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 3lg0_1_D DATA FIRST_RESID 8 DATA SEQUENCE KSSQDYMNNE LTYGAHNYDP IPVVLKRGKG VFVYDIEDRR YYDFLSAYSS DATA SEQUENCE VNQGHCHPDI LNAMINQAKK LTICSRAFFS DSLGVCERYL TNLFGYDKVL DATA SEQUENCE MMNTGAEASE TAYKLCRKWG YEVKKIPENS AKIIVCNNNF XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX GPFVPNFLKV PYDDLEALEK ELQDPNVCAF IVEPVQGEAG DATA SEQUENCE VIVPSDSYFP GVASLCKKYN VLFVADEVQT GLGRTGKLLC THHYGVKPDV DATA SEQUENCE ILLGKALSGG HYPISAILAN DDVMLVLKPG EHGSTYGGNP LAAAICVEAL DATA SEQUENCE KVLINEKLCE NADKLGAPFL QNLKEQLKDS KVVREVRGKG LLCAIEFKND DATA SEQUENCE LVNVWDICLK FKENGLITRS VHDKTVRLTP PLCITKEQLD ECTEIIVKTV DATA SEQUENCE KFFDDNL 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.692 176.600 0.153 0.000 0.988 8 K CA 0.000 56.329 56.287 0.070 0.000 0.838 8 K CB 0.000 32.534 32.500 0.057 0.000 1.064 9 S N -0.172 115.613 115.700 0.143 0.000 2.747 9 S HA 0.428 4.898 4.470 -0.001 0.000 0.300 9 S C 1.105 175.846 174.600 0.237 0.000 1.121 9 S CA -0.555 57.736 58.200 0.150 0.000 0.995 9 S CB 1.688 64.941 63.200 0.089 0.000 1.113 9 S HN 0.401 nan 8.310 nan 0.000 0.547 10 S N 0.470 116.267 115.700 0.160 0.000 2.370 10 S HA -0.180 4.290 4.470 -0.001 0.000 0.226 10 S C 1.947 176.642 174.600 0.160 0.000 1.033 10 S CA 1.795 60.082 58.200 0.146 0.000 1.011 10 S CB -0.631 62.614 63.200 0.074 0.000 0.852 10 S HN 0.787 nan 8.310 nan 0.000 0.457 11 Q N 1.598 121.466 119.800 0.114 0.000 2.084 11 Q HA -0.149 4.191 4.340 -0.001 0.000 0.202 11 Q C 1.375 177.427 176.000 0.087 0.000 0.978 11 Q CA 1.747 57.601 55.803 0.086 0.000 0.844 11 Q CB -0.488 28.285 28.738 0.058 0.000 0.898 11 Q HN 0.362 nan 8.270 nan 0.000 0.426 12 D N -0.984 119.466 120.400 0.084 0.000 2.116 12 D HA -0.192 4.447 4.640 -0.001 0.000 0.193 12 D C 1.675 177.978 176.300 0.005 0.000 0.998 12 D CA 1.378 55.389 54.000 0.018 0.000 0.836 12 D CB -0.415 40.360 40.800 -0.042 0.000 0.951 12 D HN 0.381 nan 8.370 nan 0.000 0.449 13 Y N 0.404 120.727 120.300 0.038 0.000 2.181 13 Y HA -0.105 4.445 4.550 -0.001 0.000 0.288 13 Y C 2.654 178.581 175.900 0.045 0.000 1.146 13 Y CA 0.951 59.077 58.100 0.044 0.000 1.164 13 Y CB -0.257 38.223 38.460 0.034 0.000 0.982 13 Y HN -0.074 nan 8.280 nan 0.000 0.515 14 M N -0.370 119.345 119.600 0.191 0.000 2.086 14 M HA -0.265 4.215 4.480 -0.001 0.000 0.261 14 M C 1.802 178.146 176.300 0.072 0.000 1.067 14 M CA 1.592 56.960 55.300 0.113 0.000 1.116 14 M CB -0.423 32.227 32.600 0.084 0.000 1.348 14 M HN 0.240 nan 8.290 nan 0.000 0.407 15 N N 0.670 119.402 118.700 0.053 0.000 2.120 15 N HA -0.166 4.574 4.740 -0.001 0.000 0.188 15 N C 1.372 176.895 175.510 0.022 0.000 1.024 15 N CA 1.410 54.473 53.050 0.022 0.000 0.852 15 N CB -0.798 37.695 38.487 0.010 0.000 1.003 15 N HN 0.361 nan 8.380 nan 0.000 0.424 16 N N 1.225 119.954 118.700 0.049 0.000 2.084 16 N HA -0.129 4.611 4.740 -0.001 0.000 0.190 16 N C 1.380 176.987 175.510 0.162 0.000 1.030 16 N CA 1.247 54.361 53.050 0.106 0.000 0.849 16 N CB -0.017 38.519 38.487 0.081 0.000 1.012 16 N HN 0.291 nan 8.380 nan 0.000 0.423 17 E N -0.267 120.022 120.200 0.148 0.000 2.153 17 E HA -0.145 4.204 4.350 -0.001 0.000 0.194 17 E C 1.955 178.643 176.600 0.146 0.000 0.988 17 E CA 0.707 57.203 56.400 0.161 0.000 0.811 17 E CB -0.118 29.667 29.700 0.140 0.000 0.746 17 E HN 0.442 nan 8.360 nan 0.000 0.466 18 L N 0.636 121.911 121.223 0.086 0.000 2.141 18 L HA -0.154 4.186 4.340 -0.001 0.000 0.209 18 L C 2.846 179.827 176.870 0.184 0.000 1.094 18 L CA 1.541 56.442 54.840 0.102 0.000 0.763 18 L CB -0.401 41.638 42.059 -0.033 0.000 0.908 18 L HN 0.280 nan 8.230 nan 0.000 0.437 19 T N -3.951 110.585 114.554 -0.031 0.000 2.937 19 T HA -0.134 4.216 4.350 -0.001 0.000 0.260 19 T C 1.447 175.956 174.700 -0.317 0.000 1.051 19 T CA 0.900 62.838 62.100 -0.270 0.000 1.141 19 T CB -0.276 68.236 68.868 -0.593 0.000 0.879 19 T HN 0.226 nan 8.240 nan 0.000 0.459 20 Y N 1.395 121.737 120.300 0.071 0.000 2.442 20 Y HA 0.561 5.110 4.550 -0.001 0.000 0.250 20 Y C 1.572 177.503 175.900 0.052 0.000 1.113 20 Y CA -0.958 57.169 58.100 0.045 0.000 1.273 20 Y CB 0.201 38.681 38.460 0.034 0.000 1.138 20 Y HN 0.411 nan 8.280 nan 0.000 0.522 21 G N 0.039 108.964 108.800 0.208 0.000 2.417 21 G HA2 0.595 4.554 3.960 -0.001 0.000 0.334 21 G HA3 0.595 4.554 3.960 -0.001 0.000 0.334 21 G C -0.555 174.440 174.900 0.158 0.000 1.150 21 G CA -0.429 44.776 45.100 0.176 0.000 0.923 21 G HN 0.238 nan 8.290 nan 0.000 0.485 22 A N 0.080 122.971 122.820 0.119 0.000 2.466 22 A HA 0.291 4.611 4.320 -0.001 0.000 0.238 22 A C 0.261 177.974 177.584 0.216 0.000 1.074 22 A CA -0.051 52.029 52.037 0.070 0.000 0.774 22 A CB -0.074 18.958 19.000 0.054 0.000 1.015 22 A HN 0.862 nan 8.150 nan 0.000 0.498 23 H N 1.477 120.563 119.070 0.025 0.000 2.655 23 H HA 0.044 4.600 4.556 -0.001 0.000 0.309 23 H C 0.583 175.901 175.328 -0.016 0.000 1.180 23 H CA -0.088 55.973 56.048 0.022 0.000 1.087 23 H CB 0.138 29.902 29.762 0.003 0.000 1.494 23 H HN 0.789 nan 8.280 nan 0.000 0.515 24 N N 0.092 118.828 118.700 0.061 0.000 2.336 24 N HA -0.073 4.666 4.740 -0.001 0.000 0.189 24 N C -0.436 174.842 175.510 -0.388 0.000 1.113 24 N CA 0.172 53.120 53.050 -0.169 0.000 0.858 24 N CB 0.183 38.509 38.487 -0.267 0.000 0.970 24 N HN 0.291 nan 8.380 nan 0.000 0.471 25 Y N -0.316 120.019 120.300 0.059 0.000 2.598 25 Y HA 0.424 4.974 4.550 -0.001 0.000 0.340 25 Y C -0.486 175.442 175.900 0.047 0.000 1.038 25 Y CA -1.354 56.777 58.100 0.052 0.000 1.100 25 Y CB 1.654 40.150 38.460 0.060 0.000 1.281 25 Y HN -0.156 nan 8.280 nan 0.000 0.488 26 D N 1.881 122.429 120.400 0.247 0.000 2.613 26 D HA 0.360 4.999 4.640 -0.001 0.000 0.312 26 D C -2.828 173.644 176.300 0.286 0.000 1.202 26 D CA -1.879 52.217 54.000 0.160 0.000 0.825 26 D CB 0.366 41.188 40.800 0.036 0.000 1.113 26 D HN 0.131 nan 8.370 nan 0.000 0.502 27 P HA 0.241 nan 4.420 nan 0.000 0.274 27 P C 0.239 177.729 177.300 0.317 0.000 1.231 27 P CA -0.723 62.520 63.100 0.239 0.000 0.790 27 P CB 0.813 32.588 31.700 0.125 0.000 0.951 28 I N 2.880 123.522 120.570 0.119 0.000 2.815 28 I HA -0.022 4.148 4.170 -0.001 0.000 0.291 28 I C -1.701 174.402 176.117 -0.022 0.000 1.209 28 I CA -1.782 59.453 61.300 -0.108 0.000 1.431 28 I CB -0.473 37.368 38.000 -0.263 0.000 1.351 28 I HN 0.249 nan 8.210 nan 0.000 0.585 29 P HA 0.166 nan 4.420 nan 0.000 0.230 29 P C -0.490 176.781 177.300 -0.049 0.000 1.791 29 P CA 0.186 63.294 63.100 0.014 0.000 1.020 29 P CB 0.190 31.922 31.700 0.053 0.000 1.977 30 V N 2.451 122.309 119.914 -0.094 0.000 2.709 30 V HA 0.398 4.518 4.120 -0.001 0.000 0.308 30 V C -0.837 175.187 176.094 -0.116 0.000 1.062 30 V CA -0.980 61.230 62.300 -0.150 0.000 0.901 30 V CB 2.773 34.387 31.823 -0.348 0.000 1.003 30 V HN -0.130 nan 8.190 nan 0.000 0.425 31 V N 8.035 127.893 119.914 -0.093 0.000 2.313 31 V HA 0.450 4.569 4.120 -0.001 0.000 0.278 31 V C 0.050 176.065 176.094 -0.131 0.000 1.017 31 V CA -0.443 61.791 62.300 -0.109 0.000 0.823 31 V CB 1.093 32.847 31.823 -0.115 0.000 1.010 31 V HN 0.693 nan 8.190 nan 0.000 0.443 32 L N 5.157 126.302 121.223 -0.130 0.000 2.375 32 L HA 0.515 4.854 4.340 -0.001 0.000 0.271 32 L C 1.086 177.885 176.870 -0.119 0.000 1.107 32 L CA -0.290 54.488 54.840 -0.103 0.000 0.806 32 L CB 1.039 43.032 42.059 -0.111 0.000 1.146 32 L HN 0.763 nan 8.230 nan 0.000 0.447 33 K N 1.209 121.564 120.400 -0.075 0.000 2.529 33 K HA 0.291 4.610 4.320 -0.001 0.000 0.215 33 K C 0.370 176.948 176.600 -0.037 0.000 1.286 33 K CA -0.470 55.768 56.287 -0.083 0.000 0.997 33 K CB 1.086 33.525 32.500 -0.102 0.000 1.063 33 K HN 0.532 nan 8.250 nan 0.000 0.590 34 R N 0.301 120.808 120.500 0.011 0.000 2.604 34 R HA 0.467 4.807 4.340 -0.001 0.000 0.270 34 R C -1.638 174.715 176.300 0.088 0.000 1.052 34 R CA -0.633 55.493 56.100 0.043 0.000 0.902 34 R CB 2.262 32.572 30.300 0.016 0.000 1.233 34 R HN 0.217 nan 8.270 nan 0.000 0.455 35 G N 2.019 110.826 108.800 0.012 0.000 2.620 35 G HA2 0.573 4.532 3.960 -0.001 0.000 0.301 35 G HA3 0.573 4.532 3.960 -0.001 0.000 0.301 35 G C -1.807 173.166 174.900 0.122 0.000 1.347 35 G CA -0.406 44.635 45.100 -0.098 0.000 0.971 35 G HN 0.429 nan 8.290 nan 0.000 0.488 36 K N 0.659 121.189 120.400 0.217 0.000 2.589 36 K HA 0.606 4.925 4.320 -0.001 0.000 0.253 36 K C 0.709 177.440 176.600 0.218 0.000 0.974 36 K CA 0.722 57.146 56.287 0.228 0.000 0.835 36 K CB 1.135 33.762 32.500 0.212 0.000 1.272 36 K HN 1.902 nan 8.250 nan 0.000 0.444 37 G N 1.933 110.829 108.800 0.160 0.000 2.660 37 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.321 37 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.321 37 G C 0.668 175.600 174.900 0.054 0.000 1.246 37 G CA 0.389 45.538 45.100 0.081 0.000 1.000 37 G HN 1.048 nan 8.290 nan 0.000 0.550 38 V N 1.039 120.877 119.914 -0.126 0.000 3.649 38 V HA 0.528 4.647 4.120 -0.001 0.000 0.275 38 V C 0.135 176.022 176.094 -0.344 0.000 1.281 38 V CA 0.601 62.748 62.300 -0.255 0.000 1.143 38 V CB -0.641 30.952 31.823 -0.383 0.000 0.892 38 V HN 0.376 nan 8.190 nan 0.000 0.441 39 F N -0.283 119.651 119.950 -0.025 0.000 2.522 39 F HA 0.682 5.209 4.527 -0.001 0.000 0.324 39 F C 0.070 175.687 175.800 -0.306 0.000 1.077 39 F CA -1.095 56.759 58.000 -0.245 0.000 0.944 39 F CB 1.807 40.567 39.000 -0.401 0.000 1.175 39 F HN -0.119 nan 8.300 nan 0.000 0.468 40 V N -0.281 119.501 119.914 -0.220 0.000 3.074 40 V HA 0.706 4.826 4.120 -0.001 0.000 0.314 40 V C -1.795 174.026 176.094 -0.455 0.000 1.117 40 V CA -1.216 60.919 62.300 -0.275 0.000 1.014 40 V CB 2.061 33.759 31.823 -0.208 0.000 1.057 40 V HN 0.638 nan 8.190 nan 0.000 0.438 41 Y N 0.735 121.048 120.300 0.022 0.000 2.421 41 Y HA 0.639 5.188 4.550 -0.001 0.000 0.339 41 Y C -0.225 175.696 175.900 0.035 0.000 0.996 41 Y CA -0.851 57.270 58.100 0.035 0.000 1.046 41 Y CB 1.706 40.140 38.460 -0.043 0.000 1.226 41 Y HN 0.972 nan 8.280 nan 0.000 0.445 42 D N 0.883 121.423 120.400 0.232 0.000 2.506 42 D HA 0.175 4.814 4.640 -0.001 0.000 0.272 42 D C 1.020 177.354 176.300 0.057 0.000 1.214 42 D CA -0.430 53.643 54.000 0.122 0.000 1.067 42 D CB 0.768 41.673 40.800 0.174 0.000 1.117 42 D HN 0.308 nan 8.370 nan 0.000 0.578 43 I N -0.470 120.098 120.570 -0.004 0.000 2.264 43 I HA -0.208 3.962 4.170 -0.001 0.000 0.248 43 I C 1.387 177.520 176.117 0.026 0.000 1.111 43 I CA 1.420 62.709 61.300 -0.019 0.000 1.382 43 I CB -1.384 36.603 38.000 -0.020 0.000 1.060 43 I HN 0.452 nan 8.210 nan 0.000 0.418 44 E N 0.481 120.707 120.200 0.043 0.000 2.403 44 E HA 0.002 4.351 4.350 -0.001 0.000 0.188 44 E C 0.075 176.690 176.600 0.024 0.000 1.056 44 E CA 0.021 56.442 56.400 0.035 0.000 0.892 44 E CB -0.272 29.451 29.700 0.038 0.000 1.049 44 E HN 0.227 nan 8.360 nan 0.000 0.465 45 D N 0.063 120.485 120.400 0.037 0.000 3.077 45 D HA -0.220 4.420 4.640 -0.001 0.000 0.217 45 D C -0.332 175.986 176.300 0.031 0.000 1.162 45 D CA 0.701 54.725 54.000 0.040 0.000 0.943 45 D CB -0.865 39.932 40.800 -0.006 0.000 1.122 45 D HN 0.347 nan 8.370 nan 0.000 0.413 46 R N 0.695 121.188 120.500 -0.011 0.000 2.643 46 R HA 0.346 4.686 4.340 -0.001 0.000 0.270 46 R C 0.931 177.060 176.300 -0.285 0.000 1.061 46 R CA 0.028 56.016 56.100 -0.187 0.000 1.107 46 R CB 1.057 31.192 30.300 -0.276 0.000 0.999 46 R HN 0.102 nan 8.270 nan 0.000 0.460 47 R N 2.182 122.378 120.500 -0.506 0.000 2.589 47 R HA 0.323 4.662 4.340 -0.001 0.000 0.293 47 R C -1.368 174.484 176.300 -0.748 0.000 0.963 47 R CA -0.530 55.192 56.100 -0.630 0.000 0.905 47 R CB 0.922 30.836 30.300 -0.643 0.000 1.144 47 R HN 0.537 nan 8.270 nan 0.000 0.459 48 Y N 1.755 121.874 120.300 -0.302 0.000 2.512 48 Y HA 0.306 4.856 4.550 -0.001 0.000 0.348 48 Y C -0.861 175.067 175.900 0.048 0.000 0.990 48 Y CA -0.905 57.144 58.100 -0.087 0.000 1.033 48 Y CB 1.287 39.715 38.460 -0.052 0.000 1.259 48 Y HN 0.443 nan 8.280 nan 0.000 0.461 49 Y N 1.441 121.934 120.300 0.321 0.000 2.465 49 Y HA 0.070 4.620 4.550 -0.001 0.000 0.331 49 Y C 0.468 176.497 175.900 0.215 0.000 1.102 49 Y CA 0.005 58.248 58.100 0.238 0.000 1.358 49 Y CB 0.475 39.054 38.460 0.199 0.000 1.213 49 Y HN 0.492 nan 8.280 nan 0.000 0.525 50 D N 3.678 124.247 120.400 0.282 0.000 2.365 50 D HA 0.047 4.687 4.640 -0.001 0.000 0.237 50 D C -0.503 175.902 176.300 0.176 0.000 1.190 50 D CA 0.080 54.192 54.000 0.187 0.000 0.867 50 D CB 0.065 40.965 40.800 0.166 0.000 1.050 50 D HN 0.398 nan 8.370 nan 0.000 0.491 51 F N 3.298 123.207 119.950 -0.069 0.000 2.641 51 F HA 0.170 4.697 4.527 -0.001 0.000 0.302 51 F C 1.309 177.020 175.800 -0.148 0.000 1.098 51 F CA -0.251 57.676 58.000 -0.123 0.000 1.318 51 F CB 0.416 39.315 39.000 -0.167 0.000 1.035 51 F HN 0.350 nan 8.300 nan 0.000 0.551 52 L N -0.872 120.295 121.223 -0.093 0.000 2.467 52 L HA 0.220 4.560 4.340 -0.001 0.000 0.213 52 L C 1.350 178.061 176.870 -0.265 0.000 1.053 52 L CA 0.907 55.604 54.840 -0.238 0.000 0.847 52 L CB -0.231 41.633 42.059 -0.324 0.000 1.075 52 L HN -0.031 nan 8.230 nan 0.000 0.479 53 S N 0.601 116.188 115.700 -0.188 0.000 3.641 53 S HA -0.214 4.256 4.470 -0.001 0.000 0.346 53 S C 0.824 175.313 174.600 -0.184 0.000 1.074 53 S CA 0.894 58.978 58.200 -0.194 0.000 1.026 53 S CB -2.320 60.755 63.200 -0.207 0.000 0.908 53 S HN 1.299 nan 8.310 nan 0.000 0.479 54 A N -0.792 121.917 122.820 -0.185 0.000 2.640 54 A HA -0.204 4.115 4.320 -0.001 0.000 0.300 54 A C 0.558 178.140 177.584 -0.004 0.000 1.499 54 A CA 1.425 53.395 52.037 -0.112 0.000 0.759 54 A CB -2.209 16.774 19.000 -0.029 0.000 1.048 54 A HN 1.849 nan 8.150 nan 0.000 0.450 55 Y N -2.430 117.846 120.300 -0.041 0.000 3.168 55 Y HA -0.186 4.363 4.550 -0.001 0.000 0.207 55 Y C 1.312 177.185 175.900 -0.045 0.000 1.280 55 Y CA 1.476 59.555 58.100 -0.035 0.000 1.235 55 Y CB -2.344 36.103 38.460 -0.021 0.000 1.370 55 Y HN 1.476 nan 8.280 nan 0.000 0.537 56 S N -3.568 112.132 115.700 0.000 0.000 2.765 56 S HA -0.308 4.162 4.470 -0.001 0.000 0.266 56 S C 1.542 176.126 174.600 -0.028 0.000 1.302 56 S CA 1.008 59.193 58.200 -0.024 0.000 1.274 56 S CB -1.379 61.824 63.200 0.004 0.000 1.559 56 S HN 0.666 nan 8.310 nan 0.000 0.658 57 S N 0.524 116.214 115.700 -0.017 0.000 2.382 57 S HA -0.077 4.392 4.470 -0.001 0.000 0.228 57 S C 1.385 175.944 174.600 -0.067 0.000 1.027 57 S CA 1.476 59.661 58.200 -0.024 0.000 0.991 57 S CB -0.135 63.058 63.200 -0.012 0.000 0.823 57 S HN 1.090 nan 8.310 nan 0.000 0.469 58 V N 0.249 120.076 119.914 -0.145 0.000 2.908 58 V HA 0.435 4.554 4.120 -0.001 0.000 0.369 58 V C 0.584 176.580 176.094 -0.163 0.000 1.259 58 V CA -0.572 61.608 62.300 -0.201 0.000 1.406 58 V CB -0.449 31.088 31.823 -0.476 0.000 1.475 58 V HN 0.050 nan 8.190 nan 0.000 0.587 59 N N 1.924 120.561 118.700 -0.104 0.000 2.137 59 N HA -0.189 4.550 4.740 -0.001 0.000 0.190 59 N C 1.574 177.043 175.510 -0.069 0.000 1.017 59 N CA 1.823 54.820 53.050 -0.089 0.000 0.859 59 N CB -0.235 38.215 38.487 -0.061 0.000 1.002 59 N HN 0.700 nan 8.380 nan 0.000 0.428 60 Q N -0.368 119.406 119.800 -0.044 0.000 2.444 60 Q HA 0.318 4.657 4.340 -0.001 0.000 0.206 60 Q C 0.560 176.605 176.000 0.077 0.000 0.948 60 Q CA 0.395 56.199 55.803 0.003 0.000 0.946 60 Q CB 0.166 28.874 28.738 -0.049 0.000 1.027 60 Q HN 0.348 nan 8.270 nan 0.000 0.513 61 G N -0.170 108.624 108.800 -0.009 0.000 2.690 61 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.686 61 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.686 61 G C -1.257 173.653 174.900 0.017 0.000 1.277 61 G CA -0.956 44.140 45.100 -0.007 0.000 0.799 61 G HN 0.345 nan 8.290 nan 0.000 0.613 62 H N -0.932 118.166 119.070 0.046 0.000 2.815 62 H HA 0.350 4.905 4.556 -0.001 0.000 0.350 62 H C 1.526 176.910 175.328 0.094 0.000 1.080 62 H CA 1.105 57.184 56.048 0.052 0.000 1.433 62 H CB 0.517 30.300 29.762 0.036 0.000 1.432 62 H HN 1.251 nan 8.280 nan 0.000 0.592 63 C N 3.042 122.478 119.300 0.227 0.000 3.899 63 C HA -0.204 4.256 4.460 -0.001 0.000 0.297 63 C C 0.558 175.705 174.990 0.261 0.000 1.371 63 C CA 0.164 59.320 59.018 0.231 0.000 2.088 63 C CB -2.750 25.079 27.740 0.148 0.000 1.346 63 C HN 0.783 nan 8.230 nan 0.000 0.658 64 H N 1.697 120.908 119.070 0.235 0.000 2.975 64 H HA 0.127 4.683 4.556 -0.001 0.000 0.303 64 H C -1.170 174.192 175.328 0.057 0.000 1.023 64 H CA -0.785 55.328 56.048 0.109 0.000 1.473 64 H CB 1.139 30.936 29.762 0.059 0.000 1.498 64 H HN 0.237 nan 8.280 nan 0.000 0.549 65 P HA -0.101 nan 4.420 nan 0.000 0.218 65 P C 0.918 178.292 177.300 0.124 0.000 1.149 65 P CA 0.858 63.997 63.100 0.065 0.000 0.817 65 P CB 0.558 32.241 31.700 -0.028 0.000 0.785 66 D N -0.525 120.051 120.400 0.293 0.000 2.097 66 D HA -0.105 4.535 4.640 -0.001 0.000 0.195 66 D C 1.996 178.292 176.300 -0.008 0.000 0.989 66 D CA 1.006 55.088 54.000 0.137 0.000 0.827 66 D CB -0.741 40.141 40.800 0.137 0.000 0.966 66 D HN 0.174 nan 8.370 nan 0.000 0.456 67 I N 0.393 120.921 120.570 -0.070 0.000 2.179 67 I HA -0.228 3.941 4.170 -0.001 0.000 0.242 67 I C 2.328 178.256 176.117 -0.315 0.000 1.088 67 I CA 0.496 61.626 61.300 -0.284 0.000 1.357 67 I CB -0.225 37.487 38.000 -0.481 0.000 1.051 67 I HN 0.026 nan 8.210 nan 0.000 0.409 68 L N 1.418 122.501 121.223 -0.234 0.000 2.079 68 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 68 L C 2.046 178.899 176.870 -0.029 0.000 1.081 68 L CA 1.998 56.799 54.840 -0.066 0.000 0.752 68 L CB -1.103 41.013 42.059 0.094 0.000 0.896 68 L HN 0.212 nan 8.230 nan 0.000 0.433 69 N N -0.309 118.375 118.700 -0.025 0.000 2.084 69 N HA -0.147 4.592 4.740 -0.001 0.000 0.190 69 N C 1.832 177.320 175.510 -0.037 0.000 1.030 69 N CA 1.671 54.710 53.050 -0.018 0.000 0.849 69 N CB -0.314 38.167 38.487 -0.009 0.000 1.012 69 N HN 0.495 nan 8.380 nan 0.000 0.423 70 A N 0.404 123.183 122.820 -0.067 0.000 1.972 70 A HA -0.164 4.156 4.320 -0.001 0.000 0.219 70 A C 2.259 179.802 177.584 -0.069 0.000 1.169 70 A CA 1.505 53.495 52.037 -0.078 0.000 0.635 70 A CB -0.667 18.266 19.000 -0.112 0.000 0.810 70 A HN 0.519 nan 8.150 nan 0.000 0.446 71 M N -0.452 119.107 119.600 -0.068 0.000 2.067 71 M HA -0.104 4.376 4.480 -0.001 0.000 0.260 71 M C 1.952 178.250 176.300 -0.002 0.000 1.069 71 M CA 1.911 57.193 55.300 -0.031 0.000 1.117 71 M CB -0.300 32.305 32.600 0.009 0.000 1.334 71 M HN 0.421 nan 8.290 nan 0.000 0.407 72 I N 0.681 121.255 120.570 0.006 0.000 2.226 72 I HA -0.341 3.828 4.170 -0.001 0.000 0.245 72 I C 1.929 178.048 176.117 0.003 0.000 1.100 72 I CA 1.086 62.395 61.300 0.015 0.000 1.374 72 I CB -0.857 37.154 38.000 0.018 0.000 1.057 72 I HN 0.390 nan 8.210 nan 0.000 0.413 73 N N 0.595 119.289 118.700 -0.009 0.000 2.069 73 N HA -0.256 4.484 4.740 -0.001 0.000 0.191 73 N C 1.862 177.362 175.510 -0.015 0.000 1.031 73 N CA 1.373 54.415 53.050 -0.014 0.000 0.852 73 N CB -0.412 38.062 38.487 -0.023 0.000 1.018 73 N HN 0.343 nan 8.380 nan 0.000 0.423 74 Q N 0.652 120.437 119.800 -0.024 0.000 2.123 74 Q HA 0.174 4.514 4.340 -0.001 0.000 0.199 74 Q C 1.746 177.740 176.000 -0.010 0.000 0.966 74 Q CA 1.456 57.243 55.803 -0.026 0.000 0.845 74 Q CB -0.447 28.262 28.738 -0.048 0.000 0.907 74 Q HN 0.321 nan 8.270 nan 0.000 0.439 75 A N 0.356 123.177 122.820 0.001 0.000 2.019 75 A HA -0.162 4.157 4.320 -0.001 0.000 0.219 75 A C 1.886 179.483 177.584 0.022 0.000 1.164 75 A CA 1.453 53.503 52.037 0.021 0.000 0.644 75 A CB -0.353 18.671 19.000 0.041 0.000 0.805 75 A HN 0.374 nan 8.150 nan 0.000 0.449 76 K N -0.326 120.082 120.400 0.013 0.000 2.155 76 K HA -0.085 4.235 4.320 -0.001 0.000 0.203 76 K C 1.951 178.557 176.600 0.009 0.000 1.052 76 K CA 1.497 57.791 56.287 0.012 0.000 0.948 76 K CB -0.070 32.434 32.500 0.007 0.000 0.728 76 K HN 0.432 nan 8.250 nan 0.000 0.448 77 K N -0.148 120.254 120.400 0.004 0.000 2.044 77 K HA 0.054 4.373 4.320 -0.001 0.000 0.204 77 K C -0.018 176.586 176.600 0.006 0.000 1.045 77 K CA 0.607 56.895 56.287 0.002 0.000 0.951 77 K CB 0.254 32.752 32.500 -0.003 0.000 0.738 77 K HN -0.088 nan 8.250 nan 0.000 0.443 78 L N -0.258 120.970 121.223 0.008 0.000 2.787 78 L HA 0.058 4.397 4.340 -0.001 0.000 0.260 78 L C 0.166 177.046 176.870 0.016 0.000 0.921 78 L CA -0.050 54.798 54.840 0.014 0.000 0.984 78 L CB 1.567 43.633 42.059 0.012 0.000 1.519 78 L HN 0.202 nan 8.230 nan 0.000 0.452 79 T N 2.268 116.842 114.554 0.032 0.000 3.042 79 T HA 0.408 4.757 4.350 -0.001 0.000 0.245 79 T C 0.560 175.289 174.700 0.049 0.000 1.029 79 T CA 0.676 62.805 62.100 0.049 0.000 1.120 79 T CB 0.264 69.189 68.868 0.096 0.000 0.917 79 T HN 0.444 nan 8.240 nan 0.000 0.467 80 I N 1.565 122.156 120.570 0.034 0.000 2.710 80 I HA 0.516 4.685 4.170 -0.001 0.000 0.290 80 I C -1.434 174.688 176.117 0.008 0.000 1.318 80 I CA -1.234 60.064 61.300 -0.003 0.000 1.045 80 I CB 1.729 39.684 38.000 -0.074 0.000 1.307 80 I HN 0.597 nan 8.210 nan 0.000 0.424 81 C N 3.517 122.833 119.300 0.026 0.000 2.719 81 C HA 0.906 5.366 4.460 -0.001 0.000 0.327 81 C C 0.722 175.721 174.990 0.017 0.000 1.238 81 C CA -0.313 58.760 59.018 0.093 0.000 1.727 81 C CB 0.933 28.793 27.740 0.200 0.000 2.256 81 C HN 0.826 nan 8.230 nan 0.000 0.489 82 S N 0.965 116.656 115.700 -0.014 0.000 2.646 82 S HA 0.454 4.923 4.470 -0.001 0.000 0.273 82 S C 0.749 175.248 174.600 -0.168 0.000 1.168 82 S CA -0.526 57.590 58.200 -0.140 0.000 1.013 82 S CB 0.324 63.400 63.200 -0.208 0.000 1.098 82 S HN 0.793 nan 8.310 nan 0.000 0.544 83 R N 0.118 120.501 120.500 -0.195 0.000 2.319 83 R HA 0.286 4.625 4.340 -0.001 0.000 0.204 83 R C 1.777 177.883 176.300 -0.323 0.000 0.954 83 R CA 0.613 56.585 56.100 -0.213 0.000 1.066 83 R CB -1.682 28.532 30.300 -0.143 0.000 0.991 83 R HN 0.760 nan 8.270 nan 0.000 0.486 84 A N 0.222 122.753 122.820 -0.481 0.000 2.119 84 A HA 0.063 4.383 4.320 -0.001 0.000 0.217 84 A C 0.218 177.317 177.584 -0.808 0.000 1.153 84 A CA 0.897 52.507 52.037 -0.712 0.000 0.692 84 A CB -0.036 18.366 19.000 -0.996 0.000 0.799 84 A HN 0.087 nan 8.150 nan 0.000 0.458 85 F N -3.252 116.614 119.950 -0.140 0.000 2.654 85 F HA 0.690 5.217 4.527 -0.001 0.000 0.334 85 F C -0.345 175.337 175.800 -0.198 0.000 1.078 85 F CA -2.067 55.867 58.000 -0.111 0.000 0.986 85 F CB 0.484 39.477 39.000 -0.010 0.000 1.362 85 F HN -0.081 nan 8.300 nan 0.000 0.498 86 F N 0.478 120.554 119.950 0.210 0.000 2.397 86 F HA 0.568 5.095 4.527 -0.001 0.000 0.331 86 F C 0.540 176.395 175.800 0.092 0.000 1.090 86 F CA -0.411 57.654 58.000 0.109 0.000 1.065 86 F CB 1.662 40.707 39.000 0.075 0.000 1.184 86 F HN 0.443 nan 8.300 nan 0.000 0.499 87 S N 0.024 115.880 115.700 0.260 0.000 2.689 87 S HA 0.317 4.787 4.470 -0.001 0.000 0.306 87 S C 0.320 174.998 174.600 0.129 0.000 1.104 87 S CA -0.575 57.717 58.200 0.153 0.000 0.973 87 S CB 1.643 64.898 63.200 0.092 0.000 1.121 87 S HN 0.651 nan 8.310 nan 0.000 0.523 88 D N 0.687 121.129 120.400 0.071 0.000 2.162 88 D HA -0.074 4.565 4.640 -0.001 0.000 0.203 88 D C 1.747 178.068 176.300 0.035 0.000 0.967 88 D CA 1.227 55.252 54.000 0.043 0.000 0.840 88 D CB -0.788 40.024 40.800 0.019 0.000 0.972 88 D HN 0.442 nan 8.370 nan 0.000 0.482 89 S N -0.335 115.381 115.700 0.027 0.000 2.383 89 S HA -0.092 4.378 4.470 -0.001 0.000 0.227 89 S C 1.868 176.479 174.600 0.018 0.000 1.026 89 S CA 0.500 58.705 58.200 0.007 0.000 0.981 89 S CB -0.461 62.730 63.200 -0.014 0.000 0.818 89 S HN 0.219 nan 8.310 nan 0.000 0.472 90 L N 1.927 123.173 121.223 0.039 0.000 2.013 90 L HA 0.022 4.361 4.340 -0.001 0.000 0.212 90 L C 2.329 179.235 176.870 0.060 0.000 1.073 90 L CA 2.477 57.346 54.840 0.047 0.000 0.753 90 L CB -1.452 40.648 42.059 0.068 0.000 0.890 90 L HN 0.366 nan 8.230 nan 0.000 0.432 91 G N -1.456 107.389 108.800 0.076 0.000 2.422 91 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.218 91 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.218 91 G C 1.526 176.462 174.900 0.059 0.000 1.140 91 G CA 0.951 46.094 45.100 0.071 0.000 0.775 91 G HN 0.361 nan 8.290 nan 0.000 0.545 92 V N 0.496 120.437 119.914 0.046 0.000 2.255 92 V HA -0.263 3.857 4.120 -0.001 0.000 0.247 92 V C 2.969 179.108 176.094 0.076 0.000 1.051 92 V CA 1.787 64.115 62.300 0.047 0.000 1.018 92 V CB -1.066 30.767 31.823 0.017 0.000 0.641 92 V HN 0.573 nan 8.190 nan 0.000 0.445 93 C N 0.514 119.845 119.300 0.053 0.000 2.393 93 C HA -0.224 4.236 4.460 -0.001 0.000 0.276 93 C C 2.766 177.838 174.990 0.137 0.000 1.215 93 C CA 1.949 61.012 59.018 0.076 0.000 1.743 93 C CB -1.102 26.654 27.740 0.027 0.000 2.044 93 C HN 0.689 nan 8.230 nan 0.000 0.464 94 E N -0.239 120.020 120.200 0.098 0.000 2.077 94 E HA -0.253 4.096 4.350 -0.001 0.000 0.193 94 E C 2.429 179.090 176.600 0.102 0.000 0.989 94 E CA 1.354 57.809 56.400 0.092 0.000 0.800 94 E CB -0.354 29.389 29.700 0.071 0.000 0.746 94 E HN 0.650 nan 8.360 nan 0.000 0.452 95 R N 0.188 120.747 120.500 0.098 0.000 2.073 95 R HA -0.218 4.122 4.340 -0.001 0.000 0.234 95 R C 2.351 178.708 176.300 0.095 0.000 1.134 95 R CA 1.541 57.691 56.100 0.082 0.000 0.952 95 R CB -0.428 29.914 30.300 0.071 0.000 0.850 95 R HN 0.221 nan 8.270 nan 0.000 0.433 96 Y N 1.170 121.485 120.300 0.024 0.000 2.081 96 Y HA -0.277 4.273 4.550 -0.000 0.000 0.280 96 Y C 1.920 177.850 175.900 0.051 0.000 1.163 96 Y CA 2.128 60.240 58.100 0.020 0.000 1.135 96 Y CB -0.310 38.155 38.460 0.009 0.000 0.970 96 Y HN 0.074 nan 8.280 nan 0.000 0.498 97 L N -0.599 120.738 121.223 0.189 0.000 2.056 97 L HA -0.198 4.142 4.340 -0.001 0.000 0.207 97 L C 2.587 179.563 176.870 0.178 0.000 1.078 97 L CA 1.811 56.777 54.840 0.209 0.000 0.749 97 L CB -1.036 41.171 42.059 0.247 0.000 0.901 97 L HN 0.409 nan 8.230 nan 0.000 0.433 98 T N -3.184 111.438 114.554 0.113 0.000 2.777 98 T HA -0.122 4.227 4.350 -0.001 0.000 0.266 98 T C 1.730 176.472 174.700 0.069 0.000 1.040 98 T CA 1.225 63.399 62.100 0.123 0.000 1.141 98 T CB -0.401 68.521 68.868 0.090 0.000 0.868 98 T HN 0.198 nan 8.240 nan 0.000 0.444 99 N N 1.601 120.286 118.700 -0.025 0.000 2.084 99 N HA -0.007 4.732 4.740 -0.001 0.000 0.190 99 N C 1.812 177.223 175.510 -0.165 0.000 1.030 99 N CA 0.966 53.961 53.050 -0.092 0.000 0.849 99 N CB -0.838 37.575 38.487 -0.122 0.000 1.012 99 N HN 0.251 nan 8.380 nan 0.000 0.423 100 L N 0.110 121.153 121.223 -0.300 0.000 2.013 100 L HA -0.100 4.239 4.340 -0.001 0.000 0.212 100 L C 1.524 178.138 176.870 -0.426 0.000 1.073 100 L CA 1.743 56.300 54.840 -0.473 0.000 0.753 100 L CB -0.696 40.929 42.059 -0.723 0.000 0.890 100 L HN 0.062 nan 8.230 nan 0.000 0.432 101 F N -0.412 119.498 119.950 -0.067 0.000 2.746 101 F HA 0.372 4.898 4.527 -0.001 0.000 0.297 101 F C 1.663 177.501 175.800 0.064 0.000 1.113 101 F CA 0.460 58.483 58.000 0.038 0.000 1.367 101 F CB -0.267 38.801 39.000 0.113 0.000 1.111 101 F HN 0.187 nan 8.300 nan 0.000 0.590 102 G N 0.483 109.358 108.800 0.124 0.000 2.291 102 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.271 102 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.271 102 G C -0.658 174.103 174.900 -0.231 0.000 1.099 102 G CA -0.404 44.660 45.100 -0.061 0.000 0.919 102 G HN 0.352 nan 8.290 nan 0.000 0.496 103 Y N -0.923 119.393 120.300 0.027 0.000 2.536 103 Y HA 0.443 4.993 4.550 -0.000 0.000 0.347 103 Y C 1.243 177.146 175.900 0.004 0.000 1.000 103 Y CA -0.826 57.277 58.100 0.006 0.000 1.051 103 Y CB 1.405 39.857 38.460 -0.013 0.000 1.259 103 Y HN 0.070 nan 8.280 nan 0.000 0.468 104 D N 1.008 121.494 120.400 0.143 0.000 2.104 104 D HA -0.103 4.537 4.640 -0.001 0.000 0.194 104 D C -0.088 176.266 176.300 0.090 0.000 0.994 104 D CA 1.771 55.824 54.000 0.088 0.000 0.830 104 D CB 0.254 41.097 40.800 0.071 0.000 0.959 104 D HN 0.436 nan 8.370 nan 0.000 0.452 105 K N -0.639 119.820 120.400 0.100 0.000 2.477 105 K HA 0.582 4.901 4.320 -0.001 0.000 0.255 105 K C -1.390 175.226 176.600 0.026 0.000 0.952 105 K CA -0.683 55.640 56.287 0.060 0.000 0.826 105 K CB 3.722 36.251 32.500 0.048 0.000 1.331 105 K HN -0.216 nan 8.250 nan 0.000 0.437 106 V N 2.557 122.478 119.914 0.012 0.000 3.007 106 V HA 0.581 4.701 4.120 -0.001 0.000 0.311 106 V C -1.979 174.101 176.094 -0.023 0.000 1.120 106 V CA -0.920 61.364 62.300 -0.027 0.000 0.980 106 V CB 2.052 33.865 31.823 -0.015 0.000 1.033 106 V HN 0.569 nan 8.190 nan 0.000 0.429 107 L N 6.819 128.011 121.223 -0.051 0.000 2.372 107 L HA 0.682 5.021 4.340 -0.001 0.000 0.274 107 L C -0.790 176.051 176.870 -0.049 0.000 0.988 107 L CA -0.536 54.277 54.840 -0.045 0.000 0.833 107 L CB 1.697 43.721 42.059 -0.059 0.000 1.236 107 L HN 0.614 nan 8.230 nan 0.000 0.410 108 M N 6.269 125.852 119.600 -0.028 0.000 2.216 108 M HA 0.519 4.999 4.480 -0.001 0.000 0.356 108 M C -0.136 176.156 176.300 -0.012 0.000 1.205 108 M CA 0.130 55.420 55.300 -0.017 0.000 1.122 108 M CB 1.161 33.763 32.600 0.002 0.000 1.571 108 M HN 0.692 nan 8.290 nan 0.000 0.464 109 M N 1.475 121.071 119.600 -0.005 0.000 2.970 109 M HA 0.497 4.976 4.480 -0.001 0.000 0.284 109 M C 0.360 176.686 176.300 0.043 0.000 1.254 109 M CA -0.939 54.366 55.300 0.010 0.000 0.744 109 M CB 1.164 33.752 32.600 -0.021 0.000 1.758 109 M HN 0.399 nan 8.290 nan 0.000 0.428 110 N N 0.300 119.027 118.700 0.046 0.000 2.420 110 N HA 0.081 4.820 4.740 -0.001 0.000 0.185 110 N C 0.494 176.015 175.510 0.018 0.000 1.033 110 N CA 1.209 54.295 53.050 0.059 0.000 0.879 110 N CB 0.288 38.806 38.487 0.051 0.000 1.071 110 N HN 0.827 nan 8.380 nan 0.000 0.437 111 T N -2.890 111.660 114.554 -0.006 0.000 2.942 111 T HA 0.555 4.905 4.350 -0.001 0.000 0.289 111 T C 1.308 175.990 174.700 -0.029 0.000 1.044 111 T CA -0.518 61.569 62.100 -0.021 0.000 1.023 111 T CB 2.011 70.862 68.868 -0.029 0.000 1.123 111 T HN 0.086 nan 8.240 nan 0.000 0.512 112 G N 0.331 109.113 108.800 -0.030 0.000 2.442 112 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.219 112 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.219 112 G C 1.658 176.535 174.900 -0.038 0.000 1.141 112 G CA 0.858 45.940 45.100 -0.030 0.000 0.763 112 G HN 1.122 nan 8.290 nan 0.000 0.554 113 A N 0.700 123.493 122.820 -0.044 0.000 1.898 113 A HA 0.011 4.331 4.320 -0.001 0.000 0.216 113 A C 2.143 179.681 177.584 -0.077 0.000 1.181 113 A CA 1.885 53.886 52.037 -0.060 0.000 0.620 113 A CB -0.385 18.585 19.000 -0.049 0.000 0.819 113 A HN 0.447 nan 8.150 nan 0.000 0.442 114 E N -0.305 119.860 120.200 -0.059 0.000 2.085 114 E HA -0.147 4.203 4.350 -0.001 0.000 0.194 114 E C 2.289 178.832 176.600 -0.095 0.000 0.994 114 E CA 1.031 57.393 56.400 -0.063 0.000 0.801 114 E CB -0.266 29.410 29.700 -0.039 0.000 0.743 114 E HN 0.631 nan 8.360 nan 0.000 0.453 115 A N 0.715 123.479 122.820 -0.093 0.000 1.898 115 A HA -0.170 4.150 4.320 -0.001 0.000 0.216 115 A C 2.321 179.804 177.584 -0.169 0.000 1.181 115 A CA 1.581 53.550 52.037 -0.113 0.000 0.620 115 A CB -0.403 18.540 19.000 -0.095 0.000 0.819 115 A HN 0.128 nan 8.150 nan 0.000 0.442 116 S N 0.011 115.602 115.700 -0.183 0.000 2.353 116 S HA -0.157 4.312 4.470 -0.001 0.000 0.222 116 S C 1.926 176.015 174.600 -0.851 0.000 1.035 116 S CA 1.448 59.425 58.200 -0.372 0.000 1.025 116 S CB -0.339 62.731 63.200 -0.216 0.000 0.902 116 S HN 0.599 nan 8.310 nan 0.000 0.440 117 E N 1.010 120.899 120.200 -0.518 0.000 2.077 117 E HA -0.086 4.264 4.350 -0.001 0.000 0.193 117 E C 2.308 178.796 176.600 -0.188 0.000 0.989 117 E CA 1.270 57.469 56.400 -0.334 0.000 0.800 117 E CB -0.914 28.743 29.700 -0.072 0.000 0.746 117 E HN 0.472 nan 8.360 nan 0.000 0.452 118 T N 1.385 115.844 114.554 -0.157 0.000 2.821 118 T HA -0.080 4.270 4.350 -0.001 0.000 0.267 118 T C 1.968 176.623 174.700 -0.075 0.000 1.046 118 T CA 1.358 63.405 62.100 -0.087 0.000 1.139 118 T CB -0.205 68.608 68.868 -0.092 0.000 0.871 118 T HN 0.273 nan 8.240 nan 0.000 0.454 119 A N 0.937 123.670 122.820 -0.145 0.000 1.908 119 A HA -0.117 4.203 4.320 -0.001 0.000 0.218 119 A C 2.032 179.661 177.584 0.075 0.000 1.181 119 A CA 1.442 53.433 52.037 -0.077 0.000 0.627 119 A CB -1.007 17.929 19.000 -0.106 0.000 0.818 119 A HN 0.506 nan 8.150 nan 0.000 0.445 120 Y N 0.450 120.814 120.300 0.107 0.000 2.128 120 Y HA -0.188 4.361 4.550 -0.001 0.000 0.284 120 Y C 2.326 178.267 175.900 0.069 0.000 1.154 120 Y CA 1.293 59.464 58.100 0.119 0.000 1.149 120 Y CB -0.826 37.760 38.460 0.211 0.000 0.976 120 Y HN 0.330 nan 8.280 nan 0.000 0.505 121 K N -0.466 120.065 120.400 0.218 0.000 2.057 121 K HA -0.155 4.164 4.320 -0.001 0.000 0.206 121 K C 2.074 178.749 176.600 0.126 0.000 1.050 121 K CA 1.294 57.674 56.287 0.155 0.000 0.935 121 K CB -0.594 31.978 32.500 0.120 0.000 0.715 121 K HN 0.156 nan 8.250 nan 0.000 0.439 122 L N 1.353 122.632 121.223 0.094 0.000 2.017 122 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 122 L C 2.117 179.059 176.870 0.119 0.000 1.073 122 L CA 1.752 56.643 54.840 0.085 0.000 0.745 122 L CB -0.619 41.457 42.059 0.029 0.000 0.894 122 L HN 0.192 nan 8.230 nan 0.000 0.432 123 C N -0.185 119.177 119.300 0.102 0.000 2.432 123 C HA -0.126 4.334 4.460 -0.001 0.000 0.277 123 C C 2.813 177.878 174.990 0.126 0.000 1.249 123 C CA 0.951 60.032 59.018 0.105 0.000 1.725 123 C CB -1.025 26.768 27.740 0.087 0.000 2.028 123 C HN 0.512 nan 8.230 nan 0.000 0.477 124 R N 0.691 121.214 120.500 0.038 0.000 2.092 124 R HA -0.129 4.211 4.340 -0.001 0.000 0.231 124 R C 2.249 178.420 176.300 -0.215 0.000 1.119 124 R CA 1.179 57.185 56.100 -0.157 0.000 0.970 124 R CB -0.328 29.921 30.300 -0.084 0.000 0.864 124 R HN 0.550 nan 8.270 nan 0.000 0.440 125 K N -0.081 120.366 120.400 0.078 0.000 2.155 125 K HA -0.180 4.140 4.320 -0.001 0.000 0.203 125 K C 1.803 178.501 176.600 0.163 0.000 1.052 125 K CA 1.096 57.493 56.287 0.184 0.000 0.948 125 K CB -0.118 32.498 32.500 0.194 0.000 0.728 125 K HN 0.199 nan 8.250 nan 0.000 0.448 126 W N 0.830 122.124 121.300 -0.011 0.000 2.388 126 W HA -0.056 4.603 4.660 -0.001 0.000 0.294 126 W C 1.664 178.158 176.519 -0.042 0.000 1.212 126 W CA 1.804 59.146 57.345 -0.005 0.000 1.271 126 W CB -0.534 28.927 29.460 0.001 0.000 1.126 126 W HN 0.117 nan 8.180 nan 0.000 0.535 127 G N -0.206 108.630 108.800 0.060 0.000 2.446 127 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.217 127 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.217 127 G C 1.126 175.829 174.900 -0.330 0.000 1.168 127 G CA 1.459 46.426 45.100 -0.222 0.000 0.771 127 G HN 0.361 nan 8.290 nan 0.000 0.551 128 Y N 0.645 120.902 120.300 -0.071 0.000 2.184 128 Y HA 0.114 4.664 4.550 -0.001 0.000 0.290 128 Y C 2.821 178.646 175.900 -0.126 0.000 1.129 128 Y CA 0.958 59.012 58.100 -0.078 0.000 1.144 128 Y CB -0.451 37.995 38.460 -0.024 0.000 0.995 128 Y HN 0.260 nan 8.280 nan 0.000 0.513 129 E N -0.571 119.635 120.200 0.011 0.000 2.072 129 E HA -0.093 4.256 4.350 -0.001 0.000 0.190 129 E C 2.114 178.603 176.600 -0.186 0.000 0.982 129 E CA 1.422 57.791 56.400 -0.052 0.000 0.803 129 E CB -0.053 29.641 29.700 -0.011 0.000 0.755 129 E HN 0.224 nan 8.360 nan 0.000 0.453 130 V N 0.663 120.317 119.914 -0.435 0.000 2.521 130 V HA -0.071 4.049 4.120 -0.001 0.000 0.239 130 V C 2.061 177.830 176.094 -0.542 0.000 1.053 130 V CA 1.046 63.016 62.300 -0.550 0.000 1.073 130 V CB -0.039 31.234 31.823 -0.917 0.000 0.746 130 V HN 0.033 nan 8.190 nan 0.000 0.476 131 K N -0.023 119.913 120.400 -0.774 0.000 2.459 131 K HA -0.028 4.292 4.320 -0.001 0.000 0.193 131 K C 0.407 176.871 176.600 -0.226 0.000 1.030 131 K CA 0.240 56.236 56.287 -0.485 0.000 1.026 131 K CB 0.185 32.357 32.500 -0.546 0.000 0.809 131 K HN 0.064 nan 8.250 nan 0.000 0.504 132 K N 0.497 120.788 120.400 -0.182 0.000 3.069 132 K HA -0.205 4.114 4.320 -0.001 0.000 0.267 132 K C -0.480 176.125 176.600 0.008 0.000 1.082 132 K CA 0.723 56.975 56.287 -0.058 0.000 0.782 132 K CB -2.384 30.085 32.500 -0.052 0.000 1.230 132 K HN 0.353 nan 8.250 nan 0.000 0.488 133 I N 1.777 122.362 120.570 0.025 0.000 2.752 133 I HA -0.042 4.127 4.170 -0.001 0.000 0.287 133 I C -1.389 174.864 176.117 0.226 0.000 1.188 133 I CA -1.476 59.881 61.300 0.094 0.000 1.427 133 I CB 0.098 38.112 38.000 0.022 0.000 1.365 133 I HN -0.101 nan 8.210 nan 0.000 0.585 134 P HA -0.013 nan 4.420 nan 0.000 0.267 134 P C -0.750 176.630 177.300 0.132 0.000 1.201 134 P CA -0.002 63.160 63.100 0.104 0.000 0.775 134 P CB 0.342 32.083 31.700 0.069 0.000 0.854 135 E N 2.044 122.211 120.200 -0.055 0.000 2.415 135 E HA -0.031 4.319 4.350 -0.001 0.000 0.262 135 E C 0.525 177.052 176.600 -0.122 0.000 1.038 135 E CA 0.006 56.230 56.400 -0.293 0.000 0.921 135 E CB -0.201 29.340 29.700 -0.266 0.000 0.950 135 E HN 0.375 nan 8.360 nan 0.000 0.438 136 N N 0.526 119.117 118.700 -0.182 0.000 2.778 136 N HA -0.196 4.543 4.740 -0.001 0.000 0.249 136 N C 0.045 175.644 175.510 0.148 0.000 1.069 136 N CA 1.562 54.636 53.050 0.040 0.000 0.831 136 N CB -1.268 37.213 38.487 -0.010 0.000 1.142 136 N HN 0.546 nan 8.380 nan 0.000 0.573 137 S N -2.501 113.347 115.700 0.247 0.000 2.937 137 S HA 0.537 5.006 4.470 -0.001 0.000 0.252 137 S C 0.365 175.039 174.600 0.124 0.000 1.022 137 S CA 0.175 58.468 58.200 0.154 0.000 1.079 137 S CB 0.679 63.945 63.200 0.109 0.000 1.035 137 S HN 0.498 nan 8.310 nan 0.000 0.594 138 A N 2.126 125.027 122.820 0.135 0.000 2.492 138 A HA 0.475 4.795 4.320 -0.001 0.000 0.254 138 A C 0.141 177.658 177.584 -0.113 0.000 1.091 138 A CA 0.051 52.021 52.037 -0.112 0.000 0.768 138 A CB 0.121 18.822 19.000 -0.497 0.000 1.028 138 A HN 0.550 nan 8.150 nan 0.000 0.498 139 K N 2.013 122.352 120.400 -0.103 0.000 2.164 139 K HA 0.627 4.947 4.320 -0.001 0.000 0.258 139 K C -1.064 175.441 176.600 -0.157 0.000 0.951 139 K CA -0.218 55.983 56.287 -0.143 0.000 0.844 139 K CB 1.842 34.299 32.500 -0.071 0.000 1.099 139 K HN 0.664 nan 8.250 nan 0.000 0.435 140 I N 3.961 124.358 120.570 -0.289 0.000 2.404 140 I HA 0.328 4.498 4.170 -0.001 0.000 0.293 140 I C -0.277 175.837 176.117 -0.006 0.000 0.992 140 I CA -0.805 60.389 61.300 -0.176 0.000 1.149 140 I CB 1.407 39.199 38.000 -0.347 0.000 1.315 140 I HN 0.378 nan 8.210 nan 0.000 0.446 141 I N 6.928 127.597 120.570 0.165 0.000 2.365 141 I HA 0.396 4.566 4.170 -0.001 0.000 0.291 141 I C 0.059 176.464 176.117 0.481 0.000 1.004 141 I CA -0.556 60.916 61.300 0.286 0.000 1.311 141 I CB 1.278 39.420 38.000 0.237 0.000 1.401 141 I HN 0.339 nan 8.210 nan 0.000 0.491 142 V N 2.792 122.972 119.914 0.443 0.000 3.158 142 V HA 0.586 4.705 4.120 -0.001 0.000 0.311 142 V C -0.380 175.971 176.094 0.429 0.000 1.181 142 V CA -0.860 61.712 62.300 0.454 0.000 1.054 142 V CB 1.689 33.791 31.823 0.467 0.000 1.085 142 V HN 0.811 nan 8.190 nan 0.000 0.446 143 C N 1.289 120.830 119.300 0.402 0.000 2.382 143 C HA 0.451 4.910 4.460 -0.001 0.000 0.363 143 C C 1.879 177.015 174.990 0.243 0.000 1.213 143 C CA -0.173 59.062 59.018 0.360 0.000 2.363 143 C CB 0.835 28.839 27.740 0.441 0.000 2.397 143 C HN 1.028 nan 8.230 nan 0.000 0.573 144 N N 1.172 119.987 118.700 0.191 0.000 2.109 144 N HA -0.051 4.689 4.740 -0.001 0.000 0.188 144 N C 1.105 176.665 175.510 0.082 0.000 1.034 144 N CA 1.476 54.598 53.050 0.121 0.000 0.846 144 N CB -0.067 38.481 38.487 0.100 0.000 1.010 144 N HN 0.612 nan 8.380 nan 0.000 0.425 145 N N 0.279 119.023 118.700 0.073 0.000 2.299 145 N HA -0.001 4.739 4.740 -0.001 0.000 0.187 145 N C 0.799 176.352 175.510 0.071 0.000 1.099 145 N CA 0.201 53.279 53.050 0.046 0.000 0.867 145 N CB 0.351 38.852 38.487 0.023 0.000 0.974 145 N HN 0.414 nan 8.380 nan 0.000 0.477 146 N N -0.942 117.809 118.700 0.085 0.000 2.984 146 N HA 0.112 4.852 4.740 -0.001 0.000 0.235 146 N C -0.101 175.492 175.510 0.139 0.000 1.025 146 N CA -0.201 52.912 53.050 0.105 0.000 1.173 146 N CB 0.042 38.568 38.487 0.064 0.000 1.615 146 N HN -0.123 nan 8.380 nan 0.000 0.560 169 P HA 0.380 nan 4.420 nan 0.000 0.265 169 P C -0.823 176.527 177.300 0.084 0.000 1.193 169 P CA -0.160 62.974 63.100 0.056 0.000 0.765 169 P CB 0.384 32.090 31.700 0.010 0.000 0.823 170 F N 4.083 124.030 119.950 -0.004 0.000 2.410 170 F HA 0.449 4.975 4.527 -0.001 0.000 0.348 170 F C -0.470 175.336 175.800 0.010 0.000 1.106 170 F CA -0.446 57.562 58.000 0.012 0.000 1.163 170 F CB 0.785 39.797 39.000 0.019 0.000 1.129 170 F HN 0.120 nan 8.300 nan 0.000 0.516 171 V N 8.232 127.652 119.914 -0.824 0.000 2.638 171 V HA 0.489 4.609 4.120 -0.001 0.000 0.306 171 V C -2.383 173.262 176.094 -0.749 0.000 1.052 171 V CA -2.555 59.388 62.300 -0.594 0.000 0.885 171 V CB 1.936 33.576 31.823 -0.304 0.000 0.999 171 V HN 0.689 nan 8.190 nan 0.000 0.424 172 P HA 0.089 nan 4.420 nan 0.000 0.261 172 P C 0.204 177.458 177.300 -0.076 0.000 1.165 172 P CA 0.929 63.955 63.100 -0.124 0.000 0.759 172 P CB 0.121 31.862 31.700 0.069 0.000 0.772 173 N N 0.058 118.701 118.700 -0.096 0.000 2.778 173 N HA -0.206 4.534 4.740 -0.001 0.000 0.249 173 N C -0.860 174.424 175.510 -0.377 0.000 1.069 173 N CA 1.077 54.023 53.050 -0.174 0.000 0.831 173 N CB -1.826 36.550 38.487 -0.184 0.000 1.142 173 N HN 0.324 nan 8.380 nan 0.000 0.573 174 F N 0.790 120.606 119.950 -0.223 0.000 2.402 174 F HA 0.459 4.986 4.527 -0.001 0.000 0.355 174 F C 0.701 176.426 175.800 -0.125 0.000 1.123 174 F CA -0.635 57.257 58.000 -0.180 0.000 1.021 174 F CB 0.976 39.832 39.000 -0.240 0.000 1.160 174 F HN -0.183 nan 8.300 nan 0.000 0.451 175 L N 4.945 126.219 121.223 0.085 0.000 2.276 175 L HA 0.410 4.750 4.340 -0.001 0.000 0.286 175 L C -0.132 176.819 176.870 0.134 0.000 1.061 175 L CA -0.567 54.325 54.840 0.087 0.000 0.807 175 L CB 0.845 42.934 42.059 0.051 0.000 1.177 175 L HN 0.504 nan 8.230 nan 0.000 0.429 176 K N 3.763 124.235 120.400 0.119 0.000 2.235 176 K HA 0.563 4.883 4.320 -0.001 0.000 0.266 176 K C -0.690 175.977 176.600 0.113 0.000 0.980 176 K CA -0.546 55.822 56.287 0.135 0.000 0.849 176 K CB 2.284 34.850 32.500 0.111 0.000 1.098 176 K HN 0.458 nan 8.250 nan 0.000 0.445 177 V N 0.496 120.493 119.914 0.138 0.000 2.960 177 V HA 0.596 4.716 4.120 -0.001 0.000 0.315 177 V C -2.763 173.407 176.094 0.128 0.000 1.087 177 V CA -3.053 59.304 62.300 0.094 0.000 0.982 177 V CB 1.595 33.440 31.823 0.037 0.000 1.039 177 V HN 0.511 nan 8.190 nan 0.000 0.437 178 P HA 0.195 nan 4.420 nan 0.000 0.271 178 P C -1.080 176.290 177.300 0.116 0.000 1.218 178 P CA 0.115 63.270 63.100 0.091 0.000 0.780 178 P CB 0.090 31.810 31.700 0.034 0.000 0.901 179 Y N 2.378 122.672 120.300 -0.009 0.000 2.480 179 Y HA 0.034 4.583 4.550 -0.001 0.000 0.338 179 Y C 1.332 177.029 175.900 -0.338 0.000 1.220 179 Y CA 0.987 59.031 58.100 -0.094 0.000 1.430 179 Y CB -0.022 38.407 38.460 -0.052 0.000 1.311 179 Y HN 0.534 nan 8.280 nan 0.000 0.575 180 D N 2.506 122.032 120.400 -1.457 0.000 2.945 180 D HA -0.236 4.404 4.640 -0.001 0.000 0.225 180 D C -1.325 174.542 176.300 -0.720 0.000 1.158 180 D CA 1.302 54.289 54.000 -1.689 0.000 0.805 180 D CB -1.232 39.033 40.800 -0.893 0.000 1.098 180 D HN 0.611 nan 8.370 nan 0.000 0.426 181 D N 0.224 120.395 120.400 -0.382 0.000 2.404 181 D HA 0.222 4.862 4.640 -0.001 0.000 0.267 181 D C 1.648 177.942 176.300 -0.011 0.000 1.194 181 D CA -0.535 53.392 54.000 -0.122 0.000 0.910 181 D CB 0.060 40.808 40.800 -0.088 0.000 1.090 181 D HN 0.188 nan 8.370 nan 0.000 0.511 182 L N 1.961 123.200 121.223 0.027 0.000 2.131 182 L HA -0.135 4.205 4.340 -0.001 0.000 0.210 182 L C 2.021 178.840 176.870 -0.084 0.000 1.092 182 L CA 1.088 55.910 54.840 -0.031 0.000 0.759 182 L CB -0.024 42.010 42.059 -0.043 0.000 0.903 182 L HN 0.401 nan 8.230 nan 0.000 0.435 183 E N 0.301 120.463 120.200 -0.064 0.000 2.015 183 E HA -0.200 4.150 4.350 -0.001 0.000 0.191 183 E C 2.350 178.899 176.600 -0.084 0.000 0.991 183 E CA 1.160 57.520 56.400 -0.066 0.000 0.802 183 E CB -0.265 29.407 29.700 -0.047 0.000 0.759 183 E HN 0.481 nan 8.360 nan 0.000 0.447 184 A N 1.362 124.136 122.820 -0.076 0.000 1.978 184 A HA -0.172 4.148 4.320 -0.001 0.000 0.220 184 A C 2.158 179.666 177.584 -0.126 0.000 1.170 184 A CA 1.034 53.025 52.037 -0.077 0.000 0.636 184 A CB -0.477 18.494 19.000 -0.049 0.000 0.810 184 A HN 0.201 nan 8.150 nan 0.000 0.448 185 L N 0.039 121.157 121.223 -0.175 0.000 1.988 185 L HA -0.109 4.231 4.340 -0.001 0.000 0.207 185 L C 2.282 178.957 176.870 -0.324 0.000 1.071 185 L CA 2.704 57.361 54.840 -0.306 0.000 0.744 185 L CB -0.882 40.925 42.059 -0.419 0.000 0.893 185 L HN 0.576 nan 8.230 nan 0.000 0.433 186 E N -0.481 119.548 120.200 -0.286 0.000 2.130 186 E HA -0.319 4.031 4.350 -0.001 0.000 0.196 186 E C 2.254 178.661 176.600 -0.321 0.000 0.998 186 E CA 1.462 57.659 56.400 -0.338 0.000 0.806 186 E CB -0.148 29.442 29.700 -0.182 0.000 0.738 186 E HN 0.480 nan 8.360 nan 0.000 0.459 187 K N 0.088 120.370 120.400 -0.197 0.000 2.103 187 K HA -0.187 4.132 4.320 -0.001 0.000 0.207 187 K C 1.867 178.373 176.600 -0.157 0.000 1.048 187 K CA 1.482 57.685 56.287 -0.140 0.000 0.930 187 K CB 0.123 32.569 32.500 -0.090 0.000 0.716 187 K HN 0.124 nan 8.250 nan 0.000 0.444 188 E N 0.397 120.485 120.200 -0.186 0.000 2.190 188 E HA -0.053 4.296 4.350 -0.001 0.000 0.191 188 E C 2.007 178.483 176.600 -0.207 0.000 0.978 188 E CA 0.361 56.667 56.400 -0.156 0.000 0.839 188 E CB 0.079 29.703 29.700 -0.127 0.000 0.787 188 E HN 0.345 nan 8.360 nan 0.000 0.473 189 L N 1.449 122.461 121.223 -0.353 0.000 2.265 189 L HA -0.199 4.141 4.340 -0.001 0.000 0.215 189 L C 2.414 179.015 176.870 -0.447 0.000 1.117 189 L CA 0.698 55.258 54.840 -0.466 0.000 0.782 189 L CB -0.318 41.266 42.059 -0.793 0.000 0.914 189 L HN 0.073 nan 8.230 nan 0.000 0.441 190 Q N -0.204 119.380 119.800 -0.360 0.000 2.077 190 Q HA -0.185 4.155 4.340 -0.001 0.000 0.206 190 Q C 0.786 176.783 176.000 -0.005 0.000 0.989 190 Q CA 0.905 56.647 55.803 -0.102 0.000 0.853 190 Q CB -0.775 27.935 28.738 -0.048 0.000 0.907 190 Q HN 0.391 nan 8.270 nan 0.000 0.418 191 D N 2.018 122.398 120.400 -0.034 0.000 2.502 191 D HA -0.063 4.577 4.640 -0.001 0.000 0.249 191 D C -1.440 174.876 176.300 0.026 0.000 1.188 191 D CA -1.021 52.979 54.000 0.000 0.000 0.890 191 D CB 0.941 41.736 40.800 -0.010 0.000 1.140 191 D HN 0.034 nan 8.370 nan 0.000 0.505 192 P HA -0.084 nan 4.420 nan 0.000 0.226 192 P C 0.343 177.671 177.300 0.047 0.000 1.153 192 P CA 0.489 63.624 63.100 0.058 0.000 0.777 192 P CB 0.416 32.145 31.700 0.049 0.000 0.794 193 N N -0.213 118.508 118.700 0.035 0.000 2.383 193 N HA 0.044 4.783 4.740 -0.001 0.000 0.192 193 N C 0.133 175.651 175.510 0.013 0.000 1.141 193 N CA 0.115 53.182 53.050 0.027 0.000 0.851 193 N CB 0.160 38.666 38.487 0.031 0.000 0.976 193 N HN 0.074 nan 8.380 nan 0.000 0.465 194 V N 1.772 121.702 119.914 0.028 0.000 2.488 194 V HA 0.031 4.151 4.120 -0.001 0.000 0.277 194 V C 1.518 177.666 176.094 0.090 0.000 1.046 194 V CA -0.468 61.851 62.300 0.032 0.000 0.986 194 V CB 1.029 32.864 31.823 0.019 0.000 0.989 194 V HN 0.407 nan 8.190 nan 0.000 0.475 195 C N 2.422 121.776 119.300 0.091 0.000 2.700 195 C HA 0.789 5.249 4.460 -0.001 0.000 0.297 195 C C 0.828 175.929 174.990 0.186 0.000 1.293 195 C CA 0.125 59.278 59.018 0.225 0.000 1.756 195 C CB -0.668 27.175 27.740 0.171 0.000 2.210 195 C HN 0.956 nan 8.230 nan 0.000 0.553 196 A N -0.224 122.666 122.820 0.116 0.000 2.604 196 A HA 0.673 4.993 4.320 -0.001 0.000 0.295 196 A C -1.782 175.938 177.584 0.228 0.000 1.067 196 A CA -0.156 51.953 52.037 0.121 0.000 0.683 196 A CB 0.793 19.835 19.000 0.070 0.000 1.281 196 A HN 0.485 nan 8.150 nan 0.000 0.407 197 F N 2.155 122.153 119.950 0.080 0.000 2.460 197 F HA 0.727 5.253 4.527 -0.001 0.000 0.341 197 F C -1.022 174.876 175.800 0.164 0.000 1.130 197 F CA -1.560 56.507 58.000 0.111 0.000 0.962 197 F CB 0.858 39.903 39.000 0.076 0.000 1.171 197 F HN 0.412 nan 8.300 nan 0.000 0.436 198 I N 7.414 127.895 120.570 -0.147 0.000 2.339 198 I HA 0.591 4.760 4.170 -0.001 0.000 0.290 198 I C -0.922 174.887 176.117 -0.514 0.000 0.994 198 I CA -1.028 60.125 61.300 -0.244 0.000 1.191 198 I CB 1.614 39.643 38.000 0.049 0.000 1.343 198 I HN 0.413 nan 8.210 nan 0.000 0.458 199 V N 6.158 125.767 119.914 -0.508 0.000 3.048 199 V HA 0.374 4.494 4.120 -0.001 0.000 0.303 199 V C -0.981 175.082 176.094 -0.051 0.000 1.214 199 V CA -0.380 61.728 62.300 -0.319 0.000 0.984 199 V CB 2.785 34.330 31.823 -0.465 0.000 1.054 199 V HN 0.742 nan 8.190 nan 0.000 0.430 200 E N 5.601 125.866 120.200 0.109 0.000 2.227 200 E HA 0.339 4.689 4.350 -0.001 0.000 0.282 200 E C -1.923 174.954 176.600 0.463 0.000 1.015 200 E CA -1.732 54.758 56.400 0.150 0.000 0.823 200 E CB 2.173 31.909 29.700 0.060 0.000 1.081 200 E HN 0.511 nan 8.360 nan 0.000 0.396 201 P HA -0.131 nan 4.420 nan 0.000 0.216 201 P C 0.162 177.741 177.300 0.464 0.000 1.150 201 P CA 0.872 64.084 63.100 0.187 0.000 0.837 201 P CB 0.246 31.937 31.700 -0.014 0.000 0.786 202 V N -1.859 118.243 119.914 0.314 0.000 2.760 202 V HA 0.334 4.454 4.120 -0.001 0.000 0.309 202 V C -1.133 175.015 176.094 0.090 0.000 1.077 202 V CA -0.998 61.466 62.300 0.273 0.000 0.910 202 V CB 2.009 33.964 31.823 0.221 0.000 1.008 202 V HN -0.189 nan 8.190 nan 0.000 0.424 203 Q N 3.668 123.405 119.800 -0.105 0.000 2.286 203 Q HA 0.305 4.645 4.340 -0.001 0.000 0.267 203 Q C 1.062 177.037 176.000 -0.042 0.000 1.028 203 Q CA 0.604 56.296 55.803 -0.185 0.000 0.901 203 Q CB 1.701 30.166 28.738 -0.456 0.000 1.183 203 Q HN 1.064 nan 8.270 nan 0.000 0.392 204 G N 2.308 111.114 108.800 0.010 0.000 2.508 204 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.212 204 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.212 204 G C 1.143 176.067 174.900 0.039 0.000 1.206 204 G CA 0.236 45.361 45.100 0.041 0.000 0.822 204 G HN 0.598 nan 8.290 nan 0.000 0.550 205 E N 1.067 121.288 120.200 0.034 0.000 2.204 205 E HA 0.039 4.388 4.350 -0.001 0.000 0.195 205 E C 2.368 179.012 176.600 0.074 0.000 0.990 205 E CA 1.209 57.614 56.400 0.010 0.000 0.821 205 E CB -0.395 29.314 29.700 0.014 0.000 0.750 205 E HN 0.299 nan 8.360 nan 0.000 0.477 206 A N -0.588 122.292 122.820 0.101 0.000 2.206 206 A HA 0.335 4.655 4.320 -0.001 0.000 0.211 206 A C 1.512 179.185 177.584 0.148 0.000 1.158 206 A CA 0.843 52.972 52.037 0.153 0.000 0.761 206 A CB -0.432 18.588 19.000 0.034 0.000 0.801 206 A HN 0.480 nan 8.150 nan 0.000 0.473 207 G N -1.618 107.243 108.800 0.101 0.000 2.237 207 G HA2 0.089 4.048 3.960 -0.001 0.000 0.153 207 G HA3 0.089 4.048 3.960 -0.001 0.000 0.153 207 G C 0.282 175.222 174.900 0.067 0.000 1.039 207 G CA -0.235 44.924 45.100 0.098 0.000 0.719 207 G HN 1.391 nan 8.290 nan 0.000 0.491 208 V N -0.481 119.463 119.914 0.051 0.000 6.177 208 V HA -0.228 3.891 4.120 -0.001 0.000 0.277 208 V C 0.582 176.703 176.094 0.046 0.000 0.580 208 V CA 0.933 63.264 62.300 0.051 0.000 0.697 208 V CB -1.486 30.376 31.823 0.064 0.000 0.575 208 V HN 0.734 nan 8.190 nan 0.000 0.569 209 I N 2.705 123.283 120.570 0.013 0.000 2.297 209 I HA 0.356 4.526 4.170 -0.001 0.000 0.291 209 I C 0.463 176.659 176.117 0.131 0.000 1.033 209 I CA -0.321 60.999 61.300 0.033 0.000 1.253 209 I CB 1.236 39.206 38.000 -0.049 0.000 1.396 209 I HN 0.218 nan 8.210 nan 0.000 0.476 210 V N 9.285 129.303 119.914 0.173 0.000 2.546 210 V HA 0.306 4.426 4.120 -0.001 0.000 0.284 210 V C -1.864 174.393 176.094 0.273 0.000 1.050 210 V CA -1.253 61.191 62.300 0.240 0.000 0.981 210 V CB 1.012 32.934 31.823 0.165 0.000 0.990 210 V HN 0.613 nan 8.190 nan 0.000 0.474 211 P HA 0.278 nan 4.420 nan 0.000 0.279 211 P C -0.341 176.980 177.300 0.035 0.000 1.252 211 P CA -0.491 62.670 63.100 0.102 0.000 0.811 211 P CB 0.602 32.386 31.700 0.141 0.000 1.035 212 S N 0.236 115.905 115.700 -0.052 0.000 2.568 212 S HA 0.010 4.480 4.470 -0.001 0.000 0.282 212 S C 0.766 175.366 174.600 0.000 0.000 1.338 212 S CA -0.233 57.958 58.200 -0.016 0.000 1.045 212 S CB 0.047 63.222 63.200 -0.041 0.000 0.873 212 S HN 0.364 nan 8.310 nan 0.000 0.516 213 D N 1.802 122.219 120.400 0.029 0.000 2.221 213 D HA -0.115 4.524 4.640 -0.001 0.000 0.204 213 D C 2.137 178.452 176.300 0.024 0.000 0.982 213 D CA 1.742 55.772 54.000 0.049 0.000 0.857 213 D CB -0.443 40.408 40.800 0.085 0.000 0.934 213 D HN 0.777 nan 8.370 nan 0.000 0.475 214 S N -0.534 115.175 115.700 0.015 0.000 2.436 214 S HA -0.167 4.302 4.470 -0.001 0.000 0.228 214 S C 2.047 176.637 174.600 -0.017 0.000 1.014 214 S CA 0.124 58.327 58.200 0.005 0.000 0.950 214 S CB -0.534 62.666 63.200 0.002 0.000 0.784 214 S HN 0.229 nan 8.310 nan 0.000 0.504 215 Y N 2.007 122.187 120.300 -0.199 0.000 2.030 215 Y HA -0.147 4.402 4.550 -0.001 0.000 0.274 215 Y C 1.838 177.518 175.900 -0.366 0.000 1.153 215 Y CA 1.376 59.278 58.100 -0.330 0.000 1.115 215 Y CB -1.002 37.177 38.460 -0.468 0.000 0.969 215 Y HN 0.279 nan 8.280 nan 0.000 0.488 216 F N -0.250 119.461 119.950 -0.399 0.000 2.146 216 F HA -0.087 4.439 4.527 -0.001 0.000 0.298 216 F C -0.459 175.181 175.800 -0.266 0.000 1.096 216 F CA 1.494 59.252 58.000 -0.403 0.000 1.275 216 F CB -1.809 37.073 39.000 -0.195 0.000 1.008 216 F HN 0.140 nan 8.300 nan 0.000 0.480 217 P HA -0.159 nan 4.420 nan 0.000 0.216 217 P C 1.730 178.969 177.300 -0.101 0.000 1.150 217 P CA 2.051 65.151 63.100 -0.000 0.000 0.843 217 P CB -0.350 31.365 31.700 0.026 0.000 0.787 218 G N -0.983 107.711 108.800 -0.177 0.000 2.464 218 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.217 218 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.217 218 G C 1.580 176.285 174.900 -0.324 0.000 1.138 218 G CA 0.242 45.216 45.100 -0.210 0.000 0.793 218 G HN 0.155 nan 8.290 nan 0.000 0.539 219 V N 1.508 121.104 119.914 -0.529 0.000 2.307 219 V HA -0.103 4.016 4.120 -0.001 0.000 0.245 219 V C 3.305 179.071 176.094 -0.547 0.000 1.045 219 V CA 1.927 63.841 62.300 -0.644 0.000 1.024 219 V CB -0.696 30.564 31.823 -0.939 0.000 0.651 219 V HN 0.432 nan 8.190 nan 0.000 0.449 220 A N -0.804 121.711 122.820 -0.509 0.000 1.940 220 A HA -0.227 4.092 4.320 -0.001 0.000 0.219 220 A C 2.484 179.997 177.584 -0.118 0.000 1.176 220 A CA 2.421 54.283 52.037 -0.292 0.000 0.631 220 A CB -0.578 18.389 19.000 -0.055 0.000 0.814 220 A HN 0.500 nan 8.150 nan 0.000 0.446 221 S N -0.457 115.173 115.700 -0.116 0.000 2.336 221 S HA 0.014 4.484 4.470 -0.001 0.000 0.216 221 S C 1.828 176.414 174.600 -0.023 0.000 1.032 221 S CA 1.112 59.280 58.200 -0.052 0.000 0.973 221 S CB -0.430 62.740 63.200 -0.051 0.000 0.888 221 S HN 0.516 nan 8.310 nan 0.000 0.455 222 L N 0.789 121.982 121.223 -0.050 0.000 2.081 222 L HA -0.222 4.118 4.340 -0.001 0.000 0.212 222 L C 2.510 179.447 176.870 0.111 0.000 1.080 222 L CA 0.912 55.779 54.840 0.045 0.000 0.754 222 L CB -0.756 41.247 42.059 -0.094 0.000 0.893 222 L HN 0.452 nan 8.230 nan 0.000 0.433 223 C N -0.441 118.862 119.300 0.004 0.000 2.476 223 C HA -0.138 4.321 4.460 -0.001 0.000 0.278 223 C C 2.908 177.964 174.990 0.110 0.000 1.274 223 C CA 0.747 59.805 59.018 0.067 0.000 1.713 223 C CB -0.521 27.255 27.740 0.059 0.000 2.039 223 C HN 0.480 nan 8.230 nan 0.000 0.484 224 K N 1.474 121.920 120.400 0.076 0.000 2.147 224 K HA -0.220 4.100 4.320 -0.001 0.000 0.205 224 K C 2.123 178.758 176.600 0.058 0.000 1.049 224 K CA 1.603 57.935 56.287 0.075 0.000 0.936 224 K CB -0.241 32.292 32.500 0.055 0.000 0.722 224 K HN 0.492 nan 8.250 nan 0.000 0.446 225 K N -0.250 120.175 120.400 0.042 0.000 2.001 225 K HA -0.156 4.163 4.320 -0.001 0.000 0.208 225 K C 1.193 177.729 176.600 -0.108 0.000 1.048 225 K CA 1.405 57.661 56.287 -0.052 0.000 0.932 225 K CB -0.148 32.295 32.500 -0.094 0.000 0.715 225 K HN 0.207 nan 8.250 nan 0.000 0.437 226 Y N 1.156 121.463 120.300 0.012 0.000 2.462 226 Y HA 0.073 4.622 4.550 -0.001 0.000 0.293 226 Y C 0.024 175.965 175.900 0.070 0.000 1.195 226 Y CA 0.102 58.218 58.100 0.026 0.000 1.276 226 Y CB -0.189 38.274 38.460 0.005 0.000 1.082 226 Y HN 0.299 nan 8.280 nan 0.000 0.514 227 N N 0.583 119.396 118.700 0.189 0.000 2.671 227 N HA -0.178 4.561 4.740 -0.001 0.000 0.261 227 N C -1.837 173.860 175.510 0.312 0.000 1.053 227 N CA 0.402 53.590 53.050 0.231 0.000 0.732 227 N CB -1.172 37.441 38.487 0.210 0.000 0.887 227 N HN 0.054 nan 8.380 nan 0.000 0.546 228 V N 2.442 122.491 119.914 0.224 0.000 2.709 228 V HA 0.408 4.527 4.120 -0.001 0.000 0.308 228 V C 0.606 176.723 176.094 0.037 0.000 1.062 228 V CA -0.958 61.446 62.300 0.174 0.000 0.901 228 V CB 1.978 33.897 31.823 0.160 0.000 1.003 228 V HN 0.260 nan 8.190 nan 0.000 0.425 229 L N 4.832 125.961 121.223 -0.156 0.000 2.534 229 L HA 0.155 4.495 4.340 -0.001 0.000 0.271 229 L C -0.287 176.632 176.870 0.081 0.000 1.178 229 L CA 0.197 54.905 54.840 -0.219 0.000 0.907 229 L CB -0.022 41.777 42.059 -0.433 0.000 1.164 229 L HN 0.603 nan 8.230 nan 0.000 0.482 230 F N 5.941 125.865 119.950 -0.043 0.000 2.377 230 F HA 0.369 4.896 4.527 -0.001 0.000 0.360 230 F C -0.328 175.459 175.800 -0.023 0.000 1.147 230 F CA -1.069 56.951 58.000 0.034 0.000 1.170 230 F CB 0.438 39.482 39.000 0.073 0.000 1.339 230 F HN 0.007 nan 8.300 nan 0.000 0.552 231 V N 6.450 126.356 119.914 -0.014 0.000 2.350 231 V HA 0.622 4.742 4.120 -0.001 0.000 0.276 231 V C 0.337 176.259 176.094 -0.286 0.000 1.028 231 V CA -0.695 61.468 62.300 -0.229 0.000 0.860 231 V CB 0.672 32.416 31.823 -0.132 0.000 0.990 231 V HN 0.915 nan 8.190 nan 0.000 0.453 232 A N 3.444 126.016 122.820 -0.415 0.000 2.252 232 A HA 0.487 4.807 4.320 -0.001 0.000 0.309 232 A C -0.085 177.340 177.584 -0.265 0.000 1.285 232 A CA -0.433 51.429 52.037 -0.292 0.000 0.900 232 A CB 0.371 19.167 19.000 -0.340 0.000 1.157 232 A HN 0.781 nan 8.150 nan 0.000 0.536 233 D N 2.633 122.878 120.400 -0.258 0.000 2.374 233 D HA 0.118 4.758 4.640 -0.001 0.000 0.240 233 D C 0.221 176.421 176.300 -0.167 0.000 1.229 233 D CA 0.206 54.047 54.000 -0.265 0.000 0.895 233 D CB 0.564 41.099 40.800 -0.442 0.000 1.046 233 D HN 0.539 nan 8.370 nan 0.000 0.498 234 E N 2.938 123.042 120.200 -0.160 0.000 2.569 234 E HA 0.052 4.401 4.350 -0.001 0.000 0.205 234 E C 1.582 178.125 176.600 -0.094 0.000 1.006 234 E CA -0.066 56.262 56.400 -0.119 0.000 0.985 234 E CB 0.970 30.581 29.700 -0.147 0.000 1.060 234 E HN 0.337 nan 8.360 nan 0.000 0.460 235 V N 1.146 121.010 119.914 -0.083 0.000 2.392 235 V HA -0.267 3.852 4.120 -0.001 0.000 0.249 235 V C 2.216 178.298 176.094 -0.021 0.000 1.059 235 V CA 1.718 63.986 62.300 -0.053 0.000 1.051 235 V CB -0.194 31.610 31.823 -0.033 0.000 0.658 235 V HN 0.297 nan 8.190 nan 0.000 0.455 236 Q N -0.367 119.430 119.800 -0.005 0.000 2.390 236 Q HA -0.017 4.322 4.340 -0.001 0.000 0.216 236 Q C 2.403 178.411 176.000 0.013 0.000 0.916 236 Q CA 1.543 57.358 55.803 0.019 0.000 0.911 236 Q CB -0.337 28.427 28.738 0.043 0.000 1.035 236 Q HN 0.791 nan 8.270 nan 0.000 0.541 237 T N -1.665 112.892 114.554 0.005 0.000 3.067 237 T HA 0.140 4.490 4.350 -0.001 0.000 0.261 237 T C 1.073 175.771 174.700 -0.004 0.000 1.110 237 T CA 0.489 62.597 62.100 0.013 0.000 1.113 237 T CB -0.049 68.833 68.868 0.023 0.000 0.917 237 T HN 0.153 nan 8.240 nan 0.000 0.499 238 G N 0.861 109.649 108.800 -0.021 0.000 2.525 238 G HA2 0.511 4.471 3.960 -0.001 0.000 0.287 238 G HA3 0.511 4.471 3.960 -0.001 0.000 0.287 238 G C -0.073 174.829 174.900 0.003 0.000 1.350 238 G CA -1.012 44.077 45.100 -0.017 0.000 1.039 238 G HN 0.633 nan 8.290 nan 0.000 0.513 239 L N -0.597 120.650 121.223 0.039 0.000 3.634 239 L HA -0.265 4.074 4.340 -0.001 0.000 0.423 239 L C 1.672 178.541 176.870 -0.002 0.000 1.253 239 L CA 0.559 55.425 54.840 0.043 0.000 0.885 239 L CB -1.799 40.287 42.059 0.045 0.000 1.789 239 L HN 1.768 nan 8.230 nan 0.000 0.904 240 G N -0.810 107.979 108.800 -0.018 0.000 2.258 240 G HA2 -0.398 3.562 3.960 -0.001 0.000 0.233 240 G HA3 -0.398 3.562 3.960 -0.001 0.000 0.233 240 G C 0.805 175.694 174.900 -0.019 0.000 1.006 240 G CA 0.702 45.784 45.100 -0.029 0.000 0.620 240 G HN 0.429 nan 8.290 nan 0.000 0.511 241 R N 1.580 122.070 120.500 -0.016 0.000 2.119 241 R HA -0.106 4.234 4.340 -0.001 0.000 0.246 241 R C 2.555 178.863 176.300 0.013 0.000 1.146 241 R CA 3.202 59.293 56.100 -0.015 0.000 0.962 241 R CB -1.037 29.257 30.300 -0.009 0.000 0.863 241 R HN 0.882 nan 8.270 nan 0.000 0.442 242 T N -4.302 110.283 114.554 0.052 0.000 3.145 242 T HA 0.405 4.755 4.350 -0.001 0.000 0.255 242 T C 1.093 175.924 174.700 0.219 0.000 1.039 242 T CA 0.271 62.446 62.100 0.126 0.000 0.928 242 T CB 0.573 69.550 68.868 0.182 0.000 1.029 242 T HN 0.444 nan 8.240 nan 0.000 0.554 243 G N 1.006 109.869 108.800 0.104 0.000 2.259 243 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.217 243 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.217 243 G C -0.079 174.814 174.900 -0.011 0.000 1.001 243 G CA -0.265 44.890 45.100 0.091 0.000 0.627 243 G HN 0.591 nan 8.290 nan 0.000 0.501 244 K N -0.273 120.065 120.400 -0.104 0.000 2.352 244 K HA 0.701 5.021 4.320 -0.001 0.000 0.240 244 K C 1.270 177.780 176.600 -0.150 0.000 1.017 244 K CA -0.922 55.237 56.287 -0.213 0.000 0.851 244 K CB 1.314 33.566 32.500 -0.413 0.000 1.261 244 K HN 0.036 nan 8.250 nan 0.000 0.451 245 L N 0.351 121.472 121.223 -0.171 0.000 2.131 245 L HA -0.007 4.333 4.340 -0.001 0.000 0.210 245 L C 0.322 177.223 176.870 0.051 0.000 1.092 245 L CA 1.271 56.071 54.840 -0.067 0.000 0.759 245 L CB 0.047 42.001 42.059 -0.176 0.000 0.903 245 L HN 0.240 nan 8.230 nan 0.000 0.435 246 L N -2.017 119.188 121.223 -0.031 0.000 2.406 246 L HA 0.156 4.495 4.340 -0.001 0.000 0.272 246 L C 0.834 177.622 176.870 -0.136 0.000 0.980 246 L CA -0.590 54.237 54.840 -0.021 0.000 0.831 246 L CB 2.273 44.361 42.059 0.049 0.000 1.253 246 L HN -0.043 nan 8.230 nan 0.000 0.406 247 C N 1.028 120.246 119.300 -0.138 0.000 2.411 247 C HA -0.178 4.281 4.460 -0.001 0.000 0.279 247 C C 2.636 177.402 174.990 -0.373 0.000 1.288 247 C CA 1.884 60.789 59.018 -0.189 0.000 1.764 247 C CB -0.670 27.038 27.740 -0.053 0.000 1.974 247 C HN 0.998 nan 8.230 nan 0.000 0.498 248 T N -2.811 111.578 114.554 -0.275 0.000 2.897 248 T HA -0.261 4.088 4.350 -0.001 0.000 0.271 248 T C 1.475 176.053 174.700 -0.202 0.000 1.084 248 T CA 1.966 63.913 62.100 -0.255 0.000 1.123 248 T CB -0.949 67.879 68.868 -0.067 0.000 0.865 248 T HN 0.818 nan 8.240 nan 0.000 0.496 249 H N 0.573 119.476 119.070 -0.278 0.000 2.543 249 H HA -0.046 4.510 4.556 -0.001 0.000 0.286 249 H C 2.073 177.237 175.328 -0.272 0.000 1.037 249 H CA 1.153 57.064 56.048 -0.229 0.000 1.250 249 H CB -0.230 29.390 29.762 -0.235 0.000 1.373 249 H HN 0.454 nan 8.280 nan 0.000 0.580 250 H N -1.093 117.779 119.070 -0.330 0.000 2.436 250 H HA -0.081 4.474 4.556 -0.001 0.000 0.294 250 H C 0.844 176.041 175.328 -0.220 0.000 1.048 250 H CA 1.354 57.191 56.048 -0.352 0.000 1.353 250 H CB -0.061 29.366 29.762 -0.559 0.000 1.414 250 H HN 0.625 nan 8.280 nan 0.000 0.536 251 Y N -0.668 119.693 120.300 0.102 0.000 2.457 251 Y HA 0.234 4.784 4.550 -0.001 0.000 0.263 251 Y C 1.702 177.625 175.900 0.038 0.000 1.164 251 Y CA -0.050 58.106 58.100 0.093 0.000 1.274 251 Y CB 0.567 39.113 38.460 0.144 0.000 1.097 251 Y HN 0.146 nan 8.280 nan 0.000 0.523 252 G N 1.691 110.506 108.800 0.026 0.000 2.258 252 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.274 252 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.274 252 G C 0.010 174.938 174.900 0.046 0.000 1.021 252 G CA 0.477 45.548 45.100 -0.047 0.000 0.798 252 G HN 0.381 nan 8.290 nan 0.000 0.507 253 V N -3.666 116.327 119.914 0.131 0.000 2.881 253 V HA 0.906 5.025 4.120 -0.001 0.000 0.316 253 V C 0.054 176.261 176.094 0.188 0.000 1.070 253 V CA -1.333 61.090 62.300 0.205 0.000 0.976 253 V CB 2.126 34.166 31.823 0.361 0.000 1.038 253 V HN 0.372 nan 8.190 nan 0.000 0.446 254 K N 3.300 123.815 120.400 0.191 0.000 2.483 254 K HA 0.627 4.946 4.320 -0.001 0.000 0.256 254 K C -2.785 173.894 176.600 0.132 0.000 0.961 254 K CA -1.771 54.595 56.287 0.132 0.000 0.873 254 K CB 1.655 34.184 32.500 0.048 0.000 1.107 254 K HN 0.650 nan 8.250 nan 0.000 0.432 255 P HA 0.070 nan 4.420 nan 0.000 0.272 255 P C -0.238 177.006 177.300 -0.094 0.000 1.223 255 P CA -0.332 62.469 63.100 -0.499 0.000 0.784 255 P CB 0.726 31.858 31.700 -0.946 0.000 0.923 256 D N -0.282 120.053 120.400 -0.108 0.000 2.178 256 D HA -0.023 4.617 4.640 -0.001 0.000 0.202 256 D C 0.322 176.593 176.300 -0.049 0.000 0.974 256 D CA 1.430 55.425 54.000 -0.008 0.000 0.841 256 D CB 0.212 40.960 40.800 -0.088 0.000 0.953 256 D HN 0.082 nan 8.370 nan 0.000 0.478 257 V N 1.878 121.654 119.914 -0.231 0.000 2.709 257 V HA 0.288 4.408 4.120 -0.001 0.000 0.308 257 V C -0.391 175.451 176.094 -0.420 0.000 1.062 257 V CA -0.779 61.328 62.300 -0.320 0.000 0.901 257 V CB 3.020 34.693 31.823 -0.251 0.000 1.003 257 V HN -0.077 nan 8.190 nan 0.000 0.425 258 I N 5.087 125.335 120.570 -0.537 0.000 2.433 258 I HA 0.490 4.660 4.170 -0.001 0.000 0.292 258 I C -0.415 175.462 176.117 -0.400 0.000 1.001 258 I CA -0.471 60.537 61.300 -0.487 0.000 1.119 258 I CB 1.948 39.585 38.000 -0.605 0.000 1.289 258 I HN 0.392 nan 8.210 nan 0.000 0.438 259 L N 6.538 127.573 121.223 -0.313 0.000 2.295 259 L HA 0.602 4.942 4.340 -0.001 0.000 0.285 259 L C -0.434 176.291 176.870 -0.241 0.000 1.035 259 L CA -0.561 54.129 54.840 -0.250 0.000 0.806 259 L CB 1.554 43.499 42.059 -0.189 0.000 1.214 259 L HN 0.350 nan 8.230 nan 0.000 0.426 260 L N 1.996 123.082 121.223 -0.228 0.000 2.354 260 L HA 0.924 5.264 4.340 -0.001 0.000 0.264 260 L C 0.287 177.086 176.870 -0.119 0.000 1.008 260 L CA -0.414 54.307 54.840 -0.198 0.000 0.819 260 L CB 2.265 44.156 42.059 -0.280 0.000 1.339 260 L HN 0.791 nan 8.230 nan 0.000 0.420 261 G N -0.562 108.192 108.800 -0.077 0.000 2.588 261 G HA2 0.349 4.309 3.960 -0.001 0.000 0.281 261 G HA3 0.349 4.309 3.960 -0.001 0.000 0.281 261 G C -0.688 174.203 174.900 -0.014 0.000 1.223 261 G CA -0.224 44.853 45.100 -0.038 0.000 0.871 261 G HN 0.394 nan 8.290 nan 0.000 0.492 262 K N -0.988 119.413 120.400 0.001 0.000 7.614 262 K HA -0.349 3.970 4.320 -0.001 0.000 0.367 262 K C 2.244 178.853 176.600 0.014 0.000 0.578 262 K CA 2.873 59.168 56.287 0.013 0.000 1.269 262 K CB -2.014 30.497 32.500 0.019 0.000 0.795 262 K HN 1.509 nan 8.250 nan 0.000 0.991 263 A N 1.527 124.350 122.820 0.005 0.000 2.121 263 A HA 0.028 4.347 4.320 -0.001 0.000 0.218 263 A C 2.397 179.990 177.584 0.015 0.000 1.154 263 A CA 1.605 53.644 52.037 0.003 0.000 0.679 263 A CB -0.477 18.518 19.000 -0.008 0.000 0.795 263 A HN 0.385 nan 8.150 nan 0.000 0.458 264 L N 0.119 121.354 121.223 0.019 0.000 2.283 264 L HA -0.251 4.088 4.340 -0.001 0.000 0.217 264 L C 2.379 179.266 176.870 0.027 0.000 1.104 264 L CA 1.757 56.614 54.840 0.028 0.000 0.772 264 L CB -0.233 41.837 42.059 0.019 0.000 0.899 264 L HN 0.670 nan 8.230 nan 0.000 0.439 265 S N -2.217 113.510 115.700 0.045 0.000 2.666 265 S HA 0.212 4.682 4.470 -0.001 0.000 0.239 265 S C 1.300 175.962 174.600 0.104 0.000 1.031 265 S CA 0.234 58.479 58.200 0.074 0.000 1.015 265 S CB 0.845 64.130 63.200 0.141 0.000 0.981 265 S HN 0.417 nan 8.310 nan 0.000 0.547 266 G N 1.397 110.237 108.800 0.067 0.000 2.379 266 G HA2 0.027 3.986 3.960 -0.001 0.000 0.297 266 G HA3 0.027 3.986 3.960 -0.001 0.000 0.297 266 G C 1.215 176.232 174.900 0.195 0.000 1.004 266 G CA 0.462 45.622 45.100 0.100 0.000 0.921 266 G HN 1.898 nan 8.290 nan 0.000 0.511 267 G N -1.942 106.924 108.800 0.110 0.000 2.184 267 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.264 267 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.264 267 G C 0.624 175.537 174.900 0.022 0.000 0.975 267 G CA 1.308 46.428 45.100 0.035 0.000 0.642 267 G HN 1.040 nan 8.290 nan 0.000 0.536 268 H N -1.799 117.308 119.070 0.062 0.000 2.548 268 H HA 0.493 5.048 4.556 -0.001 0.000 0.265 268 H C 0.243 175.676 175.328 0.175 0.000 0.969 268 H CA 1.312 57.419 56.048 0.099 0.000 1.155 268 H CB 0.217 30.037 29.762 0.097 0.000 1.394 268 H HN 0.600 nan 8.280 nan 0.000 0.570 269 Y N -1.015 119.336 120.300 0.084 0.000 2.522 269 Y HA 0.247 4.796 4.550 -0.001 0.000 0.326 269 Y C -2.903 173.006 175.900 0.016 0.000 1.198 269 Y CA -2.613 55.513 58.100 0.042 0.000 1.112 269 Y CB 1.620 40.114 38.460 0.057 0.000 1.342 269 Y HN -0.163 nan 8.280 nan 0.000 0.460 270 P HA 0.411 nan 4.420 nan 0.000 0.275 270 P C -1.089 176.312 177.300 0.168 0.000 1.276 270 P CA 0.672 63.774 63.100 0.004 0.000 0.782 270 P CB 0.157 31.778 31.700 -0.131 0.000 0.851 271 I N 1.928 122.576 120.570 0.130 0.000 2.686 271 I HA 0.523 4.693 4.170 -0.001 0.000 0.295 271 I C 0.059 176.200 176.117 0.039 0.000 1.114 271 I CA -0.603 60.763 61.300 0.110 0.000 1.038 271 I CB 2.492 40.555 38.000 0.106 0.000 1.238 271 I HN 0.279 nan 8.210 nan 0.000 0.420 272 S N 3.625 119.334 115.700 0.014 0.000 2.671 272 S HA 0.995 5.464 4.470 -0.001 0.000 0.277 272 S C -1.067 173.504 174.600 -0.048 0.000 1.165 272 S CA -0.716 57.468 58.200 -0.027 0.000 0.822 272 S CB 2.592 65.770 63.200 -0.036 0.000 1.150 272 S HN 1.049 nan 8.310 nan 0.000 0.479 273 A N 0.396 123.161 122.820 -0.092 0.000 2.604 273 A HA 0.769 5.088 4.320 -0.001 0.000 0.295 273 A C -1.560 175.924 177.584 -0.167 0.000 1.067 273 A CA -0.761 51.206 52.037 -0.116 0.000 0.683 273 A CB 0.943 19.869 19.000 -0.122 0.000 1.281 273 A HN 0.862 nan 8.150 nan 0.000 0.407 274 I N 1.416 121.888 120.570 -0.164 0.000 2.433 274 I HA 0.454 4.623 4.170 -0.001 0.000 0.292 274 I C -0.958 175.018 176.117 -0.235 0.000 1.001 274 I CA -0.518 60.658 61.300 -0.207 0.000 1.119 274 I CB 1.753 39.656 38.000 -0.161 0.000 1.289 274 I HN 0.516 nan 8.210 nan 0.000 0.438 275 L N 6.103 127.109 121.223 -0.363 0.000 2.329 275 L HA 0.919 5.259 4.340 -0.001 0.000 0.279 275 L C -0.255 176.323 176.870 -0.486 0.000 1.014 275 L CA -0.281 54.300 54.840 -0.431 0.000 0.814 275 L CB 1.849 43.495 42.059 -0.687 0.000 1.257 275 L HN 0.751 nan 8.230 nan 0.000 0.424 276 A N 2.306 124.998 122.820 -0.212 0.000 2.586 276 A HA 0.591 4.911 4.320 -0.001 0.000 0.291 276 A C -1.481 176.189 177.584 0.143 0.000 1.062 276 A CA -0.820 51.195 52.037 -0.037 0.000 0.666 276 A CB 1.325 20.275 19.000 -0.084 0.000 1.281 276 A HN 0.564 nan 8.150 nan 0.000 0.421 277 N N 0.256 119.061 118.700 0.174 0.000 2.408 277 N HA 0.192 4.932 4.740 -0.001 0.000 0.260 277 N C 0.087 175.649 175.510 0.087 0.000 1.242 277 N CA -0.380 52.746 53.050 0.126 0.000 0.959 277 N CB 0.644 39.187 38.487 0.093 0.000 1.201 277 N HN 0.635 nan 8.380 nan 0.000 0.511 278 D N 0.320 120.766 120.400 0.078 0.000 2.158 278 D HA -0.176 4.464 4.640 -0.001 0.000 0.197 278 D C 1.168 177.527 176.300 0.099 0.000 0.995 278 D CA 1.202 55.249 54.000 0.078 0.000 0.846 278 D CB -0.162 40.677 40.800 0.066 0.000 0.941 278 D HN 0.623 nan 8.370 nan 0.000 0.456 279 D N 0.622 121.090 120.400 0.113 0.000 2.218 279 D HA -0.130 4.509 4.640 -0.001 0.000 0.204 279 D C 2.079 178.528 176.300 0.248 0.000 0.976 279 D CA 1.348 55.449 54.000 0.169 0.000 0.853 279 D CB -0.449 40.461 40.800 0.183 0.000 0.939 279 D HN 0.358 nan 8.370 nan 0.000 0.481 280 V N -2.203 117.808 119.914 0.161 0.000 2.581 280 V HA 0.068 4.187 4.120 -0.001 0.000 0.240 280 V C 2.634 178.806 176.094 0.130 0.000 1.054 280 V CA 0.693 63.080 62.300 0.145 0.000 1.076 280 V CB -0.674 31.086 31.823 -0.106 0.000 0.748 280 V HN -0.027 nan 8.190 nan 0.000 0.474 281 M N 0.705 120.352 119.600 0.078 0.000 2.159 281 M HA 0.052 4.532 4.480 -0.001 0.000 0.263 281 M C 1.840 178.187 176.300 0.078 0.000 1.063 281 M CA 1.932 57.267 55.300 0.059 0.000 1.110 281 M CB -0.759 31.865 32.600 0.039 0.000 1.374 281 M HN 0.347 nan 8.290 nan 0.000 0.411 282 L N -1.271 120.007 121.223 0.092 0.000 2.551 282 L HA -0.088 4.252 4.340 -0.001 0.000 0.228 282 L C 2.020 178.948 176.870 0.096 0.000 1.153 282 L CA -0.138 54.754 54.840 0.086 0.000 0.851 282 L CB -0.532 41.576 42.059 0.081 0.000 0.959 282 L HN 0.108 nan 8.230 nan 0.000 0.451 283 V N 0.310 120.299 119.914 0.125 0.000 2.469 283 V HA -0.207 3.912 4.120 -0.001 0.000 0.251 283 V C 1.324 177.485 176.094 0.112 0.000 1.064 283 V CA 1.011 63.391 62.300 0.133 0.000 1.066 283 V CB -0.237 31.706 31.823 0.199 0.000 0.667 283 V HN 0.251 nan 8.190 nan 0.000 0.461 284 L N 1.825 123.107 121.223 0.099 0.000 2.361 284 L HA 0.235 4.574 4.340 -0.001 0.000 0.278 284 L C 0.231 177.154 176.870 0.088 0.000 1.113 284 L CA 0.060 54.953 54.840 0.088 0.000 0.849 284 L CB 0.389 42.482 42.059 0.057 0.000 1.155 284 L HN 0.108 nan 8.230 nan 0.000 0.452 285 K N 3.856 124.317 120.400 0.102 0.000 2.118 285 K HA 0.444 4.764 4.320 -0.001 0.000 0.254 285 K C -2.224 174.447 176.600 0.119 0.000 0.961 285 K CA -2.024 54.319 56.287 0.093 0.000 0.876 285 K CB 0.817 33.361 32.500 0.074 0.000 1.077 285 K HN 0.219 nan 8.250 nan 0.000 0.440 286 P HA 0.091 nan 4.420 nan 0.000 0.263 286 P C -0.162 177.169 177.300 0.052 0.000 1.247 286 P CA 0.135 63.289 63.100 0.090 0.000 0.876 286 P CB 0.165 31.897 31.700 0.053 0.000 0.928 287 G N 1.781 110.619 108.800 0.063 0.000 2.820 287 G HA2 0.453 4.413 3.960 -0.001 0.000 0.291 287 G HA3 0.453 4.413 3.960 -0.001 0.000 0.291 287 G C -1.053 173.578 174.900 -0.449 0.000 1.323 287 G CA -0.496 44.446 45.100 -0.263 0.000 1.055 287 G HN 0.328 nan 8.290 nan 0.000 0.520 288 E N -0.371 119.534 120.200 -0.492 0.000 2.081 288 E HA 0.455 4.805 4.350 -0.001 0.000 0.281 288 E C -0.925 175.397 176.600 -0.463 0.000 0.986 288 E CA -0.303 55.890 56.400 -0.345 0.000 0.796 288 E CB 0.116 29.704 29.700 -0.186 0.000 1.085 288 E HN 0.509 nan 8.360 nan 0.000 0.398 289 H N 1.646 120.696 119.070 -0.033 0.000 2.622 289 H HA 0.505 5.061 4.556 -0.001 0.000 0.363 289 H C 0.471 175.781 175.328 -0.030 0.000 1.151 289 H CA -0.739 55.294 56.048 -0.024 0.000 1.184 289 H CB 1.891 31.640 29.762 -0.022 0.000 1.643 289 H HN 0.683 nan 8.280 nan 0.000 0.531 290 G N 0.998 109.864 108.800 0.109 0.000 2.583 290 G HA2 0.055 4.015 3.960 -0.001 0.000 0.230 290 G HA3 0.055 4.015 3.960 -0.001 0.000 0.230 290 G C 0.055 174.976 174.900 0.035 0.000 1.249 290 G CA -0.226 44.905 45.100 0.052 0.000 0.857 290 G HN 0.703 nan 8.290 nan 0.000 0.569 291 S N 0.190 115.896 115.700 0.009 0.000 2.558 291 S HA 0.466 4.935 4.470 -0.001 0.000 0.288 291 S C 0.204 174.810 174.600 0.010 0.000 1.318 291 S CA 0.006 58.198 58.200 -0.014 0.000 1.056 291 S CB 0.961 64.146 63.200 -0.024 0.000 0.853 291 S HN 0.882 nan 8.310 nan 0.000 0.505 292 T N 1.149 115.691 114.554 -0.020 0.000 2.894 292 T HA 0.395 4.745 4.350 -0.001 0.000 0.309 292 T C -0.502 174.187 174.700 -0.018 0.000 1.208 292 T CA -0.597 61.522 62.100 0.031 0.000 1.016 292 T CB 0.857 69.743 68.868 0.028 0.000 1.192 292 T HN 0.536 nan 8.240 nan 0.000 0.491 293 Y N 1.116 121.439 120.300 0.037 0.000 2.523 293 Y HA 0.315 4.865 4.550 -0.001 0.000 0.279 293 Y C 2.009 177.954 175.900 0.075 0.000 1.139 293 Y CA 0.032 58.178 58.100 0.076 0.000 1.296 293 Y CB 0.010 38.536 38.460 0.109 0.000 1.045 293 Y HN 0.882 nan 8.280 nan 0.000 0.538 294 G N -0.099 108.797 108.800 0.160 0.000 2.299 294 G HA2 0.335 4.294 3.960 -0.001 0.000 0.256 294 G HA3 0.335 4.294 3.960 -0.001 0.000 0.256 294 G C 1.060 175.989 174.900 0.048 0.000 1.259 294 G CA 0.362 45.519 45.100 0.095 0.000 0.943 294 G HN 0.603 nan 8.290 nan 0.000 0.479 295 G N 1.809 110.636 108.800 0.046 0.000 2.143 295 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.248 295 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.248 295 G C 0.454 175.360 174.900 0.010 0.000 0.991 295 G CA 0.357 45.468 45.100 0.017 0.000 0.689 295 G HN 1.442 nan 8.290 nan 0.000 0.522 296 N N 0.123 118.838 118.700 0.025 0.000 2.453 296 N HA 0.474 5.213 4.740 -0.001 0.000 0.253 296 N C -0.814 174.675 175.510 -0.035 0.000 1.252 296 N CA -0.885 52.168 53.050 0.005 0.000 0.917 296 N CB 0.863 39.382 38.487 0.053 0.000 1.117 296 N HN 0.065 nan 8.380 nan 0.000 0.442 297 P HA -0.163 nan 4.420 nan 0.000 0.216 297 P C 1.388 178.634 177.300 -0.090 0.000 1.150 297 P CA 0.611 63.689 63.100 -0.036 0.000 0.837 297 P CB 0.079 31.773 31.700 -0.009 0.000 0.786 298 L N 0.001 121.148 121.223 -0.127 0.000 2.017 298 L HA -0.059 4.280 4.340 -0.001 0.000 0.208 298 L C 2.368 179.002 176.870 -0.393 0.000 1.073 298 L CA 2.091 56.801 54.840 -0.217 0.000 0.745 298 L CB -1.673 40.274 42.059 -0.187 0.000 0.894 298 L HN -0.100 nan 8.230 nan 0.000 0.432 299 A N -0.420 122.050 122.820 -0.584 0.000 1.908 299 A HA -0.188 4.132 4.320 -0.001 0.000 0.218 299 A C 2.467 179.919 177.584 -0.220 0.000 1.181 299 A CA 2.154 53.878 52.037 -0.522 0.000 0.627 299 A CB -1.285 17.510 19.000 -0.341 0.000 0.818 299 A HN 0.592 nan 8.150 nan 0.000 0.445 300 A N -0.262 122.471 122.820 -0.146 0.000 1.908 300 A HA 0.089 4.409 4.320 -0.001 0.000 0.218 300 A C 2.513 180.037 177.584 -0.101 0.000 1.181 300 A CA 2.401 54.388 52.037 -0.084 0.000 0.627 300 A CB -1.023 17.950 19.000 -0.046 0.000 0.818 300 A HN 1.117 nan 8.150 nan 0.000 0.445 301 A N -0.350 122.399 122.820 -0.118 0.000 1.897 301 A HA 0.000 4.320 4.320 -0.001 0.000 0.215 301 A C 2.125 179.624 177.584 -0.141 0.000 1.181 301 A CA 1.380 53.344 52.037 -0.120 0.000 0.620 301 A CB -0.556 18.384 19.000 -0.100 0.000 0.821 301 A HN 0.481 nan 8.150 nan 0.000 0.443 302 I N -0.737 119.744 120.570 -0.149 0.000 2.226 302 I HA -0.308 3.862 4.170 -0.001 0.000 0.245 302 I C 2.723 178.765 176.117 -0.125 0.000 1.100 302 I CA 1.290 62.507 61.300 -0.138 0.000 1.374 302 I CB -0.398 37.532 38.000 -0.116 0.000 1.057 302 I HN 0.581 nan 8.210 nan 0.000 0.413 303 C N 0.460 119.696 119.300 -0.107 0.000 2.432 303 C HA -0.133 4.327 4.460 -0.001 0.000 0.277 303 C C 2.898 177.810 174.990 -0.130 0.000 1.249 303 C CA 1.041 60.015 59.018 -0.074 0.000 1.725 303 C CB -0.728 26.992 27.740 -0.032 0.000 2.028 303 C HN 0.363 nan 8.230 nan 0.000 0.477 304 V N 0.908 120.692 119.914 -0.218 0.000 2.287 304 V HA -0.188 3.931 4.120 -0.001 0.000 0.248 304 V C 2.591 178.428 176.094 -0.428 0.000 1.053 304 V CA 2.553 64.564 62.300 -0.481 0.000 1.027 304 V CB -0.962 30.557 31.823 -0.506 0.000 0.646 304 V HN 0.627 nan 8.190 nan 0.000 0.447 305 E N 0.686 120.720 120.200 -0.277 0.000 2.110 305 E HA -0.171 4.179 4.350 -0.001 0.000 0.193 305 E C 2.119 178.594 176.600 -0.208 0.000 0.988 305 E CA 1.618 57.883 56.400 -0.226 0.000 0.804 305 E CB -0.521 29.068 29.700 -0.184 0.000 0.745 305 E HN 0.517 nan 8.360 nan 0.000 0.458 306 A N 0.477 123.189 122.820 -0.180 0.000 1.902 306 A HA -0.134 4.186 4.320 -0.001 0.000 0.217 306 A C 2.292 179.809 177.584 -0.112 0.000 1.181 306 A CA 1.426 53.372 52.037 -0.151 0.000 0.623 306 A CB -0.633 18.314 19.000 -0.089 0.000 0.818 306 A HN 0.348 nan 8.150 nan 0.000 0.443 307 L N -1.105 120.077 121.223 -0.068 0.000 2.109 307 L HA -0.133 4.206 4.340 -0.001 0.000 0.207 307 L C 2.538 179.408 176.870 0.001 0.000 1.086 307 L CA 1.375 56.227 54.840 0.020 0.000 0.760 307 L CB -0.541 41.634 42.059 0.194 0.000 0.910 307 L HN 0.399 nan 8.230 nan 0.000 0.437 308 K N -0.098 120.260 120.400 -0.071 0.000 2.032 308 K HA -0.166 4.154 4.320 -0.001 0.000 0.209 308 K C 2.065 178.618 176.600 -0.079 0.000 1.048 308 K CA 1.273 57.526 56.287 -0.057 0.000 0.927 308 K CB -0.239 32.190 32.500 -0.118 0.000 0.712 308 K HN 0.074 nan 8.250 nan 0.000 0.441 309 V N 1.650 121.477 119.914 -0.146 0.000 2.287 309 V HA -0.262 3.857 4.120 -0.001 0.000 0.248 309 V C 2.240 178.257 176.094 -0.128 0.000 1.053 309 V CA 1.592 63.774 62.300 -0.197 0.000 1.027 309 V CB -0.379 31.168 31.823 -0.460 0.000 0.646 309 V HN 0.275 nan 8.190 nan 0.000 0.447 310 L N -0.569 120.588 121.223 -0.110 0.000 2.043 310 L HA -0.220 4.119 4.340 -0.001 0.000 0.212 310 L C 2.092 178.931 176.870 -0.051 0.000 1.075 310 L CA 2.135 56.935 54.840 -0.067 0.000 0.752 310 L CB -0.314 41.718 42.059 -0.046 0.000 0.891 310 L HN 0.242 nan 8.230 nan 0.000 0.432 311 I N -1.268 119.275 120.570 -0.046 0.000 2.339 311 I HA -0.176 3.994 4.170 -0.001 0.000 0.245 311 I C 1.944 178.039 176.117 -0.037 0.000 1.096 311 I CA 0.606 61.878 61.300 -0.046 0.000 1.408 311 I CB -0.397 37.578 38.000 -0.042 0.000 1.092 311 I HN 0.264 nan 8.210 nan 0.000 0.423 312 N N 1.093 119.776 118.700 -0.029 0.000 2.205 312 N HA -0.189 4.551 4.740 -0.001 0.000 0.186 312 N C 1.272 176.776 175.510 -0.011 0.000 1.015 312 N CA 1.270 54.309 53.050 -0.019 0.000 0.862 312 N CB -0.216 38.262 38.487 -0.015 0.000 0.986 312 N HN 0.461 nan 8.380 nan 0.000 0.429 313 E N 0.499 120.693 120.200 -0.010 0.000 2.465 313 E HA 0.088 4.437 4.350 -0.001 0.000 0.191 313 E C -0.239 176.357 176.600 -0.007 0.000 1.053 313 E CA -0.127 56.277 56.400 0.005 0.000 0.869 313 E CB 0.282 30.000 29.700 0.031 0.000 0.977 313 E HN 0.080 nan 8.360 nan 0.000 0.483 314 K N 0.228 120.615 120.400 -0.020 0.000 3.069 314 K HA -0.223 4.096 4.320 -0.001 0.000 0.267 314 K C 0.803 177.387 176.600 -0.027 0.000 1.082 314 K CA 0.397 56.669 56.287 -0.026 0.000 0.782 314 K CB -2.053 30.435 32.500 -0.019 0.000 1.230 314 K HN 0.337 nan 8.250 nan 0.000 0.488 315 L N -1.063 120.142 121.223 -0.029 0.000 2.131 315 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 315 L C 2.493 179.341 176.870 -0.037 0.000 1.092 315 L CA 1.665 56.486 54.840 -0.032 0.000 0.759 315 L CB -0.466 41.572 42.059 -0.034 0.000 0.903 315 L HN 0.363 nan 8.230 nan 0.000 0.435 316 C N 0.032 119.307 119.300 -0.043 0.000 2.429 316 C HA -0.124 4.335 4.460 -0.001 0.000 0.277 316 C C 2.620 177.593 174.990 -0.029 0.000 1.262 316 C CA 0.492 59.484 59.018 -0.043 0.000 1.733 316 C CB -0.694 27.006 27.740 -0.068 0.000 2.010 316 C HN 0.507 nan 8.230 nan 0.000 0.483 317 E N 1.334 121.517 120.200 -0.029 0.000 2.047 317 E HA -0.138 4.212 4.350 -0.001 0.000 0.191 317 E C 1.908 178.503 176.600 -0.009 0.000 0.987 317 E CA 1.084 57.475 56.400 -0.016 0.000 0.799 317 E CB -0.533 29.156 29.700 -0.018 0.000 0.752 317 E HN 0.565 nan 8.360 nan 0.000 0.449 318 N N 0.288 118.978 118.700 -0.016 0.000 2.069 318 N HA -0.170 4.570 4.740 -0.001 0.000 0.191 318 N C 1.542 177.038 175.510 -0.022 0.000 1.031 318 N CA 1.710 54.749 53.050 -0.019 0.000 0.852 318 N CB -0.312 38.159 38.487 -0.027 0.000 1.018 318 N HN 0.191 nan 8.380 nan 0.000 0.423 319 A N -0.276 122.527 122.820 -0.027 0.000 1.930 319 A HA -0.126 4.194 4.320 -0.001 0.000 0.217 319 A C 2.004 179.592 177.584 0.006 0.000 1.175 319 A CA 1.810 53.831 52.037 -0.028 0.000 0.627 319 A CB -0.753 18.227 19.000 -0.033 0.000 0.815 319 A HN 0.396 nan 8.150 nan 0.000 0.443 320 D N -0.491 119.922 120.400 0.021 0.000 2.178 320 D HA -0.085 4.555 4.640 -0.001 0.000 0.202 320 D C 1.987 178.309 176.300 0.038 0.000 0.974 320 D CA 1.238 55.266 54.000 0.048 0.000 0.841 320 D CB -0.011 40.824 40.800 0.060 0.000 0.953 320 D HN 0.504 nan 8.370 nan 0.000 0.478 321 K N -0.345 120.069 120.400 0.024 0.000 2.005 321 K HA 0.043 4.362 4.320 -0.001 0.000 0.206 321 K C 2.267 178.886 176.600 0.031 0.000 1.044 321 K CA 0.611 56.913 56.287 0.025 0.000 0.942 321 K CB -0.124 32.385 32.500 0.016 0.000 0.727 321 K HN 0.173 nan 8.250 nan 0.000 0.439 322 L N 0.660 121.895 121.223 0.020 0.000 2.217 322 L HA -0.034 4.305 4.340 -0.001 0.000 0.211 322 L C 2.456 179.369 176.870 0.073 0.000 1.107 322 L CA 0.794 55.651 54.840 0.028 0.000 0.783 322 L CB -0.872 41.174 42.059 -0.022 0.000 0.919 322 L HN 0.347 nan 8.230 nan 0.000 0.442 323 G N 0.419 109.256 108.800 0.061 0.000 2.552 323 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.216 323 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.216 323 G C 1.787 176.779 174.900 0.154 0.000 1.240 323 G CA 0.951 46.114 45.100 0.105 0.000 0.796 323 G HN 0.421 nan 8.290 nan 0.000 0.568 324 A N 1.638 124.512 122.820 0.090 0.000 1.883 324 A HA 0.031 4.351 4.320 -0.001 0.000 0.217 324 A C 0.870 178.495 177.584 0.069 0.000 1.186 324 A CA 2.291 54.367 52.037 0.066 0.000 0.624 324 A CB -1.349 17.673 19.000 0.037 0.000 0.822 324 A HN 0.394 nan 8.150 nan 0.000 0.444 325 P HA -0.203 nan 4.420 nan 0.000 0.214 325 P C 1.535 178.895 177.300 0.100 0.000 1.163 325 P CA 1.366 64.512 63.100 0.077 0.000 0.889 325 P CB -0.227 31.525 31.700 0.086 0.000 0.790 326 F N 0.034 119.988 119.950 0.007 0.000 2.095 326 F HA -0.179 4.347 4.527 -0.001 0.000 0.298 326 F C 2.055 177.862 175.800 0.013 0.000 1.104 326 F CA 1.277 59.284 58.000 0.011 0.000 1.232 326 F CB -1.101 37.907 39.000 0.015 0.000 0.987 326 F HN -0.243 nan 8.300 nan 0.000 0.475 327 L N 0.324 121.482 121.223 -0.109 0.000 2.056 327 L HA -0.183 4.157 4.340 -0.001 0.000 0.207 327 L C 2.512 179.272 176.870 -0.183 0.000 1.078 327 L CA 1.935 56.647 54.840 -0.213 0.000 0.749 327 L CB -0.877 41.169 42.059 -0.021 0.000 0.901 327 L HN 0.293 nan 8.230 nan 0.000 0.433 328 Q N -0.362 119.383 119.800 -0.091 0.000 2.046 328 Q HA -0.224 4.115 4.340 -0.001 0.000 0.200 328 Q C 2.085 178.034 176.000 -0.085 0.000 0.975 328 Q CA 1.909 57.672 55.803 -0.067 0.000 0.836 328 Q CB -0.480 28.243 28.738 -0.025 0.000 0.896 328 Q HN 0.518 nan 8.270 nan 0.000 0.428 329 N N -0.437 118.210 118.700 -0.089 0.000 2.205 329 N HA -0.158 4.582 4.740 -0.001 0.000 0.186 329 N C 1.440 176.870 175.510 -0.133 0.000 1.015 329 N CA 1.045 54.046 53.050 -0.081 0.000 0.862 329 N CB -0.309 38.154 38.487 -0.040 0.000 0.986 329 N HN 0.335 nan 8.380 nan 0.000 0.429 330 L N 1.108 122.179 121.223 -0.253 0.000 2.072 330 L HA 0.030 4.369 4.340 -0.001 0.000 0.205 330 L C 2.306 179.077 176.870 -0.164 0.000 1.079 330 L CA 1.601 56.277 54.840 -0.273 0.000 0.752 330 L CB -0.775 40.977 42.059 -0.512 0.000 0.906 330 L HN 0.138 nan 8.230 nan 0.000 0.436 331 K N -0.885 119.425 120.400 -0.149 0.000 2.063 331 K HA -0.214 4.105 4.320 -0.001 0.000 0.208 331 K C 2.048 178.609 176.600 -0.065 0.000 1.048 331 K CA 1.471 57.700 56.287 -0.096 0.000 0.928 331 K CB -0.046 32.407 32.500 -0.078 0.000 0.713 331 K HN 0.268 nan 8.250 nan 0.000 0.442 332 E N 0.809 120.973 120.200 -0.060 0.000 2.028 332 E HA -0.183 4.167 4.350 -0.001 0.000 0.191 332 E C 1.977 178.559 176.600 -0.029 0.000 0.988 332 E CA 1.358 57.735 56.400 -0.037 0.000 0.799 332 E CB -0.014 29.667 29.700 -0.030 0.000 0.755 332 E HN 0.477 nan 8.360 nan 0.000 0.447 333 Q N -0.320 119.459 119.800 -0.035 0.000 2.436 333 Q HA 0.008 4.347 4.340 -0.001 0.000 0.209 333 Q C 1.592 177.588 176.000 -0.006 0.000 0.965 333 Q CA 0.425 56.218 55.803 -0.016 0.000 0.910 333 Q CB 0.243 28.972 28.738 -0.014 0.000 0.980 333 Q HN 0.228 nan 8.270 nan 0.000 0.491 334 L N 0.253 121.465 121.223 -0.018 0.000 2.906 334 L HA 0.106 4.446 4.340 -0.001 0.000 0.255 334 L C 1.791 178.655 176.870 -0.010 0.000 1.166 334 L CA -0.094 54.743 54.840 -0.006 0.000 0.977 334 L CB 0.144 42.191 42.059 -0.021 0.000 1.313 334 L HN 0.111 nan 8.230 nan 0.000 0.549 335 K N -0.609 119.782 120.400 -0.014 0.000 2.209 335 K HA -0.147 4.173 4.320 -0.001 0.000 0.204 335 K C 0.502 177.100 176.600 -0.002 0.000 1.048 335 K CA 1.503 57.782 56.287 -0.013 0.000 0.940 335 K CB -0.015 32.477 32.500 -0.013 0.000 0.729 335 K HN 0.195 nan 8.250 nan 0.000 0.451 336 D N 1.169 121.572 120.400 0.006 0.000 2.349 336 D HA -0.009 4.630 4.640 -0.001 0.000 0.214 336 D C 0.026 176.339 176.300 0.022 0.000 1.063 336 D CA 0.199 54.206 54.000 0.012 0.000 0.847 336 D CB 0.518 41.325 40.800 0.012 0.000 0.933 336 D HN 0.193 nan 8.370 nan 0.000 0.513 337 S N 0.761 116.478 115.700 0.028 0.000 2.533 337 S HA 0.019 4.489 4.470 -0.001 0.000 0.282 337 S C 1.213 175.842 174.600 0.050 0.000 1.304 337 S CA -0.249 57.981 58.200 0.050 0.000 1.063 337 S CB 1.594 64.835 63.200 0.068 0.000 0.881 337 S HN -0.020 nan 8.310 nan 0.000 0.493 338 K N 2.907 123.344 120.400 0.061 0.000 2.167 338 K HA -0.013 4.306 4.320 -0.001 0.000 0.203 338 K C 1.779 178.429 176.600 0.083 0.000 1.052 338 K CA 1.407 57.729 56.287 0.058 0.000 0.956 338 K CB -0.181 32.349 32.500 0.050 0.000 0.735 338 K HN 0.724 nan 8.250 nan 0.000 0.451 339 V N -1.415 118.577 119.914 0.130 0.000 2.719 339 V HA 0.054 4.174 4.120 -0.001 0.000 0.252 339 V C 0.927 177.162 176.094 0.234 0.000 1.065 339 V CA 0.123 62.541 62.300 0.197 0.000 1.086 339 V CB -0.109 31.861 31.823 0.245 0.000 0.700 339 V HN -0.164 nan 8.190 nan 0.000 0.467 340 V N 2.062 122.049 119.914 0.123 0.000 2.521 340 V HA 0.252 4.371 4.120 -0.001 0.000 0.286 340 V C 1.553 177.605 176.094 -0.070 0.000 1.034 340 V CA 0.657 62.905 62.300 -0.087 0.000 1.045 340 V CB 0.700 32.450 31.823 -0.122 0.000 0.974 340 V HN 0.615 nan 8.190 nan 0.000 0.480 341 R N 3.926 124.360 120.500 -0.111 0.000 2.075 341 R HA 0.189 4.529 4.340 -0.001 0.000 0.220 341 R C 0.653 176.907 176.300 -0.076 0.000 1.118 341 R CA 1.047 57.112 56.100 -0.059 0.000 0.986 341 R CB 0.356 30.639 30.300 -0.028 0.000 0.884 341 R HN 0.813 nan 8.270 nan 0.000 0.439 342 E N -0.750 119.376 120.200 -0.124 0.000 2.378 342 E HA 0.237 4.587 4.350 -0.001 0.000 0.283 342 E C -1.767 174.756 176.600 -0.127 0.000 0.979 342 E CA -0.751 55.592 56.400 -0.096 0.000 0.795 342 E CB 2.009 31.677 29.700 -0.052 0.000 1.221 342 E HN -0.030 nan 8.360 nan 0.000 0.428 343 V N 4.019 123.872 119.914 -0.101 0.000 2.407 343 V HA 0.567 4.686 4.120 -0.001 0.000 0.278 343 V C 0.104 176.168 176.094 -0.050 0.000 1.037 343 V CA -0.326 61.918 62.300 -0.094 0.000 0.900 343 V CB 1.245 33.003 31.823 -0.109 0.000 0.983 343 V HN 0.579 nan 8.190 nan 0.000 0.459 344 R N 2.365 122.851 120.500 -0.024 0.000 2.837 344 R HA 0.878 5.218 4.340 -0.001 0.000 0.271 344 R C -0.094 176.225 176.300 0.033 0.000 0.993 344 R CA -0.511 55.594 56.100 0.009 0.000 0.931 344 R CB 2.514 32.827 30.300 0.023 0.000 1.206 344 R HN 0.974 nan 8.270 nan 0.000 0.474 345 G N 0.768 109.597 108.800 0.047 0.000 2.320 345 G HA2 0.266 4.226 3.960 -0.001 0.000 0.297 345 G HA3 0.266 4.226 3.960 -0.001 0.000 0.297 345 G C -1.950 172.986 174.900 0.061 0.000 1.344 345 G CA -0.779 44.360 45.100 0.065 0.000 0.851 345 G HN 0.446 nan 8.290 nan 0.000 0.567 346 K N -0.395 120.042 120.400 0.061 0.000 2.575 346 K HA 0.551 4.870 4.320 -0.001 0.000 0.255 346 K C 0.756 177.380 176.600 0.039 0.000 0.953 346 K CA 0.693 56.998 56.287 0.030 0.000 0.840 346 K CB 1.255 33.769 32.500 0.023 0.000 1.303 346 K HN 2.463 nan 8.250 nan 0.000 0.438 347 G N 2.906 111.724 108.800 0.031 0.000 2.622 347 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.307 347 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.307 347 G C 0.152 175.080 174.900 0.047 0.000 1.226 347 G CA 0.376 45.504 45.100 0.047 0.000 0.997 347 G HN 0.552 nan 8.290 nan 0.000 0.551 348 L N 0.167 121.394 121.223 0.006 0.000 2.848 348 L HA 0.432 4.772 4.340 -0.001 0.000 0.240 348 L C 0.343 177.192 176.870 -0.035 0.000 1.232 348 L CA -0.330 54.484 54.840 -0.044 0.000 1.031 348 L CB 0.466 42.443 42.059 -0.137 0.000 1.338 348 L HN 0.353 nan 8.230 nan 0.000 0.509 349 L N 0.759 121.994 121.223 0.019 0.000 2.314 349 L HA 0.423 4.763 4.340 -0.001 0.000 0.275 349 L C -0.459 176.452 176.870 0.068 0.000 1.068 349 L CA -0.068 54.791 54.840 0.033 0.000 0.894 349 L CB 0.240 42.326 42.059 0.045 0.000 1.275 349 L HN 0.078 nan 8.230 nan 0.000 0.432 350 C N 2.991 122.342 119.300 0.085 0.000 2.848 350 C HA 1.019 5.478 4.460 -0.001 0.000 0.317 350 C C 0.154 175.211 174.990 0.111 0.000 1.260 350 C CA -0.591 58.502 59.018 0.125 0.000 1.656 350 C CB 1.190 29.073 27.740 0.239 0.000 2.174 350 C HN 0.968 nan 8.230 nan 0.000 0.479 351 A N 0.855 123.729 122.820 0.090 0.000 2.612 351 A HA 0.868 5.188 4.320 -0.001 0.000 0.293 351 A C -1.628 175.970 177.584 0.023 0.000 1.075 351 A CA -0.374 51.709 52.037 0.077 0.000 0.680 351 A CB 0.801 19.845 19.000 0.073 0.000 1.279 351 A HN 0.766 nan 8.150 nan 0.000 0.411 352 I N 1.259 121.832 120.570 0.005 0.000 2.389 352 I HA 0.353 4.523 4.170 -0.001 0.000 0.288 352 I C 0.037 176.014 176.117 -0.234 0.000 0.999 352 I CA -0.282 60.912 61.300 -0.178 0.000 1.129 352 I CB 1.879 39.702 38.000 -0.296 0.000 1.288 352 I HN 0.854 nan 8.210 nan 0.000 0.444 353 E N 6.177 126.232 120.200 -0.243 0.000 2.227 353 E HA 0.440 4.790 4.350 -0.001 0.000 0.282 353 E C -1.493 174.915 176.600 -0.319 0.000 1.015 353 E CA -0.419 55.896 56.400 -0.142 0.000 0.823 353 E CB 0.975 30.652 29.700 -0.038 0.000 1.081 353 E HN 0.315 nan 8.360 nan 0.000 0.396 354 F N 2.398 122.368 119.950 0.032 0.000 2.483 354 F HA 0.332 4.859 4.527 -0.001 0.000 0.329 354 F C 0.461 176.271 175.800 0.016 0.000 1.064 354 F CA -1.020 56.988 58.000 0.013 0.000 0.986 354 F CB 1.298 40.288 39.000 -0.017 0.000 1.218 354 F HN 0.223 nan 8.300 nan 0.000 0.484 355 K N 2.675 123.198 120.400 0.206 0.000 2.228 355 K HA 0.048 4.368 4.320 -0.001 0.000 0.284 355 K C 0.470 177.143 176.600 0.121 0.000 1.088 355 K CA -0.052 56.310 56.287 0.125 0.000 0.941 355 K CB -0.142 32.414 32.500 0.093 0.000 1.158 355 K HN 0.600 nan 8.250 nan 0.000 0.438 356 N N 1.549 120.313 118.700 0.107 0.000 2.573 356 N HA -0.164 4.576 4.740 -0.001 0.000 0.187 356 N C 0.232 175.778 175.510 0.059 0.000 1.107 356 N CA 0.739 53.838 53.050 0.083 0.000 0.918 356 N CB 0.147 38.683 38.487 0.082 0.000 0.966 356 N HN 0.311 nan 8.380 nan 0.000 0.448 357 D N 0.252 120.685 120.400 0.056 0.000 2.317 357 D HA 0.088 4.727 4.640 -0.001 0.000 0.211 357 D C 1.791 178.119 176.300 0.047 0.000 0.966 357 D CA 0.350 54.377 54.000 0.045 0.000 0.876 357 D CB 0.359 41.182 40.800 0.038 0.000 0.927 357 D HN 0.362 nan 8.370 nan 0.000 0.519 358 L N -0.300 120.957 121.223 0.057 0.000 2.425 358 L HA 0.153 4.492 4.340 -0.001 0.000 0.215 358 L C 0.657 177.565 176.870 0.063 0.000 1.065 358 L CA 0.153 55.030 54.840 0.061 0.000 0.842 358 L CB 0.413 42.515 42.059 0.072 0.000 1.033 358 L HN -0.170 nan 8.230 nan 0.000 0.474 359 V N -3.696 116.242 119.914 0.041 0.000 2.962 359 V HA 0.449 4.569 4.120 -0.001 0.000 0.313 359 V C -0.661 175.407 176.094 -0.044 0.000 1.099 359 V CA -0.968 61.324 62.300 -0.013 0.000 0.971 359 V CB 2.116 33.836 31.823 -0.171 0.000 1.028 359 V HN 0.097 nan 8.190 nan 0.000 0.430 360 N N 1.377 120.051 118.700 -0.042 0.000 2.419 360 N HA 0.279 5.019 4.740 -0.001 0.000 0.264 360 N C 0.572 176.001 175.510 -0.134 0.000 1.031 360 N CA -0.187 52.852 53.050 -0.018 0.000 0.951 360 N CB 2.026 40.559 38.487 0.077 0.000 1.101 360 N HN 0.597 nan 8.380 nan 0.000 0.488 361 V N 4.494 124.357 119.914 -0.084 0.000 2.591 361 V HA -0.113 4.006 4.120 -0.001 0.000 0.249 361 V C 2.062 178.122 176.094 -0.056 0.000 1.053 361 V CA 0.843 63.044 62.300 -0.166 0.000 1.068 361 V CB -0.661 31.149 31.823 -0.022 0.000 0.689 361 V HN 0.755 nan 8.190 nan 0.000 0.462 362 W N 1.618 122.862 121.300 -0.093 0.000 2.335 362 W HA -0.217 4.442 4.660 -0.001 0.000 0.311 362 W C 1.931 178.412 176.519 -0.065 0.000 1.213 362 W CA 2.158 59.475 57.345 -0.047 0.000 1.274 362 W CB -0.191 29.261 29.460 -0.012 0.000 1.148 362 W HN 0.351 nan 8.180 nan 0.000 0.498 363 D N 0.563 120.999 120.400 0.060 0.000 2.144 363 D HA -0.172 4.468 4.640 -0.001 0.000 0.199 363 D C 2.153 178.380 176.300 -0.120 0.000 0.984 363 D CA 1.679 55.701 54.000 0.036 0.000 0.834 363 D CB -0.608 40.344 40.800 0.253 0.000 0.955 363 D HN 0.282 nan 8.370 nan 0.000 0.465 364 I N 0.561 120.820 120.570 -0.518 0.000 2.163 364 I HA -0.297 3.873 4.170 -0.001 0.000 0.243 364 I C 2.454 178.246 176.117 -0.541 0.000 1.085 364 I CA 0.741 61.537 61.300 -0.840 0.000 1.347 364 I CB -0.233 37.062 38.000 -1.175 0.000 1.044 364 I HN 0.072 nan 8.210 nan 0.000 0.408 365 C N 0.665 119.783 119.300 -0.303 0.000 2.429 365 C HA -0.126 4.333 4.460 -0.001 0.000 0.277 365 C C 2.733 177.605 174.990 -0.197 0.000 1.262 365 C CA 0.509 59.460 59.018 -0.113 0.000 1.733 365 C CB -0.999 26.626 27.740 -0.191 0.000 2.010 365 C HN 0.454 nan 8.230 nan 0.000 0.483 366 L N 0.690 121.699 121.223 -0.357 0.000 2.079 366 L HA -0.180 4.159 4.340 -0.001 0.000 0.210 366 L C 2.591 179.370 176.870 -0.151 0.000 1.081 366 L CA 1.454 56.125 54.840 -0.282 0.000 0.752 366 L CB -0.652 41.238 42.059 -0.282 0.000 0.896 366 L HN 0.278 nan 8.230 nan 0.000 0.433 367 K N 0.036 120.344 120.400 -0.153 0.000 2.103 367 K HA -0.110 4.210 4.320 -0.001 0.000 0.204 367 K C 1.852 178.391 176.600 -0.102 0.000 1.052 367 K CA 1.269 57.453 56.287 -0.171 0.000 0.945 367 K CB -0.260 32.157 32.500 -0.140 0.000 0.722 367 K HN -0.046 nan 8.250 nan 0.000 0.443 368 F N 1.802 121.716 119.950 -0.060 0.000 2.095 368 F HA -0.196 4.330 4.527 -0.001 0.000 0.298 368 F C 2.266 178.056 175.800 -0.017 0.000 1.104 368 F CA 1.456 59.428 58.000 -0.046 0.000 1.232 368 F CB -0.630 38.330 39.000 -0.067 0.000 0.987 368 F HN 0.070 nan 8.300 nan 0.000 0.475 369 K N 0.924 121.416 120.400 0.154 0.000 2.009 369 K HA -0.252 4.067 4.320 -0.001 0.000 0.210 369 K C 2.093 178.811 176.600 0.197 0.000 1.049 369 K CA 1.893 58.248 56.287 0.115 0.000 0.929 369 K CB -0.585 31.884 32.500 -0.053 0.000 0.714 369 K HN 0.355 nan 8.250 nan 0.000 0.440 370 E N 0.361 120.608 120.200 0.077 0.000 2.130 370 E HA -0.186 4.163 4.350 -0.001 0.000 0.196 370 E C 1.160 177.787 176.600 0.045 0.000 0.998 370 E CA 1.435 57.859 56.400 0.041 0.000 0.806 370 E CB -0.048 29.617 29.700 -0.058 0.000 0.738 370 E HN 0.457 nan 8.360 nan 0.000 0.459 371 N N -1.435 117.304 118.700 0.066 0.000 2.398 371 N HA 0.059 4.798 4.740 -0.001 0.000 0.188 371 N C 0.456 176.028 175.510 0.103 0.000 1.122 371 N CA 0.280 53.371 53.050 0.069 0.000 0.866 371 N CB 0.830 39.366 38.487 0.082 0.000 0.970 371 N HN 0.252 nan 8.380 nan 0.000 0.462 372 G N 1.104 109.996 108.800 0.153 0.000 2.134 372 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.209 372 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.209 372 G C -0.388 174.687 174.900 0.291 0.000 0.993 372 G CA -0.331 44.857 45.100 0.146 0.000 0.669 372 G HN 0.273 nan 8.290 nan 0.000 0.519 373 L N 1.175 122.558 121.223 0.267 0.000 2.470 373 L HA 0.828 5.168 4.340 -0.001 0.000 0.268 373 L C -0.073 176.851 176.870 0.090 0.000 0.964 373 L CA -1.480 53.448 54.840 0.147 0.000 0.839 373 L CB 1.474 43.438 42.059 -0.157 0.000 1.276 373 L HN 0.342 nan 8.230 nan 0.000 0.403 374 I N 1.533 122.142 120.570 0.065 0.000 2.441 374 I HA 0.844 5.014 4.170 -0.001 0.000 0.295 374 I C -0.425 175.676 176.117 -0.026 0.000 0.994 374 I CA -0.092 61.189 61.300 -0.033 0.000 1.144 374 I CB 1.992 39.896 38.000 -0.159 0.000 1.314 374 I HN 0.680 nan 8.210 nan 0.000 0.445 375 T N 3.388 117.914 114.554 -0.048 0.000 2.653 375 T HA 0.594 4.943 4.350 -0.001 0.000 0.306 375 T C -1.554 173.130 174.700 -0.027 0.000 1.426 375 T CA -0.697 61.379 62.100 -0.039 0.000 1.008 375 T CB 1.792 70.640 68.868 -0.033 0.000 1.692 375 T HN 0.895 nan 8.240 nan 0.000 0.483 376 R N 0.211 120.715 120.500 0.006 0.000 2.774 376 R HA 0.739 5.079 4.340 -0.001 0.000 0.272 376 R C -1.234 175.132 176.300 0.110 0.000 1.000 376 R CA -0.354 55.777 56.100 0.051 0.000 0.906 376 R CB 1.974 32.320 30.300 0.076 0.000 1.227 376 R HN 0.809 nan 8.270 nan 0.000 0.468 377 S N 0.856 116.643 115.700 0.145 0.000 2.489 377 S HA 0.531 5.001 4.470 -0.001 0.000 0.291 377 S C -0.611 174.071 174.600 0.136 0.000 1.151 377 S CA -0.817 57.479 58.200 0.159 0.000 1.082 377 S CB 1.812 65.115 63.200 0.172 0.000 1.019 377 S HN 0.385 nan 8.310 nan 0.000 0.492 378 V N 5.145 125.115 119.914 0.092 0.000 2.481 378 V HA 0.398 4.517 4.120 -0.001 0.000 0.286 378 V C 0.292 176.382 176.094 -0.005 0.000 1.042 378 V CA 0.344 62.616 62.300 -0.047 0.000 0.928 378 V CB -0.161 31.581 31.823 -0.135 0.000 0.986 378 V HN 1.118 nan 8.190 nan 0.000 0.462 379 H N 3.903 123.030 119.070 0.096 0.000 1.452 379 H HA -0.177 4.379 4.556 -0.001 0.000 0.090 379 H C 0.378 175.760 175.328 0.090 0.000 2.786 379 H CA 1.256 57.350 56.048 0.077 0.000 1.901 379 H CB -0.795 29.005 29.762 0.064 0.000 2.257 379 H HN 0.846 nan 8.280 nan 0.000 0.961 380 D N 0.993 121.538 120.400 0.241 0.000 2.349 380 D HA 0.106 4.745 4.640 -0.001 0.000 0.214 380 D C 1.251 177.644 176.300 0.155 0.000 1.063 380 D CA 0.676 54.770 54.000 0.156 0.000 0.847 380 D CB 0.505 41.369 40.800 0.107 0.000 0.933 380 D HN 0.393 nan 8.370 nan 0.000 0.513 381 K N -0.377 120.137 120.400 0.190 0.000 2.443 381 K HA 0.140 4.460 4.320 -0.001 0.000 0.200 381 K C 0.380 177.139 176.600 0.264 0.000 1.278 381 K CA 0.320 56.727 56.287 0.201 0.000 0.925 381 K CB 0.933 33.527 32.500 0.157 0.000 1.225 381 K HN -0.166 nan 8.250 nan 0.000 0.514 382 T N 1.905 116.598 114.554 0.231 0.000 2.823 382 T HA 0.397 4.747 4.350 -0.001 0.000 0.279 382 T C -0.680 174.163 174.700 0.237 0.000 0.998 382 T CA -0.544 61.687 62.100 0.218 0.000 0.994 382 T CB 2.329 71.288 68.868 0.152 0.000 0.960 382 T HN -0.224 nan 8.240 nan 0.000 0.448 383 V N 3.627 123.717 119.914 0.293 0.000 2.427 383 V HA 0.484 4.604 4.120 -0.001 0.000 0.286 383 V C 0.353 176.557 176.094 0.182 0.000 1.034 383 V CA -0.927 61.538 62.300 0.276 0.000 0.893 383 V CB 1.456 33.554 31.823 0.458 0.000 0.982 383 V HN 0.642 nan 8.190 nan 0.000 0.452 384 R N 4.501 125.081 120.500 0.133 0.000 2.438 384 R HA 0.455 4.794 4.340 -0.001 0.000 0.287 384 R C -1.001 175.361 176.300 0.103 0.000 1.077 384 R CA 0.117 56.276 56.100 0.098 0.000 1.034 384 R CB 0.211 30.550 30.300 0.066 0.000 0.993 384 R HN 0.689 nan 8.270 nan 0.000 0.459 385 L N 4.975 126.275 121.223 0.127 0.000 2.433 385 L HA 0.361 4.701 4.340 -0.001 0.000 0.256 385 L C -0.638 176.258 176.870 0.044 0.000 1.063 385 L CA -0.435 54.550 54.840 0.241 0.000 0.922 385 L CB 1.578 43.847 42.059 0.349 0.000 1.238 385 L HN 0.858 nan 8.230 nan 0.000 0.466 386 T N -0.723 113.737 114.554 -0.156 0.000 3.135 386 T HA 0.406 4.755 4.350 -0.001 0.000 0.357 386 T C -2.788 171.609 174.700 -0.505 0.000 1.112 386 T CA -1.699 60.227 62.100 -0.290 0.000 1.290 386 T CB 1.382 70.162 68.868 -0.146 0.000 1.018 386 T HN 0.078 nan 8.240 nan 0.000 0.527 387 P HA 0.423 nan 4.420 nan 0.000 0.276 387 P C -2.776 174.261 177.300 -0.439 0.000 1.244 387 P CA -1.857 60.736 63.100 -0.846 0.000 0.801 387 P CB 0.036 31.001 31.700 -1.226 0.000 1.006 388 P HA 0.073 nan 4.420 nan 0.000 0.268 388 P C 0.947 178.129 177.300 -0.197 0.000 1.208 388 P CA 0.322 63.295 63.100 -0.211 0.000 0.777 388 P CB 0.199 31.805 31.700 -0.156 0.000 0.875 389 L N 1.470 122.609 121.223 -0.141 0.000 2.552 389 L HA -0.047 4.293 4.340 -0.001 0.000 0.227 389 L C 1.729 178.546 176.870 -0.089 0.000 1.146 389 L CA 0.728 55.497 54.840 -0.119 0.000 0.858 389 L CB -0.844 41.164 42.059 -0.086 0.000 0.969 389 L HN 0.497 nan 8.230 nan 0.000 0.451 390 C N -1.615 117.641 119.300 -0.073 0.000 2.551 390 C HA 0.287 4.747 4.460 -0.001 0.000 0.284 390 C C 1.221 176.174 174.990 -0.062 0.000 1.329 390 C CA -1.339 57.653 59.018 -0.044 0.000 1.683 390 C CB -1.879 25.857 27.740 -0.007 0.000 1.730 390 C HN 0.352 nan 8.230 nan 0.000 0.591 391 I N 3.384 123.892 120.570 -0.103 0.000 2.692 391 I HA 0.229 4.399 4.170 -0.001 0.000 0.284 391 I C 0.989 177.064 176.117 -0.071 0.000 1.159 391 I CA 0.605 61.841 61.300 -0.107 0.000 1.423 391 I CB 1.190 39.084 38.000 -0.177 0.000 1.380 391 I HN 0.547 nan 8.210 nan 0.000 0.580 392 T N 2.808 117.342 114.554 -0.033 0.000 2.918 392 T HA 0.238 4.588 4.350 -0.001 0.000 0.283 392 T C 0.886 175.578 174.700 -0.013 0.000 1.001 392 T CA -0.717 61.377 62.100 -0.010 0.000 1.041 392 T CB 1.589 70.470 68.868 0.022 0.000 1.028 392 T HN 0.746 nan 8.240 nan 0.000 0.511 393 K N 0.374 120.774 120.400 0.000 0.000 2.103 393 K HA -0.178 4.141 4.320 -0.001 0.000 0.207 393 K C 1.824 178.440 176.600 0.027 0.000 1.048 393 K CA 1.784 58.078 56.287 0.012 0.000 0.930 393 K CB -0.152 32.363 32.500 0.025 0.000 0.716 393 K HN 0.729 nan 8.250 nan 0.000 0.444 394 E N 0.476 120.699 120.200 0.038 0.000 2.106 394 E HA -0.181 4.169 4.350 -0.001 0.000 0.192 394 E C 2.057 178.697 176.600 0.066 0.000 0.984 394 E CA 1.302 57.735 56.400 0.056 0.000 0.806 394 E CB -0.059 29.681 29.700 0.067 0.000 0.750 394 E HN 0.373 nan 8.360 nan 0.000 0.458 395 Q N 0.150 119.991 119.800 0.070 0.000 2.084 395 Q HA -0.063 4.277 4.340 -0.001 0.000 0.202 395 Q C 2.197 178.142 176.000 -0.091 0.000 0.978 395 Q CA 0.973 56.823 55.803 0.078 0.000 0.844 395 Q CB -0.127 28.697 28.738 0.143 0.000 0.898 395 Q HN 0.286 nan 8.270 nan 0.000 0.426 396 L N 0.697 121.869 121.223 -0.084 0.000 2.191 396 L HA -0.212 4.128 4.340 -0.001 0.000 0.212 396 L C 1.589 178.477 176.870 0.030 0.000 1.103 396 L CA 0.708 55.483 54.840 -0.108 0.000 0.769 396 L CB -0.274 41.694 42.059 -0.152 0.000 0.908 396 L HN 0.254 nan 8.230 nan 0.000 0.438 397 D N -0.240 120.185 120.400 0.042 0.000 2.097 397 D HA -0.218 4.422 4.640 -0.001 0.000 0.197 397 D C 1.974 178.294 176.300 0.034 0.000 0.984 397 D CA 1.099 55.138 54.000 0.065 0.000 0.826 397 D CB 0.021 40.856 40.800 0.059 0.000 0.973 397 D HN 0.342 nan 8.370 nan 0.000 0.460 398 E N 0.024 120.229 120.200 0.008 0.000 2.085 398 E HA -0.170 4.179 4.350 -0.001 0.000 0.194 398 E C 1.954 178.500 176.600 -0.090 0.000 0.994 398 E CA 1.030 57.431 56.400 0.001 0.000 0.801 398 E CB 0.036 29.782 29.700 0.078 0.000 0.743 398 E HN 0.183 nan 8.360 nan 0.000 0.453 399 C N 0.271 119.426 119.300 -0.243 0.000 2.440 399 C HA -0.072 4.387 4.460 -0.001 0.000 0.278 399 C C 2.745 177.664 174.990 -0.118 0.000 1.295 399 C CA 1.210 60.016 59.018 -0.353 0.000 1.738 399 C CB -1.068 26.346 27.740 -0.543 0.000 1.987 399 C HN 0.564 nan 8.230 nan 0.000 0.492 400 T N 1.028 115.613 114.554 0.053 0.000 2.684 400 T HA -0.178 4.171 4.350 -0.001 0.000 0.267 400 T C 1.691 176.417 174.700 0.045 0.000 1.036 400 T CA 1.487 63.644 62.100 0.096 0.000 1.148 400 T CB -0.315 68.627 68.868 0.123 0.000 0.863 400 T HN 0.621 nan 8.240 nan 0.000 0.436 401 E N 0.813 121.034 120.200 0.035 0.000 2.070 401 E HA -0.115 4.234 4.350 -0.001 0.000 0.197 401 E C 2.299 178.932 176.600 0.054 0.000 1.004 401 E CA 1.051 57.477 56.400 0.042 0.000 0.805 401 E CB -0.435 29.290 29.700 0.041 0.000 0.744 401 E HN 0.526 nan 8.360 nan 0.000 0.451 402 I N 0.955 121.546 120.570 0.035 0.000 2.179 402 I HA -0.265 3.904 4.170 -0.001 0.000 0.242 402 I C 2.565 178.777 176.117 0.158 0.000 1.088 402 I CA 0.985 62.326 61.300 0.068 0.000 1.357 402 I CB -0.301 37.706 38.000 0.012 0.000 1.051 402 I HN 0.033 nan 8.210 nan 0.000 0.409 403 I N 0.068 120.718 120.570 0.134 0.000 2.163 403 I HA -0.272 3.897 4.170 -0.001 0.000 0.243 403 I C 2.534 178.804 176.117 0.256 0.000 1.085 403 I CA 1.280 62.759 61.300 0.299 0.000 1.347 403 I CB -0.419 37.662 38.000 0.134 0.000 1.044 403 I HN 0.029 nan 8.210 nan 0.000 0.408 404 V N 1.034 121.035 119.914 0.145 0.000 2.295 404 V HA -0.313 3.807 4.120 -0.001 0.000 0.246 404 V C 2.546 178.717 176.094 0.129 0.000 1.049 404 V CA 2.065 64.436 62.300 0.118 0.000 1.024 404 V CB -0.736 31.131 31.823 0.073 0.000 0.648 404 V HN 0.437 nan 8.190 nan 0.000 0.447 405 K N -0.203 120.268 120.400 0.118 0.000 2.103 405 K HA -0.205 4.114 4.320 -0.001 0.000 0.207 405 K C 2.105 178.786 176.600 0.135 0.000 1.048 405 K CA 2.064 58.417 56.287 0.110 0.000 0.930 405 K CB -0.261 32.290 32.500 0.085 0.000 0.716 405 K HN 0.539 nan 8.250 nan 0.000 0.444 406 T N 0.604 115.241 114.554 0.138 0.000 2.737 406 T HA -0.091 4.259 4.350 -0.001 0.000 0.265 406 T C 1.912 176.744 174.700 0.220 0.000 1.038 406 T CA 1.328 63.479 62.100 0.086 0.000 1.144 406 T CB -0.174 68.619 68.868 -0.126 0.000 0.866 406 T HN -0.002 nan 8.240 nan 0.000 0.434 407 V N 1.824 121.864 119.914 0.211 0.000 2.343 407 V HA -0.194 3.926 4.120 -0.001 0.000 0.247 407 V C 2.530 178.788 176.094 0.273 0.000 1.051 407 V CA 1.772 64.238 62.300 0.277 0.000 1.036 407 V CB -0.571 31.419 31.823 0.279 0.000 0.654 407 V HN 0.460 nan 8.190 nan 0.000 0.451 408 K N -0.320 120.200 120.400 0.201 0.000 2.103 408 K HA -0.259 4.061 4.320 -0.001 0.000 0.207 408 K C 2.105 178.783 176.600 0.130 0.000 1.048 408 K CA 2.033 58.405 56.287 0.142 0.000 0.930 408 K CB -0.373 32.190 32.500 0.105 0.000 0.716 408 K HN 0.430 nan 8.250 nan 0.000 0.444 409 F N 0.498 120.452 119.950 0.007 0.000 2.095 409 F HA -0.198 4.329 4.527 -0.001 0.000 0.298 409 F C 1.453 177.135 175.800 -0.197 0.000 1.104 409 F CA 1.619 59.544 58.000 -0.126 0.000 1.232 409 F CB -0.246 38.616 39.000 -0.230 0.000 0.987 409 F HN -0.015 nan 8.300 nan 0.000 0.475 410 F N 0.537 120.551 119.950 0.108 0.000 2.325 410 F HA -0.133 4.393 4.527 -0.001 0.000 0.299 410 F C 2.297 178.054 175.800 -0.073 0.000 1.090 410 F CA 1.212 59.202 58.000 -0.017 0.000 1.392 410 F CB -0.600 38.421 39.000 0.036 0.000 1.053 410 F HN -0.025 nan 8.300 nan 0.000 0.521 411 D N 0.322 120.793 120.400 0.119 0.000 2.084 411 D HA -0.148 4.491 4.640 -0.001 0.000 0.196 411 D C 1.713 177.991 176.300 -0.037 0.000 0.985 411 D CA 1.354 55.386 54.000 0.053 0.000 0.826 411 D CB -0.440 40.404 40.800 0.073 0.000 0.978 411 D HN 0.166 nan 8.370 nan 0.000 0.456 412 D N 0.470 120.816 120.400 -0.091 0.000 2.190 412 D HA -0.099 4.541 4.640 -0.001 0.000 0.200 412 D C 1.120 177.301 176.300 -0.199 0.000 0.992 412 D CA 0.841 54.758 54.000 -0.138 0.000 0.854 412 D CB -0.133 40.570 40.800 -0.162 0.000 0.936 412 D HN 0.176 nan 8.370 nan 0.000 0.462 413 N N 0.203 118.724 118.700 -0.298 0.000 2.187 413 N HA 0.075 4.814 4.740 -0.001 0.000 0.212 413 N C 0.249 175.649 175.510 -0.184 0.000 1.152 413 N CA -0.158 52.700 53.050 -0.321 0.000 0.872 413 N CB 0.801 38.923 38.487 -0.609 0.000 1.025 413 N HN 0.162 nan 8.380 nan 0.000 0.514 414 L N 0.000 121.165 121.223 -0.097 0.000 2.949 414 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 414 L CA 0.000 54.821 54.840 -0.031 0.000 0.813 414 L CB 0.000 42.071 42.059 0.020 0.000 0.961 414 L HN 0.000 nan 8.230 nan 0.000 0.502