.143 4.120 -0.001 0.000 0.303 341 V C 0.484 176.707 176.094 0.216 0.000 1.054 341 V CA 0.554 62.888 62.300 0.055 0.000 1.106 341 V CB 0.762 32.611 31.823 0.043 0.000 0.957 341 V HN 0.202 nan 8.190 nan 0.000 0.486 342 H N 4.986 124.049 119.070 -0.011 0.000 2.587 342 H HA 0.467 5.023 4.556 -0.001 0.000 0.325 342 H C -0.853 174.445 175.328 -0.048 0.000 1.012 342 H CA -1.008 55.020 56.048 -0.033 0.000 1.213 342 H CB 1.385 31.126 29.762 -0.035 0.000 1.431 342 H HN 0.329 nan 8.280 nan 0.000 0.492 343 I N 3.370 123.962 120.570 0.036 0.000 2.382 343 I HA 0.206 4.375 4.170 -0.001 0.000 0.285 343 I C 0.989 177.055 176.117 -0.085 0.000 1.007 343 I CA -0.084 61.198 61.300 -0.029 0.000 1.142 343 I CB 1.061 39.041 38.000 -0.032 0.000 1.289 343 I HN 0.720 nan 8.210 nan 0.000 0.453 344 G N 6.211 114.932 108.800 -0.132 0.000 2.531 344 G HA2 0.207 4.166 3.960 -0.001 0.000 0.253 344 G HA3 0.207 4.166 3.960 -0.001 0.000 0.253 344 G C 0.057 174.824 174.900 -0.222 0.000 1.439 344 G CA -0.798 44.181 45.100 -0.201 0.000 1.056 344 G HN 0.748 nan 8.290 nan 0.000 0.555 345 N N -1.328 117.172 118.700 -0.334 0.000 2.513 345 N HA 0.147 4.886 4.740 -0.001 0.000 0.268 345 N C -0.840 174.324 175.510 -0.577 0.000 1.180 345 N CA -0.250 52.408 53.050 -0.653 0.000 0.948 345 N CB 0.472 38.304 38.487 -1.092 0.000 1.083 345 N HN 0.362 nan 8.380 nan 0.000 0.455 346 F N -1.801 118.230 119.950 0.134 0.000 3.080 346 F HA -0.178 4.348 4.527 -0.001 0.000 0.292 346 F C -0.884 174.968 175.800 0.086 0.000 0.891 346 F CA -0.288 57.774 58.000 0.102 0.000 1.086 346 F CB -2.317 36.733 39.000 0.084 0.000 1.095 346 F HN 0.257 nan 8.300 nan 0.000 0.633 347 V N 0.118 120.111 119.914 0.130 0.000 2.495 347 V HA 0.541 4.661 4.120 -0.001 0.000 0.298 347 V C 0.102 176.256 176.094 0.100 0.000 1.031 347 V CA -1.047 61.307 62.300 0.090 0.000 0.871 347 V CB 2.321 34.146 31.823 0.003 0.000 0.988 347 V HN 0.288 nan 8.190 nan 0.000 0.432 348 E N 3.554 123.826 120.200 0.120 0.000 2.176 348 E HA 0.654 5.003 4.350 -0.001 0.000 0.267 348 E C -1.877 174.769 176.600 0.077 0.000 0.893 348 E CA -0.476 56.003 56.400 0.132 0.000 0.761 348 E CB 2.160 31.982 29.700 0.203 0.000 1.133 348 E HN 0.467 nan 8.360 nan 0.000 0.409 349 V N 5.085 124.988 119.914 -0.017 0.000 2.448 349 V HA 0.435 4.554 4.120 -0.001 0.000 0.295 349 V C -0.368 175.680 176.094 -0.076 0.000 1.025 349 V CA -0.718 61.532 62.300 -0.084 0.000 0.859 349 V CB 1.613 33.379 31.823 -0.096 0.000 0.988 349 V HN 0.600 nan 8.190 nan 0.000 0.431 350 K N 3.184 123.541 120.400 -0.073 0.000 2.507 350 K HA 0.556 4.875 4.320 -0.001 0.000 0.251 350 K C 0.603 177.168 176.600 -0.058 0.000 0.943 350 K CA 0.033 56.293 56.287 -0.045 0.000 0.794 350 K CB 1.698 34.235 32.500 0.061 0.000 1.188 350 K HN 1.024 nan 8.250 nan 0.000 0.428 351 G N 2.409 111.181 108.800 -0.047 0.000 2.390 351 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.299 351 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.299 351 G C -0.645 174.230 174.900 -0.043 0.000 1.002 351 G CA 0.889 45.967 45.100 -0.037 0.000 0.979 351 G HN 0.486 nan 8.290 nan 0.000 0.513 352 S N -1.009 114.660 115.700 -0.051 0.000 2.570 352 S HA 0.804 5.273 4.470 -0.001 0.000 0.286 352 S C 0.026 174.607 174.600 -0.031 0.000 1.099 352 S CA -0.047 58.124 58.200 -0.049 0.000 0.913 352 S CB 2.099 65.248 63.200 -0.085 0.000 1.085 352 S HN 1.260 nan 8.310 nan 0.000 0.480 353 S N 1.826 117.518 115.700 -0.014 0.000 2.437 353 S HA 0.690 5.159 4.470 -0.001 0.000 0.305 353 S C -0.678 173.928 174.600 0.010 0.000 1.109 353 S CA -0.750 57.448 58.200 -0.003 0.000 1.099 353 S CB 0.285 63.487 63.200 0.003 0.000 1.004 353 S HN 0.496 nan 8.310 nan 0.000 0.475 354 I N 3.108 123.686 120.570 0.012 0.000 2.382 354 I HA 0.411 4.581 4.170 -0.001 0.000 0.286 354 I C 1.116 177.251 176.117 0.030 0.000 1.002 354 I CA -0.361 60.959 61.300 0.033 0.000 1.135 354 I CB 0.636 38.651 38.000 0.025 0.000 1.288 354 I HN 0.945 nan 8.210 nan 0.000 0.448 355 G N 5.188 114.009 108.800 0.035 0.000 2.667 355 G HA2 0.143 4.103 3.960 -0.001 0.000 0.250 355 G HA3 0.143 4.103 3.960 -0.001 0.000 0.250 355 G C 0.055 174.964 174.900 0.014 0.000 1.212 355 G CA -0.444 44.668 45.100 0.020 0.000 0.874 355 G HN 0.655 nan 8.290 nan 0.000 0.561 356 E N 0.643 120.845 120.200 0.004 0.000 2.481 356 E HA -0.081 4.268 4.350 -0.001 0.000 0.263 356 E C 0.346 176.933 176.600 -0.022 0.000 0.992 356 E CA 0.260 56.656 56.400 -0.006 0.000 0.938 356 E CB 0.274 29.969 29.700 -0.007 0.000 0.933 356 E HN 0.565 nan 8.360 nan 0.000 0.453 357 N N 0.358 119.031 118.700 -0.045 0.000 2.815 357 N HA -0.164 4.575 4.740 -0.001 0.000 0.247 357 N C -0.518 174.934 175.510 -0.097 0.000 1.030 357 N CA 1.142 54.134 53.050 -0.098 0.000 0.881 357 N CB -1.356 37.082 38.487 -0.081 0.000 1.134 357 N HN 0.390 nan 8.380 nan 0.000 0.582 358 T N 1.713 116.247 114.554 -0.035 0.000 2.919 358 T HA 0.277 4.626 4.350 -0.001 0.000 0.302 358 T C 0.662 175.377 174.700 0.025 0.000 1.031 358 T CA 0.254 62.363 62.100 0.014 0.000 1.127 358 T CB 1.209 70.131 68.868 0.090 0.000 0.952 358 T HN 0.047 nan 8.240 nan 0.000 0.540 359 K N 1.478 121.915 120.400 0.061 0.000 2.345 359 K HA 0.683 5.002 4.320 -0.001 0.000 0.255 359 K C -0.954 175.757 176.600 0.185 0.000 0.934 359 K CA -0.816 55.520 56.287 0.082 0.000 0.801 359 K CB 2.135 34.651 32.500 0.027 0.000 1.137 359 K HN 0.554 nan 8.250 nan 0.000 0.424 360 A N 1.791 124.681 122.820 0.116 0.000 2.855 360 A HA 0.420 4.739 4.320 -0.001 0.000 0.313 360 A C 0.562 178.119 177.584 -0.046 0.000 1.173 360 A CA -0.643 51.442 52.037 0.081 0.000 0.753 360 A CB 0.481 19.422 19.000 -0.099 0.000 1.200 360 A HN 0.894 nan 8.150 nan 0.000 0.442 361 G N 0.623 109.330 108.800 -0.155 0.000 2.880 361 G HA2 0.349 4.308 3.960 -0.001 0.000 0.209 361 G HA3 0.349 4.308 3.960 -0.001 0.000 0.209 361 G C 0.475 174.951 174.900 -0.706 0.000 1.157 361 G CA 0.395 45.184 45.100 -0.519 0.000 0.779 361 G HN 0.863 nan 8.290 nan 0.000 0.539 362 H N -1.776 117.328 119.070 0.056 0.000 3.123 362 H HA 0.207 4.762 4.556 -0.001 0.000 0.346 362 H C -0.307 175.100 175.328 0.132 0.000 1.138 362 H CA -1.334 54.771 56.048 0.096 0.000 1.273 362 H CB 0.624 30.457 29.762 0.119 0.000 1.926 362 H HN -0.085 nan 8.280 nan 0.000 0.524 363 L N 1.327 122.751 121.223 0.336 0.000 3.965 363 L HA -0.213 4.127 4.340 -0.001 0.000 0.476 363 L C -0.535 176.446 176.870 0.184 0.000 1.201 363 L CA 0.892 55.893 54.840 0.268 0.000 0.710 363 L CB -1.669 40.526 42.059 0.227 0.000 1.509 363 L HN 0.721 nan 8.230 nan 0.000 0.815 364 T N -0.968 113.678 114.554 0.152 0.000 2.876 364 T HA 0.537 4.887 4.350 -0.001 0.000 0.289 364 T C -1.055 173.713 174.700 0.115 0.000 1.014 364 T CA -0.559 61.600 62.100 0.098 0.000 0.986 364 T CB 2.074 70.950 68.868 0.014 0.000 1.021 364 T HN 0.121 nan 8.240 nan 0.000 0.458 365 Y N 3.311 123.585 120.300 -0.043 0.000 2.326 365 Y HA 0.663 5.212 4.550 -0.001 0.000 0.331 365 Y C -1.374 174.463 175.900 -0.105 0.000 0.962 365 Y CA -1.764 56.302 58.100 -0.056 0.000 1.167 365 Y CB 0.475 38.928 38.460 -0.011 0.000 1.148 365 Y HN 0.557 nan 8.280 nan 0.000 0.463 366 I N 6.524 126.780 120.570 -0.523 0.000 2.390 366 I HA 0.544 4.713 4.170 -0.001 0.000 0.283 366 I C 0.208 175.925 176.117 -0.668 0.000 1.016 366 I CA -0.583 60.365 61.300 -0.586 0.000 1.151 366 I CB 1.407 39.109 38.000 -0.497 0.000 1.293 366 I HN 0.850 nan 8.210 nan 0.000 0.458 367 G N 3.220 111.547 108.800 -0.787 0.000 2.590 367 G HA2 0.322 4.282 3.960 -0.001 0.000 0.310 367 G HA3 0.322 4.282 3.960 -0.001 0.000 0.310 367 G C -0.045 174.729 174.900 -0.211 0.000 1.347 367 G CA -0.492 44.311 45.100 -0.494 0.000 0.963 367 G HN 0.613 nan 8.290 nan 0.000 0.494 368 N N -0.815 117.821 118.700 -0.106 0.000 2.725 368 N HA -0.204 4.535 4.740 -0.001 0.000 0.251 368 N C -0.470 175.019 175.510 -0.034 0.000 1.031 368 N CA 0.728 53.751 53.050 -0.044 0.000 0.720 368 N CB -1.463 37.020 38.487 -0.006 0.000 0.930 368 N HN 0.563 nan 8.380 nan 0.000 0.543 369 C N 0.239 119.509 119.300 -0.050 0.000 2.561 369 C HA 0.551 5.011 4.460 -0.001 0.000 0.319 369 C C 0.436 175.427 174.990 0.002 0.000 1.198 369 C CA -1.066 57.942 59.018 -0.016 0.000 1.665 369 C CB 1.788 29.517 27.740 -0.018 0.000 2.258 369 C HN 0.487 nan 8.230 nan 0.000 0.493 370 E N 1.744 121.957 120.200 0.022 0.000 2.102 370 E HA 0.545 4.894 4.350 -0.001 0.000 0.263 370 E C -1.403 175.223 176.600 0.043 0.000 0.894 370 E CA -0.115 56.300 56.400 0.024 0.000 0.746 370 E CB 0.856 30.569 29.700 0.020 0.000 1.129 370 E HN 0.550 nan 8.360 nan 0.000 0.416 371 V N 3.785 123.734 119.914 0.058 0.000 2.483 371 V HA 0.477 4.596 4.120 -0.001 0.000 0.295 371 V C 1.030 177.155 176.094 0.053 0.000 1.035 371 V CA -0.498 61.855 62.300 0.088 0.000 0.896 371 V CB 1.524 33.464 31.823 0.193 0.000 0.986 371 V HN 0.780 nan 8.190 nan 0.000 0.447 372 G N 2.992 111.809 108.800 0.029 0.000 2.489 372 G HA2 0.416 4.375 3.960 -0.001 0.000 0.271 372 G HA3 0.416 4.375 3.960 -0.001 0.000 0.271 372 G C 0.224 175.130 174.900 0.010 0.000 1.427 372 G CA 0.077 45.184 45.100 0.012 0.000 1.057 372 G HN 0.895 nan 8.290 nan 0.000 0.532 373 S N -1.040 114.660 115.700 -0.001 0.000 2.616 373 S HA 0.296 4.765 4.470 -0.001 0.000 0.277 373 S C 0.412 175.002 174.600 -0.017 0.000 1.234 373 S CA -0.348 57.849 58.200 -0.006 0.000 1.028 373 S CB 1.231 64.427 63.200 -0.006 0.000 0.988 373 S HN 0.679 nan 8.310 nan 0.000 0.522 374 N N -0.836 117.850 118.700 -0.022 0.000 2.708 374 N HA -0.130 4.610 4.740 -0.001 0.000 0.249 374 N C -0.695 174.790 175.510 -0.040 0.000 1.097 374 N CA 0.651 53.684 53.050 -0.029 0.000 0.710 374 N CB -1.412 37.064 38.487 -0.018 0.000 1.032 374 N HN 0.501 nan 8.380 nan 0.000 0.551 375 V N 0.992 120.866 119.914 -0.066 0.000 2.686 375 V HA 0.253 4.372 4.120 -0.001 0.000 0.295 375 V C 0.758 176.729 176.094 -0.205 0.000 1.057 375 V CA -0.544 61.654 62.300 -0.170 0.000 1.012 375 V CB 1.963 33.635 31.823 -0.252 0.000 1.006 375 V HN 0.227 nan 8.190 nan 0.000 0.477 376 N N 2.970 121.465 118.700 -0.341 0.000 2.442 376 N HA 0.382 5.122 4.740 -0.001 0.000 0.274 376 N C -1.643 173.529 175.510 -0.564 0.000 1.002 376 N CA -0.371 52.470 53.050 -0.349 0.000 0.910 376 N CB 1.247 39.536 38.487 -0.331 0.000 1.244 376 N HN 0.416 nan 8.380 nan 0.000 0.492 377 F N 1.344 121.168 119.950 -0.210 0.000 2.391 377 F HA 0.397 4.923 4.527 -0.001 0.000 0.359 377 F C 1.564 177.281 175.800 -0.138 0.000 1.122 377 F CA -0.513 57.387 58.000 -0.167 0.000 1.120 377 F CB 1.259 40.215 39.000 -0.073 0.000 1.142 377 F HN 0.359 nan 8.300 nan 0.000 0.483 378 G N 1.790 110.558 108.800 -0.052 0.000 2.594 378 G HA2 0.414 4.373 3.960 -0.001 0.000 0.243 378 G HA3 0.414 4.373 3.960 -0.001 0.000 0.243 378 G C -0.232 174.745 174.900 0.129 0.000 1.229 378 G CA -0.580 44.519 45.100 -0.002 0.000 0.843 378 G HN 0.921 nan 8.290 nan 0.000 0.578 379 A N -0.234 122.658 122.820 0.120 0.000 2.561 379 A HA 0.508 4.827 4.320 -0.001 0.000 0.234 379 A C 1.682 179.322 177.584 0.093 0.000 1.055 379 A CA 1.245 53.353 52.037 0.118 0.000 0.756 379 A CB -0.334 18.558 19.000 -0.179 0.000 0.986 379 A HN 2.640 nan 8.150 nan 0.000 0.505 380 G N 1.736 110.611 108.800 0.124 0.000 2.159 380 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.256 380 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.256 380 G C 0.402 175.365 174.900 0.104 0.000 0.977 380 G CA 0.521 45.681 45.100 0.100 0.000 0.652 380 G HN 1.219 nan 8.290 nan 0.000 0.531 381 T N 1.946 116.574 114.554 0.124 0.000 2.834 381 T HA 0.506 4.855 4.350 -0.001 0.000 0.298 381 T C 0.447 175.219 174.700 0.120 0.000 0.966 381 T CA 0.257 62.437 62.100 0.134 0.000 1.141 381 T CB 0.948 69.946 68.868 0.215 0.000 0.905 381 T HN 0.223 nan 8.240 nan 0.000 0.535 382 I N 4.391 125.032 120.570 0.118 0.000 2.389 382 I HA 0.283 4.452 4.170 -0.001 0.000 0.288 382 I C 0.873 177.053 176.117 0.105 0.000 0.999 382 I CA -0.788 60.595 61.300 0.137 0.000 1.129 382 I CB 1.463 39.550 38.000 0.146 0.000 1.288 382 I HN 0.640 nan 8.210 nan 0.000 0.444 383 T N 3.583 118.165 114.554 0.046 0.000 2.829 383 T HA 0.710 5.059 4.350 -0.001 0.000 0.282 383 T C -0.265 174.471 174.700 0.061 0.000 0.990 383 T CA -0.671 61.427 62.100 -0.002 0.000 1.028 383 T CB 1.872 70.665 68.868 -0.125 0.000 0.951 383 T HN 0.206 nan 8.240 nan 0.000 0.460 384 V N 4.192 124.161 119.914 0.092 0.000 2.357 384 V HA 0.392 4.511 4.120 -0.001 0.000 0.284 384 V C 0.673 176.858 176.094 0.152 0.000 1.018 384 V CA -0.784 61.606 62.300 0.151 0.000 0.841 384 V CB 0.769 32.669 31.823 0.129 0.000 0.991 384 V HN 1.110 nan 8.190 nan 0.000 0.437 385 N N 2.446 121.265 118.700 0.199 0.000 2.210 385 N HA 0.096 4.835 4.740 -0.001 0.000 0.203 385 N C -0.196 175.482 175.510 0.280 0.000 1.175 385 N CA -0.114 53.060 53.050 0.207 0.000 0.894 385 N CB 0.437 39.004 38.487 0.133 0.000 1.041 385 N HN 0.520 nan 8.380 nan 0.000 0.506 386 Y N 1.311 121.684 120.300 0.121 0.000 2.364 386 Y HA 0.337 4.886 4.550 -0.001 0.000 0.340 386 Y C -0.404 175.559 175.900 0.105 0.000 0.975 386 Y CA -1.543 56.607 58.100 0.083 0.000 1.089 386 Y CB 1.557 40.053 38.460 0.060 0.000 1.192 386 Y HN 0.145 nan 8.280 nan 0.000 0.454 387 D N 1.526 121.718 120.400 -0.346 0.000 2.449 387 D HA 0.262 4.901 4.640 -0.001 0.000 0.210 387 D C 1.329 177.345 176.300 -0.474 0.000 1.094 387 D CA 0.815 54.660 54.000 -0.258 0.000 0.846 387 D CB 0.688 41.487 40.800 -0.002 0.000 1.003 387 D HN 0.828 nan 8.370 nan 0.000 0.504 388 G N 0.179 108.336 108.800 -1.072 0.000 2.624 388 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.190 388 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.190 388 G C 1.069 175.701 174.900 -0.447 0.000 1.008 388 G CA 0.184 44.859 45.100 -0.709 0.000 0.731 388 G HN 0.318 nan 8.290 nan 0.000 0.478 389 K N -0.797 119.379 120.400 -0.374 0.000 2.703 389 K HA 0.210 4.530 4.320 -0.001 0.000 0.196 389 K C 0.097 176.690 176.600 -0.013 0.000 1.457 389 K CA -0.228 56.012 56.287 -0.077 0.000 1.115 389 K CB 0.526 32.996 32.500 -0.050 0.000 1.661 389 K HN 0.162 nan 8.250 nan 0.000 0.552 390 N N 1.646 120.266 118.700 -0.132 0.000 2.459 390 N HA 0.181 4.920 4.740 -0.001 0.000 0.288 390 N C -1.213 174.144 175.510 -0.255 0.000 1.186 390 N CA -0.338 52.574 53.050 -0.230 0.000 0.917 390 N CB 1.946 40.163 38.487 -0.449 0.000 1.219 390 N HN -0.055 nan 8.380 nan 0.000 0.525 391 K N 1.625 121.832 120.400 -0.323 0.000 2.394 391 K HA 0.316 4.636 4.320 -0.001 0.000 0.260 391 K C -1.445 174.948 176.600 -0.346 0.000 0.967 391 K CA -0.408 55.774 56.287 -0.174 0.000 0.855 391 K CB 0.529 33.010 32.500 -0.031 0.000 1.101 391 K HN 0.394 nan 8.250 nan 0.000 0.433 392 Y N 1.919 122.262 120.300 0.072 0.000 2.420 392 Y HA 0.337 4.887 4.550 -0.001 0.000 0.334 392 Y C 0.208 176.127 175.900 0.032 0.000 1.094 392 Y CA -0.732 57.393 58.100 0.042 0.000 1.126 392 Y CB 1.510 39.990 38.460 0.032 0.000 1.217 392 Y HN 0.410 nan 8.280 nan 0.000 0.462 393 K N 0.732 121.249 120.400 0.196 0.000 2.123 393 K HA 0.581 4.901 4.320 -0.001 0.000 0.259 393 K C -1.062 175.589 176.600 0.085 0.000 0.960 393 K CA -0.361 55.989 56.287 0.104 0.000 0.872 393 K CB 1.002 33.544 32.500 0.072 0.000 1.079 393 K HN 0.731 nan 8.250 nan 0.000 0.440 394 T N 2.309 116.895 114.554 0.054 0.000 2.841 394 T HA 0.365 4.714 4.350 -0.001 0.000 0.283 394 T C -1.222 173.499 174.700 0.036 0.000 1.000 394 T CA -0.611 61.515 62.100 0.043 0.000 0.977 394 T CB 1.481 70.373 68.868 0.041 0.000 0.979 394 T HN 0.291 nan 8.240 nan 0.000 0.446 395 V N 4.799 124.732 119.914 0.031 0.000 2.417 395 V HA 0.557 4.677 4.120 -0.001 0.000 0.291 395 V C -0.373 175.736 176.094 0.024 0.000 1.024 395 V CA -0.744 61.572 62.300 0.027 0.000 0.861 395 V CB 1.422 33.258 31.823 0.020 0.000 0.985 395 V HN 0.769 nan 8.190 nan 0.000 0.436 396 I N 3.764 124.350 120.570 0.027 0.000 2.418 396 I HA 0.548 4.717 4.170 -0.001 0.000 0.287 396 I C 1.005 177.119 176.117 -0.004 0.000 1.008 396 I CA -0.311 60.994 61.300 0.008 0.000 1.104 396 I CB 1.874 39.883 38.000 0.015 0.000 1.264 396 I HN 0.727 nan 8.210 nan 0.000 0.438 397 G N 5.008 113.798 108.800 -0.016 0.000 2.570 397 G HA2 0.151 4.110 3.960 -0.001 0.000 0.276 397 G HA3 0.151 4.110 3.960 -0.001 0.000 0.276 397 G C -0.065 174.819 174.900 -0.025 0.000 1.346 397 G CA -0.527 44.564 45.100 -0.015 0.000 1.034 397 G HN 0.600 nan 8.290 nan 0.000 0.512 398 N N 0.784 119.473 118.700 -0.018 0.000 2.513 398 N HA 0.119 4.859 4.740 -0.001 0.000 0.274 398 N C 0.227 175.723 175.510 -0.023 0.000 1.189 398 N CA -0.328 52.710 53.050 -0.020 0.000 0.975 398 N CB 0.667 39.147 38.487 -0.011 0.000 1.157 398 N HN 0.533 nan 8.380 nan 0.000 0.465 399 N N -1.639 117.046 118.700 -0.025 0.000 2.714 399 N HA -0.161 4.579 4.740 -0.001 0.000 0.250 399 N C -0.808 174.700 175.510 -0.003 0.000 1.117 399 N CA 0.403 53.447 53.050 -0.010 0.000 0.719 399 N CB -1.463 37.024 38.487 -0.000 0.000 1.081 399 N HN 0.240 nan 8.380 nan 0.000 0.557 400 V N 0.896 120.781 119.914 -0.048 0.000 2.649 400 V HA 0.275 4.394 4.120 -0.001 0.000 0.292 400 V C 0.397 176.455 176.094 -0.060 0.000 1.055 400 V CA -0.220 62.046 62.300 -0.056 0.000 1.023 400 V CB 0.928 32.681 31.823 -0.118 0.000 0.992 400 V HN 0.193 nan 8.190 nan 0.000 0.480 401 F N 4.794 124.663 119.950 -0.135 0.000 2.325 401 F HA 0.518 5.045 4.527 -0.001 0.000 0.369 401 F C -0.049 175.679 175.800 -0.120 0.000 1.095 401 F CA -0.577 57.349 58.000 -0.124 0.000 1.082 401 F CB 1.163 40.121 39.000 -0.069 0.000 1.289 401 F HN 0.255 nan 8.300 nan 0.000 0.462 402 V N 6.066 125.750 119.914 -0.385 0.000 2.372 402 V HA 0.343 4.462 4.120 -0.001 0.000 0.261 402 V C 1.045 177.028 176.094 -0.186 0.000 1.055 402 V CA -0.596 61.569 62.300 -0.224 0.000 0.930 402 V CB 0.319 31.982 31.823 -0.267 0.000 1.031 402 V HN 0.863 nan 8.190 nan 0.000 0.479 403 G N 3.975 112.786 108.800 0.018 0.000 2.474 403 G HA2 0.184 4.144 3.960 -0.001 0.000 0.233 403 G HA3 0.184 4.144 3.960 -0.001 0.000 0.233 403 G C 0.377 175.304 174.900 0.044 0.000 1.278 403 G CA -0.264 44.890 45.100 0.089 0.000 0.861 403 G HN 0.703 nan 8.290 nan 0.000 0.567 404 S N 0.936 116.670 115.700 0.058 0.000 2.563 404 S HA 0.027 4.497 4.470 -0.001 0.000 0.284 404 S C 1.186 175.820 174.600 0.055 0.000 1.331 404 S CA 0.119 58.349 58.200 0.051 0.000 1.047 404 S CB 0.446 63.671 63.200 0.041 0.000 0.859 404 S HN 0.875 nan 8.310 nan 0.000 0.514 405 N N 0.703 119.439 118.700 0.059 0.000 2.725 405 N HA -0.175 4.564 4.740 -0.001 0.000 0.249 405 N C -0.644 174.901 175.510 0.059 0.000 1.103 405 N CA 0.764 53.848 53.050 0.057 0.000 0.707 405 N CB -1.340 37.173 38.487 0.043 0.000 1.043 405 N HN 0.496 nan 8.380 nan 0.000 0.553 406 S N -0.755 114.985 115.700 0.067 0.000 2.632 406 S HA 0.553 5.022 4.470 -0.001 0.000 0.271 406 S C 0.192 174.835 174.600 0.071 0.000 1.260 406 S CA -0.163 58.075 58.200 0.063 0.000 1.010 406 S CB 1.513 64.750 63.200 0.061 0.000 0.965 406 S HN 0.230 nan 8.310 nan 0.000 0.534 407 T N 3.072 117.664 114.554 0.062 0.000 2.833 407 T HA 0.397 4.747 4.350 -0.001 0.000 0.297 407 T C -0.656 174.079 174.700 0.059 0.000 1.015 407 T CA -0.472 61.667 62.100 0.066 0.000 0.963 407 T CB 0.252 69.155 68.868 0.058 0.000 0.955 407 T HN 0.301 nan 8.240 nan 0.000 0.449 408 I N 4.739 125.349 120.570 0.066 0.000 2.306 408 I HA 0.365 4.534 4.170 -0.001 0.000 0.288 408 I C 0.159 176.307 176.117 0.051 0.000 1.036 408 I CA -0.890 60.443 61.300 0.055 0.000 1.221 408 I CB 0.427 38.466 38.000 0.065 0.000 1.385 408 I HN 0.616 nan 8.210 nan 0.000 0.472 409 I N 5.605 126.197 120.570 0.037 0.000 2.301 409 I HA 0.355 4.524 4.170 -0.001 0.000 0.292 409 I C 0.967 177.094 176.117 0.016 0.000 1.046 409 I CA -0.398 60.922 61.300 0.034 0.000 1.282 409 I CB 1.096 39.107 38.000 0.018 0.000 1.409 409 I HN 0.608 nan 8.210 nan 0.000 0.484 410 A N 9.633 132.479 122.820 0.044 0.000 2.406 410 A HA 0.472 4.791 4.320 -0.001 0.000 0.243 410 A C -2.255 175.284 177.584 -0.075 0.000 1.082 410 A CA -0.977 51.084 52.037 0.041 0.000 0.786 410 A CB -0.259 18.819 19.000 0.131 0.000 1.029 410 A HN 0.509 nan 8.150 nan 0.000 0.495 411 P HA 0.446 nan 4.420 nan 0.000 0.293 411 P C -0.837 176.440 177.300 -0.039 0.000 1.313 411 P CA -0.070 63.010 63.100 -0.034 0.000 0.787 411 P CB 0.988 32.671 31.700 -0.028 0.000 0.910 412 V N 0.029 119.941 119.914 -0.004 0.000 3.188 412 V HA 0.676 4.796 4.120 -0.001 0.000 0.305 412 V C -0.966 175.133 176.094 0.008 0.000 1.232 412 V CA -1.111 61.186 62.300 -0.005 0.000 1.043 412 V CB 2.460 34.281 31.823 -0.004 0.000 1.068 412 V HN 0.558 nan 8.190 nan 0.000 0.439 413 E N 1.545 121.748 120.200 0.004 0.000 2.256 413 E HA 0.629 4.979 4.350 -0.001 0.000 0.268 413 E C -1.776 174.826 176.600 0.002 0.000 0.877 413 E CA -0.856 55.548 56.400 0.006 0.000 0.757 413 E CB 2.160 31.863 29.700 0.005 0.000 1.183 413 E HN 0.829 nan 8.360 nan 0.000 0.418 414 L N 4.112 125.335 121.223 0.001 0.000 2.277 414 L HA 0.473 4.813 4.340 -0.001 0.000 0.284 414 L C 0.841 177.706 176.870 -0.009 0.000 1.028 414 L CA -0.867 53.969 54.840 -0.007 0.000 0.835 414 L CB 1.277 43.326 42.059 -0.017 0.000 1.215 414 L HN 0.631 nan 8.230 nan 0.000 0.425 415 G N 1.736 110.532 108.800 -0.007 0.000 2.664 415 G HA2 0.069 4.029 3.960 -0.001 0.000 0.242 415 G HA3 0.069 4.029 3.960 -0.001 0.000 0.242 415 G C -0.223 174.671 174.900 -0.009 0.000 1.225 415 G CA -0.579 44.517 45.100 -0.006 0.000 0.849 415 G HN 0.557 nan 8.290 nan 0.000 0.581 416 D N 0.590 120.985 120.400 -0.008 0.000 2.525 416 D HA -0.038 4.602 4.640 -0.001 0.000 0.235 416 D C 1.030 177.326 176.300 -0.007 0.000 1.137 416 D CA 0.578 54.572 54.000 -0.009 0.000 0.868 416 D CB 0.335 41.131 40.800 -0.007 0.000 1.180 416 D HN 0.487 nan 8.370 nan 0.000 0.465 417 N N -0.434 118.262 118.700 -0.007 0.000 2.753 417 N HA -0.202 4.537 4.740 -0.001 0.000 0.251 417 N C -0.116 175.396 175.510 0.003 0.000 1.097 417 N CA 0.966 54.015 53.050 -0.001 0.000 0.786 417 N CB -1.287 37.197 38.487 -0.005 0.000 1.137 417 N HN 0.538 nan 8.380 nan 0.000 0.566 418 S N 0.173 115.874 115.700 0.002 0.000 2.624 418 S HA 0.644 5.113 4.470 -0.001 0.000 0.263 418 S C 0.209 174.826 174.600 0.029 0.000 1.287 418 S CA -0.654 57.550 58.200 0.007 0.000 0.990 418 S CB 2.419 65.620 63.200 0.001 0.000 0.950 418 S HN 0.343 nan 8.310 nan 0.000 0.561 419 L N 1.170 122.415 121.223 0.035 0.000 2.436 419 L HA 0.662 5.002 4.340 -0.001 0.000 0.268 419 L C -1.693 175.216 176.870 0.066 0.000 0.974 419 L CA -0.777 54.109 54.840 0.077 0.000 0.826 419 L CB 1.943 44.031 42.059 0.049 0.000 1.291 419 L HN 0.642 nan 8.230 nan 0.000 0.406 420 V N 4.109 124.077 119.914 0.090 0.000 2.370 420 V HA 0.510 4.630 4.120 -0.001 0.000 0.283 420 V C 0.832 176.983 176.094 0.095 0.000 1.023 420 V CA -0.386 61.953 62.300 0.066 0.000 0.857 420 V CB 1.370 33.217 31.823 0.040 0.000 0.985 420 V HN 0.885 nan 8.190 nan 0.000 0.443 421 G N 3.725 112.566 108.800 0.070 0.000 2.432 421 G HA2 0.433 4.392 3.960 -0.001 0.000 0.239 421 G HA3 0.433 4.392 3.960 -0.001 0.000 0.239 421 G C 0.447 175.392 174.900 0.074 0.000 1.291 421 G CA 0.229 45.372 45.100 0.071 0.000 0.863 421 G HN 1.162 nan 8.290 nan 0.000 0.560 422 A N 1.005 123.877 122.820 0.087 0.000 2.540 422 A HA 0.520 4.839 4.320 -0.001 0.000 0.239 422 A C 1.708 179.324 177.584 0.053 0.000 1.061 422 A CA 1.131 53.214 52.037 0.076 0.000 0.758 422 A CB -0.230 18.820 19.000 0.082 0.000 0.991 422 A HN 2.628 nan 8.150 nan 0.000 0.502 423 G N 1.725 110.554 108.800 0.049 0.000 2.162 423 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.260 423 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.260 423 G C 0.413 175.335 174.900 0.037 0.000 0.976 423 G CA 0.454 45.578 45.100 0.040 0.000 0.655 423 G HN 1.213 nan 8.290 nan 0.000 0.533 424 S N 0.051 115.775 115.700 0.040 0.000 2.610 424 S HA 0.645 5.114 4.470 -0.001 0.000 0.273 424 S C 0.285 174.906 174.600 0.035 0.000 1.274 424 S CA 0.018 58.238 58.200 0.034 0.000 1.023 424 S CB 1.689 64.909 63.200 0.034 0.000 0.962 424 S HN 0.347 nan 8.310 nan 0.000 0.523 425 T N 3.510 118.081 114.554 0.028 0.000 2.788 425 T HA 0.396 4.746 4.350 -0.001 0.000 0.296 425 T C -0.395 174.318 174.700 0.022 0.000 1.009 425 T CA -0.446 61.670 62.100 0.028 0.000 0.949 425 T CB 0.092 68.975 68.868 0.024 0.000 0.946 425 T HN 0.307 nan 8.240 nan 0.000 0.453 426 I N 4.591 125.176 120.570 0.024 0.000 2.312 426 I HA 0.268 4.437 4.170 -0.001 0.000 0.290 426 I C 1.551 177.673 176.117 0.009 0.000 1.008 426 I CA -0.415 60.895 61.300 0.016 0.000 1.226 426 I CB 0.951 38.963 38.000 0.020 0.000 1.371 426 I HN 0.732 nan 8.210 nan 0.000 0.468 427 T N 2.309 116.863 114.554 -0.001 0.000 3.003 427 T HA 0.317 4.666 4.350 -0.001 0.000 0.261 427 T C 0.599 175.285 174.700 -0.023 0.000 1.003 427 T CA -0.109 61.982 62.100 -0.014 0.000 0.917 427 T CB 0.455 69.313 68.868 -0.017 0.000 1.084 427 T HN 0.431 nan 8.240 nan 0.000 0.522 428 K N 1.301 121.692 120.400 -0.014 0.000 2.443 428 K HA 0.492 4.811 4.320 -0.001 0.000 0.251 428 K C -1.385 175.209 176.600 -0.010 0.000 0.972 428 K CA -1.060 55.217 56.287 -0.017 0.000 0.833 428 K CB 1.373 33.864 32.500 -0.015 0.000 1.317 428 K HN -0.030 nan 8.250 nan 0.000 0.441 429 D N 1.206 121.599 120.400 -0.012 0.000 2.506 429 D HA 0.013 4.653 4.640 -0.001 0.000 0.234 429 D C -0.509 175.788 176.300 -0.004 0.000 1.143 429 D CA 0.334 54.330 54.000 -0.007 0.000 0.871 429 D CB 0.736 41.531 40.800 -0.008 0.000 1.190 429 D HN 0.010 nan 8.370 nan 0.000 0.459 430 V N 4.545 124.458 119.914 -0.002 0.000 2.350 430 V HA 0.234 4.354 4.120 -0.001 0.000 0.285 430 V C -2.043 174.049 176.094 -0.002 0.000 1.014 430 V CA -1.640 60.659 62.300 -0.001 0.000 0.831 430 V CB 1.626 33.450 31.823 0.002 0.000 1.000 430 V HN 0.379 nan 8.190 nan 0.000 0.433 431 P HA 0.144 nan 4.420 nan 0.000 0.269 431 P C -0.087 177.211 177.300 -0.003 0.000 1.217 431 P CA 0.044 63.143 63.100 -0.003 0.000 0.783 431 P CB 0.510 32.208 31.700 -0.003 0.000 0.898 432 A N 2.112 124.930 122.820 -0.004 0.000 2.531 432 A HA 0.069 4.388 4.320 -0.001 0.000 0.236 432 A C 0.888 178.470 177.584 -0.004 0.000 1.062 432 A CA 0.443 52.477 52.037 -0.004 0.000 0.760 432 A CB -0.798 18.200 19.000 -0.004 0.000 0.995 432 A HN 0.803 nan 8.150 nan 0.000 0.501 433 D N -1.456 118.941 120.400 -0.005 0.000 2.978 433 D HA -0.214 4.425 4.640 -0.001 0.000 0.205 433 D C 0.496 176.793 176.300 -0.006 0.000 1.093 433 D CA 1.591 55.587 54.000 -0.006 0.000 1.006 433 D CB -1.710 39.086 40.800 -0.007 0.000 1.116 433 D HN 1.079 nan 8.370 nan 0.000 0.419 434 A N 0.194 123.011 122.820 -0.004 0.000 2.264 434 A HA 0.706 5.026 4.320 -0.001 0.000 0.304 434 A C 0.308 177.892 177.584 0.000 0.000 1.100 434 A CA -0.333 51.702 52.037 -0.003 0.000 0.839 434 A CB 0.956 19.955 19.000 -0.002 0.000 1.121 434 A HN 0.186 nan 8.150 nan 0.000 0.496 435 I N 0.728 121.298 120.570 0.000 0.000 2.389 435 I HA 0.509 4.679 4.170 -0.001 0.000 0.288 435 I C 0.233 176.354 176.117 0.008 0.000 0.999 435 I CA -0.280 61.023 61.300 0.005 0.000 1.129 435 I CB 1.799 39.798 38.000 -0.002 0.000 1.288 435 I HN 0.666 nan 8.210 nan 0.000 0.444 436 A N 8.127 130.956 122.820 0.014 0.000 2.318 436 A HA 0.887 5.206 4.320 -0.001 0.000 0.324 436 A C -0.709 176.886 177.584 0.020 0.000 1.170 436 A CA -0.425 51.620 52.037 0.014 0.000 0.810 436 A CB 0.781 19.789 19.000 0.014 0.000 1.198 436 A HN 0.680 nan 8.150 nan 0.000 0.484 437 I N 1.675 122.254 120.570 0.016 0.000 2.533 437 I HA 0.581 4.751 4.170 -0.001 0.000 0.290 437 I C 0.395 176.522 176.117 0.015 0.000 1.056 437 I CA -0.509 60.802 61.300 0.018 0.000 1.057 437 I CB 2.730 40.739 38.000 0.015 0.000 1.240 437 I HN 0.760 nan 8.210 nan 0.000 0.423 438 G N 6.363 115.174 108.800 0.018 0.000 3.948 438 G HA2 0.528 4.487 3.960 -0.001 0.000 0.300 438 G HA3 0.528 4.487 3.960 -0.001 0.000 0.300 438 G C -0.687 174.223 174.900 0.017 0.000 1.318 438 G CA -0.491 44.618 45.100 0.015 0.000 0.768 438 G HN 0.687 nan 8.290 nan 0.000 0.504 439 R N -0.339 120.170 120.500 0.015 0.000 2.781 439 R HA 0.818 5.158 4.340 -0.001 0.000 0.269 439 R C -0.121 176.186 176.300 0.012 0.000 1.025 439 R CA -0.944 55.165 56.100 0.016 0.000 0.914 439 R CB 0.877 31.188 30.300 0.019 0.000 1.236 439 R HN 0.268 nan 8.270 nan 0.000 0.465 440 G N 0.745 109.552 108.800 0.011 0.000 2.476 440 G HA2 0.286 4.245 3.960 -0.001 0.000 0.269 440 G HA3 0.286 4.245 3.960 -0.001 0.000 0.269 440 G C -0.755 174.150 174.900 0.009 0.000 1.195 440 G CA -0.798 44.307 45.100 0.009 0.000 0.843 440 G HN 0.559 nan 8.290 nan 0.000 0.545 441 R N 0.632 121.136 120.500 0.007 0.000 2.490 441 R HA 0.143 4.482 4.340 -0.001 0.000 0.280 441 R C 0.317 176.621 176.300 0.006 0.000 1.077 441 R CA -0.327 55.777 56.100 0.006 0.000 1.065 441 R CB 0.529 30.831 30.300 0.005 0.000 1.003 441 R HN 0.630 nan 8.270 nan 0.000 0.470 442 Q N 4.490 124.294 119.800 0.006 0.000 2.296 442 Q HA 0.163 4.503 4.340 -0.001 0.000 0.262 442 Q C -0.928 175.075 176.000 0.004 0.000 0.981 442 Q CA -0.197 55.609 55.803 0.006 0.000 0.905 442 Q CB 0.738 29.480 28.738 0.006 0.000 1.186 442 Q HN 0.430 nan 8.270 nan 0.000 0.399 443 I N 4.190 124.763 120.570 0.004 0.000 2.439 443 I HA 0.313 4.482 4.170 -0.001 0.000 0.285 443 I C -0.745 175.374 176.117 0.003 0.000 1.021 443 I CA -0.866 60.436 61.300 0.003 0.000 1.091 443 I CB 1.362 39.364 38.000 0.003 0.000 1.242 443 I HN 0.615 nan 8.210 nan 0.000 0.439 444 N N 6.082 124.784 118.700 0.003 0.000 2.456 444 N HA 0.340 5.079 4.740 -0.001 0.000 0.288 444 N C -0.337 175.174 175.510 0.002 0.000 1.059 444 N CA -0.451 52.600 53.050 0.003 0.000 0.946 444 N CB 1.689 40.178 38.487 0.003 0.000 1.150 444 N HN 0.230 nan 8.380 nan 0.000 0.479 445 K N 1.752 122.154 120.400 0.002 0.000 2.449 445 K HA 0.291 4.611 4.320 -0.001 0.000 0.257 445 K C -0.871 175.730 176.600 0.002 0.000 0.989 445 K CA -0.675 55.613 56.287 0.002 0.000 0.916 445 K CB 1.169 33.670 32.500 0.002 0.000 1.136 445 K HN 0.441 nan 8.250 nan 0.000 0.439 446 D N 2.055 122.456 120.400 0.001 0.000 2.378 446 D HA 0.117 4.757 4.640 -0.001 0.000 0.238 446 D C 0.231 176.532 176.300 0.001 0.000 1.180 446 D CA 0.684 54.685 54.000 0.001 0.000 0.895 446 D CB 0.911 41.712 40.800 0.001 0.000 1.192 446 D HN 0.350 nan 8.370 nan 0.000 0.438 447 E N 0.000 120.201 120.200 0.001 0.000 2.725 447 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 447 E CA 0.000 56.401 56.400 0.001 0.000 0.976 447 E CB 0.000 29.701 29.700 0.001 0.000 0.812 447 E HN 0.000 nan 8.360 nan 0.000 0.440