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 3o82_1_B DATA FIRST_RESID 4 DATA SEQUENCE QLIEFVRWSP ERAQHYRNKG YWIDQPLTRI LTVGVQSHPH SLAIICGERQ DATA SEQUENCE LSYIELDRLS TNLATRLAEK GLGKGDTALV QLPNVAEFYI VFFALLKAGV DATA SEQUENCE VVLNALYSHR QYELNAFIKQ IQPKLLIGSR QHEVFSNNQF IDSLHDVNLS DATA SEQUENCE PEIILMLNHQ ATDFGLLDWI ETPAETFVDF SSTPADEVAF FQLSGGSTGT DATA SEQUENCE PKLIPRTHND YDYSVRASAE ICGLNSNTRL LCALPAPHNF MLSSPGALGV DATA SEQUENCE LHAGGCVVMA PNPEPLNCFS IIQRHQVNMA SLVPSAVIMW LEKAAQYKDQ DATA SEQUENCE IQSLKLLQVG GASFPESLAR QVPEVLNCKL QQVFGMAEGL VNYTRLDDSD DATA SEQUENCE EQIFTTQGRP ISSDDEIKIV DEQYREVPEG EIGMLATRGP YTFCGYYQSP DATA SEQUENCE EHNSQVFDED NYYYSGDLVQ RTPDGNLRVV GRIKD 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.044 176.000 0.074 0.000 1.003 4 Q CA 0.000 55.839 55.803 0.060 0.000 1.022 4 Q CB 0.000 28.775 28.738 0.062 0.000 1.108 5 L N 2.015 123.288 121.223 0.083 0.000 2.452 5 L HA 0.490 4.850 4.340 0.034 0.000 0.267 5 L C 0.804 177.754 176.870 0.134 0.000 1.188 5 L CA -1.042 53.854 54.840 0.093 0.000 0.821 5 L CB 0.449 42.566 42.059 0.097 0.000 1.102 5 L HN 0.693 nan 8.230 nan 0.000 0.470 6 I N 1.938 122.582 120.570 0.123 0.000 2.906 6 I HA -0.113 4.077 4.170 0.034 0.000 0.301 6 I C 0.811 177.117 176.117 0.315 0.000 1.221 6 I CA 0.646 62.062 61.300 0.194 0.000 1.435 6 I CB -0.539 37.485 38.000 0.040 0.000 1.345 6 I HN 0.674 nan 8.210 nan 0.000 0.558 7 E N 6.295 126.737 120.200 0.404 0.000 2.366 7 E HA 0.503 4.874 4.350 0.034 0.000 0.266 7 E C -0.639 176.307 176.600 0.577 0.000 1.051 7 E CA -0.136 56.501 56.400 0.394 0.000 0.884 7 E CB 1.075 30.902 29.700 0.212 0.000 1.006 7 E HN 0.472 nan 8.360 nan 0.000 0.417 8 F N -1.628 118.419 119.950 0.161 0.000 2.745 8 F HA 0.560 5.107 4.527 0.033 0.000 0.316 8 F C -1.481 174.330 175.800 0.018 0.000 1.155 8 F CA -1.428 56.652 58.000 0.132 0.000 0.937 8 F CB 0.690 39.758 39.000 0.112 0.000 1.361 8 F HN 0.077 nan 8.300 nan 0.000 0.472 9 V N 2.484 122.335 119.914 -0.105 0.000 2.432 9 V HA 0.441 4.581 4.120 0.034 0.000 0.275 9 V C 0.177 175.966 176.094 -0.509 0.000 1.043 9 V CA -0.512 61.574 62.300 -0.358 0.000 0.925 9 V CB 0.990 32.585 31.823 -0.380 0.000 0.985 9 V HN 0.753 nan 8.190 nan 0.000 0.466 10 R N 3.564 123.744 120.500 -0.534 0.000 2.500 10 R HA 0.310 4.671 4.340 0.034 0.000 0.277 10 R C -0.396 175.877 176.300 -0.045 0.000 1.026 10 R CA -0.532 55.365 56.100 -0.338 0.000 1.058 10 R CB 0.878 30.988 30.300 -0.317 0.000 1.078 10 R HN 0.691 nan 8.270 nan 0.000 0.509 11 W N 1.133 122.486 121.300 0.089 0.000 2.093 11 W HA 0.024 4.703 4.660 0.031 0.000 0.352 11 W C 0.744 177.277 176.519 0.023 0.000 1.294 11 W CA -0.275 57.135 57.345 0.109 0.000 1.290 11 W CB 0.819 30.445 29.460 0.276 0.000 1.149 11 W HN 0.559 nan 8.180 nan 0.000 0.606 12 S N 1.162 116.992 115.700 0.216 0.000 2.572 12 S HA 0.072 4.562 4.470 0.034 0.000 0.279 12 S C -1.639 173.002 174.600 0.068 0.000 1.341 12 S CA -0.927 57.322 58.200 0.083 0.000 1.043 12 S CB 1.300 64.514 63.200 0.022 0.000 0.887 12 S HN 0.161 nan 8.310 nan 0.000 0.516 13 P HA -0.136 nan 4.420 nan 0.000 0.216 13 P C 1.415 178.684 177.300 -0.052 0.000 1.150 13 P CA 1.343 64.450 63.100 0.012 0.000 0.843 13 P CB 0.045 31.750 31.700 0.009 0.000 0.787 14 E N -0.351 119.808 120.200 -0.068 0.000 2.085 14 E HA -0.221 4.149 4.350 0.034 0.000 0.194 14 E C 2.094 178.566 176.600 -0.213 0.000 0.994 14 E CA 1.096 57.428 56.400 -0.114 0.000 0.801 14 E CB -0.087 29.556 29.700 -0.095 0.000 0.743 14 E HN 0.120 nan 8.360 nan 0.000 0.453 15 R N -0.242 120.104 120.500 -0.257 0.000 2.090 15 R HA -0.042 4.318 4.340 0.034 0.000 0.228 15 R C 2.369 178.110 176.300 -0.931 0.000 1.110 15 R CA 0.902 56.653 56.100 -0.581 0.000 0.973 15 R CB -0.190 29.908 30.300 -0.337 0.000 0.869 15 R HN 0.138 nan 8.270 nan 0.000 0.440 16 A N 0.999 123.502 122.820 -0.529 0.000 1.877 16 A HA -0.250 4.090 4.320 0.034 0.000 0.216 16 A C 2.102 179.403 177.584 -0.471 0.000 1.186 16 A CA 1.336 53.011 52.037 -0.603 0.000 0.620 16 A CB -0.561 18.417 19.000 -0.037 0.000 0.822 16 A HN 0.341 nan 8.150 nan 0.000 0.443 17 Q N -1.274 118.367 119.800 -0.264 0.000 2.030 17 Q HA -0.310 4.050 4.340 0.034 0.000 0.204 17 Q C 2.074 177.946 176.000 -0.213 0.000 0.986 17 Q CA 2.303 58.003 55.803 -0.172 0.000 0.843 17 Q CB -0.321 28.356 28.738 -0.102 0.000 0.904 17 Q HN 0.866 nan 8.270 nan 0.000 0.420 18 H N -0.527 118.319 119.070 -0.373 0.000 2.319 18 H HA -0.181 4.394 4.556 0.033 0.000 0.299 18 H C 1.534 176.659 175.328 -0.338 0.000 1.092 18 H CA 2.390 58.232 56.048 -0.343 0.000 1.302 18 H CB -0.569 28.963 29.762 -0.382 0.000 1.373 18 H HN 0.422 nan 8.280 nan 0.000 0.497 19 Y N -0.069 119.894 120.300 -0.562 0.000 2.352 19 Y HA -0.127 4.445 4.550 0.037 0.000 0.292 19 Y C 2.734 178.249 175.900 -0.641 0.000 1.136 19 Y CA 0.521 58.157 58.100 -0.774 0.000 1.227 19 Y CB -0.000 37.700 38.460 -1.266 0.000 0.991 19 Y HN 0.148 nan 8.280 nan 0.000 0.545 20 R N 0.298 120.609 120.500 -0.316 0.000 2.057 20 R HA -0.122 4.238 4.340 0.034 0.000 0.229 20 R C 1.887 178.073 176.300 -0.190 0.000 1.136 20 R CA 1.258 57.280 56.100 -0.131 0.000 0.952 20 R CB -0.407 29.882 30.300 -0.018 0.000 0.848 20 R HN 0.322 nan 8.270 nan 0.000 0.430 21 N N 1.094 119.661 118.700 -0.222 0.000 2.091 21 N HA -0.190 4.570 4.740 0.034 0.000 0.193 21 N C 1.416 176.740 175.510 -0.310 0.000 1.021 21 N CA 1.302 54.222 53.050 -0.216 0.000 0.862 21 N CB -0.142 38.242 38.487 -0.173 0.000 1.018 21 N HN 0.130 nan 8.380 nan 0.000 0.429 22 K N -0.399 119.672 120.400 -0.548 0.000 2.432 22 K HA 0.052 4.392 4.320 0.034 0.000 0.196 22 K C 1.001 177.183 176.600 -0.696 0.000 1.038 22 K CA 0.681 56.493 56.287 -0.792 0.000 0.986 22 K CB -0.017 31.579 32.500 -1.506 0.000 0.782 22 K HN 0.389 nan 8.250 nan 0.000 0.485 23 G N 0.726 109.260 108.800 -0.444 0.000 2.157 23 G HA2 -0.276 3.704 3.960 0.034 0.000 0.239 23 G HA3 -0.276 3.704 3.960 0.034 0.000 0.239 23 G C 0.601 175.480 174.900 -0.036 0.000 0.982 23 G CA 0.280 45.275 45.100 -0.175 0.000 0.650 23 G HN 0.177 nan 8.290 nan 0.000 0.527 24 Y N -1.066 119.131 120.300 -0.172 0.000 2.153 24 Y HA 0.284 4.857 4.550 0.038 0.000 0.289 24 Y C 1.550 177.470 175.900 0.033 0.000 1.127 24 Y CA 0.164 58.031 58.100 -0.389 0.000 1.131 24 Y CB -0.346 37.467 38.460 -1.078 0.000 0.995 24 Y HN 0.316 nan 8.280 nan 0.000 0.505 25 W N 1.745 123.013 121.300 -0.053 0.000 2.316 25 W HA 0.381 5.059 4.660 0.031 0.000 0.308 25 W C 0.731 177.249 176.519 -0.002 0.000 1.106 25 W CA -1.620 55.715 57.345 -0.016 0.000 1.262 25 W CB 0.288 29.726 29.460 -0.037 0.000 1.233 25 W HN 0.030 nan 8.180 nan 0.000 0.447 26 I N -0.891 119.810 120.570 0.219 0.000 4.081 26 I HA 0.229 4.420 4.170 0.034 0.000 0.333 26 I C 0.052 176.224 176.117 0.092 0.000 1.413 26 I CA -0.277 61.102 61.300 0.132 0.000 1.110 26 I CB 0.138 38.208 38.000 0.116 0.000 1.082 26 I HN 0.214 nan 8.210 nan 0.000 0.402 27 D N 2.167 122.618 120.400 0.085 0.000 2.708 27 D HA -0.145 4.515 4.640 0.034 0.000 0.236 27 D C -0.343 175.956 176.300 -0.000 0.000 1.146 27 D CA 0.865 54.885 54.000 0.033 0.000 0.662 27 D CB -0.558 40.272 40.800 0.050 0.000 1.059 27 D HN 0.606 nan 8.370 nan 0.000 0.428 28 Q N -0.108 119.695 119.800 0.005 0.000 2.345 28 Q HA 0.474 4.835 4.340 0.034 0.000 0.268 28 Q C -2.250 173.724 176.000 -0.044 0.000 1.054 28 Q CA -1.583 54.211 55.803 -0.015 0.000 0.835 28 Q CB 2.198 30.953 28.738 0.029 0.000 1.339 28 Q HN 0.055 nan 8.270 nan 0.000 0.447 29 P HA 0.128 nan 4.420 nan 0.000 0.274 29 P C 0.694 178.068 177.300 0.124 0.000 1.231 29 P CA -0.246 62.720 63.100 -0.225 0.000 0.790 29 P CB 0.970 32.486 31.700 -0.306 0.000 0.951 30 L N 1.061 122.519 121.223 0.391 0.000 2.189 30 L HA -0.218 4.142 4.340 0.034 0.000 0.214 30 L C 2.570 179.638 176.870 0.330 0.000 1.097 30 L CA 2.366 57.395 54.840 0.315 0.000 0.764 30 L CB -1.344 40.866 42.059 0.251 0.000 0.900 30 L HN 0.537 nan 8.230 nan 0.000 0.436 31 T N -2.469 112.247 114.554 0.270 0.000 2.869 31 T HA -0.312 4.058 4.350 0.034 0.000 0.270 31 T C 1.938 176.705 174.700 0.111 0.000 1.082 31 T CA 1.277 63.513 62.100 0.227 0.000 1.123 31 T CB -0.453 68.491 68.868 0.127 0.000 0.856 31 T HN 0.357 nan 8.240 nan 0.000 0.499 32 R N 0.972 121.539 120.500 0.112 0.000 2.134 32 R HA -0.139 4.221 4.340 0.034 0.000 0.248 32 R C 2.383 178.734 176.300 0.086 0.000 1.143 32 R CA 2.202 58.350 56.100 0.081 0.000 0.957 32 R CB -0.700 29.657 30.300 0.096 0.000 0.867 32 R HN 0.560 nan 8.270 nan 0.000 0.441 33 I N 0.682 121.348 120.570 0.160 0.000 2.185 33 I HA -0.352 3.839 4.170 0.034 0.000 0.246 33 I C 2.376 178.525 176.117 0.054 0.000 1.088 33 I CA 1.122 62.528 61.300 0.176 0.000 1.347 33 I CB -0.332 37.843 38.000 0.291 0.000 1.041 33 I HN 0.272 nan 8.210 nan 0.000 0.415 34 L N 0.222 121.391 121.223 -0.090 0.000 2.034 34 L HA -0.122 4.238 4.340 0.034 0.000 0.203 34 L C 2.605 179.422 176.870 -0.089 0.000 1.074 34 L CA 2.127 56.856 54.840 -0.185 0.000 0.748 34 L CB -1.053 40.712 42.059 -0.491 0.000 0.905 34 L HN 0.193 nan 8.230 nan 0.000 0.439 35 T N -0.948 113.561 114.554 -0.074 0.000 2.565 35 T HA -0.281 4.089 4.350 0.034 0.000 0.265 35 T C 1.947 176.589 174.700 -0.097 0.000 1.082 35 T CA 2.146 64.206 62.100 -0.066 0.000 1.173 35 T CB -0.920 67.924 68.868 -0.041 0.000 0.864 35 T HN 0.161 nan 8.240 nan 0.000 0.425 36 V N 1.466 121.327 119.914 -0.088 0.000 2.317 36 V HA -0.215 3.925 4.120 0.034 0.000 0.251 36 V C 2.811 178.737 176.094 -0.281 0.000 1.065 36 V CA 2.147 64.362 62.300 -0.143 0.000 1.049 36 V CB -1.421 30.343 31.823 -0.098 0.000 0.651 36 V HN 0.709 nan 8.190 nan 0.000 0.450 37 G N -0.648 107.993 108.800 -0.265 0.000 2.421 37 G HA2 -0.200 3.781 3.960 0.034 0.000 0.216 37 G HA3 -0.200 3.781 3.960 0.034 0.000 0.216 37 G C 1.656 176.252 174.900 -0.507 0.000 1.171 37 G CA 1.106 45.900 45.100 -0.511 0.000 0.775 37 G HN 0.396 nan 8.290 nan 0.000 0.543 38 V N 0.569 120.358 119.914 -0.208 0.000 2.392 38 V HA -0.293 3.847 4.120 0.034 0.000 0.249 38 V C 2.863 178.826 176.094 -0.220 0.000 1.059 38 V CA 2.323 64.525 62.300 -0.163 0.000 1.051 38 V CB -0.695 31.072 31.823 -0.093 0.000 0.658 38 V HN 0.408 nan 8.190 nan 0.000 0.455 39 Q N -0.257 119.406 119.800 -0.230 0.000 2.084 39 Q HA -0.162 4.198 4.340 0.034 0.000 0.202 39 Q C 2.452 178.297 176.000 -0.259 0.000 0.978 39 Q CA 2.136 57.815 55.803 -0.205 0.000 0.844 39 Q CB -0.151 28.487 28.738 -0.168 0.000 0.898 39 Q HN 0.654 nan 8.270 nan 0.000 0.426 40 S N -0.520 114.915 115.700 -0.442 0.000 2.441 40 S HA -0.030 4.461 4.470 0.034 0.000 0.224 40 S C 0.044 174.411 174.600 -0.389 0.000 1.043 40 S CA 0.649 58.570 58.200 -0.466 0.000 0.948 40 S CB 0.181 63.037 63.200 -0.574 0.000 0.810 40 S HN 0.568 nan 8.310 nan 0.000 0.504 41 H N -2.007 116.931 119.070 -0.221 0.000 2.946 41 H HA 0.341 4.917 4.556 0.034 0.000 0.217 41 H C -2.731 172.475 175.328 -0.202 0.000 1.393 41 H CA -1.561 54.365 56.048 -0.204 0.000 1.306 41 H CB -0.696 28.908 29.762 -0.263 0.000 2.062 41 H HN 0.013 nan 8.280 nan 0.000 0.520 42 P HA -0.198 nan 4.420 nan 0.000 0.218 42 P C 0.411 177.571 177.300 -0.233 0.000 1.148 42 P CA 1.574 64.529 63.100 -0.243 0.000 0.822 42 P CB 0.267 31.704 31.700 -0.439 0.000 0.784 43 H N -1.849 117.281 119.070 0.100 0.000 2.575 43 H HA 0.229 4.806 4.556 0.034 0.000 0.267 43 H C 0.732 176.130 175.328 0.117 0.000 0.966 43 H CA -0.243 55.863 56.048 0.097 0.000 1.165 43 H CB -0.091 29.704 29.762 0.054 0.000 1.433 43 H HN 0.015 nan 8.280 nan 0.000 0.544 44 S N 1.219 117.046 115.700 0.211 0.000 2.558 44 S HA -0.003 4.488 4.470 0.034 0.000 0.287 44 S C 0.334 175.096 174.600 0.269 0.000 1.321 44 S CA -0.246 58.061 58.200 0.179 0.000 1.048 44 S CB 0.411 63.636 63.200 0.042 0.000 0.844 44 S HN 0.264 nan 8.310 nan 0.000 0.512 45 L N 2.442 123.752 121.223 0.145 0.000 2.462 45 L HA 0.158 4.519 4.340 0.034 0.000 0.272 45 L C 1.164 178.017 176.870 -0.028 0.000 1.166 45 L CA -0.274 54.599 54.840 0.054 0.000 0.880 45 L CB 0.444 42.511 42.059 0.013 0.000 1.142 45 L HN 0.902 nan 8.230 nan 0.000 0.473 46 A N 5.486 128.143 122.820 -0.272 0.000 1.909 46 A HA 0.401 4.741 4.320 0.034 0.000 0.209 46 A C 0.720 178.093 177.584 -0.351 0.000 1.247 46 A CA 0.557 52.207 52.037 -0.645 0.000 0.660 46 A CB 0.310 18.631 19.000 -1.132 0.000 0.910 46 A HN 0.570 nan 8.150 nan 0.000 0.465 47 I N -0.016 120.414 120.570 -0.233 0.000 2.647 47 I HA 0.465 4.655 4.170 0.034 0.000 0.295 47 I C -1.408 174.644 176.117 -0.109 0.000 1.078 47 I CA -0.389 60.818 61.300 -0.155 0.000 1.048 47 I CB 2.291 40.241 38.000 -0.083 0.000 1.239 47 I HN 0.081 nan 8.210 nan 0.000 0.421 48 I N 5.105 125.600 120.570 -0.124 0.000 2.499 48 I HA 0.361 4.551 4.170 0.034 0.000 0.288 48 I C -1.149 174.881 176.117 -0.146 0.000 1.048 48 I CA -0.493 60.705 61.300 -0.169 0.000 1.062 48 I CB 2.165 39.973 38.000 -0.320 0.000 1.238 48 I HN 0.584 nan 8.210 nan 0.000 0.426 49 C N 6.585 125.833 119.300 -0.087 0.000 2.919 49 C HA 0.692 5.172 4.460 0.034 0.000 0.337 49 C C 0.904 175.895 174.990 0.001 0.000 1.039 49 C CA 0.552 59.551 59.018 -0.031 0.000 1.373 49 C CB -0.797 26.949 27.740 0.010 0.000 1.843 49 C HN 1.161 nan 8.230 nan 0.000 0.493 50 G N 5.287 114.104 108.800 0.029 0.000 2.602 50 G HA2 -0.264 3.717 3.960 0.034 0.000 0.310 50 G HA3 -0.264 3.717 3.960 0.034 0.000 0.310 50 G C 0.768 175.731 174.900 0.106 0.000 1.183 50 G CA 0.817 45.967 45.100 0.083 0.000 0.979 50 G HN 0.659 nan 8.290 nan 0.000 0.545 51 E N 1.816 122.060 120.200 0.073 0.000 2.371 51 E HA 0.063 4.433 4.350 0.034 0.000 0.194 51 E C 1.668 178.300 176.600 0.053 0.000 1.012 51 E CA 0.507 56.950 56.400 0.070 0.000 0.860 51 E CB -0.010 29.720 29.700 0.050 0.000 0.811 51 E HN 0.571 nan 8.360 nan 0.000 0.502 52 R N 0.926 121.447 120.500 0.036 0.000 2.441 52 R HA 0.295 4.655 4.340 0.034 0.000 0.284 52 R C 0.230 176.533 176.300 0.005 0.000 1.070 52 R CA 0.188 56.302 56.100 0.024 0.000 1.047 52 R CB 0.682 30.996 30.300 0.024 0.000 1.016 52 R HN -0.052 nan 8.270 nan 0.000 0.477 53 Q N 2.698 122.503 119.800 0.009 0.000 2.274 53 Q HA 0.399 4.759 4.340 0.034 0.000 0.268 53 Q C -1.256 174.744 176.000 -0.001 0.000 1.015 53 Q CA -0.501 55.298 55.803 -0.006 0.000 0.775 53 Q CB 2.327 31.070 28.738 0.009 0.000 1.256 53 Q HN 0.362 nan 8.270 nan 0.000 0.442 54 L N 1.989 123.199 121.223 -0.022 0.000 2.349 54 L HA 0.506 4.867 4.340 0.034 0.000 0.278 54 L C 0.274 177.113 176.870 -0.052 0.000 0.996 54 L CA -0.761 54.065 54.840 -0.023 0.000 0.825 54 L CB 1.787 43.832 42.059 -0.024 0.000 1.243 54 L HN 0.648 nan 8.230 nan 0.000 0.412 55 S N 1.067 116.765 115.700 -0.004 0.000 2.645 55 S HA 0.259 4.749 4.470 0.034 0.000 0.266 55 S C 1.027 175.622 174.600 -0.008 0.000 1.258 55 S CA -0.378 57.842 58.200 0.034 0.000 0.990 55 S CB 0.738 64.005 63.200 0.112 0.000 0.967 55 S HN 0.466 nan 8.310 nan 0.000 0.556 56 Y N 0.395 120.686 120.300 -0.016 0.000 2.151 56 Y HA -0.134 4.435 4.550 0.032 0.000 0.284 56 Y C 2.230 178.086 175.900 -0.073 0.000 1.166 56 Y CA 1.786 59.864 58.100 -0.036 0.000 1.163 56 Y CB -0.435 38.035 38.460 0.017 0.000 0.974 56 Y HN 0.673 nan 8.280 nan 0.000 0.511 57 I N 0.250 120.855 120.570 0.059 0.000 2.252 57 I HA -0.292 3.898 4.170 0.034 0.000 0.245 57 I C 2.125 178.240 176.117 -0.003 0.000 1.102 57 I CA 1.637 62.925 61.300 -0.019 0.000 1.385 57 I CB -0.204 37.729 38.000 -0.112 0.000 1.064 57 I HN 0.393 nan 8.210 nan 0.000 0.414 58 E N 0.465 120.673 120.200 0.012 0.000 2.106 58 E HA -0.278 4.092 4.350 0.034 0.000 0.192 58 E C 2.202 178.803 176.600 0.003 0.000 0.984 58 E CA 1.075 57.485 56.400 0.016 0.000 0.806 58 E CB -0.601 29.116 29.700 0.028 0.000 0.750 58 E HN 0.386 nan 8.360 nan 0.000 0.458 59 L N 2.380 123.590 121.223 -0.021 0.000 2.043 59 L HA -0.223 4.137 4.340 0.034 0.000 0.212 59 L C 1.974 178.825 176.870 -0.033 0.000 1.075 59 L CA 2.363 57.183 54.840 -0.034 0.000 0.752 59 L CB -0.594 41.398 42.059 -0.111 0.000 0.891 59 L HN 0.056 nan 8.230 nan 0.000 0.432 60 D N -1.293 119.079 120.400 -0.045 0.000 2.084 60 D HA -0.188 4.472 4.640 0.034 0.000 0.196 60 D C 2.410 178.706 176.300 -0.006 0.000 0.985 60 D CA 1.254 55.228 54.000 -0.043 0.000 0.826 60 D CB 0.052 40.826 40.800 -0.044 0.000 0.978 60 D HN 0.103 nan 8.370 nan 0.000 0.456 61 R N -0.404 120.097 120.500 0.002 0.000 2.112 61 R HA -0.109 4.252 4.340 0.034 0.000 0.242 61 R C 2.657 178.968 176.300 0.019 0.000 1.137 61 R CA 1.647 57.756 56.100 0.015 0.000 0.944 61 R CB -1.314 28.996 30.300 0.017 0.000 0.857 61 R HN 0.435 nan 8.270 nan 0.000 0.435 62 L N 0.643 121.878 121.223 0.020 0.000 2.046 62 L HA -0.150 4.211 4.340 0.034 0.000 0.208 62 L C 2.798 179.683 176.870 0.025 0.000 1.077 62 L CA 2.025 56.880 54.840 0.025 0.000 0.747 62 L CB -0.585 41.494 42.059 0.033 0.000 0.896 62 L HN 0.478 nan 8.230 nan 0.000 0.432 63 S N -1.619 114.100 115.700 0.032 0.000 2.368 63 S HA -0.164 4.326 4.470 0.034 0.000 0.224 63 S C 1.974 176.574 174.600 0.001 0.000 1.029 63 S CA 1.434 59.655 58.200 0.036 0.000 0.988 63 S CB -0.881 62.374 63.200 0.093 0.000 0.838 63 S HN 0.318 nan 8.310 nan 0.000 0.462 64 T N 3.404 117.970 114.554 0.019 0.000 2.624 64 T HA -0.156 4.215 4.350 0.034 0.000 0.268 64 T C 1.775 176.467 174.700 -0.014 0.000 1.041 64 T CA 1.852 63.971 62.100 0.031 0.000 1.159 64 T CB -0.811 68.107 68.868 0.085 0.000 0.863 64 T HN 0.424 nan 8.240 nan 0.000 0.434 65 N N 1.250 119.949 118.700 -0.001 0.000 2.037 65 N HA -0.099 4.661 4.740 0.034 0.000 0.196 65 N C 1.735 177.214 175.510 -0.052 0.000 1.034 65 N CA 0.925 53.965 53.050 -0.017 0.000 0.861 65 N CB -0.949 37.535 38.487 -0.006 0.000 1.039 65 N HN 0.207 nan 8.380 nan 0.000 0.427 66 L N 1.024 122.227 121.223 -0.032 0.000 1.990 66 L HA -0.136 4.225 4.340 0.034 0.000 0.213 66 L C 2.099 178.901 176.870 -0.113 0.000 1.072 66 L CA 2.013 56.840 54.840 -0.022 0.000 0.755 66 L CB -1.184 40.875 42.059 0.000 0.000 0.889 66 L HN 0.205 nan 8.230 nan 0.000 0.432 67 A N -1.559 121.130 122.820 -0.219 0.000 1.908 67 A HA -0.250 4.090 4.320 0.034 0.000 0.218 67 A C 2.232 179.441 177.584 -0.626 0.000 1.181 67 A CA 2.521 54.272 52.037 -0.477 0.000 0.627 67 A CB -1.349 17.246 19.000 -0.675 0.000 0.818 67 A HN 0.580 nan 8.150 nan 0.000 0.445 68 T N 0.144 114.443 114.554 -0.426 0.000 2.699 68 T HA -0.210 4.161 4.350 0.034 0.000 0.268 68 T C 1.942 176.530 174.700 -0.187 0.000 1.036 68 T CA 1.736 63.713 62.100 -0.206 0.000 1.147 68 T CB -0.328 68.542 68.868 0.004 0.000 0.862 68 T HN 0.620 nan 8.240 nan 0.000 0.446 69 R N 0.792 121.177 120.500 -0.192 0.000 2.115 69 R HA 0.118 4.478 4.340 0.034 0.000 0.230 69 R C 2.428 178.649 176.300 -0.133 0.000 1.111 69 R CA 0.882 56.833 56.100 -0.249 0.000 0.976 69 R CB -0.558 29.495 30.300 -0.412 0.000 0.870 69 R HN 0.371 nan 8.270 nan 0.000 0.445 70 L N 0.175 121.356 121.223 -0.069 0.000 2.217 70 L HA -0.016 4.344 4.340 0.034 0.000 0.211 70 L C 2.585 179.406 176.870 -0.082 0.000 1.107 70 L CA 0.822 55.646 54.840 -0.028 0.000 0.783 70 L CB -0.501 41.513 42.059 -0.075 0.000 0.919 70 L HN 0.218 nan 8.230 nan 0.000 0.442 71 A N -0.059 122.668 122.820 -0.155 0.000 1.929 71 A HA -0.203 4.138 4.320 0.034 0.000 0.216 71 A C 2.266 179.811 177.584 -0.065 0.000 1.176 71 A CA 1.333 53.314 52.037 -0.093 0.000 0.628 71 A CB -0.364 18.612 19.000 -0.040 0.000 0.816 71 A HN 0.414 nan 8.150 nan 0.000 0.444 72 E N 0.109 120.256 120.200 -0.089 0.000 2.110 72 E HA -0.175 4.196 4.350 0.034 0.000 0.193 72 E C 0.848 177.410 176.600 -0.064 0.000 0.988 72 E CA 1.037 57.385 56.400 -0.086 0.000 0.804 72 E CB 0.017 29.641 29.700 -0.127 0.000 0.745 72 E HN 0.336 nan 8.360 nan 0.000 0.458 73 K N -0.355 120.017 120.400 -0.048 0.000 2.504 73 K HA 0.078 4.418 4.320 0.034 0.000 0.199 73 K C 0.627 177.232 176.600 0.007 0.000 1.028 73 K CA 0.651 56.936 56.287 -0.003 0.000 1.164 73 K CB 0.573 33.104 32.500 0.053 0.000 0.877 73 K HN 0.294 nan 8.250 nan 0.000 0.508 74 G N 1.837 110.631 108.800 -0.010 0.000 2.221 74 G HA2 -0.260 3.720 3.960 0.034 0.000 0.265 74 G HA3 -0.260 3.720 3.960 0.034 0.000 0.265 74 G C -0.117 174.783 174.900 0.001 0.000 1.041 74 G CA -0.026 45.071 45.100 -0.004 0.000 0.807 74 G HN 0.283 nan 8.290 nan 0.000 0.502 75 L N 0.071 121.290 121.223 -0.006 0.000 2.272 75 L HA 0.735 5.095 4.340 0.034 0.000 0.289 75 L C 0.984 177.843 176.870 -0.020 0.000 1.032 75 L CA 0.133 54.968 54.840 -0.009 0.000 0.810 75 L CB 1.410 43.462 42.059 -0.011 0.000 1.205 75 L HN 0.407 nan 8.230 nan 0.000 0.422 76 G N 2.444 111.240 108.800 -0.007 0.000 2.588 76 G HA2 0.218 4.198 3.960 0.034 0.000 0.281 76 G HA3 0.218 4.198 3.960 0.034 0.000 0.281 76 G C -1.380 173.525 174.900 0.007 0.000 1.223 76 G CA -0.878 44.222 45.100 0.000 0.000 0.871 76 G HN 0.370 nan 8.290 nan 0.000 0.492 77 K N 0.572 120.983 120.400 0.017 0.000 2.491 77 K HA 0.343 4.683 4.320 0.034 0.000 0.279 77 K C 1.125 177.739 176.600 0.023 0.000 1.026 77 K CA 1.408 57.706 56.287 0.019 0.000 1.070 77 K CB 0.510 33.026 32.500 0.025 0.000 0.887 77 K HN 1.610 nan 8.250 nan 0.000 0.481 78 G N 2.628 111.444 108.800 0.025 0.000 2.238 78 G HA2 -0.178 3.803 3.960 0.034 0.000 0.217 78 G HA3 -0.178 3.803 3.960 0.034 0.000 0.217 78 G C -0.334 174.590 174.900 0.041 0.000 0.996 78 G CA -0.304 44.821 45.100 0.041 0.000 0.632 78 G HN 0.632 nan 8.290 nan 0.000 0.503 79 D N 1.270 121.684 120.400 0.024 0.000 2.229 79 D HA 0.618 5.278 4.640 0.034 0.000 0.249 79 D C 0.604 176.913 176.300 0.016 0.000 1.027 79 D CA 0.778 54.792 54.000 0.025 0.000 0.923 79 D CB 1.653 42.462 40.800 0.014 0.000 1.174 79 D HN 0.468 nan 8.370 nan 0.000 0.443 80 T N -2.528 112.046 114.554 0.033 0.000 2.908 80 T HA 0.805 5.175 4.350 0.034 0.000 0.290 80 T C -0.678 174.041 174.700 0.032 0.000 1.034 80 T CA -0.931 61.194 62.100 0.041 0.000 1.010 80 T CB 1.929 70.854 68.868 0.095 0.000 1.068 80 T HN 0.385 nan 8.240 nan 0.000 0.481 81 A N 1.791 124.626 122.820 0.025 0.000 2.401 81 A HA 0.816 5.156 4.320 0.034 0.000 0.310 81 A C -1.272 176.334 177.584 0.036 0.000 1.075 81 A CA -0.916 51.129 52.037 0.014 0.000 0.746 81 A CB 1.588 20.574 19.000 -0.023 0.000 1.277 81 A HN 0.954 nan 8.150 nan 0.000 0.425 82 L N 2.304 123.554 121.223 0.044 0.000 2.313 82 L HA 0.721 5.081 4.340 0.034 0.000 0.283 82 L C -1.117 175.786 176.870 0.054 0.000 1.013 82 L CA -0.269 54.609 54.840 0.065 0.000 0.816 82 L CB 1.687 43.820 42.059 0.123 0.000 1.236 82 L HN 0.430 nan 8.230 nan 0.000 0.419 83 V N 5.079 125.023 119.914 0.050 0.000 2.540 83 V HA 0.517 4.657 4.120 0.034 0.000 0.302 83 V C -0.605 175.557 176.094 0.113 0.000 1.035 83 V CA -0.540 61.785 62.300 0.042 0.000 0.873 83 V CB 1.710 33.520 31.823 -0.023 0.000 0.992 83 V HN 0.824 nan 8.190 nan 0.000 0.428 84 Q N 5.097 124.977 119.800 0.133 0.000 2.397 84 Q HA 0.668 5.029 4.340 0.034 0.000 0.260 84 Q C -2.063 174.067 176.000 0.218 0.000 1.002 84 Q CA -0.354 55.564 55.803 0.190 0.000 0.716 84 Q CB 1.388 30.225 28.738 0.165 0.000 1.258 84 Q HN 0.736 nan 8.270 nan 0.000 0.477 85 L N 5.004 126.366 121.223 0.232 0.000 2.370 85 L HA 0.707 5.067 4.340 0.034 0.000 0.266 85 L C -2.149 174.724 176.870 0.005 0.000 1.002 85 L CA -2.158 52.774 54.840 0.154 0.000 0.818 85 L CB 2.271 44.428 42.059 0.163 0.000 1.325 85 L HN 0.598 nan 8.230 nan 0.000 0.418 86 P HA 0.102 nan 4.420 nan 0.000 0.289 86 P C -0.856 176.258 177.300 -0.309 0.000 1.299 86 P CA -0.552 62.183 63.100 -0.607 0.000 0.766 86 P CB 0.560 31.713 31.700 -0.911 0.000 1.226 87 N N -0.399 118.131 118.700 -0.284 0.000 2.971 87 N HA 0.197 4.958 4.740 0.034 0.000 0.294 87 N C -0.302 175.138 175.510 -0.117 0.000 1.210 87 N CA 0.021 52.943 53.050 -0.214 0.000 1.157 87 N CB -1.068 37.321 38.487 -0.163 0.000 1.450 87 N HN 0.192 nan 8.380 nan 0.000 0.527 88 V N -2.603 117.262 119.914 -0.081 0.000 3.001 88 V HA 0.743 4.883 4.120 0.034 0.000 0.314 88 V C 1.289 177.423 176.094 0.065 0.000 1.099 88 V CA -0.952 61.343 62.300 -0.008 0.000 0.989 88 V CB 1.374 33.185 31.823 -0.020 0.000 1.040 88 V HN 0.135 nan 8.190 nan 0.000 0.434 89 A N 0.450 123.333 122.820 0.105 0.000 1.971 89 A HA -0.222 4.119 4.320 0.034 0.000 0.222 89 A C 1.688 179.370 177.584 0.163 0.000 1.182 89 A CA 2.618 54.763 52.037 0.179 0.000 0.649 89 A CB -0.928 18.142 19.000 0.117 0.000 0.818 89 A HN 1.077 nan 8.150 nan 0.000 0.458 90 E N -1.375 118.878 120.200 0.087 0.000 2.333 90 E HA -0.094 4.276 4.350 0.034 0.000 0.198 90 E C 1.403 178.011 176.600 0.012 0.000 1.007 90 E CA 0.765 57.197 56.400 0.053 0.000 0.845 90 E CB -0.449 29.268 29.700 0.028 0.000 0.766 90 E HN 0.741 nan 8.360 nan 0.000 0.507 91 F N -0.138 119.704 119.950 -0.180 0.000 2.069 91 F HA -0.301 4.248 4.527 0.037 0.000 0.298 91 F C 1.503 177.103 175.800 -0.334 0.000 1.113 91 F CA 1.610 59.404 58.000 -0.343 0.000 1.214 91 F CB -0.267 38.383 39.000 -0.583 0.000 0.978 91 F HN 0.046 nan 8.300 nan 0.000 0.474 92 Y N 0.362 120.770 120.300 0.180 0.000 2.133 92 Y HA -0.187 4.381 4.550 0.031 0.000 0.287 92 Y C 2.470 178.472 175.900 0.170 0.000 1.134 92 Y CA 1.608 59.817 58.100 0.183 0.000 1.133 92 Y CB -1.148 37.488 38.460 0.293 0.000 0.987 92 Y HN 0.041 nan 8.280 nan 0.000 0.502 93 I N -0.595 120.128 120.570 0.255 0.000 2.091 93 I HA -0.392 3.798 4.170 0.034 0.000 0.240 93 I C 2.246 178.396 176.117 0.054 0.000 1.046 93 I CA 1.830 63.222 61.300 0.154 0.000 1.306 93 I CB -0.898 37.156 38.000 0.091 0.000 1.018 93 I HN 0.052 nan 8.210 nan 0.000 0.404 94 V N 0.459 120.341 119.914 -0.053 0.000 2.255 94 V HA -0.326 3.814 4.120 0.034 0.000 0.247 94 V C 2.262 178.248 176.094 -0.180 0.000 1.051 94 V CA 2.212 64.435 62.300 -0.130 0.000 1.018 94 V CB -0.802 30.910 31.823 -0.185 0.000 0.641 94 V HN 0.349 nan 8.190 nan 0.000 0.445 95 F N 0.618 120.275 119.950 -0.488 0.000 2.091 95 F HA -0.225 4.324 4.527 0.037 0.000 0.299 95 F C 2.069 177.597 175.800 -0.453 0.000 1.103 95 F CA 1.672 59.311 58.000 -0.602 0.000 1.228 95 F CB -0.645 37.825 39.000 -0.883 0.000 0.984 95 F HN 0.143 nan 8.300 nan 0.000 0.477 96 F N -0.029 119.775 119.950 -0.244 0.000 2.269 96 F HA -0.113 4.434 4.527 0.033 0.000 0.301 96 F C 2.484 178.153 175.800 -0.220 0.000 1.082 96 F CA 0.860 58.709 58.000 -0.253 0.000 1.360 96 F CB -1.007 37.947 39.000 -0.076 0.000 1.041 96 F HN 0.074 nan 8.300 nan 0.000 0.512 97 A N 0.278 123.070 122.820 -0.047 0.000 1.898 97 A HA -0.113 4.227 4.320 0.034 0.000 0.216 97 A C 2.207 179.688 177.584 -0.171 0.000 1.181 97 A CA 1.205 53.182 52.037 -0.099 0.000 0.620 97 A CB -0.930 18.013 19.000 -0.095 0.000 0.819 97 A HN 0.374 nan 8.150 nan 0.000 0.442 98 L N -0.754 120.339 121.223 -0.216 0.000 2.046 98 L HA -0.165 4.195 4.340 0.034 0.000 0.208 98 L C 2.507 179.241 176.870 -0.227 0.000 1.077 98 L CA 1.079 55.783 54.840 -0.226 0.000 0.747 98 L CB -0.516 41.398 42.059 -0.241 0.000 0.896 98 L HN 0.381 nan 8.230 nan 0.000 0.432 99 L N -0.658 120.381 121.223 -0.308 0.000 2.109 99 L HA -0.164 4.196 4.340 0.034 0.000 0.207 99 L C 2.561 179.410 176.870 -0.035 0.000 1.086 99 L CA 1.085 55.803 54.840 -0.203 0.000 0.760 99 L CB -0.401 41.471 42.059 -0.311 0.000 0.910 99 L HN 0.159 nan 8.230 nan 0.000 0.437 100 K N 0.206 120.592 120.400 -0.024 0.000 2.097 100 K HA -0.076 4.264 4.320 0.034 0.000 0.205 100 K C 1.990 178.661 176.600 0.118 0.000 1.050 100 K CA 1.309 57.644 56.287 0.080 0.000 0.938 100 K CB -0.117 32.433 32.500 0.083 0.000 0.718 100 K HN 0.273 nan 8.250 nan 0.000 0.442 101 A N 0.164 122.940 122.820 -0.073 0.000 2.218 101 A HA 0.190 4.530 4.320 0.034 0.000 0.209 101 A C 1.233 178.823 177.584 0.009 0.000 1.168 101 A CA 0.755 52.722 52.037 -0.117 0.000 0.804 101 A CB -0.105 18.724 19.000 -0.285 0.000 0.834 101 A HN 0.387 nan 8.150 nan 0.000 0.482 102 G N -1.052 107.754 108.800 0.011 0.000 2.160 102 G HA2 -0.167 3.814 3.960 0.034 0.000 0.244 102 G HA3 -0.167 3.814 3.960 0.034 0.000 0.244 102 G C -0.001 174.883 174.900 -0.027 0.000 1.022 102 G CA 0.218 45.326 45.100 0.014 0.000 0.741 102 G HN 0.787 nan 8.290 nan 0.000 0.508 103 V N 0.589 120.464 119.914 -0.066 0.000 2.394 103 V HA 0.473 4.613 4.120 0.034 0.000 0.282 103 V C 0.881 176.917 176.094 -0.097 0.000 1.031 103 V CA -0.789 61.468 62.300 -0.071 0.000 0.881 103 V CB 1.846 33.624 31.823 -0.074 0.000 0.982 103 V HN 0.206 nan 8.190 nan 0.000 0.451 104 V N 6.335 126.190 119.914 -0.098 0.000 2.427 104 V HA 0.225 4.365 4.120 0.034 0.000 0.268 104 V C 0.142 176.182 176.094 -0.091 0.000 1.046 104 V CA 0.080 62.281 62.300 -0.164 0.000 0.970 104 V CB 1.530 33.186 31.823 -0.279 0.000 1.001 104 V HN 0.613 nan 8.190 nan 0.000 0.476 105 V N 7.918 127.803 119.914 -0.048 0.000 2.459 105 V HA 0.589 4.729 4.120 0.034 0.000 0.295 105 V C -0.633 175.566 176.094 0.175 0.000 1.029 105 V CA -0.757 61.574 62.300 0.052 0.000 0.874 105 V CB 1.787 33.620 31.823 0.017 0.000 0.985 105 V HN 0.717 nan 8.190 nan 0.000 0.438 106 L N 7.316 128.637 121.223 0.163 0.000 2.272 106 L HA 0.605 4.965 4.340 0.034 0.000 0.289 106 L C -0.300 176.593 176.870 0.038 0.000 1.032 106 L CA -0.077 54.831 54.840 0.112 0.000 0.810 106 L CB 1.298 43.318 42.059 -0.065 0.000 1.205 106 L HN 0.641 nan 8.230 nan 0.000 0.422 107 N N 4.961 123.710 118.700 0.081 0.000 2.420 107 N HA 0.441 5.201 4.740 0.034 0.000 0.249 107 N C -0.251 175.302 175.510 0.071 0.000 1.033 107 N CA -0.151 52.961 53.050 0.103 0.000 0.944 107 N CB 1.616 40.224 38.487 0.200 0.000 1.113 107 N HN 0.818 nan 8.380 nan 0.000 0.502 108 A N 2.802 125.688 122.820 0.111 0.000 2.351 108 A HA 0.381 4.721 4.320 0.034 0.000 0.257 108 A C 0.582 178.297 177.584 0.219 0.000 1.087 108 A CA -0.487 51.706 52.037 0.260 0.000 0.798 108 A CB 0.326 19.563 19.000 0.396 0.000 1.033 108 A HN 0.676 nan 8.150 nan 0.000 0.488 109 L N 1.196 122.499 121.223 0.134 0.000 2.426 109 L HA 0.017 4.377 4.340 0.034 0.000 0.271 109 L C 1.198 178.092 176.870 0.040 0.000 1.169 109 L CA -0.074 54.699 54.840 -0.113 0.000 0.836 109 L CB 0.194 41.930 42.059 -0.538 0.000 1.112 109 L HN 0.938 nan 8.230 nan 0.000 0.465 110 Y N 1.761 122.044 120.300 -0.029 0.000 2.256 110 Y HA -0.280 4.290 4.550 0.032 0.000 0.288 110 Y C 2.609 178.606 175.900 0.162 0.000 1.155 110 Y CA 1.763 59.908 58.100 0.076 0.000 1.203 110 Y CB 0.012 38.514 38.460 0.069 0.000 0.980 110 Y HN 0.768 nan 8.280 nan 0.000 0.530 111 S N -1.522 114.205 115.700 0.045 0.000 2.607 111 S HA -0.048 4.442 4.470 0.034 0.000 0.224 111 S C 0.390 175.022 174.600 0.053 0.000 0.969 111 S CA -0.079 58.119 58.200 -0.002 0.000 0.927 111 S CB -0.950 62.237 63.200 -0.022 0.000 0.772 111 S HN 0.524 nan 8.310 nan 0.000 0.533 112 H N 1.314 120.428 119.070 0.073 0.000 2.615 112 H HA 0.462 5.039 4.556 0.034 0.000 0.363 112 H C 0.733 176.055 175.328 -0.010 0.000 1.148 112 H CA -0.870 55.197 56.048 0.032 0.000 1.401 112 H CB 0.603 30.414 29.762 0.082 0.000 1.461 112 H HN 0.157 nan 8.280 nan 0.000 0.588 113 R N 0.854 121.381 120.500 0.044 0.000 3.084 113 R HA 0.070 4.430 4.340 0.034 0.000 0.234 113 R C 1.242 177.384 176.300 -0.262 0.000 1.433 113 R CA -0.817 55.235 56.100 -0.080 0.000 1.053 113 R CB 0.264 30.528 30.300 -0.060 0.000 1.449 113 R HN 0.716 nan 8.270 nan 0.000 0.505 114 Q N 0.520 120.102 119.800 -0.364 0.000 2.152 114 Q HA -0.237 4.123 4.340 0.034 0.000 0.206 114 Q C 1.750 177.568 176.000 -0.304 0.000 0.985 114 Q CA 1.938 57.386 55.803 -0.591 0.000 0.863 114 Q CB -0.736 27.725 28.738 -0.461 0.000 0.904 114 Q HN 0.694 nan 8.270 nan 0.000 0.422 115 Y N 2.333 122.472 120.300 -0.269 0.000 2.181 115 Y HA -0.171 4.399 4.550 0.033 0.000 0.288 115 Y C 1.764 177.475 175.900 -0.316 0.000 1.146 115 Y CA 2.031 60.000 58.100 -0.218 0.000 1.164 115 Y CB -0.059 38.297 38.460 -0.172 0.000 0.982 115 Y HN 0.101 nan 8.280 nan 0.000 0.515 116 E N 0.412 120.195 120.200 -0.695 0.000 2.051 116 E HA -0.088 4.283 4.350 0.034 0.000 0.189 116 E C 2.283 178.194 176.600 -1.147 0.000 0.979 116 E CA 1.347 57.064 56.400 -1.139 0.000 0.803 116 E CB -0.492 28.518 29.700 -1.150 0.000 0.761 116 E HN 0.445 nan 8.360 nan 0.000 0.451 117 L N 1.293 122.153 121.223 -0.604 0.000 2.051 117 L HA -0.269 4.091 4.340 0.034 0.000 0.214 117 L C 2.183 179.033 176.870 -0.032 0.000 1.076 117 L CA 1.026 55.749 54.840 -0.196 0.000 0.758 117 L CB -0.639 41.302 42.059 -0.196 0.000 0.890 117 L HN 0.244 nan 8.230 nan 0.000 0.433 118 N N 0.083 118.744 118.700 -0.066 0.000 2.084 118 N HA -0.162 4.599 4.740 0.034 0.000 0.190 118 N C 1.887 177.358 175.510 -0.065 0.000 1.030 118 N CA 1.635 54.733 53.050 0.080 0.000 0.849 118 N CB -0.090 38.453 38.487 0.093 0.000 1.012 118 N HN 0.346 nan 8.380 nan 0.000 0.423 119 A N 0.894 123.535 122.820 -0.300 0.000 1.877 119 A HA -0.104 4.236 4.320 0.034 0.000 0.216 119 A C 2.164 179.697 177.584 -0.085 0.000 1.186 119 A CA 1.068 52.935 52.037 -0.283 0.000 0.620 119 A CB -1.113 17.565 19.000 -0.536 0.000 0.822 119 A HN 0.308 nan 8.150 nan 0.000 0.443 120 F N -0.177 119.699 119.950 -0.124 0.000 2.065 120 F HA -0.232 4.314 4.527 0.033 0.000 0.298 120 F C 2.312 178.094 175.800 -0.030 0.000 1.112 120 F CA 1.144 59.091 58.000 -0.089 0.000 1.212 120 F CB -0.416 38.539 39.000 -0.074 0.000 0.975 120 F HN 0.143 nan 8.300 nan 0.000 0.476 121 I N 0.719 121.412 120.570 0.206 0.000 2.127 121 I HA -0.345 3.845 4.170 0.034 0.000 0.241 121 I C 2.889 179.060 176.117 0.090 0.000 1.075 121 I CA 1.851 63.236 61.300 0.143 0.000 1.334 121 I CB -0.934 37.156 38.000 0.149 0.000 1.040 121 I HN 0.123 nan 8.210 nan 0.000 0.405 122 K N 0.512 120.950 120.400 0.064 0.000 2.015 122 K HA -0.332 4.008 4.320 0.034 0.000 0.216 122 K C 1.981 178.616 176.600 0.058 0.000 1.052 122 K CA 2.409 58.721 56.287 0.043 0.000 0.937 122 K CB -1.429 31.082 32.500 0.018 0.000 0.719 122 K HN 0.429 nan 8.250 nan 0.000 0.446 123 Q N -0.003 119.836 119.800 0.065 0.000 2.112 123 Q HA -0.084 4.277 4.340 0.034 0.000 0.206 123 Q C 1.965 178.054 176.000 0.149 0.000 0.987 123 Q CA 2.557 58.413 55.803 0.089 0.000 0.858 123 Q CB -0.194 28.594 28.738 0.083 0.000 0.905 123 Q HN 0.852 nan 8.270 nan 0.000 0.420 124 I N -4.632 116.007 120.570 0.116 0.000 4.139 124 I HA 0.266 4.456 4.170 0.034 0.000 0.335 124 I C -0.381 175.810 176.117 0.124 0.000 1.327 124 I CA -0.321 61.058 61.300 0.131 0.000 1.112 124 I CB 0.275 38.293 38.000 0.030 0.000 1.058 124 I HN -0.005 nan 8.210 nan 0.000 0.396 125 Q N 2.288 122.148 119.800 0.100 0.000 2.454 125 Q HA -0.110 4.250 4.340 0.034 0.000 0.341 125 Q C -2.182 173.862 176.000 0.074 0.000 1.437 125 Q CA -0.003 55.849 55.803 0.081 0.000 0.935 125 Q CB -1.121 27.664 28.738 0.079 0.000 1.164 125 Q HN 0.480 nan 8.270 nan 0.000 0.373 126 P HA -0.004 nan 4.420 nan 0.000 0.274 126 P C -0.167 177.159 177.300 0.044 0.000 1.231 126 P CA -0.011 63.126 63.100 0.061 0.000 0.790 126 P CB 0.892 32.632 31.700 0.066 0.000 0.951 127 K N 0.416 120.835 120.400 0.033 0.000 2.361 127 K HA 0.154 4.494 4.320 0.034 0.000 0.194 127 K C 0.422 177.027 176.600 0.009 0.000 1.032 127 K CA 0.135 56.436 56.287 0.024 0.000 1.048 127 K CB 0.114 32.627 32.500 0.023 0.000 0.842 127 K HN 0.295 nan 8.250 nan 0.000 0.526 128 L N 1.002 122.225 121.223 -0.000 0.000 2.386 128 L HA 0.525 4.886 4.340 0.034 0.000 0.271 128 L C -1.711 175.146 176.870 -0.022 0.000 0.993 128 L CA -1.016 53.805 54.840 -0.031 0.000 0.819 128 L CB 1.811 43.838 42.059 -0.053 0.000 1.294 128 L HN -0.083 nan 8.230 nan 0.000 0.414 129 L N 5.545 126.740 121.223 -0.046 0.000 2.436 129 L HA 0.736 5.097 4.340 0.034 0.000 0.268 129 L C -1.745 175.059 176.870 -0.110 0.000 0.974 129 L CA -0.149 54.673 54.840 -0.031 0.000 0.826 129 L CB 1.824 43.894 42.059 0.018 0.000 1.291 129 L HN 0.591 nan 8.230 nan 0.000 0.406 130 I N 4.446 124.956 120.570 -0.100 0.000 2.533 130 I HA 0.807 4.997 4.170 0.034 0.000 0.290 130 I C 0.136 176.175 176.117 -0.130 0.000 1.056 130 I CA -0.461 60.751 61.300 -0.146 0.000 1.057 130 I CB 1.920 39.847 38.000 -0.123 0.000 1.240 130 I HN 0.806 nan 8.210 nan 0.000 0.423 131 G N 2.866 111.534 108.800 -0.221 0.000 2.827 131 G HA2 0.612 4.592 3.960 0.034 0.000 0.296 131 G HA3 0.612 4.592 3.960 0.034 0.000 0.296 131 G C -1.799 173.043 174.900 -0.097 0.000 1.362 131 G CA -0.461 44.497 45.100 -0.238 0.000 0.809 131 G HN 0.462 nan 8.290 nan 0.000 0.522 132 S N -1.221 114.525 115.700 0.077 0.000 2.571 132 S HA 0.455 4.946 4.470 0.034 0.000 0.284 132 S C 0.735 175.505 174.600 0.285 0.000 1.128 132 S CA -0.663 57.651 58.200 0.191 0.000 0.970 132 S CB 1.668 65.050 63.200 0.304 0.000 1.039 132 S HN 0.446 nan 8.310 nan 0.000 0.485 133 R N 2.567 123.187 120.500 0.200 0.000 2.237 133 R HA 0.037 4.398 4.340 0.034 0.000 0.219 133 R C 1.426 177.859 176.300 0.221 0.000 1.080 133 R CA 1.063 57.290 56.100 0.212 0.000 0.995 133 R CB -0.364 30.018 30.300 0.137 0.000 0.875 133 R HN 0.745 nan 8.270 nan 0.000 0.462 134 Q N -0.456 119.485 119.800 0.234 0.000 2.482 134 Q HA -0.042 4.319 4.340 0.034 0.000 0.209 134 Q C 0.235 176.383 176.000 0.247 0.000 0.961 134 Q CA 0.316 56.248 55.803 0.216 0.000 0.945 134 Q CB 0.099 28.958 28.738 0.203 0.000 1.012 134 Q HN 0.317 nan 8.270 nan 0.000 0.515 135 H N -0.339 118.850 119.070 0.197 0.000 2.473 135 H HA 0.141 4.716 4.556 0.033 0.000 0.327 135 H C 0.989 176.303 175.328 -0.024 0.000 1.105 135 H CA 0.770 56.847 56.048 0.048 0.000 1.280 135 H CB 1.216 31.009 29.762 0.051 0.000 1.450 135 H HN 0.208 nan 8.280 nan 0.000 0.492 136 E N 3.857 123.784 120.200 -0.454 0.000 2.187 136 E HA -0.148 4.222 4.350 0.034 0.000 0.199 136 E C 1.974 178.494 176.600 -0.133 0.000 1.004 136 E CA 1.863 58.104 56.400 -0.265 0.000 0.813 136 E CB -0.580 28.915 29.700 -0.342 0.000 0.736 136 E HN 0.495 nan 8.360 nan 0.000 0.468 137 V N -1.226 118.655 119.914 -0.055 0.000 2.719 137 V HA -0.003 4.137 4.120 0.034 0.000 0.252 137 V C 1.541 177.400 176.094 -0.391 0.000 1.065 137 V CA 1.322 63.408 62.300 -0.356 0.000 1.086 137 V CB -0.391 30.975 31.823 -0.762 0.000 0.700 137 V HN 0.607 nan 8.190 nan 0.000 0.467 138 F N -1.075 118.969 119.950 0.157 0.000 2.706 138 F HA 0.276 4.822 4.527 0.033 0.000 0.313 138 F C 2.160 178.021 175.800 0.102 0.000 1.096 138 F CA -0.189 57.894 58.000 0.137 0.000 1.219 138 F CB -0.378 38.702 39.000 0.133 0.000 1.051 138 F HN -0.106 nan 8.300 nan 0.000 0.568 139 S N 0.782 116.595 115.700 0.188 0.000 2.421 139 S HA -0.245 4.246 4.470 0.034 0.000 0.239 139 S C 0.637 175.302 174.600 0.108 0.000 1.054 139 S CA 2.088 60.358 58.200 0.118 0.000 1.035 139 S CB -0.754 62.479 63.200 0.054 0.000 0.840 139 S HN 0.734 nan 8.310 nan 0.000 0.475 140 N N -1.355 117.419 118.700 0.122 0.000 3.344 140 N HA 0.319 5.079 4.740 0.034 0.000 0.296 140 N C -1.021 174.576 175.510 0.144 0.000 1.571 140 N CA -0.878 52.235 53.050 0.105 0.000 0.844 140 N CB 0.301 38.829 38.487 0.069 0.000 1.718 140 N HN -0.206 nan 8.380 nan 0.000 0.589 141 N N -0.623 118.143 118.700 0.111 0.000 2.238 141 N HA 0.088 4.849 4.740 0.034 0.000 0.222 141 N C 0.247 175.813 175.510 0.094 0.000 1.133 141 N CA 0.104 53.225 53.050 0.119 0.000 0.854 141 N CB 0.532 39.064 38.487 0.074 0.000 1.041 141 N HN 0.535 nan 8.380 nan 0.000 0.510 142 Q N 0.081 119.938 119.800 0.094 0.000 2.045 142 Q HA -0.143 4.217 4.340 0.034 0.000 0.206 142 Q C 1.500 177.561 176.000 0.103 0.000 0.991 142 Q CA 1.591 57.441 55.803 0.079 0.000 0.851 142 Q CB -0.174 28.607 28.738 0.072 0.000 0.911 142 Q HN 0.301 nan 8.270 nan 0.000 0.418 143 F N 0.880 120.833 119.950 0.006 0.000 2.075 143 F HA -0.189 4.359 4.527 0.035 0.000 0.297 143 F C 1.838 177.669 175.800 0.052 0.000 1.113 143 F CA 1.229 59.226 58.000 -0.005 0.000 1.218 143 F CB -0.299 38.644 39.000 -0.095 0.000 0.984 143 F HN -0.022 nan 8.300 nan 0.000 0.472 144 I N 0.482 121.052 120.570 0.000 0.000 2.118 144 I HA -0.372 3.818 4.170 0.034 0.000 0.241 144 I C 2.172 178.214 176.117 -0.125 0.000 1.070 144 I CA 1.872 63.134 61.300 -0.063 0.000 1.327 144 I CB -0.692 37.373 38.000 0.109 0.000 1.034 144 I HN 0.107 nan 8.210 nan 0.000 0.405 145 D N 0.885 121.251 120.400 -0.056 0.000 2.104 145 D HA -0.198 4.462 4.640 0.034 0.000 0.194 145 D C 2.480 178.728 176.300 -0.087 0.000 0.994 145 D CA 1.805 55.774 54.000 -0.052 0.000 0.830 145 D CB -0.590 40.200 40.800 -0.018 0.000 0.959 145 D HN 0.474 nan 8.370 nan 0.000 0.452 146 S N 0.665 116.299 115.700 -0.110 0.000 2.407 146 S HA -0.172 4.318 4.470 0.034 0.000 0.235 146 S C 2.142 176.647 174.600 -0.159 0.000 1.036 146 S CA 1.134 59.264 58.200 -0.115 0.000 1.013 146 S CB -0.664 62.480 63.200 -0.094 0.000 0.820 146 S HN 0.163 nan 8.310 nan 0.000 0.476 147 L N -0.017 121.056 121.223 -0.250 0.000 1.994 147 L HA -0.111 4.250 4.340 0.034 0.000 0.208 147 L C 3.057 179.863 176.870 -0.106 0.000 1.071 147 L CA 1.671 56.385 54.840 -0.209 0.000 0.745 147 L CB -1.522 40.382 42.059 -0.259 0.000 0.892 147 L HN 0.695 nan 8.230 nan 0.000 0.431 148 H N 0.066 119.085 119.070 -0.085 0.000 2.325 148 H HA -0.282 4.294 4.556 0.034 0.000 0.293 148 H C 1.926 177.231 175.328 -0.038 0.000 1.106 148 H CA 2.308 58.327 56.048 -0.048 0.000 1.247 148 H CB -1.208 28.532 29.762 -0.037 0.000 1.359 148 H HN 0.424 nan 8.280 nan 0.000 0.488 149 D N 0.141 120.517 120.400 -0.040 0.000 2.156 149 D HA -0.148 4.513 4.640 0.034 0.000 0.190 149 D C 2.272 178.557 176.300 -0.024 0.000 0.998 149 D CA 2.349 56.332 54.000 -0.028 0.000 0.842 149 D CB -0.845 39.939 40.800 -0.026 0.000 0.974 149 D HN 0.519 nan 8.370 nan 0.000 0.447 150 V N 0.804 120.699 119.914 -0.031 0.000 3.383 150 V HA -0.098 4.043 4.120 0.034 0.000 0.272 150 V C 0.234 176.319 176.094 -0.016 0.000 1.181 150 V CA 0.480 62.767 62.300 -0.021 0.000 1.171 150 V CB -1.086 30.724 31.823 -0.020 0.000 0.800 150 V HN 0.252 nan 8.190 nan 0.000 0.515 151 N N -0.068 118.620 118.700 -0.020 0.000 2.862 151 N HA -0.154 4.607 4.740 0.034 0.000 0.246 151 N C -0.120 175.385 175.510 -0.008 0.000 1.101 151 N CA 0.635 53.678 53.050 -0.011 0.000 0.679 151 N CB -1.402 37.083 38.487 -0.003 0.000 0.986 151 N HN 0.524 nan 8.380 nan 0.000 0.557 152 L N -0.963 120.248 121.223 -0.020 0.000 3.483 152 L HA 0.191 4.551 4.340 0.034 0.000 0.327 152 L C 0.122 176.979 176.870 -0.022 0.000 1.318 152 L CA -0.142 54.690 54.840 -0.013 0.000 0.979 152 L CB 0.792 42.843 42.059 -0.013 0.000 1.404 152 L HN -0.062 nan 8.230 nan 0.000 0.615 153 S N 2.942 118.627 115.700 -0.025 0.000 2.515 153 S HA 0.157 4.647 4.470 0.034 0.000 0.285 153 S C -1.870 172.729 174.600 -0.001 0.000 1.265 153 S CA -0.750 57.436 58.200 -0.023 0.000 1.079 153 S CB 0.104 63.293 63.200 -0.020 0.000 0.877 153 S HN 0.116 nan 8.310 nan 0.000 0.493 154 P HA 0.064 nan 4.420 nan 0.000 0.270 154 P C 0.452 177.764 177.300 0.020 0.000 1.221 154 P CA -0.092 63.016 63.100 0.014 0.000 0.788 154 P CB 0.650 32.356 31.700 0.011 0.000 0.904 155 E N -0.063 120.154 120.200 0.029 0.000 2.122 155 E HA 0.064 4.434 4.350 0.034 0.000 0.190 155 E C 0.408 177.052 176.600 0.074 0.000 0.977 155 E CA 0.694 57.123 56.400 0.049 0.000 0.820 155 E CB 0.090 29.820 29.700 0.050 0.000 0.770 155 E HN 0.414 nan 8.360 nan 0.000 0.462 156 I N 1.451 122.046 120.570 0.041 0.000 2.498 156 I HA 0.338 4.528 4.170 0.034 0.000 0.290 156 I C -0.769 175.326 176.117 -0.037 0.000 1.032 156 I CA -0.624 60.694 61.300 0.030 0.000 1.073 156 I CB 2.145 40.105 38.000 -0.067 0.000 1.251 156 I HN -0.123 nan 8.210 nan 0.000 0.426 157 I N 6.715 127.282 120.570 -0.005 0.000 2.465 157 I HA 0.478 4.668 4.170 0.034 0.000 0.291 157 I C -0.818 175.208 176.117 -0.152 0.000 1.014 157 I CA -0.574 60.669 61.300 -0.095 0.000 1.093 157 I CB 1.760 39.704 38.000 -0.093 0.000 1.267 157 I HN 0.261 nan 8.210 nan 0.000 0.431 158 L N 6.248 127.312 121.223 -0.265 0.000 2.365 158 L HA 0.615 4.975 4.340 0.034 0.000 0.273 158 L C -0.693 176.032 176.870 -0.242 0.000 1.000 158 L CA -0.706 53.938 54.840 -0.327 0.000 0.819 158 L CB 1.985 43.751 42.059 -0.487 0.000 1.284 158 L HN 0.441 nan 8.230 nan 0.000 0.418 159 M N 3.748 123.239 119.600 -0.181 0.000 2.243 159 M HA 0.402 4.903 4.480 0.034 0.000 0.324 159 M C -0.553 175.735 176.300 -0.020 0.000 1.031 159 M CA -0.761 54.480 55.300 -0.099 0.000 0.949 159 M CB 2.203 34.786 32.600 -0.029 0.000 1.615 159 M HN 0.358 nan 8.290 nan 0.000 0.430 160 L N 4.300 125.532 121.223 0.015 0.000 2.456 160 L HA 0.346 4.706 4.340 0.034 0.000 0.257 160 L C 0.812 177.775 176.870 0.156 0.000 1.162 160 L CA 0.666 55.557 54.840 0.084 0.000 0.808 160 L CB 0.331 42.425 42.059 0.059 0.000 1.136 160 L HN 0.782 nan 8.230 nan 0.000 0.466 161 N N 1.020 119.828 118.700 0.179 0.000 2.701 161 N HA -0.281 4.479 4.740 0.034 0.000 0.252 161 N C -0.541 175.028 175.510 0.100 0.000 1.002 161 N CA 1.208 54.332 53.050 0.123 0.000 0.758 161 N CB -1.458 37.086 38.487 0.094 0.000 0.937 161 N HN 0.899 nan 8.380 nan 0.000 0.538 162 H N -1.327 117.763 119.070 0.034 0.000 2.771 162 H HA 0.364 4.940 4.556 0.033 0.000 0.364 162 H C 0.468 175.816 175.328 0.033 0.000 1.133 162 H CA -0.205 55.859 56.048 0.026 0.000 1.423 162 H CB 0.768 30.542 29.762 0.020 0.000 1.425 162 H HN 0.049 nan 8.280 nan 0.000 0.606 163 Q N 0.884 120.670 119.800 -0.025 0.000 2.418 163 Q HA 0.470 4.830 4.340 0.034 0.000 0.276 163 Q C 0.048 176.047 176.000 -0.002 0.000 1.081 163 Q CA -0.816 54.956 55.803 -0.051 0.000 0.864 163 Q CB 1.899 30.639 28.738 0.003 0.000 1.384 163 Q HN 0.985 nan 8.270 nan 0.000 0.467 164 A N 0.949 123.766 122.820 -0.005 0.000 2.587 164 A HA -0.105 4.235 4.320 0.034 0.000 0.243 164 A C 1.039 178.639 177.584 0.027 0.000 0.998 164 A CA 1.656 53.704 52.037 0.018 0.000 0.872 164 A CB -0.899 18.106 19.000 0.008 0.000 0.859 164 A HN 1.307 nan 8.150 nan 0.000 0.458 165 T N -1.002 113.567 114.554 0.024 0.000 7.894 165 T HA -0.255 4.115 4.350 0.034 0.000 0.344 165 T C 0.068 174.725 174.700 -0.071 0.000 1.622 165 T CA 1.731 63.818 62.100 -0.021 0.000 2.550 165 T CB -1.933 66.908 68.868 -0.045 0.000 2.738 165 T HN 0.898 nan 8.240 nan 0.000 1.238 166 D N 0.569 120.973 120.400 0.006 0.000 2.341 166 D HA 0.380 5.040 4.640 0.034 0.000 0.245 166 D C 0.395 176.699 176.300 0.008 0.000 1.106 166 D CA -0.499 53.487 54.000 -0.023 0.000 0.905 166 D CB 0.312 41.164 40.800 0.087 0.000 1.202 166 D HN 0.439 nan 8.370 nan 0.000 0.426 167 F N 0.649 120.566 119.950 -0.056 0.000 2.533 167 F HA 0.177 4.724 4.527 0.033 0.000 0.378 167 F C 1.676 177.308 175.800 -0.280 0.000 1.070 167 F CA -0.594 57.339 58.000 -0.112 0.000 1.172 167 F CB 0.620 39.431 39.000 -0.316 0.000 1.085 167 F HN 0.170 nan 8.300 nan 0.000 0.552 168 G N 4.672 113.411 108.800 -0.101 0.000 2.364 168 G HA2 0.194 4.174 3.960 0.034 0.000 0.267 168 G HA3 0.194 4.174 3.960 0.034 0.000 0.267 168 G C 0.661 175.365 174.900 -0.328 0.000 1.233 168 G CA -0.580 44.139 45.100 -0.635 0.000 0.885 168 G HN 0.746 nan 8.290 nan 0.000 0.490 169 L N 3.748 124.791 121.223 -0.301 0.000 1.989 169 L HA -0.104 4.256 4.340 0.034 0.000 0.211 169 L C 2.662 179.498 176.870 -0.056 0.000 1.071 169 L CA 1.656 56.393 54.840 -0.172 0.000 0.749 169 L CB -0.624 41.366 42.059 -0.115 0.000 0.890 169 L HN 0.582 nan 8.230 nan 0.000 0.431 170 L N -0.554 120.640 121.223 -0.048 0.000 2.129 170 L HA -0.273 4.087 4.340 0.034 0.000 0.212 170 L C 2.201 179.104 176.870 0.055 0.000 1.087 170 L CA 1.713 56.567 54.840 0.024 0.000 0.757 170 L CB -0.491 41.606 42.059 0.063 0.000 0.896 170 L HN 0.449 nan 8.230 nan 0.000 0.434 171 D N -1.216 119.219 120.400 0.059 0.000 2.149 171 D HA -0.195 4.465 4.640 0.034 0.000 0.201 171 D C 1.652 178.061 176.300 0.181 0.000 0.972 171 D CA 0.970 55.045 54.000 0.124 0.000 0.835 171 D CB -0.029 40.865 40.800 0.157 0.000 0.966 171 D HN 0.213 nan 8.370 nan 0.000 0.476 172 W N 0.204 121.440 121.300 -0.106 0.000 2.961 172 W HA 0.235 4.915 4.660 0.034 0.000 0.240 172 W C 1.598 178.062 176.519 -0.092 0.000 1.305 172 W CA 0.050 57.324 57.345 -0.118 0.000 1.465 172 W CB -0.316 29.050 29.460 -0.157 0.000 1.135 172 W HN 0.108 nan 8.180 nan 0.000 0.688 173 I N -0.692 119.955 120.570 0.128 0.000 3.172 173 I HA -0.053 4.137 4.170 0.034 0.000 0.278 173 I C 2.595 178.735 176.117 0.038 0.000 1.174 173 I CA 1.125 62.464 61.300 0.064 0.000 1.445 173 I CB -0.828 37.203 38.000 0.052 0.000 1.175 173 I HN -0.048 nan 8.210 nan 0.000 0.447 174 E N 1.040 121.263 120.200 0.039 0.000 2.085 174 E HA -0.153 4.217 4.350 0.034 0.000 0.194 174 E C 1.234 177.840 176.600 0.009 0.000 0.994 174 E CA 1.717 58.133 56.400 0.028 0.000 0.801 174 E CB -0.919 28.802 29.700 0.035 0.000 0.743 174 E HN 0.576 nan 8.360 nan 0.000 0.453 175 T N -2.360 112.187 114.554 -0.012 0.000 2.876 175 T HA 0.590 4.960 4.350 0.034 0.000 0.289 175 T C -3.037 171.631 174.700 -0.054 0.000 1.014 175 T CA -2.056 60.027 62.100 -0.028 0.000 0.986 175 T CB 2.647 71.493 68.868 -0.035 0.000 1.021 175 T HN 0.019 nan 8.240 nan 0.000 0.458 176 P HA 0.395 nan 4.420 nan 0.000 0.273 176 P C -0.124 177.128 177.300 -0.080 0.000 1.250 176 P CA -0.416 62.659 63.100 -0.041 0.000 0.793 176 P CB 0.165 31.867 31.700 0.003 0.000 1.011 177 A N 0.097 122.863 122.820 -0.089 0.000 2.327 177 A HA 0.449 4.789 4.320 0.034 0.000 0.255 177 A C 1.656 179.202 177.584 -0.063 0.000 1.099 177 A CA 0.437 52.398 52.037 -0.125 0.000 0.801 177 A CB -0.829 18.085 19.000 -0.143 0.000 1.062 177 A HN 0.580 nan 8.150 nan 0.000 0.496 178 E N 0.197 120.351 120.200 -0.077 0.000 2.014 178 E HA 0.074 4.444 4.350 0.034 0.000 0.190 178 E C 1.127 177.730 176.600 0.004 0.000 0.980 178 E CA 1.493 57.870 56.400 -0.038 0.000 0.807 178 E CB -1.204 28.464 29.700 -0.053 0.000 0.770 178 E HN 0.767 nan 8.360 nan 0.000 0.451 179 T N -0.141 114.415 114.554 0.004 0.000 2.802 179 T HA 0.411 4.781 4.350 0.034 0.000 0.305 179 T C -0.342 174.433 174.700 0.124 0.000 1.053 179 T CA 0.141 62.272 62.100 0.053 0.000 1.058 179 T CB 0.247 69.128 68.868 0.021 0.000 0.988 179 T HN 0.366 nan 8.240 nan 0.000 0.539 180 F N 2.355 122.303 119.950 -0.004 0.000 2.347 180 F HA 0.624 5.171 4.527 0.034 0.000 0.366 180 F C -0.870 174.943 175.800 0.023 0.000 1.107 180 F CA -0.787 57.223 58.000 0.016 0.000 1.058 180 F CB 0.538 39.540 39.000 0.002 0.000 1.236 180 F HN 0.207 nan 8.300 nan 0.000 0.456 181 V N 4.323 123.995 119.914 -0.405 0.000 2.834 181 V HA 0.283 4.424 4.120 0.034 0.000 0.313 181 V C -0.557 175.090 176.094 -0.746 0.000 1.060 181 V CA -0.661 61.342 62.300 -0.495 0.000 0.989 181 V CB 1.867 33.582 31.823 -0.179 0.000 1.041 181 V HN 0.655 nan 8.190 nan 0.000 0.459 182 D N 1.525 121.566 120.400 -0.597 0.000 2.210 182 D HA 0.602 5.263 4.640 0.034 0.000 0.249 182 D C -0.846 175.365 176.300 -0.149 0.000 1.062 182 D CA 0.182 53.880 54.000 -0.503 0.000 0.891 182 D CB 0.953 41.566 40.800 -0.312 0.000 1.186 182 D HN 0.349 nan 8.370 nan 0.000 0.432 183 F N -0.239 119.608 119.950 -0.173 0.000 2.668 183 F HA 0.706 5.253 4.527 0.034 0.000 0.309 183 F C -0.961 174.799 175.800 -0.067 0.000 1.117 183 F CA -1.006 56.931 58.000 -0.106 0.000 0.951 183 F CB 0.947 39.886 39.000 -0.101 0.000 1.323 183 F HN 0.241 nan 8.300 nan 0.000 0.451 184 S N 0.088 115.873 115.700 0.141 0.000 2.625 184 S HA 0.712 5.202 4.470 0.034 0.000 0.271 184 S C -1.161 173.498 174.600 0.099 0.000 1.161 184 S CA -0.903 57.340 58.200 0.071 0.000 0.820 184 S CB 1.094 64.277 63.200 -0.029 0.000 1.137 184 S HN 0.850 nan 8.310 nan 0.000 0.470 185 S N 1.661 117.384 115.700 0.038 0.000 2.596 185 S HA 0.507 4.997 4.470 0.034 0.000 0.260 185 S C 0.684 175.279 174.600 -0.009 0.000 1.336 185 S CA -0.095 58.108 58.200 0.005 0.000 0.993 185 S CB 0.199 63.334 63.200 -0.109 0.000 0.923 185 S HN 1.046 nan 8.310 nan 0.000 0.567 186 T N 0.251 114.843 114.554 0.064 0.000 2.868 186 T HA 0.402 4.772 4.350 0.034 0.000 0.292 186 T C -2.799 171.890 174.700 -0.018 0.000 1.028 186 T CA -1.728 60.415 62.100 0.071 0.000 1.059 186 T CB -0.004 68.933 68.868 0.116 0.000 0.991 186 T HN 0.206 nan 8.240 nan 0.000 0.531 187 P HA 0.237 nan 4.420 nan 0.000 0.269 187 P C 0.716 177.994 177.300 -0.037 0.000 1.217 187 P CA -0.286 62.788 63.100 -0.044 0.000 0.783 187 P CB 0.135 31.844 31.700 0.014 0.000 0.898 188 A N 2.284 125.045 122.820 -0.098 0.000 2.024 188 A HA -0.175 4.166 4.320 0.034 0.000 0.220 188 A C 1.312 178.871 177.584 -0.042 0.000 1.164 188 A CA 1.943 53.934 52.037 -0.078 0.000 0.643 188 A CB -1.057 17.889 19.000 -0.089 0.000 0.806 188 A HN 0.682 nan 8.150 nan 0.000 0.451 189 D N -0.936 119.443 120.400 -0.036 0.000 2.388 189 D HA 0.097 4.757 4.640 0.034 0.000 0.221 189 D C -0.197 176.165 176.300 0.103 0.000 1.133 189 D CA -0.044 53.922 54.000 -0.056 0.000 0.831 189 D CB 0.108 40.935 40.800 0.045 0.000 0.962 189 D HN 0.304 nan 8.370 nan 0.000 0.502 190 E N 0.280 120.495 120.200 0.025 0.000 2.263 190 E HA 0.282 4.652 4.350 0.034 0.000 0.264 190 E C -0.112 176.263 176.600 -0.374 0.000 0.923 190 E CA -1.161 55.194 56.400 -0.075 0.000 0.802 190 E CB 3.050 32.788 29.700 0.063 0.000 1.228 190 E HN -0.131 nan 8.360 nan 0.000 0.417 191 V N 1.989 121.492 119.914 -0.685 0.000 2.625 191 V HA -0.098 4.043 4.120 0.034 0.000 0.305 191 V C 1.172 176.978 176.094 -0.480 0.000 1.055 191 V CA 1.248 63.143 62.300 -0.676 0.000 1.209 191 V CB 0.284 31.697 31.823 -0.684 0.000 0.877 191 V HN 0.872 nan 8.190 nan 0.000 0.489 192 A N 5.642 128.119 122.820 -0.571 0.000 1.942 192 A HA 0.565 4.905 4.320 0.034 0.000 0.209 192 A C 0.495 177.889 177.584 -0.317 0.000 1.214 192 A CA 0.898 52.566 52.037 -0.614 0.000 0.686 192 A CB 0.240 18.619 19.000 -1.035 0.000 0.871 192 A HN 1.120 nan 8.150 nan 0.000 0.460 193 F N -4.370 115.218 119.950 -0.602 0.000 2.858 193 F HA 0.681 5.226 4.527 0.030 0.000 0.319 193 F C -1.941 173.491 175.800 -0.613 0.000 1.166 193 F CA -1.965 55.718 58.000 -0.530 0.000 0.899 193 F CB 0.549 39.398 39.000 -0.251 0.000 1.332 193 F HN -0.129 nan 8.300 nan 0.000 0.461 194 F N 2.430 122.122 119.950 -0.430 0.000 2.415 194 F HA 0.501 5.047 4.527 0.032 0.000 0.348 194 F C 0.357 175.802 175.800 -0.591 0.000 1.119 194 F CA -0.551 57.118 58.000 -0.552 0.000 1.069 194 F CB 1.389 40.191 39.000 -0.331 0.000 1.124 194 F HN 0.395 nan 8.300 nan 0.000 0.472 195 Q N 2.555 122.073 119.800 -0.470 0.000 2.256 195 Q HA 0.580 4.941 4.340 0.034 0.000 0.232 195 Q C -0.703 175.243 176.000 -0.091 0.000 0.965 195 Q CA -0.503 55.158 55.803 -0.236 0.000 0.908 195 Q CB 1.843 30.427 28.738 -0.255 0.000 1.209 195 Q HN 0.624 nan 8.270 nan 0.000 0.489 196 L N 0.254 121.443 121.223 -0.057 0.000 2.342 196 L HA 0.466 4.826 4.340 0.034 0.000 0.271 196 L C 0.298 177.173 176.870 0.009 0.000 1.008 196 L CA -0.906 53.928 54.840 -0.009 0.000 0.818 196 L CB 1.887 43.963 42.059 0.027 0.000 1.296 196 L HN 0.613 nan 8.230 nan 0.000 0.427 197 S N -0.175 115.567 115.700 0.070 0.000 2.601 197 S HA 0.396 4.887 4.470 0.034 0.000 0.271 197 S C 0.753 175.402 174.600 0.083 0.000 1.305 197 S CA -0.044 58.205 58.200 0.082 0.000 1.022 197 S CB 1.563 64.861 63.200 0.164 0.000 0.940 197 S HN 0.815 nan 8.310 nan 0.000 0.525 198 G N 0.015 108.868 108.800 0.088 0.000 2.939 198 G HA2 0.365 4.345 3.960 0.034 0.000 0.216 198 G HA3 0.365 4.345 3.960 0.034 0.000 0.216 198 G C 0.687 175.657 174.900 0.116 0.000 1.125 198 G CA -0.009 45.159 45.100 0.114 0.000 0.766 198 G HN 1.022 nan 8.290 nan 0.000 0.541 199 G N 0.630 109.502 108.800 0.120 0.000 3.949 199 G HA2 0.443 4.423 3.960 0.034 0.000 0.295 199 G HA3 0.443 4.423 3.960 0.034 0.000 0.295 199 G C -0.135 174.823 174.900 0.096 0.000 1.286 199 G CA -0.050 45.120 45.100 0.117 0.000 1.171 199 G HN 0.192 nan 8.290 nan 0.000 0.586 200 S N 0.246 115.985 115.700 0.065 0.000 2.549 200 S HA 0.594 5.084 4.470 0.034 0.000 0.297 200 S C 0.283 174.899 174.600 0.026 0.000 1.115 200 S CA -0.556 57.656 58.200 0.020 0.000 1.059 200 S CB 1.597 64.775 63.200 -0.036 0.000 1.046 200 S HN 0.434 nan 8.310 nan 0.000 0.506 201 T N 0.283 114.845 114.554 0.012 0.000 2.771 201 T HA 0.723 5.093 4.350 0.034 0.000 0.291 201 T C 0.577 175.278 174.700 0.002 0.000 0.954 201 T CA -0.020 62.089 62.100 0.016 0.000 1.045 201 T CB 0.611 69.489 68.868 0.016 0.000 0.917 201 T HN 1.205 nan 8.240 nan 0.000 0.484 202 G N 2.635 111.452 108.800 0.028 0.000 2.610 202 G HA2 0.099 4.079 3.960 0.034 0.000 0.304 202 G HA3 0.099 4.079 3.960 0.034 0.000 0.304 202 G C -0.052 174.851 174.900 0.004 0.000 1.309 202 G CA -0.480 44.644 45.100 0.040 0.000 0.906 202 G HN 1.701 nan 8.290 nan 0.000 0.521 203 T N -0.140 114.367 114.554 -0.079 0.000 2.932 203 T HA 0.499 4.869 4.350 0.034 0.000 0.312 203 T C -2.053 172.592 174.700 -0.092 0.000 1.071 203 T CA -0.121 61.851 62.100 -0.214 0.000 1.128 203 T CB 0.968 69.559 68.868 -0.462 0.000 0.984 203 T HN 0.512 nan 8.240 nan 0.000 0.549 204 P HA 0.179 nan 4.420 nan 0.000 0.267 204 P C 0.059 177.398 177.300 0.065 0.000 1.205 204 P CA -0.321 62.825 63.100 0.076 0.000 0.765 204 P CB 0.387 32.203 31.700 0.193 0.000 0.828 205 K N 2.736 123.110 120.400 -0.043 0.000 2.276 205 K HA 0.249 4.590 4.320 0.034 0.000 0.259 205 K C 0.205 176.858 176.600 0.088 0.000 1.001 205 K CA -0.190 56.047 56.287 -0.083 0.000 0.927 205 K CB 0.413 32.615 32.500 -0.498 0.000 0.969 205 K HN 0.460 nan 8.250 nan 0.000 0.490 206 L N 3.186 124.483 121.223 0.122 0.000 2.289 206 L HA 0.451 4.811 4.340 0.034 0.000 0.285 206 L C 0.229 177.279 176.870 0.301 0.000 1.049 206 L CA -0.649 54.209 54.840 0.031 0.000 0.804 206 L CB 0.557 42.372 42.059 -0.406 0.000 1.195 206 L HN 0.389 nan 8.230 nan 0.000 0.428 207 I N 4.729 125.437 120.570 0.229 0.000 2.405 207 I HA 0.291 4.481 4.170 0.034 0.000 0.280 207 I C -2.254 173.953 176.117 0.149 0.000 1.027 207 I CA -1.920 59.483 61.300 0.172 0.000 1.161 207 I CB 1.713 39.632 38.000 -0.134 0.000 1.300 207 I HN 0.272 nan 8.210 nan 0.000 0.463 208 P HA 0.187 nan 4.420 nan 0.000 0.268 208 P C -0.855 176.321 177.300 -0.208 0.000 1.205 208 P CA -0.287 62.754 63.100 -0.098 0.000 0.771 208 P CB 0.578 32.284 31.700 0.010 0.000 0.858 209 R N 1.132 121.351 120.500 -0.467 0.000 2.575 209 R HA 0.490 4.850 4.340 0.034 0.000 0.293 209 R C 0.128 176.215 176.300 -0.356 0.000 0.983 209 R CA -0.538 55.366 56.100 -0.328 0.000 0.887 209 R CB 1.311 31.282 30.300 -0.548 0.000 1.184 209 R HN 0.464 nan 8.270 nan 0.000 0.445 210 T N -1.760 112.686 114.554 -0.180 0.000 2.881 210 T HA 0.275 4.646 4.350 0.034 0.000 0.278 210 T C 1.289 175.894 174.700 -0.157 0.000 0.982 210 T CA -0.493 61.447 62.100 -0.267 0.000 0.989 210 T CB 0.888 69.608 68.868 -0.247 0.000 1.058 210 T HN 0.524 nan 8.240 nan 0.000 0.529 211 H N 0.776 119.779 119.070 -0.112 0.000 2.387 211 H HA -0.083 4.494 4.556 0.034 0.000 0.299 211 H C 2.012 177.296 175.328 -0.074 0.000 1.090 211 H CA 1.571 57.597 56.048 -0.035 0.000 1.332 211 H CB -0.105 29.626 29.762 -0.052 0.000 1.386 211 H HN 0.542 nan 8.280 nan 0.000 0.516 212 N N 1.093 119.696 118.700 -0.162 0.000 2.106 212 N HA -0.130 4.630 4.740 0.034 0.000 0.188 212 N C 1.747 177.086 175.510 -0.285 0.000 1.029 212 N CA 1.708 54.515 53.050 -0.405 0.000 0.848 212 N CB -0.385 37.409 38.487 -1.155 0.000 1.007 212 N HN 0.636 nan 8.380 nan 0.000 0.423 213 D N -1.137 119.107 120.400 -0.260 0.000 2.149 213 D HA -0.150 4.510 4.640 0.034 0.000 0.201 213 D C 1.953 178.438 176.300 0.308 0.000 0.972 213 D CA 0.755 54.839 54.000 0.140 0.000 0.835 213 D CB -0.496 40.494 40.800 0.317 0.000 0.966 213 D HN 0.199 nan 8.370 nan 0.000 0.476 214 Y N 0.866 121.238 120.300 0.119 0.000 2.184 214 Y HA -0.076 4.495 4.550 0.035 0.000 0.290 214 Y C 1.893 177.852 175.900 0.098 0.000 1.129 214 Y CA 1.651 59.840 58.100 0.147 0.000 1.144 214 Y CB -0.503 38.083 38.460 0.209 0.000 0.995 214 Y HN -0.042 nan 8.280 nan 0.000 0.513 215 D N -1.241 119.279 120.400 0.199 0.000 2.149 215 D HA -0.272 4.388 4.640 0.034 0.000 0.198 215 D C 2.061 178.376 176.300 0.025 0.000 0.990 215 D CA 1.456 55.517 54.000 0.102 0.000 0.839 215 D CB -0.505 40.384 40.800 0.148 0.000 0.948 215 D HN 0.424 nan 8.370 nan 0.000 0.460 216 Y N 1.157 121.442 120.300 -0.025 0.000 2.097 216 Y HA -0.241 4.331 4.550 0.038 0.000 0.282 216 Y C 2.555 178.323 175.900 -0.219 0.000 1.152 216 Y CA 2.559 60.629 58.100 -0.049 0.000 1.136 216 Y CB -1.039 37.470 38.460 0.082 0.000 0.975 216 Y HN 0.083 nan 8.280 nan 0.000 0.498 217 S N -0.719 114.665 115.700 -0.525 0.000 2.382 217 S HA -0.178 4.312 4.470 0.034 0.000 0.228 217 S C 2.021 176.257 174.600 -0.607 0.000 1.027 217 S CA 1.528 59.215 58.200 -0.855 0.000 0.991 217 S CB -1.267 61.442 63.200 -0.819 0.000 0.823 217 S HN 0.271 nan 8.310 nan 0.000 0.469 218 V N 2.695 122.332 119.914 -0.462 0.000 2.223 218 V HA -0.183 3.957 4.120 0.034 0.000 0.244 218 V C 3.023 178.869 176.094 -0.412 0.000 1.045 218 V CA 2.294 64.380 62.300 -0.357 0.000 1.000 218 V CB -0.833 30.846 31.823 -0.239 0.000 0.635 218 V HN 0.495 nan 8.190 nan 0.000 0.445 219 R N 0.115 120.319 120.500 -0.493 0.000 2.103 219 R HA -0.193 4.168 4.340 0.034 0.000 0.242 219 R C 2.308 178.375 176.300 -0.388 0.000 1.142 219 R CA 1.697 57.426 56.100 -0.619 0.000 0.960 219 R CB -0.647 29.401 30.300 -0.419 0.000 0.858 219 R HN 0.558 nan 8.270 nan 0.000 0.439 220 A N 0.202 122.740 122.820 -0.470 0.000 2.016 220 A HA -0.039 4.302 4.320 0.034 0.000 0.217 220 A C 2.138 179.491 177.584 -0.385 0.000 1.162 220 A CA 1.107 52.891 52.037 -0.422 0.000 0.662 220 A CB -0.077 18.540 19.000 -0.639 0.000 0.812 220 A HN 0.192 nan 8.150 nan 0.000 0.450 221 S N 0.115 115.567 115.700 -0.414 0.000 2.371 221 S HA 0.023 4.514 4.470 0.034 0.000 0.224 221 S C 2.338 176.735 174.600 -0.337 0.000 1.029 221 S CA 0.961 58.905 58.200 -0.426 0.000 0.978 221 S CB -0.419 62.614 63.200 -0.278 0.000 0.833 221 S HN 0.773 nan 8.310 nan 0.000 0.466 222 A N 1.635 124.323 122.820 -0.219 0.000 1.917 222 A HA -0.236 4.104 4.320 0.034 0.000 0.219 222 A C 2.041 179.563 177.584 -0.103 0.000 1.182 222 A CA 2.107 54.082 52.037 -0.103 0.000 0.633 222 A CB -0.652 18.374 19.000 0.044 0.000 0.819 222 A HN 0.611 nan 8.150 nan 0.000 0.448 223 E N -0.129 120.002 120.200 -0.116 0.000 2.046 223 E HA -0.104 4.266 4.350 0.034 0.000 0.190 223 E C 1.743 178.270 176.600 -0.121 0.000 0.982 223 E CA 1.231 57.583 56.400 -0.080 0.000 0.800 223 E CB -0.391 29.277 29.700 -0.053 0.000 0.756 223 E HN 0.574 nan 8.360 nan 0.000 0.449 224 I N 0.479 120.929 120.570 -0.199 0.000 2.264 224 I HA -0.315 3.875 4.170 0.034 0.000 0.248 224 I C 1.687 177.671 176.117 -0.222 0.000 1.111 224 I CA 0.896 62.060 61.300 -0.227 0.000 1.382 224 I CB -0.109 37.673 38.000 -0.364 0.000 1.060 224 I HN 0.359 nan 8.210 nan 0.000 0.418 225 C N 1.012 120.156 119.300 -0.259 0.000 2.626 225 C HA 0.335 4.815 4.460 0.034 0.000 0.266 225 C C 1.700 176.636 174.990 -0.090 0.000 1.317 225 C CA 0.078 58.991 59.018 -0.174 0.000 1.716 225 C CB -1.377 26.252 27.740 -0.186 0.000 1.819 225 C HN 0.752 nan 8.230 nan 0.000 0.578 226 G N 1.628 110.381 108.800 -0.078 0.000 2.323 226 G HA2 -0.241 3.739 3.960 0.034 0.000 0.292 226 G HA3 -0.241 3.739 3.960 0.034 0.000 0.292 226 G C -0.037 174.844 174.900 -0.031 0.000 1.040 226 G CA -0.114 44.960 45.100 -0.044 0.000 0.942 226 G HN 0.601 nan 8.290 nan 0.000 0.506 227 L N -0.099 121.105 121.223 -0.031 0.000 2.452 227 L HA 0.473 4.833 4.340 0.034 0.000 0.267 227 L C 0.742 177.604 176.870 -0.013 0.000 1.188 227 L CA 0.139 54.969 54.840 -0.016 0.000 0.821 227 L CB 0.770 42.827 42.059 -0.004 0.000 1.102 227 L HN 0.716 nan 8.230 nan 0.000 0.470 228 N N -1.780 116.909 118.700 -0.018 0.000 3.364 228 N HA 0.126 4.886 4.740 0.034 0.000 0.294 228 N C -0.115 175.367 175.510 -0.047 0.000 1.562 228 N CA -0.281 52.750 53.050 -0.032 0.000 0.862 228 N CB 0.659 39.129 38.487 -0.028 0.000 1.691 228 N HN 0.333 nan 8.380 nan 0.000 0.572 229 S N -1.707 113.951 115.700 -0.071 0.000 2.603 229 S HA 0.079 4.569 4.470 0.034 0.000 0.220 229 S C 0.167 174.730 174.600 -0.061 0.000 0.967 229 S CA 0.302 58.439 58.200 -0.104 0.000 0.920 229 S CB -1.066 62.028 63.200 -0.176 0.000 0.773 229 S HN 0.598 nan 8.310 nan 0.000 0.529 230 N N 0.721 119.398 118.700 -0.037 0.000 2.299 230 N HA 0.091 4.852 4.740 0.034 0.000 0.187 230 N C -0.478 175.025 175.510 -0.012 0.000 1.099 230 N CA 0.047 53.085 53.050 -0.020 0.000 0.867 230 N CB 0.321 38.800 38.487 -0.013 0.000 0.974 230 N HN 0.186 nan 8.380 nan 0.000 0.477 231 T N 1.445 115.990 114.554 -0.015 0.000 2.902 231 T HA 0.147 4.518 4.350 0.034 0.000 0.301 231 T C 0.217 174.912 174.700 -0.008 0.000 1.012 231 T CA 0.439 62.533 62.100 -0.009 0.000 1.151 231 T CB 0.544 69.406 68.868 -0.010 0.000 0.946 231 T HN 0.103 nan 8.240 nan 0.000 0.542 232 R N 2.323 122.822 120.500 -0.002 0.000 2.473 232 R HA 0.469 4.830 4.340 0.034 0.000 0.303 232 R C -1.308 174.991 176.300 -0.000 0.000 1.002 232 R CA -0.768 55.330 56.100 -0.004 0.000 0.884 232 R CB 1.175 31.480 30.300 0.009 0.000 1.173 232 R HN 0.383 nan 8.270 nan 0.000 0.464 233 L N 4.107 125.320 121.223 -0.017 0.000 2.322 233 L HA 0.483 4.843 4.340 0.034 0.000 0.281 233 L C -1.267 175.592 176.870 -0.018 0.000 1.014 233 L CA -0.901 53.929 54.840 -0.016 0.000 0.815 233 L CB 1.449 43.488 42.059 -0.033 0.000 1.247 233 L HN 0.487 nan 8.230 nan 0.000 0.421 234 L N 5.551 126.779 121.223 0.007 0.000 2.319 234 L HA 0.371 4.732 4.340 0.034 0.000 0.280 234 L C -0.691 176.172 176.870 -0.012 0.000 1.099 234 L CA 0.214 55.070 54.840 0.027 0.000 0.828 234 L CB 0.643 42.763 42.059 0.102 0.000 1.150 234 L HN 0.781 nan 8.230 nan 0.000 0.442 235 C N 5.934 125.226 119.300 -0.013 0.000 2.136 235 C HA 0.541 5.021 4.460 0.034 0.000 0.381 235 C C 1.555 176.525 174.990 -0.032 0.000 1.039 235 C CA -0.134 58.859 59.018 -0.041 0.000 1.491 235 C CB -1.037 26.694 27.740 -0.016 0.000 1.663 235 C HN 0.997 nan 8.230 nan 0.000 0.470 236 A N 2.462 125.266 122.820 -0.027 0.000 1.984 236 A HA 0.205 4.545 4.320 0.034 0.000 0.214 236 A C 0.980 178.530 177.584 -0.057 0.000 1.173 236 A CA 0.648 52.688 52.037 0.006 0.000 0.673 236 A CB -0.061 19.002 19.000 0.104 0.000 0.830 236 A HN 0.751 nan 8.150 nan 0.000 0.453 237 L N 0.016 121.161 121.223 -0.129 0.000 2.476 237 L HA 0.220 4.580 4.340 0.034 0.000 0.255 237 L C -2.321 174.467 176.870 -0.137 0.000 1.218 237 L CA -1.975 52.770 54.840 -0.157 0.000 0.819 237 L CB -0.118 41.786 42.059 -0.257 0.000 1.119 237 L HN 0.016 nan 8.230 nan 0.000 0.485 238 P HA 0.022 nan 4.420 nan 0.000 0.267 238 P C -0.005 177.170 177.300 -0.208 0.000 1.209 238 P CA 0.042 63.063 63.100 -0.132 0.000 0.763 238 P CB 0.973 32.636 31.700 -0.062 0.000 0.816 239 A N 7.658 130.239 122.820 -0.397 0.000 1.903 239 A HA -0.168 4.172 4.320 0.034 0.000 0.219 239 A C -0.425 176.800 177.584 -0.599 0.000 1.191 239 A CA 1.972 53.638 52.037 -0.619 0.000 0.638 239 A CB -2.383 15.894 19.000 -1.204 0.000 0.823 239 A HN 0.490 nan 8.150 nan 0.000 0.451 240 P HA -0.061 nan 4.420 nan 0.000 0.241 240 P C 0.320 177.618 177.300 -0.003 0.000 1.191 240 P CA 0.438 63.413 63.100 -0.208 0.000 0.771 240 P CB -0.388 31.276 31.700 -0.061 0.000 0.929 241 H N 1.187 120.218 119.070 -0.064 0.000 2.815 241 H HA 0.056 4.633 4.556 0.036 0.000 0.350 241 H C 1.199 176.597 175.328 0.117 0.000 1.080 241 H CA 0.327 56.400 56.048 0.042 0.000 1.433 241 H CB 0.667 30.453 29.762 0.040 0.000 1.432 241 H HN -0.168 nan 8.280 nan 0.000 0.592 242 N N 3.193 121.925 118.700 0.053 0.000 2.205 242 N HA -0.197 4.563 4.740 0.034 0.000 0.186 242 N C 1.611 177.361 175.510 0.400 0.000 1.015 242 N CA 1.020 54.217 53.050 0.245 0.000 0.862 242 N CB -0.281 38.282 38.487 0.127 0.000 0.986 242 N HN 0.484 nan 8.380 nan 0.000 0.429 243 F N 0.700 120.893 119.950 0.405 0.000 2.060 243 F HA -0.008 4.544 4.527 0.041 0.000 0.295 243 F C 2.138 178.010 175.800 0.120 0.000 1.120 243 F CA 1.211 59.336 58.000 0.208 0.000 1.205 243 F CB -1.070 38.007 39.000 0.129 0.000 0.986 243 F HN 0.079 nan 8.300 nan 0.000 0.470 244 M N -0.222 119.430 119.600 0.087 0.000 2.279 244 M HA -0.093 4.407 4.480 0.034 0.000 0.264 244 M C 1.774 178.081 176.300 0.012 0.000 1.062 244 M CA 1.313 56.543 55.300 -0.116 0.000 1.099 244 M CB -0.709 31.815 32.600 -0.127 0.000 1.394 244 M HN 0.268 nan 8.290 nan 0.000 0.426 245 L N -1.363 119.929 121.223 0.115 0.000 2.298 245 L HA 0.120 4.481 4.340 0.034 0.000 0.209 245 L C 1.757 178.714 176.870 0.144 0.000 1.084 245 L CA 1.565 56.488 54.840 0.139 0.000 0.816 245 L CB -0.061 42.086 42.059 0.148 0.000 0.967 245 L HN 0.475 nan 8.230 nan 0.000 0.460 246 S N -4.226 111.556 115.700 0.136 0.000 2.817 246 S HA 0.249 4.739 4.470 0.034 0.000 0.262 246 S C 0.600 175.208 174.600 0.012 0.000 1.051 246 S CA -0.011 58.183 58.200 -0.011 0.000 1.185 246 S CB 0.078 63.100 63.200 -0.296 0.000 1.152 246 S HN 0.105 nan 8.310 nan 0.000 0.653 247 S N 3.355 119.157 115.700 0.170 0.000 2.384 247 S HA 0.403 4.893 4.470 0.034 0.000 0.227 247 S C -2.287 172.566 174.600 0.421 0.000 1.257 247 S CA -0.809 57.580 58.200 0.315 0.000 1.249 247 S CB 1.047 64.448 63.200 0.336 0.000 1.018 247 S HN 0.419 nan 8.310 nan 0.000 0.478 248 P HA 0.210 nan 4.420 nan 0.000 0.228 248 P C 1.091 178.411 177.300 0.034 0.000 1.166 248 P CA 0.697 63.822 63.100 0.042 0.000 0.812 248 P CB -0.028 31.652 31.700 -0.034 0.000 0.857 249 G N 0.351 109.173 108.800 0.035 0.000 2.692 249 G HA2 -0.200 3.780 3.960 0.034 0.000 0.248 249 G HA3 -0.200 3.780 3.960 0.034 0.000 0.248 249 G C 1.133 176.036 174.900 0.004 0.000 1.340 249 G CA 0.099 45.205 45.100 0.010 0.000 0.896 249 G HN 0.351 nan 8.290 nan 0.000 0.570 250 A N -1.022 121.804 122.820 0.010 0.000 1.898 250 A HA 0.168 4.508 4.320 0.034 0.000 0.216 250 A C 2.733 180.327 177.584 0.016 0.000 1.181 250 A CA 2.251 54.257 52.037 -0.052 0.000 0.620 250 A CB -0.392 18.506 19.000 -0.169 0.000 0.819 250 A HN 1.024 nan 8.150 nan 0.000 0.442 251 L N -0.668 120.619 121.223 0.108 0.000 2.012 251 L HA -0.187 4.173 4.340 0.034 0.000 0.210 251 L C 2.854 179.806 176.870 0.136 0.000 1.073 251 L CA 1.373 56.319 54.840 0.177 0.000 0.748 251 L CB -1.075 41.108 42.059 0.206 0.000 0.891 251 L HN 0.500 nan 8.230 nan 0.000 0.431 252 G N -0.536 108.299 108.800 0.059 0.000 2.422 252 G HA2 -0.188 3.792 3.960 0.034 0.000 0.218 252 G HA3 -0.188 3.792 3.960 0.034 0.000 0.218 252 G C 1.606 176.567 174.900 0.102 0.000 1.146 252 G CA 0.856 45.981 45.100 0.041 0.000 0.769 252 G HN 0.201 nan 8.290 nan 0.000 0.547 253 V N 0.656 120.609 119.914 0.065 0.000 2.427 253 V HA -0.058 4.082 4.120 0.034 0.000 0.248 253 V C 2.876 179.035 176.094 0.109 0.000 1.051 253 V CA 1.250 63.583 62.300 0.055 0.000 1.048 253 V CB -0.253 31.573 31.823 0.004 0.000 0.666 253 V HN 0.341 nan 8.190 nan 0.000 0.456 254 L N -0.603 120.707 121.223 0.144 0.000 2.093 254 L HA -0.173 4.187 4.340 0.034 0.000 0.208 254 L C 2.563 179.606 176.870 0.289 0.000 1.085 254 L CA 1.810 56.802 54.840 0.253 0.000 0.755 254 L CB -0.756 41.424 42.059 0.201 0.000 0.904 254 L HN 0.456 nan 8.230 nan 0.000 0.435 255 H N 0.302 119.456 119.070 0.139 0.000 2.422 255 H HA -0.144 4.432 4.556 0.034 0.000 0.298 255 H C 1.929 177.297 175.328 0.068 0.000 1.098 255 H CA 1.499 57.606 56.048 0.098 0.000 1.315 255 H CB 0.203 30.002 29.762 0.062 0.000 1.382 255 H HN 0.291 nan 8.280 nan 0.000 0.523 256 A N -0.761 122.100 122.820 0.070 0.000 2.251 256 A HA 0.328 4.668 4.320 0.034 0.000 0.209 256 A C 1.923 179.458 177.584 -0.082 0.000 1.187 256 A CA 0.696 52.716 52.037 -0.028 0.000 0.823 256 A CB -0.658 18.358 19.000 0.027 0.000 0.846 256 A HN 0.789 nan 8.150 nan 0.000 0.486 257 G N -1.543 107.209 108.800 -0.080 0.000 2.143 257 G HA2 -0.070 3.911 3.960 0.034 0.000 0.248 257 G HA3 -0.070 3.911 3.960 0.034 0.000 0.248 257 G C 0.756 175.560 174.900 -0.160 0.000 0.991 257 G CA 0.533 45.393 45.100 -0.401 0.000 0.689 257 G HN 1.258 nan 8.290 nan 0.000 0.522 258 G N -1.541 107.280 108.800 0.034 0.000 2.494 258 G HA2 0.467 4.447 3.960 0.034 0.000 0.270 258 G HA3 0.467 4.447 3.960 0.034 0.000 0.270 258 G C 0.193 175.123 174.900 0.050 0.000 1.423 258 G CA 0.241 45.356 45.100 0.024 0.000 1.055 258 G HN 1.235 nan 8.290 nan 0.000 0.536 259 C N -0.424 118.869 119.300 -0.012 0.000 2.396 259 C HA 0.617 5.097 4.460 0.034 0.000 0.321 259 C C -0.142 174.798 174.990 -0.084 0.000 1.233 259 C CA -0.628 58.353 59.018 -0.061 0.000 1.440 259 C CB 0.330 28.041 27.740 -0.047 0.000 2.110 259 C HN 0.452 nan 8.230 nan 0.000 0.473 260 V N 6.667 126.500 119.914 -0.136 0.000 2.498 260 V HA 0.399 4.539 4.120 0.034 0.000 0.279 260 V C 0.001 176.025 176.094 -0.117 0.000 1.048 260 V CA -0.076 62.142 62.300 -0.138 0.000 0.967 260 V CB 1.592 33.269 31.823 -0.243 0.000 0.988 260 V HN 0.696 nan 8.190 nan 0.000 0.473 261 V N 6.299 126.164 119.914 -0.082 0.000 2.378 261 V HA 0.409 4.550 4.120 0.034 0.000 0.288 261 V C 0.195 176.265 176.094 -0.041 0.000 1.016 261 V CA -0.703 61.541 62.300 -0.092 0.000 0.840 261 V CB 1.505 33.287 31.823 -0.068 0.000 0.994 261 V HN 0.717 nan 8.190 nan 0.000 0.431 262 M N 3.771 123.349 119.600 -0.037 0.000 2.242 262 M HA 0.675 5.176 4.480 0.034 0.000 0.344 262 M C 0.149 176.454 176.300 0.009 0.000 1.140 262 M CA 0.247 55.550 55.300 0.004 0.000 1.160 262 M CB 1.228 33.837 32.600 0.016 0.000 1.491 262 M HN 0.790 nan 8.290 nan 0.000 0.459 263 A N 4.384 127.209 122.820 0.008 0.000 2.520 263 A HA 0.722 5.062 4.320 0.034 0.000 0.298 263 A C -2.165 175.413 177.584 -0.009 0.000 1.051 263 A CA -0.963 51.083 52.037 0.015 0.000 0.690 263 A CB 1.368 20.396 19.000 0.047 0.000 1.281 263 A HN 0.562 nan 8.150 nan 0.000 0.402 264 P HA -0.073 nan 4.420 nan 0.000 0.217 264 P C 0.083 177.372 177.300 -0.018 0.000 1.150 264 P CA 1.810 64.892 63.100 -0.031 0.000 0.832 264 P CB -0.077 31.611 31.700 -0.020 0.000 0.787 265 N N -3.304 115.401 118.700 0.008 0.000 3.308 265 N HA 0.242 5.002 4.740 0.034 0.000 0.276 265 N C -3.021 172.530 175.510 0.068 0.000 1.533 265 N CA -1.549 51.514 53.050 0.022 0.000 0.878 265 N CB -0.514 37.988 38.487 0.024 0.000 1.566 265 N HN -0.336 nan 8.380 nan 0.000 0.546 266 P HA 0.090 nan 4.420 nan 0.000 0.256 266 P C -0.579 176.896 177.300 0.292 0.000 1.384 266 P CA 0.113 63.349 63.100 0.226 0.000 0.879 266 P CB 0.053 31.823 31.700 0.118 0.000 1.403 267 E N 2.559 122.823 120.200 0.106 0.000 2.652 267 E HA -0.080 4.290 4.350 0.034 0.000 0.255 267 E C -1.224 175.297 176.600 -0.133 0.000 0.952 267 E CA -0.943 55.460 56.400 0.006 0.000 0.947 267 E CB 0.749 30.420 29.700 -0.050 0.000 0.912 267 E HN 0.125 nan 8.360 nan 0.000 0.489 268 P HA -0.144 nan 4.420 nan 0.000 0.216 268 P C 1.758 178.301 177.300 -1.261 0.000 1.153 268 P CA 0.835 63.303 63.100 -1.053 0.000 0.844 268 P CB 0.160 31.175 31.700 -1.141 0.000 0.787 269 L N -0.176 120.557 121.223 -0.817 0.000 2.012 269 L HA -0.199 4.161 4.340 0.034 0.000 0.210 269 L C 2.659 179.270 176.870 -0.431 0.000 1.073 269 L CA 1.885 56.318 54.840 -0.678 0.000 0.748 269 L CB -1.281 40.519 42.059 -0.431 0.000 0.891 269 L HN 0.126 nan 8.230 nan 0.000 0.431 270 N N -0.356 118.172 118.700 -0.287 0.000 2.043 270 N HA -0.210 4.551 4.740 0.034 0.000 0.193 270 N C 2.003 177.438 175.510 -0.126 0.000 1.037 270 N CA 1.967 54.922 53.050 -0.158 0.000 0.851 270 N CB 0.045 38.477 38.487 -0.091 0.000 1.027 270 N HN 0.362 nan 8.380 nan 0.000 0.422 271 C N 0.591 119.801 119.300 -0.150 0.000 2.398 271 C HA -0.149 4.331 4.460 0.034 0.000 0.276 271 C C 2.476 177.460 174.990 -0.009 0.000 1.222 271 C CA 0.380 59.361 59.018 -0.062 0.000 1.746 271 C CB -1.720 25.991 27.740 -0.049 0.000 2.039 271 C HN 0.455 nan 8.230 nan 0.000 0.470 272 F N 1.676 121.368 119.950 -0.430 0.000 2.126 272 F HA -0.148 4.396 4.527 0.028 0.000 0.299 272 F C 2.662 178.327 175.800 -0.224 0.000 1.096 272 F CA 1.517 59.290 58.000 -0.378 0.000 1.255 272 F CB -1.592 37.122 39.000 -0.477 0.000 0.997 272 F HN 0.173 nan 8.300 nan 0.000 0.479 273 S N 0.554 116.250 115.700 -0.005 0.000 2.348 273 S HA -0.155 4.335 4.470 0.034 0.000 0.221 273 S C 2.250 176.840 174.600 -0.017 0.000 1.033 273 S CA 1.338 59.522 58.200 -0.027 0.000 1.010 273 S CB -0.527 62.646 63.200 -0.045 0.000 0.891 273 S HN 0.260 nan 8.310 nan 0.000 0.442 274 I N 1.552 122.134 120.570 0.021 0.000 2.127 274 I HA -0.228 3.962 4.170 0.034 0.000 0.241 274 I C 2.119 178.296 176.117 0.100 0.000 1.075 274 I CA 1.299 62.659 61.300 0.101 0.000 1.334 274 I CB -0.595 37.477 38.000 0.120 0.000 1.040 274 I HN 0.245 nan 8.210 nan 0.000 0.405 275 I N 0.320 120.926 120.570 0.060 0.000 2.113 275 I HA -0.415 3.776 4.170 0.034 0.000 0.242 275 I C 2.764 178.887 176.117 0.010 0.000 1.057 275 I CA 1.916 63.239 61.300 0.038 0.000 1.314 275 I CB -0.513 37.478 38.000 -0.014 0.000 1.022 275 I HN 0.436 nan 8.210 nan 0.000 0.408 276 Q N 0.898 120.684 119.800 -0.023 0.000 2.020 276 Q HA -0.206 4.154 4.340 0.034 0.000 0.198 276 Q C 2.485 178.445 176.000 -0.067 0.000 0.974 276 Q CA 1.057 56.837 55.803 -0.039 0.000 0.829 276 Q CB -0.096 28.619 28.738 -0.039 0.000 0.894 276 Q HN 0.296 nan 8.270 nan 0.000 0.433 277 R N -0.595 119.831 120.500 -0.123 0.000 2.134 277 R HA -0.189 4.171 4.340 0.034 0.000 0.248 277 R C 1.137 177.212 176.300 -0.373 0.000 1.143 277 R CA 1.826 57.753 56.100 -0.289 0.000 0.957 277 R CB -0.106 29.931 30.300 -0.437 0.000 0.867 277 R HN 0.517 nan 8.270 nan 0.000 0.441 278 H N -0.775 118.294 119.070 -0.000 0.000 2.784 278 H HA 0.151 4.727 4.556 0.033 0.000 0.273 278 H C 0.010 175.339 175.328 0.001 0.000 1.112 278 H CA -0.097 55.952 56.048 0.001 0.000 1.162 278 H CB 0.912 30.676 29.762 0.003 0.000 1.586 278 H HN 0.159 nan 8.280 nan 0.000 0.548 279 Q N 0.425 120.274 119.800 0.081 0.000 2.463 279 Q HA -0.128 4.232 4.340 0.034 0.000 0.299 279 Q C -0.183 175.851 176.000 0.055 0.000 1.353 279 Q CA 0.206 56.038 55.803 0.048 0.000 0.828 279 Q CB -2.298 26.461 28.738 0.035 0.000 1.157 279 Q HN 0.178 nan 8.270 nan 0.000 0.436 280 V N 1.928 121.882 119.914 0.067 0.000 2.540 280 V HA -0.083 4.057 4.120 0.034 0.000 0.297 280 V C 1.769 177.890 176.094 0.044 0.000 1.024 280 V CA 1.333 63.668 62.300 0.058 0.000 1.105 280 V CB 0.440 32.308 31.823 0.074 0.000 0.938 280 V HN 0.571 nan 8.190 nan 0.000 0.482 281 N N 3.860 122.581 118.700 0.036 0.000 2.205 281 N HA 0.216 4.976 4.740 0.034 0.000 0.201 281 N C 0.112 175.644 175.510 0.037 0.000 1.128 281 N CA -0.236 52.834 53.050 0.032 0.000 0.867 281 N CB 0.906 39.406 38.487 0.021 0.000 0.996 281 N HN 0.593 nan 8.380 nan 0.000 0.503 282 M N 1.320 120.943 119.600 0.038 0.000 2.378 282 M HA 0.595 5.096 4.480 0.034 0.000 0.289 282 M C -2.190 174.133 176.300 0.038 0.000 1.136 282 M CA -0.402 54.918 55.300 0.034 0.000 0.917 282 M CB 2.597 35.205 32.600 0.014 0.000 1.669 282 M HN 0.073 nan 8.290 nan 0.000 0.461 283 A N 2.138 124.978 122.820 0.033 0.000 2.556 283 A HA 0.932 5.272 4.320 0.034 0.000 0.294 283 A C -1.458 176.065 177.584 -0.100 0.000 1.091 283 A CA -0.608 51.432 52.037 0.005 0.000 0.704 283 A CB 2.059 21.132 19.000 0.121 0.000 1.300 283 A HN 0.714 nan 8.150 nan 0.000 0.406 284 S N 0.020 115.590 115.700 -0.217 0.000 2.538 284 S HA 0.829 5.319 4.470 0.034 0.000 0.288 284 S C -0.936 173.402 174.600 -0.436 0.000 1.108 284 S CA -0.453 57.521 58.200 -0.376 0.000 0.971 284 S CB 1.157 63.937 63.200 -0.700 0.000 1.041 284 S HN 0.635 nan 8.310 nan 0.000 0.483 285 L N 1.600 122.626 121.223 -0.329 0.000 2.469 285 L HA 0.649 5.009 4.340 0.034 0.000 0.256 285 L C -0.716 176.084 176.870 -0.117 0.000 1.006 285 L CA -1.272 53.378 54.840 -0.316 0.000 0.832 285 L CB 2.023 43.769 42.059 -0.523 0.000 1.421 285 L HN 0.582 nan 8.230 nan 0.000 0.410 286 V N -1.701 118.130 119.914 -0.138 0.000 2.716 286 V HA 0.435 4.575 4.120 0.034 0.000 0.304 286 V C -2.079 173.926 176.094 -0.148 0.000 1.053 286 V CA -1.427 60.814 62.300 -0.099 0.000 0.984 286 V CB 1.013 32.802 31.823 -0.056 0.000 1.021 286 V HN 0.589 nan 8.190 nan 0.000 0.467 287 P HA -0.247 nan 4.420 nan 0.000 0.217 287 P C 2.108 179.435 177.300 0.046 0.000 1.158 287 P CA 2.710 65.830 63.100 0.034 0.000 0.887 287 P CB -0.060 31.760 31.700 0.199 0.000 0.792 288 S N -0.619 115.095 115.700 0.022 0.000 2.387 288 S HA -0.229 4.261 4.470 0.034 0.000 0.230 288 S C 2.064 176.666 174.600 0.003 0.000 1.035 288 S CA 1.636 59.851 58.200 0.025 0.000 1.014 288 S CB -1.450 61.760 63.200 0.018 0.000 0.836 288 S HN 0.176 nan 8.310 nan 0.000 0.466 289 A N 1.250 124.029 122.820 -0.069 0.000 1.897 289 A HA 0.182 4.523 4.320 0.034 0.000 0.215 289 A C 2.436 179.894 177.584 -0.210 0.000 1.181 289 A CA 1.255 53.209 52.037 -0.138 0.000 0.620 289 A CB -1.068 17.774 19.000 -0.262 0.000 0.821 289 A HN 0.461 nan 8.150 nan 0.000 0.443 290 V N 0.643 120.430 119.914 -0.212 0.000 2.282 290 V HA -0.341 3.799 4.120 0.034 0.000 0.249 290 V C 2.432 178.599 176.094 0.122 0.000 1.057 290 V CA 2.312 64.554 62.300 -0.096 0.000 1.032 290 V CB -0.762 31.079 31.823 0.030 0.000 0.645 290 V HN 0.597 nan 8.190 nan 0.000 0.447 291 I N -0.890 119.757 120.570 0.129 0.000 2.208 291 I HA -0.346 3.844 4.170 0.034 0.000 0.245 291 I C 2.497 178.721 176.117 0.179 0.000 1.097 291 I CA 1.921 63.309 61.300 0.148 0.000 1.363 291 I CB -0.337 37.729 38.000 0.110 0.000 1.051 291 I HN 0.308 nan 8.210 nan 0.000 0.413 292 M N -1.156 118.560 119.600 0.193 0.000 2.296 292 M HA -0.202 4.298 4.480 0.034 0.000 0.265 292 M C 1.972 178.487 176.300 0.358 0.000 1.064 292 M CA 1.787 57.225 55.300 0.231 0.000 1.109 292 M CB -0.300 32.439 32.600 0.233 0.000 1.396 292 M HN 0.301 nan 8.290 nan 0.000 0.430 293 W N 0.356 121.723 121.300 0.112 0.000 2.481 293 W HA 0.072 4.772 4.660 0.066 0.000 0.293 293 W C 1.993 178.672 176.519 0.267 0.000 1.201 293 W CA 0.414 57.906 57.345 0.244 0.000 1.328 293 W CB -0.977 28.659 29.460 0.293 0.000 1.112 293 W HN 0.064 nan 8.180 nan 0.000 0.546 294 L N 0.359 121.831 121.223 0.414 0.000 2.043 294 L HA -0.221 4.139 4.340 0.034 0.000 0.212 294 L C 2.154 179.154 176.870 0.217 0.000 1.075 294 L CA 1.364 56.368 54.840 0.273 0.000 0.752 294 L CB -0.784 41.395 42.059 0.200 0.000 0.891 294 L HN -0.052 nan 8.230 nan 0.000 0.432 295 E N 0.116 120.433 120.200 0.196 0.000 2.478 295 E HA -0.111 4.259 4.350 0.034 0.000 0.198 295 E C 1.538 178.237 176.600 0.165 0.000 1.046 295 E CA 0.772 57.259 56.400 0.146 0.000 0.870 295 E CB 0.136 29.902 29.700 0.110 0.000 0.818 295 E HN 0.530 nan 8.360 nan 0.000 0.527 296 K N -0.752 119.790 120.400 0.236 0.000 2.450 296 K HA 0.281 4.621 4.320 0.034 0.000 0.206 296 K C 1.785 178.680 176.600 0.491 0.000 1.148 296 K CA 0.449 56.920 56.287 0.307 0.000 1.014 296 K CB 0.833 33.437 32.500 0.172 0.000 0.966 296 K HN -0.054 nan 8.250 nan 0.000 0.566 297 A N 2.097 125.168 122.820 0.417 0.000 1.978 297 A HA -0.154 4.186 4.320 0.034 0.000 0.220 297 A C 2.329 180.020 177.584 0.178 0.000 1.170 297 A CA 1.937 54.151 52.037 0.294 0.000 0.636 297 A CB -0.506 18.606 19.000 0.187 0.000 0.810 297 A HN 0.287 nan 8.150 nan 0.000 0.448 298 A N -0.072 122.830 122.820 0.137 0.000 1.863 298 A HA -0.335 4.006 4.320 0.034 0.000 0.218 298 A C 1.979 179.547 177.584 -0.027 0.000 1.233 298 A CA 2.264 54.330 52.037 0.048 0.000 0.655 298 A CB -0.923 18.101 19.000 0.040 0.000 0.839 298 A HN 0.598 nan 8.150 nan 0.000 0.454 299 Q N -1.898 117.840 119.800 -0.103 0.000 2.500 299 Q HA -0.024 4.336 4.340 0.034 0.000 0.213 299 Q C 0.282 175.894 176.000 -0.648 0.000 0.974 299 Q CA 1.191 56.744 55.803 -0.417 0.000 0.918 299 Q CB -0.251 28.115 28.738 -0.619 0.000 0.980 299 Q HN 0.887 nan 8.270 nan 0.000 0.505 300 Y N -1.816 118.512 120.300 0.046 0.000 2.707 300 Y HA 0.281 4.850 4.550 0.033 0.000 0.249 300 Y C 1.853 177.676 175.900 -0.128 0.000 1.166 300 Y CA -0.079 58.020 58.100 -0.002 0.000 1.184 300 Y CB -0.104 38.440 38.460 0.140 0.000 1.240 300 Y HN 0.050 nan 8.280 nan 0.000 0.547 301 K N 0.602 120.996 120.400 -0.009 0.000 2.107 301 K HA -0.311 4.029 4.320 0.034 0.000 0.211 301 K C 1.583 178.150 176.600 -0.056 0.000 1.049 301 K CA 2.521 58.779 56.287 -0.049 0.000 0.927 301 K CB -1.103 31.380 32.500 -0.028 0.000 0.714 301 K HN 0.454 nan 8.250 nan 0.000 0.452 302 D N -0.253 120.131 120.400 -0.027 0.000 2.123 302 D HA -0.165 4.495 4.640 0.034 0.000 0.196 302 D C 2.213 178.492 176.300 -0.035 0.000 0.992 302 D CA 1.558 55.545 54.000 -0.022 0.000 0.833 302 D CB -0.085 40.713 40.800 -0.003 0.000 0.954 302 D HN 0.680 nan 8.370 nan 0.000 0.455 303 Q N -0.856 118.927 119.800 -0.027 0.000 2.226 303 Q HA -0.047 4.313 4.340 0.034 0.000 0.204 303 Q C 1.596 177.505 176.000 -0.151 0.000 0.975 303 Q CA 1.133 56.901 55.803 -0.059 0.000 0.866 303 Q CB -0.027 28.710 28.738 -0.002 0.000 0.915 303 Q HN 0.624 nan 8.270 nan 0.000 0.440 304 I N -2.461 117.967 120.570 -0.236 0.000 3.877 304 I HA 0.121 4.312 4.170 0.034 0.000 0.332 304 I C 1.314 177.357 176.117 -0.123 0.000 1.525 304 I CA -0.354 60.794 61.300 -0.254 0.000 1.146 304 I CB 0.284 37.985 38.000 -0.499 0.000 1.137 304 I HN -0.066 nan 8.210 nan 0.000 0.424 305 Q N 1.745 121.496 119.800 -0.081 0.000 2.167 305 Q HA -0.150 4.211 4.340 0.034 0.000 0.202 305 Q C 2.045 178.033 176.000 -0.020 0.000 0.970 305 Q CA 2.111 57.890 55.803 -0.041 0.000 0.855 305 Q CB -0.882 27.839 28.738 -0.028 0.000 0.911 305 Q HN 0.645 nan 8.270 nan 0.000 0.438 306 S N 1.053 116.742 115.700 -0.019 0.000 2.402 306 S HA -0.142 4.349 4.470 0.034 0.000 0.233 306 S C 0.913 175.520 174.600 0.012 0.000 1.030 306 S CA 0.416 58.615 58.200 -0.001 0.000 1.003 306 S CB -0.972 62.230 63.200 0.003 0.000 0.813 306 S HN 0.438 nan 8.310 nan 0.000 0.477 307 L N 1.912 123.145 121.223 0.016 0.000 2.667 307 L HA 0.004 4.364 4.340 0.034 0.000 0.278 307 L C 1.412 178.305 176.870 0.038 0.000 1.217 307 L CA 0.436 55.301 54.840 0.040 0.000 0.935 307 L CB 0.228 42.325 42.059 0.062 0.000 1.193 307 L HN 0.335 nan 8.230 nan 0.000 0.493 308 K N 3.052 123.475 120.400 0.039 0.000 2.399 308 K HA 0.259 4.600 4.320 0.034 0.000 0.196 308 K C -0.618 176.008 176.600 0.043 0.000 1.103 308 K CA -0.093 56.215 56.287 0.035 0.000 0.986 308 K CB 0.712 33.227 32.500 0.024 0.000 0.952 308 K HN 0.284 nan 8.250 nan 0.000 0.541 309 L N 1.340 122.592 121.223 0.048 0.000 2.505 309 L HA 0.437 4.798 4.340 0.034 0.000 0.266 309 L C -2.046 174.858 176.870 0.058 0.000 0.954 309 L CA -0.844 54.027 54.840 0.051 0.000 0.852 309 L CB 1.868 43.948 42.059 0.036 0.000 1.282 309 L HN -0.119 nan 8.230 nan 0.000 0.403 310 L N 4.167 125.430 121.223 0.066 0.000 2.341 310 L HA 0.631 4.991 4.340 0.034 0.000 0.278 310 L C -0.918 175.980 176.870 0.046 0.000 1.005 310 L CA 0.061 54.929 54.840 0.046 0.000 0.818 310 L CB 1.869 43.959 42.059 0.053 0.000 1.259 310 L HN 0.711 nan 8.230 nan 0.000 0.418 311 Q N 4.156 123.977 119.800 0.036 0.000 2.245 311 Q HA 0.681 5.041 4.340 0.034 0.000 0.256 311 Q C -1.285 174.754 176.000 0.066 0.000 0.942 311 Q CA -0.994 54.873 55.803 0.106 0.000 0.896 311 Q CB 2.654 31.531 28.738 0.231 0.000 1.272 311 Q HN 0.470 nan 8.270 nan 0.000 0.442 312 V N 1.113 121.016 119.914 -0.018 0.000 2.487 312 V HA 0.865 5.005 4.120 0.034 0.000 0.298 312 V C 0.106 176.081 176.094 -0.198 0.000 1.028 312 V CA -0.483 61.678 62.300 -0.232 0.000 0.860 312 V CB 1.541 32.838 31.823 -0.876 0.000 0.991 312 V HN 0.955 nan 8.190 nan 0.000 0.427 313 G N 1.585 110.276 108.800 -0.182 0.000 2.645 313 G HA2 0.662 4.642 3.960 0.034 0.000 0.292 313 G HA3 0.662 4.642 3.960 0.034 0.000 0.292 313 G C 0.353 175.100 174.900 -0.254 0.000 1.415 313 G CA 0.199 45.055 45.100 -0.406 0.000 0.785 313 G HN 1.477 nan 8.290 nan 0.000 0.483 314 G N -1.728 106.948 108.800 -0.206 0.000 2.284 314 G HA2 0.407 4.387 3.960 0.034 0.000 0.216 314 G HA3 0.407 4.387 3.960 0.034 0.000 0.216 314 G C 0.480 175.386 174.900 0.010 0.000 1.009 314 G CA 1.276 46.341 45.100 -0.058 0.000 0.625 314 G HN 2.456 nan 8.290 nan 0.000 0.501 315 A N -0.866 121.951 122.820 -0.005 0.000 2.564 315 A HA 0.832 5.172 4.320 0.034 0.000 0.291 315 A C 0.148 177.753 177.584 0.034 0.000 1.102 315 A CA 0.831 52.880 52.037 0.020 0.000 0.660 315 A CB 0.386 19.406 19.000 0.033 0.000 1.283 315 A HN 1.651 nan 8.150 nan 0.000 0.430 316 S N -0.214 115.509 115.700 0.038 0.000 2.596 316 S HA 0.333 4.824 4.470 0.034 0.000 0.298 316 S C -0.899 173.807 174.600 0.176 0.000 1.255 316 S CA 0.505 58.741 58.200 0.061 0.000 1.083 316 S CB -0.704 62.511 63.200 0.025 0.000 0.837 316 S HN 0.972 nan 8.310 nan 0.000 0.499 317 F N 8.327 128.259 119.950 -0.030 0.000 2.532 317 F HA 0.455 5.007 4.527 0.041 0.000 0.365 317 F C -2.156 173.642 175.800 -0.004 0.000 1.112 317 F CA -2.466 55.529 58.000 -0.010 0.000 1.082 317 F CB 1.104 40.106 39.000 0.003 0.000 1.319 317 F HN 0.396 nan 8.300 nan 0.000 0.457 318 P HA 0.105 nan 4.420 nan 0.000 0.274 318 P C 0.688 177.774 177.300 -0.357 0.000 1.231 318 P CA -0.072 62.884 63.100 -0.240 0.000 0.790 318 P CB 1.112 32.711 31.700 -0.168 0.000 0.951 319 E N 1.510 121.587 120.200 -0.204 0.000 2.086 319 E HA -0.251 4.119 4.350 0.034 0.000 0.200 319 E C 1.593 178.030 176.600 -0.271 0.000 1.012 319 E CA 2.308 58.598 56.400 -0.182 0.000 0.812 319 E CB -0.257 29.391 29.700 -0.087 0.000 0.743 319 E HN 0.519 nan 8.360 nan 0.000 0.453 320 S N 0.104 115.664 115.700 -0.232 0.000 2.442 320 S HA -0.101 4.389 4.470 0.034 0.000 0.236 320 S C 2.036 176.481 174.600 -0.260 0.000 1.007 320 S CA 0.740 58.809 58.200 -0.218 0.000 0.965 320 S CB -0.214 62.897 63.200 -0.147 0.000 0.773 320 S HN 0.311 nan 8.310 nan 0.000 0.504 321 L N 0.545 121.548 121.223 -0.367 0.000 2.162 321 L HA 0.148 4.509 4.340 0.034 0.000 0.205 321 L C 3.058 179.671 176.870 -0.427 0.000 1.086 321 L CA 0.900 55.507 54.840 -0.388 0.000 0.778 321 L CB -0.751 41.003 42.059 -0.508 0.000 0.928 321 L HN 0.450 nan 8.230 nan 0.000 0.446 322 A N 0.522 122.944 122.820 -0.664 0.000 1.858 322 A HA -0.239 4.102 4.320 0.034 0.000 0.216 322 A C 2.247 179.718 177.584 -0.188 0.000 1.190 322 A CA 1.577 53.460 52.037 -0.256 0.000 0.617 322 A CB -0.561 18.384 19.000 -0.092 0.000 0.827 322 A HN 0.317 nan 8.150 nan 0.000 0.443 323 R N -0.453 119.650 120.500 -0.661 0.000 2.139 323 R HA -0.195 4.165 4.340 0.034 0.000 0.243 323 R C 2.260 178.290 176.300 -0.449 0.000 1.145 323 R CA 1.675 57.093 56.100 -1.136 0.000 0.976 323 R CB -0.346 29.417 30.300 -0.895 0.000 0.866 323 R HN 0.692 nan 8.270 nan 0.000 0.449 324 Q N 0.015 119.680 119.800 -0.224 0.000 2.369 324 Q HA -0.058 4.302 4.340 0.034 0.000 0.206 324 Q C 2.033 178.058 176.000 0.042 0.000 0.963 324 Q CA 0.710 56.472 55.803 -0.069 0.000 0.894 324 Q CB 0.237 28.953 28.738 -0.037 0.000 0.965 324 Q HN 0.191 nan 8.270 nan 0.000 0.475 325 V N 1.272 121.252 119.914 0.111 0.000 2.261 325 V HA -0.188 3.952 4.120 0.034 0.000 0.246 325 V C -0.871 175.328 176.094 0.175 0.000 1.047 325 V CA 1.889 64.305 62.300 0.193 0.000 1.015 325 V CB -1.277 30.714 31.823 0.279 0.000 0.642 325 V HN 0.256 nan 8.190 nan 0.000 0.446 326 P HA -0.140 nan 4.420 nan 0.000 0.215 326 P C 1.597 178.967 177.300 0.117 0.000 1.157 326 P CA 1.411 64.620 63.100 0.181 0.000 0.868 326 P CB 0.026 31.886 31.700 0.267 0.000 0.788 327 E N -0.943 119.310 120.200 0.088 0.000 2.106 327 E HA -0.080 4.290 4.350 0.034 0.000 0.192 327 E C 1.710 178.343 176.600 0.055 0.000 0.984 327 E CA 0.995 57.429 56.400 0.056 0.000 0.806 327 E CB -0.224 29.491 29.700 0.026 0.000 0.750 327 E HN 0.071 nan 8.360 nan 0.000 0.458 328 V N 0.431 120.386 119.914 0.069 0.000 3.125 328 V HA -0.019 4.121 4.120 0.034 0.000 0.249 328 V C 1.729 177.872 176.094 0.082 0.000 1.113 328 V CA 0.746 63.090 62.300 0.074 0.000 1.106 328 V CB 0.142 32.019 31.823 0.091 0.000 0.768 328 V HN 0.208 nan 8.190 nan 0.000 0.468 329 L N -0.607 120.676 121.223 0.101 0.000 2.638 329 L HA 0.326 4.687 4.340 0.034 0.000 0.232 329 L C 0.402 177.311 176.870 0.065 0.000 1.099 329 L CA 0.012 54.911 54.840 0.099 0.000 0.883 329 L CB -0.054 42.107 42.059 0.170 0.000 1.136 329 L HN 0.327 nan 8.230 nan 0.000 0.492 330 N N 1.221 119.961 118.700 0.067 0.000 2.714 330 N HA -0.170 4.590 4.740 0.034 0.000 0.253 330 N C -0.408 175.136 175.510 0.057 0.000 1.024 330 N CA 1.136 54.217 53.050 0.052 0.000 0.726 330 N CB -1.509 36.994 38.487 0.026 0.000 0.908 330 N HN 0.582 nan 8.380 nan 0.000 0.542 331 C N -2.633 116.716 119.300 0.081 0.000 3.336 331 C HA 0.678 5.158 4.460 0.034 0.000 0.339 331 C C -0.123 174.925 174.990 0.098 0.000 1.468 331 C CA -1.277 57.788 59.018 0.080 0.000 1.287 331 C CB 1.616 29.406 27.740 0.084 0.000 1.682 331 C HN 0.231 nan 8.230 nan 0.000 0.451 332 K N 0.324 120.773 120.400 0.082 0.000 2.095 332 K HA 0.711 5.051 4.320 0.034 0.000 0.252 332 K C -0.982 175.677 176.600 0.098 0.000 0.977 332 K CA -0.427 55.909 56.287 0.083 0.000 0.900 332 K CB 1.499 34.027 32.500 0.046 0.000 1.060 332 K HN 0.628 nan 8.250 nan 0.000 0.449 333 L N 1.338 122.626 121.223 0.109 0.000 2.329 333 L HA 0.337 4.697 4.340 0.034 0.000 0.279 333 L C -1.116 175.813 176.870 0.099 0.000 1.014 333 L CA 0.066 54.992 54.840 0.144 0.000 0.814 333 L CB 1.632 43.852 42.059 0.269 0.000 1.257 333 L HN 0.623 nan 8.230 nan 0.000 0.424 334 Q N 3.589 123.453 119.800 0.107 0.000 2.304 334 Q HA 0.395 4.755 4.340 0.034 0.000 0.270 334 Q C -1.561 174.510 176.000 0.119 0.000 1.035 334 Q CA -0.632 55.238 55.803 0.112 0.000 0.781 334 Q CB 1.725 30.539 28.738 0.127 0.000 1.261 334 Q HN 0.730 nan 8.270 nan 0.000 0.444 335 Q N 2.192 122.062 119.800 0.117 0.000 2.257 335 Q HA 0.460 4.820 4.340 0.034 0.000 0.255 335 Q C -1.087 174.934 176.000 0.035 0.000 0.920 335 Q CA -0.520 55.335 55.803 0.085 0.000 0.927 335 Q CB 2.140 30.962 28.738 0.140 0.000 1.229 335 Q HN 0.434 nan 8.270 nan 0.000 0.433 336 V N 4.190 124.058 119.914 -0.076 0.000 2.407 336 V HA 0.307 4.447 4.120 0.034 0.000 0.291 336 V C -0.893 175.072 176.094 -0.215 0.000 1.018 336 V CA -0.755 61.390 62.300 -0.259 0.000 0.842 336 V CB 1.057 32.647 31.823 -0.388 0.000 0.996 336 V HN 0.599 nan 8.190 nan 0.000 0.426 337 F N 4.896 124.663 119.950 -0.306 0.000 2.325 337 F HA 0.874 5.400 4.527 -0.001 0.000 0.369 337 F C 0.312 175.977 175.800 -0.224 0.000 1.095 337 F CA -1.072 56.791 58.000 -0.227 0.000 1.082 337 F CB 0.838 39.768 39.000 -0.116 0.000 1.289 337 F HN 0.541 nan 8.300 nan 0.000 0.462 338 G N 6.753 115.356 108.800 -0.329 0.000 2.605 338 G HA2 0.687 4.667 3.960 0.034 0.000 0.296 338 G HA3 0.687 4.667 3.960 0.034 0.000 0.296 338 G C -1.489 173.285 174.900 -0.210 0.000 1.304 338 G CA -1.181 43.687 45.100 -0.386 0.000 0.941 338 G HN 0.778 nan 8.290 nan 0.000 0.475 339 M N -0.041 119.465 119.600 -0.157 0.000 2.550 339 M HA 0.700 5.200 4.480 0.034 0.000 0.292 339 M C 0.590 176.859 176.300 -0.052 0.000 1.221 339 M CA -1.033 54.236 55.300 -0.051 0.000 0.873 339 M CB 2.375 34.967 32.600 -0.015 0.000 1.727 339 M HN 0.601 nan 8.290 nan 0.000 0.459 340 A N 0.637 123.419 122.820 -0.063 0.000 2.125 340 A HA -0.048 4.292 4.320 0.034 0.000 0.219 340 A C 1.472 178.939 177.584 -0.195 0.000 1.156 340 A CA 1.621 53.606 52.037 -0.087 0.000 0.671 340 A CB -0.708 18.223 19.000 -0.115 0.000 0.794 340 A HN 0.968 nan 8.150 nan 0.000 0.459 341 E N -1.424 118.570 120.200 -0.344 0.000 2.435 341 E HA 0.318 4.688 4.350 0.034 0.000 0.195 341 E C 1.275 177.632 176.600 -0.404 0.000 1.029 341 E CA 0.830 56.744 56.400 -0.811 0.000 0.865 341 E CB 0.235 29.190 29.700 -1.242 0.000 0.833 341 E HN 0.622 nan 8.360 nan 0.000 0.510 342 G N -0.111 108.605 108.800 -0.140 0.000 1.960 342 G HA2 -0.127 3.854 3.960 0.034 0.000 0.066 342 G HA3 -0.127 3.854 3.960 0.034 0.000 0.066 342 G C -0.977 173.925 174.900 0.004 0.000 0.709 342 G CA -0.511 44.574 45.100 -0.025 0.000 1.109 342 G HN 0.134 nan 8.290 nan 0.000 0.343 343 L N 2.098 123.207 121.223 -0.190 0.000 2.747 343 L HA 0.414 4.774 4.340 0.034 0.000 0.286 343 L C -0.174 176.648 176.870 -0.080 0.000 1.216 343 L CA 0.281 55.030 54.840 -0.152 0.000 0.930 343 L CB 0.199 42.149 42.059 -0.182 0.000 1.216 343 L HN 0.478 nan 8.230 nan 0.000 0.486 344 V N 5.650 125.607 119.914 0.073 0.000 2.604 344 V HA 0.510 4.651 4.120 0.034 0.000 0.305 344 V C -0.188 175.751 176.094 -0.258 0.000 1.043 344 V CA -0.913 61.268 62.300 -0.198 0.000 0.888 344 V CB 1.847 33.553 31.823 -0.195 0.000 0.995 344 V HN 0.834 nan 8.190 nan 0.000 0.429 345 N N 2.899 121.346 118.700 -0.422 0.000 2.372 345 N HA 0.578 5.338 4.740 0.034 0.000 0.291 345 N C -1.649 173.629 175.510 -0.387 0.000 1.024 345 N CA -0.328 52.574 53.050 -0.245 0.000 0.873 345 N CB 2.387 40.825 38.487 -0.081 0.000 1.206 345 N HN 0.583 nan 8.380 nan 0.000 0.486 346 Y N -0.163 120.142 120.300 0.009 0.000 2.446 346 Y HA 0.224 4.798 4.550 0.039 0.000 0.345 346 Y C 0.877 176.793 175.900 0.027 0.000 0.984 346 Y CA -0.910 57.197 58.100 0.013 0.000 1.058 346 Y CB 1.509 39.965 38.460 -0.006 0.000 1.220 346 Y HN 0.369 nan 8.280 nan 0.000 0.455 347 T N 0.962 115.625 114.554 0.180 0.000 2.907 347 T HA 0.475 4.845 4.350 0.034 0.000 0.298 347 T C 0.107 174.872 174.700 0.108 0.000 1.017 347 T CA -1.060 61.110 62.100 0.118 0.000 1.118 347 T CB 0.664 69.582 68.868 0.084 0.000 0.948 347 T HN 0.344 nan 8.240 nan 0.000 0.531 348 R N 1.636 122.173 120.500 0.063 0.000 2.549 348 R HA 0.417 4.777 4.340 0.034 0.000 0.267 348 R C 1.485 177.791 176.300 0.011 0.000 1.045 348 R CA -1.345 54.776 56.100 0.035 0.000 1.115 348 R CB 0.232 30.548 30.300 0.026 0.000 1.121 348 R HN 0.703 nan 8.270 nan 0.000 0.543 349 L N 0.849 122.070 121.223 -0.003 0.000 2.465 349 L HA -0.109 4.251 4.340 0.034 0.000 0.224 349 L C 0.952 177.814 176.870 -0.015 0.000 1.145 349 L CA 1.191 56.026 54.840 -0.009 0.000 0.834 349 L CB -0.205 41.846 42.059 -0.013 0.000 0.944 349 L HN 0.626 nan 8.230 nan 0.000 0.451 350 D N -2.949 117.444 120.400 -0.012 0.000 2.479 350 D HA 0.034 4.694 4.640 0.034 0.000 0.218 350 D C 0.168 176.458 176.300 -0.016 0.000 1.177 350 D CA -0.351 53.641 54.000 -0.013 0.000 0.830 350 D CB -0.012 40.785 40.800 -0.006 0.000 1.014 350 D HN -0.002 nan 8.370 nan 0.000 0.503 351 D N 1.424 121.813 120.400 -0.018 0.000 2.400 351 D HA 0.058 4.718 4.640 0.034 0.000 0.238 351 D C 0.727 176.997 176.300 -0.051 0.000 1.157 351 D CA 0.153 54.139 54.000 -0.023 0.000 0.889 351 D CB 1.184 41.973 40.800 -0.017 0.000 1.199 351 D HN 0.187 nan 8.370 nan 0.000 0.436 352 S N 0.969 116.643 115.700 -0.044 0.000 2.573 352 S HA -0.025 4.465 4.470 0.034 0.000 0.277 352 S C 0.775 175.298 174.600 -0.127 0.000 1.346 352 S CA -0.505 57.660 58.200 -0.058 0.000 1.034 352 S CB 0.803 63.988 63.200 -0.026 0.000 0.879 352 S HN 0.260 nan 8.310 nan 0.000 0.528 353 D N 1.141 121.450 120.400 -0.150 0.000 2.149 353 D HA -0.122 4.538 4.640 0.034 0.000 0.194 353 D C 1.928 178.112 176.300 -0.193 0.000 1.001 353 D CA 1.572 55.398 54.000 -0.290 0.000 0.849 353 D CB -0.159 40.577 40.800 -0.106 0.000 0.939 353 D HN 0.646 nan 8.370 nan 0.000 0.449 354 E N 0.513 120.703 120.200 -0.018 0.000 2.031 354 E HA -0.173 4.197 4.350 0.034 0.000 0.193 354 E C 2.206 178.826 176.600 0.034 0.000 0.994 354 E CA 0.853 57.286 56.400 0.054 0.000 0.800 354 E CB -0.316 29.414 29.700 0.050 0.000 0.752 354 E HN 0.487 nan 8.360 nan 0.000 0.447 355 Q N 0.147 119.945 119.800 -0.003 0.000 2.045 355 Q HA -0.150 4.210 4.340 0.034 0.000 0.206 355 Q C 2.422 178.423 176.000 0.001 0.000 0.991 355 Q CA 1.415 57.222 55.803 0.007 0.000 0.851 355 Q CB -0.229 28.509 28.738 -0.000 0.000 0.911 355 Q HN 0.320 nan 8.270 nan 0.000 0.418 356 I N -0.458 120.060 120.570 -0.086 0.000 2.315 356 I HA -0.224 3.967 4.170 0.034 0.000 0.248 356 I C 1.571 177.686 176.117 -0.004 0.000 1.117 356 I CA 0.966 62.201 61.300 -0.109 0.000 1.404 356 I CB -0.130 37.689 38.000 -0.301 0.000 1.071 356 I HN 0.145 nan 8.210 nan 0.000 0.419 357 F N 0.475 120.459 119.950 0.056 0.000 2.569 357 F HA -0.040 4.486 4.527 -0.002 0.000 0.295 357 F C 2.516 178.330 175.800 0.023 0.000 1.115 357 F CA 1.142 59.167 58.000 0.042 0.000 1.450 357 F CB -0.767 38.243 39.000 0.016 0.000 1.107 357 F HN 0.114 nan 8.300 nan 0.000 0.563 358 T N -4.349 110.317 114.554 0.186 0.000 3.003 358 T HA 0.206 4.576 4.350 0.034 0.000 0.261 358 T C 0.694 175.441 174.700 0.078 0.000 1.003 358 T CA 0.482 62.648 62.100 0.110 0.000 0.917 358 T CB -0.399 68.519 68.868 0.084 0.000 1.084 358 T HN 0.118 nan 8.240 nan 0.000 0.522 359 T N -0.441 114.165 114.554 0.086 0.000 2.910 359 T HA 0.609 4.979 4.350 0.034 0.000 0.287 359 T C -0.462 174.293 174.700 0.091 0.000 1.050 359 T CA -0.721 61.422 62.100 0.071 0.000 1.011 359 T CB 2.084 70.990 68.868 0.062 0.000 1.195 359 T HN -0.129 nan 8.240 nan 0.000 0.540 360 Q N 0.429 120.281 119.800 0.086 0.000 2.225 360 Q HA 0.538 4.898 4.340 0.034 0.000 0.259 360 Q C 0.984 177.059 176.000 0.126 0.000 0.872 360 Q CA 0.590 56.460 55.803 0.113 0.000 1.042 360 Q CB 0.204 29.011 28.738 0.115 0.000 1.142 360 Q HN 1.285 nan 8.270 nan 0.000 0.463 361 G N 1.284 110.146 108.800 0.104 0.000 2.645 361 G HA2 -0.291 3.689 3.960 0.034 0.000 0.239 361 G HA3 -0.291 3.689 3.960 0.034 0.000 0.239 361 G C -0.500 174.462 174.900 0.104 0.000 1.331 361 G CA -0.205 44.956 45.100 0.101 0.000 0.890 361 G HN 0.467 nan 8.290 nan 0.000 0.572 362 R N -1.316 119.245 120.500 0.102 0.000 2.855 362 R HA 0.733 5.094 4.340 0.034 0.000 0.266 362 R C -3.163 173.196 176.300 0.097 0.000 1.034 362 R CA -1.897 54.260 56.100 0.095 0.000 0.944 362 R CB 1.246 31.598 30.300 0.087 0.000 1.219 362 R HN 0.425 nan 8.270 nan 0.000 0.474 363 P HA 0.096 nan 4.420 nan 0.000 0.270 363 P C 0.642 178.024 177.300 0.135 0.000 1.223 363 P CA -0.161 63.001 63.100 0.104 0.000 0.785 363 P CB 0.508 32.269 31.700 0.102 0.000 0.923 364 I N -0.724 119.944 120.570 0.163 0.000 2.264 364 I HA -0.186 4.004 4.170 0.034 0.000 0.248 364 I C 1.089 177.234 176.117 0.048 0.000 1.111 364 I CA 1.834 63.178 61.300 0.073 0.000 1.382 364 I CB -0.117 37.818 38.000 -0.108 0.000 1.060 364 I HN 0.299 nan 8.210 nan 0.000 0.418 365 S N -0.772 115.000 115.700 0.120 0.000 2.594 365 S HA 0.209 4.699 4.470 0.034 0.000 0.296 365 S C 1.013 175.678 174.600 0.107 0.000 1.124 365 S CA -0.336 57.917 58.200 0.089 0.000 1.011 365 S CB 1.447 64.699 63.200 0.087 0.000 1.016 365 S HN 0.299 nan 8.310 nan 0.000 0.485 366 S N 2.734 118.512 115.700 0.131 0.000 2.440 366 S HA -0.119 4.372 4.470 0.034 0.000 0.240 366 S C 0.701 175.408 174.600 0.179 0.000 1.014 366 S CA 1.316 59.609 58.200 0.156 0.000 0.980 366 S CB -0.287 63.019 63.200 0.176 0.000 0.775 366 S HN 0.789 nan 8.310 nan 0.000 0.499 367 D N 1.499 122.014 120.400 0.191 0.000 2.325 367 D HA 0.119 4.780 4.640 0.034 0.000 0.225 367 D C -0.676 175.709 176.300 0.141 0.000 1.096 367 D CA 0.076 54.212 54.000 0.226 0.000 0.844 367 D CB -0.031 41.000 40.800 0.384 0.000 0.925 367 D HN 0.420 nan 8.370 nan 0.000 0.513 368 D N 1.977 122.439 120.400 0.103 0.000 2.338 368 D HA 0.091 4.751 4.640 0.034 0.000 0.255 368 D C 0.192 176.552 176.300 0.100 0.000 1.237 368 D CA 0.452 54.495 54.000 0.071 0.000 0.883 368 D CB 0.862 41.707 40.800 0.075 0.000 1.087 368 D HN 0.112 nan 8.370 nan 0.000 0.485 369 E N 1.851 122.116 120.200 0.108 0.000 2.216 369 E HA 0.497 4.868 4.350 0.034 0.000 0.279 369 E C -0.143 176.588 176.600 0.219 0.000 0.997 369 E CA -0.447 56.055 56.400 0.169 0.000 0.817 369 E CB 1.783 31.587 29.700 0.173 0.000 1.096 369 E HN 0.346 nan 8.360 nan 0.000 0.393 370 I N 2.919 123.610 120.570 0.202 0.000 2.499 370 I HA 0.280 4.470 4.170 0.034 0.000 0.288 370 I C -0.634 175.533 176.117 0.084 0.000 1.048 370 I CA -0.676 60.713 61.300 0.149 0.000 1.062 370 I CB 1.629 39.686 38.000 0.094 0.000 1.238 370 I HN 0.240 nan 8.210 nan 0.000 0.426 371 K N 6.948 127.336 120.400 -0.020 0.000 2.292 371 K HA 0.649 4.989 4.320 0.034 0.000 0.257 371 K C -1.015 175.538 176.600 -0.079 0.000 0.940 371 K CA -0.609 55.614 56.287 -0.107 0.000 0.811 371 K CB 2.442 34.768 32.500 -0.291 0.000 1.120 371 K HN 0.463 nan 8.250 nan 0.000 0.428 372 I N 4.221 124.767 120.570 -0.039 0.000 2.328 372 I HA 0.228 4.418 4.170 0.034 0.000 0.287 372 I C 0.011 176.109 176.117 -0.031 0.000 1.012 372 I CA -0.971 60.313 61.300 -0.027 0.000 1.195 372 I CB 0.989 38.986 38.000 -0.005 0.000 1.350 372 I HN 0.325 nan 8.210 nan 0.000 0.464 373 V N 2.069 121.963 119.914 -0.033 0.000 3.126 373 V HA 0.711 4.851 4.120 0.034 0.000 0.314 373 V C -0.805 175.230 176.094 -0.097 0.000 1.138 373 V CA -0.796 61.478 62.300 -0.042 0.000 1.034 373 V CB 2.089 33.915 31.823 0.004 0.000 1.075 373 V HN 0.721 nan 8.190 nan 0.000 0.442 374 D N -0.494 119.828 120.400 -0.130 0.000 2.494 374 D HA 0.405 5.065 4.640 0.034 0.000 0.259 374 D C 0.652 176.792 176.300 -0.268 0.000 1.109 374 D CA -0.464 53.447 54.000 -0.148 0.000 1.040 374 D CB 0.967 41.715 40.800 -0.086 0.000 1.175 374 D HN 0.542 nan 8.370 nan 0.000 0.584 375 E N -1.255 118.820 120.200 -0.208 0.000 2.208 375 E HA -0.211 4.160 4.350 0.034 0.000 0.202 375 E C 1.205 177.668 176.600 -0.227 0.000 1.014 375 E CA 1.647 57.912 56.400 -0.226 0.000 0.819 375 E CB -0.404 29.233 29.700 -0.105 0.000 0.735 375 E HN 0.371 nan 8.360 nan 0.000 0.469 376 Q N -0.958 118.765 119.800 -0.129 0.000 2.201 376 Q HA 0.158 4.519 4.340 0.034 0.000 0.217 376 Q C -0.596 175.483 176.000 0.132 0.000 0.860 376 Q CA -0.176 55.644 55.803 0.028 0.000 0.984 376 Q CB -0.853 27.901 28.738 0.028 0.000 1.095 376 Q HN 0.556 nan 8.270 nan 0.000 0.477 377 Y N -0.579 119.715 120.300 -0.008 0.000 3.491 377 Y HA -0.319 4.252 4.550 0.034 0.000 0.215 377 Y C 0.514 176.418 175.900 0.007 0.000 1.219 377 Y CA 0.467 58.573 58.100 0.010 0.000 1.485 377 Y CB -1.616 36.841 38.460 -0.005 0.000 1.450 377 Y HN 0.253 nan 8.280 nan 0.000 0.603 378 R N 0.486 121.017 120.500 0.051 0.000 2.460 378 R HA 0.372 4.732 4.340 0.034 0.000 0.303 378 R C 0.082 176.384 176.300 0.005 0.000 0.968 378 R CA -1.065 55.054 56.100 0.033 0.000 0.889 378 R CB 1.025 31.338 30.300 0.022 0.000 1.123 378 R HN 0.220 nan 8.270 nan 0.000 0.455 379 E N 1.652 121.854 120.200 0.003 0.000 2.465 379 E HA -0.028 4.343 4.350 0.034 0.000 0.260 379 E C -0.018 176.577 176.600 -0.008 0.000 0.980 379 E CA -0.042 56.353 56.400 -0.009 0.000 0.927 379 E CB 0.661 30.356 29.700 -0.008 0.000 0.934 379 E HN 0.308 nan 8.360 nan 0.000 0.459 380 V N 2.219 122.126 119.914 -0.012 0.000 3.003 380 V HA 0.378 4.518 4.120 0.034 0.000 0.305 380 V C -2.099 173.993 176.094 -0.004 0.000 1.078 380 V CA -1.814 60.480 62.300 -0.011 0.000 1.083 380 V CB 0.379 32.193 31.823 -0.015 0.000 1.039 380 V HN 0.565 nan 8.190 nan 0.000 0.481 381 P HA 0.338 nan 4.420 nan 0.000 0.268 381 P C 0.051 177.354 177.300 0.004 0.000 1.205 381 P CA 0.704 63.805 63.100 0.002 0.000 0.771 381 P CB 0.026 31.727 31.700 0.001 0.000 0.858 382 E N 1.183 121.388 120.200 0.008 0.000 2.481 382 E HA 0.334 4.704 4.350 0.034 0.000 0.263 382 E C 1.402 178.008 176.600 0.010 0.000 0.992 382 E CA 0.323 56.730 56.400 0.012 0.000 0.938 382 E CB -0.861 28.849 29.700 0.016 0.000 0.933 382 E HN 0.904 nan 8.360 nan 0.000 0.453 383 G N 1.311 110.117 108.800 0.010 0.000 2.234 383 G HA2 -0.214 3.766 3.960 0.034 0.000 0.235 383 G HA3 -0.214 3.766 3.960 0.034 0.000 0.235 383 G C 0.440 175.342 174.900 0.002 0.000 0.997 383 G CA 0.326 45.431 45.100 0.008 0.000 0.623 383 G HN 0.725 nan 8.290 nan 0.000 0.514 384 E N 0.172 120.372 120.200 -0.001 0.000 2.312 384 E HA 0.552 4.922 4.350 0.034 0.000 0.259 384 E C 0.341 176.935 176.600 -0.010 0.000 1.122 384 E CA -0.618 55.778 56.400 -0.006 0.000 0.922 384 E CB 1.322 31.017 29.700 -0.008 0.000 1.109 384 E HN 0.385 nan 8.360 nan 0.000 0.442 385 I N 0.702 121.263 120.570 -0.016 0.000 2.428 385 I HA 0.347 4.537 4.170 0.034 0.000 0.289 385 I C 0.751 176.852 176.117 -0.026 0.000 1.019 385 I CA 0.251 61.538 61.300 -0.021 0.000 1.351 385 I CB 1.114 39.099 38.000 -0.025 0.000 1.412 385 I HN 0.513 nan 8.210 nan 0.000 0.513 386 G N 5.329 114.113 108.800 -0.027 0.000 2.682 386 G HA2 0.570 4.550 3.960 0.034 0.000 0.303 386 G HA3 0.570 4.550 3.960 0.034 0.000 0.303 386 G C -1.200 173.683 174.900 -0.029 0.000 1.341 386 G CA -0.974 44.104 45.100 -0.037 0.000 0.784 386 G HN 0.371 nan 8.290 nan 0.000 0.497 387 M N 0.425 120.006 119.600 -0.032 0.000 2.249 387 M HA 0.401 4.902 4.480 0.034 0.000 0.351 387 M C -0.371 175.925 176.300 -0.006 0.000 1.180 387 M CA -0.580 54.719 55.300 -0.003 0.000 1.127 387 M CB 1.601 34.215 32.600 0.024 0.000 1.546 387 M HN 0.320 nan 8.290 nan 0.000 0.461 388 L N 2.961 124.182 121.223 -0.002 0.000 2.319 388 L HA 0.580 4.940 4.340 0.034 0.000 0.280 388 L C -0.486 176.264 176.870 -0.199 0.000 1.099 388 L CA 0.301 55.123 54.840 -0.030 0.000 0.828 388 L CB 0.395 42.495 42.059 0.068 0.000 1.150 388 L HN 0.798 nan 8.230 nan 0.000 0.442 389 A N 3.554 126.203 122.820 -0.286 0.000 2.371 389 A HA 0.804 5.144 4.320 0.034 0.000 0.311 389 A C -0.470 177.071 177.584 -0.072 0.000 1.068 389 A CA -0.408 51.294 52.037 -0.558 0.000 0.744 389 A CB 1.668 20.009 19.000 -1.099 0.000 1.239 389 A HN 0.637 nan 8.150 nan 0.000 0.435 390 T N 0.604 115.213 114.554 0.093 0.000 2.868 390 T HA 0.793 5.163 4.350 0.034 0.000 0.306 390 T C -1.348 173.415 174.700 0.106 0.000 1.224 390 T CA -0.600 61.617 62.100 0.196 0.000 1.012 390 T CB 1.156 70.073 68.868 0.081 0.000 1.221 390 T HN 1.329 nan 8.240 nan 0.000 0.499 391 R N 0.963 121.440 120.500 -0.038 0.000 2.664 391 R HA 0.722 5.082 4.340 0.034 0.000 0.260 391 R C -0.919 175.374 176.300 -0.012 0.000 1.062 391 R CA -0.951 55.104 56.100 -0.075 0.000 0.902 391 R CB 0.935 31.044 30.300 -0.319 0.000 1.258 391 R HN 1.018 nan 8.270 nan 0.000 0.465 392 G N 1.054 109.907 108.800 0.089 0.000 2.495 392 G HA2 0.430 4.411 3.960 0.034 0.000 0.294 392 G HA3 0.430 4.411 3.960 0.034 0.000 0.294 392 G C -2.723 172.169 174.900 -0.013 0.000 1.397 392 G CA -0.942 44.159 45.100 0.002 0.000 0.790 392 G HN 0.331 nan 8.290 nan 0.000 0.486 393 P HA 0.068 nan 4.420 nan 0.000 0.237 393 P C 0.227 177.661 177.300 0.223 0.000 1.178 393 P CA 0.993 63.616 63.100 -0.796 0.000 0.766 393 P CB -0.197 30.807 31.700 -1.159 0.000 0.876 394 Y N -4.216 116.266 120.300 0.302 0.000 2.825 394 Y HA 0.453 5.020 4.550 0.028 0.000 0.259 394 Y C -0.226 175.925 175.900 0.418 0.000 1.113 394 Y CA -0.779 57.578 58.100 0.429 0.000 1.241 394 Y CB -0.572 38.080 38.460 0.320 0.000 1.331 394 Y HN -0.378 nan 8.280 nan 0.000 0.570 395 T N 4.830 119.417 114.554 0.055 0.000 2.743 395 T HA 0.314 4.684 4.350 0.034 0.000 0.293 395 T C 0.014 174.892 174.700 0.296 0.000 0.945 395 T CA -0.621 61.544 62.100 0.108 0.000 1.030 395 T CB 0.107 68.981 68.868 0.009 0.000 0.912 395 T HN 0.404 nan 8.240 nan 0.000 0.483 396 F N 0.625 120.527 119.950 -0.080 0.000 2.587 396 F HA 0.248 4.797 4.527 0.038 0.000 0.319 396 F C 0.723 176.335 175.800 -0.314 0.000 1.253 396 F CA -0.782 57.083 58.000 -0.225 0.000 1.345 396 F CB 0.213 39.086 39.000 -0.212 0.000 1.172 396 F HN 0.433 nan 8.300 nan 0.000 0.588 397 C N 1.389 120.155 119.300 -0.890 0.000 3.491 397 C HA 0.687 5.167 4.460 0.034 0.000 0.298 397 C C 0.562 174.697 174.990 -1.425 0.000 1.424 397 C CA 0.057 58.389 59.018 -1.143 0.000 1.772 397 C CB -0.712 26.466 27.740 -0.936 0.000 2.447 397 C HN 1.132 nan 8.230 nan 0.000 0.670 398 G N -0.699 107.366 108.800 -1.226 0.000 2.404 398 G HA2 0.432 4.412 3.960 0.034 0.000 0.298 398 G HA3 0.432 4.412 3.960 0.034 0.000 0.298 398 G C -1.565 173.249 174.900 -0.143 0.000 1.577 398 G CA -0.555 44.117 45.100 -0.714 0.000 0.847 398 G HN 0.069 nan 8.290 nan 0.000 0.598 399 Y N -0.200 120.288 120.300 0.313 0.000 2.314 399 Y HA 0.393 4.962 4.550 0.032 0.000 0.334 399 Y C 0.783 176.866 175.900 0.306 0.000 1.266 399 Y CA 0.019 58.373 58.100 0.424 0.000 1.391 399 Y CB 0.671 39.381 38.460 0.416 0.000 1.306 399 Y HN 0.595 nan 8.280 nan 0.000 0.558 400 Y N 2.506 123.007 120.300 0.335 0.000 2.620 400 Y HA -0.025 4.545 4.550 0.033 0.000 0.330 400 Y C 0.351 176.340 175.900 0.147 0.000 1.186 400 Y CA -0.597 57.633 58.100 0.217 0.000 1.467 400 Y CB -0.061 38.464 38.460 0.108 0.000 1.262 400 Y HN 0.667 nan 8.280 nan 0.000 0.550 401 Q N 3.470 123.091 119.800 -0.299 0.000 2.447 401 Q HA -0.207 4.154 4.340 0.034 0.000 0.348 401 Q C -0.587 175.367 176.000 -0.076 0.000 1.421 401 Q CA 1.216 56.834 55.803 -0.310 0.000 0.978 401 Q CB -1.551 26.878 28.738 -0.514 0.000 1.191 401 Q HN 0.660 nan 8.270 nan 0.000 0.371 402 S N -1.083 114.636 115.700 0.032 0.000 2.612 402 S HA 0.176 4.667 4.470 0.034 0.000 0.203 402 S C -2.034 172.648 174.600 0.135 0.000 0.965 402 S CA -0.592 57.676 58.200 0.113 0.000 1.157 402 S CB 0.844 64.181 63.200 0.228 0.000 1.526 402 S HN 0.216 nan 8.310 nan 0.000 0.423 403 P HA -0.019 nan 4.420 nan 0.000 0.218 403 P C 1.570 178.914 177.300 0.073 0.000 1.149 403 P CA 1.465 64.593 63.100 0.047 0.000 0.817 403 P CB 0.180 31.883 31.700 0.005 0.000 0.785 404 E N -0.328 119.923 120.200 0.085 0.000 2.046 404 E HA -0.243 4.127 4.350 0.034 0.000 0.190 404 E C 2.004 178.689 176.600 0.141 0.000 0.982 404 E CA 1.581 58.034 56.400 0.087 0.000 0.800 404 E CB -1.910 27.832 29.700 0.070 0.000 0.756 404 E HN 0.379 nan 8.360 nan 0.000 0.449 405 H N 1.286 120.411 119.070 0.092 0.000 2.353 405 H HA -0.067 4.508 4.556 0.032 0.000 0.300 405 H C 2.070 177.545 175.328 0.245 0.000 1.090 405 H CA 1.876 58.006 56.048 0.137 0.000 1.327 405 H CB 0.009 29.832 29.762 0.101 0.000 1.383 405 H HN 0.330 nan 8.280 nan 0.000 0.508 406 N N -0.047 118.821 118.700 0.280 0.000 2.137 406 N HA -0.173 4.587 4.740 0.034 0.000 0.190 406 N C 1.962 177.622 175.510 0.250 0.000 1.017 406 N CA 1.654 54.893 53.050 0.315 0.000 0.859 406 N CB -0.551 38.042 38.487 0.176 0.000 1.002 406 N HN 0.577 nan 8.380 nan 0.000 0.428 407 S N 0.171 115.941 115.700 0.117 0.000 2.489 407 S HA 0.011 4.501 4.470 0.034 0.000 0.228 407 S C 1.503 176.121 174.600 0.029 0.000 0.995 407 S CA 0.346 58.590 58.200 0.075 0.000 0.934 407 S CB -0.007 63.210 63.200 0.029 0.000 0.771 407 S HN 0.278 nan 8.310 nan 0.000 0.522 408 Q N 1.109 120.900 119.800 -0.015 0.000 2.331 408 Q HA 0.097 4.457 4.340 0.034 0.000 0.203 408 Q C 2.141 178.083 176.000 -0.097 0.000 0.944 408 Q CA 1.375 57.132 55.803 -0.076 0.000 0.892 408 Q CB -0.239 28.436 28.738 -0.105 0.000 0.983 408 Q HN 0.744 nan 8.270 nan 0.000 0.482 409 V N -4.446 115.445 119.914 -0.038 0.000 3.556 409 V HA 0.346 4.486 4.120 0.034 0.000 0.287 409 V C 0.216 176.283 176.094 -0.044 0.000 1.422 409 V CA -0.219 62.059 62.300 -0.037 0.000 1.038 409 V CB -0.147 31.689 31.823 0.022 0.000 0.850 409 V HN -0.085 nan 8.190 nan 0.000 0.437 410 F N 2.605 122.646 119.950 0.152 0.000 2.492 410 F HA 0.723 5.271 4.527 0.036 0.000 0.327 410 F C 0.318 176.186 175.800 0.113 0.000 1.079 410 F CA -0.910 57.208 58.000 0.197 0.000 0.967 410 F CB 1.535 40.584 39.000 0.082 0.000 1.169 410 F HN 0.224 nan 8.300 nan 0.000 0.472 411 D N 0.331 120.983 120.400 0.419 0.000 2.529 411 D HA 0.231 4.891 4.640 0.034 0.000 0.273 411 D C 0.641 177.057 176.300 0.192 0.000 1.197 411 D CA -0.499 53.630 54.000 0.216 0.000 1.070 411 D CB 0.501 41.470 40.800 0.282 0.000 1.134 411 D HN 0.430 nan 8.370 nan 0.000 0.590 412 E N -0.394 119.868 120.200 0.103 0.000 2.118 412 E HA -0.123 4.248 4.350 0.034 0.000 0.195 412 E C 0.860 177.528 176.600 0.114 0.000 0.992 412 E CA 1.409 57.854 56.400 0.075 0.000 0.804 412 E CB -0.354 29.368 29.700 0.037 0.000 0.741 412 E HN 0.434 nan 8.360 nan 0.000 0.458 413 D N -0.244 120.272 120.400 0.195 0.000 2.349 413 D HA 0.034 4.695 4.640 0.034 0.000 0.224 413 D C -0.330 176.104 176.300 0.224 0.000 1.029 413 D CA 0.212 54.353 54.000 0.234 0.000 0.879 413 D CB -0.245 40.780 40.800 0.375 0.000 0.906 413 D HN 0.243 nan 8.370 nan 0.000 0.528 414 N N -1.407 117.444 118.700 0.251 0.000 2.882 414 N HA -0.218 4.542 4.740 0.034 0.000 0.249 414 N C -0.861 174.848 175.510 0.332 0.000 1.079 414 N CA 0.080 53.266 53.050 0.226 0.000 0.800 414 N CB -1.468 37.019 38.487 0.000 0.000 1.124 414 N HN 0.255 nan 8.380 nan 0.000 0.557 415 Y N 0.375 120.848 120.300 0.288 0.000 2.346 415 Y HA 0.242 4.811 4.550 0.031 0.000 0.330 415 Y C 0.434 176.406 175.900 0.119 0.000 1.178 415 Y CA -0.092 58.100 58.100 0.154 0.000 1.331 415 Y CB 0.407 38.852 38.460 -0.026 0.000 1.253 415 Y HN 0.117 nan 8.280 nan 0.000 0.529 416 Y N 3.650 123.895 120.300 -0.092 0.000 2.320 416 Y HA 0.349 4.917 4.550 0.030 0.000 0.334 416 Y C -1.500 174.243 175.900 -0.261 0.000 1.055 416 Y CA -1.589 56.227 58.100 -0.472 0.000 1.143 416 Y CB 0.291 38.457 38.460 -0.490 0.000 1.193 416 Y HN 0.500 nan 8.280 nan 0.000 0.477 417 Y N 4.941 124.782 120.300 -0.765 0.000 2.518 417 Y HA 0.161 4.732 4.550 0.035 0.000 0.344 417 Y C 1.497 176.889 175.900 -0.847 0.000 0.982 417 Y CA -0.094 57.673 58.100 -0.555 0.000 1.234 417 Y CB 1.045 39.374 38.460 -0.219 0.000 1.114 417 Y HN 0.789 nan 8.280 nan 0.000 0.515 418 S N 1.207 116.538 115.700 -0.615 0.000 2.474 418 S HA 0.018 4.509 4.470 0.034 0.000 0.235 418 S C 1.760 176.348 174.600 -0.020 0.000 0.997 418 S CA 0.598 58.637 58.200 -0.268 0.000 0.949 418 S CB -0.256 62.974 63.200 0.050 0.000 0.766 418 S HN 1.179 nan 8.310 nan 0.000 0.517 419 G N 0.827 109.623 108.800 -0.007 0.000 2.141 419 G HA2 -0.179 3.802 3.960 0.034 0.000 0.242 419 G HA3 -0.179 3.802 3.960 0.034 0.000 0.242 419 G C -0.439 174.487 174.900 0.044 0.000 0.982 419 G CA 0.092 45.216 45.100 0.039 0.000 0.662 419 G HN 0.554 nan 8.290 nan 0.000 0.527 420 D N 0.027 120.462 120.400 0.058 0.000 2.304 420 D HA 0.483 5.143 4.640 0.034 0.000 0.247 420 D C 0.687 176.991 176.300 0.007 0.000 1.089 420 D CA 0.010 54.035 54.000 0.042 0.000 0.910 420 D CB 1.348 42.220 40.800 0.120 0.000 1.199 420 D HN 0.198 nan 8.370 nan 0.000 0.426 421 L N 2.110 123.312 121.223 -0.035 0.000 2.272 421 L HA 0.381 4.741 4.340 0.034 0.000 0.289 421 L C 0.227 177.057 176.870 -0.066 0.000 1.032 421 L CA -0.670 54.146 54.840 -0.040 0.000 0.810 421 L CB 1.403 43.437 42.059 -0.041 0.000 1.205 421 L HN 0.158 nan 8.230 nan 0.000 0.422 422 V N 1.285 121.176 119.914 -0.038 0.000 3.158 422 V HA 0.755 4.895 4.120 0.034 0.000 0.311 422 V C -1.119 174.965 176.094 -0.017 0.000 1.181 422 V CA -0.675 61.602 62.300 -0.039 0.000 1.054 422 V CB 1.962 33.796 31.823 0.018 0.000 1.085 422 V HN 0.869 nan 8.190 nan 0.000 0.446 423 Q N 0.825 120.620 119.800 -0.009 0.000 2.309 423 Q HA 0.554 4.914 4.340 0.034 0.000 0.273 423 Q C -1.292 174.719 176.000 0.019 0.000 1.040 423 Q CA -0.859 54.945 55.803 0.003 0.000 0.834 423 Q CB 2.701 31.436 28.738 -0.006 0.000 1.345 423 Q HN 0.837 nan 8.270 nan 0.000 0.414 424 R N 1.442 121.957 120.500 0.025 0.000 2.389 424 R HA 0.272 4.633 4.340 0.034 0.000 0.295 424 R C -0.262 176.054 176.300 0.027 0.000 1.075 424 R CA 0.435 56.556 56.100 0.034 0.000 1.005 424 R CB 0.953 31.275 30.300 0.037 0.000 0.987 424 R HN 0.825 nan 8.270 nan 0.000 0.452 425 T N 1.315 115.888 114.554 0.031 0.000 2.928 425 T HA 0.309 4.679 4.350 0.034 0.000 0.284 425 T C -1.486 173.231 174.700 0.028 0.000 1.008 425 T CA -1.862 60.254 62.100 0.027 0.000 1.057 425 T CB 1.601 70.487 68.868 0.029 0.000 1.018 425 T HN 0.422 nan 8.240 nan 0.000 0.493 426 P HA -0.211 nan 4.420 nan 0.000 0.217 426 P C 0.876 178.193 177.300 0.027 0.000 1.151 426 P CA 1.809 64.923 63.100 0.024 0.000 0.849 426 P CB -0.269 31.443 31.700 0.021 0.000 0.787 427 D N -1.888 118.529 120.400 0.028 0.000 2.392 427 D HA 0.049 4.709 4.640 0.034 0.000 0.228 427 D C 1.495 177.816 176.300 0.036 0.000 1.003 427 D CA 1.062 55.080 54.000 0.030 0.000 0.917 427 D CB -0.684 40.133 40.800 0.028 0.000 0.890 427 D HN 0.313 nan 8.370 nan 0.000 0.532 428 G N -0.712 108.112 108.800 0.040 0.000 2.254 428 G HA2 -0.294 3.686 3.960 0.034 0.000 0.225 428 G HA3 -0.294 3.686 3.960 0.034 0.000 0.225 428 G C 0.373 175.307 174.900 0.056 0.000 1.003 428 G CA -0.028 45.100 45.100 0.047 0.000 0.622 428 G HN 0.376 nan 8.290 nan 0.000 0.507 429 N N 0.054 118.787 118.700 0.055 0.000 2.294 429 N HA 0.687 5.447 4.740 0.034 0.000 0.248 429 N C 0.200 175.752 175.510 0.070 0.000 1.300 429 N CA 0.129 53.219 53.050 0.066 0.000 0.925 429 N CB 0.302 38.827 38.487 0.062 0.000 1.188 429 N HN 0.378 nan 8.380 nan 0.000 0.512 430 L N 0.271 121.546 121.223 0.087 0.000 2.386 430 L HA 0.491 4.851 4.340 0.034 0.000 0.271 430 L C -0.003 176.901 176.870 0.057 0.000 0.993 430 L CA -0.664 54.231 54.840 0.091 0.000 0.819 430 L CB 2.228 44.389 42.059 0.171 0.000 1.294 430 L HN 0.294 nan 8.230 nan 0.000 0.414 431 R N 2.045 122.551 120.500 0.009 0.000 2.310 431 R HA 0.522 4.882 4.340 0.034 0.000 0.324 431 R C -1.133 175.094 176.300 -0.121 0.000 0.955 431 R CA -0.602 55.476 56.100 -0.037 0.000 0.830 431 R CB 1.680 31.968 30.300 -0.019 0.000 1.154 431 R HN 0.394 nan 8.270 nan 0.000 0.458 432 V N 5.221 124.989 119.914 -0.244 0.000 2.572 432 V HA 0.038 4.179 4.120 0.034 0.000 0.291 432 V C 0.781 176.757 176.094 -0.196 0.000 1.039 432 V CA 0.163 62.238 62.300 -0.375 0.000 1.055 432 V CB 1.499 32.929 31.823 -0.655 0.000 0.969 432 V HN 0.709 nan 8.190 nan 0.000 0.482 433 V N 2.819 122.639 119.914 -0.156 0.000 3.431 433 V HA 0.575 4.715 4.120 0.034 0.000 0.255 433 V C 0.832 176.881 176.094 -0.074 0.000 1.403 433 V CA 1.162 63.407 62.300 -0.092 0.000 1.101 433 V CB 0.740 32.522 31.823 -0.068 0.000 0.891 433 V HN 1.073 nan 8.190 nan 0.000 0.446 434 G N 0.145 108.895 108.800 -0.082 0.000 2.435 434 G HA2 0.551 4.531 3.960 0.034 0.000 0.228 434 G HA3 0.551 4.531 3.960 0.034 0.000 0.228 434 G C -1.581 173.289 174.900 -0.051 0.000 1.198 434 G CA -0.341 44.724 45.100 -0.057 0.000 0.948 434 G HN 0.188 nan 8.290 nan 0.000 0.487 435 R N -1.232 119.252 120.500 -0.026 0.000 2.680 435 R HA 0.780 5.141 4.340 0.034 0.000 0.269 435 R C -2.085 174.214 176.300 -0.002 0.000 1.026 435 R CA -0.561 55.535 56.100 -0.007 0.000 0.889 435 R CB 1.827 32.129 30.300 0.003 0.000 1.241 435 R HN 0.947 nan 8.270 nan 0.000 0.463 436 I N 1.418 121.993 120.570 0.008 0.000 2.722 436 I HA 0.416 4.606 4.170 0.034 0.000 0.295 436 I C -0.793 175.336 176.117 0.019 0.000 1.161 436 I CA -0.824 60.479 61.300 0.005 0.000 1.032 436 I CB 1.833 39.828 38.000 -0.009 0.000 1.244 436 I HN 0.628 nan 8.210 nan 0.000 0.421 437 K N 4.123 124.533 120.400 0.017 0.000 2.518 437 K HA 0.004 4.344 4.320 0.034 0.000 0.276 437 K C -0.492 176.126 176.600 0.030 0.000 0.974 437 K CA 0.071 56.374 56.287 0.027 0.000 0.986 437 K CB 0.366 32.878 32.500 0.019 0.000 0.901 437 K HN 0.522 nan 8.250 nan 0.000 0.497 438 D N 0.000 120.428 120.400 0.046 0.000 6.856 438 D HA 0.000 4.660 4.640 0.034 0.000 0.175 438 D CA 0.000 54.025 54.000 0.042 0.000 0.868 438 D CB 0.000 40.843 40.800 0.071 0.000 0.688 438 D HN 0.000 nan 8.370 nan 0.000 0.683