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 2nuu_1_A DATA FIRST_RESID -2 DATA SEQUENCE HHHHHAVADK ADNAFMMICT ALVLFMTIPG IALFYGGLIR GKNVLSMLTQ DATA SEQUENCE VTVTFALVCI LWVVYGYSLA FGEGNNFFGN INWLMLKNIE LTAVMGSIYQ DATA SEQUENCE YIHVAFQGSF ACITVGLIVG ALAERIRFSA VLIFVVVWLT LSYIPIAHMV DATA SEQUENCE WGGGLLASHG ALDFAGGTVV HINAAIAGLV GAYLIGKRVG FGKEAFKPHN DATA SEQUENCE LPMVFTGTAI LYIGWFGFNA GSAGTANEIA ALAFVNTVVA TAAAILGWIF DATA SEQUENCE GEWALRGKPS LLGACSGAIA GLVGVTPACG YIGVGGALII GVVAGLAGLW DATA SEQUENCE GVTMLKRLLR VDDPCDVFGV HGVCGIVGCI MTGIFAASSL GGVGFAEGVT DATA SEQUENCE MGHQLLVQLE SIAITIVWSG VVAFIGYKLA DLTVGLRVPE EQEREGLDVN DATA SEQUENCE SHGENAYNA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -2 H HA 0.000 nan 4.556 nan 0.000 0.296 -2 H C 0.000 175.393 175.328 0.109 0.000 0.993 -2 H CA 0.000 56.095 56.048 0.079 0.000 1.023 -2 H CB 0.000 29.752 29.762 -0.017 0.000 1.292 -1 H N -0.329 118.972 119.070 0.386 0.000 2.470 -1 H HA -0.004 4.552 4.556 -0.001 0.000 0.289 -1 H C 1.690 177.213 175.328 0.325 0.000 1.033 -1 H CA 1.630 57.850 56.048 0.288 0.000 1.331 -1 H CB -0.003 29.882 29.762 0.204 0.000 1.414 -1 H HN 0.400 nan 8.280 nan 0.000 0.545 0 H N -0.520 118.382 119.070 -0.280 0.000 2.547 0 H HA 0.035 4.590 4.556 -0.001 0.000 0.266 0 H C -0.143 175.296 175.328 0.185 0.000 0.988 0 H CA 0.116 56.143 56.048 -0.035 0.000 1.147 0 H CB -1.230 28.435 29.762 -0.161 0.000 1.365 0 H HN 0.582 nan 8.280 nan 0.000 0.589 1 H N 3.128 122.114 119.070 -0.141 0.000 2.848 1 H HA 0.149 4.705 4.556 -0.001 0.000 0.317 1 H C 0.121 175.387 175.328 -0.104 0.000 1.046 1 H CA -0.415 55.456 56.048 -0.295 0.000 1.470 1 H CB 0.156 29.492 29.762 -0.710 0.000 1.483 1 H HN 0.485 nan 8.280 nan 0.000 0.548 2 H N 2.742 121.428 119.070 -0.641 0.000 2.670 2 H HA 0.681 5.237 4.556 -0.001 0.000 0.361 2 H C -0.937 174.039 175.328 -0.587 0.000 1.169 2 H CA -1.019 54.717 56.048 -0.520 0.000 1.198 2 H CB 1.041 30.687 29.762 -0.192 0.000 1.700 2 H HN 0.717 nan 8.280 nan 0.000 0.542 3 A N 1.798 124.451 122.820 -0.279 0.000 2.354 3 A HA 0.442 4.762 4.320 -0.001 0.000 0.269 3 A C 0.458 178.000 177.584 -0.070 0.000 1.109 3 A CA -0.325 51.597 52.037 -0.192 0.000 0.800 3 A CB 0.233 19.159 19.000 -0.123 0.000 1.045 3 A HN 0.675 nan 8.150 nan 0.000 0.489 4 V N 0.545 120.410 119.914 -0.081 0.000 2.439 4 V HA 0.757 4.877 4.120 -0.001 0.000 0.282 4 V C 0.541 176.555 176.094 -0.133 0.000 1.039 4 V CA -0.485 61.785 62.300 -0.050 0.000 0.913 4 V CB 0.536 32.341 31.823 -0.030 0.000 0.983 4 V HN 1.431 nan 8.190 nan 0.000 0.460 5 A N 3.507 126.178 122.820 -0.248 0.000 2.462 5 A HA 0.291 4.611 4.320 -0.001 0.000 0.243 5 A C 0.277 177.721 177.584 -0.233 0.000 1.076 5 A CA -0.135 51.663 52.037 -0.400 0.000 0.773 5 A CB 0.132 18.527 19.000 -1.009 0.000 1.010 5 A HN 1.027 nan 8.150 nan 0.000 0.493 6 D N 1.845 122.134 120.400 -0.185 0.000 2.317 6 D HA 0.154 4.793 4.640 -0.001 0.000 0.234 6 D C 0.722 176.969 176.300 -0.090 0.000 1.112 6 D CA -0.299 53.636 54.000 -0.109 0.000 0.840 6 D CB 0.728 41.477 40.800 -0.084 0.000 1.078 6 D HN 0.550 nan 8.370 nan 0.000 0.486 7 K N 2.317 122.685 120.400 -0.054 0.000 2.160 7 K HA -0.187 4.133 4.320 -0.001 0.000 0.206 7 K C 1.738 178.337 176.600 -0.001 0.000 1.047 7 K CA 1.224 57.502 56.287 -0.015 0.000 0.930 7 K CB 0.083 32.587 32.500 0.006 0.000 0.720 7 K HN 0.437 nan 8.250 nan 0.000 0.450 8 A N 1.805 124.618 122.820 -0.013 0.000 1.930 8 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 8 A C 1.618 179.219 177.584 0.028 0.000 1.175 8 A CA 1.667 53.703 52.037 -0.003 0.000 0.627 8 A CB -0.202 18.777 19.000 -0.035 0.000 0.815 8 A HN 0.170 nan 8.150 nan 0.000 0.443 9 D N -0.049 120.354 120.400 0.006 0.000 2.149 9 D HA -0.093 4.546 4.640 -0.001 0.000 0.201 9 D C 1.553 177.882 176.300 0.048 0.000 0.972 9 D CA 0.848 54.872 54.000 0.039 0.000 0.835 9 D CB -0.356 40.430 40.800 -0.022 0.000 0.966 9 D HN 0.302 nan 8.370 nan 0.000 0.476 10 N N 1.223 119.926 118.700 0.006 0.000 2.043 10 N HA -0.130 4.610 4.740 -0.001 0.000 0.193 10 N C 1.806 177.346 175.510 0.050 0.000 1.037 10 N CA 1.510 54.573 53.050 0.022 0.000 0.851 10 N CB -0.518 37.991 38.487 0.037 0.000 1.027 10 N HN 0.112 nan 8.380 nan 0.000 0.422 11 A N 0.541 123.401 122.820 0.067 0.000 1.883 11 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 11 A C 2.189 179.838 177.584 0.107 0.000 1.186 11 A CA 1.259 53.342 52.037 0.077 0.000 0.624 11 A CB -1.082 17.963 19.000 0.075 0.000 0.822 11 A HN 0.298 nan 8.150 nan 0.000 0.444 12 F N 0.150 120.085 119.950 -0.027 0.000 2.095 12 F HA -0.193 4.333 4.527 -0.001 0.000 0.298 12 F C 2.288 178.057 175.800 -0.052 0.000 1.104 12 F CA 1.983 59.967 58.000 -0.028 0.000 1.232 12 F CB -0.233 38.745 39.000 -0.036 0.000 0.987 12 F HN 0.101 nan 8.300 nan 0.000 0.475 13 M N -0.661 118.855 119.600 -0.139 0.000 2.229 13 M HA -0.191 4.289 4.480 -0.001 0.000 0.264 13 M C 2.292 178.480 176.300 -0.186 0.000 1.063 13 M CA 1.421 56.530 55.300 -0.318 0.000 1.114 13 M CB -1.225 31.219 32.600 -0.260 0.000 1.387 13 M HN 0.291 nan 8.290 nan 0.000 0.420 14 M N -0.271 119.289 119.600 -0.067 0.000 2.099 14 M HA -0.183 4.296 4.480 -0.001 0.000 0.262 14 M C 1.979 178.268 176.300 -0.017 0.000 1.067 14 M CA 1.194 56.489 55.300 -0.008 0.000 1.124 14 M CB -0.256 32.358 32.600 0.023 0.000 1.353 14 M HN 0.110 nan 8.290 nan 0.000 0.410 15 I N -0.132 120.411 120.570 -0.044 0.000 2.226 15 I HA -0.291 3.879 4.170 -0.001 0.000 0.245 15 I C 2.507 178.589 176.117 -0.057 0.000 1.100 15 I CA 1.328 62.605 61.300 -0.039 0.000 1.374 15 I CB -1.587 36.404 38.000 -0.014 0.000 1.057 15 I HN 0.410 nan 8.210 nan 0.000 0.413 16 C N 0.522 119.716 119.300 -0.175 0.000 2.422 16 C HA -0.144 4.316 4.460 -0.001 0.000 0.279 16 C C 2.968 178.050 174.990 0.154 0.000 1.305 16 C CA 1.329 60.283 59.018 -0.105 0.000 1.757 16 C CB -1.180 26.329 27.740 -0.384 0.000 1.962 16 C HN 0.530 nan 8.230 nan 0.000 0.499 17 T N 1.135 115.794 114.554 0.175 0.000 2.746 17 T HA -0.110 4.240 4.350 -0.001 0.000 0.267 17 T C 2.159 176.943 174.700 0.141 0.000 1.039 17 T CA 1.606 63.866 62.100 0.265 0.000 1.142 17 T CB -0.410 68.588 68.868 0.216 0.000 0.866 17 T HN 0.642 nan 8.240 nan 0.000 0.444 18 A N 1.323 124.195 122.820 0.087 0.000 1.908 18 A HA -0.023 4.296 4.320 -0.001 0.000 0.218 18 A C 2.314 179.953 177.584 0.091 0.000 1.181 18 A CA 1.258 53.331 52.037 0.060 0.000 0.627 18 A CB -0.914 18.090 19.000 0.006 0.000 0.818 18 A HN 0.473 nan 8.150 nan 0.000 0.445 19 L N -0.480 120.805 121.223 0.104 0.000 2.083 19 L HA -0.166 4.174 4.340 -0.001 0.000 0.209 19 L C 2.474 179.442 176.870 0.164 0.000 1.083 19 L CA 1.162 56.103 54.840 0.168 0.000 0.752 19 L CB -0.444 41.711 42.059 0.159 0.000 0.899 19 L HN 0.283 nan 8.230 nan 0.000 0.433 20 V N -0.284 119.694 119.914 0.106 0.000 2.548 20 V HA -0.225 3.894 4.120 -0.001 0.000 0.249 20 V C 2.296 178.391 176.094 0.001 0.000 1.055 20 V CA 1.197 63.495 62.300 -0.003 0.000 1.065 20 V CB -0.302 31.448 31.823 -0.121 0.000 0.681 20 V HN 0.339 nan 8.190 nan 0.000 0.462 21 L N -1.193 120.081 121.223 0.084 0.000 2.141 21 L HA -0.134 4.205 4.340 -0.001 0.000 0.209 21 L C 2.356 179.289 176.870 0.104 0.000 1.094 21 L CA 1.391 56.311 54.840 0.134 0.000 0.763 21 L CB -0.577 41.589 42.059 0.178 0.000 0.908 21 L HN 0.310 nan 8.230 nan 0.000 0.437 22 F N 0.428 120.344 119.950 -0.057 0.000 2.269 22 F HA -0.184 4.342 4.527 -0.001 0.000 0.301 22 F C 2.308 178.044 175.800 -0.108 0.000 1.082 22 F CA 1.223 59.177 58.000 -0.076 0.000 1.360 22 F CB -0.276 38.702 39.000 -0.037 0.000 1.041 22 F HN 0.009 nan 8.300 nan 0.000 0.512 23 M N -1.055 118.473 119.600 -0.120 0.000 2.175 23 M HA -0.183 4.296 4.480 -0.001 0.000 0.264 23 M C 1.855 177.995 176.300 -0.268 0.000 1.063 23 M CA 2.048 57.184 55.300 -0.275 0.000 1.119 23 M CB -0.568 31.835 32.600 -0.328 0.000 1.377 23 M HN 0.016 nan 8.290 nan 0.000 0.415 24 T N 0.387 114.829 114.554 -0.185 0.000 2.818 24 T HA 0.130 4.479 4.350 -0.001 0.000 0.246 24 T C 0.861 175.418 174.700 -0.238 0.000 1.036 24 T CA 0.539 62.538 62.100 -0.168 0.000 1.160 24 T CB 0.171 69.025 68.868 -0.022 0.000 0.869 24 T HN 0.040 nan 8.240 nan 0.000 0.419 25 I N 3.852 124.234 120.570 -0.313 0.000 2.282 25 I HA 0.233 4.403 4.170 -0.001 0.000 0.290 25 I C -1.840 174.195 176.117 -0.136 0.000 1.090 25 I CA -2.635 58.480 61.300 -0.308 0.000 1.231 25 I CB 0.485 38.167 38.000 -0.531 0.000 1.434 25 I HN 0.153 nan 8.210 nan 0.000 0.487 26 P HA 0.139 nan 4.420 nan 0.000 0.281 26 P C 1.358 178.523 177.300 -0.225 0.000 1.291 26 P CA 0.270 63.261 63.100 -0.181 0.000 0.906 26 P CB 0.976 32.607 31.700 -0.115 0.000 1.388 27 G N 2.251 110.841 108.800 -0.351 0.000 2.833 27 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.226 27 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.226 27 G C 1.344 176.107 174.900 -0.228 0.000 1.228 27 G CA 1.506 46.404 45.100 -0.337 0.000 0.779 27 G HN 0.299 nan 8.290 nan 0.000 0.651 28 I N 1.719 122.139 120.570 -0.250 0.000 2.394 28 I HA 0.119 4.288 4.170 -0.001 0.000 0.251 28 I C 2.991 178.997 176.117 -0.184 0.000 1.136 28 I CA 1.293 62.418 61.300 -0.292 0.000 1.425 28 I CB -0.370 37.418 38.000 -0.353 0.000 1.079 28 I HN 0.253 nan 8.210 nan 0.000 0.425 29 A N 0.032 122.794 122.820 -0.096 0.000 1.930 29 A HA -0.121 4.199 4.320 -0.001 0.000 0.217 29 A C 2.239 179.837 177.584 0.024 0.000 1.175 29 A CA 1.642 53.673 52.037 -0.009 0.000 0.627 29 A CB -0.807 18.171 19.000 -0.036 0.000 0.815 29 A HN 0.463 nan 8.150 nan 0.000 0.443 30 L N -2.380 118.840 121.223 -0.005 0.000 2.179 30 L HA -0.023 4.316 4.340 -0.001 0.000 0.208 30 L C 2.403 179.304 176.870 0.052 0.000 1.096 30 L CA 0.887 55.740 54.840 0.022 0.000 0.779 30 L CB -0.509 41.544 42.059 -0.010 0.000 0.922 30 L HN 0.449 nan 8.230 nan 0.000 0.443 31 F N 0.367 120.248 119.950 -0.116 0.000 2.069 31 F HA -0.294 4.232 4.527 -0.001 0.000 0.298 31 F C 2.396 178.219 175.800 0.039 0.000 1.113 31 F CA 1.746 59.680 58.000 -0.111 0.000 1.214 31 F CB -0.341 38.508 39.000 -0.253 0.000 0.978 31 F HN -0.046 nan 8.300 nan 0.000 0.474 32 Y N 0.404 120.701 120.300 -0.005 0.000 2.286 32 Y HA 0.110 4.659 4.550 -0.001 0.000 0.293 32 Y C 2.715 178.581 175.900 -0.057 0.000 1.124 32 Y CA 0.561 58.613 58.100 -0.081 0.000 1.178 32 Y CB -1.526 36.958 38.460 0.040 0.000 1.010 32 Y HN 0.131 nan 8.280 nan 0.000 0.536 33 G N -0.431 108.466 108.800 0.161 0.000 2.422 33 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.218 33 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.218 33 G C 2.036 177.064 174.900 0.214 0.000 1.146 33 G CA 0.982 46.167 45.100 0.142 0.000 0.769 33 G HN 0.511 nan 8.290 nan 0.000 0.547 34 G N 0.410 109.272 108.800 0.103 0.000 2.464 34 G HA2 0.001 3.960 3.960 -0.001 0.000 0.217 34 G HA3 0.001 3.960 3.960 -0.001 0.000 0.217 34 G C 1.717 176.619 174.900 0.004 0.000 1.138 34 G CA 0.256 45.358 45.100 0.004 0.000 0.793 34 G HN 0.420 nan 8.290 nan 0.000 0.539 35 L N 0.686 121.888 121.223 -0.035 0.000 2.217 35 L HA 0.201 4.540 4.340 -0.001 0.000 0.211 35 L C 1.747 178.632 176.870 0.026 0.000 1.107 35 L CA 0.156 54.962 54.840 -0.055 0.000 0.783 35 L CB -0.284 41.692 42.059 -0.137 0.000 0.919 35 L HN 0.373 nan 8.230 nan 0.000 0.442 36 I N -2.595 118.018 120.570 0.071 0.000 3.514 36 I HA 0.298 4.468 4.170 -0.001 0.000 0.300 36 I C 0.369 176.544 176.117 0.097 0.000 1.194 36 I CA -0.981 60.338 61.300 0.031 0.000 0.968 36 I CB 0.730 38.708 38.000 -0.037 0.000 1.418 36 I HN -0.131 nan 8.210 nan 0.000 0.614 37 R N 0.580 121.072 120.500 -0.012 0.000 2.560 37 R HA 0.276 4.615 4.340 -0.001 0.000 0.270 37 R C 1.339 177.498 176.300 -0.234 0.000 1.074 37 R CA 0.352 56.437 56.100 -0.025 0.000 1.140 37 R CB 0.852 31.143 30.300 -0.014 0.000 1.073 37 R HN 0.898 nan 8.270 nan 0.000 0.527 38 G N 1.917 110.558 108.800 -0.266 0.000 2.476 38 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.218 38 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.218 38 G C 1.014 175.785 174.900 -0.216 0.000 1.164 38 G CA 1.125 46.017 45.100 -0.347 0.000 0.768 38 G HN 0.708 nan 8.290 nan 0.000 0.560 39 K N -0.092 120.242 120.400 -0.110 0.000 2.589 39 K HA -0.001 4.318 4.320 -0.001 0.000 0.195 39 K C 0.990 177.534 176.600 -0.093 0.000 1.040 39 K CA 1.252 57.490 56.287 -0.082 0.000 0.950 39 K CB -0.026 32.450 32.500 -0.041 0.000 0.781 39 K HN 0.223 nan 8.250 nan 0.000 0.486 40 N N 0.337 118.960 118.700 -0.128 0.000 2.143 40 N HA -0.038 4.701 4.740 -0.001 0.000 0.222 40 N C 1.261 176.709 175.510 -0.103 0.000 1.264 40 N CA 0.160 53.153 53.050 -0.094 0.000 0.897 40 N CB 0.854 39.290 38.487 -0.085 0.000 1.092 40 N HN 0.047 nan 8.380 nan 0.000 0.516 41 V N 1.731 121.537 119.914 -0.180 0.000 2.287 41 V HA -0.172 3.947 4.120 -0.001 0.000 0.248 41 V C 1.888 177.920 176.094 -0.105 0.000 1.053 41 V CA 1.628 63.848 62.300 -0.133 0.000 1.027 41 V CB -0.309 31.411 31.823 -0.172 0.000 0.646 41 V HN 0.202 nan 8.190 nan 0.000 0.447 42 L N 1.019 122.152 121.223 -0.150 0.000 2.131 42 L HA -0.133 4.207 4.340 -0.001 0.000 0.210 42 L C 2.837 179.570 176.870 -0.229 0.000 1.092 42 L CA 1.853 56.586 54.840 -0.180 0.000 0.759 42 L CB -0.962 40.982 42.059 -0.191 0.000 0.903 42 L HN 0.637 nan 8.230 nan 0.000 0.435 43 S N -0.033 115.608 115.700 -0.099 0.000 2.368 43 S HA -0.266 4.204 4.470 -0.001 0.000 0.225 43 S C 1.990 176.607 174.600 0.029 0.000 1.030 43 S CA 1.363 59.572 58.200 0.014 0.000 0.999 43 S CB -0.367 62.953 63.200 0.199 0.000 0.844 43 S HN 0.312 nan 8.310 nan 0.000 0.459 44 M N 2.040 121.650 119.600 0.016 0.000 2.099 44 M HA 0.192 4.671 4.480 -0.001 0.000 0.262 44 M C 1.942 178.269 176.300 0.046 0.000 1.067 44 M CA 1.467 56.799 55.300 0.054 0.000 1.124 44 M CB -0.955 31.683 32.600 0.063 0.000 1.353 44 M HN 0.389 nan 8.290 nan 0.000 0.410 45 L N -1.135 120.081 121.223 -0.012 0.000 2.083 45 L HA -0.209 4.130 4.340 -0.001 0.000 0.209 45 L C 2.074 178.924 176.870 -0.032 0.000 1.083 45 L CA 1.683 56.507 54.840 -0.027 0.000 0.752 45 L CB -1.464 40.559 42.059 -0.060 0.000 0.899 45 L HN 0.336 nan 8.230 nan 0.000 0.433 46 T N -1.409 113.090 114.554 -0.092 0.000 2.896 46 T HA -0.154 4.195 4.350 -0.001 0.000 0.263 46 T C 1.914 176.748 174.700 0.223 0.000 1.050 46 T CA 0.889 62.949 62.100 -0.066 0.000 1.140 46 T CB -0.059 68.531 68.868 -0.462 0.000 0.877 46 T HN 0.331 nan 8.240 nan 0.000 0.457 47 Q N 0.349 120.317 119.800 0.280 0.000 2.050 47 Q HA -0.069 4.270 4.340 -0.001 0.000 0.202 47 Q C 2.549 178.648 176.000 0.166 0.000 0.980 47 Q CA 1.173 57.153 55.803 0.296 0.000 0.840 47 Q CB -0.318 28.542 28.738 0.203 0.000 0.898 47 Q HN 0.324 nan 8.270 nan 0.000 0.424 48 V N 0.266 120.258 119.914 0.130 0.000 2.343 48 V HA -0.259 3.860 4.120 -0.001 0.000 0.247 48 V C 2.155 178.320 176.094 0.119 0.000 1.051 48 V CA 2.122 64.485 62.300 0.106 0.000 1.036 48 V CB -0.761 31.104 31.823 0.069 0.000 0.654 48 V HN 0.437 nan 8.190 nan 0.000 0.451 49 T N 0.135 114.745 114.554 0.093 0.000 2.674 49 T HA -0.153 4.197 4.350 -0.001 0.000 0.265 49 T C 1.936 176.755 174.700 0.198 0.000 1.039 49 T CA 1.800 63.955 62.100 0.092 0.000 1.150 49 T CB -0.216 68.676 68.868 0.039 0.000 0.864 49 T HN 0.294 nan 8.240 nan 0.000 0.427 50 V N 2.247 122.286 119.914 0.208 0.000 2.427 50 V HA -0.155 3.965 4.120 -0.001 0.000 0.248 50 V C 2.981 179.168 176.094 0.155 0.000 1.051 50 V CA 2.037 64.468 62.300 0.218 0.000 1.048 50 V CB -1.446 30.586 31.823 0.349 0.000 0.666 50 V HN 0.724 nan 8.190 nan 0.000 0.456 51 T N -1.631 112.999 114.554 0.127 0.000 2.867 51 T HA -0.211 4.138 4.350 -0.001 0.000 0.268 51 T C 1.774 176.534 174.700 0.099 0.000 1.057 51 T CA 1.531 63.678 62.100 0.078 0.000 1.136 51 T CB -0.586 68.317 68.868 0.059 0.000 0.874 51 T HN 0.397 nan 8.240 nan 0.000 0.466 52 F N 2.823 122.773 119.950 0.001 0.000 2.051 52 F HA 0.130 4.657 4.527 -0.001 0.000 0.296 52 F C 2.685 178.479 175.800 -0.010 0.000 1.122 52 F CA 1.189 59.176 58.000 -0.021 0.000 1.201 52 F CB -0.949 38.040 39.000 -0.018 0.000 0.978 52 F HN 0.241 nan 8.300 nan 0.000 0.472 53 A N 0.694 123.623 122.820 0.180 0.000 1.873 53 A HA -0.249 4.070 4.320 -0.001 0.000 0.218 53 A C 2.142 179.704 177.584 -0.037 0.000 1.193 53 A CA 2.020 54.095 52.037 0.063 0.000 0.629 53 A CB -1.519 17.570 19.000 0.148 0.000 0.826 53 A HN 0.540 nan 8.150 nan 0.000 0.447 54 L N -0.057 121.169 121.223 0.005 0.000 2.013 54 L HA -0.178 4.161 4.340 -0.001 0.000 0.212 54 L C 2.462 179.303 176.870 -0.047 0.000 1.073 54 L CA 2.189 57.027 54.840 -0.003 0.000 0.753 54 L CB -0.563 41.506 42.059 0.017 0.000 0.890 54 L HN 0.196 nan 8.230 nan 0.000 0.432 55 V N -1.430 118.422 119.914 -0.104 0.000 2.295 55 V HA -0.349 3.770 4.120 -0.001 0.000 0.246 55 V C 2.626 178.631 176.094 -0.148 0.000 1.049 55 V CA 1.841 64.058 62.300 -0.139 0.000 1.024 55 V CB -0.873 30.817 31.823 -0.222 0.000 0.648 55 V HN 0.636 nan 8.190 nan 0.000 0.447 56 C N -0.037 119.095 119.300 -0.280 0.000 2.401 56 C HA -0.189 4.270 4.460 -0.001 0.000 0.276 56 C C 2.603 177.557 174.990 -0.060 0.000 1.233 56 C CA 0.695 59.575 59.018 -0.229 0.000 1.753 56 C CB -1.080 26.451 27.740 -0.348 0.000 2.029 56 C HN 0.470 nan 8.230 nan 0.000 0.478 57 I N 0.609 121.145 120.570 -0.056 0.000 2.133 57 I HA -0.137 4.032 4.170 -0.001 0.000 0.238 57 I C 2.484 178.578 176.117 -0.037 0.000 1.074 57 I CA 1.702 62.989 61.300 -0.021 0.000 1.342 57 I CB -1.504 36.496 38.000 -0.000 0.000 1.053 57 I HN 0.342 nan 8.210 nan 0.000 0.404 58 L N -0.544 120.641 121.223 -0.063 0.000 2.043 58 L HA -0.278 4.061 4.340 -0.001 0.000 0.212 58 L C 2.653 179.313 176.870 -0.350 0.000 1.075 58 L CA 1.605 56.307 54.840 -0.230 0.000 0.752 58 L CB -0.642 41.312 42.059 -0.176 0.000 0.891 58 L HN 0.478 nan 8.230 nan 0.000 0.432 59 W N 0.952 122.073 121.300 -0.297 0.000 2.338 59 W HA -0.219 4.440 4.660 -0.001 0.000 0.304 59 W C 2.378 178.818 176.519 -0.130 0.000 1.212 59 W CA 2.509 59.733 57.345 -0.202 0.000 1.264 59 W CB 0.010 29.382 29.460 -0.147 0.000 1.142 59 W HN 0.197 nan 8.180 nan 0.000 0.512 60 V N -1.373 118.514 119.914 -0.045 0.000 2.591 60 V HA -0.173 3.946 4.120 -0.001 0.000 0.249 60 V C 1.905 177.933 176.094 -0.109 0.000 1.053 60 V CA 1.522 63.754 62.300 -0.114 0.000 1.068 60 V CB -1.047 30.738 31.823 -0.064 0.000 0.689 60 V HN -0.022 nan 8.190 nan 0.000 0.462 61 V N 1.338 121.201 119.914 -0.086 0.000 2.223 61 V HA -0.184 3.935 4.120 -0.001 0.000 0.244 61 V C 2.378 178.515 176.094 0.072 0.000 1.045 61 V CA 3.012 65.321 62.300 0.015 0.000 1.000 61 V CB -0.801 31.087 31.823 0.107 0.000 0.635 61 V HN 0.891 nan 8.190 nan 0.000 0.445 62 Y N -1.920 118.352 120.300 -0.045 0.000 2.459 62 Y HA 0.581 5.130 4.550 -0.001 0.000 0.271 62 Y C 1.937 177.762 175.900 -0.125 0.000 1.063 62 Y CA 0.412 58.474 58.100 -0.064 0.000 1.216 62 Y CB -0.579 37.847 38.460 -0.056 0.000 1.335 62 Y HN 0.021 nan 8.280 nan 0.000 0.550 63 G N 1.421 109.847 108.800 -0.622 0.000 2.514 63 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.217 63 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.217 63 G C 1.435 175.805 174.900 -0.883 0.000 1.198 63 G CA 1.663 46.412 45.100 -0.585 0.000 0.780 63 G HN 0.535 nan 8.290 nan 0.000 0.565 64 Y N 1.498 120.950 120.300 -1.414 0.000 2.128 64 Y HA -0.145 4.404 4.550 -0.001 0.000 0.284 64 Y C 3.179 178.967 175.900 -0.188 0.000 1.154 64 Y CA 1.959 59.430 58.100 -1.048 0.000 1.149 64 Y CB -0.501 37.495 38.460 -0.774 0.000 0.976 64 Y HN 0.251 nan 8.280 nan 0.000 0.505 65 S N -0.234 115.476 115.700 0.016 0.000 2.383 65 S HA -0.191 4.279 4.470 -0.001 0.000 0.229 65 S C 2.024 176.602 174.600 -0.037 0.000 1.030 65 S CA 1.654 59.943 58.200 0.149 0.000 1.002 65 S CB -0.563 62.750 63.200 0.189 0.000 0.829 65 S HN 0.557 nan 8.310 nan 0.000 0.467 66 L N 0.271 121.454 121.223 -0.067 0.000 2.179 66 L HA 0.094 4.433 4.340 -0.001 0.000 0.208 66 L C 2.705 179.532 176.870 -0.072 0.000 1.096 66 L CA 1.024 55.831 54.840 -0.056 0.000 0.779 66 L CB -0.418 41.658 42.059 0.029 0.000 0.922 66 L HN 0.435 nan 8.230 nan 0.000 0.443 67 A N -1.005 121.749 122.820 -0.110 0.000 1.943 67 A HA -0.003 4.317 4.320 -0.001 0.000 0.213 67 A C 1.509 178.897 177.584 -0.326 0.000 1.181 67 A CA 0.842 52.772 52.037 -0.178 0.000 0.653 67 A CB -0.243 18.667 19.000 -0.149 0.000 0.833 67 A HN 0.356 nan 8.150 nan 0.000 0.451 68 F N -0.153 119.730 119.950 -0.112 0.000 2.661 68 F HA 0.349 4.875 4.527 -0.001 0.000 0.306 68 F C 1.333 177.167 175.800 0.057 0.000 1.094 68 F CA -0.172 57.792 58.000 -0.060 0.000 1.254 68 F CB 0.395 39.260 39.000 -0.226 0.000 1.040 68 F HN 0.211 nan 8.300 nan 0.000 0.562 69 G N 0.333 109.183 108.800 0.083 0.000 2.425 69 G HA2 0.259 4.218 3.960 -0.001 0.000 0.302 69 G HA3 0.259 4.218 3.960 -0.001 0.000 0.302 69 G C -0.759 174.080 174.900 -0.101 0.000 1.159 69 G CA -0.449 44.539 45.100 -0.186 0.000 0.865 69 G HN 0.168 nan 8.290 nan 0.000 0.515 70 E N 0.133 120.237 120.200 -0.161 0.000 2.480 70 E HA 0.398 4.747 4.350 -0.001 0.000 0.258 70 E C 0.764 177.328 176.600 -0.060 0.000 0.984 70 E CA 0.671 57.039 56.400 -0.052 0.000 0.930 70 E CB 0.255 29.921 29.700 -0.057 0.000 0.936 70 E HN 0.586 nan 8.360 nan 0.000 0.466 71 G N 3.587 112.401 108.800 0.023 0.000 2.827 71 G HA2 0.103 4.062 3.960 -0.001 0.000 0.202 71 G HA3 0.103 4.062 3.960 -0.001 0.000 0.202 71 G C -0.584 174.336 174.900 0.034 0.000 1.185 71 G CA -0.062 45.031 45.100 -0.013 0.000 0.920 71 G HN 0.633 nan 8.290 nan 0.000 0.550 72 N N -0.381 118.333 118.700 0.024 0.000 2.605 72 N HA 0.236 4.976 4.740 -0.001 0.000 0.277 72 N C 0.629 176.161 175.510 0.036 0.000 1.355 72 N CA 0.238 53.306 53.050 0.029 0.000 0.849 72 N CB -0.005 38.506 38.487 0.039 0.000 1.111 72 N HN 0.292 nan 8.380 nan 0.000 0.441 73 N N -2.268 116.351 118.700 -0.135 0.000 2.254 73 N HA 0.316 5.055 4.740 -0.001 0.000 0.190 73 N C -0.086 175.031 175.510 -0.655 0.000 1.107 73 N CA 0.168 52.965 53.050 -0.422 0.000 0.869 73 N CB 0.278 38.353 38.487 -0.685 0.000 0.983 73 N HN 0.336 nan 8.380 nan 0.000 0.487 74 F N -1.852 118.078 119.950 -0.033 0.000 2.581 74 F HA 0.400 4.926 4.527 -0.001 0.000 0.278 74 F C 0.449 175.965 175.800 -0.474 0.000 1.000 74 F CA -0.321 57.543 58.000 -0.227 0.000 1.230 74 F CB 0.440 39.312 39.000 -0.213 0.000 1.008 74 F HN -0.196 nan 8.300 nan 0.000 0.695 75 F N -0.440 119.397 119.950 -0.188 0.000 2.585 75 F HA 0.632 5.158 4.527 -0.001 0.000 0.350 75 F C 1.120 176.443 175.800 -0.795 0.000 1.074 75 F CA -0.589 57.172 58.000 -0.399 0.000 1.032 75 F CB 1.115 40.022 39.000 -0.154 0.000 1.330 75 F HN -0.096 nan 8.300 nan 0.000 0.495 76 G N 0.060 108.680 108.800 -0.300 0.000 3.157 76 G HA2 0.346 4.306 3.960 -0.001 0.000 0.206 76 G HA3 0.346 4.306 3.960 -0.001 0.000 0.206 76 G C -1.265 173.532 174.900 -0.172 0.000 1.903 76 G CA -0.149 44.774 45.100 -0.295 0.000 0.771 76 G HN 0.661 nan 8.290 nan 0.000 0.750 77 N N -2.144 116.446 118.700 -0.184 0.000 2.934 77 N HA 0.357 5.096 4.740 -0.001 0.000 0.253 77 N C -0.529 174.876 175.510 -0.176 0.000 1.466 77 N CA -0.737 52.193 53.050 -0.199 0.000 0.858 77 N CB 1.044 39.378 38.487 -0.256 0.000 1.459 77 N HN 0.147 nan 8.380 nan 0.000 0.532 78 I N 0.564 121.039 120.570 -0.157 0.000 4.025 78 I HA 0.211 4.381 4.170 -0.001 0.000 0.336 78 I C 0.620 176.690 176.117 -0.078 0.000 1.390 78 I CA -0.066 61.178 61.300 -0.093 0.000 1.099 78 I CB -1.503 36.442 38.000 -0.091 0.000 1.049 78 I HN 0.554 nan 8.210 nan 0.000 0.394 79 N N 0.545 119.129 118.700 -0.193 0.000 2.430 79 N HA -0.167 4.572 4.740 -0.001 0.000 0.186 79 N C 0.274 175.777 175.510 -0.013 0.000 1.032 79 N CA 1.117 54.039 53.050 -0.213 0.000 0.893 79 N CB 0.054 38.259 38.487 -0.470 0.000 0.957 79 N HN 0.257 nan 8.380 nan 0.000 0.442 80 W N 0.796 122.122 121.300 0.043 0.000 1.639 80 W HA 0.370 5.029 4.660 -0.001 0.000 0.307 80 W C -0.501 176.040 176.519 0.037 0.000 0.809 80 W CA -1.044 56.337 57.345 0.060 0.000 2.583 80 W CB -0.569 28.962 29.460 0.119 0.000 2.213 80 W HN -0.101 nan 8.180 nan 0.000 0.549 81 L N 2.639 123.984 121.223 0.203 0.000 2.410 81 L HA 0.115 4.454 4.340 -0.001 0.000 0.273 81 L C 1.061 177.994 176.870 0.105 0.000 1.144 81 L CA 0.553 55.471 54.840 0.131 0.000 0.863 81 L CB 0.583 42.694 42.059 0.087 0.000 1.140 81 L HN 0.191 nan 8.230 nan 0.000 0.463 82 M N 5.574 125.216 119.600 0.071 0.000 2.503 82 M HA -0.257 4.222 4.480 -0.001 0.000 0.199 82 M C 0.953 177.263 176.300 0.016 0.000 0.466 82 M CA 0.582 55.902 55.300 0.033 0.000 0.510 82 M CB -1.376 31.249 32.600 0.041 0.000 1.858 82 M HN 0.773 nan 8.290 nan 0.000 0.799 83 L N -2.147 119.085 121.223 0.014 0.000 4.625 83 L HA -0.280 4.059 4.340 -0.001 0.000 0.428 83 L C 1.011 177.905 176.870 0.041 0.000 1.129 83 L CA 1.690 56.508 54.840 -0.036 0.000 0.978 83 L CB -1.766 40.163 42.059 -0.216 0.000 2.043 83 L HN 0.704 nan 8.230 nan 0.000 0.847 84 K N 0.066 120.531 120.400 0.110 0.000 2.380 84 K HA 0.194 4.513 4.320 -0.001 0.000 0.267 84 K C 1.046 177.773 176.600 0.213 0.000 0.990 84 K CA 0.543 56.907 56.287 0.129 0.000 0.946 84 K CB 0.603 33.171 32.500 0.114 0.000 0.937 84 K HN 0.161 nan 8.250 nan 0.000 0.491 85 N N -0.366 118.440 118.700 0.177 0.000 2.849 85 N HA -0.196 4.544 4.740 -0.001 0.000 0.200 85 N C -0.784 174.802 175.510 0.127 0.000 1.129 85 N CA 1.759 54.955 53.050 0.243 0.000 1.320 85 N CB -1.399 37.383 38.487 0.491 0.000 0.945 85 N HN 0.645 nan 8.380 nan 0.000 0.554 86 I N 2.469 123.000 120.570 -0.065 0.000 2.363 86 I HA 0.068 4.237 4.170 -0.001 0.000 0.292 86 I C 0.445 176.547 176.117 -0.026 0.000 1.075 86 I CA 0.052 61.224 61.300 -0.213 0.000 1.333 86 I CB 0.501 38.258 38.000 -0.406 0.000 1.415 86 I HN 0.062 nan 8.210 nan 0.000 0.502 87 E N 4.771 124.947 120.200 -0.041 0.000 2.343 87 E HA 0.037 4.386 4.350 -0.001 0.000 0.269 87 E C 0.716 177.219 176.600 -0.161 0.000 1.047 87 E CA -0.622 55.736 56.400 -0.071 0.000 0.874 87 E CB 1.424 31.089 29.700 -0.058 0.000 1.033 87 E HN 0.460 nan 8.360 nan 0.000 0.409 88 L N 2.859 123.899 121.223 -0.306 0.000 2.079 88 L HA -0.176 4.163 4.340 -0.001 0.000 0.210 88 L C 2.223 178.821 176.870 -0.454 0.000 1.081 88 L CA 2.417 56.907 54.840 -0.583 0.000 0.752 88 L CB -0.734 40.971 42.059 -0.590 0.000 0.896 88 L HN 0.779 nan 8.230 nan 0.000 0.433 89 T N -2.407 111.981 114.554 -0.277 0.000 3.194 89 T HA 0.304 4.653 4.350 -0.001 0.000 0.251 89 T C 0.850 175.602 174.700 0.087 0.000 1.132 89 T CA 0.109 62.130 62.100 -0.132 0.000 1.028 89 T CB -0.765 68.040 68.868 -0.105 0.000 0.976 89 T HN 0.395 nan 8.240 nan 0.000 0.535 90 A N 1.081 123.920 122.820 0.031 0.000 2.511 90 A HA 0.547 4.866 4.320 -0.001 0.000 0.242 90 A C 0.094 177.753 177.584 0.126 0.000 1.069 90 A CA -0.358 51.711 52.037 0.054 0.000 0.763 90 A CB 0.252 19.248 19.000 -0.006 0.000 1.001 90 A HN 0.401 nan 8.150 nan 0.000 0.498 91 V N 3.611 123.558 119.914 0.055 0.000 2.459 91 V HA 0.518 4.637 4.120 -0.001 0.000 0.295 91 V C -0.025 176.050 176.094 -0.032 0.000 1.029 91 V CA -0.254 62.040 62.300 -0.011 0.000 0.874 91 V CB 1.531 33.315 31.823 -0.065 0.000 0.985 91 V HN 0.955 nan 8.190 nan 0.000 0.438 92 M N 4.993 124.554 119.600 -0.064 0.000 1.999 92 M HA 0.636 5.116 4.480 -0.001 0.000 0.299 92 M C 0.472 176.693 176.300 -0.131 0.000 0.900 92 M CA 0.834 56.073 55.300 -0.102 0.000 0.904 92 M CB 0.629 33.134 32.600 -0.159 0.000 1.477 92 M HN 0.993 nan 8.290 nan 0.000 0.403 93 G N 2.462 111.200 108.800 -0.103 0.000 2.728 93 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.269 93 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.269 93 G C 0.175 175.016 174.900 -0.097 0.000 1.334 93 G CA 0.340 45.382 45.100 -0.096 0.000 0.974 93 G HN 1.287 nan 8.290 nan 0.000 0.550 94 S N 0.464 116.098 115.700 -0.110 0.000 2.843 94 S HA 0.661 5.130 4.470 -0.001 0.000 0.249 94 S C 0.336 174.833 174.600 -0.172 0.000 1.047 94 S CA 0.512 58.637 58.200 -0.125 0.000 1.042 94 S CB -0.506 62.638 63.200 -0.094 0.000 0.936 94 S HN 1.741 nan 8.310 nan 0.000 0.531 95 I N -3.090 117.369 120.570 -0.185 0.000 3.174 95 I HA 0.677 4.846 4.170 -0.001 0.000 0.313 95 I C -1.277 174.708 176.117 -0.220 0.000 1.155 95 I CA -1.975 59.195 61.300 -0.217 0.000 0.977 95 I CB 1.019 38.957 38.000 -0.104 0.000 1.248 95 I HN -0.056 nan 8.210 nan 0.000 0.453 96 Y N 1.445 121.732 120.300 -0.021 0.000 2.359 96 Y HA 0.128 4.677 4.550 -0.001 0.000 0.334 96 Y C 1.635 177.543 175.900 0.013 0.000 1.058 96 Y CA 0.157 58.245 58.100 -0.019 0.000 1.244 96 Y CB 1.205 39.645 38.460 -0.033 0.000 1.187 96 Y HN 0.675 nan 8.280 nan 0.000 0.510 97 Q N 2.235 122.134 119.800 0.165 0.000 2.217 97 Q HA -0.286 4.053 4.340 -0.001 0.000 0.209 97 Q C 1.082 177.142 176.000 0.100 0.000 0.988 97 Q CA 1.889 57.753 55.803 0.101 0.000 0.878 97 Q CB -0.143 28.600 28.738 0.009 0.000 0.909 97 Q HN 0.854 nan 8.270 nan 0.000 0.424 98 Y N 0.128 120.388 120.300 -0.067 0.000 2.256 98 Y HA -0.203 4.346 4.550 -0.001 0.000 0.288 98 Y C 1.861 177.726 175.900 -0.058 0.000 1.155 98 Y CA 1.202 59.233 58.100 -0.114 0.000 1.203 98 Y CB -0.065 38.335 38.460 -0.100 0.000 0.980 98 Y HN 0.189 nan 8.280 nan 0.000 0.530 99 I N -1.461 119.207 120.570 0.164 0.000 2.353 99 I HA -0.320 3.849 4.170 -0.001 0.000 0.248 99 I C 2.594 178.770 176.117 0.098 0.000 1.119 99 I CA 1.389 62.755 61.300 0.110 0.000 1.417 99 I CB -0.539 37.519 38.000 0.096 0.000 1.078 99 I HN 0.310 nan 8.210 nan 0.000 0.421 100 H N 0.887 119.948 119.070 -0.014 0.000 2.352 100 H HA -0.150 4.406 4.556 -0.001 0.000 0.299 100 H C 2.315 177.644 175.328 0.001 0.000 1.097 100 H CA 1.882 57.923 56.048 -0.013 0.000 1.311 100 H CB 0.271 30.017 29.762 -0.027 0.000 1.377 100 H HN 0.108 nan 8.280 nan 0.000 0.504 101 V N 1.311 121.077 119.914 -0.247 0.000 2.255 101 V HA -0.304 3.816 4.120 -0.001 0.000 0.247 101 V C 3.038 179.135 176.094 0.005 0.000 1.051 101 V CA 1.846 63.903 62.300 -0.406 0.000 1.018 101 V CB -1.209 30.173 31.823 -0.734 0.000 0.641 101 V HN 0.608 nan 8.190 nan 0.000 0.445 102 A N -0.744 122.055 122.820 -0.036 0.000 1.877 102 A HA -0.236 4.083 4.320 -0.001 0.000 0.216 102 A C 2.122 179.716 177.584 0.016 0.000 1.186 102 A CA 2.039 54.078 52.037 0.003 0.000 0.620 102 A CB -0.752 18.262 19.000 0.024 0.000 0.822 102 A HN 0.506 nan 8.150 nan 0.000 0.443 103 F N 0.568 120.456 119.950 -0.103 0.000 2.095 103 F HA -0.198 4.328 4.527 -0.001 0.000 0.298 103 F C 2.448 178.175 175.800 -0.122 0.000 1.104 103 F CA 2.181 60.122 58.000 -0.097 0.000 1.232 103 F CB -0.179 38.743 39.000 -0.129 0.000 0.987 103 F HN 0.197 nan 8.300 nan 0.000 0.475 104 Q N 0.086 119.713 119.800 -0.289 0.000 2.230 104 Q HA -0.018 4.321 4.340 -0.001 0.000 0.202 104 Q C 2.514 178.192 176.000 -0.537 0.000 0.963 104 Q CA 1.141 56.717 55.803 -0.378 0.000 0.866 104 Q CB -1.108 27.495 28.738 -0.224 0.000 0.931 104 Q HN 0.562 nan 8.270 nan 0.000 0.452 105 G N 0.864 109.283 108.800 -0.635 0.000 2.402 105 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.216 105 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.216 105 G C 1.626 176.086 174.900 -0.733 0.000 1.162 105 G CA 1.229 45.578 45.100 -1.252 0.000 0.777 105 G HN 0.509 nan 8.290 nan 0.000 0.539 106 S N 0.009 115.476 115.700 -0.389 0.000 2.423 106 S HA 0.005 4.474 4.470 -0.001 0.000 0.231 106 S C 2.046 176.487 174.600 -0.265 0.000 1.014 106 S CA 0.805 58.855 58.200 -0.250 0.000 0.965 106 S CB -0.457 62.664 63.200 -0.131 0.000 0.785 106 S HN 0.165 nan 8.310 nan 0.000 0.495 107 F N 2.378 122.039 119.950 -0.482 0.000 2.163 107 F HA 0.246 4.772 4.527 -0.001 0.000 0.297 107 F C 2.851 178.482 175.800 -0.281 0.000 1.094 107 F CA 0.535 58.345 58.000 -0.317 0.000 1.290 107 F CB -0.990 37.844 39.000 -0.277 0.000 1.017 107 F HN 0.311 nan 8.300 nan 0.000 0.483 108 A N -0.927 121.628 122.820 -0.442 0.000 1.902 108 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 108 A C 2.354 179.626 177.584 -0.519 0.000 1.181 108 A CA 1.765 53.227 52.037 -0.958 0.000 0.623 108 A CB -1.491 16.748 19.000 -1.269 0.000 0.818 108 A HN 0.467 nan 8.150 nan 0.000 0.443 109 C N -1.107 117.950 119.300 -0.405 0.000 2.413 109 C HA -0.156 4.303 4.460 -0.001 0.000 0.278 109 C C 2.475 177.404 174.990 -0.101 0.000 1.224 109 C CA 1.258 60.138 59.018 -0.230 0.000 1.732 109 C CB -1.328 26.289 27.740 -0.205 0.000 2.050 109 C HN 0.699 nan 8.230 nan 0.000 0.463 110 I N 1.243 121.740 120.570 -0.122 0.000 2.264 110 I HA -0.183 3.987 4.170 -0.001 0.000 0.248 110 I C 2.345 178.389 176.117 -0.121 0.000 1.111 110 I CA 1.957 63.172 61.300 -0.142 0.000 1.382 110 I CB -0.779 37.067 38.000 -0.256 0.000 1.060 110 I HN 0.347 nan 8.210 nan 0.000 0.418 111 T N -0.153 114.354 114.554 -0.078 0.000 2.684 111 T HA -0.170 4.179 4.350 -0.001 0.000 0.267 111 T C 2.027 176.732 174.700 0.008 0.000 1.036 111 T CA 1.945 64.058 62.100 0.022 0.000 1.148 111 T CB -0.611 68.392 68.868 0.225 0.000 0.863 111 T HN 0.232 nan 8.240 nan 0.000 0.436 112 V N 1.330 121.240 119.914 -0.007 0.000 2.427 112 V HA -0.065 4.054 4.120 -0.001 0.000 0.248 112 V C 2.848 178.945 176.094 0.004 0.000 1.051 112 V CA 1.860 64.154 62.300 -0.010 0.000 1.048 112 V CB -1.250 30.579 31.823 0.011 0.000 0.666 112 V HN 0.621 nan 8.190 nan 0.000 0.456 113 G N -0.458 108.350 108.800 0.014 0.000 2.471 113 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.219 113 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.219 113 G C 1.531 176.505 174.900 0.123 0.000 1.125 113 G CA 0.618 45.751 45.100 0.055 0.000 0.775 113 G HN 0.473 nan 8.290 nan 0.000 0.548 114 L N -0.177 121.072 121.223 0.043 0.000 2.072 114 L HA 0.022 4.361 4.340 -0.001 0.000 0.205 114 L C 2.777 179.736 176.870 0.149 0.000 1.079 114 L CA 0.590 55.481 54.840 0.084 0.000 0.752 114 L CB -0.400 41.556 42.059 -0.173 0.000 0.906 114 L HN 0.161 nan 8.230 nan 0.000 0.436 115 I N -0.638 119.940 120.570 0.012 0.000 2.151 115 I HA -0.294 3.875 4.170 -0.001 0.000 0.243 115 I C 2.516 178.596 176.117 -0.061 0.000 1.080 115 I CA 1.171 62.442 61.300 -0.048 0.000 1.339 115 I CB -0.521 37.401 38.000 -0.131 0.000 1.039 115 I HN -0.036 nan 8.210 nan 0.000 0.409 116 V N 1.320 121.227 119.914 -0.011 0.000 2.363 116 V HA -0.353 3.767 4.120 -0.001 0.000 0.254 116 V C 2.536 178.517 176.094 -0.189 0.000 1.074 116 V CA 2.322 64.599 62.300 -0.037 0.000 1.069 116 V CB -1.579 30.283 31.823 0.065 0.000 0.659 116 V HN 0.667 nan 8.190 nan 0.000 0.455 117 G N -0.908 107.615 108.800 -0.462 0.000 2.448 117 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.219 117 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.219 117 G C 1.549 176.153 174.900 -0.494 0.000 1.127 117 G CA 0.864 45.368 45.100 -0.995 0.000 0.766 117 G HN 0.678 nan 8.290 nan 0.000 0.552 118 A N -0.164 122.477 122.820 -0.298 0.000 2.169 118 A HA 0.415 4.734 4.320 -0.001 0.000 0.212 118 A C 2.036 179.494 177.584 -0.210 0.000 1.153 118 A CA 0.439 52.354 52.037 -0.203 0.000 0.756 118 A CB -0.063 18.858 19.000 -0.131 0.000 0.813 118 A HN 0.359 nan 8.150 nan 0.000 0.471 119 L N -1.126 119.974 121.223 -0.204 0.000 2.664 119 L HA 0.318 4.658 4.340 -0.001 0.000 0.233 119 L C 1.275 178.056 176.870 -0.150 0.000 1.113 119 L CA -0.041 54.689 54.840 -0.183 0.000 0.896 119 L CB -0.269 41.695 42.059 -0.159 0.000 1.163 119 L HN 0.257 nan 8.230 nan 0.000 0.497 120 A N 1.128 123.854 122.820 -0.157 0.000 2.609 120 A HA -0.022 4.297 4.320 -0.001 0.000 0.232 120 A C 1.063 178.570 177.584 -0.128 0.000 1.041 120 A CA 0.799 52.760 52.037 -0.127 0.000 0.753 120 A CB -0.097 18.815 19.000 -0.147 0.000 0.966 120 A HN 0.640 nan 8.150 nan 0.000 0.510 121 E N -0.576 119.566 120.200 -0.097 0.000 3.975 121 E HA -0.330 4.019 4.350 -0.001 0.000 0.342 121 E C 0.647 177.192 176.600 -0.093 0.000 0.677 121 E CA 1.638 57.974 56.400 -0.107 0.000 1.238 121 E CB -0.955 28.639 29.700 -0.177 0.000 1.665 121 E HN 0.850 nan 8.360 nan 0.000 0.429 122 R N -0.091 120.357 120.500 -0.086 0.000 2.582 122 R HA 0.429 4.768 4.340 -0.001 0.000 0.285 122 R C 0.690 176.954 176.300 -0.059 0.000 0.940 122 R CA -0.040 56.015 56.100 -0.074 0.000 1.072 122 R CB 0.415 30.660 30.300 -0.091 0.000 1.527 122 R HN 0.196 nan 8.270 nan 0.000 0.538 123 I N 1.955 122.493 120.570 -0.054 0.000 2.472 123 I HA 0.249 4.418 4.170 -0.001 0.000 0.290 123 I C 0.074 176.195 176.117 0.007 0.000 1.016 123 I CA -1.005 60.273 61.300 -0.037 0.000 1.348 123 I CB 0.896 38.865 38.000 -0.053 0.000 1.417 123 I HN 0.144 nan 8.210 nan 0.000 0.521 124 R N 5.281 125.787 120.500 0.012 0.000 2.543 124 R HA 0.046 4.386 4.340 -0.001 0.000 0.277 124 R C 0.397 176.750 176.300 0.088 0.000 1.074 124 R CA 0.028 56.154 56.100 0.042 0.000 1.076 124 R CB 0.604 30.920 30.300 0.026 0.000 0.993 124 R HN 0.737 nan 8.270 nan 0.000 0.459 125 F N 2.559 122.496 119.950 -0.022 0.000 2.102 125 F HA -0.245 4.282 4.527 -0.001 0.000 0.298 125 F C 2.386 178.211 175.800 0.042 0.000 1.105 125 F CA 2.319 60.332 58.000 0.022 0.000 1.239 125 F CB -0.085 38.915 39.000 -0.000 0.000 0.991 125 F HN 0.752 nan 8.300 nan 0.000 0.474 126 S N 0.644 116.413 115.700 0.115 0.000 2.383 126 S HA -0.238 4.231 4.470 -0.001 0.000 0.229 126 S C 2.199 176.776 174.600 -0.038 0.000 1.030 126 S CA 0.926 59.144 58.200 0.029 0.000 1.002 126 S CB -1.253 61.996 63.200 0.080 0.000 0.829 126 S HN 0.462 nan 8.310 nan 0.000 0.467 127 A N 1.467 124.279 122.820 -0.014 0.000 1.877 127 A HA 0.021 4.340 4.320 -0.001 0.000 0.216 127 A C 2.459 180.046 177.584 0.006 0.000 1.186 127 A CA 1.591 53.633 52.037 0.010 0.000 0.620 127 A CB -1.346 17.668 19.000 0.025 0.000 0.822 127 A HN 0.525 nan 8.150 nan 0.000 0.443 128 V N 0.355 120.228 119.914 -0.067 0.000 2.332 128 V HA -0.261 3.858 4.120 -0.001 0.000 0.248 128 V C 2.484 178.557 176.094 -0.035 0.000 1.055 128 V CA 2.322 64.590 62.300 -0.054 0.000 1.038 128 V CB -0.513 31.228 31.823 -0.137 0.000 0.651 128 V HN 0.598 nan 8.190 nan 0.000 0.450 129 L N -0.806 120.315 121.223 -0.169 0.000 2.083 129 L HA -0.187 4.152 4.340 -0.001 0.000 0.209 129 L C 2.344 179.205 176.870 -0.015 0.000 1.083 129 L CA 1.853 56.625 54.840 -0.112 0.000 0.752 129 L CB -0.623 41.342 42.059 -0.157 0.000 0.899 129 L HN 0.282 nan 8.230 nan 0.000 0.433 130 I N -0.692 119.883 120.570 0.009 0.000 2.163 130 I HA -0.313 3.857 4.170 -0.001 0.000 0.240 130 I C 2.513 178.659 176.117 0.049 0.000 1.081 130 I CA 1.440 62.760 61.300 0.033 0.000 1.353 130 I CB -0.346 37.678 38.000 0.039 0.000 1.054 130 I HN 0.120 nan 8.210 nan 0.000 0.407 131 F N 1.256 121.164 119.950 -0.070 0.000 2.120 131 F HA -0.248 4.278 4.527 -0.001 0.000 0.300 131 F C 2.290 178.077 175.800 -0.023 0.000 1.095 131 F CA 1.670 59.599 58.000 -0.119 0.000 1.249 131 F CB -0.449 38.392 39.000 -0.265 0.000 0.995 131 F HN -0.203 nan 8.300 nan 0.000 0.480 132 V N -0.198 119.675 119.914 -0.069 0.000 2.295 132 V HA -0.307 3.812 4.120 -0.001 0.000 0.246 132 V C 2.455 178.523 176.094 -0.044 0.000 1.049 132 V CA 1.720 63.972 62.300 -0.080 0.000 1.024 132 V CB -0.836 31.003 31.823 0.027 0.000 0.648 132 V HN 0.308 nan 8.190 nan 0.000 0.447 133 V N -0.116 119.792 119.914 -0.011 0.000 2.282 133 V HA -0.264 3.855 4.120 -0.001 0.000 0.249 133 V C 2.380 178.490 176.094 0.026 0.000 1.057 133 V CA 2.268 64.588 62.300 0.033 0.000 1.032 133 V CB -0.507 31.341 31.823 0.042 0.000 0.645 133 V HN 0.420 nan 8.190 nan 0.000 0.447 134 V N -1.654 118.239 119.914 -0.035 0.000 2.270 134 V HA -0.259 3.861 4.120 -0.001 0.000 0.245 134 V C 1.955 178.012 176.094 -0.060 0.000 1.043 134 V CA 2.277 64.552 62.300 -0.042 0.000 1.014 134 V CB -0.805 30.983 31.823 -0.059 0.000 0.645 134 V HN 0.740 nan 8.190 nan 0.000 0.447 135 W N 0.556 121.600 121.300 -0.427 0.000 2.355 135 W HA -0.210 4.450 4.660 -0.001 0.000 0.309 135 W C 2.287 178.731 176.519 -0.125 0.000 1.206 135 W CA 1.996 59.088 57.345 -0.421 0.000 1.284 135 W CB -0.327 28.518 29.460 -1.026 0.000 1.145 135 W HN 0.212 nan 8.180 nan 0.000 0.502 136 L N 0.498 121.802 121.223 0.135 0.000 2.012 136 L HA -0.227 4.113 4.340 -0.001 0.000 0.210 136 L C 2.282 179.196 176.870 0.073 0.000 1.073 136 L CA 2.958 57.869 54.840 0.117 0.000 0.748 136 L CB -1.311 40.831 42.059 0.138 0.000 0.891 136 L HN -0.060 nan 8.230 nan 0.000 0.431 137 T N -0.208 114.411 114.554 0.108 0.000 2.777 137 T HA -0.116 4.233 4.350 -0.001 0.000 0.266 137 T C 1.825 176.624 174.700 0.166 0.000 1.040 137 T CA 1.944 64.158 62.100 0.190 0.000 1.141 137 T CB -0.254 68.742 68.868 0.214 0.000 0.868 137 T HN 0.315 nan 8.240 nan 0.000 0.444 138 L N -0.121 121.142 121.223 0.067 0.000 2.513 138 L HA 0.246 4.585 4.340 -0.001 0.000 0.222 138 L C 2.466 179.402 176.870 0.111 0.000 1.096 138 L CA 0.379 55.291 54.840 0.121 0.000 0.857 138 L CB 0.000 42.106 42.059 0.078 0.000 1.026 138 L HN 0.215 nan 8.230 nan 0.000 0.469 139 S N -1.414 114.147 115.700 -0.232 0.000 2.811 139 S HA -0.026 4.443 4.470 -0.001 0.000 0.237 139 S C 1.787 176.038 174.600 -0.582 0.000 1.038 139 S CA -0.080 57.859 58.200 -0.434 0.000 0.881 139 S CB -0.141 62.390 63.200 -1.115 0.000 0.815 139 S HN 0.321 nan 8.310 nan 0.000 0.582 140 Y N 2.274 122.111 120.300 -0.772 0.000 2.089 140 Y HA -0.049 4.500 4.550 -0.001 0.000 0.282 140 Y C 1.954 177.731 175.900 -0.205 0.000 1.139 140 Y CA 2.099 59.933 58.100 -0.443 0.000 1.123 140 Y CB -0.386 37.929 38.460 -0.242 0.000 0.980 140 Y HN 0.279 nan 8.280 nan 0.000 0.493 141 I N 0.148 120.776 120.570 0.097 0.000 2.163 141 I HA -0.252 3.918 4.170 -0.001 0.000 0.243 141 I C -0.808 175.243 176.117 -0.112 0.000 1.085 141 I CA 1.385 62.752 61.300 0.112 0.000 1.347 141 I CB -1.499 36.649 38.000 0.247 0.000 1.044 141 I HN 0.227 nan 8.210 nan 0.000 0.408 142 P HA -0.109 nan 4.420 nan 0.000 0.217 142 P C 1.862 178.794 177.300 -0.614 0.000 1.150 142 P CA 1.488 64.324 63.100 -0.439 0.000 0.832 142 P CB 0.006 31.371 31.700 -0.559 0.000 0.787 143 I N -0.633 119.496 120.570 -0.735 0.000 2.252 143 I HA -0.205 3.964 4.170 -0.001 0.000 0.245 143 I C 2.310 178.037 176.117 -0.650 0.000 1.102 143 I CA 1.329 62.186 61.300 -0.739 0.000 1.385 143 I CB -0.714 36.873 38.000 -0.688 0.000 1.064 143 I HN -0.094 nan 8.210 nan 0.000 0.414 144 A N -0.190 122.225 122.820 -0.676 0.000 1.930 144 A HA -0.266 4.053 4.320 -0.001 0.000 0.217 144 A C 2.334 179.617 177.584 -0.502 0.000 1.175 144 A CA 1.568 53.222 52.037 -0.639 0.000 0.627 144 A CB -0.918 17.769 19.000 -0.522 0.000 0.815 144 A HN 0.507 nan 8.150 nan 0.000 0.443 145 H N -0.677 118.092 119.070 -0.503 0.000 2.395 145 H HA 0.049 4.604 4.556 -0.001 0.000 0.299 145 H C 1.946 177.057 175.328 -0.362 0.000 1.070 145 H CA 1.691 57.480 56.048 -0.432 0.000 1.356 145 H CB -0.149 29.420 29.762 -0.322 0.000 1.401 145 H HN 0.442 nan 8.280 nan 0.000 0.524 146 M N -0.008 119.388 119.600 -0.341 0.000 2.159 146 M HA -0.139 4.340 4.480 -0.001 0.000 0.263 146 M C 2.334 178.427 176.300 -0.345 0.000 1.063 146 M CA 1.152 56.240 55.300 -0.354 0.000 1.110 146 M CB 0.186 32.559 32.600 -0.378 0.000 1.374 146 M HN 0.106 nan 8.290 nan 0.000 0.411 147 V N -2.165 117.508 119.914 -0.402 0.000 2.403 147 V HA -0.118 4.001 4.120 -0.001 0.000 0.239 147 V C 1.370 177.356 176.094 -0.180 0.000 1.041 147 V CA 1.114 63.191 62.300 -0.372 0.000 1.051 147 V CB -0.332 31.114 31.823 -0.628 0.000 0.704 147 V HN 0.540 nan 8.190 nan 0.000 0.472 148 W N 0.506 121.689 121.300 -0.196 0.000 3.220 148 W HA 0.511 5.170 4.660 -0.001 0.000 0.328 148 W C 1.527 177.956 176.519 -0.150 0.000 1.205 148 W CA 0.219 57.508 57.345 -0.094 0.000 1.773 148 W CB -0.309 29.184 29.460 0.056 0.000 1.086 148 W HN 0.334 nan 8.180 nan 0.000 0.622 149 G N -0.587 108.068 108.800 -0.242 0.000 3.899 149 G HA2 0.382 4.341 3.960 -0.001 0.000 0.293 149 G HA3 0.382 4.341 3.960 -0.001 0.000 0.293 149 G C 1.192 175.802 174.900 -0.484 0.000 1.054 149 G CA 0.130 44.980 45.100 -0.416 0.000 0.846 149 G HN 0.231 nan 8.290 nan 0.000 0.525 150 G N -0.761 107.880 108.800 -0.265 0.000 2.184 150 G HA2 -0.104 3.855 3.960 -0.001 0.000 0.264 150 G HA3 -0.104 3.855 3.960 -0.001 0.000 0.264 150 G C 0.986 175.737 174.900 -0.248 0.000 0.975 150 G CA 0.398 45.384 45.100 -0.190 0.000 0.642 150 G HN 1.078 nan 8.290 nan 0.000 0.536 151 G N -0.630 107.916 108.800 -0.423 0.000 2.486 151 G HA2 0.477 4.436 3.960 -0.001 0.000 0.272 151 G HA3 0.477 4.436 3.960 -0.001 0.000 0.272 151 G C 1.393 176.140 174.900 -0.254 0.000 1.426 151 G CA 0.294 45.196 45.100 -0.329 0.000 1.058 151 G HN 1.043 nan 8.290 nan 0.000 0.531 152 L N -0.483 120.530 121.223 -0.351 0.000 1.991 152 L HA -0.187 4.152 4.340 -0.001 0.000 0.221 152 L C 2.766 179.511 176.870 -0.208 0.000 1.079 152 L CA 1.993 56.642 54.840 -0.318 0.000 0.778 152 L CB -0.659 41.123 42.059 -0.463 0.000 0.893 152 L HN 0.491 nan 8.230 nan 0.000 0.437 153 L N -0.898 120.197 121.223 -0.214 0.000 2.046 153 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 153 L C 2.688 179.543 176.870 -0.026 0.000 1.077 153 L CA 1.168 55.928 54.840 -0.133 0.000 0.747 153 L CB -0.976 40.992 42.059 -0.152 0.000 0.896 153 L HN 0.465 nan 8.230 nan 0.000 0.432 154 A N 0.286 123.076 122.820 -0.050 0.000 1.933 154 A HA -0.202 4.118 4.320 -0.001 0.000 0.218 154 A C 2.505 180.118 177.584 0.049 0.000 1.175 154 A CA 1.921 53.965 52.037 0.012 0.000 0.628 154 A CB -0.634 18.355 19.000 -0.018 0.000 0.814 154 A HN 0.522 nan 8.150 nan 0.000 0.444 155 S N -1.253 114.474 115.700 0.045 0.000 2.453 155 S HA -0.137 4.332 4.470 -0.001 0.000 0.231 155 S C 1.506 176.180 174.600 0.123 0.000 1.005 155 S CA 1.337 59.581 58.200 0.074 0.000 0.949 155 S CB -0.604 62.631 63.200 0.059 0.000 0.774 155 S HN 0.652 nan 8.310 nan 0.000 0.510 156 H N 1.294 120.361 119.070 -0.004 0.000 2.539 156 H HA 0.405 4.960 4.556 -0.001 0.000 0.267 156 H C 1.496 176.860 175.328 0.061 0.000 0.982 156 H CA -0.070 55.994 56.048 0.026 0.000 1.146 156 H CB -0.002 29.759 29.762 -0.002 0.000 1.382 156 H HN 0.573 nan 8.280 nan 0.000 0.577 157 G N 0.117 109.005 108.800 0.148 0.000 2.204 157 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.244 157 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.244 157 G C 0.267 175.233 174.900 0.110 0.000 1.062 157 G CA 0.078 45.253 45.100 0.125 0.000 0.798 157 G HN 0.654 nan 8.290 nan 0.000 0.496 158 A N -0.217 122.663 122.820 0.100 0.000 2.407 158 A HA 0.702 5.021 4.320 -0.001 0.000 0.248 158 A C 0.577 178.229 177.584 0.113 0.000 1.082 158 A CA 0.106 52.192 52.037 0.083 0.000 0.785 158 A CB 0.447 19.478 19.000 0.051 0.000 1.020 158 A HN 0.976 nan 8.150 nan 0.000 0.489 159 L N 2.606 123.885 121.223 0.094 0.000 2.295 159 L HA 0.412 4.751 4.340 -0.001 0.000 0.281 159 L C -0.802 176.240 176.870 0.287 0.000 1.018 159 L CA -0.305 54.585 54.840 0.084 0.000 0.841 159 L CB 1.215 43.137 42.059 -0.227 0.000 1.218 159 L HN 0.680 nan 8.230 nan 0.000 0.424 160 D N 2.253 122.955 120.400 0.503 0.000 2.337 160 D HA 0.092 4.731 4.640 -0.001 0.000 0.238 160 D C 0.185 176.948 176.300 0.772 0.000 1.331 160 D CA -0.399 53.935 54.000 0.557 0.000 0.967 160 D CB 1.030 42.036 40.800 0.344 0.000 1.382 160 D HN 0.274 nan 8.370 nan 0.000 0.549 161 F N 2.922 123.236 119.950 0.607 0.000 2.113 161 F HA 0.059 4.585 4.527 -0.001 0.000 0.297 161 F C 1.754 177.765 175.800 0.351 0.000 1.103 161 F CA 1.823 60.041 58.000 0.363 0.000 1.248 161 F CB 0.500 39.576 39.000 0.126 0.000 0.999 161 F HN 0.444 nan 8.300 nan 0.000 0.475 162 A N -1.415 121.803 122.820 0.663 0.000 2.603 162 A HA 0.565 4.884 4.320 -0.001 0.000 0.277 162 A C 0.814 178.982 177.584 0.973 0.000 1.158 162 A CA 0.401 52.816 52.037 0.629 0.000 0.962 162 A CB -0.263 19.157 19.000 0.700 0.000 1.189 162 A HN 0.812 nan 8.150 nan 0.000 0.552 163 G N -1.014 108.366 108.800 0.967 0.000 2.462 163 G HA2 0.101 4.061 3.960 -0.001 0.000 0.124 163 G HA3 0.101 4.061 3.960 -0.001 0.000 0.124 163 G C 0.859 176.089 174.900 0.549 0.000 1.062 163 G CA 0.206 45.707 45.100 0.668 0.000 0.764 163 G HN 1.042 nan 8.290 nan 0.000 0.485 164 G N 0.219 109.306 108.800 0.478 0.000 2.414 164 G HA2 0.121 4.080 3.960 -0.001 0.000 0.215 164 G HA3 0.121 4.080 3.960 -0.001 0.000 0.215 164 G C 1.875 176.956 174.900 0.302 0.000 1.188 164 G CA 2.545 47.901 45.100 0.426 0.000 0.783 164 G HN 1.394 nan 8.290 nan 0.000 0.537 165 T N -0.742 113.910 114.554 0.162 0.000 2.739 165 T HA -0.044 4.306 4.350 -0.001 0.000 0.249 165 T C 2.305 177.002 174.700 -0.005 0.000 1.050 165 T CA 1.477 63.616 62.100 0.066 0.000 1.165 165 T CB -0.819 68.032 68.868 -0.028 0.000 0.872 165 T HN -0.018 nan 8.240 nan 0.000 0.411 166 V N 1.669 121.456 119.914 -0.212 0.000 2.313 166 V HA -0.179 3.940 4.120 -0.001 0.000 0.253 166 V C 2.740 178.784 176.094 -0.084 0.000 1.070 166 V CA 2.040 64.111 62.300 -0.383 0.000 1.057 166 V CB -0.880 30.386 31.823 -0.929 0.000 0.653 166 V HN 0.483 nan 8.190 nan 0.000 0.450 167 V N -1.938 118.031 119.914 0.091 0.000 2.602 167 V HA 0.017 4.136 4.120 -0.001 0.000 0.235 167 V C 2.221 178.360 176.094 0.076 0.000 1.087 167 V CA 0.987 63.376 62.300 0.147 0.000 1.117 167 V CB -0.600 31.312 31.823 0.148 0.000 0.820 167 V HN 0.485 nan 8.190 nan 0.000 0.490 168 H N 0.056 119.313 119.070 0.312 0.000 2.284 168 H HA 0.062 4.618 4.556 -0.001 0.000 0.304 168 H C 2.364 177.857 175.328 0.274 0.000 1.069 168 H CA 1.941 58.173 56.048 0.307 0.000 1.327 168 H CB -0.097 29.883 29.762 0.363 0.000 1.387 168 H HN 0.286 nan 8.280 nan 0.000 0.498 169 I N 1.168 121.955 120.570 0.362 0.000 2.226 169 I HA -0.264 3.905 4.170 -0.001 0.000 0.245 169 I C 2.517 178.833 176.117 0.331 0.000 1.100 169 I CA 0.831 62.313 61.300 0.303 0.000 1.374 169 I CB -0.258 37.887 38.000 0.242 0.000 1.057 169 I HN 0.170 nan 8.210 nan 0.000 0.413 170 N N 1.280 120.173 118.700 0.321 0.000 2.036 170 N HA -0.198 4.541 4.740 -0.001 0.000 0.195 170 N C 1.839 177.678 175.510 0.549 0.000 1.037 170 N CA 2.128 55.439 53.050 0.436 0.000 0.855 170 N CB -0.209 38.509 38.487 0.386 0.000 1.033 170 N HN 0.377 nan 8.380 nan 0.000 0.423 171 A N 0.347 123.397 122.820 0.384 0.000 1.873 171 A HA 0.122 4.442 4.320 -0.001 0.000 0.215 171 A C 2.383 180.083 177.584 0.194 0.000 1.186 171 A CA 1.971 54.115 52.037 0.178 0.000 0.616 171 A CB -1.093 17.954 19.000 0.077 0.000 0.823 171 A HN 0.402 nan 8.150 nan 0.000 0.442 172 A N 0.131 123.126 122.820 0.292 0.000 1.883 172 A HA -0.118 4.201 4.320 -0.001 0.000 0.217 172 A C 2.028 179.885 177.584 0.456 0.000 1.186 172 A CA 1.769 54.036 52.037 0.384 0.000 0.624 172 A CB -0.528 18.707 19.000 0.391 0.000 0.822 172 A HN 0.413 nan 8.150 nan 0.000 0.444 173 I N -0.145 120.687 120.570 0.438 0.000 2.202 173 I HA -0.220 3.949 4.170 -0.001 0.000 0.242 173 I C 2.985 179.295 176.117 0.321 0.000 1.091 173 I CA 1.400 62.928 61.300 0.380 0.000 1.368 173 I CB -1.671 36.557 38.000 0.381 0.000 1.058 173 I HN 0.371 nan 8.210 nan 0.000 0.410 174 A N 1.020 124.038 122.820 0.329 0.000 1.917 174 A HA -0.156 4.163 4.320 -0.001 0.000 0.219 174 A C 2.494 180.188 177.584 0.183 0.000 1.182 174 A CA 2.103 54.295 52.037 0.259 0.000 0.633 174 A CB -1.335 17.585 19.000 -0.133 0.000 0.819 174 A HN 0.447 nan 8.150 nan 0.000 0.448 175 G N -0.776 108.086 108.800 0.104 0.000 2.394 175 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.215 175 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.215 175 G C 1.544 176.446 174.900 0.004 0.000 1.165 175 G CA 0.753 45.869 45.100 0.027 0.000 0.784 175 G HN 0.399 nan 8.290 nan 0.000 0.535 176 L N 0.681 121.948 121.223 0.073 0.000 2.042 176 L HA -0.115 4.225 4.340 -0.001 0.000 0.210 176 L C 2.973 179.890 176.870 0.079 0.000 1.076 176 L CA 1.180 56.022 54.840 0.003 0.000 0.749 176 L CB -0.232 41.787 42.059 -0.066 0.000 0.893 176 L HN 0.147 nan 8.230 nan 0.000 0.432 177 V N -0.282 119.712 119.914 0.134 0.000 2.343 177 V HA -0.206 3.913 4.120 -0.001 0.000 0.247 177 V C 2.651 178.632 176.094 -0.188 0.000 1.051 177 V CA 1.807 64.193 62.300 0.143 0.000 1.036 177 V CB -1.280 30.740 31.823 0.329 0.000 0.654 177 V HN 0.611 nan 8.190 nan 0.000 0.451 178 G N -0.333 108.163 108.800 -0.507 0.000 2.418 178 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.217 178 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.217 178 G C 1.779 176.345 174.900 -0.557 0.000 1.158 178 G CA 1.062 45.496 45.100 -1.110 0.000 0.771 178 G HN 0.602 nan 8.290 nan 0.000 0.545 179 A N 0.036 122.645 122.820 -0.351 0.000 1.877 179 A HA -0.002 4.317 4.320 -0.001 0.000 0.216 179 A C 2.211 179.615 177.584 -0.299 0.000 1.186 179 A CA 1.517 53.359 52.037 -0.325 0.000 0.620 179 A CB -0.694 18.102 19.000 -0.341 0.000 0.822 179 A HN 0.443 nan 8.150 nan 0.000 0.443 180 Y N -0.178 119.986 120.300 -0.226 0.000 2.114 180 Y HA -0.161 4.388 4.550 -0.001 0.000 0.284 180 Y C 2.327 178.125 175.900 -0.170 0.000 1.143 180 Y CA 1.589 59.584 58.100 -0.174 0.000 1.135 180 Y CB -0.231 38.152 38.460 -0.129 0.000 0.980 180 Y HN 0.175 nan 8.280 nan 0.000 0.499 181 L N -0.040 121.159 121.223 -0.039 0.000 2.093 181 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 181 L C 2.168 178.952 176.870 -0.143 0.000 1.085 181 L CA 1.352 56.133 54.840 -0.098 0.000 0.755 181 L CB -0.488 41.472 42.059 -0.166 0.000 0.904 181 L HN 0.404 nan 8.230 nan 0.000 0.435 182 I N -2.701 117.740 120.570 -0.215 0.000 3.578 182 I HA 0.321 4.490 4.170 -0.001 0.000 0.295 182 I C 1.042 177.072 176.117 -0.145 0.000 1.280 182 I CA 0.312 61.504 61.300 -0.179 0.000 1.347 182 I CB -0.581 37.293 38.000 -0.210 0.000 1.051 182 I HN 0.172 nan 8.210 nan 0.000 0.460 183 G N 2.109 110.820 108.800 -0.148 0.000 2.860 183 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.553 183 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.553 183 G C -0.595 174.184 174.900 -0.201 0.000 1.439 183 G CA -0.382 44.630 45.100 -0.146 0.000 0.879 183 G HN 0.525 nan 8.290 nan 0.000 0.545 184 K N 0.431 120.694 120.400 -0.227 0.000 2.355 184 K HA 0.291 4.610 4.320 -0.001 0.000 0.270 184 K C 1.308 177.825 176.600 -0.138 0.000 1.003 184 K CA -0.046 56.054 56.287 -0.311 0.000 0.957 184 K CB 0.458 32.727 32.500 -0.385 0.000 0.939 184 K HN 0.548 nan 8.250 nan 0.000 0.482 185 R N 0.702 121.152 120.500 -0.083 0.000 2.738 185 R HA 0.070 4.410 4.340 -0.001 0.000 0.268 185 R C -0.226 176.163 176.300 0.149 0.000 1.062 185 R CA -0.496 55.611 56.100 0.012 0.000 1.158 185 R CB 0.433 30.713 30.300 -0.034 0.000 1.046 185 R HN 0.275 nan 8.270 nan 0.000 0.493 186 V N 1.973 121.958 119.914 0.118 0.000 2.673 186 V HA 0.106 4.225 4.120 -0.001 0.000 0.303 186 V C 1.413 177.683 176.094 0.292 0.000 1.046 186 V CA 1.735 64.128 62.300 0.155 0.000 1.126 186 V CB 0.889 32.767 31.823 0.091 0.000 0.934 186 V HN 1.115 nan 8.190 nan 0.000 0.487 187 G N 4.455 113.389 108.800 0.223 0.000 2.179 187 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.260 187 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.260 187 G C 0.125 175.095 174.900 0.117 0.000 0.977 187 G CA 0.173 45.369 45.100 0.161 0.000 0.641 187 G HN 0.795 nan 8.290 nan 0.000 0.533 188 F N 1.726 121.769 119.950 0.156 0.000 2.590 188 F HA 0.374 4.900 4.527 -0.001 0.000 0.389 188 F C 1.618 177.412 175.800 -0.011 0.000 1.049 188 F CA 1.784 59.864 58.000 0.134 0.000 1.199 188 F CB 0.423 39.519 39.000 0.160 0.000 1.058 188 F HN 1.123 nan 8.300 nan 0.000 0.556 189 G N 4.449 112.887 108.800 -0.602 0.000 2.179 189 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.260 189 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.260 189 G C 0.878 175.632 174.900 -0.245 0.000 0.977 189 G CA 0.667 45.526 45.100 -0.403 0.000 0.641 189 G HN 0.692 nan 8.290 nan 0.000 0.533 190 K N -0.203 120.053 120.400 -0.240 0.000 2.435 190 K HA 0.356 4.675 4.320 -0.001 0.000 0.199 190 K C 0.621 177.079 176.600 -0.237 0.000 1.153 190 K CA 0.343 56.525 56.287 -0.176 0.000 0.974 190 K CB 0.898 33.344 32.500 -0.090 0.000 0.997 190 K HN 0.462 nan 8.250 nan 0.000 0.547 191 E N 0.532 120.487 120.200 -0.408 0.000 2.336 191 E HA 0.541 4.890 4.350 -0.001 0.000 0.267 191 E C -1.399 174.780 176.600 -0.701 0.000 0.906 191 E CA -1.068 55.048 56.400 -0.475 0.000 0.781 191 E CB 2.039 31.489 29.700 -0.417 0.000 1.261 191 E HN 0.125 nan 8.360 nan 0.000 0.436 192 A N 2.175 124.735 122.820 -0.433 0.000 2.404 192 A HA 0.368 4.687 4.320 -0.001 0.000 0.273 192 A C -0.837 176.619 177.584 -0.214 0.000 1.144 192 A CA -0.012 51.840 52.037 -0.308 0.000 0.806 192 A CB -0.470 18.450 19.000 -0.133 0.000 1.080 192 A HN 0.569 nan 8.150 nan 0.000 0.509 193 F N 3.094 123.017 119.950 -0.045 0.000 2.310 193 F HA 0.259 4.785 4.527 -0.001 0.000 0.365 193 F C 0.505 176.300 175.800 -0.009 0.000 1.080 193 F CA -0.545 57.445 58.000 -0.017 0.000 1.187 193 F CB 1.115 40.111 39.000 -0.006 0.000 1.465 193 F HN 0.505 nan 8.300 nan 0.000 0.496 194 K N 3.058 123.567 120.400 0.183 0.000 2.110 194 K HA 0.397 4.717 4.320 -0.001 0.000 0.263 194 K C -2.585 174.075 176.600 0.101 0.000 0.975 194 K CA -1.975 54.373 56.287 0.101 0.000 0.895 194 K CB 0.772 33.308 32.500 0.061 0.000 1.060 194 K HN 0.116 nan 8.250 nan 0.000 0.448 195 P HA -0.070 nan 4.420 nan 0.000 0.266 195 P C 0.108 177.443 177.300 0.059 0.000 1.215 195 P CA 0.164 63.293 63.100 0.049 0.000 0.763 195 P CB 0.317 32.003 31.700 -0.023 0.000 0.806 196 H N 2.412 121.492 119.070 0.018 0.000 2.423 196 H HA -0.036 4.519 4.556 -0.001 0.000 0.297 196 H C -0.165 175.169 175.328 0.010 0.000 1.075 196 H CA 1.122 57.187 56.048 0.028 0.000 1.342 196 H CB 0.170 29.973 29.762 0.068 0.000 1.395 196 H HN 0.238 nan 8.280 nan 0.000 0.530 197 N N 0.423 118.721 118.700 -0.669 0.000 2.675 197 N HA 0.141 4.880 4.740 -0.001 0.000 0.254 197 N C 0.680 176.034 175.510 -0.260 0.000 1.224 197 N CA -0.274 52.466 53.050 -0.516 0.000 0.777 197 N CB 0.735 38.767 38.487 -0.757 0.000 1.256 197 N HN 0.169 nan 8.380 nan 0.000 0.531 198 L N 2.225 123.355 121.223 -0.155 0.000 2.046 198 L HA -0.001 4.338 4.340 -0.001 0.000 0.208 198 L C -0.685 176.168 176.870 -0.028 0.000 1.077 198 L CA 1.270 56.057 54.840 -0.088 0.000 0.747 198 L CB -0.967 41.045 42.059 -0.078 0.000 0.896 198 L HN 0.358 nan 8.230 nan 0.000 0.432 199 P HA -0.236 nan 4.420 nan 0.000 0.217 199 P C 1.749 179.100 177.300 0.085 0.000 1.148 199 P CA 1.604 64.727 63.100 0.037 0.000 0.828 199 P CB -0.017 31.675 31.700 -0.015 0.000 0.783 200 M N -0.890 118.709 119.600 -0.002 0.000 2.132 200 M HA -0.123 4.356 4.480 -0.001 0.000 0.263 200 M C 1.637 177.949 176.300 0.019 0.000 1.065 200 M CA 1.783 57.086 55.300 0.004 0.000 1.122 200 M CB -0.440 32.136 32.600 -0.040 0.000 1.365 200 M HN -0.238 nan 8.290 nan 0.000 0.411 201 V N 0.715 120.625 119.914 -0.007 0.000 2.287 201 V HA -0.299 3.821 4.120 -0.001 0.000 0.248 201 V C 2.216 178.379 176.094 0.115 0.000 1.053 201 V CA 2.280 64.575 62.300 -0.008 0.000 1.027 201 V CB -1.234 30.525 31.823 -0.108 0.000 0.646 201 V HN 0.615 nan 8.190 nan 0.000 0.447 202 F N 1.771 121.715 119.950 -0.010 0.000 2.095 202 F HA -0.250 4.277 4.527 -0.001 0.000 0.298 202 F C 2.446 178.252 175.800 0.009 0.000 1.104 202 F CA 2.424 60.420 58.000 -0.006 0.000 1.232 202 F CB -0.833 38.141 39.000 -0.042 0.000 0.987 202 F HN 0.140 nan 8.300 nan 0.000 0.475 203 T N 0.092 114.595 114.554 -0.085 0.000 2.699 203 T HA -0.174 4.175 4.350 -0.001 0.000 0.268 203 T C 2.145 176.724 174.700 -0.202 0.000 1.036 203 T CA 1.569 63.566 62.100 -0.172 0.000 1.147 203 T CB -1.333 67.531 68.868 -0.006 0.000 0.862 203 T HN 0.502 nan 8.240 nan 0.000 0.446 204 G N 1.129 109.877 108.800 -0.086 0.000 2.402 204 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.216 204 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.216 204 G C 1.728 176.551 174.900 -0.128 0.000 1.162 204 G CA 1.399 46.462 45.100 -0.062 0.000 0.777 204 G HN 0.479 nan 8.290 nan 0.000 0.539 205 T N 1.898 116.405 114.554 -0.078 0.000 2.684 205 T HA -0.045 4.304 4.350 -0.001 0.000 0.267 205 T C 2.818 177.359 174.700 -0.265 0.000 1.036 205 T CA 1.661 63.638 62.100 -0.206 0.000 1.148 205 T CB -0.476 68.316 68.868 -0.127 0.000 0.863 205 T HN 0.371 nan 8.240 nan 0.000 0.436 206 A N 1.118 123.687 122.820 -0.419 0.000 1.883 206 A HA -0.051 4.268 4.320 -0.001 0.000 0.217 206 A C 2.336 179.851 177.584 -0.116 0.000 1.186 206 A CA 1.390 53.226 52.037 -0.334 0.000 0.624 206 A CB -0.866 17.794 19.000 -0.567 0.000 0.822 206 A HN 0.521 nan 8.150 nan 0.000 0.444 207 I N -0.594 119.845 120.570 -0.218 0.000 2.226 207 I HA -0.247 3.922 4.170 -0.001 0.000 0.245 207 I C 2.379 178.339 176.117 -0.262 0.000 1.100 207 I CA 1.040 62.146 61.300 -0.324 0.000 1.374 207 I CB -0.276 37.345 38.000 -0.632 0.000 1.057 207 I HN 0.286 nan 8.210 nan 0.000 0.413 208 L N -0.586 120.510 121.223 -0.213 0.000 2.079 208 L HA -0.272 4.067 4.340 -0.001 0.000 0.210 208 L C 2.611 179.543 176.870 0.105 0.000 1.081 208 L CA 1.497 56.264 54.840 -0.122 0.000 0.752 208 L CB -0.646 41.324 42.059 -0.149 0.000 0.896 208 L HN 0.284 nan 8.230 nan 0.000 0.433 209 Y N 0.399 120.669 120.300 -0.051 0.000 2.109 209 Y HA -0.253 4.296 4.550 -0.001 0.000 0.285 209 Y C 2.459 178.395 175.900 0.060 0.000 1.131 209 Y CA 1.492 59.557 58.100 -0.059 0.000 1.121 209 Y CB -0.070 38.327 38.460 -0.105 0.000 0.987 209 Y HN -0.060 nan 8.280 nan 0.000 0.495 210 I N 0.657 121.318 120.570 0.152 0.000 2.264 210 I HA -0.250 3.919 4.170 -0.001 0.000 0.248 210 I C 2.624 178.905 176.117 0.272 0.000 1.111 210 I CA 1.722 63.176 61.300 0.257 0.000 1.382 210 I CB -2.102 36.084 38.000 0.309 0.000 1.060 210 I HN 0.463 nan 8.210 nan 0.000 0.418 211 G N -0.711 108.196 108.800 0.178 0.000 2.422 211 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.218 211 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.218 211 G C 1.560 176.513 174.900 0.087 0.000 1.140 211 G CA -0.060 45.134 45.100 0.156 0.000 0.775 211 G HN 0.348 nan 8.290 nan 0.000 0.545 212 W N 0.831 122.011 121.300 -0.199 0.000 2.392 212 W HA -0.015 4.644 4.660 -0.001 0.000 0.279 212 W C 1.896 178.290 176.519 -0.208 0.000 1.225 212 W CA 0.521 57.693 57.345 -0.287 0.000 1.233 212 W CB -0.446 28.709 29.460 -0.507 0.000 1.122 212 W HN 0.265 nan 8.180 nan 0.000 0.561 213 F N 0.226 120.200 119.950 0.040 0.000 2.216 213 F HA -0.119 4.407 4.527 -0.001 0.000 0.300 213 F C 2.643 178.501 175.800 0.096 0.000 1.085 213 F CA 1.770 59.699 58.000 -0.120 0.000 1.326 213 F CB -1.292 37.441 39.000 -0.444 0.000 1.027 213 F HN -0.164 nan 8.300 nan 0.000 0.497 214 G N -1.464 107.510 108.800 0.290 0.000 2.464 214 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.217 214 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.217 214 G C 1.563 176.684 174.900 0.369 0.000 1.138 214 G CA 0.190 45.425 45.100 0.225 0.000 0.793 214 G HN 0.358 nan 8.290 nan 0.000 0.539 215 F N 1.582 121.619 119.950 0.145 0.000 2.098 215 F HA 0.011 4.538 4.527 -0.001 0.000 0.294 215 F C 2.493 178.534 175.800 0.402 0.000 1.107 215 F CA 1.494 59.539 58.000 0.075 0.000 1.234 215 F CB 0.139 38.877 39.000 -0.437 0.000 1.002 215 F HN 0.020 nan 8.300 nan 0.000 0.472 216 N N 0.611 119.720 118.700 0.681 0.000 2.148 216 N HA -0.053 4.687 4.740 -0.001 0.000 0.186 216 N C 1.898 177.745 175.510 0.562 0.000 1.031 216 N CA 1.530 54.961 53.050 0.635 0.000 0.848 216 N CB -0.977 37.818 38.487 0.514 0.000 1.005 216 N HN 0.362 nan 8.380 nan 0.000 0.427 217 A N 0.534 123.638 122.820 0.475 0.000 1.898 217 A HA 0.043 4.363 4.320 -0.001 0.000 0.216 217 A C 2.268 180.119 177.584 0.446 0.000 1.181 217 A CA 1.794 54.139 52.037 0.514 0.000 0.620 217 A CB -1.186 18.200 19.000 0.643 0.000 0.819 217 A HN 0.354 nan 8.150 nan 0.000 0.442 218 G N -0.840 108.109 108.800 0.249 0.000 2.498 218 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.219 218 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.219 218 G C 1.523 176.355 174.900 -0.113 0.000 1.119 218 G CA 1.125 46.153 45.100 -0.119 0.000 0.766 218 G HN 0.473 nan 8.290 nan 0.000 0.552 219 S N 0.546 116.349 115.700 0.172 0.000 2.555 219 S HA 0.149 4.618 4.470 -0.001 0.000 0.230 219 S C 2.527 176.917 174.600 -0.350 0.000 0.978 219 S CA 0.649 58.760 58.200 -0.148 0.000 0.934 219 S CB -0.014 63.004 63.200 -0.303 0.000 0.766 219 S HN 0.576 nan 8.310 nan 0.000 0.533 220 A N 0.832 123.679 122.820 0.045 0.000 2.014 220 A HA 0.382 4.701 4.320 -0.001 0.000 0.218 220 A C 1.962 179.542 177.584 -0.007 0.000 1.163 220 A CA 1.155 53.280 52.037 0.147 0.000 0.652 220 A CB -0.868 18.318 19.000 0.310 0.000 0.808 220 A HN 0.884 nan 8.150 nan 0.000 0.449 221 G N -2.221 106.538 108.800 -0.070 0.000 2.179 221 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.260 221 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.260 221 G C 0.453 175.336 174.900 -0.029 0.000 0.977 221 G CA 1.268 46.294 45.100 -0.124 0.000 0.641 221 G HN 1.853 nan 8.290 nan 0.000 0.533 222 T N -2.406 112.199 114.554 0.084 0.000 2.827 222 T HA 0.682 5.032 4.350 -0.001 0.000 0.328 222 T C -0.208 174.502 174.700 0.016 0.000 1.598 222 T CA 0.622 62.766 62.100 0.073 0.000 1.043 222 T CB 0.942 69.802 68.868 -0.013 0.000 1.447 222 T HN 1.754 nan 8.240 nan 0.000 0.491 223 A N 3.610 126.278 122.820 -0.253 0.000 3.118 223 A HA 0.470 4.790 4.320 -0.001 0.000 0.256 223 A C 0.634 178.010 177.584 -0.346 0.000 1.667 223 A CA -0.435 51.170 52.037 -0.720 0.000 1.338 223 A CB -1.444 16.994 19.000 -0.937 0.000 1.127 223 A HN 0.819 nan 8.150 nan 0.000 0.634 224 N N -0.347 118.241 118.700 -0.186 0.000 2.717 224 N HA 0.127 4.866 4.740 -0.001 0.000 0.314 224 N C 1.025 176.489 175.510 -0.076 0.000 1.324 224 N CA -0.060 52.927 53.050 -0.105 0.000 0.902 224 N CB 0.084 38.542 38.487 -0.049 0.000 1.126 224 N HN 0.232 nan 8.380 nan 0.000 0.579 225 E N 0.162 120.337 120.200 -0.042 0.000 2.208 225 E HA -0.087 4.263 4.350 -0.001 0.000 0.193 225 E C 1.638 178.235 176.600 -0.004 0.000 0.988 225 E CA 0.909 57.292 56.400 -0.028 0.000 0.828 225 E CB -0.477 29.209 29.700 -0.022 0.000 0.763 225 E HN 0.693 nan 8.360 nan 0.000 0.478 226 I N 1.560 122.139 120.570 0.015 0.000 2.315 226 I HA -0.172 3.997 4.170 -0.001 0.000 0.248 226 I C 2.729 178.888 176.117 0.070 0.000 1.117 226 I CA 1.091 62.408 61.300 0.027 0.000 1.404 226 I CB -0.473 37.574 38.000 0.078 0.000 1.071 226 I HN 0.114 nan 8.210 nan 0.000 0.419 227 A N 1.008 123.899 122.820 0.118 0.000 1.930 227 A HA -0.068 4.251 4.320 -0.001 0.000 0.217 227 A C 2.573 180.276 177.584 0.200 0.000 1.175 227 A CA 1.627 53.792 52.037 0.214 0.000 0.627 227 A CB -0.655 18.454 19.000 0.182 0.000 0.815 227 A HN 0.415 nan 8.150 nan 0.000 0.443 228 A N -0.478 122.388 122.820 0.077 0.000 1.933 228 A HA -0.011 4.308 4.320 -0.001 0.000 0.218 228 A C 2.113 179.761 177.584 0.107 0.000 1.175 228 A CA 1.703 53.773 52.037 0.056 0.000 0.628 228 A CB -0.532 18.453 19.000 -0.027 0.000 0.814 228 A HN 0.669 nan 8.150 nan 0.000 0.444 229 L N -0.348 120.914 121.223 0.064 0.000 2.027 229 L HA 0.035 4.374 4.340 -0.001 0.000 0.206 229 L C 2.626 179.532 176.870 0.059 0.000 1.074 229 L CA 2.208 57.070 54.840 0.036 0.000 0.745 229 L CB -0.837 41.203 42.059 -0.032 0.000 0.898 229 L HN 0.302 nan 8.230 nan 0.000 0.433 230 A N -1.117 121.735 122.820 0.053 0.000 1.930 230 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 230 A C 2.228 179.947 177.584 0.226 0.000 1.175 230 A CA 1.680 53.761 52.037 0.074 0.000 0.627 230 A CB -1.093 17.966 19.000 0.098 0.000 0.815 230 A HN 0.515 nan 8.150 nan 0.000 0.443 231 F N 0.623 120.686 119.950 0.189 0.000 2.051 231 F HA -0.163 4.364 4.527 -0.001 0.000 0.296 231 F C 2.395 178.343 175.800 0.246 0.000 1.122 231 F CA 1.983 60.157 58.000 0.289 0.000 1.201 231 F CB -0.579 38.556 39.000 0.226 0.000 0.978 231 F HN 0.027 nan 8.300 nan 0.000 0.472 232 V N 0.907 121.112 119.914 0.485 0.000 2.282 232 V HA -0.371 3.749 4.120 -0.001 0.000 0.249 232 V C 2.139 178.356 176.094 0.205 0.000 1.057 232 V CA 2.265 64.755 62.300 0.318 0.000 1.032 232 V CB -0.849 31.082 31.823 0.181 0.000 0.645 232 V HN 0.375 nan 8.190 nan 0.000 0.447 233 N N -0.276 118.505 118.700 0.135 0.000 2.364 233 N HA -0.117 4.623 4.740 -0.001 0.000 0.183 233 N C 1.821 177.350 175.510 0.032 0.000 1.022 233 N CA 1.633 54.720 53.050 0.062 0.000 0.883 233 N CB -0.392 38.108 38.487 0.021 0.000 0.965 233 N HN 0.490 nan 8.380 nan 0.000 0.438 234 T N 0.305 114.881 114.554 0.037 0.000 2.812 234 T HA -0.000 4.349 4.350 -0.001 0.000 0.264 234 T C 2.159 176.850 174.700 -0.016 0.000 1.042 234 T CA 0.598 62.630 62.100 -0.113 0.000 1.140 234 T CB -0.143 68.522 68.868 -0.337 0.000 0.870 234 T HN -0.049 nan 8.240 nan 0.000 0.445 235 V N 1.470 121.506 119.914 0.203 0.000 2.255 235 V HA -0.169 3.950 4.120 -0.001 0.000 0.247 235 V C 2.666 178.863 176.094 0.172 0.000 1.051 235 V CA 1.466 63.950 62.300 0.307 0.000 1.018 235 V CB -0.869 31.160 31.823 0.344 0.000 0.641 235 V HN 0.297 nan 8.190 nan 0.000 0.445 236 V N 0.386 120.369 119.914 0.116 0.000 2.233 236 V HA -0.291 3.828 4.120 -0.001 0.000 0.247 236 V C 2.737 178.842 176.094 0.017 0.000 1.050 236 V CA 2.302 64.639 62.300 0.062 0.000 1.010 236 V CB -1.280 30.571 31.823 0.047 0.000 0.637 236 V HN 0.566 nan 8.190 nan 0.000 0.444 237 A N -0.320 122.489 122.820 -0.018 0.000 1.933 237 A HA -0.216 4.103 4.320 -0.001 0.000 0.218 237 A C 2.380 179.923 177.584 -0.069 0.000 1.175 237 A CA 2.467 54.469 52.037 -0.058 0.000 0.628 237 A CB -0.989 17.955 19.000 -0.093 0.000 0.814 237 A HN 0.540 nan 8.150 nan 0.000 0.444 238 T N 0.423 114.932 114.554 -0.074 0.000 2.708 238 T HA -0.038 4.311 4.350 -0.001 0.000 0.266 238 T C 2.233 176.897 174.700 -0.061 0.000 1.037 238 T CA 1.657 63.700 62.100 -0.096 0.000 1.146 238 T CB -0.487 68.363 68.868 -0.029 0.000 0.865 238 T HN 0.597 nan 8.240 nan 0.000 0.435 239 A N 1.525 124.340 122.820 -0.009 0.000 1.902 239 A HA 0.183 4.503 4.320 -0.001 0.000 0.217 239 A C 2.676 180.278 177.584 0.030 0.000 1.181 239 A CA 1.818 53.860 52.037 0.009 0.000 0.623 239 A CB -1.172 17.855 19.000 0.044 0.000 0.818 239 A HN 0.507 nan 8.150 nan 0.000 0.443 240 A N -0.112 122.724 122.820 0.026 0.000 1.902 240 A HA 0.128 4.448 4.320 -0.001 0.000 0.217 240 A C 2.508 180.126 177.584 0.057 0.000 1.181 240 A CA 2.228 54.288 52.037 0.038 0.000 0.623 240 A CB -1.022 17.983 19.000 0.007 0.000 0.818 240 A HN 1.066 nan 8.150 nan 0.000 0.443 241 A N -0.234 122.605 122.820 0.031 0.000 1.898 241 A HA -0.038 4.281 4.320 -0.001 0.000 0.216 241 A C 2.124 179.780 177.584 0.119 0.000 1.181 241 A CA 1.409 53.486 52.037 0.066 0.000 0.620 241 A CB -0.578 18.429 19.000 0.012 0.000 0.819 241 A HN 0.492 nan 8.150 nan 0.000 0.442 242 I N -0.371 120.229 120.570 0.051 0.000 2.163 242 I HA -0.283 3.886 4.170 -0.001 0.000 0.243 242 I C 2.388 178.579 176.117 0.124 0.000 1.085 242 I CA 1.303 62.626 61.300 0.038 0.000 1.347 242 I CB -0.308 37.672 38.000 -0.034 0.000 1.044 242 I HN 0.299 nan 8.210 nan 0.000 0.408 243 L N 0.127 121.444 121.223 0.156 0.000 2.093 243 L HA -0.109 4.231 4.340 -0.001 0.000 0.208 243 L C 2.658 179.746 176.870 0.364 0.000 1.085 243 L CA 1.397 56.406 54.840 0.282 0.000 0.755 243 L CB -1.111 41.115 42.059 0.278 0.000 0.904 243 L HN 0.312 nan 8.230 nan 0.000 0.435 244 G N -0.462 108.490 108.800 0.253 0.000 2.511 244 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.216 244 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.216 244 G C 1.302 176.369 174.900 0.279 0.000 1.218 244 G CA 0.499 45.735 45.100 0.227 0.000 0.788 244 G HN 0.381 nan 8.290 nan 0.000 0.560 245 W N 1.226 122.579 121.300 0.089 0.000 2.311 245 W HA -0.145 4.515 4.660 -0.001 0.000 0.326 245 W C 2.382 178.948 176.519 0.077 0.000 1.239 245 W CA 1.250 58.639 57.345 0.073 0.000 1.258 245 W CB -0.775 28.705 29.460 0.033 0.000 1.165 245 W HN 0.117 nan 8.180 nan 0.000 0.466 246 I N 0.451 121.264 120.570 0.405 0.000 2.113 246 I HA -0.351 3.818 4.170 -0.001 0.000 0.242 246 I C 2.434 178.640 176.117 0.147 0.000 1.057 246 I CA 1.909 63.305 61.300 0.160 0.000 1.314 246 I CB -1.798 36.153 38.000 -0.082 0.000 1.022 246 I HN -0.111 nan 8.210 nan 0.000 0.408 247 F N 0.547 120.671 119.950 0.289 0.000 2.325 247 F HA -0.032 4.494 4.527 -0.001 0.000 0.299 247 F C 2.507 178.422 175.800 0.191 0.000 1.090 247 F CA 1.100 59.259 58.000 0.265 0.000 1.392 247 F CB -1.068 38.026 39.000 0.156 0.000 1.053 247 F HN 0.078 nan 8.300 nan 0.000 0.521 248 G N -0.757 108.217 108.800 0.291 0.000 2.402 248 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.216 248 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.216 248 G C 1.595 176.576 174.900 0.135 0.000 1.162 248 G CA 0.581 45.766 45.100 0.142 0.000 0.777 248 G HN 0.334 nan 8.290 nan 0.000 0.539 249 E N -0.835 119.469 120.200 0.175 0.000 2.047 249 E HA -0.113 4.236 4.350 -0.001 0.000 0.191 249 E C 2.103 178.848 176.600 0.241 0.000 0.987 249 E CA 0.505 57.018 56.400 0.188 0.000 0.799 249 E CB -0.193 29.678 29.700 0.284 0.000 0.752 249 E HN 0.477 nan 8.360 nan 0.000 0.449 250 W N 1.112 122.447 121.300 0.058 0.000 2.338 250 W HA -0.152 4.507 4.660 -0.001 0.000 0.304 250 W C 2.112 178.668 176.519 0.062 0.000 1.212 250 W CA 1.959 59.327 57.345 0.038 0.000 1.264 250 W CB -0.671 28.791 29.460 0.003 0.000 1.142 250 W HN 0.124 nan 8.180 nan 0.000 0.512 251 A N -0.602 122.397 122.820 0.300 0.000 1.898 251 A HA -0.048 4.271 4.320 -0.001 0.000 0.214 251 A C 2.189 179.845 177.584 0.119 0.000 1.183 251 A CA 1.449 53.575 52.037 0.147 0.000 0.622 251 A CB -0.823 18.237 19.000 0.100 0.000 0.824 251 A HN 0.243 nan 8.150 nan 0.000 0.444 252 L N -1.426 119.866 121.223 0.116 0.000 2.354 252 L HA 0.079 4.418 4.340 -0.001 0.000 0.212 252 L C 2.522 179.442 176.870 0.084 0.000 1.091 252 L CA 0.387 55.275 54.840 0.081 0.000 0.828 252 L CB -0.096 41.998 42.059 0.057 0.000 0.973 252 L HN 0.208 nan 8.230 nan 0.000 0.461 253 R N -0.706 119.858 120.500 0.108 0.000 2.225 253 R HA 0.303 4.642 4.340 -0.001 0.000 0.194 253 R C 1.384 177.745 176.300 0.101 0.000 0.957 253 R CA 0.976 57.132 56.100 0.093 0.000 1.042 253 R CB 0.678 31.034 30.300 0.093 0.000 1.004 253 R HN 0.358 nan 8.270 nan 0.000 0.509 254 G N 1.397 110.288 108.800 0.152 0.000 2.617 254 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.197 254 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.197 254 G C -0.175 174.855 174.900 0.216 0.000 1.017 254 G CA -0.030 45.172 45.100 0.170 0.000 0.713 254 G HN 0.301 nan 8.290 nan 0.000 0.481 255 K N 0.109 120.558 120.400 0.081 0.000 2.536 255 K HA 0.625 4.945 4.320 -0.001 0.000 0.269 255 K C -3.463 172.943 176.600 -0.323 0.000 0.965 255 K CA -2.033 54.134 56.287 -0.201 0.000 0.860 255 K CB 3.174 35.563 32.500 -0.186 0.000 1.423 255 K HN 0.044 nan 8.250 nan 0.000 0.438 256 P HA 0.022 nan 4.420 nan 0.000 0.280 256 P C -0.353 176.746 177.300 -0.336 0.000 1.386 256 P CA -0.102 62.692 63.100 -0.509 0.000 0.899 256 P CB 0.983 32.152 31.700 -0.886 0.000 1.098 257 S N 3.369 118.964 115.700 -0.175 0.000 2.632 257 S HA 0.166 4.635 4.470 -0.001 0.000 0.267 257 S C 1.180 175.685 174.600 -0.158 0.000 1.276 257 S CA -0.649 57.465 58.200 -0.143 0.000 0.998 257 S CB 0.729 63.889 63.200 -0.067 0.000 0.953 257 S HN 0.300 nan 8.310 nan 0.000 0.547 258 L N 1.614 122.749 121.223 -0.147 0.000 2.072 258 L HA 0.144 4.483 4.340 -0.001 0.000 0.205 258 L C 2.073 178.867 176.870 -0.127 0.000 1.079 258 L CA 1.454 56.208 54.840 -0.143 0.000 0.752 258 L CB -0.876 41.099 42.059 -0.140 0.000 0.906 258 L HN 0.778 nan 8.230 nan 0.000 0.436 259 L N 0.237 121.390 121.223 -0.116 0.000 2.083 259 L HA 0.049 4.388 4.340 -0.001 0.000 0.209 259 L C 2.286 178.997 176.870 -0.266 0.000 1.083 259 L CA 1.966 56.729 54.840 -0.128 0.000 0.752 259 L CB -1.444 40.566 42.059 -0.083 0.000 0.899 259 L HN 0.312 nan 8.230 nan 0.000 0.433 260 G N -0.723 107.916 108.800 -0.268 0.000 2.514 260 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.217 260 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.217 260 G C 1.631 176.051 174.900 -0.800 0.000 1.198 260 G CA 1.156 45.926 45.100 -0.550 0.000 0.780 260 G HN 0.649 nan 8.290 nan 0.000 0.565 261 A N -0.036 122.558 122.820 -0.378 0.000 1.892 261 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 261 A C 2.640 180.051 177.584 -0.289 0.000 1.188 261 A CA 2.064 53.938 52.037 -0.271 0.000 0.631 261 A CB -1.164 17.741 19.000 -0.158 0.000 0.822 261 A HN 0.465 nan 8.150 nan 0.000 0.447 262 C N -0.729 118.434 119.300 -0.228 0.000 2.413 262 C HA -0.079 4.380 4.460 -0.001 0.000 0.276 262 C C 3.258 178.098 174.990 -0.251 0.000 1.236 262 C CA 1.386 60.319 59.018 -0.143 0.000 1.735 262 C CB -1.348 26.405 27.740 0.023 0.000 2.031 262 C HN 0.632 nan 8.230 nan 0.000 0.474 263 S N 0.604 116.024 115.700 -0.466 0.000 2.399 263 S HA -0.048 4.421 4.470 -0.001 0.000 0.231 263 S C 2.022 176.199 174.600 -0.705 0.000 1.022 263 S CA 1.346 59.155 58.200 -0.652 0.000 0.983 263 S CB -0.572 61.950 63.200 -1.129 0.000 0.803 263 S HN 0.782 nan 8.310 nan 0.000 0.480 264 G N 1.469 109.832 108.800 -0.728 0.000 2.402 264 G HA2 0.003 3.962 3.960 -0.001 0.000 0.216 264 G HA3 0.003 3.962 3.960 -0.001 0.000 0.216 264 G C 1.560 176.382 174.900 -0.130 0.000 1.162 264 G CA 0.783 45.792 45.100 -0.152 0.000 0.777 264 G HN 0.559 nan 8.290 nan 0.000 0.539 265 A N 1.426 124.110 122.820 -0.226 0.000 1.851 265 A HA -0.054 4.266 4.320 -0.001 0.000 0.216 265 A C 2.355 179.750 177.584 -0.316 0.000 1.195 265 A CA 1.706 53.591 52.037 -0.253 0.000 0.622 265 A CB -0.408 18.421 19.000 -0.286 0.000 0.831 265 A HN 0.264 nan 8.150 nan 0.000 0.444 266 I N 0.148 120.517 120.570 -0.335 0.000 2.127 266 I HA -0.298 3.871 4.170 -0.001 0.000 0.241 266 I C 2.997 178.877 176.117 -0.394 0.000 1.075 266 I CA 1.631 62.684 61.300 -0.411 0.000 1.334 266 I CB -1.933 35.851 38.000 -0.361 0.000 1.040 266 I HN 0.375 nan 8.210 nan 0.000 0.405 267 A N 1.319 124.010 122.820 -0.214 0.000 1.903 267 A HA -0.210 4.109 4.320 -0.001 0.000 0.219 267 A C 2.538 180.022 177.584 -0.166 0.000 1.191 267 A CA 2.511 54.484 52.037 -0.105 0.000 0.638 267 A CB -1.511 17.579 19.000 0.150 0.000 0.823 267 A HN 0.480 nan 8.150 nan 0.000 0.451 268 G N -0.752 107.942 108.800 -0.176 0.000 2.408 268 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.217 268 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.217 268 G C 1.571 176.270 174.900 -0.335 0.000 1.150 268 G CA 0.943 45.928 45.100 -0.192 0.000 0.776 268 G HN 0.439 nan 8.290 nan 0.000 0.542 269 L N 0.174 121.056 121.223 -0.568 0.000 2.017 269 L HA -0.081 4.258 4.340 -0.001 0.000 0.208 269 L C 3.005 179.377 176.870 -0.830 0.000 1.073 269 L CA 0.546 54.765 54.840 -1.036 0.000 0.745 269 L CB -0.470 40.468 42.059 -1.868 0.000 0.894 269 L HN 0.088 nan 8.230 nan 0.000 0.432 270 V N 0.065 119.603 119.914 -0.626 0.000 2.295 270 V HA -0.205 3.915 4.120 -0.001 0.000 0.246 270 V C 2.615 178.586 176.094 -0.206 0.000 1.049 270 V CA 2.019 64.040 62.300 -0.464 0.000 1.024 270 V CB -1.307 30.188 31.823 -0.548 0.000 0.648 270 V HN 0.574 nan 8.190 nan 0.000 0.447 271 G N -0.971 107.728 108.800 -0.168 0.000 2.450 271 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.220 271 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.220 271 G C 1.657 176.557 174.900 0.000 0.000 1.130 271 G CA 1.189 46.256 45.100 -0.054 0.000 0.760 271 G HN 0.397 nan 8.290 nan 0.000 0.557 272 V N 0.405 120.293 119.914 -0.044 0.000 3.235 272 V HA -0.009 4.110 4.120 -0.001 0.000 0.259 272 V C 2.860 179.046 176.094 0.153 0.000 1.133 272 V CA 1.892 64.202 62.300 0.017 0.000 1.128 272 V CB -0.369 31.415 31.823 -0.064 0.000 0.757 272 V HN 0.374 nan 8.190 nan 0.000 0.469 273 T N 2.045 116.738 114.554 0.232 0.000 2.624 273 T HA -0.132 4.217 4.350 -0.001 0.000 0.268 273 T C -0.268 174.765 174.700 0.554 0.000 1.041 273 T CA 2.370 64.781 62.100 0.519 0.000 1.159 273 T CB -1.153 68.168 68.868 0.755 0.000 0.863 273 T HN 0.550 nan 8.240 nan 0.000 0.434 274 P HA 0.246 nan 4.420 nan 0.000 0.231 274 P C 0.954 178.565 177.300 0.519 0.000 1.168 274 P CA 0.804 64.214 63.100 0.516 0.000 0.779 274 P CB -0.009 31.936 31.700 0.408 0.000 0.844 275 A N 0.125 123.166 122.820 0.369 0.000 2.044 275 A HA -0.030 4.289 4.320 -0.001 0.000 0.213 275 A C 2.399 180.079 177.584 0.160 0.000 1.169 275 A CA 0.904 53.125 52.037 0.308 0.000 0.724 275 A CB -1.747 17.377 19.000 0.206 0.000 0.840 275 A HN 0.376 nan 8.150 nan 0.000 0.463 276 C N -0.938 118.420 119.300 0.097 0.000 2.382 276 C HA -0.142 4.318 4.460 -0.001 0.000 0.274 276 C C 2.520 177.299 174.990 -0.352 0.000 1.180 276 C CA 1.004 59.991 59.018 -0.051 0.000 1.799 276 C CB -1.758 26.020 27.740 0.064 0.000 2.094 276 C HN 0.532 nan 8.230 nan 0.000 0.468 277 G N -2.249 105.967 108.800 -0.974 0.000 2.880 277 G HA2 0.226 4.185 3.960 -0.001 0.000 0.209 277 G HA3 0.226 4.185 3.960 -0.001 0.000 0.209 277 G C 1.004 175.412 174.900 -0.819 0.000 1.157 277 G CA 0.554 44.712 45.100 -1.571 0.000 0.779 277 G HN 0.681 nan 8.290 nan 0.000 0.539 278 Y N 0.172 120.322 120.300 -0.249 0.000 2.462 278 Y HA 0.376 4.925 4.550 -0.001 0.000 0.253 278 Y C 1.306 177.183 175.900 -0.039 0.000 1.095 278 Y CA -1.243 56.817 58.100 -0.066 0.000 1.283 278 Y CB 0.294 38.782 38.460 0.047 0.000 1.138 278 Y HN 0.196 nan 8.280 nan 0.000 0.522 279 I N -1.787 118.851 120.570 0.113 0.000 2.822 279 I HA 0.838 5.007 4.170 -0.001 0.000 0.312 279 I C 0.664 176.811 176.117 0.050 0.000 1.011 279 I CA -1.169 60.192 61.300 0.102 0.000 1.105 279 I CB 1.309 39.387 38.000 0.130 0.000 1.291 279 I HN -0.003 nan 8.210 nan 0.000 0.474 280 G N 1.498 110.338 108.800 0.068 0.000 2.562 280 G HA2 0.330 4.289 3.960 -0.001 0.000 0.275 280 G HA3 0.330 4.289 3.960 -0.001 0.000 0.275 280 G C 0.564 175.481 174.900 0.028 0.000 1.196 280 G CA -0.576 44.552 45.100 0.046 0.000 0.908 280 G HN 0.647 nan 8.290 nan 0.000 0.524 281 V N 1.514 121.443 119.914 0.025 0.000 2.453 281 V HA -0.131 3.988 4.120 -0.001 0.000 0.252 281 V C 2.700 178.795 176.094 0.001 0.000 1.068 281 V CA 2.975 65.286 62.300 0.018 0.000 1.070 281 V CB -0.673 31.168 31.823 0.030 0.000 0.664 281 V HN 0.855 nan 8.190 nan 0.000 0.461 282 G N -0.931 107.877 108.800 0.013 0.000 2.402 282 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.216 282 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.216 282 G C 1.580 176.435 174.900 -0.075 0.000 1.162 282 G CA 0.737 45.840 45.100 0.004 0.000 0.777 282 G HN 0.615 nan 8.290 nan 0.000 0.539 283 G N 1.198 109.948 108.800 -0.083 0.000 2.418 283 G HA2 0.027 3.986 3.960 -0.001 0.000 0.217 283 G HA3 0.027 3.986 3.960 -0.001 0.000 0.217 283 G C 2.047 176.705 174.900 -0.403 0.000 1.158 283 G CA 1.509 46.370 45.100 -0.398 0.000 0.771 283 G HN 0.624 nan 8.290 nan 0.000 0.545 284 A N 0.261 122.976 122.820 -0.174 0.000 1.972 284 A HA 0.077 4.397 4.320 -0.001 0.000 0.219 284 A C 2.361 179.870 177.584 -0.126 0.000 1.169 284 A CA 1.503 53.467 52.037 -0.123 0.000 0.635 284 A CB -0.342 18.628 19.000 -0.049 0.000 0.810 284 A HN 0.420 nan 8.150 nan 0.000 0.446 285 L N -0.564 120.588 121.223 -0.117 0.000 2.005 285 L HA -0.101 4.239 4.340 -0.001 0.000 0.207 285 L C 2.362 179.161 176.870 -0.118 0.000 1.072 285 L CA 1.572 56.363 54.840 -0.083 0.000 0.744 285 L CB -0.237 41.793 42.059 -0.047 0.000 0.895 285 L HN 0.412 nan 8.230 nan 0.000 0.433 286 I N -0.255 120.191 120.570 -0.206 0.000 2.226 286 I HA -0.346 3.823 4.170 -0.001 0.000 0.245 286 I C 2.365 178.354 176.117 -0.213 0.000 1.100 286 I CA 1.485 62.652 61.300 -0.221 0.000 1.374 286 I CB -0.298 37.501 38.000 -0.336 0.000 1.057 286 I HN 0.249 nan 8.210 nan 0.000 0.413 287 I N 0.595 120.987 120.570 -0.297 0.000 2.127 287 I HA -0.249 3.920 4.170 -0.001 0.000 0.241 287 I C 2.752 178.813 176.117 -0.093 0.000 1.075 287 I CA 1.797 62.990 61.300 -0.178 0.000 1.334 287 I CB -1.254 36.646 38.000 -0.167 0.000 1.040 287 I HN 0.308 nan 8.210 nan 0.000 0.405 288 G N 0.900 109.646 108.800 -0.090 0.000 2.491 288 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.218 288 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.218 288 G C 1.708 176.598 174.900 -0.016 0.000 1.180 288 G CA 1.263 46.331 45.100 -0.054 0.000 0.774 288 G HN 0.242 nan 8.290 nan 0.000 0.562 289 V N 0.440 120.346 119.914 -0.014 0.000 2.220 289 V HA -0.218 3.901 4.120 -0.001 0.000 0.246 289 V C 3.042 179.146 176.094 0.017 0.000 1.049 289 V CA 1.771 64.081 62.300 0.016 0.000 1.003 289 V CB -0.855 30.972 31.823 0.006 0.000 0.634 289 V HN 0.251 nan 8.190 nan 0.000 0.444 290 V N 0.327 120.239 119.914 -0.003 0.000 2.250 290 V HA -0.355 3.764 4.120 -0.001 0.000 0.250 290 V C 2.737 178.840 176.094 0.015 0.000 1.060 290 V CA 2.412 64.713 62.300 0.003 0.000 1.030 290 V CB -1.321 30.504 31.823 0.004 0.000 0.643 290 V HN 0.599 nan 8.190 nan 0.000 0.445 291 A N 0.251 123.079 122.820 0.013 0.000 1.908 291 A HA -0.145 4.174 4.320 -0.001 0.000 0.218 291 A C 2.425 180.046 177.584 0.062 0.000 1.181 291 A CA 2.189 54.240 52.037 0.024 0.000 0.627 291 A CB -1.315 17.678 19.000 -0.011 0.000 0.818 291 A HN 0.567 nan 8.150 nan 0.000 0.445 292 G N -0.206 108.645 108.800 0.085 0.000 2.433 292 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.216 292 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.216 292 G C 1.563 176.500 174.900 0.063 0.000 1.186 292 G CA 1.067 46.279 45.100 0.188 0.000 0.779 292 G HN 0.439 nan 8.290 nan 0.000 0.543 293 L N 0.711 121.938 121.223 0.007 0.000 2.083 293 L HA -0.058 4.281 4.340 -0.001 0.000 0.209 293 L C 3.425 180.258 176.870 -0.061 0.000 1.083 293 L CA 0.960 55.759 54.840 -0.067 0.000 0.752 293 L CB -0.435 41.608 42.059 -0.026 0.000 0.899 293 L HN 0.316 nan 8.230 nan 0.000 0.433 294 A N 0.469 123.300 122.820 0.018 0.000 1.877 294 A HA -0.141 4.178 4.320 -0.001 0.000 0.216 294 A C 2.430 180.101 177.584 0.145 0.000 1.186 294 A CA 1.784 53.904 52.037 0.138 0.000 0.620 294 A CB -1.336 17.744 19.000 0.133 0.000 0.822 294 A HN 0.433 nan 8.150 nan 0.000 0.443 295 G N -0.234 108.577 108.800 0.019 0.000 2.442 295 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.219 295 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.219 295 G C 1.470 176.110 174.900 -0.432 0.000 1.141 295 G CA 1.266 46.357 45.100 -0.015 0.000 0.763 295 G HN 0.492 nan 8.290 nan 0.000 0.554 296 L N -0.372 120.304 121.223 -0.913 0.000 2.079 296 L HA 0.012 4.352 4.340 -0.001 0.000 0.210 296 L C 2.390 179.067 176.870 -0.321 0.000 1.081 296 L CA 1.781 55.984 54.840 -1.061 0.000 0.752 296 L CB -0.712 40.748 42.059 -0.998 0.000 0.896 296 L HN 0.488 nan 8.230 nan 0.000 0.433 297 W N 0.323 121.452 121.300 -0.285 0.000 2.379 297 W HA 0.024 4.683 4.660 -0.001 0.000 0.307 297 W C 2.253 178.740 176.519 -0.053 0.000 1.200 297 W CA 1.950 59.220 57.345 -0.126 0.000 1.297 297 W CB -0.960 28.451 29.460 -0.083 0.000 1.140 297 W HN 0.182 nan 8.180 nan 0.000 0.507 298 G N 0.912 109.544 108.800 -0.281 0.000 2.476 298 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.218 298 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.218 298 G C 1.416 176.178 174.900 -0.229 0.000 1.164 298 G CA 2.590 47.444 45.100 -0.411 0.000 0.768 298 G HN 0.613 nan 8.290 nan 0.000 0.560 299 V N -2.040 117.826 119.914 -0.080 0.000 3.306 299 V HA 0.148 4.267 4.120 -0.001 0.000 0.264 299 V C 2.049 178.142 176.094 -0.001 0.000 1.149 299 V CA 1.947 64.265 62.300 0.030 0.000 1.143 299 V CB -0.212 31.732 31.823 0.203 0.000 0.767 299 V HN 0.254 nan 8.190 nan 0.000 0.476 300 T N -0.473 114.042 114.554 -0.066 0.000 3.608 300 T HA 0.237 4.586 4.350 -0.001 0.000 0.213 300 T C 1.790 176.461 174.700 -0.048 0.000 0.897 300 T CA 0.863 62.947 62.100 -0.026 0.000 1.533 300 T CB -0.204 68.664 68.868 -0.001 0.000 1.504 300 T HN 0.134 nan 8.240 nan 0.000 0.446 301 M N 1.220 120.795 119.600 -0.042 0.000 2.059 301 M HA -0.001 4.479 4.480 -0.001 0.000 0.259 301 M C 2.425 178.651 176.300 -0.124 0.000 1.072 301 M CA 1.364 56.666 55.300 0.003 0.000 1.117 301 M CB -1.103 31.636 32.600 0.232 0.000 1.320 301 M HN 0.200 nan 8.290 nan 0.000 0.408 302 L N 0.275 121.208 121.223 -0.483 0.000 1.978 302 L HA -0.331 4.009 4.340 -0.001 0.000 0.218 302 L C 2.516 179.266 176.870 -0.201 0.000 1.075 302 L CA 2.035 56.573 54.840 -0.503 0.000 0.767 302 L CB -0.786 40.630 42.059 -1.072 0.000 0.890 302 L HN 0.390 nan 8.230 nan 0.000 0.434 303 K N -0.319 119.985 120.400 -0.160 0.000 2.074 303 K HA -0.276 4.043 4.320 -0.001 0.000 0.209 303 K C 2.240 178.830 176.600 -0.017 0.000 1.048 303 K CA 1.822 58.075 56.287 -0.056 0.000 0.926 303 K CB -0.182 32.312 32.500 -0.011 0.000 0.713 303 K HN 0.237 nan 8.250 nan 0.000 0.444 304 R N 0.066 120.566 120.500 -0.001 0.000 2.115 304 R HA -0.098 4.241 4.340 -0.001 0.000 0.230 304 R C 2.087 178.408 176.300 0.035 0.000 1.111 304 R CA 0.823 56.945 56.100 0.037 0.000 0.976 304 R CB 0.020 30.343 30.300 0.038 0.000 0.870 304 R HN 0.132 nan 8.270 nan 0.000 0.445 305 L N 0.348 121.585 121.223 0.023 0.000 2.162 305 L HA -0.003 4.336 4.340 -0.001 0.000 0.205 305 L C 2.020 178.915 176.870 0.042 0.000 1.086 305 L CA 1.259 56.126 54.840 0.044 0.000 0.778 305 L CB -0.472 41.628 42.059 0.068 0.000 0.928 305 L HN 0.184 nan 8.230 nan 0.000 0.446 306 L N -0.869 120.365 121.223 0.018 0.000 2.275 306 L HA -0.109 4.230 4.340 -0.001 0.000 0.215 306 L C 0.627 177.511 176.870 0.024 0.000 1.119 306 L CA 0.311 55.171 54.840 0.035 0.000 0.790 306 L CB -0.178 41.865 42.059 -0.026 0.000 0.919 306 L HN 0.313 nan 8.230 nan 0.000 0.443 307 R N -0.183 120.309 120.500 -0.014 0.000 3.336 307 R HA -0.132 4.207 4.340 -0.001 0.000 0.260 307 R C -0.791 175.400 176.300 -0.183 0.000 1.032 307 R CA 0.480 56.561 56.100 -0.031 0.000 0.693 307 R CB -2.118 28.198 30.300 0.028 0.000 1.134 307 R HN 0.304 nan 8.270 nan 0.000 0.433 308 V N -2.899 116.838 119.914 -0.295 0.000 2.960 308 V HA 0.588 4.707 4.120 -0.001 0.000 0.315 308 V C -0.024 175.816 176.094 -0.423 0.000 1.087 308 V CA -1.004 60.995 62.300 -0.502 0.000 0.982 308 V CB 2.548 33.954 31.823 -0.694 0.000 1.039 308 V HN 0.053 nan 8.190 nan 0.000 0.437 309 D N 1.946 122.038 120.400 -0.514 0.000 2.485 309 D HA 0.322 4.962 4.640 -0.001 0.000 0.229 309 D C -1.035 175.101 176.300 -0.273 0.000 1.101 309 D CA 0.093 53.810 54.000 -0.471 0.000 0.906 309 D CB 0.886 41.271 40.800 -0.691 0.000 1.019 309 D HN 0.758 nan 8.370 nan 0.000 0.516 310 D N 4.359 124.664 120.400 -0.158 0.000 2.460 310 D HA 0.275 4.915 4.640 -0.001 0.000 0.268 310 D C -1.896 174.371 176.300 -0.054 0.000 1.153 310 D CA -2.321 51.607 54.000 -0.119 0.000 0.929 310 D CB 1.645 42.398 40.800 -0.079 0.000 1.015 310 D HN 0.118 nan 8.370 nan 0.000 0.502 311 P HA -0.074 nan 4.420 nan 0.000 0.216 311 P C 0.729 178.002 177.300 -0.045 0.000 1.150 311 P CA 0.882 63.953 63.100 -0.048 0.000 0.837 311 P CB 0.275 31.905 31.700 -0.116 0.000 0.786 312 C N -1.118 118.119 119.300 -0.105 0.000 2.688 312 C HA 0.207 4.667 4.460 -0.001 0.000 0.297 312 C C 0.161 175.207 174.990 0.094 0.000 1.308 312 C CA -0.741 58.238 59.018 -0.064 0.000 1.726 312 C CB -1.906 25.636 27.740 -0.330 0.000 1.982 312 C HN 0.324 nan 8.230 nan 0.000 0.604 313 D N 0.892 121.345 120.400 0.089 0.000 2.704 313 D HA -0.136 4.503 4.640 -0.001 0.000 0.232 313 D C 1.182 177.627 176.300 0.242 0.000 1.183 313 D CA 0.484 54.578 54.000 0.157 0.000 0.647 313 D CB -0.771 40.136 40.800 0.178 0.000 1.013 313 D HN 0.327 nan 8.370 nan 0.000 0.415 314 V N -0.619 119.432 119.914 0.228 0.000 2.343 314 V HA -0.263 3.856 4.120 -0.001 0.000 0.247 314 V C 2.031 178.341 176.094 0.360 0.000 1.051 314 V CA 2.029 64.532 62.300 0.339 0.000 1.036 314 V CB -0.426 31.509 31.823 0.187 0.000 0.654 314 V HN 0.405 nan 8.190 nan 0.000 0.451 315 F N 1.665 121.706 119.950 0.152 0.000 2.163 315 F HA 0.090 4.616 4.527 -0.001 0.000 0.297 315 F C 2.237 178.104 175.800 0.113 0.000 1.094 315 F CA 1.408 59.490 58.000 0.137 0.000 1.290 315 F CB -0.760 38.286 39.000 0.077 0.000 1.017 315 F HN 0.146 nan 8.300 nan 0.000 0.483 316 G N -0.297 108.585 108.800 0.138 0.000 2.462 316 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.220 316 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.220 316 G C 1.466 176.359 174.900 -0.012 0.000 1.121 316 G CA 1.470 46.579 45.100 0.014 0.000 0.758 316 G HN 0.366 nan 8.290 nan 0.000 0.559 317 V N -0.768 119.176 119.914 0.050 0.000 2.599 317 V HA 0.068 4.187 4.120 -0.001 0.000 0.237 317 V C 2.230 178.245 176.094 -0.130 0.000 1.081 317 V CA 0.839 63.136 62.300 -0.004 0.000 1.107 317 V CB -0.495 31.341 31.823 0.021 0.000 0.808 317 V HN 0.370 nan 8.190 nan 0.000 0.486 318 H N 0.273 119.374 119.070 0.052 0.000 2.470 318 H HA 0.058 4.614 4.556 -0.001 0.000 0.289 318 H C 2.226 177.557 175.328 0.006 0.000 1.033 318 H CA 1.381 57.480 56.048 0.084 0.000 1.331 318 H CB 0.093 30.010 29.762 0.259 0.000 1.414 318 H HN 0.489 nan 8.280 nan 0.000 0.545 319 G N 0.548 109.269 108.800 -0.130 0.000 2.439 319 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.212 319 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.212 319 G C 1.856 176.505 174.900 -0.420 0.000 1.199 319 G CA 0.589 45.423 45.100 -0.444 0.000 0.807 319 G HN 0.178 nan 8.290 nan 0.000 0.537 320 V N 0.922 120.515 119.914 -0.536 0.000 2.287 320 V HA -0.224 3.895 4.120 -0.001 0.000 0.248 320 V C 2.966 179.050 176.094 -0.016 0.000 1.053 320 V CA 1.897 64.093 62.300 -0.173 0.000 1.027 320 V CB -0.697 31.075 31.823 -0.085 0.000 0.646 320 V HN 0.499 nan 8.190 nan 0.000 0.447 321 C N 0.596 119.871 119.300 -0.041 0.000 2.468 321 C HA 0.143 4.602 4.460 -0.001 0.000 0.277 321 C C 2.777 177.770 174.990 0.005 0.000 1.400 321 C CA 0.178 59.187 59.018 -0.015 0.000 1.770 321 C CB -1.585 26.118 27.740 -0.061 0.000 1.905 321 C HN 0.674 nan 8.230 nan 0.000 0.519 322 G N 1.117 109.933 108.800 0.027 0.000 2.404 322 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.214 322 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.214 322 G C 1.450 176.427 174.900 0.128 0.000 1.189 322 G CA 0.599 45.769 45.100 0.117 0.000 0.789 322 G HN 0.489 nan 8.290 nan 0.000 0.533 323 I N 0.335 120.968 120.570 0.105 0.000 2.142 323 I HA -0.170 3.999 4.170 -0.001 0.000 0.240 323 I C 2.805 178.989 176.117 0.113 0.000 1.078 323 I CA 0.550 61.921 61.300 0.119 0.000 1.343 323 I CB -0.435 37.641 38.000 0.126 0.000 1.046 323 I HN 0.010 nan 8.210 nan 0.000 0.405 324 V N 1.216 121.189 119.914 0.098 0.000 2.282 324 V HA -0.291 3.828 4.120 -0.001 0.000 0.249 324 V C 2.578 178.733 176.094 0.101 0.000 1.057 324 V CA 2.417 64.772 62.300 0.093 0.000 1.032 324 V CB -1.398 30.471 31.823 0.077 0.000 0.645 324 V HN 0.617 nan 8.190 nan 0.000 0.447 325 G N -1.387 107.472 108.800 0.099 0.000 2.418 325 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.217 325 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.217 325 G C 1.731 176.728 174.900 0.161 0.000 1.158 325 G CA 1.331 46.503 45.100 0.120 0.000 0.771 325 G HN 0.562 nan 8.290 nan 0.000 0.545 326 C N 0.358 119.757 119.300 0.165 0.000 2.425 326 C HA 0.076 4.535 4.460 -0.001 0.000 0.277 326 C C 2.817 177.897 174.990 0.151 0.000 1.280 326 C CA 0.326 59.446 59.018 0.170 0.000 1.744 326 C CB -0.992 26.841 27.740 0.156 0.000 1.989 326 C HN 0.458 nan 8.230 nan 0.000 0.491 327 I N 0.662 121.313 120.570 0.135 0.000 2.202 327 I HA -0.225 3.944 4.170 -0.001 0.000 0.242 327 I C 2.508 178.720 176.117 0.158 0.000 1.091 327 I CA 1.619 62.993 61.300 0.124 0.000 1.368 327 I CB -0.438 37.626 38.000 0.106 0.000 1.058 327 I HN 0.310 nan 8.210 nan 0.000 0.410 328 M N -0.127 119.584 119.600 0.185 0.000 2.446 328 M HA -0.135 4.344 4.480 -0.001 0.000 0.263 328 M C 2.034 178.524 176.300 0.317 0.000 1.066 328 M CA 1.359 56.824 55.300 0.274 0.000 1.087 328 M CB -0.773 31.968 32.600 0.235 0.000 1.406 328 M HN 0.274 nan 8.290 nan 0.000 0.459 329 T N 0.231 114.931 114.554 0.243 0.000 2.851 329 T HA -0.019 4.330 4.350 -0.001 0.000 0.262 329 T C 1.838 176.673 174.700 0.226 0.000 1.043 329 T CA 1.442 63.687 62.100 0.242 0.000 1.140 329 T CB -0.465 68.544 68.868 0.234 0.000 0.872 329 T HN 0.613 nan 8.240 nan 0.000 0.446 330 G N 0.296 109.218 108.800 0.203 0.000 2.708 330 G HA2 0.042 4.001 3.960 -0.001 0.000 0.210 330 G HA3 0.042 4.001 3.960 -0.001 0.000 0.210 330 G C 1.199 176.276 174.900 0.294 0.000 1.141 330 G CA 0.335 45.569 45.100 0.223 0.000 0.788 330 G HN 0.467 nan 8.290 nan 0.000 0.531 331 I N -1.694 119.020 120.570 0.240 0.000 3.393 331 I HA 0.240 4.409 4.170 -0.001 0.000 0.250 331 I C 1.578 177.698 176.117 0.004 0.000 1.122 331 I CA -0.087 61.284 61.300 0.119 0.000 1.484 331 I CB 0.050 38.038 38.000 -0.020 0.000 1.468 331 I HN -0.013 nan 8.210 nan 0.000 0.461 332 F N 1.495 121.501 119.950 0.094 0.000 2.722 332 F HA 0.002 4.529 4.527 -0.001 0.000 0.298 332 F C 2.311 178.093 175.800 -0.031 0.000 1.175 332 F CA 0.767 58.789 58.000 0.037 0.000 1.462 332 F CB -0.445 38.583 39.000 0.047 0.000 1.111 332 F HN 0.031 nan 8.300 nan 0.000 0.592 333 A N 0.313 123.145 122.820 0.019 0.000 2.016 333 A HA 0.307 4.626 4.320 -0.001 0.000 0.217 333 A C 1.655 178.900 177.584 -0.565 0.000 1.162 333 A CA 0.513 52.436 52.037 -0.190 0.000 0.662 333 A CB -0.890 17.974 19.000 -0.227 0.000 0.812 333 A HN 0.152 nan 8.150 nan 0.000 0.450 334 A N 0.091 122.478 122.820 -0.721 0.000 2.584 334 A HA 0.294 4.614 4.320 -0.001 0.000 0.239 334 A C 1.477 178.898 177.584 -0.272 0.000 1.043 334 A CA 0.576 52.235 52.037 -0.629 0.000 0.756 334 A CB -0.025 18.902 19.000 -0.121 0.000 0.963 334 A HN 0.390 nan 8.150 nan 0.000 0.511 335 S N 1.516 117.093 115.700 -0.205 0.000 2.365 335 S HA -0.197 4.272 4.470 -0.001 0.000 0.225 335 S C 2.317 176.892 174.600 -0.041 0.000 1.039 335 S CA 1.951 60.098 58.200 -0.088 0.000 1.033 335 S CB -0.404 62.768 63.200 -0.046 0.000 0.887 335 S HN 1.258 nan 8.310 nan 0.000 0.447 336 S N 0.761 116.444 115.700 -0.028 0.000 2.537 336 S HA 0.076 4.545 4.470 -0.001 0.000 0.240 336 S C 1.153 175.747 174.600 -0.011 0.000 0.981 336 S CA 0.622 58.816 58.200 -0.010 0.000 0.948 336 S CB -0.362 62.837 63.200 -0.000 0.000 0.759 336 S HN 0.437 nan 8.310 nan 0.000 0.531 337 L N 0.698 121.907 121.223 -0.023 0.000 2.818 337 L HA 0.429 4.768 4.340 -0.001 0.000 0.243 337 L C 1.543 178.463 176.870 0.084 0.000 1.185 337 L CA 0.214 55.062 54.840 0.013 0.000 0.988 337 L CB 0.129 42.133 42.059 -0.092 0.000 1.292 337 L HN 0.505 nan 8.230 nan 0.000 0.519 338 G N -0.253 108.572 108.800 0.042 0.000 2.159 338 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.256 338 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.256 338 G C 0.578 175.503 174.900 0.041 0.000 0.977 338 G CA -0.025 45.103 45.100 0.048 0.000 0.652 338 G HN 0.514 nan 8.290 nan 0.000 0.531 339 G N -1.465 107.346 108.800 0.017 0.000 2.588 339 G HA2 0.522 4.481 3.960 -0.001 0.000 0.281 339 G HA3 0.522 4.481 3.960 -0.001 0.000 0.281 339 G C 1.140 176.024 174.900 -0.027 0.000 1.236 339 G CA 0.384 45.484 45.100 0.000 0.000 0.969 339 G HN 0.807 nan 8.290 nan 0.000 0.504 340 V N 0.028 119.940 119.914 -0.002 0.000 2.970 340 V HA 0.334 4.454 4.120 -0.001 0.000 0.260 340 V C 1.413 177.492 176.094 -0.024 0.000 1.100 340 V CA 2.073 64.385 62.300 0.019 0.000 1.122 340 V CB -1.062 30.820 31.823 0.097 0.000 0.721 340 V HN 1.846 nan 8.190 nan 0.000 0.483 341 G N -0.988 107.722 108.800 -0.150 0.000 2.712 341 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.686 341 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.686 341 G C -0.632 174.142 174.900 -0.211 0.000 1.181 341 G CA -0.473 44.492 45.100 -0.225 0.000 0.762 341 G HN 0.175 nan 8.290 nan 0.000 0.641 342 F N 1.214 121.188 119.950 0.040 0.000 2.403 342 F HA 0.648 5.175 4.527 -0.001 0.000 0.320 342 F C 1.431 177.253 175.800 0.037 0.000 1.176 342 F CA 0.364 58.379 58.000 0.025 0.000 1.206 342 F CB 0.474 39.482 39.000 0.013 0.000 1.235 342 F HN 0.949 nan 8.300 nan 0.000 0.565 343 A N 0.463 123.434 122.820 0.252 0.000 2.448 343 A HA 0.053 4.372 4.320 -0.001 0.000 0.239 343 A C 0.399 178.053 177.584 0.116 0.000 1.080 343 A CA -0.484 51.644 52.037 0.152 0.000 0.779 343 A CB -0.229 18.845 19.000 0.122 0.000 1.026 343 A HN 0.780 nan 8.150 nan 0.000 0.499 344 E N 0.232 120.478 120.200 0.076 0.000 2.694 344 E HA 0.165 4.514 4.350 -0.001 0.000 0.250 344 E C 1.167 177.779 176.600 0.020 0.000 0.963 344 E CA 1.181 57.609 56.400 0.048 0.000 0.949 344 E CB -0.212 29.508 29.700 0.034 0.000 0.911 344 E HN 1.557 nan 8.360 nan 0.000 0.500 345 G N 2.910 111.718 108.800 0.014 0.000 2.176 345 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.252 345 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.252 345 G C -0.151 174.705 174.900 -0.073 0.000 1.024 345 G CA 0.202 45.286 45.100 -0.027 0.000 0.755 345 G HN 0.459 nan 8.290 nan 0.000 0.507 346 V N 1.019 120.912 119.914 -0.036 0.000 2.495 346 V HA 0.811 4.931 4.120 -0.001 0.000 0.298 346 V C 0.689 176.709 176.094 -0.122 0.000 1.031 346 V CA 0.047 62.282 62.300 -0.108 0.000 0.871 346 V CB 1.899 33.684 31.823 -0.064 0.000 0.988 346 V HN 0.735 nan 8.190 nan 0.000 0.432 347 T N 1.338 115.775 114.554 -0.195 0.000 2.949 347 T HA 0.439 4.788 4.350 -0.001 0.000 0.287 347 T C 1.092 175.525 174.700 -0.445 0.000 1.034 347 T CA -0.607 61.371 62.100 -0.205 0.000 1.018 347 T CB 1.502 70.321 68.868 -0.082 0.000 1.135 347 T HN 0.523 nan 8.240 nan 0.000 0.532 348 M N 0.945 120.328 119.600 -0.362 0.000 2.144 348 M HA -0.035 4.444 4.480 -0.001 0.000 0.260 348 M C 2.093 178.258 176.300 -0.225 0.000 1.067 348 M CA 2.418 57.508 55.300 -0.351 0.000 1.095 348 M CB -0.976 31.593 32.600 -0.052 0.000 1.365 348 M HN 0.943 nan 8.290 nan 0.000 0.406 349 G N -0.946 107.775 108.800 -0.131 0.000 2.453 349 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.215 349 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.215 349 G C 1.414 176.270 174.900 -0.073 0.000 1.201 349 G CA 1.133 46.188 45.100 -0.074 0.000 0.784 349 G HN 0.615 nan 8.290 nan 0.000 0.545 350 H N 0.305 119.285 119.070 -0.150 0.000 2.353 350 H HA -0.134 4.421 4.556 -0.001 0.000 0.298 350 H C 2.633 177.878 175.328 -0.139 0.000 1.103 350 H CA 2.224 58.196 56.048 -0.127 0.000 1.293 350 H CB -0.008 29.677 29.762 -0.128 0.000 1.372 350 H HN 0.386 nan 8.280 nan 0.000 0.501 351 Q N 0.792 120.500 119.800 -0.153 0.000 2.046 351 Q HA -0.088 4.251 4.340 -0.001 0.000 0.200 351 Q C 2.759 178.686 176.000 -0.122 0.000 0.975 351 Q CA 1.495 57.191 55.803 -0.178 0.000 0.836 351 Q CB -0.571 27.921 28.738 -0.411 0.000 0.896 351 Q HN 0.521 nan 8.270 nan 0.000 0.428 352 L N -0.485 120.668 121.223 -0.116 0.000 2.042 352 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 352 L C 2.043 178.881 176.870 -0.052 0.000 1.076 352 L CA 1.282 56.092 54.840 -0.050 0.000 0.749 352 L CB -0.191 41.844 42.059 -0.041 0.000 0.893 352 L HN 0.323 nan 8.230 nan 0.000 0.432 353 L N -1.764 119.401 121.223 -0.096 0.000 2.141 353 L HA -0.197 4.142 4.340 -0.001 0.000 0.209 353 L C 2.358 179.165 176.870 -0.104 0.000 1.094 353 L CA 0.639 55.420 54.840 -0.098 0.000 0.763 353 L CB -0.447 41.534 42.059 -0.131 0.000 0.908 353 L HN 0.094 nan 8.230 nan 0.000 0.437 354 V N -0.798 119.026 119.914 -0.150 0.000 2.358 354 V HA -0.231 3.888 4.120 -0.001 0.000 0.246 354 V C 2.550 178.628 176.094 -0.026 0.000 1.047 354 V CA 1.347 63.589 62.300 -0.097 0.000 1.035 354 V CB -0.369 31.392 31.823 -0.103 0.000 0.658 354 V HN 0.450 nan 8.190 nan 0.000 0.452 355 Q N -0.243 119.551 119.800 -0.009 0.000 2.061 355 Q HA -0.149 4.190 4.340 -0.001 0.000 0.204 355 Q C 2.266 178.286 176.000 0.035 0.000 0.984 355 Q CA 1.660 57.481 55.803 0.031 0.000 0.846 355 Q CB -0.556 28.216 28.738 0.056 0.000 0.902 355 Q HN 0.542 nan 8.270 nan 0.000 0.421 356 L N 0.583 121.820 121.223 0.022 0.000 2.083 356 L HA -0.191 4.148 4.340 -0.001 0.000 0.209 356 L C 2.544 179.431 176.870 0.028 0.000 1.083 356 L CA 1.362 56.221 54.840 0.032 0.000 0.752 356 L CB -0.463 41.610 42.059 0.023 0.000 0.899 356 L HN 0.321 nan 8.230 nan 0.000 0.433 357 E N 0.090 120.295 120.200 0.008 0.000 2.051 357 E HA -0.209 4.141 4.350 -0.001 0.000 0.192 357 E C 2.212 178.815 176.600 0.005 0.000 0.991 357 E CA 1.613 58.014 56.400 0.003 0.000 0.799 357 E CB 0.095 29.786 29.700 -0.015 0.000 0.748 357 E HN 0.365 nan 8.360 nan 0.000 0.449 358 S N 0.532 116.232 115.700 -0.000 0.000 2.382 358 S HA -0.125 4.344 4.470 -0.001 0.000 0.228 358 S C 1.951 176.565 174.600 0.023 0.000 1.027 358 S CA 1.122 59.317 58.200 -0.008 0.000 0.991 358 S CB -0.214 62.980 63.200 -0.009 0.000 0.823 358 S HN 0.307 nan 8.310 nan 0.000 0.469 359 I N 1.610 122.210 120.570 0.051 0.000 2.202 359 I HA -0.200 3.969 4.170 -0.001 0.000 0.242 359 I C 2.745 178.920 176.117 0.097 0.000 1.091 359 I CA 1.104 62.455 61.300 0.084 0.000 1.368 359 I CB -0.588 37.471 38.000 0.098 0.000 1.058 359 I HN 0.263 nan 8.210 nan 0.000 0.410 360 A N 1.355 124.224 122.820 0.082 0.000 1.865 360 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 360 A C 2.242 179.885 177.584 0.099 0.000 1.191 360 A CA 1.510 53.599 52.037 0.087 0.000 0.623 360 A CB -0.675 18.364 19.000 0.065 0.000 0.826 360 A HN 0.281 nan 8.150 nan 0.000 0.444 361 I N 0.400 121.023 120.570 0.088 0.000 2.127 361 I HA -0.216 3.954 4.170 -0.001 0.000 0.241 361 I C 2.594 178.808 176.117 0.162 0.000 1.075 361 I CA 2.194 63.568 61.300 0.123 0.000 1.334 361 I CB -2.000 36.049 38.000 0.081 0.000 1.040 361 I HN 0.284 nan 8.210 nan 0.000 0.405 362 T N 1.432 116.046 114.554 0.099 0.000 2.684 362 T HA -0.160 4.189 4.350 -0.001 0.000 0.267 362 T C 2.101 176.920 174.700 0.198 0.000 1.036 362 T CA 1.514 63.675 62.100 0.102 0.000 1.148 362 T CB -0.357 68.547 68.868 0.061 0.000 0.863 362 T HN 0.229 nan 8.240 nan 0.000 0.436 363 I N 0.549 121.235 120.570 0.193 0.000 2.179 363 I HA -0.167 4.002 4.170 -0.001 0.000 0.242 363 I C 2.512 178.754 176.117 0.208 0.000 1.088 363 I CA 1.007 62.438 61.300 0.218 0.000 1.357 363 I CB -0.442 37.675 38.000 0.195 0.000 1.051 363 I HN 0.087 nan 8.210 nan 0.000 0.409 364 V N 0.066 120.083 119.914 0.172 0.000 2.295 364 V HA -0.290 3.830 4.120 -0.001 0.000 0.246 364 V C 2.119 178.306 176.094 0.154 0.000 1.049 364 V CA 1.782 64.158 62.300 0.126 0.000 1.024 364 V CB -0.664 31.206 31.823 0.078 0.000 0.648 364 V HN 0.598 nan 8.190 nan 0.000 0.447 365 W N 0.517 121.828 121.300 0.017 0.000 2.333 365 W HA -0.226 4.433 4.660 -0.001 0.000 0.316 365 W C 2.915 179.454 176.519 0.033 0.000 1.215 365 W CA 2.426 59.761 57.345 -0.016 0.000 1.278 365 W CB -0.657 28.764 29.460 -0.065 0.000 1.154 365 W HN 0.355 nan 8.180 nan 0.000 0.486 366 S N -0.034 115.929 115.700 0.439 0.000 2.383 366 S HA -0.068 4.401 4.470 -0.001 0.000 0.227 366 S C 2.039 176.929 174.600 0.483 0.000 1.026 366 S CA 1.841 60.325 58.200 0.474 0.000 0.981 366 S CB -0.824 62.698 63.200 0.537 0.000 0.818 366 S HN 0.271 nan 8.310 nan 0.000 0.472 367 G N 0.745 109.757 108.800 0.353 0.000 2.418 367 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.217 367 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.217 367 G C 1.467 176.531 174.900 0.274 0.000 1.158 367 G CA 1.106 46.386 45.100 0.300 0.000 0.771 367 G HN 0.464 nan 8.290 nan 0.000 0.545 368 V N 0.360 120.377 119.914 0.172 0.000 2.307 368 V HA -0.125 3.995 4.120 -0.001 0.000 0.245 368 V C 2.992 179.209 176.094 0.205 0.000 1.045 368 V CA 1.340 63.709 62.300 0.116 0.000 1.024 368 V CB -0.196 31.596 31.823 -0.052 0.000 0.651 368 V HN 0.234 nan 8.190 nan 0.000 0.449 369 V N 0.226 120.239 119.914 0.165 0.000 2.515 369 V HA -0.166 3.953 4.120 -0.001 0.000 0.250 369 V C 2.588 178.885 176.094 0.338 0.000 1.058 369 V CA 1.734 64.134 62.300 0.167 0.000 1.064 369 V CB -0.817 31.045 31.823 0.065 0.000 0.675 369 V HN 0.545 nan 8.190 nan 0.000 0.461 370 A N -0.498 122.642 122.820 0.534 0.000 1.929 370 A HA -0.156 4.163 4.320 -0.001 0.000 0.216 370 A C 2.059 179.975 177.584 0.553 0.000 1.176 370 A CA 1.486 53.923 52.037 0.667 0.000 0.628 370 A CB -0.597 18.837 19.000 0.724 0.000 0.816 370 A HN 0.536 nan 8.150 nan 0.000 0.444 371 F N 0.765 120.931 119.950 0.359 0.000 2.134 371 F HA -0.134 4.392 4.527 -0.001 0.000 0.299 371 F C 1.822 177.762 175.800 0.234 0.000 1.097 371 F CA 1.698 59.874 58.000 0.293 0.000 1.264 371 F CB -0.180 38.917 39.000 0.162 0.000 1.001 371 F HN 0.175 nan 8.300 nan 0.000 0.479 372 I N 0.239 120.918 120.570 0.182 0.000 2.202 372 I HA -0.175 3.994 4.170 -0.001 0.000 0.242 372 I C 2.817 178.940 176.117 0.011 0.000 1.091 372 I CA 1.311 62.630 61.300 0.032 0.000 1.368 372 I CB -1.354 36.712 38.000 0.110 0.000 1.058 372 I HN 0.294 nan 8.210 nan 0.000 0.410 373 G N 0.340 109.196 108.800 0.093 0.000 2.491 373 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.218 373 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.218 373 G C 1.468 176.452 174.900 0.140 0.000 1.180 373 G CA 0.885 46.041 45.100 0.093 0.000 0.774 373 G HN 0.275 nan 8.290 nan 0.000 0.562 374 Y N 0.646 121.095 120.300 0.247 0.000 2.274 374 Y HA 0.011 4.561 4.550 -0.001 0.000 0.290 374 Y C 2.748 178.597 175.900 -0.085 0.000 1.145 374 Y CA 1.331 59.448 58.100 0.027 0.000 1.203 374 Y CB -0.258 38.151 38.460 -0.086 0.000 0.984 374 Y HN 0.090 nan 8.280 nan 0.000 0.533 375 K N 0.459 120.827 120.400 -0.055 0.000 2.026 375 K HA -0.095 4.224 4.320 -0.001 0.000 0.208 375 K C 1.909 178.475 176.600 -0.057 0.000 1.048 375 K CA 1.174 57.364 56.287 -0.161 0.000 0.929 375 K CB -0.576 31.708 32.500 -0.360 0.000 0.713 375 K HN 0.240 nan 8.250 nan 0.000 0.439 376 L N -0.322 120.887 121.223 -0.024 0.000 2.046 376 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 376 L C 2.417 179.299 176.870 0.019 0.000 1.077 376 L CA 1.347 56.187 54.840 -0.001 0.000 0.747 376 L CB -0.738 41.325 42.059 0.006 0.000 0.896 376 L HN 0.224 nan 8.230 nan 0.000 0.432 377 A N 0.182 123.031 122.820 0.048 0.000 1.883 377 A HA -0.303 4.017 4.320 -0.001 0.000 0.217 377 A C 1.993 179.599 177.584 0.037 0.000 1.186 377 A CA 2.266 54.337 52.037 0.058 0.000 0.624 377 A CB -0.734 18.328 19.000 0.103 0.000 0.822 377 A HN 0.418 nan 8.150 nan 0.000 0.444 378 D N -0.629 119.790 120.400 0.031 0.000 2.263 378 D HA -0.063 4.577 4.640 -0.001 0.000 0.208 378 D C 1.757 178.056 176.300 -0.001 0.000 0.971 378 D CA 0.799 54.803 54.000 0.008 0.000 0.867 378 D CB -0.130 40.665 40.800 -0.008 0.000 0.929 378 D HN 0.454 nan 8.370 nan 0.000 0.492 379 L N -0.299 120.922 121.223 -0.003 0.000 2.095 379 L HA -0.036 4.303 4.340 -0.001 0.000 0.204 379 L C 2.569 179.440 176.870 0.002 0.000 1.080 379 L CA 1.462 56.299 54.840 -0.005 0.000 0.759 379 L CB -0.638 41.415 42.059 -0.010 0.000 0.914 379 L HN 0.208 nan 8.230 nan 0.000 0.439 380 T N -2.547 112.011 114.554 0.007 0.000 2.755 380 T HA -0.085 4.264 4.350 -0.001 0.000 0.251 380 T C 1.478 176.185 174.700 0.012 0.000 1.044 380 T CA 1.299 63.405 62.100 0.010 0.000 1.154 380 T CB -0.574 68.302 68.868 0.013 0.000 0.866 380 T HN 0.183 nan 8.240 nan 0.000 0.416 381 V N -1.984 117.939 119.914 0.015 0.000 3.661 381 V HA 0.647 4.766 4.120 -0.001 0.000 0.271 381 V C 1.077 177.178 176.094 0.012 0.000 1.315 381 V CA -0.007 62.303 62.300 0.016 0.000 1.072 381 V CB -0.873 30.964 31.823 0.024 0.000 0.830 381 V HN 1.105 nan 8.190 nan 0.000 0.443 382 G N 0.583 109.388 108.800 0.009 0.000 3.402 382 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.686 382 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.686 382 G C -0.161 174.741 174.900 0.003 0.000 0.983 382 G CA 0.001 45.102 45.100 0.002 0.000 0.821 382 G HN 0.328 nan 8.290 nan 0.000 0.500 383 L N 0.978 122.200 121.223 -0.003 0.000 2.093 383 L HA 0.098 4.438 4.340 -0.001 0.000 0.208 383 L C 1.990 178.844 176.870 -0.027 0.000 1.085 383 L CA 1.340 56.175 54.840 -0.008 0.000 0.755 383 L CB 0.012 42.057 42.059 -0.023 0.000 0.904 383 L HN 0.611 nan 8.230 nan 0.000 0.435 384 R N -0.120 120.361 120.500 -0.032 0.000 2.387 384 R HA 0.373 4.712 4.340 -0.001 0.000 0.314 384 R C -0.784 175.501 176.300 -0.026 0.000 0.958 384 R CA -0.491 55.587 56.100 -0.038 0.000 0.846 384 R CB 1.663 31.932 30.300 -0.050 0.000 1.147 384 R HN -0.224 nan 8.270 nan 0.000 0.447 385 V N 6.518 126.417 119.914 -0.025 0.000 2.843 385 V HA 0.116 4.235 4.120 -0.001 0.000 0.305 385 V C -1.807 174.275 176.094 -0.021 0.000 1.065 385 V CA -1.221 61.067 62.300 -0.021 0.000 1.116 385 V CB 1.140 32.949 31.823 -0.023 0.000 0.968 385 V HN 0.817 nan 8.190 nan 0.000 0.487 386 P HA 0.039 nan 4.420 nan 0.000 0.269 386 P C 0.806 178.099 177.300 -0.012 0.000 1.217 386 P CA 0.048 63.140 63.100 -0.013 0.000 0.783 386 P CB 0.455 32.148 31.700 -0.011 0.000 0.898 387 E N 1.619 121.815 120.200 -0.007 0.000 2.070 387 E HA -0.290 4.059 4.350 -0.001 0.000 0.197 387 E C 1.364 177.964 176.600 -0.000 0.000 1.004 387 E CA 1.409 57.808 56.400 -0.001 0.000 0.805 387 E CB -0.008 29.696 29.700 0.005 0.000 0.744 387 E HN 0.413 nan 8.360 nan 0.000 0.451 388 E N 0.552 120.751 120.200 -0.002 0.000 2.097 388 E HA -0.262 4.088 4.350 -0.001 0.000 0.196 388 E C 2.114 178.709 176.600 -0.007 0.000 1.000 388 E CA 1.288 57.687 56.400 -0.002 0.000 0.804 388 E CB -0.487 29.211 29.700 -0.004 0.000 0.740 388 E HN 0.515 nan 8.360 nan 0.000 0.454 389 Q N 0.400 120.193 119.800 -0.013 0.000 2.119 389 Q HA -0.133 4.207 4.340 -0.001 0.000 0.201 389 Q C 2.236 178.224 176.000 -0.021 0.000 0.972 389 Q CA 1.006 56.797 55.803 -0.020 0.000 0.847 389 Q CB -0.056 28.666 28.738 -0.026 0.000 0.903 389 Q HN 0.386 nan 8.270 nan 0.000 0.433 390 E N 0.688 120.877 120.200 -0.018 0.000 2.072 390 E HA -0.168 4.181 4.350 -0.001 0.000 0.191 390 E C 1.933 178.525 176.600 -0.012 0.000 0.985 390 E CA 0.662 57.049 56.400 -0.022 0.000 0.801 390 E CB 0.229 29.916 29.700 -0.021 0.000 0.750 390 E HN 0.247 nan 8.360 nan 0.000 0.452 391 R N 0.230 120.731 120.500 0.003 0.000 2.115 391 R HA -0.084 4.256 4.340 -0.001 0.000 0.226 391 R C 2.176 178.481 176.300 0.008 0.000 1.100 391 R CA 0.967 57.077 56.100 0.016 0.000 0.980 391 R CB -0.238 30.076 30.300 0.023 0.000 0.875 391 R HN 0.262 nan 8.270 nan 0.000 0.445 392 E N 0.498 120.697 120.200 -0.002 0.000 2.216 392 E HA 0.007 4.356 4.350 -0.001 0.000 0.192 392 E C 0.061 176.652 176.600 -0.014 0.000 0.988 392 E CA 0.581 56.977 56.400 -0.006 0.000 0.834 392 E CB 0.336 30.030 29.700 -0.010 0.000 0.772 392 E HN 0.384 nan 8.360 nan 0.000 0.479 393 G N -0.559 108.229 108.800 -0.021 0.000 2.592 393 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.685 393 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.685 393 G C 0.069 174.951 174.900 -0.029 0.000 1.278 393 G CA -0.482 44.600 45.100 -0.029 0.000 0.822 393 G HN 0.087 nan 8.290 nan 0.000 0.652 394 L N 0.610 121.819 121.223 -0.022 0.000 2.179 394 L HA 0.013 4.353 4.340 -0.001 0.000 0.208 394 L C 2.524 179.405 176.870 0.018 0.000 1.096 394 L CA 1.535 56.370 54.840 -0.008 0.000 0.779 394 L CB -0.429 41.646 42.059 0.026 0.000 0.922 394 L HN 0.637 nan 8.230 nan 0.000 0.443 395 D N 0.387 120.812 120.400 0.041 0.000 2.103 395 D HA -0.187 4.452 4.640 -0.001 0.000 0.190 395 D C 2.211 178.521 176.300 0.017 0.000 0.997 395 D CA 1.928 55.967 54.000 0.064 0.000 0.833 395 D CB -0.551 40.235 40.800 -0.024 0.000 0.961 395 D HN 0.290 nan 8.370 nan 0.000 0.447 396 V N -0.498 119.404 119.914 -0.020 0.000 2.358 396 V HA -0.147 3.972 4.120 -0.001 0.000 0.246 396 V C 1.778 177.844 176.094 -0.047 0.000 1.047 396 V CA 1.636 63.918 62.300 -0.030 0.000 1.035 396 V CB -0.553 31.254 31.823 -0.027 0.000 0.658 396 V HN 0.065 nan 8.190 nan 0.000 0.452 397 N N 0.900 119.564 118.700 -0.059 0.000 2.207 397 N HA -0.043 4.696 4.740 -0.001 0.000 0.182 397 N C 2.030 177.457 175.510 -0.139 0.000 1.020 397 N CA 1.819 54.821 53.050 -0.078 0.000 0.858 397 N CB -0.062 38.389 38.487 -0.061 0.000 0.991 397 N HN 0.557 nan 8.380 nan 0.000 0.427 398 S N -0.390 115.169 115.700 -0.235 0.000 2.470 398 S HA 0.078 4.547 4.470 -0.001 0.000 0.222 398 S C 0.894 175.059 174.600 -0.726 0.000 1.024 398 S CA 0.319 58.229 58.200 -0.484 0.000 0.931 398 S CB 0.174 62.998 63.200 -0.627 0.000 0.791 398 S HN 0.426 nan 8.310 nan 0.000 0.513 399 H N -0.260 118.723 119.070 -0.144 0.000 2.923 399 H HA 0.312 4.867 4.556 -0.001 0.000 0.268 399 H C 1.388 176.643 175.328 -0.121 0.000 1.148 399 H CA 0.338 56.281 56.048 -0.176 0.000 1.146 399 H CB 0.127 29.765 29.762 -0.208 0.000 1.607 399 H HN 0.416 nan 8.280 nan 0.000 0.566 400 G N 2.074 110.859 108.800 -0.025 0.000 2.341 400 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.292 400 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.292 400 G C -0.175 174.713 174.900 -0.019 0.000 1.021 400 G CA 0.730 45.815 45.100 -0.026 0.000 0.905 400 G HN 0.513 nan 8.290 nan 0.000 0.508 401 E N -0.599 119.592 120.200 -0.016 0.000 2.356 401 E HA 0.320 4.669 4.350 -0.001 0.000 0.275 401 E C -0.746 175.821 176.600 -0.054 0.000 0.904 401 E CA -0.949 55.429 56.400 -0.037 0.000 0.757 401 E CB 1.605 31.275 29.700 -0.050 0.000 1.232 401 E HN 0.183 nan 8.360 nan 0.000 0.442 402 N N 0.899 119.560 118.700 -0.064 0.000 2.372 402 N HA 0.292 5.031 4.740 -0.001 0.000 0.291 402 N C 0.282 175.706 175.510 -0.144 0.000 1.024 402 N CA 0.026 53.026 53.050 -0.083 0.000 0.873 402 N CB 1.676 40.137 38.487 -0.044 0.000 1.206 402 N HN 0.567 nan 8.380 nan 0.000 0.486 403 A N 3.769 126.434 122.820 -0.258 0.000 1.858 403 A HA -0.106 4.214 4.320 -0.001 0.000 0.216 403 A C -0.120 177.139 177.584 -0.542 0.000 1.190 403 A CA 1.324 53.053 52.037 -0.514 0.000 0.617 403 A CB -0.357 18.121 19.000 -0.869 0.000 0.827 403 A HN 0.720 nan 8.150 nan 0.000 0.443 404 Y N 0.801 121.099 120.300 -0.003 0.000 2.356 404 Y HA 0.440 4.990 4.550 -0.001 0.000 0.334 404 Y C -0.070 175.832 175.900 0.004 0.000 0.958 404 Y CA -1.528 56.576 58.100 0.008 0.000 1.196 404 Y CB 0.710 39.182 38.460 0.021 0.000 1.137 404 Y HN 0.216 nan 8.280 nan 0.000 0.485 405 N N 1.039 119.820 118.700 0.135 0.000 2.471 405 N HA 0.653 5.392 4.740 -0.001 0.000 0.288 405 N C 0.080 175.634 175.510 0.072 0.000 1.220 405 N CA -0.727 52.369 53.050 0.077 0.000 0.893 405 N CB 1.582 40.093 38.487 0.039 0.000 1.256 405 N HN 0.681 nan 8.380 nan 0.000 0.534 406 A N 0.000 122.848 122.820 0.047 0.000 2.254 406 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 406 A CA 0.000 52.058 52.037 0.035 0.000 0.836 406 A CB 0.000 19.014 19.000 0.024 0.000 0.831 406 A HN 0.000 nan 8.150 nan 0.000 0.486