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 1on3_1_A DATA FIRST_RESID 8 DATA SEQUENCE KLASTMEGRV EQLAEQRQVI EAGGGERRVE KQHSQGKQTA RERLNNLLDP DATA SEQUENCE HSFDEVGAFR KHRTTLFGMD KAVVPADGVV TGRGTILGRP VHAASQDFTV DATA SEQUENCE MGGSAGETQS TKVVETMEQA LLTGTPFLFF YDSGGARIQE GIDSLSGYGK DATA SEQUENCE MFFANVKLSG VVPQIAIIAG PCAGGASYSP ALTDFIIMTK KAHMFITGPQ DATA SEQUENCE VIKSVTGEDV TADELGGAEA HMAISGNIHF VAEDDDAAEL IAKKLLSFLP DATA SEQUENCE QNNTEEASFV NPNNDVSPNT ELRDIVPIDG KKGYDVRDVI AKIVDWGDYL DATA SEQUENCE EVKAGYATNL VTAFARVNGR SVGIVANQPS VMSGCLDINA SDKAAEFVNF DATA SEQUENCE CDSFNIPLVQ LVDVPGFLPG VQQEYGGIIR HGAKMLYAYS EATVPKITVV DATA SEQUENCE LRKAYGGSYL AMCNRDLGAD AVYAWPSAEI AVMGAEGAAN VIFRKEIKAA DATA SEQUENCE DDPDAMRAEK IEEYQNAFNT PYVAAARGQV DDVIDPADTR RKIASALEMY DATA SEQUENCE ATKRQTRPAK KHGNFPC VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.588 176.600 -0.019 0.000 0.988 8 K CA 0.000 56.277 56.287 -0.016 0.000 0.838 8 K CB 0.000 32.493 32.500 -0.011 0.000 1.064 9 L N 3.253 124.462 121.223 -0.024 0.000 2.397 9 L HA 0.498 4.838 4.340 0.001 0.000 0.271 9 L C 0.905 177.764 176.870 -0.019 0.000 1.148 9 L CA -0.595 54.229 54.840 -0.026 0.000 0.825 9 L CB 1.153 43.193 42.059 -0.032 0.000 1.117 9 L HN 0.737 nan 8.230 nan 0.000 0.456 10 A N 1.603 124.412 122.820 -0.018 0.000 2.406 10 A HA 0.200 4.521 4.320 0.001 0.000 0.243 10 A C 1.224 178.800 177.584 -0.013 0.000 1.082 10 A CA 0.245 52.274 52.037 -0.013 0.000 0.786 10 A CB 0.352 19.346 19.000 -0.011 0.000 1.029 10 A HN 0.910 nan 8.150 nan 0.000 0.495 11 S N -0.030 115.664 115.700 -0.010 0.000 2.453 11 S HA 0.030 4.500 4.470 0.001 0.000 0.231 11 S C 0.843 175.437 174.600 -0.009 0.000 1.005 11 S CA 1.041 59.236 58.200 -0.010 0.000 0.949 11 S CB -0.756 62.439 63.200 -0.008 0.000 0.774 11 S HN 1.404 nan 8.310 nan 0.000 0.510 12 T N -2.346 112.202 114.554 -0.009 0.000 2.930 12 T HA 0.629 4.979 4.350 0.001 0.000 0.290 12 T C 0.600 175.295 174.700 -0.010 0.000 1.052 12 T CA -0.792 61.303 62.100 -0.008 0.000 1.017 12 T CB 1.467 70.331 68.868 -0.006 0.000 1.137 12 T HN -0.032 nan 8.240 nan 0.000 0.511 13 M N 0.793 120.387 119.600 -0.010 0.000 2.117 13 M HA 0.045 4.525 4.480 0.001 0.000 0.262 13 M C 1.808 178.103 176.300 -0.008 0.000 1.065 13 M CA 1.789 57.082 55.300 -0.011 0.000 1.114 13 M CB -1.101 31.493 32.600 -0.009 0.000 1.361 13 M HN 0.801 nan 8.290 nan 0.000 0.408 14 E N -0.207 119.990 120.200 -0.006 0.000 2.058 14 E HA -0.089 4.262 4.350 0.001 0.000 0.194 14 E C 2.034 178.633 176.600 -0.002 0.000 0.997 14 E CA 1.634 58.033 56.400 -0.003 0.000 0.801 14 E CB -1.160 28.539 29.700 -0.002 0.000 0.746 14 E HN 0.655 nan 8.360 nan 0.000 0.450 15 G N 0.589 109.387 108.800 -0.004 0.000 2.418 15 G HA2 -0.299 3.662 3.960 0.001 0.000 0.217 15 G HA3 -0.299 3.662 3.960 0.001 0.000 0.217 15 G C 1.505 176.402 174.900 -0.006 0.000 1.158 15 G CA 0.764 45.862 45.100 -0.004 0.000 0.771 15 G HN 0.144 nan 8.290 nan 0.000 0.545 16 R N -0.237 120.256 120.500 -0.011 0.000 2.096 16 R HA -0.004 4.337 4.340 0.001 0.000 0.235 16 R C 2.609 178.900 176.300 -0.014 0.000 1.127 16 R CA 0.998 57.087 56.100 -0.018 0.000 0.968 16 R CB -0.489 29.796 30.300 -0.025 0.000 0.861 16 R HN 0.311 nan 8.270 nan 0.000 0.440 17 V N 1.357 121.267 119.914 -0.007 0.000 2.358 17 V HA -0.214 3.906 4.120 0.001 0.000 0.246 17 V C 1.962 178.063 176.094 0.012 0.000 1.047 17 V CA 1.778 64.079 62.300 0.002 0.000 1.035 17 V CB -0.362 31.463 31.823 0.004 0.000 0.658 17 V HN 0.341 nan 8.190 nan 0.000 0.452 18 E N -0.389 119.817 120.200 0.010 0.000 2.072 18 E HA -0.279 4.071 4.350 0.001 0.000 0.191 18 E C 2.276 178.888 176.600 0.020 0.000 0.985 18 E CA 1.269 57.678 56.400 0.015 0.000 0.801 18 E CB -0.146 29.561 29.700 0.011 0.000 0.750 18 E HN 0.608 nan 8.360 nan 0.000 0.452 19 Q N 0.599 120.405 119.800 0.011 0.000 2.084 19 Q HA -0.207 4.134 4.340 0.001 0.000 0.202 19 Q C 2.305 178.317 176.000 0.020 0.000 0.978 19 Q CA 1.043 56.852 55.803 0.010 0.000 0.844 19 Q CB -0.041 28.693 28.738 -0.007 0.000 0.898 19 Q HN 0.207 nan 8.270 nan 0.000 0.426 20 L N 0.611 121.841 121.223 0.013 0.000 2.012 20 L HA -0.132 4.209 4.340 0.001 0.000 0.210 20 L C 2.198 179.134 176.870 0.110 0.000 1.073 20 L CA 2.335 57.195 54.840 0.033 0.000 0.748 20 L CB -0.981 41.087 42.059 0.015 0.000 0.891 20 L HN 0.226 nan 8.230 nan 0.000 0.431 21 A N -0.764 122.104 122.820 0.079 0.000 1.908 21 A HA -0.251 4.070 4.320 0.001 0.000 0.218 21 A C 2.157 179.792 177.584 0.085 0.000 1.181 21 A CA 1.932 54.019 52.037 0.082 0.000 0.627 21 A CB -0.690 18.342 19.000 0.053 0.000 0.818 21 A HN 0.636 nan 8.150 nan 0.000 0.445 22 E N -0.634 119.608 120.200 0.070 0.000 2.077 22 E HA -0.194 4.157 4.350 0.001 0.000 0.193 22 E C 2.295 178.949 176.600 0.091 0.000 0.989 22 E CA 1.228 57.666 56.400 0.064 0.000 0.800 22 E CB -0.117 29.611 29.700 0.047 0.000 0.746 22 E HN 0.542 nan 8.360 nan 0.000 0.452 23 Q N 0.284 120.163 119.800 0.132 0.000 2.119 23 Q HA -0.113 4.228 4.340 0.001 0.000 0.201 23 Q C 2.096 178.252 176.000 0.260 0.000 0.972 23 Q CA 0.974 56.903 55.803 0.210 0.000 0.847 23 Q CB -0.275 28.609 28.738 0.244 0.000 0.903 23 Q HN 0.213 nan 8.270 nan 0.000 0.433 24 R N 0.696 121.357 120.500 0.268 0.000 2.096 24 R HA -0.141 4.199 4.340 0.001 0.000 0.235 24 R C 2.257 178.560 176.300 0.005 0.000 1.127 24 R CA 1.231 57.382 56.100 0.085 0.000 0.968 24 R CB 0.028 30.398 30.300 0.117 0.000 0.861 24 R HN 0.203 nan 8.270 nan 0.000 0.440 25 Q N 0.615 120.442 119.800 0.045 0.000 2.084 25 Q HA -0.132 4.209 4.340 0.001 0.000 0.202 25 Q C 1.951 177.960 176.000 0.015 0.000 0.978 25 Q CA 1.935 57.753 55.803 0.025 0.000 0.844 25 Q CB -0.131 28.628 28.738 0.035 0.000 0.898 25 Q HN 0.299 nan 8.270 nan 0.000 0.426 26 V N 1.607 121.540 119.914 0.032 0.000 2.287 26 V HA -0.280 3.840 4.120 0.001 0.000 0.248 26 V C 2.620 178.716 176.094 0.003 0.000 1.053 26 V CA 1.457 63.773 62.300 0.027 0.000 1.027 26 V CB -0.575 31.279 31.823 0.051 0.000 0.646 26 V HN 0.346 nan 8.190 nan 0.000 0.447 27 I N 0.059 120.615 120.570 -0.023 0.000 2.179 27 I HA -0.220 3.951 4.170 0.001 0.000 0.242 27 I C 2.501 178.578 176.117 -0.066 0.000 1.088 27 I CA 1.680 62.936 61.300 -0.074 0.000 1.357 27 I CB -1.213 36.654 38.000 -0.223 0.000 1.051 27 I HN 0.456 nan 8.210 nan 0.000 0.409 28 E N 0.619 120.781 120.200 -0.063 0.000 2.265 28 E HA -0.131 4.220 4.350 0.001 0.000 0.196 28 E C 2.080 178.665 176.600 -0.026 0.000 0.996 28 E CA 0.984 57.360 56.400 -0.040 0.000 0.832 28 E CB -0.079 29.606 29.700 -0.026 0.000 0.756 28 E HN 0.467 nan 8.360 nan 0.000 0.491 29 A N 0.868 123.677 122.820 -0.019 0.000 2.209 29 A HA 0.161 4.481 4.320 0.001 0.000 0.212 29 A C 1.577 179.148 177.584 -0.022 0.000 1.158 29 A CA 0.927 52.956 52.037 -0.014 0.000 0.742 29 A CB -0.747 18.251 19.000 -0.004 0.000 0.790 29 A HN 0.332 nan 8.150 nan 0.000 0.472 30 G N -0.578 108.207 108.800 -0.025 0.000 2.651 30 G HA2 -0.261 3.699 3.960 0.001 0.000 0.315 30 G HA3 -0.261 3.699 3.960 0.001 0.000 0.315 30 G C 1.342 176.225 174.900 -0.028 0.000 1.258 30 G CA 0.510 45.593 45.100 -0.028 0.000 1.002 30 G HN 1.342 nan 8.290 nan 0.000 0.551 31 G N 0.547 109.326 108.800 -0.036 0.000 2.776 31 G HA2 0.506 4.467 3.960 0.001 0.000 0.209 31 G HA3 0.506 4.467 3.960 0.001 0.000 0.209 31 G C 1.377 176.259 174.900 -0.030 0.000 1.145 31 G CA 1.603 46.678 45.100 -0.041 0.000 0.791 31 G HN 2.571 nan 8.290 nan 0.000 0.530 32 G N -0.669 108.117 108.800 -0.024 0.000 2.619 32 G HA2 -0.156 3.804 3.960 0.001 0.000 0.686 32 G HA3 -0.156 3.804 3.960 0.001 0.000 0.686 32 G C 0.352 175.242 174.900 -0.016 0.000 1.256 32 G CA 0.321 45.411 45.100 -0.015 0.000 0.826 32 G HN 0.246 nan 8.290 nan 0.000 0.619 33 E N 0.015 120.211 120.200 -0.006 0.000 2.065 33 E HA -0.266 4.084 4.350 0.001 0.000 0.201 33 E C 2.394 178.994 176.600 -0.000 0.000 1.016 33 E CA 1.725 58.125 56.400 0.000 0.000 0.818 33 E CB -0.095 29.611 29.700 0.011 0.000 0.749 33 E HN 0.574 nan 8.360 nan 0.000 0.453 34 R N 0.210 120.711 120.500 0.002 0.000 2.094 34 R HA -0.172 4.168 4.340 0.001 0.000 0.239 34 R C 2.538 178.840 176.300 0.004 0.000 1.137 34 R CA 2.017 58.121 56.100 0.007 0.000 0.943 34 R CB -0.136 30.168 30.300 0.007 0.000 0.850 34 R HN 0.170 nan 8.270 nan 0.000 0.433 35 R N -0.298 120.199 120.500 -0.006 0.000 2.115 35 R HA -0.046 4.294 4.340 0.001 0.000 0.230 35 R C 2.258 178.544 176.300 -0.023 0.000 1.111 35 R CA 1.172 57.271 56.100 -0.003 0.000 0.976 35 R CB -0.132 30.157 30.300 -0.018 0.000 0.870 35 R HN 0.157 nan 8.270 nan 0.000 0.445 36 V N 1.404 121.281 119.914 -0.062 0.000 2.427 36 V HA -0.192 3.929 4.120 0.001 0.000 0.248 36 V C 1.976 177.956 176.094 -0.190 0.000 1.051 36 V CA 1.672 63.872 62.300 -0.166 0.000 1.048 36 V CB -0.332 31.399 31.823 -0.154 0.000 0.666 36 V HN 0.327 nan 8.190 nan 0.000 0.456 37 E N -0.067 120.109 120.200 -0.041 0.000 2.077 37 E HA -0.261 4.089 4.350 0.001 0.000 0.193 37 E C 2.266 178.893 176.600 0.045 0.000 0.989 37 E CA 1.257 57.682 56.400 0.042 0.000 0.800 37 E CB -0.125 29.605 29.700 0.049 0.000 0.746 37 E HN 0.489 nan 8.360 nan 0.000 0.452 38 K N 0.874 121.289 120.400 0.026 0.000 2.057 38 K HA -0.250 4.071 4.320 0.001 0.000 0.206 38 K C 2.284 178.911 176.600 0.045 0.000 1.050 38 K CA 1.422 57.736 56.287 0.046 0.000 0.935 38 K CB 0.068 32.604 32.500 0.061 0.000 0.715 38 K HN -0.074 nan 8.250 nan 0.000 0.439 39 Q N 0.263 120.067 119.800 0.008 0.000 2.020 39 Q HA -0.196 4.145 4.340 0.001 0.000 0.202 39 Q C 1.628 177.642 176.000 0.023 0.000 0.982 39 Q CA 2.105 57.901 55.803 -0.012 0.000 0.838 39 Q CB -0.272 28.414 28.738 -0.087 0.000 0.899 39 Q HN 0.566 nan 8.270 nan 0.000 0.423 40 H N -0.791 118.286 119.070 0.011 0.000 2.387 40 H HA -0.096 4.460 4.556 0.001 0.000 0.299 40 H C 2.199 177.527 175.328 -0.000 0.000 1.099 40 H CA 1.202 57.249 56.048 -0.002 0.000 1.315 40 H CB 0.023 29.783 29.762 -0.003 0.000 1.380 40 H HN 0.496 nan 8.280 nan 0.000 0.513 41 S N 0.576 116.357 115.700 0.135 0.000 2.442 41 S HA -0.168 4.303 4.470 0.001 0.000 0.236 41 S C 1.656 176.288 174.600 0.053 0.000 1.007 41 S CA 0.971 59.216 58.200 0.076 0.000 0.965 41 S CB -0.029 63.207 63.200 0.060 0.000 0.773 41 S HN 0.482 nan 8.310 nan 0.000 0.504 42 Q N 0.566 120.395 119.800 0.049 0.000 2.320 42 Q HA 0.334 4.674 4.340 0.001 0.000 0.201 42 Q C 1.008 177.021 176.000 0.021 0.000 0.910 42 Q CA 0.166 55.984 55.803 0.026 0.000 0.946 42 Q CB 0.102 28.843 28.738 0.005 0.000 1.062 42 Q HN 0.770 nan 8.270 nan 0.000 0.503 43 G N 1.654 110.476 108.800 0.036 0.000 2.176 43 G HA2 -0.294 3.667 3.960 0.001 0.000 0.252 43 G HA3 -0.294 3.667 3.960 0.001 0.000 0.252 43 G C -0.337 174.578 174.900 0.024 0.000 1.024 43 G CA 0.170 45.285 45.100 0.025 0.000 0.755 43 G HN 0.219 nan 8.290 nan 0.000 0.507 44 K N -0.113 120.313 120.400 0.044 0.000 2.316 44 K HA 0.530 4.850 4.320 0.001 0.000 0.251 44 K C 0.450 177.101 176.600 0.085 0.000 0.934 44 K CA -0.743 55.561 56.287 0.028 0.000 0.802 44 K CB 1.739 34.228 32.500 -0.018 0.000 1.171 44 K HN 0.336 nan 8.250 nan 0.000 0.426 45 Q N 0.589 120.412 119.800 0.039 0.000 2.318 45 Q HA 0.178 4.518 4.340 0.001 0.000 0.222 45 Q C 0.262 176.248 176.000 -0.024 0.000 1.003 45 Q CA -0.477 55.361 55.803 0.058 0.000 0.936 45 Q CB 0.900 29.614 28.738 -0.039 0.000 1.204 45 Q HN 0.689 nan 8.270 nan 0.000 0.524 46 T N -2.705 111.824 114.554 -0.041 0.000 2.847 46 T HA 0.428 4.778 4.350 0.001 0.000 0.279 46 T C 1.056 175.670 174.700 -0.142 0.000 0.984 46 T CA -0.235 61.805 62.100 -0.100 0.000 0.988 46 T CB 1.038 69.842 68.868 -0.107 0.000 1.040 46 T HN 0.637 nan 8.240 nan 0.000 0.528 47 A N 1.083 123.832 122.820 -0.118 0.000 1.917 47 A HA -0.131 4.189 4.320 0.001 0.000 0.219 47 A C 2.533 179.977 177.584 -0.232 0.000 1.182 47 A CA 1.566 53.509 52.037 -0.157 0.000 0.633 47 A CB -0.793 18.169 19.000 -0.063 0.000 0.819 47 A HN 0.903 nan 8.150 nan 0.000 0.448 48 R N -0.712 119.685 120.500 -0.172 0.000 2.148 48 R HA -0.033 4.308 4.340 0.001 0.000 0.223 48 R C 2.031 178.206 176.300 -0.208 0.000 1.088 48 R CA 1.222 57.208 56.100 -0.190 0.000 0.985 48 R CB -0.192 30.047 30.300 -0.102 0.000 0.880 48 R HN 0.681 nan 8.270 nan 0.000 0.451 49 E N 0.388 120.484 120.200 -0.173 0.000 2.107 49 E HA -0.128 4.223 4.350 0.001 0.000 0.191 49 E C 1.989 178.443 176.600 -0.244 0.000 0.982 49 E CA 0.820 57.129 56.400 -0.151 0.000 0.809 49 E CB 0.096 29.755 29.700 -0.068 0.000 0.756 49 E HN 0.228 nan 8.360 nan 0.000 0.459 50 R N 0.440 120.705 120.500 -0.391 0.000 2.083 50 R HA -0.118 4.223 4.340 0.001 0.000 0.237 50 R C 2.404 178.373 176.300 -0.552 0.000 1.137 50 R CA 1.100 56.796 56.100 -0.673 0.000 0.951 50 R CB -0.279 29.210 30.300 -1.350 0.000 0.851 50 R HN 0.162 nan 8.270 nan 0.000 0.434 51 L N 0.300 121.235 121.223 -0.479 0.000 2.056 51 L HA -0.160 4.180 4.340 0.001 0.000 0.207 51 L C 2.204 178.913 176.870 -0.269 0.000 1.078 51 L CA 1.158 55.784 54.840 -0.357 0.000 0.749 51 L CB -0.458 41.218 42.059 -0.639 0.000 0.901 51 L HN 0.228 nan 8.230 nan 0.000 0.433 52 N N 0.499 119.048 118.700 -0.253 0.000 2.166 52 N HA -0.197 4.543 4.740 0.001 0.000 0.186 52 N C 1.480 176.915 175.510 -0.126 0.000 1.019 52 N CA 1.661 54.613 53.050 -0.163 0.000 0.856 52 N CB -0.090 38.316 38.487 -0.136 0.000 0.993 52 N HN 0.319 nan 8.380 nan 0.000 0.426 53 N N -0.840 117.784 118.700 -0.127 0.000 2.250 53 N HA -0.068 4.672 4.740 0.001 0.000 0.181 53 N C 1.448 176.930 175.510 -0.046 0.000 1.017 53 N CA 0.608 53.607 53.050 -0.085 0.000 0.866 53 N CB 0.010 38.446 38.487 -0.085 0.000 0.985 53 N HN 0.162 nan 8.380 nan 0.000 0.429 54 L N 1.230 122.443 121.223 -0.018 0.000 2.044 54 L HA 0.109 4.450 4.340 0.001 0.000 0.205 54 L C 0.312 177.181 176.870 -0.001 0.000 1.075 54 L CA 1.127 55.989 54.840 0.037 0.000 0.747 54 L CB -0.222 41.935 42.059 0.164 0.000 0.903 54 L HN 0.008 nan 8.230 nan 0.000 0.435 55 L N 0.513 121.725 121.223 -0.018 0.000 2.418 55 L HA 0.196 4.536 4.340 0.001 0.000 0.265 55 L C -0.022 176.838 176.870 -0.017 0.000 1.143 55 L CA -0.965 53.871 54.840 -0.007 0.000 0.809 55 L CB 0.059 42.128 42.059 0.016 0.000 1.124 55 L HN 0.054 nan 8.230 nan 0.000 0.456 56 D N 1.643 122.041 120.400 -0.002 0.000 2.506 56 D HA 0.061 4.702 4.640 0.001 0.000 0.234 56 D C -2.181 174.108 176.300 -0.019 0.000 1.143 56 D CA -0.690 53.306 54.000 -0.006 0.000 0.871 56 D CB 0.194 41.001 40.800 0.012 0.000 1.190 56 D HN 0.225 nan 8.370 nan 0.000 0.459 57 P HA -0.094 nan 4.420 nan 0.000 0.260 57 P C 0.069 177.309 177.300 -0.100 0.000 1.172 57 P CA 0.668 63.660 63.100 -0.180 0.000 0.760 57 P CB 0.175 31.802 31.700 -0.123 0.000 0.773 58 H N 0.189 119.281 119.070 0.037 0.000 3.395 58 H HA -0.171 4.386 4.556 0.001 0.000 0.222 58 H C 1.235 176.595 175.328 0.052 0.000 1.099 58 H CA 1.461 57.536 56.048 0.044 0.000 1.182 58 H CB -1.979 27.797 29.762 0.024 0.000 1.188 58 H HN 0.568 nan 8.280 nan 0.000 0.317 59 S N -0.386 115.392 115.700 0.131 0.000 2.496 59 S HA 0.012 4.483 4.470 0.001 0.000 0.224 59 S C 0.633 175.311 174.600 0.130 0.000 0.996 59 S CA -0.212 58.053 58.200 0.107 0.000 0.927 59 S CB -0.110 63.135 63.200 0.076 0.000 0.774 59 S HN 0.255 nan 8.310 nan 0.000 0.524 60 F N 3.839 123.788 119.950 -0.003 0.000 2.571 60 F HA 0.364 4.892 4.527 0.001 0.000 0.384 60 F C -0.034 175.765 175.800 -0.001 0.000 1.058 60 F CA -1.251 56.743 58.000 -0.011 0.000 1.200 60 F CB 0.208 39.198 39.000 -0.017 0.000 1.077 60 F HN 0.109 nan 8.300 nan 0.000 0.558 61 D N 5.476 125.518 120.400 -0.597 0.000 2.461 61 D HA 0.133 4.773 4.640 0.001 0.000 0.240 61 D C -0.630 175.158 176.300 -0.852 0.000 1.094 61 D CA -0.373 53.307 54.000 -0.533 0.000 0.868 61 D CB 0.394 41.044 40.800 -0.250 0.000 1.062 61 D HN 0.656 nan 8.370 nan 0.000 0.530 62 E N 2.456 122.102 120.200 -0.923 0.000 2.354 62 E HA 0.384 4.735 4.350 0.001 0.000 0.269 62 E C -1.008 175.442 176.600 -0.249 0.000 1.036 62 E CA -0.643 55.351 56.400 -0.677 0.000 0.876 62 E CB 1.036 30.512 29.700 -0.374 0.000 1.009 62 E HN 0.198 nan 8.360 nan 0.000 0.416 63 V N 3.456 123.300 119.914 -0.117 0.000 2.487 63 V HA 0.483 4.604 4.120 0.001 0.000 0.298 63 V C 0.643 176.743 176.094 0.009 0.000 1.028 63 V CA 0.246 62.529 62.300 -0.030 0.000 0.860 63 V CB 1.338 33.164 31.823 0.005 0.000 0.991 63 V HN 1.011 nan 8.190 nan 0.000 0.427 64 G N 3.929 112.745 108.800 0.026 0.000 2.137 64 G HA2 -0.155 3.805 3.960 0.001 0.000 0.237 64 G HA3 -0.155 3.805 3.960 0.001 0.000 0.237 64 G C 0.930 175.834 174.900 0.008 0.000 1.002 64 G CA 0.451 45.575 45.100 0.040 0.000 0.702 64 G HN 1.353 nan 8.290 nan 0.000 0.515 65 A N -0.385 122.398 122.820 -0.061 0.000 1.908 65 A HA 0.242 4.563 4.320 0.001 0.000 0.218 65 A C 1.780 179.189 177.584 -0.292 0.000 1.181 65 A CA 2.009 53.908 52.037 -0.230 0.000 0.627 65 A CB -0.366 18.373 19.000 -0.435 0.000 0.818 65 A HN 0.825 nan 8.150 nan 0.000 0.445 66 F N -0.629 119.335 119.950 0.023 0.000 2.773 66 F HA 0.240 4.767 4.527 0.001 0.000 0.304 66 F C 1.032 176.845 175.800 0.022 0.000 1.129 66 F CA -0.257 57.755 58.000 0.021 0.000 1.378 66 F CB -0.020 38.987 39.000 0.011 0.000 1.095 66 F HN 0.008 nan 8.300 nan 0.000 0.565 67 R N 2.413 122.997 120.500 0.140 0.000 2.537 67 R HA 0.186 4.526 4.340 0.001 0.000 0.280 67 R C -0.771 175.589 176.300 0.100 0.000 1.058 67 R CA 0.381 56.543 56.100 0.103 0.000 1.057 67 R CB 0.225 30.568 30.300 0.071 0.000 0.973 67 R HN 0.110 nan 8.270 nan 0.000 0.438 68 K N 3.416 123.867 120.400 0.084 0.000 2.422 68 K HA 0.225 4.545 4.320 0.001 0.000 0.251 68 K C -0.688 175.944 176.600 0.053 0.000 0.933 68 K CA -1.053 55.288 56.287 0.089 0.000 0.798 68 K CB 1.422 33.940 32.500 0.029 0.000 1.238 68 K HN 0.798 nan 8.250 nan 0.000 0.428 69 H N 1.454 120.537 119.070 0.021 0.000 2.913 69 H HA 0.107 4.663 4.556 0.001 0.000 0.365 69 H C -0.154 175.181 175.328 0.012 0.000 1.155 69 H CA 0.324 56.380 56.048 0.014 0.000 1.417 69 H CB 0.817 30.586 29.762 0.012 0.000 1.386 69 H HN 0.626 nan 8.280 nan 0.000 0.614 70 R N 0.168 120.635 120.500 -0.055 0.000 2.476 70 R HA 0.089 4.429 4.340 0.001 0.000 0.276 70 R C 0.132 176.413 176.300 -0.032 0.000 0.941 70 R CA 0.263 56.298 56.100 -0.109 0.000 1.088 70 R CB 0.483 30.754 30.300 -0.048 0.000 1.216 70 R HN 0.791 nan 8.270 nan 0.000 0.533 71 T N -0.816 113.794 114.554 0.094 0.000 2.926 71 T HA 0.082 4.433 4.350 0.001 0.000 0.307 71 T C 1.244 176.018 174.700 0.123 0.000 1.059 71 T CA 0.106 62.279 62.100 0.123 0.000 1.122 71 T CB 1.550 70.514 68.868 0.159 0.000 0.972 71 T HN 0.177 nan 8.240 nan 0.000 0.545 72 T N -1.105 113.486 114.554 0.060 0.000 2.969 72 T HA 0.288 4.639 4.350 0.001 0.000 0.258 72 T C 0.704 175.403 174.700 -0.002 0.000 0.962 72 T CA -0.503 61.617 62.100 0.032 0.000 0.903 72 T CB -0.092 68.769 68.868 -0.010 0.000 1.177 72 T HN 0.500 nan 8.240 nan 0.000 0.511 73 L N 1.531 122.738 121.223 -0.028 0.000 2.464 73 L HA 0.352 4.693 4.340 0.001 0.000 0.264 73 L C 0.088 176.940 176.870 -0.029 0.000 1.199 73 L CA -0.638 54.107 54.840 -0.157 0.000 0.818 73 L CB -0.376 41.540 42.059 -0.238 0.000 1.102 73 L HN 0.206 nan 8.230 nan 0.000 0.473 74 F N 1.544 121.500 119.950 0.011 0.000 2.943 74 F HA -0.214 4.314 4.527 0.001 0.000 0.258 74 F C 1.350 177.154 175.800 0.006 0.000 0.995 74 F CA 1.002 59.006 58.000 0.006 0.000 0.896 74 F CB -2.132 36.869 39.000 0.002 0.000 0.821 74 F HN 0.817 nan 8.300 nan 0.000 0.828 75 G N -1.442 107.420 108.800 0.104 0.000 2.179 75 G HA2 -0.373 3.587 3.960 0.001 0.000 0.260 75 G HA3 -0.373 3.587 3.960 0.001 0.000 0.260 75 G C 0.921 175.869 174.900 0.079 0.000 0.977 75 G CA 0.339 45.487 45.100 0.080 0.000 0.641 75 G HN 0.359 nan 8.290 nan 0.000 0.533 76 M N 1.556 121.214 119.600 0.096 0.000 2.476 76 M HA 0.050 4.531 4.480 0.001 0.000 0.262 76 M C 2.161 178.595 176.300 0.223 0.000 1.079 76 M CA 1.711 57.091 55.300 0.133 0.000 1.104 76 M CB -0.780 31.907 32.600 0.145 0.000 1.409 76 M HN 0.562 nan 8.290 nan 0.000 0.467 77 D N 0.004 120.472 120.400 0.115 0.000 2.269 77 D HA -0.153 4.488 4.640 0.001 0.000 0.208 77 D C 1.345 177.689 176.300 0.073 0.000 0.963 77 D CA 1.064 55.109 54.000 0.074 0.000 0.864 77 D CB -0.223 40.589 40.800 0.021 0.000 0.936 77 D HN 0.351 nan 8.370 nan 0.000 0.505 78 K N -0.154 120.294 120.400 0.080 0.000 2.367 78 K HA 0.350 4.671 4.320 0.001 0.000 0.195 78 K C 0.799 177.448 176.600 0.081 0.000 1.060 78 K CA 0.082 56.407 56.287 0.063 0.000 1.022 78 K CB 0.950 33.474 32.500 0.040 0.000 0.894 78 K HN 0.075 nan 8.250 nan 0.000 0.540 79 A N 1.819 124.700 122.820 0.100 0.000 2.540 79 A HA 0.191 4.511 4.320 0.001 0.000 0.239 79 A C 0.116 177.771 177.584 0.119 0.000 1.061 79 A CA -0.007 52.070 52.037 0.067 0.000 0.758 79 A CB 0.218 19.214 19.000 -0.008 0.000 0.991 79 A HN 0.002 nan 8.150 nan 0.000 0.502 80 V N 3.889 123.843 119.914 0.067 0.000 2.347 80 V HA 0.359 4.479 4.120 0.001 0.000 0.280 80 V C -0.309 175.806 176.094 0.036 0.000 1.021 80 V CA -0.299 62.052 62.300 0.085 0.000 0.847 80 V CB 1.208 33.065 31.823 0.056 0.000 0.990 80 V HN 0.594 nan 8.190 nan 0.000 0.444 81 V N 6.855 126.800 119.914 0.053 0.000 2.327 81 V HA 0.307 4.428 4.120 0.001 0.000 0.272 81 V C -2.478 173.636 176.094 0.032 0.000 1.019 81 V CA -1.986 60.304 62.300 -0.018 0.000 0.814 81 V CB 1.207 32.933 31.823 -0.162 0.000 1.040 81 V HN 0.693 nan 8.190 nan 0.000 0.440 82 P HA 0.095 nan 4.420 nan 0.000 0.260 82 P C 0.900 178.202 177.300 0.003 0.000 1.185 82 P CA 1.082 64.186 63.100 0.008 0.000 0.763 82 P CB 0.599 32.292 31.700 -0.012 0.000 0.776 83 A N 4.376 127.199 122.820 0.005 0.000 2.799 83 A HA -0.292 4.028 4.320 0.001 0.000 0.274 83 A C 1.225 178.829 177.584 0.032 0.000 1.393 83 A CA 1.381 53.422 52.037 0.008 0.000 0.909 83 A CB -2.600 16.393 19.000 -0.012 0.000 1.012 83 A HN 0.614 nan 8.150 nan 0.000 0.653 84 D N -3.835 116.591 120.400 0.043 0.000 2.882 84 D HA -0.025 4.616 4.640 0.001 0.000 0.229 84 D C 1.601 177.912 176.300 0.018 0.000 1.167 84 D CA 3.082 57.103 54.000 0.035 0.000 0.759 84 D CB -1.354 39.485 40.800 0.065 0.000 1.088 84 D HN 2.438 nan 8.370 nan 0.000 0.425 85 G N -2.434 106.373 108.800 0.013 0.000 2.143 85 G HA2 -0.119 3.841 3.960 0.001 0.000 0.249 85 G HA3 -0.119 3.841 3.960 0.001 0.000 0.249 85 G C 0.185 175.118 174.900 0.056 0.000 0.981 85 G CA 0.358 45.472 45.100 0.023 0.000 0.665 85 G HN 1.204 nan 8.290 nan 0.000 0.528 86 V N -0.154 119.789 119.914 0.049 0.000 2.808 86 V HA 0.690 4.810 4.120 0.001 0.000 0.308 86 V C -0.566 175.551 176.094 0.037 0.000 1.099 86 V CA -0.625 61.708 62.300 0.054 0.000 0.920 86 V CB 2.382 34.235 31.823 0.050 0.000 1.014 86 V HN 0.560 nan 8.190 nan 0.000 0.425 87 V N 5.634 125.570 119.914 0.037 0.000 2.370 87 V HA 0.717 4.838 4.120 0.001 0.000 0.283 87 V C 0.200 176.367 176.094 0.121 0.000 1.023 87 V CA -0.038 62.307 62.300 0.074 0.000 0.857 87 V CB 1.646 33.485 31.823 0.027 0.000 0.985 87 V HN 1.055 nan 8.190 nan 0.000 0.443 88 T N 1.394 116.072 114.554 0.208 0.000 2.906 88 T HA 0.979 5.329 4.350 0.001 0.000 0.295 88 T C -0.055 174.843 174.700 0.331 0.000 1.061 88 T CA -0.072 62.169 62.100 0.235 0.000 1.000 88 T CB 2.338 71.271 68.868 0.108 0.000 1.103 88 T HN 1.278 nan 8.240 nan 0.000 0.486 89 G N 1.169 110.185 108.800 0.361 0.000 2.360 89 G HA2 0.533 4.493 3.960 0.001 0.000 0.276 89 G HA3 0.533 4.493 3.960 0.001 0.000 0.276 89 G C -1.797 173.233 174.900 0.218 0.000 1.256 89 G CA -0.754 44.448 45.100 0.170 0.000 0.890 89 G HN 1.017 nan 8.290 nan 0.000 0.486 90 R N -0.772 119.725 120.500 -0.006 0.000 2.837 90 R HA 0.894 5.234 4.340 0.001 0.000 0.271 90 R C 0.020 176.328 176.300 0.013 0.000 0.993 90 R CA -0.401 55.629 56.100 -0.117 0.000 0.931 90 R CB 1.993 32.032 30.300 -0.434 0.000 1.206 90 R HN 1.717 nan 8.270 nan 0.000 0.474 91 G N -0.080 108.726 108.800 0.010 0.000 2.650 91 G HA2 0.543 4.503 3.960 0.001 0.000 0.310 91 G HA3 0.543 4.503 3.960 0.001 0.000 0.310 91 G C -1.338 173.571 174.900 0.015 0.000 1.270 91 G CA -0.256 44.886 45.100 0.070 0.000 0.810 91 G HN 0.830 nan 8.290 nan 0.000 0.493 92 T N -2.084 112.488 114.554 0.030 0.000 2.896 92 T HA 0.759 5.109 4.350 0.001 0.000 0.297 92 T C -0.997 173.708 174.700 0.009 0.000 1.108 92 T CA -0.627 61.480 62.100 0.012 0.000 1.004 92 T CB 1.989 70.863 68.868 0.010 0.000 1.159 92 T HN 0.567 nan 8.240 nan 0.000 0.499 93 I N 2.657 123.225 120.570 -0.003 0.000 2.468 93 I HA 0.328 4.499 4.170 0.001 0.000 0.284 93 I C -0.614 175.491 176.117 -0.021 0.000 1.038 93 I CA -1.017 60.273 61.300 -0.016 0.000 1.083 93 I CB 1.605 39.589 38.000 -0.027 0.000 1.223 93 I HN 0.662 nan 8.210 nan 0.000 0.443 94 L N 6.823 128.033 121.223 -0.022 0.000 3.678 94 L HA -0.256 4.085 4.340 0.001 0.000 0.425 94 L C 1.301 178.163 176.870 -0.014 0.000 1.240 94 L CA 1.335 56.161 54.840 -0.024 0.000 0.876 94 L CB -1.798 40.238 42.059 -0.038 0.000 1.766 94 L HN 1.080 nan 8.230 nan 0.000 0.917 95 G N -1.652 107.145 108.800 -0.005 0.000 2.212 95 G HA2 -0.363 3.598 3.960 0.001 0.000 0.266 95 G HA3 -0.363 3.598 3.960 0.001 0.000 0.266 95 G C 0.598 175.499 174.900 0.003 0.000 0.978 95 G CA 0.479 45.580 45.100 0.001 0.000 0.632 95 G HN 0.531 nan 8.290 nan 0.000 0.537 96 R N 1.131 121.631 120.500 -0.001 0.000 2.340 96 R HA 0.438 4.778 4.340 0.001 0.000 0.300 96 R C -2.599 173.706 176.300 0.008 0.000 1.069 96 R CA -1.744 54.360 56.100 0.006 0.000 0.984 96 R CB 0.734 31.034 30.300 0.001 0.000 1.003 96 R HN 0.117 nan 8.270 nan 0.000 0.459 97 P HA -0.017 nan 4.420 nan 0.000 0.271 97 P C -0.792 176.520 177.300 0.020 0.000 1.220 97 P CA -0.100 63.002 63.100 0.004 0.000 0.768 97 P CB 0.905 32.617 31.700 0.020 0.000 0.848 98 V N 0.948 120.851 119.914 -0.018 0.000 3.159 98 V HA 0.639 4.759 4.120 0.001 0.000 0.308 98 V C -1.154 174.909 176.094 -0.052 0.000 1.190 98 V CA -0.848 61.477 62.300 0.041 0.000 1.037 98 V CB 2.234 34.083 31.823 0.043 0.000 1.060 98 V HN 0.419 nan 8.190 nan 0.000 0.437 99 H N 0.484 119.656 119.070 0.169 0.000 2.622 99 H HA 0.966 5.523 4.556 0.001 0.000 0.363 99 H C -0.001 175.472 175.328 0.242 0.000 1.151 99 H CA 0.521 56.710 56.048 0.235 0.000 1.184 99 H CB 2.000 31.926 29.762 0.274 0.000 1.643 99 H HN 1.308 nan 8.280 nan 0.000 0.531 100 A N 1.255 124.263 122.820 0.314 0.000 2.606 100 A HA 0.866 5.187 4.320 0.001 0.000 0.293 100 A C -1.517 176.127 177.584 0.101 0.000 1.082 100 A CA -0.168 51.919 52.037 0.083 0.000 0.685 100 A CB 1.360 20.379 19.000 0.032 0.000 1.284 100 A HN 0.812 nan 8.150 nan 0.000 0.408 101 A N -0.093 122.658 122.820 -0.114 0.000 2.475 101 A HA 0.901 5.222 4.320 0.001 0.000 0.301 101 A C -0.531 177.032 177.584 -0.036 0.000 1.059 101 A CA -0.147 51.760 52.037 -0.216 0.000 0.710 101 A CB 1.665 20.206 19.000 -0.765 0.000 1.288 101 A HN 1.904 nan 8.150 nan 0.000 0.408 102 S N 0.823 116.545 115.700 0.037 0.000 2.750 102 S HA 0.343 4.814 4.470 0.001 0.000 0.276 102 S C -1.014 173.680 174.600 0.157 0.000 1.165 102 S CA -0.385 57.928 58.200 0.188 0.000 1.047 102 S CB 0.712 63.921 63.200 0.016 0.000 1.056 102 S HN 0.705 nan 8.310 nan 0.000 0.481 103 Q N 2.272 122.242 119.800 0.282 0.000 2.332 103 Q HA 0.161 4.501 4.340 0.001 0.000 0.263 103 Q C -0.789 175.302 176.000 0.150 0.000 0.979 103 Q CA -0.020 55.921 55.803 0.230 0.000 0.885 103 Q CB 0.666 29.576 28.738 0.286 0.000 1.218 103 Q HN 0.520 nan 8.270 nan 0.000 0.405 104 D N 2.446 122.914 120.400 0.113 0.000 2.467 104 D HA 0.035 4.675 4.640 0.001 0.000 0.220 104 D C -0.090 176.278 176.300 0.112 0.000 1.103 104 D CA -0.365 53.684 54.000 0.081 0.000 0.886 104 D CB 0.210 41.026 40.800 0.027 0.000 1.025 104 D HN 0.470 nan 8.370 nan 0.000 0.514 105 F N 2.581 122.536 119.950 0.008 0.000 2.333 105 F HA -0.170 4.358 4.527 0.001 0.000 0.300 105 F C 2.305 178.102 175.800 -0.006 0.000 1.083 105 F CA 1.728 59.735 58.000 0.011 0.000 1.395 105 F CB -0.064 38.943 39.000 0.011 0.000 1.056 105 F HN 0.396 nan 8.300 nan 0.000 0.529 106 T N -2.438 112.122 114.554 0.011 0.000 3.072 106 T HA 0.007 4.358 4.350 0.001 0.000 0.266 106 T C 0.679 175.300 174.700 -0.131 0.000 1.127 106 T CA 0.635 62.691 62.100 -0.072 0.000 1.107 106 T CB -0.855 67.996 68.868 -0.028 0.000 0.910 106 T HN -0.078 nan 8.240 nan 0.000 0.513 107 V N 2.945 122.781 119.914 -0.129 0.000 2.277 107 V HA 0.390 4.511 4.120 0.001 0.000 0.269 107 V C 0.329 176.327 176.094 -0.161 0.000 1.036 107 V CA -0.694 61.537 62.300 -0.116 0.000 0.821 107 V CB 0.083 31.867 31.823 -0.064 0.000 1.052 107 V HN 0.581 nan 8.190 nan 0.000 0.462 108 M N 3.421 122.909 119.600 -0.186 0.000 2.249 108 M HA -0.218 4.263 4.480 0.001 0.000 0.198 108 M C 1.245 177.385 176.300 -0.267 0.000 0.394 108 M CA 1.025 56.210 55.300 -0.191 0.000 0.427 108 M CB -1.401 31.118 32.600 -0.134 0.000 1.307 108 M HN 1.086 nan 8.290 nan 0.000 0.924 109 G N -0.678 107.807 108.800 -0.525 0.000 2.258 109 G HA2 -0.070 3.890 3.960 0.001 0.000 0.274 109 G HA3 -0.070 3.890 3.960 0.001 0.000 0.274 109 G C 1.003 175.673 174.900 -0.385 0.000 1.021 109 G CA 0.944 45.495 45.100 -0.915 0.000 0.798 109 G HN 1.961 nan 8.290 nan 0.000 0.507 110 G N -1.319 107.368 108.800 -0.189 0.000 2.180 110 G HA2 0.004 3.964 3.960 0.001 0.000 0.263 110 G HA3 0.004 3.964 3.960 0.001 0.000 0.263 110 G C 0.880 175.836 174.900 0.093 0.000 0.989 110 G CA 1.387 46.524 45.100 0.061 0.000 0.692 110 G HN 2.442 nan 8.290 nan 0.000 0.526 111 S N -0.471 115.242 115.700 0.021 0.000 2.552 111 S HA 0.482 4.952 4.470 0.001 0.000 0.289 111 S C 0.801 175.427 174.600 0.043 0.000 1.304 111 S CA 0.348 58.572 58.200 0.040 0.000 1.063 111 S CB 1.719 64.910 63.200 -0.016 0.000 0.848 111 S HN 1.900 nan 8.310 nan 0.000 0.499 112 A N 4.005 126.860 122.820 0.058 0.000 2.655 112 A HA 0.537 4.858 4.320 0.001 0.000 0.297 112 A C 1.020 178.555 177.584 -0.081 0.000 1.461 112 A CA -0.186 51.870 52.037 0.032 0.000 1.146 112 A CB -1.126 17.918 19.000 0.073 0.000 1.108 112 A HN 1.208 nan 8.150 nan 0.000 0.550 113 G N 0.680 109.462 108.800 -0.030 0.000 2.606 113 G HA2 0.294 4.254 3.960 0.001 0.000 0.252 113 G HA3 0.294 4.254 3.960 0.001 0.000 0.252 113 G C 0.742 175.626 174.900 -0.026 0.000 1.206 113 G CA 0.231 45.307 45.100 -0.039 0.000 0.861 113 G HN 0.820 nan 8.290 nan 0.000 0.561 114 E N -0.029 120.160 120.200 -0.019 0.000 2.049 114 E HA -0.194 4.156 4.350 0.001 0.000 0.198 114 E C 2.234 178.846 176.600 0.019 0.000 1.007 114 E CA 1.906 58.301 56.400 -0.008 0.000 0.809 114 E CB -0.209 29.495 29.700 0.007 0.000 0.749 114 E HN 0.472 nan 8.360 nan 0.000 0.450 115 T N 0.725 115.305 114.554 0.043 0.000 2.788 115 T HA -0.204 4.147 4.350 0.001 0.000 0.268 115 T C 1.799 176.528 174.700 0.047 0.000 1.044 115 T CA 1.436 63.567 62.100 0.051 0.000 1.139 115 T CB -0.229 68.686 68.868 0.079 0.000 0.867 115 T HN 0.316 nan 8.240 nan 0.000 0.454 116 Q N 0.702 120.532 119.800 0.050 0.000 2.061 116 Q HA -0.134 4.206 4.340 0.001 0.000 0.204 116 Q C 2.355 178.395 176.000 0.066 0.000 0.984 116 Q CA 1.727 57.565 55.803 0.058 0.000 0.846 116 Q CB -0.205 28.576 28.738 0.070 0.000 0.902 116 Q HN 0.382 nan 8.270 nan 0.000 0.421 117 S N -0.214 115.530 115.700 0.073 0.000 2.402 117 S HA -0.097 4.373 4.470 0.001 0.000 0.229 117 S C 1.840 176.472 174.600 0.055 0.000 1.021 117 S CA 1.431 59.688 58.200 0.097 0.000 0.974 117 S CB -0.209 63.047 63.200 0.094 0.000 0.800 117 S HN 0.486 nan 8.310 nan 0.000 0.484 118 T N 1.974 116.548 114.554 0.034 0.000 2.857 118 T HA 0.003 4.354 4.350 0.001 0.000 0.266 118 T C 1.758 176.464 174.700 0.010 0.000 1.048 118 T CA 0.929 63.040 62.100 0.019 0.000 1.139 118 T CB -0.083 68.795 68.868 0.017 0.000 0.874 118 T HN 0.379 nan 8.240 nan 0.000 0.455 119 K N 0.571 120.980 120.400 0.016 0.000 2.057 119 K HA -0.027 4.294 4.320 0.001 0.000 0.207 119 K C 2.291 178.879 176.600 -0.019 0.000 1.049 119 K CA 0.887 57.178 56.287 0.008 0.000 0.931 119 K CB -0.322 32.189 32.500 0.019 0.000 0.714 119 K HN 0.142 nan 8.250 nan 0.000 0.440 120 V N 0.901 120.795 119.914 -0.032 0.000 2.307 120 V HA -0.212 3.909 4.120 0.001 0.000 0.245 120 V C 2.249 178.275 176.094 -0.114 0.000 1.045 120 V CA 1.445 63.689 62.300 -0.092 0.000 1.024 120 V CB -0.272 31.511 31.823 -0.066 0.000 0.651 120 V HN 0.079 nan 8.190 nan 0.000 0.449 121 V N -0.040 119.841 119.914 -0.054 0.000 2.343 121 V HA -0.271 3.849 4.120 0.001 0.000 0.247 121 V C 2.418 178.454 176.094 -0.097 0.000 1.051 121 V CA 2.093 64.353 62.300 -0.067 0.000 1.036 121 V CB -0.659 31.163 31.823 -0.002 0.000 0.654 121 V HN 0.630 nan 8.190 nan 0.000 0.451 122 E N -0.293 119.868 120.200 -0.065 0.000 2.110 122 E HA -0.179 4.172 4.350 0.001 0.000 0.193 122 E C 2.259 178.801 176.600 -0.096 0.000 0.988 122 E CA 1.726 58.090 56.400 -0.060 0.000 0.804 122 E CB -0.251 29.434 29.700 -0.025 0.000 0.745 122 E HN 0.582 nan 8.360 nan 0.000 0.458 123 T N 0.954 115.447 114.554 -0.102 0.000 2.821 123 T HA -0.102 4.248 4.350 0.001 0.000 0.267 123 T C 1.871 176.395 174.700 -0.292 0.000 1.046 123 T CA 0.999 63.044 62.100 -0.091 0.000 1.139 123 T CB -0.069 68.824 68.868 0.042 0.000 0.871 123 T HN 0.119 nan 8.240 nan 0.000 0.454 124 M N 0.744 120.060 119.600 -0.472 0.000 2.132 124 M HA -0.036 4.445 4.480 0.001 0.000 0.263 124 M C 2.396 178.494 176.300 -0.337 0.000 1.065 124 M CA 1.208 56.121 55.300 -0.645 0.000 1.122 124 M CB -0.258 31.946 32.600 -0.659 0.000 1.365 124 M HN 0.046 nan 8.290 nan 0.000 0.411 125 E N 0.347 120.413 120.200 -0.223 0.000 2.153 125 E HA -0.173 4.177 4.350 0.001 0.000 0.194 125 E C 2.101 178.599 176.600 -0.170 0.000 0.988 125 E CA 1.028 57.344 56.400 -0.140 0.000 0.811 125 E CB -0.234 29.418 29.700 -0.080 0.000 0.746 125 E HN 0.541 nan 8.360 nan 0.000 0.466 126 Q N -0.049 119.599 119.800 -0.253 0.000 2.172 126 Q HA 0.037 4.378 4.340 0.001 0.000 0.200 126 Q C 2.087 177.774 176.000 -0.521 0.000 0.964 126 Q CA 1.084 56.689 55.803 -0.330 0.000 0.855 126 Q CB -0.413 28.122 28.738 -0.339 0.000 0.918 126 Q HN 0.236 nan 8.270 nan 0.000 0.444 127 A N 0.966 123.418 122.820 -0.614 0.000 1.898 127 A HA -0.139 4.182 4.320 0.001 0.000 0.216 127 A C 2.135 179.661 177.584 -0.096 0.000 1.181 127 A CA 1.260 53.098 52.037 -0.332 0.000 0.620 127 A CB -0.632 18.320 19.000 -0.078 0.000 0.819 127 A HN 0.320 nan 8.150 nan 0.000 0.442 128 L N -0.653 120.509 121.223 -0.102 0.000 2.017 128 L HA -0.120 4.221 4.340 0.001 0.000 0.208 128 L C 2.257 179.115 176.870 -0.020 0.000 1.073 128 L CA 2.142 56.962 54.840 -0.033 0.000 0.745 128 L CB -0.665 41.370 42.059 -0.041 0.000 0.894 128 L HN 0.342 nan 8.230 nan 0.000 0.432 129 L N -0.441 120.754 121.223 -0.047 0.000 2.042 129 L HA -0.179 4.162 4.340 0.001 0.000 0.210 129 L C 2.309 179.182 176.870 0.005 0.000 1.076 129 L CA 2.509 57.336 54.840 -0.021 0.000 0.749 129 L CB -1.006 41.032 42.059 -0.033 0.000 0.893 129 L HN 0.647 nan 8.230 nan 0.000 0.432 130 T N -3.825 110.735 114.554 0.011 0.000 3.086 130 T HA 0.331 4.682 4.350 0.001 0.000 0.250 130 T C 1.252 176.000 174.700 0.080 0.000 1.074 130 T CA 0.178 62.316 62.100 0.063 0.000 0.988 130 T CB -0.433 68.513 68.868 0.130 0.000 0.988 130 T HN 0.636 nan 8.240 nan 0.000 0.530 131 G N 2.173 111.014 108.800 0.069 0.000 2.295 131 G HA2 -0.193 3.767 3.960 0.001 0.000 0.287 131 G HA3 -0.193 3.767 3.960 0.001 0.000 0.287 131 G C 0.092 175.064 174.900 0.120 0.000 1.055 131 G CA 0.425 45.579 45.100 0.090 0.000 0.922 131 G HN 1.213 nan 8.290 nan 0.000 0.503 132 T N -2.619 112.026 114.554 0.152 0.000 2.932 132 T HA 0.781 5.131 4.350 0.001 0.000 0.289 132 T C -2.672 172.150 174.700 0.204 0.000 1.039 132 T CA -2.115 60.098 62.100 0.188 0.000 1.024 132 T CB 3.403 72.438 68.868 0.278 0.000 1.090 132 T HN -0.007 nan 8.240 nan 0.000 0.496 133 P HA 0.353 nan 4.420 nan 0.000 0.270 133 P C -1.365 176.100 177.300 0.276 0.000 1.223 133 P CA -0.417 62.782 63.100 0.164 0.000 0.785 133 P CB 0.232 31.976 31.700 0.073 0.000 0.923 134 F N 2.180 122.190 119.950 0.100 0.000 2.518 134 F HA 0.575 5.102 4.527 0.001 0.000 0.323 134 F C -1.685 174.174 175.800 0.098 0.000 1.129 134 F CA -0.840 57.229 58.000 0.115 0.000 0.920 134 F CB 0.925 39.992 39.000 0.113 0.000 1.160 134 F HN -0.003 nan 8.300 nan 0.000 0.440 135 L N 7.170 127.981 121.223 -0.686 0.000 2.365 135 L HA 0.520 4.860 4.340 0.001 0.000 0.273 135 L C -1.346 175.072 176.870 -0.753 0.000 1.000 135 L CA -0.534 53.956 54.840 -0.584 0.000 0.819 135 L CB 2.068 43.929 42.059 -0.330 0.000 1.284 135 L HN 0.672 nan 8.230 nan 0.000 0.418 136 F N 2.607 122.123 119.950 -0.723 0.000 2.562 136 F HA 0.533 5.061 4.527 0.001 0.000 0.319 136 F C -1.200 174.342 175.800 -0.430 0.000 1.154 136 F CA -0.791 56.862 58.000 -0.579 0.000 0.931 136 F CB 1.279 39.924 39.000 -0.592 0.000 1.198 136 F HN 0.241 nan 8.300 nan 0.000 0.444 137 F N 5.774 125.856 119.950 0.220 0.000 2.411 137 F HA 0.320 4.847 4.527 0.001 0.000 0.355 137 F C -0.714 175.054 175.800 -0.053 0.000 1.117 137 F CA -0.373 57.668 58.000 0.069 0.000 1.139 137 F CB 0.606 39.634 39.000 0.046 0.000 1.120 137 F HN 0.306 nan 8.300 nan 0.000 0.493 138 Y N 1.969 122.242 120.300 -0.044 0.000 2.342 138 Y HA 0.400 4.950 4.550 0.001 0.000 0.334 138 Y C -0.068 175.828 175.900 -0.007 0.000 1.067 138 Y CA -0.639 57.360 58.100 -0.167 0.000 1.128 138 Y CB 1.269 39.521 38.460 -0.346 0.000 1.200 138 Y HN 0.402 nan 8.280 nan 0.000 0.464 139 D N 1.969 122.484 120.400 0.192 0.000 2.474 139 D HA 0.205 4.846 4.640 0.001 0.000 0.234 139 D C -1.425 175.037 176.300 0.269 0.000 1.323 139 D CA -0.039 54.052 54.000 0.152 0.000 0.915 139 D CB 0.855 41.743 40.800 0.145 0.000 1.487 139 D HN 0.428 nan 8.370 nan 0.000 0.524 140 S N 0.521 116.365 115.700 0.241 0.000 2.547 140 S HA 0.619 5.089 4.470 0.001 0.000 0.270 140 S C 0.703 175.457 174.600 0.257 0.000 1.150 140 S CA -0.122 58.263 58.200 0.308 0.000 0.850 140 S CB 1.297 64.655 63.200 0.263 0.000 1.118 140 S HN 0.205 nan 8.310 nan 0.000 0.461 141 G N 1.008 109.968 108.800 0.266 0.000 3.088 141 G HA2 0.507 4.468 3.960 0.001 0.000 0.212 141 G HA3 0.507 4.468 3.960 0.001 0.000 0.212 141 G C 0.985 175.981 174.900 0.160 0.000 1.173 141 G CA 0.412 45.634 45.100 0.204 0.000 0.779 141 G HN 1.681 nan 8.290 nan 0.000 0.540 142 G N -0.934 107.983 108.800 0.194 0.000 2.526 142 G HA2 0.378 4.339 3.960 0.001 0.000 0.250 142 G HA3 0.378 4.339 3.960 0.001 0.000 0.250 142 G C 0.209 175.216 174.900 0.178 0.000 1.289 142 G CA -0.345 44.909 45.100 0.257 0.000 0.947 142 G HN 1.333 nan 8.290 nan 0.000 0.517 143 A N -0.058 122.815 122.820 0.088 0.000 2.540 143 A HA 0.511 4.831 4.320 0.001 0.000 0.239 143 A C 1.086 178.613 177.584 -0.095 0.000 1.061 143 A CA 1.159 53.048 52.037 -0.247 0.000 0.758 143 A CB 0.047 18.843 19.000 -0.340 0.000 0.991 143 A HN 1.141 nan 8.150 nan 0.000 0.502 144 R N 2.806 123.237 120.500 -0.114 0.000 2.402 144 R HA 0.133 4.474 4.340 0.001 0.000 0.331 144 R C 0.735 177.004 176.300 -0.052 0.000 1.040 144 R CA -0.062 56.000 56.100 -0.064 0.000 0.980 144 R CB -0.305 29.956 30.300 -0.066 0.000 0.967 144 R HN 0.790 nan 8.270 nan 0.000 0.440 145 I N 3.374 123.919 120.570 -0.042 0.000 2.248 145 I HA -0.363 3.808 4.170 0.001 0.000 0.248 145 I C 1.731 177.815 176.117 -0.054 0.000 1.107 145 I CA 1.397 62.667 61.300 -0.050 0.000 1.373 145 I CB -0.129 37.832 38.000 -0.065 0.000 1.055 145 I HN 0.661 nan 8.210 nan 0.000 0.418 146 Q N 0.692 120.474 119.800 -0.030 0.000 2.291 146 Q HA -0.179 4.162 4.340 0.001 0.000 0.206 146 Q C 1.553 177.651 176.000 0.164 0.000 0.976 146 Q CA 1.156 56.996 55.803 0.061 0.000 0.875 146 Q CB -0.121 28.674 28.738 0.095 0.000 0.927 146 Q HN 0.541 nan 8.270 nan 0.000 0.450 147 E N -0.688 119.556 120.200 0.074 0.000 2.474 147 E HA 0.150 4.501 4.350 0.001 0.000 0.195 147 E C 1.034 177.670 176.600 0.060 0.000 1.039 147 E CA 0.103 56.547 56.400 0.073 0.000 0.881 147 E CB 0.247 29.962 29.700 0.025 0.000 0.970 147 E HN 0.376 nan 8.360 nan 0.000 0.486 148 G N 2.807 111.641 108.800 0.057 0.000 2.698 148 G HA2 -0.428 3.532 3.960 0.001 0.000 0.337 148 G HA3 -0.428 3.532 3.960 0.001 0.000 0.337 148 G C 1.105 176.018 174.900 0.022 0.000 1.286 148 G CA 0.898 46.026 45.100 0.047 0.000 1.000 148 G HN 0.438 nan 8.290 nan 0.000 0.547 149 I N -1.429 119.160 120.570 0.032 0.000 2.830 149 I HA 0.092 4.262 4.170 0.001 0.000 0.263 149 I C 1.776 177.896 176.117 0.006 0.000 1.230 149 I CA 2.100 63.413 61.300 0.022 0.000 1.480 149 I CB -0.380 37.637 38.000 0.030 0.000 1.095 149 I HN 0.233 nan 8.210 nan 0.000 0.455 150 D N 2.074 122.478 120.400 0.006 0.000 2.117 150 D HA -0.153 4.488 4.640 0.001 0.000 0.197 150 D C 2.559 178.839 176.300 -0.035 0.000 0.987 150 D CA 2.073 56.071 54.000 -0.003 0.000 0.829 150 D CB -0.017 40.790 40.800 0.012 0.000 0.961 150 D HN 0.596 nan 8.370 nan 0.000 0.460 151 S N 0.157 115.819 115.700 -0.063 0.000 2.436 151 S HA -0.002 4.468 4.470 0.001 0.000 0.228 151 S C 2.115 176.583 174.600 -0.221 0.000 1.014 151 S CA 0.032 58.140 58.200 -0.153 0.000 0.950 151 S CB -0.407 62.686 63.200 -0.178 0.000 0.784 151 S HN 0.217 nan 8.310 nan 0.000 0.504 152 L N 1.272 122.428 121.223 -0.112 0.000 2.093 152 L HA -0.045 4.296 4.340 0.001 0.000 0.208 152 L C 2.757 179.621 176.870 -0.009 0.000 1.085 152 L CA 1.529 56.342 54.840 -0.045 0.000 0.755 152 L CB -0.571 41.503 42.059 0.026 0.000 0.904 152 L HN 0.490 nan 8.230 nan 0.000 0.435 153 S N -0.402 115.287 115.700 -0.018 0.000 2.383 153 S HA -0.119 4.351 4.470 0.001 0.000 0.227 153 S C 1.920 176.510 174.600 -0.016 0.000 1.026 153 S CA 1.203 59.400 58.200 -0.005 0.000 0.981 153 S CB -0.366 62.829 63.200 -0.007 0.000 0.818 153 S HN 0.643 nan 8.310 nan 0.000 0.472 154 G N -0.418 108.356 108.800 -0.043 0.000 2.440 154 G HA2 -0.191 3.770 3.960 0.001 0.000 0.218 154 G HA3 -0.191 3.770 3.960 0.001 0.000 0.218 154 G C 1.288 176.205 174.900 0.028 0.000 1.154 154 G CA 0.842 45.929 45.100 -0.022 0.000 0.767 154 G HN 0.655 nan 8.290 nan 0.000 0.552 155 Y N 0.818 120.999 120.300 -0.198 0.000 2.242 155 Y HA -0.088 4.462 4.550 0.001 0.000 0.291 155 Y C 3.134 178.573 175.900 -0.769 0.000 1.137 155 Y CA 0.091 57.873 58.100 -0.531 0.000 1.181 155 Y CB -0.054 38.124 38.460 -0.469 0.000 0.989 155 Y HN 0.314 nan 8.280 nan 0.000 0.527 156 G N 0.459 109.175 108.800 -0.141 0.000 2.418 156 G HA2 -0.257 3.703 3.960 0.001 0.000 0.217 156 G HA3 -0.257 3.703 3.960 0.001 0.000 0.217 156 G C 1.543 176.469 174.900 0.044 0.000 1.158 156 G CA 0.821 45.920 45.100 -0.000 0.000 0.771 156 G HN 0.306 nan 8.290 nan 0.000 0.545 157 K N -0.569 119.840 120.400 0.014 0.000 2.097 157 K HA 0.074 4.394 4.320 0.001 0.000 0.205 157 K C 2.450 179.121 176.600 0.117 0.000 1.050 157 K CA 1.103 57.428 56.287 0.064 0.000 0.938 157 K CB -0.209 32.305 32.500 0.022 0.000 0.718 157 K HN 0.343 nan 8.250 nan 0.000 0.442 158 M N 0.204 119.821 119.600 0.029 0.000 2.099 158 M HA -0.148 4.333 4.480 0.001 0.000 0.262 158 M C 1.441 177.870 176.300 0.215 0.000 1.067 158 M CA 1.660 57.012 55.300 0.086 0.000 1.124 158 M CB 0.004 32.637 32.600 0.054 0.000 1.353 158 M HN -0.023 nan 8.290 nan 0.000 0.410 159 F N -0.101 119.961 119.950 0.187 0.000 2.126 159 F HA -0.186 4.342 4.527 0.001 0.000 0.299 159 F C 2.212 178.094 175.800 0.136 0.000 1.096 159 F CA 1.113 59.197 58.000 0.140 0.000 1.255 159 F CB -1.665 37.404 39.000 0.116 0.000 0.997 159 F HN 0.197 nan 8.300 nan 0.000 0.479 160 F N 0.790 120.872 119.950 0.220 0.000 2.134 160 F HA -0.112 4.415 4.527 0.001 0.000 0.299 160 F C 2.339 178.194 175.800 0.092 0.000 1.097 160 F CA 1.387 59.462 58.000 0.126 0.000 1.264 160 F CB -0.509 38.541 39.000 0.084 0.000 1.001 160 F HN -0.072 nan 8.300 nan 0.000 0.479 161 A N 0.285 123.253 122.820 0.248 0.000 1.902 161 A HA -0.230 4.091 4.320 0.001 0.000 0.217 161 A C 1.942 179.549 177.584 0.037 0.000 1.181 161 A CA 2.067 54.173 52.037 0.115 0.000 0.623 161 A CB -1.203 17.856 19.000 0.098 0.000 0.818 161 A HN 0.582 nan 8.150 nan 0.000 0.443 162 N N -0.277 118.490 118.700 0.111 0.000 2.104 162 N HA -0.136 4.604 4.740 0.001 0.000 0.190 162 N C 1.476 177.008 175.510 0.037 0.000 1.024 162 N CA 1.649 54.774 53.050 0.125 0.000 0.853 162 N CB -0.235 38.376 38.487 0.207 0.000 1.008 162 N HN 0.267 nan 8.380 nan 0.000 0.424 163 V N 1.034 120.924 119.914 -0.040 0.000 2.453 163 V HA -0.181 3.939 4.120 0.001 0.000 0.247 163 V C 2.196 178.186 176.094 -0.173 0.000 1.048 163 V CA 1.323 63.549 62.300 -0.123 0.000 1.049 163 V CB -0.433 31.270 31.823 -0.200 0.000 0.672 163 V HN 0.305 nan 8.190 nan 0.000 0.457 164 K N -0.198 120.057 120.400 -0.243 0.000 2.097 164 K HA -0.175 4.145 4.320 0.001 0.000 0.206 164 K C 1.946 178.500 176.600 -0.077 0.000 1.049 164 K CA 1.465 57.631 56.287 -0.201 0.000 0.933 164 K CB -0.094 32.302 32.500 -0.174 0.000 0.717 164 K HN 0.308 nan 8.250 nan 0.000 0.442 165 L N 0.796 122.001 121.223 -0.030 0.000 2.341 165 L HA 0.054 4.394 4.340 0.001 0.000 0.214 165 L C 0.985 177.901 176.870 0.077 0.000 1.115 165 L CA 0.609 55.468 54.840 0.032 0.000 0.820 165 L CB -0.256 41.837 42.059 0.056 0.000 0.944 165 L HN -0.024 nan 8.230 nan 0.000 0.452 166 S N 0.103 115.830 115.700 0.045 0.000 2.596 166 S HA 0.270 4.741 4.470 0.001 0.000 0.298 166 S C 1.409 176.019 174.600 0.017 0.000 1.255 166 S CA 0.649 58.886 58.200 0.061 0.000 1.083 166 S CB -0.267 62.934 63.200 0.001 0.000 0.837 166 S HN 0.706 nan 8.310 nan 0.000 0.499 167 G N 2.925 111.762 108.800 0.063 0.000 2.184 167 G HA2 -0.244 3.716 3.960 0.001 0.000 0.264 167 G HA3 -0.244 3.716 3.960 0.001 0.000 0.264 167 G C 0.584 175.281 174.900 -0.338 0.000 0.975 167 G CA 0.389 45.334 45.100 -0.260 0.000 0.642 167 G HN 0.807 nan 8.290 nan 0.000 0.536 168 V N -0.442 119.485 119.914 0.021 0.000 2.743 168 V HA 0.403 4.523 4.120 0.001 0.000 0.237 168 V C 1.341 177.632 176.094 0.329 0.000 1.113 168 V CA 1.445 63.782 62.300 0.063 0.000 1.141 168 V CB 0.707 32.559 31.823 0.048 0.000 0.873 168 V HN 1.101 nan 8.190 nan 0.000 0.486 169 V N -2.189 117.964 119.914 0.397 0.000 2.735 169 V HA 0.677 4.797 4.120 0.001 0.000 0.310 169 V C -3.111 173.164 176.094 0.302 0.000 1.061 169 V CA -2.882 59.629 62.300 0.352 0.000 0.913 169 V CB 1.491 33.440 31.823 0.210 0.000 1.005 169 V HN 0.142 nan 8.190 nan 0.000 0.428 170 P HA 0.301 nan 4.420 nan 0.000 0.268 170 P C -0.979 176.417 177.300 0.160 0.000 1.204 170 P CA 0.218 63.275 63.100 -0.072 0.000 0.768 170 P CB 0.252 31.822 31.700 -0.216 0.000 0.842 171 Q N 2.242 122.180 119.800 0.228 0.000 2.325 171 Q HA 0.575 4.915 4.340 0.001 0.000 0.270 171 Q C -0.697 175.413 176.000 0.183 0.000 1.020 171 Q CA -0.449 55.508 55.803 0.256 0.000 0.785 171 Q CB 1.849 30.781 28.738 0.323 0.000 1.259 171 Q HN 0.412 nan 8.270 nan 0.000 0.452 172 I N 1.819 122.446 120.570 0.094 0.000 2.418 172 I HA 0.569 4.739 4.170 0.001 0.000 0.287 172 I C -0.557 175.558 176.117 -0.004 0.000 1.008 172 I CA -0.724 60.606 61.300 0.051 0.000 1.104 172 I CB 1.811 39.785 38.000 -0.044 0.000 1.264 172 I HN 0.577 nan 8.210 nan 0.000 0.438 173 A N 7.454 130.308 122.820 0.056 0.000 2.317 173 A HA 0.864 5.184 4.320 0.001 0.000 0.327 173 A C -0.736 176.842 177.584 -0.009 0.000 1.178 173 A CA -0.378 51.720 52.037 0.102 0.000 0.817 173 A CB 0.573 19.619 19.000 0.077 0.000 1.189 173 A HN 0.626 nan 8.150 nan 0.000 0.489 174 I N 3.705 124.252 120.570 -0.039 0.000 2.411 174 I HA 0.260 4.430 4.170 0.001 0.000 0.284 174 I C -0.644 175.509 176.117 0.061 0.000 1.012 174 I CA -0.136 61.112 61.300 -0.087 0.000 1.119 174 I CB 1.576 39.359 38.000 -0.363 0.000 1.261 174 I HN 0.411 nan 8.210 nan 0.000 0.448 175 I N 5.589 126.163 120.570 0.007 0.000 2.301 175 I HA 0.363 4.534 4.170 0.001 0.000 0.292 175 I C 0.969 177.101 176.117 0.025 0.000 1.046 175 I CA 0.018 61.312 61.300 -0.010 0.000 1.282 175 I CB 0.873 38.791 38.000 -0.137 0.000 1.409 175 I HN 0.700 nan 8.210 nan 0.000 0.484 176 A N 4.611 127.476 122.820 0.075 0.000 2.606 176 A HA 0.729 5.050 4.320 0.001 0.000 0.290 176 A C 0.722 178.297 177.584 -0.016 0.000 1.174 176 A CA 0.223 52.295 52.037 0.059 0.000 0.958 176 A CB 0.239 19.331 19.000 0.155 0.000 1.194 176 A HN 0.862 nan 8.150 nan 0.000 0.526 177 G N -0.702 108.065 108.800 -0.054 0.000 2.450 177 G HA2 0.487 4.448 3.960 0.001 0.000 0.273 177 G HA3 0.487 4.448 3.960 0.001 0.000 0.273 177 G C -3.539 171.294 174.900 -0.112 0.000 1.221 177 G CA -0.601 44.418 45.100 -0.134 0.000 0.900 177 G HN -0.047 nan 8.290 nan 0.000 0.483 178 P HA 0.442 nan 4.420 nan 0.000 0.272 178 P C -0.446 176.807 177.300 -0.079 0.000 1.240 178 P CA -0.127 62.928 63.100 -0.075 0.000 0.791 178 P CB 1.350 33.037 31.700 -0.022 0.000 0.978 179 C N 2.164 121.351 119.300 -0.188 0.000 3.319 179 C HA 0.632 5.092 4.460 0.001 0.000 0.258 179 C C -0.382 174.390 174.990 -0.363 0.000 1.068 179 C CA -0.230 58.669 59.018 -0.199 0.000 1.193 179 C CB -1.443 26.139 27.740 -0.263 0.000 1.770 179 C HN 0.623 nan 8.230 nan 0.000 0.604 180 A N 2.957 125.628 122.820 -0.248 0.000 2.310 180 A HA 0.782 5.102 4.320 0.001 0.000 0.300 180 A C 0.935 178.508 177.584 -0.017 0.000 1.269 180 A CA 1.089 52.968 52.037 -0.263 0.000 0.909 180 A CB -0.262 18.753 19.000 0.025 0.000 1.144 180 A HN 2.512 nan 8.150 nan 0.000 0.540 181 G N 1.772 110.563 108.800 -0.015 0.000 2.500 181 G HA2 0.200 4.161 3.960 0.001 0.000 0.209 181 G HA3 0.200 4.161 3.960 0.001 0.000 0.209 181 G C 0.960 175.826 174.900 -0.057 0.000 1.283 181 G CA -0.012 45.128 45.100 0.067 0.000 0.960 181 G HN 1.657 nan 8.290 nan 0.000 0.528 182 G N 0.216 109.040 108.800 0.040 0.000 2.537 182 G HA2 0.252 4.213 3.960 0.001 0.000 0.220 182 G HA3 0.252 4.213 3.960 0.001 0.000 0.220 182 G C 1.992 176.904 174.900 0.020 0.000 1.111 182 G CA 2.592 47.704 45.100 0.020 0.000 0.748 182 G HN 2.001 nan 8.290 nan 0.000 0.564 183 A N 0.911 123.721 122.820 -0.017 0.000 1.978 183 A HA -0.029 4.291 4.320 0.001 0.000 0.220 183 A C 2.628 180.088 177.584 -0.205 0.000 1.170 183 A CA 2.058 53.962 52.037 -0.221 0.000 0.636 183 A CB -0.492 18.512 19.000 0.008 0.000 0.810 183 A HN 0.322 nan 8.150 nan 0.000 0.448 184 S N -1.289 114.223 115.700 -0.313 0.000 2.465 184 S HA -0.166 4.305 4.470 0.001 0.000 0.241 184 S C 1.479 175.837 174.600 -0.403 0.000 1.000 184 S CA 1.207 59.149 58.200 -0.430 0.000 0.964 184 S CB -0.623 62.287 63.200 -0.483 0.000 0.763 184 S HN 0.763 nan 8.310 nan 0.000 0.512 185 Y N 0.994 121.116 120.300 -0.296 0.000 2.439 185 Y HA -0.069 4.481 4.550 0.001 0.000 0.292 185 Y C 2.874 178.539 175.900 -0.391 0.000 1.130 185 Y CA 0.618 58.434 58.100 -0.474 0.000 1.254 185 Y CB -0.143 37.789 38.460 -0.879 0.000 1.000 185 Y HN 0.300 nan 8.280 nan 0.000 0.554 186 S N 0.401 116.119 115.700 0.031 0.000 2.345 186 S HA -0.087 4.383 4.470 0.001 0.000 0.220 186 S C -0.622 173.997 174.600 0.031 0.000 1.031 186 S CA 1.150 59.492 58.200 0.236 0.000 0.996 186 S CB -1.050 62.418 63.200 0.446 0.000 0.882 186 S HN 0.149 nan 8.310 nan 0.000 0.445 187 P HA -0.010 nan 4.420 nan 0.000 0.216 187 P C 1.391 178.607 177.300 -0.140 0.000 1.150 187 P CA 1.587 64.488 63.100 -0.332 0.000 0.837 187 P CB -0.226 31.086 31.700 -0.647 0.000 0.786 188 A N -0.985 121.756 122.820 -0.132 0.000 2.019 188 A HA -0.133 4.188 4.320 0.001 0.000 0.219 188 A C 1.985 179.552 177.584 -0.029 0.000 1.164 188 A CA 1.344 53.341 52.037 -0.067 0.000 0.644 188 A CB -1.469 17.513 19.000 -0.029 0.000 0.805 188 A HN 0.174 nan 8.150 nan 0.000 0.449 189 L N 0.136 121.352 121.223 -0.012 0.000 2.567 189 L HA 0.052 4.393 4.340 0.001 0.000 0.225 189 L C 1.587 178.492 176.870 0.059 0.000 1.119 189 L CA 0.460 55.309 54.840 0.015 0.000 0.871 189 L CB -0.439 41.637 42.059 0.028 0.000 1.036 189 L HN 0.525 nan 8.230 nan 0.000 0.459 190 T N -4.483 110.115 114.554 0.073 0.000 2.771 190 T HA 0.090 4.441 4.350 0.001 0.000 0.290 190 T C 0.782 175.475 174.700 -0.010 0.000 1.005 190 T CA -0.524 61.639 62.100 0.105 0.000 0.944 190 T CB 1.081 70.041 68.868 0.153 0.000 1.147 190 T HN -0.052 nan 8.240 nan 0.000 0.534 191 D N -0.569 119.791 120.400 -0.066 0.000 2.216 191 D HA 0.177 4.817 4.640 0.001 0.000 0.208 191 D C -0.144 175.509 176.300 -1.079 0.000 0.960 191 D CA 1.041 54.776 54.000 -0.441 0.000 0.861 191 D CB 0.096 40.702 40.800 -0.325 0.000 0.985 191 D HN 0.477 nan 8.370 nan 0.000 0.493 192 F N 0.071 119.819 119.950 -0.336 0.000 2.569 192 F HA 0.458 4.986 4.527 0.001 0.000 0.312 192 F C -0.214 175.518 175.800 -0.115 0.000 1.109 192 F CA -0.901 56.782 58.000 -0.527 0.000 0.919 192 F CB 2.123 40.968 39.000 -0.258 0.000 1.211 192 F HN -0.368 nan 8.300 nan 0.000 0.446 193 I N 4.281 125.037 120.570 0.310 0.000 2.389 193 I HA 0.445 4.615 4.170 0.001 0.000 0.288 193 I C -0.819 175.454 176.117 0.260 0.000 0.999 193 I CA -0.533 60.889 61.300 0.203 0.000 1.129 193 I CB 1.719 39.770 38.000 0.085 0.000 1.288 193 I HN 0.458 nan 8.210 nan 0.000 0.444 194 I N 6.800 127.462 120.570 0.154 0.000 2.362 194 I HA 0.409 4.579 4.170 0.001 0.000 0.289 194 I C -0.310 175.839 176.117 0.053 0.000 0.994 194 I CA -0.255 61.137 61.300 0.154 0.000 1.158 194 I CB 1.428 39.459 38.000 0.051 0.000 1.315 194 I HN 0.441 nan 8.210 nan 0.000 0.451 195 M N 5.466 125.095 119.600 0.049 0.000 2.311 195 M HA 0.348 4.829 4.480 0.001 0.000 0.325 195 M C 0.063 176.364 176.300 0.003 0.000 1.061 195 M CA -0.642 54.654 55.300 -0.007 0.000 0.957 195 M CB 2.323 34.900 32.600 -0.038 0.000 1.646 195 M HN 0.625 nan 8.290 nan 0.000 0.434 196 T N -0.652 113.894 114.554 -0.014 0.000 2.874 196 T HA 0.358 4.708 4.350 0.001 0.000 0.281 196 T C 0.701 175.370 174.700 -0.052 0.000 0.994 196 T CA -0.753 61.339 62.100 -0.014 0.000 1.015 196 T CB 1.118 69.983 68.868 -0.004 0.000 1.028 196 T HN 0.687 nan 8.240 nan 0.000 0.523 197 K N 0.088 120.462 120.400 -0.042 0.000 2.555 197 K HA 0.027 4.348 4.320 0.001 0.000 0.193 197 K C 1.235 177.777 176.600 -0.097 0.000 1.032 197 K CA 0.537 56.787 56.287 -0.062 0.000 1.004 197 K CB 0.007 32.491 32.500 -0.027 0.000 0.804 197 K HN 0.381 nan 8.250 nan 0.000 0.496 198 K N 0.024 120.368 120.400 -0.092 0.000 2.367 198 K HA 0.155 4.475 4.320 0.001 0.000 0.194 198 K C 0.241 176.746 176.600 -0.159 0.000 1.027 198 K CA -0.034 56.201 56.287 -0.088 0.000 1.075 198 K CB 0.830 33.303 32.500 -0.046 0.000 0.845 198 K HN 0.077 nan 8.250 nan 0.000 0.529 199 A N 0.193 122.880 122.820 -0.222 0.000 2.264 199 A HA 0.601 4.921 4.320 0.001 0.000 0.304 199 A C -0.999 176.285 177.584 -0.501 0.000 1.100 199 A CA -0.275 51.620 52.037 -0.237 0.000 0.839 199 A CB 0.249 19.163 19.000 -0.144 0.000 1.121 199 A HN 0.367 nan 8.150 nan 0.000 0.496 200 H N -0.964 118.072 119.070 -0.058 0.000 2.954 200 H HA 0.600 5.157 4.556 0.001 0.000 0.361 200 H C -0.800 174.394 175.328 -0.223 0.000 1.122 200 H CA -0.277 55.754 56.048 -0.029 0.000 1.217 200 H CB 1.846 31.644 29.762 0.060 0.000 1.776 200 H HN 0.752 nan 8.280 nan 0.000 0.533 201 M N 4.397 123.966 119.600 -0.052 0.000 2.378 201 M HA 0.581 5.062 4.480 0.001 0.000 0.289 201 M C -2.011 174.243 176.300 -0.077 0.000 1.136 201 M CA -0.708 54.398 55.300 -0.323 0.000 0.917 201 M CB 1.635 33.992 32.600 -0.404 0.000 1.669 201 M HN 0.600 nan 8.290 nan 0.000 0.461 202 F N 2.801 122.771 119.950 0.034 0.000 2.769 202 F HA 0.436 4.963 4.527 0.001 0.000 0.313 202 F C -0.957 174.806 175.800 -0.061 0.000 1.146 202 F CA -1.152 56.865 58.000 0.028 0.000 0.934 202 F CB 0.053 39.085 39.000 0.053 0.000 1.283 202 F HN 0.366 nan 8.300 nan 0.000 0.443 203 I N 0.391 121.077 120.570 0.194 0.000 2.400 203 I HA 0.057 4.228 4.170 0.001 0.000 0.248 203 I C 0.589 176.820 176.117 0.189 0.000 1.109 203 I CA 1.141 62.479 61.300 0.065 0.000 1.425 203 I CB -0.685 37.306 38.000 -0.015 0.000 1.094 203 I HN 0.669 nan 8.210 nan 0.000 0.425 204 T N 1.405 116.070 114.554 0.185 0.000 2.840 204 T HA 0.562 4.913 4.350 0.001 0.000 0.287 204 T C 0.335 174.958 174.700 -0.127 0.000 0.991 204 T CA -0.561 61.587 62.100 0.080 0.000 0.964 204 T CB 1.918 70.800 68.868 0.023 0.000 0.954 204 T HN 0.292 nan 8.240 nan 0.000 0.438 205 G N 3.169 111.836 108.800 -0.221 0.000 2.594 205 G HA2 0.311 4.272 3.960 0.001 0.000 0.243 205 G HA3 0.311 4.272 3.960 0.001 0.000 0.243 205 G C -1.545 173.077 174.900 -0.463 0.000 1.229 205 G CA -1.244 43.435 45.100 -0.702 0.000 0.843 205 G HN 0.387 nan 8.290 nan 0.000 0.578 206 P HA -0.187 nan 4.420 nan 0.000 0.216 206 P C 1.686 178.884 177.300 -0.170 0.000 1.153 206 P CA 1.477 64.407 63.100 -0.283 0.000 0.858 206 P CB 0.189 31.734 31.700 -0.258 0.000 0.789 207 Q N -0.705 119.008 119.800 -0.146 0.000 2.030 207 Q HA -0.117 4.224 4.340 0.001 0.000 0.204 207 Q C 2.156 178.114 176.000 -0.069 0.000 0.986 207 Q CA 1.455 57.207 55.803 -0.086 0.000 0.843 207 Q CB -1.853 26.849 28.738 -0.061 0.000 0.904 207 Q HN 0.098 nan 8.270 nan 0.000 0.420 208 V N 0.797 120.669 119.914 -0.070 0.000 2.343 208 V HA -0.242 3.879 4.120 0.001 0.000 0.247 208 V C 2.162 178.227 176.094 -0.049 0.000 1.051 208 V CA 1.585 63.859 62.300 -0.045 0.000 1.036 208 V CB -0.608 31.198 31.823 -0.029 0.000 0.654 208 V HN 0.341 nan 8.190 nan 0.000 0.451 209 I N 0.088 120.613 120.570 -0.075 0.000 2.127 209 I HA -0.292 3.878 4.170 0.001 0.000 0.241 209 I C 2.648 178.733 176.117 -0.052 0.000 1.075 209 I CA 1.977 63.238 61.300 -0.066 0.000 1.334 209 I CB -0.403 37.541 38.000 -0.093 0.000 1.040 209 I HN 0.294 nan 8.210 nan 0.000 0.405 210 K N 1.023 121.387 120.400 -0.060 0.000 2.026 210 K HA -0.188 4.132 4.320 0.001 0.000 0.208 210 K C 2.214 178.794 176.600 -0.034 0.000 1.048 210 K CA 2.100 58.359 56.287 -0.046 0.000 0.929 210 K CB -0.650 31.820 32.500 -0.050 0.000 0.713 210 K HN 0.109 nan 8.250 nan 0.000 0.439 211 S N -0.954 114.726 115.700 -0.033 0.000 2.442 211 S HA -0.047 4.423 4.470 0.001 0.000 0.236 211 S C 1.524 176.114 174.600 -0.017 0.000 1.007 211 S CA 1.251 59.437 58.200 -0.023 0.000 0.965 211 S CB -0.077 63.111 63.200 -0.021 0.000 0.773 211 S HN 0.172 nan 8.310 nan 0.000 0.504 212 V N 0.503 120.406 119.914 -0.019 0.000 2.743 212 V HA 0.086 4.206 4.120 0.001 0.000 0.237 212 V C 2.489 178.576 176.094 -0.013 0.000 1.113 212 V CA 1.459 63.752 62.300 -0.013 0.000 1.141 212 V CB -0.241 31.577 31.823 -0.010 0.000 0.873 212 V HN 0.714 nan 8.190 nan 0.000 0.486 213 T N -2.508 112.035 114.554 -0.018 0.000 3.060 213 T HA 0.302 4.652 4.350 0.001 0.000 0.249 213 T C 1.593 176.283 174.700 -0.018 0.000 1.079 213 T CA 0.974 63.064 62.100 -0.016 0.000 1.013 213 T CB 0.680 69.538 68.868 -0.018 0.000 0.975 213 T HN 0.964 nan 8.240 nan 0.000 0.518 214 G N 1.491 110.278 108.800 -0.021 0.000 2.189 214 G HA2 -0.271 3.690 3.960 0.001 0.000 0.267 214 G HA3 -0.271 3.690 3.960 0.001 0.000 0.267 214 G C -0.184 174.701 174.900 -0.025 0.000 0.975 214 G CA 0.300 45.387 45.100 -0.022 0.000 0.644 214 G HN 0.686 nan 8.290 nan 0.000 0.537 215 E N 0.788 120.970 120.200 -0.030 0.000 2.373 215 E HA 0.429 4.780 4.350 0.001 0.000 0.267 215 E C -0.734 175.841 176.600 -0.042 0.000 1.032 215 E CA -0.059 56.321 56.400 -0.033 0.000 0.889 215 E CB 0.513 30.192 29.700 -0.035 0.000 0.984 215 E HN 0.403 nan 8.360 nan 0.000 0.425 216 D N 1.599 121.975 120.400 -0.040 0.000 2.344 216 D HA 0.336 4.976 4.640 0.001 0.000 0.239 216 D C -1.115 175.155 176.300 -0.050 0.000 1.064 216 D CA -0.291 53.682 54.000 -0.045 0.000 0.829 216 D CB 1.377 42.156 40.800 -0.035 0.000 1.129 216 D HN 0.194 nan 8.370 nan 0.000 0.506 217 V N -0.420 119.455 119.914 -0.065 0.000 3.012 217 V HA 0.755 4.876 4.120 0.001 0.000 0.307 217 V C 0.054 176.098 176.094 -0.083 0.000 1.166 217 V CA -1.127 61.132 62.300 -0.069 0.000 0.974 217 V CB 1.420 33.196 31.823 -0.078 0.000 1.040 217 V HN 0.544 nan 8.190 nan 0.000 0.428 218 T N 0.401 114.914 114.554 -0.068 0.000 2.899 218 T HA 0.700 5.051 4.350 0.001 0.000 0.284 218 T C 1.378 176.022 174.700 -0.093 0.000 1.004 218 T CA 0.157 62.212 62.100 -0.075 0.000 1.043 218 T CB 1.611 70.452 68.868 -0.045 0.000 1.013 218 T HN 1.779 nan 8.240 nan 0.000 0.518 219 A N 0.977 123.715 122.820 -0.137 0.000 1.940 219 A HA -0.095 4.225 4.320 0.001 0.000 0.219 219 A C 1.992 179.567 177.584 -0.015 0.000 1.176 219 A CA 2.107 54.050 52.037 -0.157 0.000 0.631 219 A CB -1.255 17.563 19.000 -0.303 0.000 0.814 219 A HN 0.998 nan 8.150 nan 0.000 0.446 220 D N -0.726 119.681 120.400 0.010 0.000 2.144 220 D HA -0.106 4.535 4.640 0.001 0.000 0.200 220 D C 1.987 178.365 176.300 0.130 0.000 0.978 220 D CA 1.442 55.602 54.000 0.265 0.000 0.833 220 D CB -0.089 40.850 40.800 0.231 0.000 0.961 220 D HN 0.635 nan 8.370 nan 0.000 0.470 221 E N -0.528 119.698 120.200 0.042 0.000 2.072 221 E HA -0.135 4.216 4.350 0.001 0.000 0.191 221 E C 1.942 178.529 176.600 -0.021 0.000 0.985 221 E CA 0.440 56.841 56.400 0.002 0.000 0.801 221 E CB 0.005 29.693 29.700 -0.019 0.000 0.750 221 E HN 0.244 nan 8.360 nan 0.000 0.452 222 L N -0.369 120.843 121.223 -0.019 0.000 2.023 222 L HA 0.051 4.392 4.340 0.001 0.000 0.205 222 L C 1.539 178.388 176.870 -0.034 0.000 1.073 222 L CA 1.973 56.787 54.840 -0.042 0.000 0.745 222 L CB -0.012 41.991 42.059 -0.093 0.000 0.900 222 L HN 0.085 nan 8.230 nan 0.000 0.435 223 G N -0.893 107.993 108.800 0.143 0.000 4.803 223 G HA2 0.465 4.425 3.960 0.001 0.000 0.266 223 G HA3 0.465 4.425 3.960 0.001 0.000 0.266 223 G C 0.204 175.277 174.900 0.289 0.000 1.111 223 G CA 0.140 45.341 45.100 0.168 0.000 0.874 223 G HN 0.569 nan 8.290 nan 0.000 0.555 224 G N -0.792 108.107 108.800 0.165 0.000 2.547 224 G HA2 0.511 4.472 3.960 0.001 0.000 0.291 224 G HA3 0.511 4.472 3.960 0.001 0.000 0.291 224 G C 1.271 176.199 174.900 0.047 0.000 1.211 224 G CA 0.307 45.435 45.100 0.047 0.000 0.950 224 G HN 0.474 nan 8.290 nan 0.000 0.504 225 A N -0.016 122.796 122.820 -0.013 0.000 1.917 225 A HA -0.107 4.213 4.320 0.001 0.000 0.219 225 A C 2.199 179.800 177.584 0.030 0.000 1.182 225 A CA 2.190 54.243 52.037 0.026 0.000 0.633 225 A CB -0.437 18.555 19.000 -0.012 0.000 0.819 225 A HN 0.706 nan 8.150 nan 0.000 0.448 226 E N 0.572 120.775 120.200 0.006 0.000 2.110 226 E HA -0.125 4.226 4.350 0.001 0.000 0.193 226 E C 2.094 178.687 176.600 -0.012 0.000 0.988 226 E CA 1.322 57.724 56.400 0.002 0.000 0.804 226 E CB -1.006 28.695 29.700 0.001 0.000 0.745 226 E HN 0.543 nan 8.360 nan 0.000 0.458 227 A N 2.330 125.122 122.820 -0.047 0.000 1.858 227 A HA -0.195 4.125 4.320 0.001 0.000 0.216 227 A C 2.166 179.661 177.584 -0.148 0.000 1.190 227 A CA 1.553 53.521 52.037 -0.114 0.000 0.617 227 A CB -0.906 17.981 19.000 -0.189 0.000 0.827 227 A HN 0.271 nan 8.150 nan 0.000 0.443 228 H N -1.702 117.345 119.070 -0.039 0.000 2.387 228 H HA -0.103 4.454 4.556 0.001 0.000 0.299 228 H C 2.053 177.298 175.328 -0.139 0.000 1.090 228 H CA 2.054 58.047 56.048 -0.090 0.000 1.332 228 H CB -0.263 29.439 29.762 -0.100 0.000 1.386 228 H HN 0.554 nan 8.280 nan 0.000 0.516 229 M N 0.608 120.218 119.600 0.016 0.000 2.081 229 M HA 0.027 4.508 4.480 0.001 0.000 0.261 229 M C 2.403 178.729 176.300 0.043 0.000 1.075 229 M CA 1.920 57.202 55.300 -0.030 0.000 1.133 229 M CB -0.412 32.186 32.600 -0.004 0.000 1.330 229 M HN 0.113 nan 8.290 nan 0.000 0.414 230 A N -0.462 122.402 122.820 0.072 0.000 1.930 230 A HA 0.100 4.420 4.320 0.001 0.000 0.215 230 A C 2.062 179.762 177.584 0.193 0.000 1.176 230 A CA 1.531 53.648 52.037 0.135 0.000 0.632 230 A CB -0.697 18.334 19.000 0.051 0.000 0.819 230 A HN 0.592 nan 8.150 nan 0.000 0.445 231 I N -1.354 119.274 120.570 0.097 0.000 2.726 231 I HA -0.057 4.114 4.170 0.001 0.000 0.243 231 I C 2.437 178.611 176.117 0.095 0.000 1.082 231 I CA 1.010 62.361 61.300 0.086 0.000 1.447 231 I CB -0.389 37.613 38.000 0.003 0.000 1.250 231 I HN 0.133 nan 8.210 nan 0.000 0.453 232 S N 0.559 116.249 115.700 -0.016 0.000 2.423 232 S HA 0.004 4.474 4.470 0.001 0.000 0.231 232 S C 1.690 176.157 174.600 -0.221 0.000 1.014 232 S CA 0.986 59.156 58.200 -0.051 0.000 0.965 232 S CB -0.236 62.964 63.200 -0.000 0.000 0.785 232 S HN 0.725 nan 8.310 nan 0.000 0.495 233 G N 1.790 110.249 108.800 -0.568 0.000 2.153 233 G HA2 -0.284 3.676 3.960 0.001 0.000 0.252 233 G HA3 -0.284 3.676 3.960 0.001 0.000 0.252 233 G C 0.607 175.112 174.900 -0.659 0.000 0.994 233 G CA 0.475 44.794 45.100 -1.302 0.000 0.698 233 G HN 0.465 nan 8.290 nan 0.000 0.521 234 N N -0.086 118.401 118.700 -0.355 0.000 2.457 234 N HA 0.130 4.871 4.740 0.001 0.000 0.180 234 N C 1.412 176.730 175.510 -0.320 0.000 1.050 234 N CA 1.390 54.284 53.050 -0.261 0.000 0.906 234 N CB 0.132 38.531 38.487 -0.147 0.000 0.968 234 N HN 0.906 nan 8.380 nan 0.000 0.445 235 I N -3.259 117.100 120.570 -0.352 0.000 3.170 235 I HA 0.397 4.568 4.170 0.001 0.000 0.312 235 I C 0.252 176.095 176.117 -0.458 0.000 1.085 235 I CA -0.716 60.411 61.300 -0.287 0.000 0.999 235 I CB 1.800 39.731 38.000 -0.115 0.000 1.233 235 I HN -0.252 nan 8.210 nan 0.000 0.467 236 H N 1.066 120.071 119.070 -0.109 0.000 2.788 236 H HA 0.473 5.029 4.556 0.001 0.000 0.262 236 H C -1.014 173.879 175.328 -0.724 0.000 0.968 236 H CA 0.345 56.200 56.048 -0.321 0.000 1.218 236 H CB 0.489 30.187 29.762 -0.107 0.000 1.443 236 H HN 0.414 nan 8.280 nan 0.000 0.478 237 F N -0.153 119.872 119.950 0.124 0.000 2.591 237 F HA 0.489 5.016 4.527 0.001 0.000 0.309 237 F C -0.853 174.961 175.800 0.024 0.000 1.098 237 F CA -1.276 56.759 58.000 0.059 0.000 0.937 237 F CB 1.963 40.989 39.000 0.043 0.000 1.250 237 F HN -0.339 nan 8.300 nan 0.000 0.447 238 V N 2.467 122.491 119.914 0.183 0.000 2.417 238 V HA 0.828 4.948 4.120 0.001 0.000 0.291 238 V C -0.311 175.841 176.094 0.097 0.000 1.024 238 V CA -0.662 61.698 62.300 0.100 0.000 0.861 238 V CB 1.377 33.233 31.823 0.055 0.000 0.985 238 V HN 0.893 nan 8.190 nan 0.000 0.436 239 A N 3.028 125.886 122.820 0.064 0.000 2.350 239 A HA 0.703 5.024 4.320 0.001 0.000 0.324 239 A C 0.752 178.349 177.584 0.021 0.000 1.118 239 A CA -0.423 51.639 52.037 0.042 0.000 0.783 239 A CB 1.428 20.448 19.000 0.034 0.000 1.236 239 A HN 0.835 nan 8.150 nan 0.000 0.457 240 E N 1.093 121.302 120.200 0.016 0.000 2.051 240 E HA -0.098 4.253 4.350 0.001 0.000 0.192 240 E C 0.236 176.838 176.600 0.003 0.000 0.991 240 E CA 2.406 58.810 56.400 0.007 0.000 0.799 240 E CB 0.079 29.782 29.700 0.005 0.000 0.748 240 E HN 0.865 nan 8.360 nan 0.000 0.449 241 D N -3.011 117.393 120.400 0.006 0.000 2.768 241 D HA 0.128 4.769 4.640 0.001 0.000 0.327 241 D C 0.044 176.355 176.300 0.018 0.000 1.302 241 D CA -0.410 53.594 54.000 0.006 0.000 0.897 241 D CB -0.252 40.548 40.800 0.000 0.000 1.420 241 D HN -0.263 nan 8.370 nan 0.000 0.494 242 D N -0.436 119.977 120.400 0.021 0.000 2.149 242 D HA -0.115 4.526 4.640 0.001 0.000 0.198 242 D C 1.055 177.376 176.300 0.035 0.000 0.990 242 D CA 1.188 55.212 54.000 0.042 0.000 0.839 242 D CB -0.119 40.687 40.800 0.010 0.000 0.948 242 D HN 0.362 nan 8.370 nan 0.000 0.460 243 D N 0.239 120.643 120.400 0.007 0.000 2.104 243 D HA -0.104 4.537 4.640 0.001 0.000 0.194 243 D C 2.014 178.314 176.300 -0.000 0.000 0.994 243 D CA 1.401 55.398 54.000 -0.003 0.000 0.830 243 D CB -0.284 40.506 40.800 -0.016 0.000 0.959 243 D HN 0.159 nan 8.370 nan 0.000 0.452 244 A N 0.895 123.715 122.820 0.000 0.000 1.930 244 A HA -0.003 4.318 4.320 0.001 0.000 0.217 244 A C 2.301 179.879 177.584 -0.011 0.000 1.175 244 A CA 2.059 54.092 52.037 -0.007 0.000 0.627 244 A CB -0.637 18.363 19.000 -0.001 0.000 0.815 244 A HN 0.229 nan 8.150 nan 0.000 0.443 245 A N -0.080 122.747 122.820 0.012 0.000 1.933 245 A HA -0.179 4.142 4.320 0.001 0.000 0.218 245 A C 1.891 179.471 177.584 -0.006 0.000 1.175 245 A CA 1.781 53.824 52.037 0.009 0.000 0.628 245 A CB -0.496 18.543 19.000 0.065 0.000 0.814 245 A HN 0.621 nan 8.150 nan 0.000 0.444 246 E N -0.215 120.013 120.200 0.046 0.000 2.106 246 E HA -0.092 4.258 4.350 0.001 0.000 0.192 246 E C 1.912 178.495 176.600 -0.028 0.000 0.984 246 E CA 1.030 57.459 56.400 0.050 0.000 0.806 246 E CB -0.235 29.515 29.700 0.083 0.000 0.750 246 E HN 0.621 nan 8.360 nan 0.000 0.458 247 L N 0.502 121.700 121.223 -0.041 0.000 2.093 247 L HA -0.146 4.194 4.340 0.001 0.000 0.208 247 L C 2.346 179.152 176.870 -0.108 0.000 1.085 247 L CA 0.831 55.632 54.840 -0.065 0.000 0.755 247 L CB -0.270 41.757 42.059 -0.052 0.000 0.904 247 L HN 0.184 nan 8.230 nan 0.000 0.435 248 I N -0.168 120.320 120.570 -0.135 0.000 2.252 248 I HA -0.265 3.906 4.170 0.001 0.000 0.245 248 I C 2.806 178.732 176.117 -0.320 0.000 1.102 248 I CA 1.077 62.228 61.300 -0.249 0.000 1.385 248 I CB -0.419 37.407 38.000 -0.291 0.000 1.064 248 I HN 0.192 nan 8.210 nan 0.000 0.414 249 A N 0.994 123.665 122.820 -0.247 0.000 1.908 249 A HA -0.242 4.078 4.320 0.001 0.000 0.218 249 A C 2.305 179.766 177.584 -0.205 0.000 1.181 249 A CA 1.767 53.655 52.037 -0.249 0.000 0.627 249 A CB -0.450 18.426 19.000 -0.208 0.000 0.818 249 A HN 0.334 nan 8.150 nan 0.000 0.445 250 K N -0.620 119.688 120.400 -0.153 0.000 2.057 250 K HA -0.144 4.176 4.320 0.001 0.000 0.206 250 K C 2.185 178.696 176.600 -0.148 0.000 1.050 250 K CA 1.513 57.722 56.287 -0.130 0.000 0.935 250 K CB -0.109 32.333 32.500 -0.097 0.000 0.715 250 K HN 0.330 nan 8.250 nan 0.000 0.439 251 K N 1.627 121.938 120.400 -0.148 0.000 2.026 251 K HA -0.151 4.170 4.320 0.001 0.000 0.208 251 K C 1.951 178.509 176.600 -0.070 0.000 1.048 251 K CA 1.059 57.276 56.287 -0.116 0.000 0.929 251 K CB -0.494 31.962 32.500 -0.073 0.000 0.713 251 K HN 0.035 nan 8.250 nan 0.000 0.439 252 L N 0.498 121.627 121.223 -0.157 0.000 1.989 252 L HA -0.075 4.266 4.340 0.001 0.000 0.211 252 L C 2.082 178.851 176.870 -0.167 0.000 1.071 252 L CA 1.690 56.422 54.840 -0.180 0.000 0.749 252 L CB -0.946 40.821 42.059 -0.486 0.000 0.890 252 L HN 0.341 nan 8.230 nan 0.000 0.431 253 L N -0.217 120.890 121.223 -0.193 0.000 2.127 253 L HA -0.183 4.158 4.340 0.001 0.000 0.211 253 L C 2.742 179.523 176.870 -0.149 0.000 1.089 253 L CA 2.004 56.749 54.840 -0.158 0.000 0.757 253 L CB -0.886 41.095 42.059 -0.131 0.000 0.899 253 L HN 0.663 nan 8.230 nan 0.000 0.434 254 S N -1.354 114.227 115.700 -0.198 0.000 2.419 254 S HA -0.206 4.265 4.470 0.001 0.000 0.235 254 S C 1.802 176.202 174.600 -0.334 0.000 1.019 254 S CA 1.339 59.369 58.200 -0.282 0.000 0.982 254 S CB -1.100 61.864 63.200 -0.394 0.000 0.789 254 S HN 0.468 nan 8.310 nan 0.000 0.490 255 F N 1.636 121.468 119.950 -0.198 0.000 2.780 255 F HA 0.434 4.962 4.527 0.001 0.000 0.299 255 F C 0.797 176.463 175.800 -0.223 0.000 1.146 255 F CA -0.144 57.717 58.000 -0.232 0.000 1.428 255 F CB -0.072 38.651 39.000 -0.462 0.000 1.115 255 F HN 0.104 nan 8.300 nan 0.000 0.583 256 L N 1.326 122.516 121.223 -0.055 0.000 2.334 256 L HA 0.444 4.784 4.340 0.001 0.000 0.272 256 L C -2.193 174.669 176.870 -0.013 0.000 1.020 256 L CA -2.276 52.538 54.840 -0.043 0.000 0.812 256 L CB 1.004 43.007 42.059 -0.093 0.000 1.264 256 L HN -0.301 nan 8.230 nan 0.000 0.439 257 P HA 0.133 nan 4.420 nan 0.000 0.279 257 P C -0.399 176.921 177.300 0.033 0.000 1.276 257 P CA -0.474 62.664 63.100 0.062 0.000 0.801 257 P CB 1.080 32.860 31.700 0.133 0.000 1.127 258 Q N 0.213 120.050 119.800 0.062 0.000 2.119 258 Q HA -0.067 4.274 4.340 0.001 0.000 0.201 258 Q C 0.646 176.711 176.000 0.109 0.000 0.972 258 Q CA 1.704 57.548 55.803 0.068 0.000 0.847 258 Q CB -0.322 28.461 28.738 0.075 0.000 0.903 258 Q HN 0.702 nan 8.270 nan 0.000 0.433 259 N N -1.730 117.071 118.700 0.168 0.000 0.000 259 N HA -0.003 4.738 4.740 0.001 0.000 0.000 259 N C -0.198 175.508 175.510 0.326 0.000 0.000 259 N CA -0.344 52.870 53.050 0.273 0.000 0.000 259 N CB -0.293 38.299 38.487 0.174 0.000 0.000 259 N HN -0.210 nan 8.380 nan 0.000 0.000 260 N N -1.838 117.004 118.700 0.237 0.000 2.571 260 N HA -0.089 4.651 4.740 0.001 0.000 0.189 260 N C 0.506 176.022 175.510 0.009 0.000 1.154 260 N CA 1.219 54.278 53.050 0.014 0.000 0.907 260 N CB -0.663 37.664 38.487 -0.266 0.000 0.977 260 N HN 0.762 nan 8.380 nan 0.000 0.449 261 T N -4.248 110.337 114.554 0.051 0.000 3.086 261 T HA 0.236 4.587 4.350 0.001 0.000 0.250 261 T C 0.049 174.778 174.700 0.049 0.000 1.074 261 T CA -0.261 61.859 62.100 0.033 0.000 0.988 261 T CB 0.033 68.920 68.868 0.031 0.000 0.988 261 T HN 0.201 nan 8.240 nan 0.000 0.530 262 E N 0.439 120.685 120.200 0.078 0.000 2.369 262 E HA 0.523 4.873 4.350 0.001 0.000 0.270 262 E C -1.126 175.538 176.600 0.107 0.000 0.909 262 E CA -0.892 55.557 56.400 0.082 0.000 0.775 262 E CB 2.135 31.884 29.700 0.082 0.000 1.270 262 E HN 0.348 nan 8.360 nan 0.000 0.445 263 E N 0.724 120.989 120.200 0.108 0.000 2.242 263 E HA 0.531 4.881 4.350 0.001 0.000 0.275 263 E C -0.957 175.737 176.600 0.155 0.000 1.002 263 E CA -0.728 55.758 56.400 0.143 0.000 0.841 263 E CB 1.110 30.909 29.700 0.165 0.000 1.109 263 E HN 0.567 nan 8.360 nan 0.000 0.394 264 A N 2.708 125.629 122.820 0.169 0.000 2.531 264 A HA 0.117 4.437 4.320 0.001 0.000 0.236 264 A C 0.028 177.740 177.584 0.212 0.000 1.062 264 A CA -0.024 52.104 52.037 0.152 0.000 0.760 264 A CB 0.225 19.302 19.000 0.129 0.000 0.995 264 A HN 0.618 nan 8.150 nan 0.000 0.501 265 S N 1.468 117.262 115.700 0.157 0.000 2.549 265 S HA 0.306 4.777 4.470 0.001 0.000 0.286 265 S C 0.008 174.798 174.600 0.317 0.000 1.314 265 S CA -0.114 58.196 58.200 0.183 0.000 1.062 265 S CB -0.148 63.106 63.200 0.090 0.000 0.865 265 S HN 0.380 nan 8.310 nan 0.000 0.498 266 F N 1.888 121.860 119.950 0.037 0.000 2.553 266 F HA 0.253 4.780 4.527 0.001 0.000 0.356 266 F C 0.560 176.379 175.800 0.031 0.000 1.142 266 F CA -0.858 57.171 58.000 0.048 0.000 1.322 266 F CB 0.084 39.119 39.000 0.059 0.000 1.126 266 F HN 0.129 nan 8.300 nan 0.000 0.599 267 V N 2.893 122.912 119.914 0.175 0.000 2.531 267 V HA 0.239 4.360 4.120 0.001 0.000 0.301 267 V C -0.069 176.111 176.094 0.144 0.000 1.034 267 V CA -1.461 60.895 62.300 0.094 0.000 0.865 267 V CB 1.550 33.356 31.823 -0.028 0.000 0.995 267 V HN 0.785 nan 8.190 nan 0.000 0.424 268 N N 4.195 122.981 118.700 0.144 0.000 2.678 268 N HA -0.129 4.611 4.740 0.001 0.000 0.268 268 N C -2.095 173.668 175.510 0.422 0.000 1.010 268 N CA 0.319 53.499 53.050 0.216 0.000 0.784 268 N CB -0.243 38.298 38.487 0.090 0.000 0.905 268 N HN 0.508 nan 8.380 nan 0.000 0.552 269 P HA 0.041 nan 4.420 nan 0.000 0.268 269 P C -0.576 176.855 177.300 0.219 0.000 1.204 269 P CA 0.127 63.370 63.100 0.238 0.000 0.768 269 P CB 0.585 32.416 31.700 0.217 0.000 0.842 270 N N 3.124 121.783 118.700 -0.068 0.000 2.511 270 N HA 0.113 4.854 4.740 0.001 0.000 0.249 270 N C 0.049 175.450 175.510 -0.181 0.000 0.971 270 N CA -0.342 52.499 53.050 -0.348 0.000 0.938 270 N CB -0.204 37.622 38.487 -1.101 0.000 1.131 270 N HN 0.242 nan 8.380 nan 0.000 0.505 271 N N 1.619 120.280 118.700 -0.066 0.000 2.398 271 N HA -0.042 4.699 4.740 0.001 0.000 0.188 271 N C -0.681 174.804 175.510 -0.042 0.000 1.122 271 N CA -0.172 52.863 53.050 -0.025 0.000 0.866 271 N CB 0.358 38.863 38.487 0.029 0.000 0.970 271 N HN 0.591 nan 8.380 nan 0.000 0.462 272 D N 0.457 120.810 120.400 -0.079 0.000 2.304 272 D HA 0.094 4.735 4.640 0.001 0.000 0.250 272 D C 0.392 176.647 176.300 -0.074 0.000 1.107 272 D CA -0.404 53.557 54.000 -0.065 0.000 0.885 272 D CB 1.065 41.822 40.800 -0.070 0.000 1.192 272 D HN -0.052 nan 8.370 nan 0.000 0.436 273 V N 0.643 120.528 119.914 -0.049 0.000 2.909 273 V HA 0.375 4.496 4.120 0.001 0.000 0.362 273 V C 0.201 176.270 176.094 -0.042 0.000 1.356 273 V CA -0.719 61.552 62.300 -0.047 0.000 1.195 273 V CB -0.161 31.641 31.823 -0.036 0.000 1.256 273 V HN 0.378 nan 8.190 nan 0.000 0.567 274 S N 3.180 118.856 115.700 -0.040 0.000 2.566 274 S HA 0.372 4.842 4.470 0.001 0.000 0.280 274 S C -1.909 172.668 174.600 -0.039 0.000 1.343 274 S CA 0.023 58.203 58.200 -0.034 0.000 1.036 274 S CB 0.406 63.590 63.200 -0.027 0.000 0.866 274 S HN 0.559 nan 8.310 nan 0.000 0.526 275 P HA 0.201 nan 4.420 nan 0.000 0.270 275 P C -0.528 176.746 177.300 -0.045 0.000 1.223 275 P CA -0.323 62.746 63.100 -0.051 0.000 0.785 275 P CB 0.365 32.032 31.700 -0.056 0.000 0.923 276 N N 0.717 119.386 118.700 -0.052 0.000 2.664 276 N HA 0.056 4.796 4.740 0.001 0.000 0.257 276 N C 0.661 176.134 175.510 -0.063 0.000 1.108 276 N CA -0.127 52.899 53.050 -0.041 0.000 0.822 276 N CB 0.574 39.047 38.487 -0.022 0.000 1.199 276 N HN 0.322 nan 8.380 nan 0.000 0.529 277 T N -0.411 114.105 114.554 -0.064 0.000 2.946 277 T HA -0.113 4.238 4.350 0.001 0.000 0.271 277 T C 1.052 175.704 174.700 -0.081 0.000 1.104 277 T CA 1.140 63.190 62.100 -0.083 0.000 1.114 277 T CB -0.052 68.776 68.868 -0.066 0.000 0.867 277 T HN 0.500 nan 8.240 nan 0.000 0.513 278 E N 0.891 121.061 120.200 -0.051 0.000 2.204 278 E HA 0.000 4.351 4.350 0.001 0.000 0.195 278 E C 2.008 178.584 176.600 -0.041 0.000 0.990 278 E CA 0.813 57.193 56.400 -0.034 0.000 0.821 278 E CB -0.383 29.313 29.700 -0.006 0.000 0.750 278 E HN 0.523 nan 8.360 nan 0.000 0.477 279 L N 0.541 121.729 121.223 -0.058 0.000 2.265 279 L HA -0.161 4.180 4.340 0.001 0.000 0.215 279 L C 2.339 179.095 176.870 -0.190 0.000 1.117 279 L CA 0.893 55.703 54.840 -0.051 0.000 0.782 279 L CB -0.192 41.836 42.059 -0.051 0.000 0.914 279 L HN 0.053 nan 8.230 nan 0.000 0.441 280 R N -0.221 120.139 120.500 -0.233 0.000 2.148 280 R HA -0.102 4.239 4.340 0.001 0.000 0.227 280 R C 0.854 177.070 176.300 -0.141 0.000 1.103 280 R CA 1.045 56.988 56.100 -0.262 0.000 0.983 280 R CB -0.089 30.087 30.300 -0.205 0.000 0.874 280 R HN 0.406 nan 8.270 nan 0.000 0.451 281 D N -0.269 120.080 120.400 -0.085 0.000 2.369 281 D HA 0.078 4.719 4.640 0.001 0.000 0.211 281 D C 1.449 177.726 176.300 -0.039 0.000 1.077 281 D CA 0.291 54.260 54.000 -0.051 0.000 0.842 281 D CB 0.432 41.211 40.800 -0.035 0.000 0.947 281 D HN 0.243 nan 8.370 nan 0.000 0.509 282 I N 0.286 120.832 120.570 -0.039 0.000 2.480 282 I HA -0.068 4.103 4.170 0.001 0.000 0.251 282 I C 0.703 176.665 176.117 -0.258 0.000 1.124 282 I CA 0.580 61.840 61.300 -0.067 0.000 1.444 282 I CB 0.394 38.388 38.000 -0.010 0.000 1.098 282 I HN -0.243 nan 8.210 nan 0.000 0.428 283 V N 3.379 123.116 119.914 -0.294 0.000 2.348 283 V HA 0.230 4.351 4.120 0.001 0.000 0.270 283 V C -2.193 173.795 176.094 -0.177 0.000 1.037 283 V CA -1.494 60.489 62.300 -0.529 0.000 0.872 283 V CB 0.386 31.988 31.823 -0.369 0.000 1.002 283 V HN 0.038 nan 8.190 nan 0.000 0.464 284 P HA 0.179 nan 4.420 nan 0.000 0.268 284 P C 0.930 178.238 177.300 0.014 0.000 1.204 284 P CA -0.266 62.830 63.100 -0.007 0.000 0.768 284 P CB 0.601 32.327 31.700 0.043 0.000 0.842 285 I N 0.834 121.415 120.570 0.018 0.000 2.756 285 I HA -0.101 4.070 4.170 0.001 0.000 0.262 285 I C 0.805 176.946 176.117 0.039 0.000 1.225 285 I CA 1.242 62.561 61.300 0.032 0.000 1.472 285 I CB -0.978 37.038 38.000 0.026 0.000 1.094 285 I HN 0.392 nan 8.210 nan 0.000 0.454 286 D N 1.012 121.434 120.400 0.037 0.000 2.365 286 D HA 0.184 4.824 4.640 0.001 0.000 0.237 286 D C 1.508 177.835 176.300 0.045 0.000 1.190 286 D CA -0.033 53.990 54.000 0.039 0.000 0.867 286 D CB 1.179 41.999 40.800 0.033 0.000 1.050 286 D HN 0.169 nan 8.370 nan 0.000 0.491 287 G N 3.805 112.631 108.800 0.043 0.000 2.501 287 G HA2 -0.271 3.689 3.960 0.001 0.000 0.220 287 G HA3 -0.271 3.689 3.960 0.001 0.000 0.220 287 G C 1.279 176.193 174.900 0.023 0.000 1.114 287 G CA 0.512 45.633 45.100 0.034 0.000 0.757 287 G HN 0.512 nan 8.290 nan 0.000 0.559 288 K N -0.277 120.139 120.400 0.026 0.000 2.305 288 K HA 0.070 4.390 4.320 0.001 0.000 0.199 288 K C 0.497 177.110 176.600 0.021 0.000 1.047 288 K CA 0.341 56.637 56.287 0.016 0.000 0.976 288 K CB 0.181 32.691 32.500 0.017 0.000 0.765 288 K HN 0.060 nan 8.250 nan 0.000 0.474 289 K N 1.374 121.798 120.400 0.041 0.000 2.205 289 K HA 0.210 4.530 4.320 0.001 0.000 0.279 289 K C 0.389 177.046 176.600 0.096 0.000 1.027 289 K CA -0.159 56.162 56.287 0.056 0.000 0.932 289 K CB 1.594 34.130 32.500 0.060 0.000 1.032 289 K HN 0.079 nan 8.250 nan 0.000 0.466 290 G N 1.326 110.171 108.800 0.075 0.000 2.557 290 G HA2 0.622 4.583 3.960 0.001 0.000 0.302 290 G HA3 0.622 4.583 3.960 0.001 0.000 0.302 290 G C -1.031 173.987 174.900 0.197 0.000 1.311 290 G CA -0.333 44.806 45.100 0.063 0.000 1.030 290 G HN 0.598 nan 8.290 nan 0.000 0.509 291 Y N -3.003 117.282 120.300 -0.025 0.000 2.741 291 Y HA 0.546 5.097 4.550 0.001 0.000 0.339 291 Y C -1.736 174.147 175.900 -0.028 0.000 1.226 291 Y CA -1.594 56.496 58.100 -0.016 0.000 1.072 291 Y CB 1.165 39.623 38.460 -0.003 0.000 1.331 291 Y HN 0.436 nan 8.280 nan 0.000 0.453 292 D N 1.293 121.744 120.400 0.085 0.000 2.373 292 D HA 0.172 4.813 4.640 0.001 0.000 0.227 292 D C 0.597 176.935 176.300 0.063 0.000 1.091 292 D CA -0.036 53.951 54.000 -0.022 0.000 0.840 292 D CB 2.295 43.107 40.800 0.021 0.000 1.060 292 D HN 0.646 nan 8.370 nan 0.000 0.502 293 V N 5.531 125.395 119.914 -0.084 0.000 2.688 293 V HA -0.208 3.913 4.120 0.001 0.000 0.256 293 V C 2.148 178.226 176.094 -0.026 0.000 1.084 293 V CA 1.684 63.992 62.300 0.013 0.000 1.103 293 V CB -0.299 31.457 31.823 -0.110 0.000 0.688 293 V HN 0.502 nan 8.190 nan 0.000 0.480 294 R N -0.341 120.122 120.500 -0.062 0.000 2.193 294 R HA -0.117 4.224 4.340 0.001 0.000 0.229 294 R C 1.842 178.122 176.300 -0.033 0.000 1.110 294 R CA 1.455 57.480 56.100 -0.125 0.000 0.988 294 R CB -0.281 29.995 30.300 -0.039 0.000 0.871 294 R HN 0.545 nan 8.270 nan 0.000 0.458 295 D N -0.119 120.312 120.400 0.052 0.000 2.183 295 D HA -0.087 4.554 4.640 0.001 0.000 0.203 295 D C 1.841 178.186 176.300 0.076 0.000 0.969 295 D CA 0.890 54.941 54.000 0.085 0.000 0.842 295 D CB 0.122 40.988 40.800 0.110 0.000 0.957 295 D HN 0.013 nan 8.370 nan 0.000 0.484 296 V N 1.147 121.105 119.914 0.072 0.000 2.323 296 V HA -0.162 3.959 4.120 0.001 0.000 0.244 296 V C 2.538 178.647 176.094 0.026 0.000 1.041 296 V CA 0.873 63.218 62.300 0.075 0.000 1.025 296 V CB -0.260 31.597 31.823 0.056 0.000 0.656 296 V HN 0.155 nan 8.190 nan 0.000 0.451 297 I N 0.841 121.375 120.570 -0.060 0.000 2.208 297 I HA -0.289 3.881 4.170 0.001 0.000 0.245 297 I C 2.668 178.759 176.117 -0.044 0.000 1.097 297 I CA 1.667 62.891 61.300 -0.127 0.000 1.363 297 I CB -0.623 37.153 38.000 -0.374 0.000 1.051 297 I HN 0.305 nan 8.210 nan 0.000 0.413 298 A N 0.693 123.520 122.820 0.012 0.000 1.972 298 A HA -0.206 4.115 4.320 0.001 0.000 0.219 298 A C 2.223 179.880 177.584 0.121 0.000 1.169 298 A CA 1.583 53.717 52.037 0.162 0.000 0.635 298 A CB -0.388 18.747 19.000 0.224 0.000 0.810 298 A HN 0.395 nan 8.150 nan 0.000 0.446 299 K N -0.960 119.490 120.400 0.083 0.000 2.400 299 K HA 0.276 4.597 4.320 0.001 0.000 0.194 299 K C 1.287 177.916 176.600 0.047 0.000 1.033 299 K CA 0.488 56.815 56.287 0.066 0.000 1.021 299 K CB 0.054 32.593 32.500 0.065 0.000 0.808 299 K HN 0.514 nan 8.250 nan 0.000 0.505 300 I N 0.802 121.402 120.570 0.050 0.000 2.927 300 I HA -0.059 4.112 4.170 0.001 0.000 0.268 300 I C 0.842 176.971 176.117 0.020 0.000 1.153 300 I CA 0.030 61.352 61.300 0.037 0.000 1.459 300 I CB 0.501 38.528 38.000 0.046 0.000 1.149 300 I HN -0.111 nan 8.210 nan 0.000 0.443 301 V N -1.070 118.871 119.914 0.045 0.000 2.904 301 V HA 0.277 4.397 4.120 0.001 0.000 0.305 301 V C -0.342 175.754 176.094 0.003 0.000 1.067 301 V CA -0.990 61.343 62.300 0.055 0.000 1.044 301 V CB 0.627 32.534 31.823 0.139 0.000 1.050 301 V HN 0.015 nan 8.190 nan 0.000 0.475 302 D N 2.929 123.290 120.400 -0.066 0.000 2.531 302 D HA 0.065 4.705 4.640 0.001 0.000 0.239 302 D C 0.390 176.604 176.300 -0.145 0.000 1.144 302 D CA 1.147 54.941 54.000 -0.344 0.000 0.869 302 D CB -0.288 40.285 40.800 -0.378 0.000 1.160 302 D HN 0.890 nan 8.370 nan 0.000 0.484 303 W N 1.244 122.590 121.300 0.078 0.000 3.572 303 W HA -0.270 4.391 4.660 0.001 0.000 0.298 303 W C 1.554 178.127 176.519 0.090 0.000 1.113 303 W CA 0.040 57.428 57.345 0.071 0.000 0.657 303 W CB -2.044 27.451 29.460 0.058 0.000 2.150 303 W HN 0.768 nan 8.180 nan 0.000 1.471 304 G N 0.110 109.054 108.800 0.240 0.000 2.166 304 G HA2 -0.382 3.579 3.960 0.001 0.000 0.260 304 G HA3 -0.382 3.579 3.960 0.001 0.000 0.260 304 G C -0.115 174.971 174.900 0.311 0.000 0.986 304 G CA 0.312 45.564 45.100 0.254 0.000 0.683 304 G HN 0.543 nan 8.290 nan 0.000 0.527 305 D N 0.111 120.703 120.400 0.320 0.000 2.277 305 D HA 0.597 5.238 4.640 0.001 0.000 0.249 305 D C 0.129 176.642 176.300 0.356 0.000 1.134 305 D CA -0.491 53.665 54.000 0.259 0.000 0.863 305 D CB 0.204 41.177 40.800 0.289 0.000 1.143 305 D HN 0.562 nan 8.370 nan 0.000 0.458 306 Y N 1.720 122.137 120.300 0.194 0.000 2.552 306 Y HA 0.540 5.090 4.550 0.001 0.000 0.337 306 Y C -2.041 173.941 175.900 0.137 0.000 1.094 306 Y CA -1.592 56.599 58.100 0.152 0.000 1.028 306 Y CB 0.834 39.341 38.460 0.078 0.000 1.321 306 Y HN 0.252 nan 8.280 nan 0.000 0.456 307 L N 3.130 124.480 121.223 0.211 0.000 2.318 307 L HA 0.489 4.830 4.340 0.001 0.000 0.277 307 L C -0.581 176.405 176.870 0.193 0.000 1.008 307 L CA -0.360 54.595 54.840 0.192 0.000 0.846 307 L CB 1.196 43.403 42.059 0.247 0.000 1.220 307 L HN 0.790 nan 8.230 nan 0.000 0.423 308 E N 3.197 123.515 120.200 0.196 0.000 2.360 308 E HA 0.249 4.600 4.350 0.001 0.000 0.269 308 E C -0.906 175.653 176.600 -0.068 0.000 1.022 308 E CA -0.247 56.182 56.400 0.048 0.000 0.887 308 E CB 1.478 31.215 29.700 0.062 0.000 0.990 308 E HN 0.404 nan 8.360 nan 0.000 0.426 309 V N 4.502 124.250 119.914 -0.277 0.000 2.472 309 V HA 0.101 4.222 4.120 0.001 0.000 0.290 309 V C 0.338 176.215 176.094 -0.361 0.000 1.037 309 V CA -0.517 61.522 62.300 -0.436 0.000 0.908 309 V CB 1.242 32.921 31.823 -0.240 0.000 0.985 309 V HN 0.797 nan 8.190 nan 0.000 0.454 310 K N 2.345 122.498 120.400 -0.411 0.000 3.077 310 K HA -0.275 4.046 4.320 0.001 0.000 0.264 310 K C 1.420 177.939 176.600 -0.135 0.000 1.008 310 K CA 0.488 56.635 56.287 -0.234 0.000 0.740 310 K CB -1.238 31.179 32.500 -0.138 0.000 1.273 310 K HN 0.944 nan 8.250 nan 0.000 0.477 311 A N 0.126 122.855 122.820 -0.152 0.000 1.917 311 A HA -0.140 4.181 4.320 0.001 0.000 0.219 311 A C 2.076 179.638 177.584 -0.036 0.000 1.182 311 A CA 2.046 54.039 52.037 -0.073 0.000 0.633 311 A CB -0.276 18.707 19.000 -0.027 0.000 0.819 311 A HN 0.616 nan 8.150 nan 0.000 0.448 312 G N -3.219 105.572 108.800 -0.015 0.000 3.233 312 G HA2 0.325 4.286 3.960 0.001 0.000 0.227 312 G HA3 0.325 4.286 3.960 0.001 0.000 0.227 312 G C -0.023 174.912 174.900 0.059 0.000 1.175 312 G CA 0.101 45.207 45.100 0.011 0.000 0.781 312 G HN 0.414 nan 8.290 nan 0.000 0.542 313 Y N 0.505 120.746 120.300 -0.099 0.000 2.393 313 Y HA 0.481 5.031 4.550 0.001 0.000 0.341 313 Y C 0.373 176.217 175.900 -0.095 0.000 0.988 313 Y CA -1.242 56.800 58.100 -0.095 0.000 1.078 313 Y CB 1.897 40.288 38.460 -0.115 0.000 1.203 313 Y HN 0.353 nan 8.280 nan 0.000 0.453 314 A N 3.363 125.771 122.820 -0.686 0.000 2.312 314 A HA -0.261 4.060 4.320 0.001 0.000 0.286 314 A C 1.136 178.556 177.584 -0.273 0.000 1.425 314 A CA 1.340 53.054 52.037 -0.538 0.000 0.748 314 A CB -2.317 16.290 19.000 -0.655 0.000 1.126 314 A HN 1.291 nan 8.150 nan 0.000 0.368 315 T N -1.074 113.360 114.554 -0.201 0.000 3.155 315 T HA -0.090 4.260 4.350 0.001 0.000 0.264 315 T C 1.227 175.836 174.700 -0.151 0.000 1.160 315 T CA 0.965 62.977 62.100 -0.147 0.000 1.075 315 T CB -0.565 68.237 68.868 -0.110 0.000 0.921 315 T HN 0.910 nan 8.240 nan 0.000 0.533 316 N N 1.054 119.654 118.700 -0.167 0.000 2.521 316 N HA 0.040 4.780 4.740 0.001 0.000 0.188 316 N C 0.359 175.772 175.510 -0.162 0.000 1.146 316 N CA 0.018 52.971 53.050 -0.163 0.000 0.893 316 N CB 0.069 38.462 38.487 -0.158 0.000 0.975 316 N HN 0.389 nan 8.380 nan 0.000 0.451 317 L N 1.156 122.285 121.223 -0.157 0.000 2.476 317 L HA 0.436 4.776 4.340 0.001 0.000 0.269 317 L C -1.570 175.207 176.870 -0.155 0.000 0.965 317 L CA -0.686 54.068 54.840 -0.143 0.000 0.845 317 L CB 2.078 44.068 42.059 -0.114 0.000 1.259 317 L HN -0.302 nan 8.230 nan 0.000 0.403 318 V N 3.743 123.557 119.914 -0.167 0.000 2.439 318 V HA 0.595 4.716 4.120 0.001 0.000 0.282 318 V C 0.375 176.300 176.094 -0.281 0.000 1.039 318 V CA -0.317 61.861 62.300 -0.203 0.000 0.913 318 V CB 1.852 33.559 31.823 -0.194 0.000 0.983 318 V HN 0.876 nan 8.190 nan 0.000 0.460 319 T N 1.845 116.146 114.554 -0.422 0.000 2.847 319 T HA 0.858 5.208 4.350 0.001 0.000 0.291 319 T C -0.548 173.627 174.700 -0.875 0.000 0.998 319 T CA -0.480 61.110 62.100 -0.851 0.000 0.967 319 T CB 1.566 69.743 68.868 -1.153 0.000 0.954 319 T HN 1.050 nan 8.240 nan 0.000 0.441 320 A N 3.222 125.609 122.820 -0.722 0.000 2.515 320 A HA 0.792 5.113 4.320 0.001 0.000 0.298 320 A C -1.010 176.447 177.584 -0.211 0.000 1.059 320 A CA -1.027 50.779 52.037 -0.384 0.000 0.698 320 A CB 1.209 20.149 19.000 -0.099 0.000 1.289 320 A HN 0.785 nan 8.150 nan 0.000 0.404 321 F N 1.004 120.905 119.950 -0.081 0.000 2.375 321 F HA 0.623 5.151 4.527 0.001 0.000 0.333 321 F C 0.926 176.483 175.800 -0.407 0.000 1.104 321 F CA 0.955 58.747 58.000 -0.346 0.000 1.149 321 F CB 1.741 40.102 39.000 -1.065 0.000 1.190 321 F HN 0.914 nan 8.300 nan 0.000 0.533 322 A N 3.273 126.124 122.820 0.053 0.000 2.506 322 A HA 0.870 5.191 4.320 0.001 0.000 0.305 322 A C -1.250 176.577 177.584 0.406 0.000 1.166 322 A CA -1.040 51.174 52.037 0.295 0.000 0.638 322 A CB 1.724 20.867 19.000 0.239 0.000 1.336 322 A HN 0.711 nan 8.150 nan 0.000 0.493 323 R N -0.923 119.773 120.500 0.327 0.000 2.725 323 R HA 0.668 5.009 4.340 0.001 0.000 0.277 323 R C -1.932 174.409 176.300 0.069 0.000 0.987 323 R CA -0.747 55.469 56.100 0.193 0.000 0.901 323 R CB 2.477 32.888 30.300 0.184 0.000 1.207 323 R HN 0.437 nan 8.270 nan 0.000 0.463 324 V N 2.233 122.140 119.914 -0.012 0.000 2.482 324 V HA 0.214 4.334 4.120 0.001 0.000 0.295 324 V C -0.057 175.974 176.094 -0.105 0.000 1.026 324 V CA -0.856 61.417 62.300 -0.045 0.000 0.856 324 V CB 1.308 33.127 31.823 -0.007 0.000 1.001 324 V HN 0.954 nan 8.190 nan 0.000 0.424 325 N N 3.813 122.451 118.700 -0.104 0.000 2.735 325 N HA -0.237 4.504 4.740 0.001 0.000 0.248 325 N C 1.134 176.567 175.510 -0.127 0.000 1.083 325 N CA 0.691 53.698 53.050 -0.073 0.000 0.703 325 N CB -0.810 37.671 38.487 -0.010 0.000 1.005 325 N HN 1.421 nan 8.380 nan 0.000 0.550 326 G N -0.154 108.559 108.800 -0.145 0.000 2.205 326 G HA2 -0.407 3.554 3.960 0.001 0.000 0.261 326 G HA3 -0.407 3.554 3.960 0.001 0.000 0.261 326 G C 0.123 174.670 174.900 -0.588 0.000 0.980 326 G CA 0.530 45.522 45.100 -0.179 0.000 0.632 326 G HN 0.588 nan 8.290 nan 0.000 0.533 327 R N 1.239 121.226 120.500 -0.855 0.000 2.308 327 R HA 0.518 4.859 4.340 0.001 0.000 0.305 327 R C 0.152 176.341 176.300 -0.185 0.000 1.053 327 R CA -0.013 55.579 56.100 -0.847 0.000 0.957 327 R CB 0.354 30.232 30.300 -0.704 0.000 1.022 327 R HN 0.155 nan 8.270 nan 0.000 0.461 328 S N 2.801 118.500 115.700 -0.003 0.000 2.549 328 S HA 0.191 4.661 4.470 0.001 0.000 0.286 328 S C -0.233 174.490 174.600 0.204 0.000 1.314 328 S CA -0.466 57.867 58.200 0.222 0.000 1.062 328 S CB 0.856 64.216 63.200 0.267 0.000 0.865 328 S HN 0.479 nan 8.310 nan 0.000 0.498 329 V N 0.491 120.564 119.914 0.265 0.000 3.114 329 V HA 1.009 5.130 4.120 0.001 0.000 0.308 329 V C 0.005 176.297 176.094 0.330 0.000 1.168 329 V CA -1.031 61.413 62.300 0.240 0.000 1.015 329 V CB 1.757 33.681 31.823 0.169 0.000 1.050 329 V HN 0.821 nan 8.190 nan 0.000 0.433 330 G N 1.925 110.905 108.800 0.300 0.000 2.416 330 G HA2 0.730 4.690 3.960 0.001 0.000 0.324 330 G HA3 0.730 4.690 3.960 0.001 0.000 0.324 330 G C -1.026 174.100 174.900 0.378 0.000 1.194 330 G CA -0.723 44.617 45.100 0.400 0.000 0.922 330 G HN 0.803 nan 8.290 nan 0.000 0.467 331 I N 1.742 122.493 120.570 0.301 0.000 2.404 331 I HA 0.360 4.531 4.170 0.001 0.000 0.293 331 I C -0.544 175.600 176.117 0.046 0.000 0.992 331 I CA -0.962 60.415 61.300 0.128 0.000 1.149 331 I CB 2.387 40.393 38.000 0.009 0.000 1.315 331 I HN 0.058 nan 8.210 nan 0.000 0.446 332 V N 5.633 125.597 119.914 0.083 0.000 2.407 332 V HA 0.778 4.899 4.120 0.001 0.000 0.291 332 V C -0.208 175.880 176.094 -0.010 0.000 1.018 332 V CA -0.415 61.911 62.300 0.044 0.000 0.842 332 V CB 1.377 33.332 31.823 0.221 0.000 0.996 332 V HN 0.824 nan 8.190 nan 0.000 0.426 333 A N 4.036 126.808 122.820 -0.080 0.000 2.455 333 A HA 0.720 5.040 4.320 0.001 0.000 0.300 333 A C -0.518 176.993 177.584 -0.122 0.000 1.040 333 A CA -0.833 51.146 52.037 -0.098 0.000 0.697 333 A CB 1.063 19.991 19.000 -0.120 0.000 1.265 333 A HN 0.823 nan 8.150 nan 0.000 0.407 334 N N 1.143 119.769 118.700 -0.125 0.000 2.492 334 N HA 0.350 5.091 4.740 0.001 0.000 0.260 334 N C -0.223 175.170 175.510 -0.195 0.000 1.215 334 N CA 0.114 53.071 53.050 -0.154 0.000 0.923 334 N CB 0.536 38.930 38.487 -0.156 0.000 1.092 334 N HN 0.616 nan 8.380 nan 0.000 0.448 335 Q N 2.868 122.540 119.800 -0.213 0.000 2.462 335 Q HA 0.340 4.680 4.340 0.001 0.000 0.247 335 Q C -2.317 173.506 176.000 -0.295 0.000 1.044 335 Q CA -2.183 53.468 55.803 -0.254 0.000 0.803 335 Q CB 1.417 30.037 28.738 -0.197 0.000 1.190 335 Q HN 0.354 nan 8.270 nan 0.000 0.507 336 P HA -0.117 nan 4.420 nan 0.000 0.225 336 P C 0.603 177.720 177.300 -0.306 0.000 1.148 336 P CA 1.113 63.971 63.100 -0.403 0.000 0.779 336 P CB 0.331 31.651 31.700 -0.634 0.000 0.780 337 S N -2.111 113.410 115.700 -0.298 0.000 2.522 337 S HA 0.041 4.511 4.470 0.001 0.000 0.227 337 S C 0.654 175.170 174.600 -0.139 0.000 0.986 337 S CA 0.132 58.220 58.200 -0.186 0.000 0.929 337 S CB -0.656 62.451 63.200 -0.155 0.000 0.769 337 S HN -0.111 nan 8.310 nan 0.000 0.529 338 V N 2.101 121.923 119.914 -0.153 0.000 2.443 338 V HA 0.440 4.561 4.120 0.001 0.000 0.293 338 V C 0.000 176.017 176.094 -0.129 0.000 1.021 338 V CA -0.800 61.424 62.300 -0.127 0.000 0.848 338 V CB 0.759 32.506 31.823 -0.127 0.000 0.998 338 V HN 0.517 nan 8.190 nan 0.000 0.424 339 M N 2.821 122.356 119.600 -0.108 0.000 2.461 339 M HA -0.250 4.231 4.480 0.001 0.000 0.203 339 M C 0.880 177.114 176.300 -0.111 0.000 0.428 339 M CA 0.878 56.118 55.300 -0.100 0.000 0.509 339 M CB -1.735 30.803 32.600 -0.103 0.000 1.851 339 M HN 0.845 nan 8.290 nan 0.000 0.834 340 S N -1.603 114.027 115.700 -0.117 0.000 3.473 340 S HA -0.167 4.303 4.470 0.001 0.000 0.339 340 S C 1.292 175.796 174.600 -0.160 0.000 1.148 340 S CA 1.506 59.629 58.200 -0.129 0.000 0.969 340 S CB -1.692 61.446 63.200 -0.103 0.000 0.936 340 S HN 1.702 nan 8.310 nan 0.000 0.530 341 G N -1.196 107.499 108.800 -0.175 0.000 2.168 341 G HA2 -0.388 3.572 3.960 0.001 0.000 0.263 341 G HA3 -0.388 3.572 3.960 0.001 0.000 0.263 341 G C 0.440 175.228 174.900 -0.187 0.000 0.977 341 G CA 0.114 45.098 45.100 -0.193 0.000 0.659 341 G HN 0.984 nan 8.290 nan 0.000 0.533 342 C N 0.430 119.630 119.300 -0.167 0.000 2.702 342 C HA 0.454 4.914 4.460 0.001 0.000 0.411 342 C C 1.419 176.291 174.990 -0.196 0.000 1.286 342 C CA -0.205 58.708 59.018 -0.175 0.000 1.979 342 C CB -0.189 27.483 27.740 -0.114 0.000 2.728 342 C HN 0.489 nan 8.230 nan 0.000 0.652 343 L N 3.604 124.650 121.223 -0.295 0.000 2.360 343 L HA 0.504 4.845 4.340 0.001 0.000 0.271 343 L C 0.088 176.925 176.870 -0.053 0.000 1.057 343 L CA 0.087 54.767 54.840 -0.267 0.000 0.803 343 L CB 1.108 42.812 42.059 -0.591 0.000 1.207 343 L HN 0.803 nan 8.230 nan 0.000 0.445 344 D N 1.044 121.473 120.400 0.050 0.000 2.744 344 D HA 0.248 4.888 4.640 0.001 0.000 0.304 344 D C 0.875 177.235 176.300 0.100 0.000 1.179 344 D CA -0.676 53.388 54.000 0.107 0.000 1.024 344 D CB 0.793 41.589 40.800 -0.008 0.000 1.453 344 D HN 0.307 nan 8.370 nan 0.000 0.529 345 I N 0.025 120.606 120.570 0.018 0.000 2.091 345 I HA -0.325 3.845 4.170 0.001 0.000 0.239 345 I C 1.778 177.882 176.117 -0.021 0.000 1.061 345 I CA 1.543 62.803 61.300 -0.066 0.000 1.317 345 I CB -0.471 37.365 38.000 -0.272 0.000 1.031 345 I HN 0.319 nan 8.210 nan 0.000 0.401 346 N N 0.958 119.620 118.700 -0.063 0.000 2.120 346 N HA -0.126 4.615 4.740 0.001 0.000 0.188 346 N C 1.805 177.285 175.510 -0.050 0.000 1.024 346 N CA 1.614 54.631 53.050 -0.057 0.000 0.852 346 N CB -0.480 37.828 38.487 -0.299 0.000 1.003 346 N HN 0.390 nan 8.380 nan 0.000 0.424 347 A N 0.227 122.996 122.820 -0.086 0.000 1.969 347 A HA -0.029 4.292 4.320 0.001 0.000 0.218 347 A C 2.429 180.045 177.584 0.054 0.000 1.169 347 A CA 1.377 53.381 52.037 -0.055 0.000 0.635 347 A CB -0.545 18.406 19.000 -0.082 0.000 0.810 347 A HN 0.230 nan 8.150 nan 0.000 0.445 348 S N 0.267 116.035 115.700 0.115 0.000 2.356 348 S HA -0.154 4.317 4.470 0.001 0.000 0.223 348 S C 1.634 176.340 174.600 0.178 0.000 1.032 348 S CA 1.440 59.748 58.200 0.180 0.000 1.005 348 S CB -0.384 62.957 63.200 0.235 0.000 0.867 348 S HN 0.608 nan 8.310 nan 0.000 0.449 349 D N 0.974 121.490 120.400 0.194 0.000 2.117 349 D HA -0.090 4.551 4.640 0.001 0.000 0.197 349 D C 1.938 178.351 176.300 0.188 0.000 0.987 349 D CA 0.968 55.093 54.000 0.208 0.000 0.829 349 D CB -0.252 40.690 40.800 0.237 0.000 0.961 349 D HN 0.356 nan 8.370 nan 0.000 0.460 350 K N 0.672 121.183 120.400 0.185 0.000 2.057 350 K HA -0.113 4.207 4.320 0.001 0.000 0.207 350 K C 1.999 178.673 176.600 0.122 0.000 1.049 350 K CA 1.320 57.696 56.287 0.149 0.000 0.931 350 K CB -0.007 32.569 32.500 0.127 0.000 0.714 350 K HN 0.016 nan 8.250 nan 0.000 0.440 351 A N 1.010 123.896 122.820 0.111 0.000 1.873 351 A HA -0.046 4.275 4.320 0.001 0.000 0.215 351 A C 2.336 180.001 177.584 0.135 0.000 1.186 351 A CA 1.731 53.841 52.037 0.123 0.000 0.616 351 A CB -0.807 18.265 19.000 0.121 0.000 0.823 351 A HN 0.475 nan 8.150 nan 0.000 0.442 352 A N -0.323 122.584 122.820 0.144 0.000 1.902 352 A HA -0.207 4.114 4.320 0.001 0.000 0.217 352 A C 2.055 179.724 177.584 0.141 0.000 1.181 352 A CA 1.857 53.986 52.037 0.154 0.000 0.623 352 A CB -0.577 18.596 19.000 0.289 0.000 0.818 352 A HN 0.677 nan 8.150 nan 0.000 0.443 353 E N -1.473 118.830 120.200 0.172 0.000 2.077 353 E HA -0.206 4.144 4.350 0.001 0.000 0.193 353 E C 1.770 178.476 176.600 0.176 0.000 0.989 353 E CA 1.318 57.801 56.400 0.138 0.000 0.800 353 E CB -0.243 29.544 29.700 0.146 0.000 0.746 353 E HN 0.587 nan 8.360 nan 0.000 0.452 354 F N 0.805 120.787 119.950 0.053 0.000 2.113 354 F HA -0.168 4.359 4.527 0.001 0.000 0.297 354 F C 2.091 177.944 175.800 0.088 0.000 1.103 354 F CA 1.158 59.204 58.000 0.075 0.000 1.248 354 F CB -0.424 38.573 39.000 -0.004 0.000 0.999 354 F HN -0.132 nan 8.300 nan 0.000 0.475 355 V N 0.854 120.771 119.914 0.005 0.000 2.287 355 V HA -0.376 3.745 4.120 0.001 0.000 0.248 355 V C 2.045 178.046 176.094 -0.156 0.000 1.053 355 V CA 2.504 64.685 62.300 -0.198 0.000 1.027 355 V CB -1.022 30.516 31.823 -0.475 0.000 0.646 355 V HN 0.403 nan 8.190 nan 0.000 0.447 356 N N -0.716 117.925 118.700 -0.098 0.000 2.104 356 N HA -0.212 4.528 4.740 0.001 0.000 0.190 356 N C 1.835 177.294 175.510 -0.085 0.000 1.024 356 N CA 1.582 54.563 53.050 -0.115 0.000 0.853 356 N CB -0.249 38.132 38.487 -0.176 0.000 1.008 356 N HN 0.510 nan 8.380 nan 0.000 0.424 357 F N 1.688 121.575 119.950 -0.105 0.000 2.075 357 F HA -0.192 4.336 4.527 0.001 0.000 0.297 357 F C 2.315 178.154 175.800 0.065 0.000 1.113 357 F CA 1.119 59.121 58.000 0.003 0.000 1.218 357 F CB -0.571 38.445 39.000 0.027 0.000 0.984 357 F HN 0.054 nan 8.300 nan 0.000 0.472 358 C N 0.529 119.826 119.300 -0.005 0.000 2.401 358 C HA -0.228 4.232 4.460 0.001 0.000 0.276 358 C C 2.560 177.481 174.990 -0.115 0.000 1.233 358 C CA 1.708 60.701 59.018 -0.042 0.000 1.753 358 C CB -1.335 26.321 27.740 -0.140 0.000 2.029 358 C HN 0.651 nan 8.230 nan 0.000 0.478 359 D N 0.426 120.741 120.400 -0.142 0.000 2.117 359 D HA -0.111 4.530 4.640 0.001 0.000 0.197 359 D C 2.212 178.375 176.300 -0.229 0.000 0.987 359 D CA 1.593 55.510 54.000 -0.138 0.000 0.829 359 D CB -0.089 40.638 40.800 -0.123 0.000 0.961 359 D HN 0.336 nan 8.370 nan 0.000 0.460 360 S N -1.135 114.347 115.700 -0.363 0.000 2.400 360 S HA -0.101 4.370 4.470 0.001 0.000 0.232 360 S C 1.008 175.107 174.600 -0.835 0.000 1.025 360 S CA 0.712 58.546 58.200 -0.608 0.000 0.993 360 S CB -0.261 62.472 63.200 -0.779 0.000 0.808 360 S HN 0.332 nan 8.310 nan 0.000 0.478 361 F N 1.606 121.338 119.950 -0.363 0.000 2.772 361 F HA 0.354 4.881 4.527 0.001 0.000 0.302 361 F C 0.446 176.178 175.800 -0.114 0.000 1.136 361 F CA -0.552 57.294 58.000 -0.257 0.000 1.322 361 F CB -0.145 38.629 39.000 -0.377 0.000 0.967 361 F HN 0.011 nan 8.300 nan 0.000 0.513 362 N N 1.040 119.731 118.700 -0.015 0.000 2.735 362 N HA -0.223 4.517 4.740 0.001 0.000 0.248 362 N C -0.463 175.102 175.510 0.091 0.000 1.083 362 N CA 0.647 53.719 53.050 0.038 0.000 0.703 362 N CB -1.748 36.774 38.487 0.058 0.000 1.005 362 N HN 0.374 nan 8.380 nan 0.000 0.550 363 I N 0.947 121.574 120.570 0.095 0.000 2.321 363 I HA 0.260 4.431 4.170 0.001 0.000 0.291 363 I C -1.994 174.193 176.117 0.116 0.000 0.998 363 I CA -1.886 59.500 61.300 0.143 0.000 1.227 363 I CB 1.328 39.459 38.000 0.219 0.000 1.368 363 I HN -0.286 nan 8.210 nan 0.000 0.466 364 P HA 0.130 nan 4.420 nan 0.000 0.268 364 P C -0.944 176.434 177.300 0.130 0.000 1.208 364 P CA 0.004 63.175 63.100 0.117 0.000 0.777 364 P CB 0.550 32.324 31.700 0.124 0.000 0.875 365 L N 2.077 123.378 121.223 0.130 0.000 2.333 365 L HA 0.449 4.790 4.340 0.001 0.000 0.280 365 L C -0.649 176.315 176.870 0.155 0.000 1.004 365 L CA -0.841 54.104 54.840 0.176 0.000 0.820 365 L CB 1.827 44.033 42.059 0.244 0.000 1.247 365 L HN 0.041 nan 8.230 nan 0.000 0.416 366 V N 2.972 122.982 119.914 0.159 0.000 2.409 366 V HA 0.393 4.514 4.120 0.001 0.000 0.291 366 V C -0.436 175.713 176.094 0.092 0.000 1.020 366 V CA -0.690 61.675 62.300 0.109 0.000 0.848 366 V CB 1.655 33.538 31.823 0.100 0.000 0.990 366 V HN 0.659 nan 8.190 nan 0.000 0.430 367 Q N 4.219 124.044 119.800 0.042 0.000 2.282 367 Q HA 0.702 5.042 4.340 0.001 0.000 0.260 367 Q C -0.995 174.984 176.000 -0.035 0.000 0.964 367 Q CA -0.175 55.631 55.803 0.004 0.000 0.880 367 Q CB 2.204 30.905 28.738 -0.062 0.000 1.286 367 Q HN 0.665 nan 8.270 nan 0.000 0.445 368 L N 2.370 123.556 121.223 -0.063 0.000 2.342 368 L HA 0.572 4.913 4.340 0.001 0.000 0.276 368 L C -0.981 175.816 176.870 -0.122 0.000 0.997 368 L CA -1.025 53.740 54.840 -0.124 0.000 0.838 368 L CB 1.355 43.333 42.059 -0.135 0.000 1.224 368 L HN 0.295 nan 8.230 nan 0.000 0.416 369 V N 1.918 121.753 119.914 -0.131 0.000 2.394 369 V HA 0.446 4.566 4.120 0.001 0.000 0.282 369 V C -0.491 175.537 176.094 -0.111 0.000 1.031 369 V CA -0.252 61.993 62.300 -0.093 0.000 0.881 369 V CB 1.758 33.570 31.823 -0.019 0.000 0.982 369 V HN 0.656 nan 8.190 nan 0.000 0.451 370 D N 3.520 123.860 120.400 -0.101 0.000 2.634 370 D HA 0.235 4.875 4.640 0.001 0.000 0.236 370 D C -1.579 174.633 176.300 -0.146 0.000 1.323 370 D CA 0.025 53.965 54.000 -0.101 0.000 0.884 370 D CB 1.579 42.359 40.800 -0.032 0.000 1.496 370 D HN 0.371 nan 8.370 nan 0.000 0.525 371 V N 4.297 124.113 119.914 -0.163 0.000 2.577 371 V HA 0.596 4.716 4.120 0.001 0.000 0.303 371 V C -2.076 173.857 176.094 -0.269 0.000 1.042 371 V CA -1.980 60.200 62.300 -0.199 0.000 0.872 371 V CB 2.732 34.449 31.823 -0.177 0.000 0.998 371 V HN 0.154 nan 8.190 nan 0.000 0.423 372 P HA 0.326 nan 4.420 nan 0.000 0.255 372 P C 0.513 177.734 177.300 -0.132 0.000 1.248 372 P CA 1.124 63.982 63.100 -0.404 0.000 0.807 372 P CB 0.407 31.925 31.700 -0.304 0.000 1.150 373 G N -0.403 108.329 108.800 -0.113 0.000 2.347 373 G HA2 0.026 3.986 3.960 0.001 0.000 0.341 373 G HA3 0.026 3.986 3.960 0.001 0.000 0.341 373 G C -1.383 173.423 174.900 -0.156 0.000 1.287 373 G CA -1.049 44.034 45.100 -0.028 0.000 0.984 373 G HN -0.056 nan 8.290 nan 0.000 0.526 374 F N -0.338 119.626 119.950 0.024 0.000 2.406 374 F HA 0.547 5.074 4.527 0.001 0.000 0.327 374 F C 1.104 176.897 175.800 -0.011 0.000 1.153 374 F CA -0.286 57.717 58.000 0.004 0.000 1.218 374 F CB 1.051 40.058 39.000 0.012 0.000 1.215 374 F HN 0.428 nan 8.300 nan 0.000 0.570 375 L N 5.205 126.510 121.223 0.138 0.000 2.562 375 L HA 0.225 4.565 4.340 0.001 0.000 0.271 375 L C -2.400 174.505 176.870 0.058 0.000 1.167 375 L CA -1.428 53.445 54.840 0.054 0.000 0.917 375 L CB -0.443 41.627 42.059 0.017 0.000 1.187 375 L HN 0.260 nan 8.230 nan 0.000 0.482 376 P HA 0.491 nan 4.420 nan 0.000 0.276 376 P C -0.666 176.628 177.300 -0.011 0.000 1.235 376 P CA -0.226 62.884 63.100 0.018 0.000 0.772 376 P CB 1.099 32.806 31.700 0.013 0.000 0.871 377 G N 1.109 109.893 108.800 -0.027 0.000 2.476 377 G HA2 0.160 4.120 3.960 0.001 0.000 0.309 377 G HA3 0.160 4.120 3.960 0.001 0.000 0.309 377 G C 0.361 175.203 174.900 -0.097 0.000 1.575 377 G CA -0.586 44.479 45.100 -0.058 0.000 0.913 377 G HN 0.223 nan 8.290 nan 0.000 0.623 378 V N 1.654 121.475 119.914 -0.156 0.000 2.469 378 V HA -0.194 3.927 4.120 0.001 0.000 0.251 378 V C 2.726 178.621 176.094 -0.333 0.000 1.064 378 V CA 2.119 64.241 62.300 -0.295 0.000 1.066 378 V CB -0.127 31.460 31.823 -0.393 0.000 0.667 378 V HN 0.687 nan 8.190 nan 0.000 0.461 379 Q N -0.893 118.790 119.800 -0.196 0.000 2.297 379 Q HA -0.117 4.224 4.340 0.001 0.000 0.204 379 Q C 2.287 178.269 176.000 -0.031 0.000 0.962 379 Q CA 0.958 56.702 55.803 -0.098 0.000 0.879 379 Q CB -0.260 28.439 28.738 -0.066 0.000 0.947 379 Q HN 0.613 nan 8.270 nan 0.000 0.462 380 Q N 0.347 120.122 119.800 -0.041 0.000 2.123 380 Q HA -0.101 4.239 4.340 0.001 0.000 0.199 380 Q C 1.772 177.776 176.000 0.007 0.000 0.966 380 Q CA 0.873 56.665 55.803 -0.020 0.000 0.845 380 Q CB 0.208 28.942 28.738 -0.007 0.000 0.907 380 Q HN 0.417 nan 8.270 nan 0.000 0.439 381 E N -0.214 120.000 120.200 0.022 0.000 2.072 381 E HA -0.121 4.229 4.350 0.001 0.000 0.190 381 E C 1.884 178.613 176.600 0.213 0.000 0.982 381 E CA 0.776 57.227 56.400 0.086 0.000 0.803 381 E CB -0.249 29.503 29.700 0.086 0.000 0.755 381 E HN 0.375 nan 8.360 nan 0.000 0.453 382 Y N 0.798 121.083 120.300 -0.025 0.000 2.421 382 Y HA 0.025 4.575 4.550 0.001 0.000 0.292 382 Y C 2.384 178.272 175.900 -0.021 0.000 1.136 382 Y CA 0.837 58.925 58.100 -0.020 0.000 1.255 382 Y CB -0.742 37.706 38.460 -0.019 0.000 0.991 382 Y HN 0.055 nan 8.280 nan 0.000 0.552 383 G N -1.273 107.600 108.800 0.122 0.000 2.813 383 G HA2 0.269 4.230 3.960 0.001 0.000 0.209 383 G HA3 0.269 4.230 3.960 0.001 0.000 0.209 383 G C 1.118 176.033 174.900 0.025 0.000 1.150 383 G CA 0.365 45.481 45.100 0.027 0.000 0.785 383 G HN 0.519 nan 8.290 nan 0.000 0.535 384 G N 0.101 108.943 108.800 0.071 0.000 2.325 384 G HA2 -0.231 3.729 3.960 0.001 0.000 0.248 384 G HA3 -0.231 3.729 3.960 0.001 0.000 0.248 384 G C 0.836 175.848 174.900 0.187 0.000 1.108 384 G CA 0.216 45.394 45.100 0.130 0.000 0.881 384 G HN 0.535 nan 8.290 nan 0.000 0.494 385 I N -0.034 120.564 120.570 0.047 0.000 2.454 385 I HA -0.014 4.157 4.170 0.001 0.000 0.254 385 I C 2.389 178.468 176.117 -0.064 0.000 1.156 385 I CA 1.352 62.648 61.300 -0.007 0.000 1.433 385 I CB -0.185 37.772 38.000 -0.072 0.000 1.082 385 I HN 0.531 nan 8.210 nan 0.000 0.432 386 I N 1.134 121.668 120.570 -0.060 0.000 2.142 386 I HA -0.311 3.859 4.170 0.001 0.000 0.240 386 I C 2.614 178.677 176.117 -0.091 0.000 1.078 386 I CA 1.859 63.098 61.300 -0.102 0.000 1.343 386 I CB -0.520 37.438 38.000 -0.070 0.000 1.046 386 I HN 0.313 nan 8.210 nan 0.000 0.405 387 R N -0.132 120.329 120.500 -0.065 0.000 2.193 387 R HA -0.082 4.258 4.340 0.001 0.000 0.213 387 R C 1.855 178.019 176.300 -0.227 0.000 1.055 387 R CA 1.137 57.145 56.100 -0.153 0.000 0.995 387 R CB -0.585 29.601 30.300 -0.190 0.000 0.893 387 R HN 0.392 nan 8.270 nan 0.000 0.459 388 H N 0.737 119.740 119.070 -0.112 0.000 2.384 388 H HA 0.140 4.696 4.556 0.001 0.000 0.300 388 H C 2.270 177.570 175.328 -0.048 0.000 1.057 388 H CA 1.761 57.761 56.048 -0.081 0.000 1.370 388 H CB -0.219 29.524 29.762 -0.031 0.000 1.417 388 H HN 0.412 nan 8.280 nan 0.000 0.527 389 G N 0.209 109.037 108.800 0.046 0.000 2.422 389 G HA2 -0.224 3.736 3.960 0.001 0.000 0.218 389 G HA3 -0.224 3.736 3.960 0.001 0.000 0.218 389 G C 1.865 176.789 174.900 0.039 0.000 1.140 389 G CA 0.727 45.848 45.100 0.035 0.000 0.775 389 G HN 0.502 nan 8.290 nan 0.000 0.545 390 A N 1.009 123.804 122.820 -0.041 0.000 1.978 390 A HA -0.039 4.282 4.320 0.001 0.000 0.220 390 A C 2.263 179.860 177.584 0.020 0.000 1.170 390 A CA 1.889 53.913 52.037 -0.020 0.000 0.636 390 A CB -0.339 18.614 19.000 -0.079 0.000 0.810 390 A HN 0.404 nan 8.150 nan 0.000 0.448 391 K N -0.933 119.429 120.400 -0.062 0.000 2.152 391 K HA -0.129 4.191 4.320 0.001 0.000 0.206 391 K C 1.983 178.713 176.600 0.217 0.000 1.048 391 K CA 1.747 58.003 56.287 -0.052 0.000 0.933 391 K CB -0.289 32.129 32.500 -0.138 0.000 0.721 391 K HN 0.548 nan 8.250 nan 0.000 0.447 392 M N 0.406 120.126 119.600 0.201 0.000 2.156 392 M HA -0.114 4.367 4.480 0.001 0.000 0.264 392 M C 2.080 178.555 176.300 0.292 0.000 1.067 392 M CA 1.412 56.858 55.300 0.243 0.000 1.131 392 M CB -0.208 32.562 32.600 0.283 0.000 1.368 392 M HN 0.087 nan 8.290 nan 0.000 0.416 393 L N -1.435 119.936 121.223 0.247 0.000 2.046 393 L HA -0.234 4.107 4.340 0.001 0.000 0.208 393 L C 2.526 179.518 176.870 0.203 0.000 1.077 393 L CA 1.474 56.437 54.840 0.204 0.000 0.747 393 L CB -0.836 41.304 42.059 0.136 0.000 0.896 393 L HN 0.250 nan 8.230 nan 0.000 0.432 394 Y N 0.587 120.960 120.300 0.121 0.000 2.133 394 Y HA -0.273 4.278 4.550 0.001 0.000 0.287 394 Y C 2.571 178.565 175.900 0.157 0.000 1.134 394 Y CA 1.509 59.694 58.100 0.142 0.000 1.133 394 Y CB -0.193 38.371 38.460 0.174 0.000 0.987 394 Y HN 0.094 nan 8.280 nan 0.000 0.502 395 A N -0.407 122.669 122.820 0.427 0.000 1.883 395 A HA -0.254 4.066 4.320 0.001 0.000 0.217 395 A C 2.080 179.667 177.584 0.005 0.000 1.186 395 A CA 1.994 54.143 52.037 0.187 0.000 0.624 395 A CB -1.559 17.482 19.000 0.068 0.000 0.822 395 A HN 0.709 nan 8.150 nan 0.000 0.444 396 Y N 0.186 120.527 120.300 0.069 0.000 2.242 396 Y HA -0.145 4.406 4.550 0.001 0.000 0.291 396 Y C 3.034 178.904 175.900 -0.049 0.000 1.137 396 Y CA 1.183 59.288 58.100 0.007 0.000 1.181 396 Y CB -0.013 38.452 38.460 0.008 0.000 0.989 396 Y HN 0.298 nan 8.280 nan 0.000 0.527 397 S N -0.362 115.384 115.700 0.077 0.000 2.402 397 S HA -0.198 4.272 4.470 0.001 0.000 0.229 397 S C 1.762 176.293 174.600 -0.115 0.000 1.021 397 S CA 1.475 59.650 58.200 -0.041 0.000 0.974 397 S CB -0.171 62.974 63.200 -0.093 0.000 0.800 397 S HN 0.406 nan 8.310 nan 0.000 0.484 398 E N 1.559 121.647 120.200 -0.186 0.000 2.230 398 E HA 0.246 4.596 4.350 0.001 0.000 0.192 398 E C 0.614 177.159 176.600 -0.091 0.000 0.987 398 E CA 0.308 56.589 56.400 -0.199 0.000 0.841 398 E CB -0.102 29.419 29.700 -0.298 0.000 0.783 398 E HN 0.420 nan 8.360 nan 0.000 0.481 399 A N 0.176 122.969 122.820 -0.046 0.000 2.477 399 A HA 0.225 4.546 4.320 0.001 0.000 0.246 399 A C 0.930 178.507 177.584 -0.013 0.000 1.078 399 A CA 0.559 52.582 52.037 -0.024 0.000 0.770 399 A CB 0.215 19.223 19.000 0.013 0.000 1.011 399 A HN 0.358 nan 8.150 nan 0.000 0.494 400 T N -0.411 114.131 114.554 -0.020 0.000 3.044 400 T HA 0.300 4.651 4.350 0.001 0.000 0.260 400 T C 0.617 175.322 174.700 0.009 0.000 1.019 400 T CA 0.478 62.573 62.100 -0.009 0.000 0.921 400 T CB -1.207 67.651 68.868 -0.016 0.000 1.053 400 T HN 1.076 nan 8.240 nan 0.000 0.533 401 V N -0.506 119.415 119.914 0.012 0.000 3.376 401 V HA 0.446 4.567 4.120 0.001 0.000 0.303 401 V C -2.769 173.350 176.094 0.042 0.000 1.100 401 V CA -2.333 59.988 62.300 0.035 0.000 1.126 401 V CB -0.355 31.491 31.823 0.038 0.000 1.085 401 V HN -0.020 nan 8.190 nan 0.000 0.480 402 P HA 0.316 nan 4.420 nan 0.000 0.268 402 P C -0.943 176.365 177.300 0.013 0.000 1.204 402 P CA 0.083 63.202 63.100 0.030 0.000 0.768 402 P CB 0.245 32.011 31.700 0.109 0.000 0.842 403 K N 3.356 123.722 120.400 -0.058 0.000 2.502 403 K HA 0.502 4.823 4.320 0.001 0.000 0.254 403 K C -0.798 175.748 176.600 -0.090 0.000 0.947 403 K CA -0.539 55.731 56.287 -0.028 0.000 0.834 403 K CB 1.411 33.899 32.500 -0.020 0.000 1.112 403 K HN 0.328 nan 8.250 nan 0.000 0.427 404 I N 2.504 123.058 120.570 -0.026 0.000 2.406 404 I HA 0.339 4.509 4.170 0.001 0.000 0.290 404 I C -0.178 175.937 176.117 -0.003 0.000 0.999 404 I CA -0.570 60.725 61.300 -0.009 0.000 1.124 404 I CB 1.653 39.703 38.000 0.084 0.000 1.289 404 I HN 0.503 nan 8.210 nan 0.000 0.441 405 T N 5.358 119.894 114.554 -0.030 0.000 2.848 405 T HA 0.598 4.948 4.350 0.001 0.000 0.285 405 T C -0.344 174.374 174.700 0.030 0.000 0.995 405 T CA -0.473 61.608 62.100 -0.033 0.000 0.970 405 T CB 2.408 71.214 68.868 -0.103 0.000 0.976 405 T HN 0.235 nan 8.240 nan 0.000 0.441 406 V N 3.705 123.632 119.914 0.022 0.000 2.444 406 V HA 0.392 4.512 4.120 0.001 0.000 0.294 406 V C -0.176 175.854 176.094 -0.107 0.000 1.022 406 V CA -0.811 61.502 62.300 0.022 0.000 0.850 406 V CB 1.847 33.670 31.823 -0.000 0.000 0.992 406 V HN 0.739 nan 8.190 nan 0.000 0.426 407 V N 6.832 126.700 119.914 -0.078 0.000 2.368 407 V HA 0.259 4.380 4.120 0.001 0.000 0.266 407 V C 1.008 176.946 176.094 -0.259 0.000 1.045 407 V CA -0.037 62.193 62.300 -0.118 0.000 0.899 407 V CB 1.029 32.829 31.823 -0.040 0.000 1.006 407 V HN 0.750 nan 8.190 nan 0.000 0.470 408 L N 3.361 124.343 121.223 -0.401 0.000 2.102 408 L HA 0.156 4.497 4.340 0.001 0.000 0.202 408 L C 1.938 178.711 176.870 -0.162 0.000 1.076 408 L CA 1.276 55.760 54.840 -0.594 0.000 0.761 408 L CB -0.121 41.542 42.059 -0.660 0.000 0.921 408 L HN 0.658 nan 8.230 nan 0.000 0.444 409 R N -1.299 119.142 120.500 -0.099 0.000 3.040 409 R HA 0.222 4.563 4.340 0.001 0.000 0.097 409 R C -0.478 175.794 176.300 -0.047 0.000 0.899 409 R CA -0.657 55.430 56.100 -0.022 0.000 0.710 409 R CB 0.639 30.950 30.300 0.018 0.000 0.643 409 R HN -0.246 nan 8.270 nan 0.000 0.353 410 K N 1.226 121.569 120.400 -0.095 0.000 2.448 410 K HA 0.291 4.611 4.320 0.001 0.000 0.278 410 K C -0.964 175.548 176.600 -0.145 0.000 1.009 410 K CA 0.483 56.647 56.287 -0.205 0.000 0.995 410 K CB 1.397 33.644 32.500 -0.420 0.000 0.917 410 K HN 0.525 nan 8.250 nan 0.000 0.481 411 A N 4.305 127.099 122.820 -0.043 0.000 3.307 411 A HA 0.264 4.585 4.320 0.001 0.000 0.289 411 A C -1.536 176.145 177.584 0.161 0.000 1.138 411 A CA -0.712 51.304 52.037 -0.036 0.000 0.860 411 A CB 0.177 18.971 19.000 -0.344 0.000 1.318 411 A HN 0.440 nan 8.150 nan 0.000 0.551 412 Y N 0.864 121.144 120.300 -0.032 0.000 2.326 412 Y HA 0.538 5.088 4.550 0.001 0.000 0.337 412 Y C 1.455 177.413 175.900 0.095 0.000 1.023 412 Y CA 0.137 58.243 58.100 0.011 0.000 1.143 412 Y CB 0.923 39.387 38.460 0.007 0.000 1.183 412 Y HN 1.081 nan 8.280 nan 0.000 0.485 413 G N 2.697 111.631 108.800 0.223 0.000 2.632 413 G HA2 -0.373 3.587 3.960 0.001 0.000 0.322 413 G HA3 -0.373 3.587 3.960 0.001 0.000 0.322 413 G C 1.446 176.496 174.900 0.250 0.000 1.326 413 G CA 0.620 45.840 45.100 0.200 0.000 0.986 413 G HN 1.075 nan 8.290 nan 0.000 0.541 414 G N -0.279 108.663 108.800 0.237 0.000 2.469 414 G HA2 -0.048 3.912 3.960 0.001 0.000 0.220 414 G HA3 -0.048 3.912 3.960 0.001 0.000 0.220 414 G C 2.320 177.440 174.900 0.367 0.000 1.136 414 G CA 2.879 48.148 45.100 0.281 0.000 0.759 414 G HN 1.967 nan 8.290 nan 0.000 0.562 415 S N -0.468 115.419 115.700 0.311 0.000 2.419 415 S HA -0.160 4.311 4.470 0.001 0.000 0.233 415 S C 2.118 176.742 174.600 0.039 0.000 1.016 415 S CA 1.359 59.522 58.200 -0.062 0.000 0.974 415 S CB -0.599 62.331 63.200 -0.449 0.000 0.786 415 S HN 0.657 nan 8.310 nan 0.000 0.492 416 Y N 2.112 122.417 120.300 0.008 0.000 2.220 416 Y HA 0.133 4.683 4.550 0.001 0.000 0.291 416 Y C 1.963 177.857 175.900 -0.009 0.000 1.129 416 Y CA 1.063 59.158 58.100 -0.009 0.000 1.161 416 Y CB -0.277 38.199 38.460 0.027 0.000 0.997 416 Y HN 0.174 nan 8.280 nan 0.000 0.522 417 L N 0.582 121.680 121.223 -0.208 0.000 2.083 417 L HA -0.193 4.147 4.340 0.001 0.000 0.209 417 L C 2.815 179.593 176.870 -0.153 0.000 1.083 417 L CA 1.101 55.757 54.840 -0.306 0.000 0.752 417 L CB -0.942 41.056 42.059 -0.101 0.000 0.899 417 L HN 0.407 nan 8.230 nan 0.000 0.433 418 A N -0.801 122.028 122.820 0.014 0.000 2.121 418 A HA -0.110 4.210 4.320 0.001 0.000 0.218 418 A C 1.983 179.607 177.584 0.068 0.000 1.154 418 A CA 1.075 53.187 52.037 0.126 0.000 0.679 418 A CB -0.227 18.934 19.000 0.268 0.000 0.795 418 A HN 0.295 nan 8.150 nan 0.000 0.458 419 M N -1.546 117.998 119.600 -0.093 0.000 2.530 419 M HA 0.165 4.646 4.480 0.001 0.000 0.231 419 M C 0.455 176.468 176.300 -0.479 0.000 1.180 419 M CA -0.230 54.966 55.300 -0.174 0.000 0.985 419 M CB -1.296 31.255 32.600 -0.083 0.000 1.623 419 M HN 0.538 nan 8.290 nan 0.000 0.475 420 C N 4.111 123.063 119.300 -0.580 0.000 3.106 420 C HA -0.154 4.307 4.460 0.001 0.000 0.292 420 C C 0.505 175.224 174.990 -0.453 0.000 1.009 420 C CA -0.143 58.483 59.018 -0.653 0.000 2.579 420 C CB -2.121 24.893 27.740 -1.210 0.000 1.535 420 C HN 0.843 nan 8.230 nan 0.000 0.470 421 N N 2.867 121.299 118.700 -0.447 0.000 2.495 421 N HA 0.302 5.043 4.740 0.001 0.000 0.294 421 N C 1.174 176.544 175.510 -0.233 0.000 1.276 421 N CA 0.130 52.955 53.050 -0.376 0.000 0.973 421 N CB 0.151 38.263 38.487 -0.625 0.000 1.143 421 N HN 0.747 nan 8.380 nan 0.000 0.589 422 R N -0.686 119.723 120.500 -0.152 0.000 2.105 422 R HA -0.106 4.235 4.340 0.001 0.000 0.239 422 R C 0.517 176.753 176.300 -0.106 0.000 1.135 422 R CA 1.599 57.628 56.100 -0.119 0.000 0.967 422 R CB -0.233 30.019 30.300 -0.080 0.000 0.861 422 R HN 0.578 nan 8.270 nan 0.000 0.442 423 D N 0.268 120.606 120.400 -0.104 0.000 2.263 423 D HA -0.142 4.498 4.640 0.001 0.000 0.208 423 D C 1.031 177.278 176.300 -0.088 0.000 0.971 423 D CA 0.899 54.849 54.000 -0.082 0.000 0.867 423 D CB 0.154 40.910 40.800 -0.073 0.000 0.929 423 D HN 0.198 nan 8.370 nan 0.000 0.492 424 L N -0.581 120.570 121.223 -0.120 0.000 2.685 424 L HA 0.260 4.600 4.340 0.001 0.000 0.233 424 L C 1.374 178.195 176.870 -0.081 0.000 1.173 424 L CA 0.244 55.028 54.840 -0.093 0.000 0.961 424 L CB 0.312 42.307 42.059 -0.107 0.000 1.217 424 L HN 0.084 nan 8.230 nan 0.000 0.478 425 G N -1.079 107.666 108.800 -0.091 0.000 2.131 425 G HA2 -0.209 3.752 3.960 0.001 0.000 0.223 425 G HA3 -0.209 3.752 3.960 0.001 0.000 0.223 425 G C 0.508 175.337 174.900 -0.119 0.000 0.990 425 G CA -0.071 44.978 45.100 -0.085 0.000 0.671 425 G HN 0.606 nan 8.290 nan 0.000 0.521 426 A N 0.168 122.895 122.820 -0.155 0.000 2.520 426 A HA 0.501 4.821 4.320 0.001 0.000 0.245 426 A C 1.238 178.688 177.584 -0.224 0.000 1.072 426 A CA 0.840 52.764 52.037 -0.188 0.000 0.761 426 A CB 0.288 19.168 19.000 -0.201 0.000 1.004 426 A HN 0.277 nan 8.150 nan 0.000 0.499 427 D N 1.008 121.211 120.400 -0.328 0.000 2.234 427 D HA 0.213 4.854 4.640 0.001 0.000 0.205 427 D C 0.620 176.642 176.300 -0.464 0.000 0.962 427 D CA 1.707 55.373 54.000 -0.557 0.000 0.855 427 D CB 0.246 40.343 40.800 -1.171 0.000 0.951 427 D HN 0.690 nan 8.370 nan 0.000 0.500 428 A N 0.414 123.027 122.820 -0.345 0.000 2.488 428 A HA 0.542 4.863 4.320 0.001 0.000 0.298 428 A C -1.153 176.188 177.584 -0.406 0.000 1.044 428 A CA -0.548 51.291 52.037 -0.330 0.000 0.693 428 A CB 1.960 20.850 19.000 -0.183 0.000 1.272 428 A HN -0.096 nan 8.150 nan 0.000 0.402 429 V N 2.083 121.667 119.914 -0.550 0.000 2.638 429 V HA 0.567 4.688 4.120 0.001 0.000 0.306 429 V C -1.406 174.349 176.094 -0.565 0.000 1.052 429 V CA -0.484 61.578 62.300 -0.398 0.000 0.885 429 V CB 1.379 33.094 31.823 -0.180 0.000 0.999 429 V HN 0.814 nan 8.190 nan 0.000 0.424 430 Y N 1.875 122.196 120.300 0.034 0.000 2.446 430 Y HA 0.807 5.357 4.550 0.001 0.000 0.345 430 Y C 0.317 176.256 175.900 0.065 0.000 0.984 430 Y CA -0.814 57.321 58.100 0.058 0.000 1.058 430 Y CB 2.277 40.792 38.460 0.092 0.000 1.220 430 Y HN 0.739 nan 8.280 nan 0.000 0.455 431 A N 2.341 125.289 122.820 0.214 0.000 2.318 431 A HA 0.599 4.920 4.320 0.001 0.000 0.324 431 A C -1.406 176.336 177.584 0.264 0.000 1.170 431 A CA -0.638 51.490 52.037 0.153 0.000 0.810 431 A CB 0.470 19.491 19.000 0.034 0.000 1.198 431 A HN 0.718 nan 8.150 nan 0.000 0.484 432 W N 2.243 123.534 121.300 -0.015 0.000 2.086 432 W HA 0.413 5.073 4.660 0.001 0.000 0.355 432 W C -1.868 174.614 176.519 -0.062 0.000 1.313 432 W CA -1.414 55.910 57.345 -0.034 0.000 1.358 432 W CB -0.004 29.436 29.460 -0.034 0.000 1.166 432 W HN 0.503 nan 8.180 nan 0.000 0.630 433 P HA -0.122 nan 4.420 nan 0.000 0.230 433 P C 0.919 178.266 177.300 0.079 0.000 1.158 433 P CA 1.669 64.787 63.100 0.031 0.000 0.769 433 P CB 0.132 31.833 31.700 0.002 0.000 0.807 434 S N -2.371 113.415 115.700 0.144 0.000 2.557 434 S HA 0.427 4.898 4.470 0.001 0.000 0.223 434 S C 0.930 175.592 174.600 0.104 0.000 0.969 434 S CA -0.516 57.759 58.200 0.125 0.000 0.927 434 S CB -0.480 62.808 63.200 0.147 0.000 0.806 434 S HN 0.055 nan 8.310 nan 0.000 0.489 435 A N 1.641 124.518 122.820 0.095 0.000 2.477 435 A HA 0.418 4.738 4.320 0.001 0.000 0.246 435 A C 0.348 177.950 177.584 0.030 0.000 1.078 435 A CA -0.140 51.921 52.037 0.040 0.000 0.770 435 A CB 0.088 19.100 19.000 0.020 0.000 1.011 435 A HN 0.533 nan 8.150 nan 0.000 0.494 436 E N 2.711 122.927 120.200 0.027 0.000 3.374 436 E HA 0.337 4.688 4.350 0.001 0.000 0.223 436 E C -1.104 175.536 176.600 0.066 0.000 1.210 436 E CA -0.213 56.238 56.400 0.084 0.000 0.987 436 E CB 0.231 30.037 29.700 0.176 0.000 1.322 436 E HN 0.699 nan 8.360 nan 0.000 0.404 437 I N 2.344 122.861 120.570 -0.090 0.000 2.533 437 I HA 0.314 4.485 4.170 0.001 0.000 0.284 437 I C 0.210 176.226 176.117 -0.168 0.000 1.109 437 I CA 0.248 61.373 61.300 -0.292 0.000 1.412 437 I CB 0.950 38.698 38.000 -0.420 0.000 1.396 437 I HN 0.380 nan 8.210 nan 0.000 0.543 438 A N 5.047 127.760 122.820 -0.179 0.000 2.605 438 A HA 0.377 4.698 4.320 0.001 0.000 0.294 438 A C 0.102 177.569 177.584 -0.196 0.000 1.062 438 A CA -0.498 51.417 52.037 -0.203 0.000 0.682 438 A CB 1.359 20.165 19.000 -0.322 0.000 1.278 438 A HN 0.436 nan 8.150 nan 0.000 0.410 439 V N 1.424 121.241 119.914 -0.161 0.000 2.515 439 V HA 0.151 4.272 4.120 0.001 0.000 0.250 439 V C 0.642 176.658 176.094 -0.130 0.000 1.058 439 V CA 2.833 65.072 62.300 -0.102 0.000 1.064 439 V CB -0.714 31.041 31.823 -0.113 0.000 0.675 439 V HN 1.076 nan 8.190 nan 0.000 0.461 440 M N -2.533 116.920 119.600 -0.244 0.000 2.895 440 M HA 0.527 5.008 4.480 0.001 0.000 0.271 440 M C -0.145 175.875 176.300 -0.466 0.000 1.174 440 M CA -0.225 54.884 55.300 -0.319 0.000 0.816 440 M CB 1.015 33.527 32.600 -0.148 0.000 1.647 440 M HN -0.016 nan 8.290 nan 0.000 0.506 441 G N 0.598 109.151 108.800 -0.412 0.000 2.414 441 G HA2 0.409 4.370 3.960 0.001 0.000 0.236 441 G HA3 0.409 4.370 3.960 0.001 0.000 0.236 441 G C 0.854 175.697 174.900 -0.095 0.000 1.293 441 G CA 0.059 45.037 45.100 -0.204 0.000 0.869 441 G HN 1.102 nan 8.290 nan 0.000 0.556 442 A N 1.331 124.173 122.820 0.035 0.000 2.032 442 A HA -0.116 4.205 4.320 0.001 0.000 0.221 442 A C 2.034 179.594 177.584 -0.040 0.000 1.165 442 A CA 2.043 54.139 52.037 0.098 0.000 0.645 442 A CB -0.301 18.862 19.000 0.272 0.000 0.807 442 A HN 0.821 nan 8.150 nan 0.000 0.453 443 E N -0.670 119.528 120.200 -0.004 0.000 2.016 443 E HA -0.086 4.264 4.350 0.001 0.000 0.190 443 E C 2.135 178.700 176.600 -0.058 0.000 0.985 443 E CA 0.938 57.336 56.400 -0.004 0.000 0.802 443 E CB -0.442 29.273 29.700 0.026 0.000 0.762 443 E HN 0.471 nan 8.360 nan 0.000 0.448 444 G N 0.382 109.139 108.800 -0.072 0.000 2.448 444 G HA2 -0.203 3.758 3.960 0.001 0.000 0.219 444 G HA3 -0.203 3.758 3.960 0.001 0.000 0.219 444 G C 1.543 176.334 174.900 -0.182 0.000 1.127 444 G CA 0.839 45.883 45.100 -0.092 0.000 0.766 444 G HN 0.406 nan 8.290 nan 0.000 0.552 445 A N 1.304 123.938 122.820 -0.310 0.000 1.855 445 A HA 0.326 4.646 4.320 0.001 0.000 0.215 445 A C 2.821 180.075 177.584 -0.550 0.000 1.191 445 A CA 2.126 53.824 52.037 -0.565 0.000 0.613 445 A CB -0.868 17.421 19.000 -1.185 0.000 0.829 445 A HN 0.723 nan 8.150 nan 0.000 0.442 446 A N 0.208 122.790 122.820 -0.397 0.000 1.972 446 A HA -0.144 4.177 4.320 0.001 0.000 0.219 446 A C 1.529 179.093 177.584 -0.032 0.000 1.169 446 A CA 1.438 53.424 52.037 -0.085 0.000 0.635 446 A CB -0.614 18.555 19.000 0.281 0.000 0.810 446 A HN 0.526 nan 8.150 nan 0.000 0.446 447 N N -0.259 118.404 118.700 -0.061 0.000 2.551 447 N HA 0.045 4.785 4.740 0.001 0.000 0.199 447 N C 0.792 176.263 175.510 -0.065 0.000 1.277 447 N CA 0.863 53.895 53.050 -0.030 0.000 0.870 447 N CB 0.454 38.924 38.487 -0.028 0.000 1.028 447 N HN 0.386 nan 8.380 nan 0.000 0.452 448 V N -0.222 119.614 119.914 -0.131 0.000 3.442 448 V HA 0.058 4.178 4.120 0.001 0.000 0.205 448 V C 1.883 177.876 176.094 -0.168 0.000 1.320 448 V CA -0.045 62.174 62.300 -0.135 0.000 1.306 448 V CB -0.139 31.590 31.823 -0.158 0.000 1.267 448 V HN 0.136 nan 8.190 nan 0.000 0.538 449 I N -1.916 118.455 120.570 -0.332 0.000 2.830 449 I HA -0.005 4.166 4.170 0.001 0.000 0.263 449 I C 1.688 177.606 176.117 -0.331 0.000 1.230 449 I CA 2.013 63.072 61.300 -0.400 0.000 1.480 449 I CB -0.307 37.332 38.000 -0.603 0.000 1.095 449 I HN 0.288 nan 8.210 nan 0.000 0.455 450 F N 0.280 120.222 119.950 -0.012 0.000 2.661 450 F HA 0.348 4.876 4.527 0.001 0.000 0.306 450 F C 2.189 177.985 175.800 -0.007 0.000 1.094 450 F CA -0.739 57.261 58.000 -0.001 0.000 1.254 450 F CB -0.114 38.887 39.000 0.002 0.000 1.040 450 F HN -0.105 nan 8.300 nan 0.000 0.562 451 R N 2.039 122.604 120.500 0.108 0.000 2.143 451 R HA -0.215 4.125 4.340 0.001 0.000 0.239 451 R C 1.712 178.051 176.300 0.066 0.000 1.126 451 R CA 2.012 58.150 56.100 0.063 0.000 0.927 451 R CB -0.419 29.892 30.300 0.018 0.000 0.860 451 R HN 0.266 nan 8.270 nan 0.000 0.433 452 K N 0.068 120.505 120.400 0.063 0.000 2.057 452 K HA -0.147 4.174 4.320 0.001 0.000 0.206 452 K C 2.151 178.786 176.600 0.057 0.000 1.050 452 K CA 1.427 57.744 56.287 0.051 0.000 0.935 452 K CB -0.193 32.333 32.500 0.044 0.000 0.715 452 K HN 0.384 nan 8.250 nan 0.000 0.439 453 E N 1.185 121.436 120.200 0.084 0.000 2.150 453 E HA -0.158 4.193 4.350 0.001 0.000 0.193 453 E C 1.875 178.497 176.600 0.037 0.000 0.985 453 E CA 0.747 57.184 56.400 0.062 0.000 0.814 453 E CB 0.067 29.813 29.700 0.077 0.000 0.752 453 E HN 0.258 nan 8.360 nan 0.000 0.466 454 I N 1.525 122.127 120.570 0.053 0.000 2.233 454 I HA -0.273 3.898 4.170 0.001 0.000 0.243 454 I C 2.576 178.707 176.117 0.023 0.000 1.093 454 I CA 1.403 62.722 61.300 0.032 0.000 1.380 454 I CB -0.393 37.637 38.000 0.050 0.000 1.067 454 I HN 0.126 nan 8.210 nan 0.000 0.413 455 K N 2.025 122.442 120.400 0.028 0.000 2.063 455 K HA -0.162 4.159 4.320 0.001 0.000 0.208 455 K C 2.015 178.623 176.600 0.014 0.000 1.048 455 K CA 1.821 58.119 56.287 0.019 0.000 0.928 455 K CB -0.498 32.014 32.500 0.020 0.000 0.713 455 K HN 0.250 nan 8.250 nan 0.000 0.442 456 A N 1.397 124.226 122.820 0.015 0.000 2.167 456 A HA 0.305 4.626 4.320 0.001 0.000 0.214 456 A C 1.220 178.807 177.584 0.006 0.000 1.151 456 A CA 0.413 52.456 52.037 0.011 0.000 0.735 456 A CB -0.403 18.605 19.000 0.013 0.000 0.802 456 A HN 0.520 nan 8.150 nan 0.000 0.467 457 A N 0.257 123.079 122.820 0.004 0.000 2.483 457 A HA 0.300 4.621 4.320 0.001 0.000 0.238 457 A C 0.483 178.065 177.584 -0.003 0.000 1.070 457 A CA 0.110 52.145 52.037 -0.003 0.000 0.770 457 A CB 0.136 19.131 19.000 -0.009 0.000 1.008 457 A HN 0.278 nan 8.150 nan 0.000 0.497 458 D N -0.126 120.271 120.400 -0.005 0.000 2.378 458 D HA 0.007 4.648 4.640 0.001 0.000 0.222 458 D C -0.251 176.046 176.300 -0.005 0.000 0.980 458 D CA 1.432 55.430 54.000 -0.004 0.000 0.907 458 D CB 0.265 41.062 40.800 -0.005 0.000 0.899 458 D HN 0.528 nan 8.370 nan 0.000 0.527 459 D N -1.485 118.911 120.400 -0.006 0.000 2.527 459 D HA 0.126 4.767 4.640 0.001 0.000 0.242 459 D C -2.099 174.197 176.300 -0.007 0.000 1.285 459 D CA -1.644 52.353 54.000 -0.006 0.000 0.886 459 D CB 1.407 42.202 40.800 -0.009 0.000 1.402 459 D HN -0.211 nan 8.370 nan 0.000 0.528 460 P HA -0.113 nan 4.420 nan 0.000 0.216 460 P C 0.870 178.170 177.300 -0.000 0.000 1.153 460 P CA 0.981 64.081 63.100 0.001 0.000 0.858 460 P CB 0.504 32.208 31.700 0.005 0.000 0.789 461 D N -0.676 119.724 120.400 -0.000 0.000 2.092 461 D HA -0.146 4.494 4.640 0.001 0.000 0.193 461 D C 2.031 178.329 176.300 -0.004 0.000 0.994 461 D CA 1.766 55.766 54.000 0.001 0.000 0.828 461 D CB -0.985 39.815 40.800 0.001 0.000 0.963 461 D HN 0.073 nan 8.370 nan 0.000 0.450 462 A N 0.557 123.372 122.820 -0.009 0.000 1.930 462 A HA -0.162 4.158 4.320 0.001 0.000 0.217 462 A C 2.121 179.689 177.584 -0.026 0.000 1.175 462 A CA 1.740 53.768 52.037 -0.015 0.000 0.627 462 A CB -0.506 18.485 19.000 -0.016 0.000 0.815 462 A HN 0.149 nan 8.150 nan 0.000 0.443 463 M N 0.121 119.703 119.600 -0.029 0.000 2.065 463 M HA -0.161 4.319 4.480 0.001 0.000 0.259 463 M C 2.143 178.409 176.300 -0.057 0.000 1.071 463 M CA 2.324 57.594 55.300 -0.050 0.000 1.109 463 M CB -0.659 31.918 32.600 -0.038 0.000 1.313 463 M HN 0.468 nan 8.290 nan 0.000 0.408 464 R N -0.353 120.134 120.500 -0.022 0.000 2.112 464 R HA -0.198 4.143 4.340 0.001 0.000 0.242 464 R C 2.009 178.309 176.300 0.001 0.000 1.137 464 R CA 2.189 58.290 56.100 0.002 0.000 0.944 464 R CB -0.741 29.572 30.300 0.022 0.000 0.857 464 R HN 0.510 nan 8.270 nan 0.000 0.435 465 A N 0.714 123.533 122.820 -0.002 0.000 1.908 465 A HA -0.239 4.082 4.320 0.001 0.000 0.218 465 A C 2.017 179.596 177.584 -0.008 0.000 1.181 465 A CA 1.876 53.916 52.037 0.004 0.000 0.627 465 A CB -0.641 18.360 19.000 0.002 0.000 0.818 465 A HN 0.595 nan 8.150 nan 0.000 0.445 466 E N 0.346 120.523 120.200 -0.038 0.000 2.077 466 E HA -0.189 4.162 4.350 0.001 0.000 0.193 466 E C 1.826 178.368 176.600 -0.096 0.000 0.989 466 E CA 1.725 58.088 56.400 -0.063 0.000 0.800 466 E CB -0.144 29.507 29.700 -0.083 0.000 0.746 466 E HN 0.394 nan 8.360 nan 0.000 0.452 467 K N 0.425 120.732 120.400 -0.156 0.000 2.057 467 K HA -0.033 4.287 4.320 0.001 0.000 0.206 467 K C 2.395 179.019 176.600 0.040 0.000 1.050 467 K CA 1.254 57.369 56.287 -0.287 0.000 0.935 467 K CB -0.633 31.558 32.500 -0.514 0.000 0.715 467 K HN 0.306 nan 8.250 nan 0.000 0.439 468 I N 1.178 121.807 120.570 0.099 0.000 2.127 468 I HA -0.289 3.881 4.170 0.001 0.000 0.241 468 I C 2.602 178.820 176.117 0.168 0.000 1.075 468 I CA 1.430 62.831 61.300 0.168 0.000 1.334 468 I CB -0.286 37.778 38.000 0.107 0.000 1.040 468 I HN 0.298 nan 8.210 nan 0.000 0.405 469 E N 0.823 121.077 120.200 0.090 0.000 2.160 469 E HA -0.296 4.055 4.350 0.001 0.000 0.195 469 E C 2.053 178.695 176.600 0.070 0.000 0.991 469 E CA 1.425 57.867 56.400 0.071 0.000 0.810 469 E CB 0.031 29.750 29.700 0.032 0.000 0.742 469 E HN 0.434 nan 8.360 nan 0.000 0.466 470 E N -0.812 119.427 120.200 0.065 0.000 2.047 470 E HA -0.209 4.142 4.350 0.001 0.000 0.191 470 E C 1.825 178.491 176.600 0.110 0.000 0.987 470 E CA 1.051 57.478 56.400 0.045 0.000 0.799 470 E CB -0.189 29.502 29.700 -0.015 0.000 0.752 470 E HN 0.374 nan 8.360 nan 0.000 0.449 471 Y N 1.232 121.618 120.300 0.143 0.000 2.200 471 Y HA -0.270 4.280 4.550 0.001 0.000 0.290 471 Y C 2.442 178.433 175.900 0.151 0.000 1.137 471 Y CA 2.084 60.314 58.100 0.216 0.000 1.163 471 Y CB -0.141 38.513 38.460 0.323 0.000 0.988 471 Y HN 0.088 nan 8.280 nan 0.000 0.518 472 Q N 0.804 120.767 119.800 0.271 0.000 2.061 472 Q HA -0.217 4.124 4.340 0.001 0.000 0.204 472 Q C 1.577 177.612 176.000 0.059 0.000 0.984 472 Q CA 2.395 58.302 55.803 0.173 0.000 0.846 472 Q CB -0.537 28.293 28.738 0.154 0.000 0.902 472 Q HN 0.464 nan 8.270 nan 0.000 0.421 473 N N -0.709 118.001 118.700 0.015 0.000 2.446 473 N HA 0.040 4.781 4.740 0.001 0.000 0.179 473 N C 1.068 176.511 175.510 -0.112 0.000 1.054 473 N CA 0.909 53.944 53.050 -0.025 0.000 0.905 473 N CB 0.044 38.519 38.487 -0.022 0.000 0.973 473 N HN 0.390 nan 8.380 nan 0.000 0.448 474 A N -0.618 122.058 122.820 -0.241 0.000 2.072 474 A HA 0.145 4.466 4.320 0.001 0.000 0.216 474 A C 1.196 178.391 177.584 -0.649 0.000 1.156 474 A CA 0.764 52.500 52.037 -0.503 0.000 0.701 474 A CB -0.013 18.545 19.000 -0.736 0.000 0.816 474 A HN 0.130 nan 8.150 nan 0.000 0.458 475 F N -1.340 118.481 119.950 -0.215 0.000 2.658 475 F HA 0.199 4.726 4.527 0.001 0.000 0.293 475 F C 0.786 176.508 175.800 -0.129 0.000 0.986 475 F CA -0.160 57.710 58.000 -0.216 0.000 1.182 475 F CB 0.018 38.776 39.000 -0.404 0.000 0.965 475 F HN 0.044 nan 8.300 nan 0.000 0.659 476 N N 0.561 119.319 118.700 0.096 0.000 2.322 476 N HA 0.073 4.813 4.740 0.001 0.000 0.216 476 N C 0.228 175.782 175.510 0.074 0.000 1.144 476 N CA 0.362 53.456 53.050 0.074 0.000 0.830 476 N CB -0.240 38.298 38.487 0.085 0.000 1.034 476 N HN 0.249 nan 8.380 nan 0.000 0.484 477 T N -3.276 111.325 114.554 0.079 0.000 2.925 477 T HA 0.410 4.761 4.350 0.001 0.000 0.285 477 T C -1.956 172.781 174.700 0.062 0.000 1.021 477 T CA -1.983 60.180 62.100 0.104 0.000 1.042 477 T CB 2.616 71.588 68.868 0.173 0.000 1.037 477 T HN -0.278 nan 8.240 nan 0.000 0.481 478 P HA -0.054 nan 4.420 nan 0.000 0.219 478 P C 0.629 177.806 177.300 -0.206 0.000 1.146 478 P CA 1.083 64.095 63.100 -0.147 0.000 0.808 478 P CB -0.216 31.323 31.700 -0.270 0.000 0.779 479 Y N -1.548 118.769 120.300 0.027 0.000 2.373 479 Y HA -0.091 4.459 4.550 0.001 0.000 0.293 479 Y C 2.251 178.160 175.900 0.015 0.000 1.129 479 Y CA 0.570 58.682 58.100 0.020 0.000 1.226 479 Y CB -1.000 37.466 38.460 0.010 0.000 1.000 479 Y HN -0.211 nan 8.280 nan 0.000 0.549 480 V N -0.706 119.290 119.914 0.135 0.000 2.535 480 V HA -0.181 3.939 4.120 0.001 0.000 0.246 480 V C 2.436 178.571 176.094 0.068 0.000 1.045 480 V CA 1.302 63.656 62.300 0.089 0.000 1.058 480 V CB -1.050 30.819 31.823 0.075 0.000 0.689 480 V HN 0.412 nan 8.190 nan 0.000 0.461 481 A N 0.461 123.305 122.820 0.039 0.000 1.902 481 A HA -0.137 4.183 4.320 0.001 0.000 0.217 481 A C 2.418 180.015 177.584 0.022 0.000 1.181 481 A CA 2.169 54.218 52.037 0.020 0.000 0.623 481 A CB -0.769 18.221 19.000 -0.017 0.000 0.818 481 A HN 0.548 nan 8.150 nan 0.000 0.443 482 A N -0.244 122.583 122.820 0.011 0.000 1.930 482 A HA 0.198 4.519 4.320 0.001 0.000 0.217 482 A C 2.495 180.104 177.584 0.043 0.000 1.175 482 A CA 1.951 53.999 52.037 0.018 0.000 0.627 482 A CB -0.996 18.005 19.000 0.002 0.000 0.815 482 A HN 1.080 nan 8.150 nan 0.000 0.443 483 A N -0.465 122.392 122.820 0.061 0.000 1.908 483 A HA -0.168 4.153 4.320 0.001 0.000 0.218 483 A C 2.070 179.682 177.584 0.047 0.000 1.181 483 A CA 1.533 53.606 52.037 0.059 0.000 0.627 483 A CB -0.363 18.675 19.000 0.063 0.000 0.818 483 A HN 0.351 nan 8.150 nan 0.000 0.445 484 R N -1.400 119.129 120.500 0.049 0.000 2.310 484 R HA 0.133 4.474 4.340 0.001 0.000 0.202 484 R C 1.365 177.685 176.300 0.034 0.000 0.933 484 R CA 0.728 56.855 56.100 0.045 0.000 1.054 484 R CB -0.728 29.606 30.300 0.057 0.000 0.985 484 R HN 0.903 nan 8.270 nan 0.000 0.489 485 G N 0.733 109.550 108.800 0.029 0.000 2.159 485 G HA2 -0.280 3.681 3.960 0.001 0.000 0.256 485 G HA3 -0.280 3.681 3.960 0.001 0.000 0.256 485 G C 0.856 175.762 174.900 0.011 0.000 0.977 485 G CA 0.269 45.379 45.100 0.017 0.000 0.652 485 G HN 0.269 nan 8.290 nan 0.000 0.531 486 Q N -0.633 119.181 119.800 0.023 0.000 2.436 486 Q HA 0.171 4.511 4.340 0.001 0.000 0.209 486 Q C 1.323 177.334 176.000 0.017 0.000 0.965 486 Q CA 1.605 57.430 55.803 0.037 0.000 0.910 486 Q CB 0.282 29.063 28.738 0.073 0.000 0.980 486 Q HN 1.303 nan 8.270 nan 0.000 0.491 487 V N -3.402 116.507 119.914 -0.009 0.000 2.925 487 V HA 0.327 4.447 4.120 0.001 0.000 0.311 487 V C -0.074 175.985 176.094 -0.059 0.000 1.104 487 V CA -0.832 61.440 62.300 -0.047 0.000 0.954 487 V CB 2.020 33.830 31.823 -0.022 0.000 1.022 487 V HN -0.258 nan 8.190 nan 0.000 0.427 488 D N 1.202 121.524 120.400 -0.132 0.000 2.224 488 D HA 0.170 4.811 4.640 0.001 0.000 0.205 488 D C 0.274 176.587 176.300 0.022 0.000 0.965 488 D CA 1.992 55.943 54.000 -0.082 0.000 0.852 488 D CB 0.185 40.873 40.800 -0.188 0.000 0.947 488 D HN 0.873 nan 8.370 nan 0.000 0.494 489 D N -2.029 118.407 120.400 0.059 0.000 2.742 489 D HA 0.141 4.782 4.640 0.001 0.000 0.262 489 D C -1.666 174.696 176.300 0.103 0.000 1.240 489 D CA -0.593 53.475 54.000 0.113 0.000 0.752 489 D CB 1.332 42.256 40.800 0.207 0.000 1.290 489 D HN -0.306 nan 8.370 nan 0.000 0.420 490 V N 2.349 122.283 119.914 0.033 0.000 2.435 490 V HA 0.625 4.746 4.120 0.001 0.000 0.290 490 V C 0.369 176.474 176.094 0.018 0.000 1.030 490 V CA -0.583 61.696 62.300 -0.035 0.000 0.881 490 V CB 0.982 32.650 31.823 -0.257 0.000 0.983 490 V HN 0.505 nan 8.190 nan 0.000 0.445 491 I N 0.241 120.837 120.570 0.043 0.000 3.002 491 I HA 0.700 4.870 4.170 0.001 0.000 0.310 491 I C -0.685 175.364 176.117 -0.114 0.000 1.087 491 I CA -0.880 60.416 61.300 -0.007 0.000 1.017 491 I CB 2.222 40.230 38.000 0.014 0.000 1.226 491 I HN 0.472 nan 8.210 nan 0.000 0.443 492 D N 4.222 124.528 120.400 -0.156 0.000 2.343 492 D HA 0.278 4.918 4.640 0.001 0.000 0.255 492 D C -1.847 174.198 176.300 -0.426 0.000 1.187 492 D CA -2.203 51.648 54.000 -0.248 0.000 0.875 492 D CB 1.672 42.370 40.800 -0.169 0.000 1.136 492 D HN 0.301 nan 8.370 nan 0.000 0.469 493 P HA -0.151 nan 4.420 nan 0.000 0.218 493 P C 0.826 177.769 177.300 -0.596 0.000 1.146 493 P CA 1.574 63.873 63.100 -1.336 0.000 0.820 493 P CB 0.163 30.753 31.700 -1.851 0.000 0.778 494 A N -0.522 122.070 122.820 -0.381 0.000 2.067 494 A HA -0.148 4.172 4.320 0.001 0.000 0.219 494 A C 1.492 178.993 177.584 -0.137 0.000 1.158 494 A CA 1.518 53.430 52.037 -0.208 0.000 0.661 494 A CB -0.826 18.077 19.000 -0.162 0.000 0.801 494 A HN 0.113 nan 8.150 nan 0.000 0.452 495 D N -0.988 119.323 120.400 -0.148 0.000 2.342 495 D HA 0.064 4.704 4.640 0.001 0.000 0.221 495 D C 1.169 177.418 176.300 -0.085 0.000 1.101 495 D CA 0.471 54.407 54.000 -0.106 0.000 0.837 495 D CB -0.022 40.711 40.800 -0.113 0.000 0.938 495 D HN 0.282 nan 8.370 nan 0.000 0.508 496 T N 0.639 115.180 114.554 -0.022 0.000 2.684 496 T HA -0.197 4.154 4.350 0.001 0.000 0.267 496 T C 1.963 176.669 174.700 0.009 0.000 1.036 496 T CA 0.987 63.129 62.100 0.069 0.000 1.148 496 T CB 0.179 69.224 68.868 0.294 0.000 0.863 496 T HN 0.205 nan 8.240 nan 0.000 0.436 497 R N 0.883 121.387 120.500 0.007 0.000 2.083 497 R HA -0.082 4.258 4.340 0.001 0.000 0.237 497 R C 2.631 178.911 176.300 -0.033 0.000 1.137 497 R CA 1.631 57.726 56.100 -0.008 0.000 0.951 497 R CB -0.180 30.110 30.300 -0.018 0.000 0.851 497 R HN 0.280 nan 8.270 nan 0.000 0.434 498 R N 0.359 120.828 120.500 -0.053 0.000 2.081 498 R HA -0.128 4.212 4.340 0.001 0.000 0.235 498 R C 1.858 178.105 176.300 -0.088 0.000 1.131 498 R CA 1.589 57.653 56.100 -0.059 0.000 0.960 498 R CB 0.017 30.280 30.300 -0.061 0.000 0.856 498 R HN 0.068 nan 8.270 nan 0.000 0.436 499 K N 0.630 120.923 120.400 -0.178 0.000 2.026 499 K HA -0.122 4.198 4.320 0.001 0.000 0.208 499 K C 2.125 178.608 176.600 -0.195 0.000 1.048 499 K CA 1.447 57.509 56.287 -0.374 0.000 0.929 499 K CB -0.359 31.650 32.500 -0.818 0.000 0.713 499 K HN 0.329 nan 8.250 nan 0.000 0.439 500 I N 0.982 121.505 120.570 -0.079 0.000 2.226 500 I HA -0.254 3.916 4.170 0.001 0.000 0.245 500 I C 2.451 178.614 176.117 0.076 0.000 1.100 500 I CA 1.141 62.478 61.300 0.062 0.000 1.374 500 I CB -0.378 37.660 38.000 0.062 0.000 1.057 500 I HN 0.052 nan 8.210 nan 0.000 0.413 501 A N 0.098 122.939 122.820 0.035 0.000 1.902 501 A HA -0.196 4.124 4.320 0.001 0.000 0.217 501 A C 2.484 180.109 177.584 0.069 0.000 1.181 501 A CA 2.209 54.272 52.037 0.043 0.000 0.623 501 A CB -0.729 18.278 19.000 0.011 0.000 0.818 501 A HN 0.387 nan 8.150 nan 0.000 0.443 502 S N -0.123 115.613 115.700 0.060 0.000 2.368 502 S HA -0.031 4.440 4.470 0.001 0.000 0.225 502 S C 2.299 176.987 174.600 0.147 0.000 1.030 502 S CA 1.187 59.437 58.200 0.082 0.000 0.999 502 S CB -0.453 62.784 63.200 0.061 0.000 0.844 502 S HN 0.796 nan 8.310 nan 0.000 0.459 503 A N 1.485 124.434 122.820 0.214 0.000 1.873 503 A HA 0.035 4.356 4.320 0.001 0.000 0.215 503 A C 2.122 179.909 177.584 0.337 0.000 1.186 503 A CA 1.052 53.297 52.037 0.346 0.000 0.616 503 A CB -0.750 18.479 19.000 0.382 0.000 0.823 503 A HN 0.434 nan 8.150 nan 0.000 0.442 504 L N -0.708 120.650 121.223 0.225 0.000 2.042 504 L HA -0.228 4.113 4.340 0.001 0.000 0.210 504 L C 2.702 179.684 176.870 0.185 0.000 1.076 504 L CA 1.840 56.798 54.840 0.197 0.000 0.749 504 L CB -0.469 41.670 42.059 0.134 0.000 0.893 504 L HN 0.521 nan 8.230 nan 0.000 0.432 505 E N 0.458 120.746 120.200 0.147 0.000 2.031 505 E HA -0.289 4.061 4.350 0.001 0.000 0.193 505 E C 2.049 178.694 176.600 0.075 0.000 0.994 505 E CA 1.682 58.152 56.400 0.117 0.000 0.800 505 E CB -0.254 29.501 29.700 0.091 0.000 0.752 505 E HN 0.238 nan 8.360 nan 0.000 0.447 506 M N -0.655 118.969 119.600 0.040 0.000 2.229 506 M HA -0.046 4.435 4.480 0.001 0.000 0.264 506 M C 0.841 176.996 176.300 -0.242 0.000 1.063 506 M CA 1.499 56.729 55.300 -0.117 0.000 1.114 506 M CB -0.316 32.159 32.600 -0.207 0.000 1.387 506 M HN 0.200 nan 8.290 nan 0.000 0.420 507 Y N -0.416 119.926 120.300 0.069 0.000 2.470 507 Y HA 0.445 4.995 4.550 0.001 0.000 0.284 507 Y C 2.010 177.951 175.900 0.069 0.000 1.188 507 Y CA 0.293 58.431 58.100 0.062 0.000 1.269 507 Y CB -0.913 37.584 38.460 0.061 0.000 1.094 507 Y HN 0.329 nan 8.280 nan 0.000 0.518 508 A N -0.269 122.640 122.820 0.148 0.000 2.019 508 A HA -0.161 4.159 4.320 0.001 0.000 0.219 508 A C 2.065 179.710 177.584 0.102 0.000 1.164 508 A CA 1.979 54.100 52.037 0.141 0.000 0.644 508 A CB -0.824 18.259 19.000 0.139 0.000 0.805 508 A HN 0.387 nan 8.150 nan 0.000 0.449 509 T N -2.617 111.976 114.554 0.064 0.000 3.186 509 T HA 0.233 4.583 4.350 0.001 0.000 0.257 509 T C 0.447 175.180 174.700 0.054 0.000 1.029 509 T CA -0.180 61.946 62.100 0.043 0.000 0.916 509 T CB -0.377 68.497 68.868 0.009 0.000 1.041 509 T HN 0.399 nan 8.240 nan 0.000 0.562 510 K N 1.892 122.354 120.400 0.103 0.000 2.451 510 K HA 0.163 4.483 4.320 0.001 0.000 0.280 510 K C -0.791 175.860 176.600 0.085 0.000 1.020 510 K CA -0.145 56.222 56.287 0.133 0.000 1.008 510 K CB 0.349 32.984 32.500 0.225 0.000 0.917 510 K HN 0.180 nan 8.250 nan 0.000 0.478 511 R N 3.503 124.043 120.500 0.066 0.000 2.467 511 R HA 0.162 4.503 4.340 0.001 0.000 0.299 511 R C -1.179 175.144 176.300 0.037 0.000 1.120 511 R CA -0.480 55.645 56.100 0.042 0.000 0.940 511 R CB 1.674 31.991 30.300 0.029 0.000 1.161 511 R HN 0.577 nan 8.270 nan 0.000 0.506 512 Q N 1.504 121.321 119.800 0.030 0.000 2.333 512 Q HA 0.504 4.845 4.340 0.001 0.000 0.267 512 Q C -0.902 175.101 176.000 0.004 0.000 1.012 512 Q CA -0.509 55.305 55.803 0.019 0.000 0.824 512 Q CB 1.865 30.614 28.738 0.019 0.000 1.290 512 Q HN 0.473 nan 8.270 nan 0.000 0.449 513 T N 3.308 117.862 114.554 0.000 0.000 2.918 513 T HA 0.596 4.947 4.350 0.001 0.000 0.286 513 T C -0.760 173.932 174.700 -0.013 0.000 1.026 513 T CA -0.797 61.299 62.100 -0.007 0.000 1.031 513 T CB 0.922 69.787 68.868 -0.005 0.000 1.046 513 T HN 0.405 nan 8.240 nan 0.000 0.479 514 R N 1.655 122.144 120.500 -0.019 0.000 2.778 514 R HA 0.542 4.883 4.340 0.001 0.000 0.277 514 R C -2.554 173.734 176.300 -0.020 0.000 0.977 514 R CA -2.210 53.876 56.100 -0.024 0.000 0.950 514 R CB 0.247 30.528 30.300 -0.031 0.000 1.165 514 R HN 0.451 nan 8.270 nan 0.000 0.474 515 P HA 0.034 nan 4.420 nan 0.000 0.267 515 P C -0.750 176.540 177.300 -0.017 0.000 1.201 515 P CA -0.034 63.056 63.100 -0.017 0.000 0.775 515 P CB 0.402 32.092 31.700 -0.016 0.000 0.854 516 A N 2.545 125.355 122.820 -0.017 0.000 2.401 516 A HA 0.518 4.838 4.320 0.001 0.000 0.259 516 A C 0.229 177.798 177.584 -0.025 0.000 1.103 516 A CA 0.183 52.208 52.037 -0.019 0.000 0.789 516 A CB -0.227 18.763 19.000 -0.018 0.000 1.035 516 A HN 0.647 nan 8.150 nan 0.000 0.491 517 K N 1.356 121.737 120.400 -0.031 0.000 2.610 517 K HA 0.338 4.659 4.320 0.001 0.000 0.278 517 K C -0.385 176.171 176.600 -0.072 0.000 0.964 517 K CA -0.898 55.357 56.287 -0.054 0.000 0.859 517 K CB 1.102 33.578 32.500 -0.041 0.000 1.434 517 K HN 0.320 nan 8.250 nan 0.000 0.410 518 K N 0.108 120.419 120.400 -0.149 0.000 2.057 518 K HA -0.122 4.199 4.320 0.001 0.000 0.207 518 K C -0.046 176.501 176.600 -0.087 0.000 1.049 518 K CA 2.127 58.317 56.287 -0.161 0.000 0.931 518 K CB -0.347 31.966 32.500 -0.312 0.000 0.714 518 K HN 0.838 nan 8.250 nan 0.000 0.440 519 H N -4.374 114.709 119.070 0.020 0.000 2.951 519 H HA 0.379 4.935 4.556 0.001 0.000 0.292 519 H C -0.326 175.051 175.328 0.081 0.000 1.412 519 H CA -0.682 55.389 56.048 0.039 0.000 1.206 519 H CB 0.262 30.038 29.762 0.023 0.000 1.862 519 H HN 0.055 nan 8.280 nan 0.000 0.502 520 G N -0.376 108.637 108.800 0.355 0.000 2.535 520 G HA2 0.300 4.260 3.960 0.001 0.000 0.282 520 G HA3 0.300 4.260 3.960 0.001 0.000 0.282 520 G C -0.623 174.525 174.900 0.413 0.000 1.350 520 G CA -0.938 44.394 45.100 0.386 0.000 1.039 520 G HN 0.683 nan 8.290 nan 0.000 0.509 521 N N 0.041 118.927 118.700 0.309 0.000 2.816 521 N HA 0.156 4.896 4.740 0.001 0.000 0.236 521 N C -1.050 174.370 175.510 -0.150 0.000 1.076 521 N CA -0.315 52.806 53.050 0.119 0.000 0.902 521 N CB 1.049 39.595 38.487 0.098 0.000 1.149 521 N HN 0.382 nan 8.380 nan 0.000 0.506 522 F N 2.921 122.552 119.950 -0.532 0.000 2.578 522 F HA 0.174 4.702 4.527 0.001 0.000 0.381 522 F C -1.493 174.016 175.800 -0.484 0.000 1.069 522 F CA -1.136 56.324 58.000 -0.900 0.000 1.231 522 F CB 0.590 39.214 39.000 -0.626 0.000 1.086 522 F HN 0.282 nan 8.300 nan 0.000 0.564 523 P HA 0.020 nan 4.420 nan 0.000 0.266 523 P C -0.730 176.118 177.300 -0.753 0.000 1.195 523 P CA -0.245 62.426 63.100 -0.716 0.000 0.768 523 P CB 0.464 31.797 31.700 -0.612 0.000 0.838 524 C N 0.000 119.033 119.300 -0.444 0.000 2.653 524 C HA 0.000 4.461 4.460 0.001 0.000 0.325 524 C CA 0.000 58.816 59.018 -0.336 0.000 1.963 524 C CB 0.000 27.622 27.740 -0.196 0.000 2.134 524 C HN 0.000 nan 8.230 nan 0.000 0.568