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 2h3p_1_B DATA FIRST_RESID 27 DATA SEQUENCE SHMAHQDALP RLPVPPLQQS LDYYLKALQP IVSEEEWAHT KQLVDEFQTS DATA SEQUENCE GGVGERLQKG LERRAKKMEN WLSEWWLKTA YLQFRQPVVI YSSPGVILPK DATA SEQUENCE QDFVDLQGQL RFAAKLIEGV LDFKSMIDNE TLPVEFLGGQ PLCMNQYYQI DATA SEQUENCE LSSCRVPGPK QDSVVNFLKS KRPPTHITVV HNYQFFELDV YHSDGTPLTS DATA SEQUENCE DQIFVQLEKI WNSSLQSNKE PVGILTSNHR NTWAKAYNNL IKDKVNRESV DATA SEQUENCE NSIQKSIFTV CLDKQVPRVS DDVYRNHVAG QMLHGGGSKF NSGNRWFDKT DATA SEQUENCE LQFIVAEDGS CGMVYEHAAA EGPPIVALVD HVMEYTKKPE LVRSPMVPLP DATA SEQUENCE MPKKLRFNIT PEIKNDIEKA KQNLSIMIQD LDIMMLTFHH FGKDFPKSEK DATA SEQUENCE LSPDAFIQVA LQLAYYRIYG QACATYESAS LRMFHLGRTD TIRSASIDSL DATA SEQUENCE AFVKGMGDST VPEQQKVELL RKAVQAHRAY TDRAIRGEAF DRHLLGLKLQ DATA SEQUENCE AIEDLVSMPD IFMDTSYAIA MHFNLSTSQV PAKTDCVMFF GPVVPDGYGI DATA SEQUENCE CYNPMEAHIN FSVSAYNSCA ETNAARMAHY LEKALLDMRT LLQNHPRAK 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 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.651 174.600 0.086 0.000 1.055 27 S CA 0.000 58.229 58.200 0.048 0.000 1.107 27 S CB 0.000 63.217 63.200 0.029 0.000 0.593 28 H N 1.001 120.054 119.070 -0.028 0.000 2.276 28 H HA 0.199 4.744 4.556 -0.019 0.000 0.301 28 H C 1.905 177.222 175.328 -0.018 0.000 1.073 28 H CA 2.665 58.686 56.048 -0.046 0.000 1.311 28 H CB -0.351 29.287 29.762 -0.207 0.000 1.379 28 H HN 0.571 nan 8.280 nan 0.000 0.494 29 M N -0.214 119.272 119.600 -0.189 0.000 2.144 29 M HA -0.186 4.282 4.480 -0.019 0.000 0.260 29 M C 2.582 178.773 176.300 -0.181 0.000 1.067 29 M CA 1.558 56.709 55.300 -0.250 0.000 1.095 29 M CB -0.362 32.157 32.600 -0.136 0.000 1.365 29 M HN 0.477 nan 8.290 nan 0.000 0.406 30 A N -0.433 122.334 122.820 -0.087 0.000 1.908 30 A HA -0.259 4.050 4.320 -0.019 0.000 0.218 30 A C 1.811 179.356 177.584 -0.064 0.000 1.181 30 A CA 2.324 54.324 52.037 -0.061 0.000 0.627 30 A CB -1.108 17.884 19.000 -0.014 0.000 0.818 30 A HN 0.630 nan 8.150 nan 0.000 0.445 31 H N -0.617 118.381 119.070 -0.119 0.000 2.321 31 H HA -0.117 4.428 4.556 -0.019 0.000 0.300 31 H C 2.149 177.384 175.328 -0.155 0.000 1.087 31 H CA 2.086 58.071 56.048 -0.105 0.000 1.319 31 H CB -0.093 29.634 29.762 -0.057 0.000 1.379 31 H HN 0.368 nan 8.280 nan 0.000 0.501 32 Q N 0.520 120.112 119.800 -0.347 0.000 2.096 32 Q HA -0.140 4.189 4.340 -0.019 0.000 0.204 32 Q C 1.837 177.540 176.000 -0.495 0.000 0.982 32 Q CA 1.496 57.035 55.803 -0.442 0.000 0.850 32 Q CB -0.246 28.236 28.738 -0.427 0.000 0.901 32 Q HN 0.688 nan 8.270 nan 0.000 0.422 33 D N 0.435 120.608 120.400 -0.379 0.000 2.178 33 D HA -0.089 4.539 4.640 -0.019 0.000 0.201 33 D C 1.498 177.659 176.300 -0.231 0.000 0.980 33 D CA 1.184 55.002 54.000 -0.303 0.000 0.842 33 D CB 0.018 40.699 40.800 -0.198 0.000 0.948 33 D HN 0.234 nan 8.370 nan 0.000 0.472 34 A N 0.350 123.034 122.820 -0.227 0.000 2.167 34 A HA 0.067 4.376 4.320 -0.019 0.000 0.214 34 A C 1.220 178.695 177.584 -0.182 0.000 1.151 34 A CA 0.067 52.002 52.037 -0.169 0.000 0.735 34 A CB -0.220 18.697 19.000 -0.138 0.000 0.802 34 A HN 0.131 nan 8.150 nan 0.000 0.467 35 L N 1.452 122.525 121.223 -0.249 0.000 2.395 35 L HA 0.270 4.599 4.340 -0.019 0.000 0.269 35 L C -1.911 174.927 176.870 -0.053 0.000 1.133 35 L CA -2.047 52.686 54.840 -0.178 0.000 0.812 35 L CB 0.704 42.644 42.059 -0.198 0.000 1.125 35 L HN 0.126 nan 8.230 nan 0.000 0.452 36 P HA 0.183 nan 4.420 nan 0.000 0.274 36 P C -0.963 176.510 177.300 0.288 0.000 1.231 36 P CA -0.608 62.579 63.100 0.145 0.000 0.790 36 P CB 0.909 32.718 31.700 0.182 0.000 0.951 37 R N 0.928 121.576 120.500 0.246 0.000 2.500 37 R HA 0.369 4.698 4.340 -0.019 0.000 0.275 37 R C -0.187 176.200 176.300 0.146 0.000 1.051 37 R CA -1.116 55.111 56.100 0.213 0.000 1.088 37 R CB -0.539 29.841 30.300 0.134 0.000 1.063 37 R HN 0.426 nan 8.270 nan 0.000 0.511 38 L N 5.498 126.723 121.223 0.003 0.000 2.534 38 L HA 0.172 4.501 4.340 -0.019 0.000 0.271 38 L C -1.908 174.889 176.870 -0.122 0.000 1.178 38 L CA -0.566 54.074 54.840 -0.333 0.000 0.907 38 L CB 0.193 42.068 42.059 -0.307 0.000 1.164 38 L HN 0.571 nan 8.230 nan 0.000 0.482 39 P HA 0.206 nan 4.420 nan 0.000 0.279 39 P C -1.387 175.932 177.300 0.031 0.000 1.276 39 P CA -0.470 62.578 63.100 -0.086 0.000 0.801 39 P CB 1.362 32.977 31.700 -0.142 0.000 1.127 40 V N 1.712 121.547 119.914 -0.132 0.000 2.350 40 V HA 0.277 4.385 4.120 -0.019 0.000 0.285 40 V C -2.111 173.787 176.094 -0.326 0.000 1.014 40 V CA -1.736 60.349 62.300 -0.358 0.000 0.831 40 V CB 0.787 32.283 31.823 -0.546 0.000 1.000 40 V HN 0.548 nan 8.190 nan 0.000 0.433 41 P HA 0.236 nan 4.420 nan 0.000 0.270 41 P C -2.670 174.576 177.300 -0.089 0.000 1.223 41 P CA -1.152 61.854 63.100 -0.157 0.000 0.785 41 P CB -0.097 31.612 31.700 0.014 0.000 0.923 42 P HA 0.006 nan 4.420 nan 0.000 0.268 42 P C 0.779 178.193 177.300 0.191 0.000 1.205 42 P CA -0.201 62.942 63.100 0.072 0.000 0.771 42 P CB 0.355 32.079 31.700 0.040 0.000 0.858 43 L N 3.694 125.018 121.223 0.169 0.000 1.990 43 L HA -0.241 4.087 4.340 -0.019 0.000 0.213 43 L C 2.328 179.244 176.870 0.076 0.000 1.072 43 L CA 2.015 56.947 54.840 0.152 0.000 0.755 43 L CB -1.334 40.753 42.059 0.047 0.000 0.889 43 L HN 0.456 nan 8.230 nan 0.000 0.432 44 Q N -1.019 118.798 119.800 0.027 0.000 2.061 44 Q HA -0.318 4.010 4.340 -0.019 0.000 0.204 44 Q C 2.313 178.284 176.000 -0.047 0.000 0.984 44 Q CA 2.314 58.108 55.803 -0.016 0.000 0.846 44 Q CB -0.308 28.411 28.738 -0.031 0.000 0.902 44 Q HN 0.743 nan 8.270 nan 0.000 0.421 45 Q N -0.338 119.443 119.800 -0.031 0.000 2.030 45 Q HA -0.179 4.149 4.340 -0.019 0.000 0.204 45 Q C 2.078 178.020 176.000 -0.097 0.000 0.986 45 Q CA 2.095 57.831 55.803 -0.112 0.000 0.843 45 Q CB -0.106 28.637 28.738 0.007 0.000 0.904 45 Q HN 0.346 nan 8.270 nan 0.000 0.420 46 S N 0.613 116.398 115.700 0.141 0.000 2.383 46 S HA -0.057 4.402 4.470 -0.019 0.000 0.227 46 S C 1.887 176.492 174.600 0.008 0.000 1.026 46 S CA 0.879 59.231 58.200 0.253 0.000 0.981 46 S CB -0.143 63.290 63.200 0.389 0.000 0.818 46 S HN 0.359 nan 8.310 nan 0.000 0.472 47 L N 1.200 122.403 121.223 -0.034 0.000 2.141 47 L HA -0.111 4.218 4.340 -0.019 0.000 0.209 47 L C 1.987 178.809 176.870 -0.080 0.000 1.094 47 L CA 0.933 55.742 54.840 -0.052 0.000 0.763 47 L CB -0.536 41.511 42.059 -0.019 0.000 0.908 47 L HN 0.208 nan 8.230 nan 0.000 0.437 48 D N -0.692 119.632 120.400 -0.127 0.000 2.123 48 D HA -0.173 4.455 4.640 -0.019 0.000 0.200 48 D C 2.093 178.329 176.300 -0.106 0.000 0.976 48 D CA 1.322 55.233 54.000 -0.149 0.000 0.831 48 D CB -0.101 40.556 40.800 -0.238 0.000 0.974 48 D HN 0.245 nan 8.370 nan 0.000 0.469 49 Y N -0.043 120.221 120.300 -0.061 0.000 2.293 49 Y HA -0.187 4.352 4.550 -0.019 0.000 0.291 49 Y C 2.242 178.004 175.900 -0.230 0.000 1.137 49 Y CA 0.253 58.328 58.100 -0.041 0.000 1.202 49 Y CB -0.870 37.672 38.460 0.136 0.000 0.990 49 Y HN 0.059 nan 8.280 nan 0.000 0.537 50 Y N 0.358 120.242 120.300 -0.693 0.000 2.114 50 Y HA -0.237 4.302 4.550 -0.019 0.000 0.284 50 Y C 2.071 177.846 175.900 -0.207 0.000 1.143 50 Y CA 1.361 58.915 58.100 -0.910 0.000 1.135 50 Y CB -0.869 37.096 38.460 -0.826 0.000 0.980 50 Y HN 0.055 nan 8.280 nan 0.000 0.499 51 L N 0.028 121.077 121.223 -0.289 0.000 2.042 51 L HA -0.261 4.067 4.340 -0.019 0.000 0.210 51 L C 2.589 179.596 176.870 0.229 0.000 1.076 51 L CA 1.541 56.278 54.840 -0.171 0.000 0.749 51 L CB -0.596 41.404 42.059 -0.099 0.000 0.893 51 L HN 0.100 nan 8.230 nan 0.000 0.432 52 K N 0.183 120.695 120.400 0.187 0.000 2.057 52 K HA -0.101 4.208 4.320 -0.019 0.000 0.207 52 K C 2.123 178.862 176.600 0.231 0.000 1.049 52 K CA 1.531 57.950 56.287 0.219 0.000 0.931 52 K CB -0.437 32.192 32.500 0.215 0.000 0.714 52 K HN 0.293 nan 8.250 nan 0.000 0.440 53 A N 0.909 123.895 122.820 0.276 0.000 2.121 53 A HA -0.036 4.272 4.320 -0.019 0.000 0.218 53 A C 2.156 179.900 177.584 0.266 0.000 1.154 53 A CA 0.852 53.104 52.037 0.358 0.000 0.679 53 A CB -0.374 19.006 19.000 0.633 0.000 0.795 53 A HN 0.162 nan 8.150 nan 0.000 0.458 54 L N -1.617 119.713 121.223 0.179 0.000 2.209 54 L HA -0.110 4.219 4.340 -0.019 0.000 0.207 54 L C 2.670 179.680 176.870 0.235 0.000 1.094 54 L CA 0.803 55.742 54.840 0.163 0.000 0.790 54 L CB -0.512 41.550 42.059 0.004 0.000 0.932 54 L HN 0.473 nan 8.230 nan 0.000 0.447 55 Q N 0.616 120.542 119.800 0.209 0.000 2.082 55 Q HA -0.232 4.096 4.340 -0.019 0.000 0.211 55 Q C -0.611 175.392 176.000 0.006 0.000 1.002 55 Q CA 2.469 58.245 55.803 -0.045 0.000 0.868 55 Q CB -0.785 27.834 28.738 -0.197 0.000 0.931 55 Q HN 0.381 nan 8.270 nan 0.000 0.414 56 P HA -0.071 nan 4.420 nan 0.000 0.233 56 P C 0.883 178.246 177.300 0.104 0.000 1.167 56 P CA 1.110 64.255 63.100 0.074 0.000 0.770 56 P CB -0.148 31.607 31.700 0.091 0.000 0.837 57 I N -3.264 117.376 120.570 0.116 0.000 4.154 57 I HA 0.244 4.402 4.170 -0.019 0.000 0.334 57 I C 0.215 176.396 176.117 0.106 0.000 1.371 57 I CA -0.613 60.755 61.300 0.114 0.000 1.110 57 I CB 0.833 38.901 38.000 0.113 0.000 1.085 57 I HN -0.310 nan 8.210 nan 0.000 0.398 58 V N -1.051 118.934 119.914 0.118 0.000 3.040 58 V HA 0.723 4.831 4.120 -0.019 0.000 0.312 58 V C 0.403 176.567 176.094 0.117 0.000 1.115 58 V CA -0.265 62.107 62.300 0.120 0.000 0.998 58 V CB 1.381 33.294 31.823 0.149 0.000 1.042 58 V HN 0.315 nan 8.190 nan 0.000 0.433 59 S N 1.045 116.807 115.700 0.105 0.000 2.617 59 S HA 0.259 4.718 4.470 -0.019 0.000 0.259 59 S C 0.786 175.459 174.600 0.122 0.000 1.301 59 S CA 0.521 58.775 58.200 0.090 0.000 0.984 59 S CB 0.501 63.743 63.200 0.071 0.000 0.954 59 S HN 0.870 nan 8.310 nan 0.000 0.572 60 E N 0.438 120.692 120.200 0.090 0.000 2.077 60 E HA -0.157 4.182 4.350 -0.019 0.000 0.193 60 E C 1.875 178.574 176.600 0.166 0.000 0.989 60 E CA 1.368 57.833 56.400 0.107 0.000 0.800 60 E CB -0.167 29.565 29.700 0.053 0.000 0.746 60 E HN 0.681 nan 8.360 nan 0.000 0.452 61 E N 1.042 121.313 120.200 0.118 0.000 2.047 61 E HA -0.163 4.175 4.350 -0.019 0.000 0.191 61 E C 1.813 178.497 176.600 0.140 0.000 0.987 61 E CA 1.082 57.547 56.400 0.108 0.000 0.799 61 E CB -0.028 29.706 29.700 0.057 0.000 0.752 61 E HN 0.269 nan 8.360 nan 0.000 0.449 62 E N -0.855 119.427 120.200 0.136 0.000 2.077 62 E HA -0.200 4.139 4.350 -0.019 0.000 0.193 62 E C 1.807 178.496 176.600 0.147 0.000 0.989 62 E CA 1.011 57.495 56.400 0.140 0.000 0.800 62 E CB -0.277 29.491 29.700 0.114 0.000 0.746 62 E HN 0.346 nan 8.360 nan 0.000 0.452 63 W N 1.272 122.579 121.300 0.012 0.000 2.379 63 W HA -0.123 4.526 4.660 -0.019 0.000 0.307 63 W C 2.428 178.935 176.519 -0.020 0.000 1.200 63 W CA 1.849 59.177 57.345 -0.029 0.000 1.297 63 W CB -0.217 29.223 29.460 -0.034 0.000 1.140 63 W HN 0.030 nan 8.180 nan 0.000 0.507 64 A N -0.612 122.414 122.820 0.344 0.000 1.883 64 A HA -0.330 3.978 4.320 -0.019 0.000 0.217 64 A C 2.068 179.664 177.584 0.020 0.000 1.186 64 A CA 2.068 54.235 52.037 0.218 0.000 0.624 64 A CB -1.652 17.481 19.000 0.221 0.000 0.822 64 A HN 0.639 nan 8.150 nan 0.000 0.444 65 H N -0.653 118.388 119.070 -0.048 0.000 2.321 65 H HA -0.117 4.428 4.556 -0.019 0.000 0.300 65 H C 2.086 177.315 175.328 -0.165 0.000 1.087 65 H CA 1.888 57.887 56.048 -0.082 0.000 1.319 65 H CB -0.008 29.726 29.762 -0.046 0.000 1.379 65 H HN 0.441 nan 8.280 nan 0.000 0.501 66 T N 0.769 115.130 114.554 -0.322 0.000 2.759 66 T HA -0.158 4.181 4.350 -0.019 0.000 0.269 66 T C 1.952 176.334 174.700 -0.530 0.000 1.042 66 T CA 1.686 63.514 62.100 -0.453 0.000 1.140 66 T CB -0.163 68.448 68.868 -0.429 0.000 0.864 66 T HN 0.222 nan 8.240 nan 0.000 0.455 67 K N 1.464 121.477 120.400 -0.645 0.000 2.063 67 K HA -0.080 4.229 4.320 -0.019 0.000 0.208 67 K C 2.299 178.695 176.600 -0.339 0.000 1.048 67 K CA 1.518 57.436 56.287 -0.615 0.000 0.928 67 K CB -0.322 31.766 32.500 -0.687 0.000 0.713 67 K HN 0.394 nan 8.250 nan 0.000 0.442 68 Q N -0.165 119.470 119.800 -0.274 0.000 2.079 68 Q HA -0.062 4.266 4.340 -0.019 0.000 0.200 68 Q C 2.148 178.020 176.000 -0.212 0.000 0.974 68 Q CA 1.527 57.219 55.803 -0.185 0.000 0.840 68 Q CB -0.116 28.552 28.738 -0.117 0.000 0.898 68 Q HN 0.304 nan 8.270 nan 0.000 0.430 69 L N -0.058 120.970 121.223 -0.325 0.000 2.083 69 L HA -0.182 4.146 4.340 -0.019 0.000 0.209 69 L C 2.345 179.098 176.870 -0.195 0.000 1.083 69 L CA 0.747 55.413 54.840 -0.289 0.000 0.752 69 L CB -0.470 41.347 42.059 -0.403 0.000 0.899 69 L HN 0.113 nan 8.230 nan 0.000 0.433 70 V N -0.240 119.544 119.914 -0.217 0.000 2.307 70 V HA -0.281 3.827 4.120 -0.019 0.000 0.245 70 V C 2.157 178.222 176.094 -0.048 0.000 1.045 70 V CA 1.884 64.105 62.300 -0.130 0.000 1.024 70 V CB -0.472 31.244 31.823 -0.180 0.000 0.651 70 V HN 0.430 nan 8.190 nan 0.000 0.449 71 D N -0.299 120.046 120.400 -0.092 0.000 2.123 71 D HA -0.207 4.421 4.640 -0.019 0.000 0.196 71 D C 2.180 178.455 176.300 -0.043 0.000 0.992 71 D CA 1.698 55.660 54.000 -0.064 0.000 0.833 71 D CB -0.101 40.656 40.800 -0.072 0.000 0.954 71 D HN 0.548 nan 8.370 nan 0.000 0.455 72 E N 0.015 120.190 120.200 -0.041 0.000 2.107 72 E HA -0.143 4.196 4.350 -0.019 0.000 0.191 72 E C 1.865 178.465 176.600 0.001 0.000 0.982 72 E CA 0.474 56.857 56.400 -0.028 0.000 0.809 72 E CB -0.513 29.167 29.700 -0.034 0.000 0.756 72 E HN 0.168 nan 8.360 nan 0.000 0.459 73 F N 1.769 121.628 119.950 -0.153 0.000 2.161 73 F HA -0.147 4.368 4.527 -0.019 0.000 0.300 73 F C 1.844 177.568 175.800 -0.128 0.000 1.089 73 F CA 2.093 59.995 58.000 -0.165 0.000 1.282 73 F CB -0.119 38.743 39.000 -0.230 0.000 1.010 73 F HN 0.234 nan 8.300 nan 0.000 0.485 74 Q N -0.689 119.044 119.800 -0.111 0.000 2.188 74 Q HA 0.174 4.502 4.340 -0.019 0.000 0.212 74 Q C 0.603 176.525 176.000 -0.131 0.000 0.846 74 Q CA -0.037 55.658 55.803 -0.180 0.000 0.989 74 Q CB -0.253 28.434 28.738 -0.086 0.000 1.114 74 Q HN 0.160 nan 8.270 nan 0.000 0.488 75 T N 0.801 115.288 114.554 -0.113 0.000 2.860 75 T HA 0.126 4.465 4.350 -0.019 0.000 0.299 75 T C 0.046 174.690 174.700 -0.093 0.000 1.045 75 T CA -0.155 61.895 62.100 -0.084 0.000 1.071 75 T CB 0.846 69.675 68.868 -0.065 0.000 0.985 75 T HN 0.344 nan 8.240 nan 0.000 0.537 76 S N 2.002 117.659 115.700 -0.070 0.000 2.575 76 S HA 0.359 4.818 4.470 -0.019 0.000 0.295 76 S C 1.386 175.946 174.600 -0.067 0.000 1.267 76 S CA 0.592 58.753 58.200 -0.066 0.000 1.074 76 S CB 0.009 63.180 63.200 -0.049 0.000 0.829 76 S HN 1.279 nan 8.310 nan 0.000 0.497 77 G N 2.649 111.405 108.800 -0.074 0.000 2.160 77 G HA2 -0.170 3.778 3.960 -0.019 0.000 0.251 77 G HA3 -0.170 3.778 3.960 -0.019 0.000 0.251 77 G C 0.352 175.202 174.900 -0.082 0.000 1.008 77 G CA -0.056 45.003 45.100 -0.069 0.000 0.724 77 G HN 1.071 nan 8.290 nan 0.000 0.514 78 G N -1.746 106.985 108.800 -0.116 0.000 2.568 78 G HA2 0.618 4.566 3.960 -0.019 0.000 0.293 78 G HA3 0.618 4.566 3.960 -0.019 0.000 0.293 78 G C 1.174 175.962 174.900 -0.187 0.000 1.347 78 G CA 0.289 45.306 45.100 -0.139 0.000 1.039 78 G HN 0.639 nan 8.290 nan 0.000 0.523 79 V N 0.959 120.746 119.914 -0.213 0.000 2.261 79 V HA -0.078 4.030 4.120 -0.019 0.000 0.246 79 V C 3.168 178.982 176.094 -0.467 0.000 1.047 79 V CA 2.507 64.670 62.300 -0.228 0.000 1.015 79 V CB -1.250 30.520 31.823 -0.087 0.000 0.642 79 V HN 0.830 nan 8.190 nan 0.000 0.446 80 G N -0.646 107.509 108.800 -1.076 0.000 2.513 80 G HA2 -0.363 3.586 3.960 -0.019 0.000 0.219 80 G HA3 -0.363 3.586 3.960 -0.019 0.000 0.219 80 G C 1.535 176.097 174.900 -0.562 0.000 1.160 80 G CA 1.227 45.459 45.100 -1.448 0.000 0.767 80 G HN 0.586 nan 8.290 nan 0.000 0.571 81 E N 0.090 120.052 120.200 -0.396 0.000 2.085 81 E HA -0.153 4.186 4.350 -0.019 0.000 0.194 81 E C 2.708 179.217 176.600 -0.151 0.000 0.994 81 E CA 0.849 57.121 56.400 -0.214 0.000 0.801 81 E CB -0.072 29.526 29.700 -0.169 0.000 0.743 81 E HN 0.417 nan 8.360 nan 0.000 0.453 82 R N -0.059 120.351 120.500 -0.149 0.000 2.075 82 R HA -0.076 4.252 4.340 -0.019 0.000 0.232 82 R C 2.588 178.852 176.300 -0.060 0.000 1.126 82 R CA 1.067 57.114 56.100 -0.088 0.000 0.963 82 R CB -0.249 30.009 30.300 -0.070 0.000 0.858 82 R HN 0.276 nan 8.270 nan 0.000 0.435 83 L N 0.462 121.642 121.223 -0.071 0.000 2.093 83 L HA -0.187 4.142 4.340 -0.019 0.000 0.208 83 L C 2.674 179.548 176.870 0.007 0.000 1.085 83 L CA 1.126 55.967 54.840 0.001 0.000 0.755 83 L CB -0.386 41.708 42.059 0.059 0.000 0.904 83 L HN 0.152 nan 8.230 nan 0.000 0.435 84 Q N 0.462 120.245 119.800 -0.029 0.000 2.084 84 Q HA -0.198 4.130 4.340 -0.019 0.000 0.202 84 Q C 2.187 178.161 176.000 -0.044 0.000 0.978 84 Q CA 1.553 57.351 55.803 -0.009 0.000 0.844 84 Q CB 0.043 28.770 28.738 -0.018 0.000 0.898 84 Q HN 0.120 nan 8.270 nan 0.000 0.426 85 K N -0.462 119.909 120.400 -0.049 0.000 2.063 85 K HA -0.070 4.238 4.320 -0.019 0.000 0.208 85 K C 2.002 178.577 176.600 -0.042 0.000 1.048 85 K CA 1.320 57.578 56.287 -0.048 0.000 0.928 85 K CB -0.830 31.644 32.500 -0.043 0.000 0.713 85 K HN 0.435 nan 8.250 nan 0.000 0.442 86 G N 1.261 110.050 108.800 -0.019 0.000 2.418 86 G HA2 -0.200 3.749 3.960 -0.019 0.000 0.217 86 G HA3 -0.200 3.749 3.960 -0.019 0.000 0.217 86 G C 1.696 176.585 174.900 -0.018 0.000 1.158 86 G CA 0.369 45.472 45.100 0.005 0.000 0.771 86 G HN 0.156 nan 8.290 nan 0.000 0.545 87 L N 0.009 121.199 121.223 -0.054 0.000 2.056 87 L HA -0.045 4.284 4.340 -0.019 0.000 0.207 87 L C 2.882 179.588 176.870 -0.272 0.000 1.078 87 L CA 1.267 55.990 54.840 -0.195 0.000 0.749 87 L CB -0.418 41.453 42.059 -0.314 0.000 0.901 87 L HN 0.308 nan 8.230 nan 0.000 0.433 88 E N -0.302 119.779 120.200 -0.198 0.000 2.204 88 E HA -0.173 4.166 4.350 -0.019 0.000 0.194 88 E C 2.295 178.830 176.600 -0.108 0.000 0.989 88 E CA 0.684 56.982 56.400 -0.169 0.000 0.824 88 E CB 0.060 29.687 29.700 -0.121 0.000 0.756 88 E HN 0.407 nan 8.360 nan 0.000 0.477 89 R N 0.363 120.815 120.500 -0.079 0.000 2.093 89 R HA 0.011 4.339 4.340 -0.019 0.000 0.224 89 R C 2.370 178.642 176.300 -0.048 0.000 1.101 89 R CA 0.559 56.629 56.100 -0.050 0.000 0.979 89 R CB -0.139 30.141 30.300 -0.032 0.000 0.877 89 R HN 0.032 nan 8.270 nan 0.000 0.441 90 R N 0.858 121.319 120.500 -0.064 0.000 2.096 90 R HA -0.085 4.244 4.340 -0.019 0.000 0.235 90 R C 1.952 178.240 176.300 -0.019 0.000 1.127 90 R CA 1.471 57.535 56.100 -0.061 0.000 0.968 90 R CB -0.121 30.122 30.300 -0.096 0.000 0.861 90 R HN 0.183 nan 8.270 nan 0.000 0.440 91 A N 0.618 123.422 122.820 -0.027 0.000 2.119 91 A HA -0.047 4.262 4.320 -0.019 0.000 0.217 91 A C 1.554 179.154 177.584 0.026 0.000 1.153 91 A CA 0.868 52.934 52.037 0.049 0.000 0.692 91 A CB -0.013 18.989 19.000 0.003 0.000 0.799 91 A HN 0.133 nan 8.150 nan 0.000 0.458 92 K N 0.180 120.577 120.400 -0.006 0.000 2.400 92 K HA -0.012 4.296 4.320 -0.019 0.000 0.194 92 K C 1.007 177.607 176.600 -0.001 0.000 1.033 92 K CA 1.184 57.469 56.287 -0.004 0.000 1.021 92 K CB 0.104 32.596 32.500 -0.015 0.000 0.808 92 K HN 0.820 nan 8.250 nan 0.000 0.505 93 K N -0.609 119.789 120.400 -0.005 0.000 2.447 93 K HA 0.299 4.607 4.320 -0.019 0.000 0.205 93 K C 0.356 176.951 176.600 -0.008 0.000 1.059 93 K CA -0.089 56.194 56.287 -0.008 0.000 1.065 93 K CB 0.509 33.000 32.500 -0.016 0.000 0.885 93 K HN -0.110 nan 8.250 nan 0.000 0.545 94 M N 0.594 120.195 119.600 0.003 0.000 2.593 94 M HA 0.282 4.751 4.480 -0.019 0.000 0.290 94 M C -0.002 176.316 176.300 0.030 0.000 1.244 94 M CA -0.643 54.657 55.300 -0.000 0.000 0.857 94 M CB 2.450 35.033 32.600 -0.028 0.000 1.738 94 M HN -0.064 nan 8.290 nan 0.000 0.461 95 E N 0.876 121.094 120.200 0.031 0.000 2.107 95 E HA -0.039 4.299 4.350 -0.019 0.000 0.191 95 E C 0.245 176.876 176.600 0.052 0.000 0.982 95 E CA 0.797 57.251 56.400 0.090 0.000 0.809 95 E CB 0.269 30.043 29.700 0.123 0.000 0.756 95 E HN 0.407 nan 8.360 nan 0.000 0.459 96 N N -0.180 118.497 118.700 -0.039 0.000 2.549 96 N HA -0.019 4.710 4.740 -0.019 0.000 0.290 96 N C 0.026 175.453 175.510 -0.139 0.000 1.122 96 N CA -0.458 52.524 53.050 -0.115 0.000 0.885 96 N CB 0.634 38.995 38.487 -0.210 0.000 1.455 96 N HN 0.191 nan 8.380 nan 0.000 0.521 97 W N 4.009 125.236 121.300 -0.121 0.000 2.392 97 W HA -0.085 4.564 4.660 -0.019 0.000 0.279 97 W C 0.506 176.910 176.519 -0.192 0.000 1.225 97 W CA 0.313 57.544 57.345 -0.191 0.000 1.233 97 W CB -0.242 29.129 29.460 -0.149 0.000 1.122 97 W HN 0.427 nan 8.180 nan 0.000 0.561 98 L N 1.671 122.341 121.223 -0.922 0.000 2.298 98 L HA 0.056 4.384 4.340 -0.019 0.000 0.209 98 L C 2.904 179.655 176.870 -0.200 0.000 1.084 98 L CA 1.949 56.349 54.840 -0.733 0.000 0.816 98 L CB -0.914 40.389 42.059 -1.260 0.000 0.967 98 L HN -0.020 nan 8.230 nan 0.000 0.460 99 S N 0.041 115.609 115.700 -0.220 0.000 2.422 99 S HA -0.411 4.048 4.470 -0.019 0.000 0.248 99 S C 2.069 176.708 174.600 0.065 0.000 1.069 99 S CA 2.411 60.577 58.200 -0.057 0.000 1.214 99 S CB -0.506 62.629 63.200 -0.109 0.000 1.122 99 S HN 0.681 nan 8.310 nan 0.000 0.432 100 E N -1.096 119.111 120.200 0.012 0.000 2.077 100 E HA -0.159 4.179 4.350 -0.019 0.000 0.193 100 E C 1.998 178.724 176.600 0.211 0.000 0.989 100 E CA 1.348 57.787 56.400 0.065 0.000 0.800 100 E CB -0.270 29.420 29.700 -0.016 0.000 0.746 100 E HN 0.697 nan 8.360 nan 0.000 0.452 101 W N 0.731 122.076 121.300 0.074 0.000 2.335 101 W HA -0.191 4.458 4.660 -0.019 0.000 0.311 101 W C 2.215 178.802 176.519 0.114 0.000 1.213 101 W CA 0.554 57.954 57.345 0.091 0.000 1.274 101 W CB -1.429 28.108 29.460 0.129 0.000 1.148 101 W HN 0.382 nan 8.180 nan 0.000 0.498 102 W N 0.486 121.880 121.300 0.158 0.000 2.354 102 W HA -0.244 4.404 4.660 -0.019 0.000 0.315 102 W C 2.198 178.729 176.519 0.020 0.000 1.206 102 W CA 1.288 58.650 57.345 0.028 0.000 1.290 102 W CB -0.715 28.735 29.460 -0.016 0.000 1.152 102 W HN -0.192 nan 8.180 nan 0.000 0.489 103 L N 2.043 123.334 121.223 0.113 0.000 2.042 103 L HA -0.234 4.095 4.340 -0.019 0.000 0.210 103 L C 2.551 179.415 176.870 -0.009 0.000 1.076 103 L CA 2.453 57.334 54.840 0.070 0.000 0.749 103 L CB -1.124 41.018 42.059 0.138 0.000 0.893 103 L HN -0.101 nan 8.230 nan 0.000 0.432 104 K N -1.214 119.200 120.400 0.023 0.000 1.984 104 K HA -0.169 4.139 4.320 -0.019 0.000 0.209 104 K C 2.044 178.589 176.600 -0.092 0.000 1.046 104 K CA 2.031 58.325 56.287 0.012 0.000 0.934 104 K CB -0.328 32.226 32.500 0.090 0.000 0.717 104 K HN 0.615 nan 8.250 nan 0.000 0.438 105 T N -1.612 112.854 114.554 -0.148 0.000 2.867 105 T HA 0.010 4.348 4.350 -0.019 0.000 0.268 105 T C 1.925 176.336 174.700 -0.481 0.000 1.057 105 T CA 0.998 62.954 62.100 -0.240 0.000 1.136 105 T CB -0.130 68.626 68.868 -0.187 0.000 0.874 105 T HN 0.235 nan 8.240 nan 0.000 0.466 106 A N -0.474 121.823 122.820 -0.871 0.000 1.975 106 A HA 0.345 4.654 4.320 -0.019 0.000 0.215 106 A C 1.675 178.506 177.584 -1.256 0.000 1.170 106 A CA 0.501 51.688 52.037 -1.417 0.000 0.656 106 A CB -0.324 17.149 19.000 -2.545 0.000 0.821 106 A HN 0.666 nan 8.150 nan 0.000 0.449 107 Y N -1.649 118.436 120.300 -0.358 0.000 3.011 107 Y HA 0.274 4.813 4.550 -0.019 0.000 0.231 107 Y C 1.975 177.857 175.900 -0.029 0.000 0.983 107 Y CA -0.259 57.752 58.100 -0.148 0.000 1.429 107 Y CB -0.096 38.272 38.460 -0.153 0.000 1.491 107 Y HN -0.011 nan 8.280 nan 0.000 0.444 108 L N 0.553 121.844 121.223 0.113 0.000 2.081 108 L HA -0.268 4.060 4.340 -0.019 0.000 0.212 108 L C 1.604 178.497 176.870 0.039 0.000 1.080 108 L CA 1.797 56.678 54.840 0.068 0.000 0.754 108 L CB -0.553 41.536 42.059 0.051 0.000 0.893 108 L HN 0.415 nan 8.230 nan 0.000 0.433 109 Q N -1.112 118.700 119.800 0.021 0.000 2.360 109 Q HA 0.029 4.357 4.340 -0.019 0.000 0.202 109 Q C 0.040 176.074 176.000 0.058 0.000 0.915 109 Q CA -0.236 55.577 55.803 0.016 0.000 0.943 109 Q CB 0.329 29.063 28.738 -0.007 0.000 1.064 109 Q HN 0.196 nan 8.270 nan 0.000 0.511 110 F N 1.930 121.806 119.950 -0.123 0.000 2.466 110 F HA 0.115 4.631 4.527 -0.019 0.000 0.363 110 F C 0.674 176.395 175.800 -0.130 0.000 1.109 110 F CA -0.502 57.414 58.000 -0.140 0.000 1.161 110 F CB 0.499 39.400 39.000 -0.165 0.000 1.117 110 F HN -0.156 nan 8.300 nan 0.000 0.539 111 R N 2.650 122.898 120.500 -0.421 0.000 2.297 111 R HA 0.085 4.414 4.340 -0.019 0.000 0.197 111 R C 0.522 176.202 176.300 -1.034 0.000 0.943 111 R CA 0.137 55.910 56.100 -0.545 0.000 1.038 111 R CB -0.374 29.771 30.300 -0.259 0.000 0.957 111 R HN 0.597 nan 8.270 nan 0.000 0.484 112 Q N 1.228 120.272 119.800 -1.260 0.000 2.454 112 Q HA 0.198 4.527 4.340 -0.019 0.000 0.247 112 Q C -2.109 173.504 176.000 -0.644 0.000 1.028 112 Q CA -1.924 53.260 55.803 -1.032 0.000 0.910 112 Q CB -0.220 27.830 28.738 -1.146 0.000 1.276 112 Q HN -0.042 nan 8.270 nan 0.000 0.489 113 P HA -0.112 nan 4.420 nan 0.000 0.267 113 P C 0.838 178.121 177.300 -0.027 0.000 1.201 113 P CA 0.265 63.311 63.100 -0.090 0.000 0.775 113 P CB 0.417 32.138 31.700 0.036 0.000 0.854 114 V N 0.307 120.178 119.914 -0.071 0.000 2.951 114 V HA -0.011 4.098 4.120 -0.019 0.000 0.255 114 V C 0.741 176.796 176.094 -0.065 0.000 1.088 114 V CA 0.768 63.071 62.300 0.004 0.000 1.109 114 V CB -0.698 31.143 31.823 0.030 0.000 0.724 114 V HN 0.126 nan 8.190 nan 0.000 0.471 115 V N 2.195 121.958 119.914 -0.252 0.000 2.529 115 V HA 0.219 4.328 4.120 -0.019 0.000 0.292 115 V C 1.421 177.273 176.094 -0.403 0.000 1.028 115 V CA 0.957 63.007 62.300 -0.416 0.000 1.074 115 V CB 0.119 31.501 31.823 -0.735 0.000 0.958 115 V HN 0.620 nan 8.190 nan 0.000 0.481 116 I N 1.326 121.739 120.570 -0.262 0.000 4.407 116 I HA -0.442 3.717 4.170 -0.019 0.000 0.066 116 I C 1.485 177.514 176.117 -0.147 0.000 0.591 116 I CA 2.034 63.181 61.300 -0.255 0.000 1.050 116 I CB -1.274 36.405 38.000 -0.535 0.000 0.939 116 I HN 0.654 nan 8.210 nan 0.000 0.169 117 Y N -0.157 120.233 120.300 0.151 0.000 2.457 117 Y HA -0.049 4.489 4.550 -0.019 0.000 0.292 117 Y C 2.437 178.499 175.900 0.270 0.000 1.125 117 Y CA 1.210 59.455 58.100 0.241 0.000 1.254 117 Y CB 0.049 38.636 38.460 0.211 0.000 1.012 117 Y HN 0.392 nan 8.280 nan 0.000 0.555 118 S N -1.667 114.203 115.700 0.283 0.000 3.448 118 S HA 0.102 4.560 4.470 -0.019 0.000 0.254 118 S C 0.521 175.192 174.600 0.117 0.000 1.102 118 S CA -0.256 58.091 58.200 0.246 0.000 0.797 118 S CB -0.477 62.928 63.200 0.342 0.000 0.891 118 S HN 0.048 nan 8.310 nan 0.000 0.474 119 S N 4.398 120.108 115.700 0.017 0.000 2.443 119 S HA 0.372 4.831 4.470 -0.019 0.000 0.284 119 S C -2.678 171.784 174.600 -0.229 0.000 1.206 119 S CA -0.568 57.541 58.200 -0.153 0.000 1.074 119 S CB 0.799 63.965 63.200 -0.057 0.000 0.963 119 S HN 0.406 nan 8.310 nan 0.000 0.501 120 P HA 0.235 nan 4.420 nan 0.000 0.271 120 P C 0.318 177.373 177.300 -0.409 0.000 1.216 120 P CA -0.103 62.779 63.100 -0.364 0.000 0.776 120 P CB 0.529 31.974 31.700 -0.424 0.000 0.881 121 G N 1.246 109.722 108.800 -0.540 0.000 2.462 121 G HA2 0.581 4.530 3.960 -0.019 0.000 0.319 121 G HA3 0.581 4.530 3.960 -0.019 0.000 0.319 121 G C -1.286 172.937 174.900 -1.129 0.000 1.171 121 G CA -0.515 44.150 45.100 -0.726 0.000 0.920 121 G HN 0.371 nan 8.290 nan 0.000 0.499 122 V N 1.023 120.577 119.914 -0.600 0.000 2.733 122 V HA 0.388 4.496 4.120 -0.019 0.000 0.306 122 V C -0.501 175.625 176.094 0.053 0.000 1.084 122 V CA -0.530 61.589 62.300 -0.302 0.000 0.905 122 V CB 1.845 33.591 31.823 -0.128 0.000 1.010 122 V HN 0.657 nan 8.190 nan 0.000 0.424 123 I N 5.134 125.844 120.570 0.233 0.000 2.354 123 I HA 0.486 4.644 4.170 -0.019 0.000 0.292 123 I C -0.485 175.723 176.117 0.151 0.000 0.989 123 I CA -0.351 61.091 61.300 0.238 0.000 1.188 123 I CB 1.562 39.721 38.000 0.265 0.000 1.342 123 I HN 0.385 nan 8.210 nan 0.000 0.457 124 L N 7.064 128.368 121.223 0.135 0.000 2.331 124 L HA 0.547 4.875 4.340 -0.019 0.000 0.268 124 L C -2.299 174.629 176.870 0.097 0.000 1.015 124 L CA -2.054 52.861 54.840 0.125 0.000 0.807 124 L CB 1.040 43.199 42.059 0.167 0.000 1.293 124 L HN 0.274 nan 8.230 nan 0.000 0.451 125 P HA 0.003 nan 4.420 nan 0.000 0.264 125 P C -0.869 176.422 177.300 -0.015 0.000 1.193 125 P CA -0.061 63.062 63.100 0.037 0.000 0.763 125 P CB 0.385 32.105 31.700 0.034 0.000 0.810 126 K N 3.288 123.669 120.400 -0.033 0.000 2.436 126 K HA 0.013 4.322 4.320 -0.019 0.000 0.275 126 K C 0.184 176.653 176.600 -0.218 0.000 0.999 126 K CA -0.126 56.100 56.287 -0.101 0.000 0.980 126 K CB 0.352 32.820 32.500 -0.053 0.000 0.919 126 K HN 0.389 nan 8.250 nan 0.000 0.484 127 Q N 1.877 121.437 119.800 -0.399 0.000 2.193 127 Q HA 0.052 4.380 4.340 -0.019 0.000 0.246 127 Q C 0.153 175.838 176.000 -0.525 0.000 0.959 127 Q CA -0.247 55.247 55.803 -0.516 0.000 0.904 127 Q CB 1.463 29.736 28.738 -0.775 0.000 1.238 127 Q HN 0.789 nan 8.270 nan 0.000 0.469 128 D N -0.919 119.276 120.400 -0.341 0.000 2.349 128 D HA -0.033 4.596 4.640 -0.019 0.000 0.215 128 D C 0.436 176.615 176.300 -0.202 0.000 1.016 128 D CA -0.060 53.794 54.000 -0.243 0.000 0.870 128 D CB -0.479 40.250 40.800 -0.117 0.000 0.917 128 D HN 0.364 nan 8.370 nan 0.000 0.524 129 F N 0.674 120.575 119.950 -0.080 0.000 2.602 129 F HA 0.258 4.775 4.527 -0.017 0.000 0.367 129 F C 1.097 176.879 175.800 -0.030 0.000 1.126 129 F CA -1.053 56.921 58.000 -0.044 0.000 1.321 129 F CB 0.533 39.522 39.000 -0.019 0.000 1.094 129 F HN -0.129 nan 8.300 nan 0.000 0.594 130 V N -1.736 118.300 119.914 0.203 0.000 3.398 130 V HA 0.333 4.442 4.120 -0.019 0.000 0.298 130 V C -0.760 175.420 176.094 0.143 0.000 1.496 130 V CA 0.306 62.677 62.300 0.118 0.000 1.044 130 V CB -0.811 31.032 31.823 0.033 0.000 0.880 130 V HN 0.897 nan 8.190 nan 0.000 0.443 131 D N -1.242 119.256 120.400 0.162 0.000 2.566 131 D HA 0.420 5.048 4.640 -0.019 0.000 0.254 131 D C 0.718 177.010 176.300 -0.012 0.000 1.090 131 D CA -0.685 53.353 54.000 0.064 0.000 1.034 131 D CB 1.674 42.485 40.800 0.018 0.000 1.434 131 D HN -0.106 nan 8.370 nan 0.000 0.509 132 L N 0.481 121.629 121.223 -0.125 0.000 2.013 132 L HA -0.220 4.108 4.340 -0.019 0.000 0.212 132 L C 2.231 178.910 176.870 -0.318 0.000 1.073 132 L CA 2.581 57.215 54.840 -0.342 0.000 0.753 132 L CB -1.336 40.427 42.059 -0.493 0.000 0.890 132 L HN 0.722 nan 8.230 nan 0.000 0.432 133 Q N -1.076 118.627 119.800 -0.161 0.000 2.124 133 Q HA -0.055 4.274 4.340 -0.019 0.000 0.202 133 Q C 2.066 178.030 176.000 -0.059 0.000 0.977 133 Q CA 1.908 57.700 55.803 -0.018 0.000 0.850 133 Q CB -1.568 27.183 28.738 0.022 0.000 0.901 133 Q HN 0.398 nan 8.270 nan 0.000 0.429 134 G N 0.353 109.096 108.800 -0.094 0.000 2.402 134 G HA2 -0.316 3.633 3.960 -0.019 0.000 0.216 134 G HA3 -0.316 3.633 3.960 -0.019 0.000 0.216 134 G C 1.407 176.057 174.900 -0.416 0.000 1.162 134 G CA 0.638 45.692 45.100 -0.076 0.000 0.777 134 G HN 0.502 nan 8.290 nan 0.000 0.539 135 Q N -0.130 119.174 119.800 -0.827 0.000 2.020 135 Q HA -0.035 4.293 4.340 -0.019 0.000 0.202 135 Q C 2.577 178.250 176.000 -0.545 0.000 0.982 135 Q CA 1.114 56.057 55.803 -1.432 0.000 0.838 135 Q CB -0.259 27.971 28.738 -0.847 0.000 0.899 135 Q HN 0.478 nan 8.270 nan 0.000 0.423 136 L N 0.115 121.163 121.223 -0.292 0.000 2.083 136 L HA -0.178 4.150 4.340 -0.019 0.000 0.209 136 L C 2.732 179.666 176.870 0.107 0.000 1.083 136 L CA 1.057 55.855 54.840 -0.069 0.000 0.752 136 L CB -0.391 41.629 42.059 -0.065 0.000 0.899 136 L HN 0.182 nan 8.230 nan 0.000 0.433 137 R N 0.087 120.628 120.500 0.069 0.000 2.080 137 R HA -0.219 4.109 4.340 -0.019 0.000 0.236 137 R C 2.171 178.493 176.300 0.037 0.000 1.137 137 R CA 1.821 57.909 56.100 -0.020 0.000 0.943 137 R CB -0.734 29.478 30.300 -0.147 0.000 0.846 137 R HN 0.250 nan 8.270 nan 0.000 0.431 138 F N 0.468 120.358 119.950 -0.099 0.000 2.186 138 F HA -0.018 4.499 4.527 -0.017 0.000 0.299 138 F C 1.900 177.703 175.800 0.006 0.000 1.090 138 F CA 1.249 59.246 58.000 -0.005 0.000 1.307 138 F CB -0.618 38.438 39.000 0.094 0.000 1.019 138 F HN 0.084 nan 8.300 nan 0.000 0.489 139 A N 0.618 123.330 122.820 -0.181 0.000 1.902 139 A HA -0.058 4.251 4.320 -0.019 0.000 0.217 139 A C 2.462 179.927 177.584 -0.199 0.000 1.181 139 A CA 1.862 53.763 52.037 -0.226 0.000 0.623 139 A CB -1.584 17.382 19.000 -0.058 0.000 0.818 139 A HN 0.504 nan 8.150 nan 0.000 0.443 140 A N -0.441 122.329 122.820 -0.083 0.000 1.902 140 A HA -0.170 4.139 4.320 -0.019 0.000 0.217 140 A C 2.142 179.679 177.584 -0.077 0.000 1.181 140 A CA 2.016 54.032 52.037 -0.035 0.000 0.623 140 A CB -0.428 18.625 19.000 0.087 0.000 0.818 140 A HN 0.535 nan 8.150 nan 0.000 0.443 141 K N -0.594 119.751 120.400 -0.092 0.000 2.097 141 K HA -0.007 4.302 4.320 -0.019 0.000 0.205 141 K C 1.946 178.459 176.600 -0.145 0.000 1.050 141 K CA 1.099 57.365 56.287 -0.035 0.000 0.938 141 K CB -0.248 32.273 32.500 0.034 0.000 0.718 141 K HN 0.495 nan 8.250 nan 0.000 0.442 142 L N 0.942 121.941 121.223 -0.374 0.000 2.017 142 L HA -0.170 4.159 4.340 -0.019 0.000 0.208 142 L C 2.051 178.666 176.870 -0.426 0.000 1.073 142 L CA 1.352 55.904 54.840 -0.480 0.000 0.745 142 L CB -0.197 41.428 42.059 -0.723 0.000 0.894 142 L HN 0.200 nan 8.230 nan 0.000 0.432 143 I N -0.029 120.364 120.570 -0.295 0.000 2.163 143 I HA -0.325 3.833 4.170 -0.019 0.000 0.243 143 I C 2.527 178.538 176.117 -0.176 0.000 1.085 143 I CA 1.513 62.738 61.300 -0.124 0.000 1.347 143 I CB -0.334 37.660 38.000 -0.011 0.000 1.044 143 I HN 0.365 nan 8.210 nan 0.000 0.408 144 E N 1.295 121.369 120.200 -0.210 0.000 2.085 144 E HA -0.180 4.159 4.350 -0.019 0.000 0.194 144 E C 2.183 178.421 176.600 -0.603 0.000 0.994 144 E CA 1.703 57.935 56.400 -0.280 0.000 0.801 144 E CB -0.579 29.053 29.700 -0.114 0.000 0.743 144 E HN 0.428 nan 8.360 nan 0.000 0.453 145 G N -0.307 108.058 108.800 -0.725 0.000 2.432 145 G HA2 -0.209 3.740 3.960 -0.019 0.000 0.219 145 G HA3 -0.209 3.740 3.960 -0.019 0.000 0.219 145 G C 1.680 176.346 174.900 -0.390 0.000 1.135 145 G CA 1.020 45.612 45.100 -0.847 0.000 0.767 145 G HN 0.260 nan 8.290 nan 0.000 0.550 146 V N 0.994 120.677 119.914 -0.384 0.000 2.358 146 V HA -0.086 4.022 4.120 -0.019 0.000 0.246 146 V C 2.874 178.908 176.094 -0.099 0.000 1.047 146 V CA 1.239 63.344 62.300 -0.324 0.000 1.035 146 V CB -0.427 30.963 31.823 -0.721 0.000 0.658 146 V HN 0.341 nan 8.190 nan 0.000 0.452 147 L N 0.079 121.247 121.223 -0.091 0.000 2.083 147 L HA -0.207 4.122 4.340 -0.019 0.000 0.209 147 L C 2.344 179.194 176.870 -0.033 0.000 1.083 147 L CA 2.029 56.858 54.840 -0.019 0.000 0.752 147 L CB -0.704 41.279 42.059 -0.128 0.000 0.899 147 L HN 0.397 nan 8.230 nan 0.000 0.433 148 D N -0.033 120.291 120.400 -0.126 0.000 2.117 148 D HA -0.261 4.368 4.640 -0.019 0.000 0.197 148 D C 2.003 178.255 176.300 -0.080 0.000 0.987 148 D CA 1.141 55.107 54.000 -0.058 0.000 0.829 148 D CB -0.023 40.735 40.800 -0.070 0.000 0.961 148 D HN 0.225 nan 8.370 nan 0.000 0.460 149 F N 1.080 120.833 119.950 -0.329 0.000 2.186 149 F HA -0.011 4.505 4.527 -0.019 0.000 0.299 149 F C 2.119 177.740 175.800 -0.298 0.000 1.090 149 F CA 1.193 58.867 58.000 -0.543 0.000 1.307 149 F CB -0.110 38.573 39.000 -0.528 0.000 1.019 149 F HN -0.183 nan 8.300 nan 0.000 0.489 150 K N -0.128 120.269 120.400 -0.005 0.000 2.211 150 K HA -0.153 4.156 4.320 -0.019 0.000 0.204 150 K C 2.111 178.642 176.600 -0.114 0.000 1.047 150 K CA 1.539 57.813 56.287 -0.022 0.000 0.935 150 K CB -0.238 32.328 32.500 0.109 0.000 0.728 150 K HN 0.228 nan 8.250 nan 0.000 0.452 151 S N 0.889 116.530 115.700 -0.099 0.000 2.383 151 S HA -0.139 4.319 4.470 -0.019 0.000 0.229 151 S C 1.768 176.271 174.600 -0.161 0.000 1.030 151 S CA 1.650 59.801 58.200 -0.082 0.000 1.002 151 S CB -0.152 63.026 63.200 -0.037 0.000 0.829 151 S HN 0.359 nan 8.310 nan 0.000 0.467 152 M N 0.309 119.731 119.600 -0.297 0.000 2.254 152 M HA 0.017 4.485 4.480 -0.019 0.000 0.265 152 M C 1.845 177.939 176.300 -0.343 0.000 1.066 152 M CA 1.148 56.244 55.300 -0.340 0.000 1.123 152 M CB -0.477 31.817 32.600 -0.511 0.000 1.388 152 M HN 0.270 nan 8.290 nan 0.000 0.425 153 I N 0.241 120.558 120.570 -0.421 0.000 2.202 153 I HA -0.275 3.884 4.170 -0.019 0.000 0.242 153 I C 1.795 177.792 176.117 -0.200 0.000 1.091 153 I CA 1.122 62.154 61.300 -0.447 0.000 1.368 153 I CB -0.504 37.194 38.000 -0.504 0.000 1.058 153 I HN 0.251 nan 8.210 nan 0.000 0.410 154 D N 0.733 121.061 120.400 -0.120 0.000 2.178 154 D HA -0.137 4.492 4.640 -0.019 0.000 0.202 154 D C 1.541 177.841 176.300 0.001 0.000 0.974 154 D CA 1.268 55.253 54.000 -0.025 0.000 0.841 154 D CB -0.458 40.320 40.800 -0.037 0.000 0.953 154 D HN 0.480 nan 8.370 nan 0.000 0.478 155 N N 0.470 119.150 118.700 -0.034 0.000 2.412 155 N HA -0.007 4.721 4.740 -0.019 0.000 0.184 155 N C -0.406 175.102 175.510 -0.003 0.000 1.101 155 N CA -0.027 53.011 53.050 -0.019 0.000 0.881 155 N CB 0.380 38.844 38.487 -0.038 0.000 0.969 155 N HN 0.064 nan 8.380 nan 0.000 0.459 156 E N -0.456 119.751 120.200 0.011 0.000 2.389 156 E HA -0.178 4.161 4.350 -0.019 0.000 0.243 156 E C -0.238 176.352 176.600 -0.018 0.000 1.154 156 E CA 0.774 57.204 56.400 0.050 0.000 0.723 156 E CB -1.610 28.142 29.700 0.087 0.000 1.261 156 E HN 0.519 nan 8.360 nan 0.000 0.390 157 T N -2.595 111.910 114.554 -0.082 0.000 3.129 157 T HA 0.289 4.628 4.350 -0.019 0.000 0.267 157 T C 0.396 175.004 174.700 -0.153 0.000 1.018 157 T CA -0.612 61.432 62.100 -0.093 0.000 0.903 157 T CB 0.269 69.089 68.868 -0.080 0.000 1.067 157 T HN 0.060 nan 8.240 nan 0.000 0.549 158 L N 3.753 124.843 121.223 -0.222 0.000 2.534 158 L HA 0.329 4.657 4.340 -0.019 0.000 0.271 158 L C -2.152 174.578 176.870 -0.235 0.000 1.178 158 L CA -1.863 52.780 54.840 -0.327 0.000 0.907 158 L CB -0.087 41.687 42.059 -0.475 0.000 1.164 158 L HN 0.032 nan 8.230 nan 0.000 0.482 159 P HA -0.018 nan 4.420 nan 0.000 0.265 159 P C -0.844 176.365 177.300 -0.151 0.000 1.187 159 P CA -0.234 62.798 63.100 -0.113 0.000 0.766 159 P CB 0.296 31.967 31.700 -0.048 0.000 0.820 160 V N 3.669 123.489 119.914 -0.157 0.000 2.529 160 V HA -0.008 4.100 4.120 -0.019 0.000 0.292 160 V C 0.874 176.762 176.094 -0.343 0.000 1.028 160 V CA 0.484 62.594 62.300 -0.317 0.000 1.074 160 V CB -0.226 31.395 31.823 -0.337 0.000 0.958 160 V HN 0.528 nan 8.190 nan 0.000 0.481 161 E N 3.580 123.567 120.200 -0.354 0.000 2.248 161 E HA 0.621 4.960 4.350 -0.019 0.000 0.272 161 E C -1.294 175.041 176.600 -0.442 0.000 1.008 161 E CA -0.393 55.889 56.400 -0.195 0.000 0.856 161 E CB 1.717 31.422 29.700 0.007 0.000 1.120 161 E HN 0.513 nan 8.360 nan 0.000 0.397 162 F N 1.098 121.082 119.950 0.057 0.000 2.611 162 F HA 0.530 5.045 4.527 -0.019 0.000 0.324 162 F C -0.480 175.340 175.800 0.033 0.000 1.061 162 F CA -1.041 56.984 58.000 0.043 0.000 0.954 162 F CB 1.491 40.510 39.000 0.032 0.000 1.301 162 F HN 0.132 nan 8.300 nan 0.000 0.482 163 L N 1.391 122.746 121.223 0.220 0.000 2.639 163 L HA 0.424 4.753 4.340 -0.019 0.000 0.264 163 L C 0.171 177.095 176.870 0.090 0.000 0.948 163 L CA 0.028 54.939 54.840 0.119 0.000 0.912 163 L CB 1.214 43.312 42.059 0.065 0.000 1.294 163 L HN 0.850 nan 8.230 nan 0.000 0.412 164 G N 3.121 111.966 108.800 0.075 0.000 2.179 164 G HA2 -0.141 3.808 3.960 -0.019 0.000 0.257 164 G HA3 -0.141 3.808 3.960 -0.019 0.000 0.257 164 G C 1.023 175.956 174.900 0.055 0.000 1.010 164 G CA 0.791 45.921 45.100 0.050 0.000 0.736 164 G HN 2.093 nan 8.290 nan 0.000 0.513 165 G N -2.181 106.670 108.800 0.085 0.000 2.143 165 G HA2 -0.138 3.811 3.960 -0.019 0.000 0.248 165 G HA3 -0.138 3.811 3.960 -0.019 0.000 0.248 165 G C 0.083 175.089 174.900 0.175 0.000 0.991 165 G CA 1.046 46.187 45.100 0.069 0.000 0.689 165 G HN 1.226 nan 8.290 nan 0.000 0.522 166 Q N -0.304 119.626 119.800 0.217 0.000 2.342 166 Q HA 0.503 4.831 4.340 -0.019 0.000 0.267 166 Q C -2.695 173.414 176.000 0.181 0.000 1.038 166 Q CA -2.165 53.743 55.803 0.176 0.000 0.832 166 Q CB 2.109 30.851 28.738 0.007 0.000 1.323 166 Q HN 0.144 nan 8.270 nan 0.000 0.448 167 P HA 0.135 nan 4.420 nan 0.000 0.268 167 P C -0.547 176.703 177.300 -0.082 0.000 1.205 167 P CA 0.163 63.165 63.100 -0.164 0.000 0.771 167 P CB 0.548 32.228 31.700 -0.035 0.000 0.858 168 L N 1.902 123.087 121.223 -0.064 0.000 2.330 168 L HA 0.442 4.770 4.340 -0.019 0.000 0.271 168 L C 0.553 177.541 176.870 0.197 0.000 1.013 168 L CA -1.079 53.779 54.840 0.031 0.000 0.816 168 L CB 1.699 43.773 42.059 0.026 0.000 1.287 168 L HN 0.431 nan 8.230 nan 0.000 0.435 169 C N 3.417 122.815 119.300 0.164 0.000 2.657 169 C HA 0.130 4.578 4.460 -0.019 0.000 0.420 169 C C 1.287 176.461 174.990 0.306 0.000 1.323 169 C CA -0.216 58.948 59.018 0.243 0.000 1.894 169 C CB -0.011 27.827 27.740 0.164 0.000 2.681 169 C HN 0.776 nan 8.230 nan 0.000 0.613 170 M N 4.859 124.724 119.600 0.441 0.000 2.347 170 M HA 0.104 4.572 4.480 -0.019 0.000 0.302 170 M C 1.421 178.068 176.300 0.578 0.000 1.051 170 M CA 0.201 55.821 55.300 0.534 0.000 0.988 170 M CB -1.602 31.288 32.600 0.483 0.000 1.475 170 M HN 0.894 nan 8.290 nan 0.000 0.530 171 N N 1.538 120.512 118.700 0.458 0.000 2.104 171 N HA -0.197 4.531 4.740 -0.019 0.000 0.190 171 N C 1.577 177.267 175.510 0.300 0.000 1.024 171 N CA 1.838 55.126 53.050 0.395 0.000 0.853 171 N CB 0.111 38.741 38.487 0.238 0.000 1.008 171 N HN 0.413 nan 8.380 nan 0.000 0.424 172 Q N -1.357 118.522 119.800 0.133 0.000 2.197 172 Q HA -0.201 4.128 4.340 -0.019 0.000 0.207 172 Q C 1.365 177.332 176.000 -0.055 0.000 0.984 172 Q CA 1.528 57.319 55.803 -0.020 0.000 0.869 172 Q CB -0.225 28.409 28.738 -0.173 0.000 0.906 172 Q HN 0.606 nan 8.270 nan 0.000 0.426 173 Y N -1.668 118.693 120.300 0.102 0.000 2.403 173 Y HA -0.186 4.353 4.550 -0.019 0.000 0.291 173 Y C 0.922 176.708 175.900 -0.191 0.000 1.143 173 Y CA 0.815 58.892 58.100 -0.038 0.000 1.257 173 Y CB 0.008 38.403 38.460 -0.108 0.000 0.984 173 Y HN 0.178 nan 8.280 nan 0.000 0.550 174 Y N -0.429 119.938 120.300 0.111 0.000 2.537 174 Y HA 0.076 4.614 4.550 -0.019 0.000 0.303 174 Y C 1.258 177.199 175.900 0.067 0.000 1.176 174 Y CA -0.209 57.929 58.100 0.063 0.000 1.273 174 Y CB 0.067 38.537 38.460 0.017 0.000 1.110 174 Y HN 0.145 nan 8.280 nan 0.000 0.518 175 Q N -0.804 119.077 119.800 0.135 0.000 2.210 175 Q HA 0.194 4.523 4.340 -0.019 0.000 0.252 175 Q C 1.937 177.981 176.000 0.072 0.000 0.811 175 Q CA 0.396 56.259 55.803 0.100 0.000 0.953 175 Q CB 0.376 29.162 28.738 0.080 0.000 1.136 175 Q HN 0.661 nan 8.270 nan 0.000 0.491 176 I N -2.159 118.438 120.570 0.046 0.000 2.406 176 I HA 0.053 4.211 4.170 -0.019 0.000 0.249 176 I C 0.762 176.938 176.117 0.097 0.000 1.122 176 I CA 0.516 61.838 61.300 0.037 0.000 1.431 176 I CB -0.101 37.882 38.000 -0.030 0.000 1.087 176 I HN -0.123 nan 8.210 nan 0.000 0.424 177 L N 1.454 122.747 121.223 0.116 0.000 2.379 177 L HA 0.320 4.649 4.340 -0.019 0.000 0.269 177 L C 0.734 177.703 176.870 0.164 0.000 1.084 177 L CA -0.610 54.330 54.840 0.167 0.000 0.802 177 L CB 1.318 43.475 42.059 0.164 0.000 1.175 177 L HN 0.183 nan 8.230 nan 0.000 0.448 178 S N 0.520 116.323 115.700 0.173 0.000 3.559 178 S HA -0.159 4.299 4.470 -0.019 0.000 0.369 178 S C -0.050 174.720 174.600 0.283 0.000 0.987 178 S CA 0.859 59.165 58.200 0.175 0.000 1.187 178 S CB -1.435 61.862 63.200 0.162 0.000 0.914 178 S HN 0.878 nan 8.310 nan 0.000 0.480 179 S N -1.532 114.314 115.700 0.244 0.000 2.651 179 S HA 0.888 5.347 4.470 -0.019 0.000 0.279 179 S C -0.544 174.201 174.600 0.242 0.000 1.148 179 S CA -0.425 57.922 58.200 0.244 0.000 0.837 179 S CB 2.590 65.883 63.200 0.156 0.000 1.138 179 S HN 0.936 nan 8.310 nan 0.000 0.478 180 C N 0.739 120.178 119.300 0.232 0.000 3.241 180 C HA 0.678 5.127 4.460 -0.019 0.000 0.348 180 C C -0.613 174.493 174.990 0.193 0.000 1.180 180 C CA -0.472 58.693 59.018 0.244 0.000 1.273 180 C CB 1.457 29.379 27.740 0.302 0.000 1.620 180 C HN 1.224 nan 8.230 nan 0.000 0.510 181 R N 2.654 123.268 120.500 0.190 0.000 2.490 181 R HA 0.757 5.086 4.340 -0.019 0.000 0.278 181 R C -1.306 175.059 176.300 0.109 0.000 1.069 181 R CA -0.149 56.027 56.100 0.127 0.000 1.080 181 R CB 0.930 31.303 30.300 0.122 0.000 1.030 181 R HN 0.607 nan 8.270 nan 0.000 0.491 182 V N 5.936 125.856 119.914 0.010 0.000 2.483 182 V HA 0.345 4.454 4.120 -0.019 0.000 0.297 182 V C -2.273 173.669 176.094 -0.254 0.000 1.027 182 V CA -2.262 59.955 62.300 -0.137 0.000 0.855 182 V CB 1.667 33.441 31.823 -0.082 0.000 0.995 182 V HN 0.862 nan 8.190 nan 0.000 0.424 183 P HA 0.293 nan 4.420 nan 0.000 0.265 183 P C 0.093 177.190 177.300 -0.338 0.000 1.193 183 P CA 0.436 63.239 63.100 -0.495 0.000 0.765 183 P CB 0.658 31.732 31.700 -1.043 0.000 0.823 184 G N 3.060 111.754 108.800 -0.177 0.000 2.571 184 G HA2 0.460 4.409 3.960 -0.019 0.000 0.304 184 G HA3 0.460 4.409 3.960 -0.019 0.000 0.304 184 G C -2.142 172.721 174.900 -0.061 0.000 1.314 184 G CA -1.448 43.595 45.100 -0.095 0.000 0.975 184 G HN 0.179 nan 8.290 nan 0.000 0.485 185 P HA -0.079 nan 4.420 nan 0.000 0.220 185 P C 1.024 178.320 177.300 -0.007 0.000 1.148 185 P CA 1.103 64.194 63.100 -0.015 0.000 0.803 185 P CB 0.632 32.328 31.700 -0.006 0.000 0.782 186 K N -0.584 119.812 120.400 -0.007 0.000 2.286 186 K HA 0.060 4.368 4.320 -0.019 0.000 0.203 186 K C 0.978 177.576 176.600 -0.004 0.000 1.078 186 K CA 0.262 56.548 56.287 -0.001 0.000 0.957 186 K CB 0.539 33.041 32.500 0.003 0.000 1.018 186 K HN 0.165 nan 8.250 nan 0.000 0.484 187 Q N 0.273 120.068 119.800 -0.008 0.000 2.435 187 Q HA 0.295 4.624 4.340 -0.019 0.000 0.282 187 Q C -1.708 174.283 176.000 -0.015 0.000 1.020 187 Q CA -1.106 54.694 55.803 -0.006 0.000 0.820 187 Q CB 1.610 30.353 28.738 0.008 0.000 1.436 187 Q HN -0.152 nan 8.270 nan 0.000 0.395 188 D N 1.211 121.605 120.400 -0.011 0.000 2.383 188 D HA 0.518 5.147 4.640 -0.019 0.000 0.248 188 D C -0.322 175.975 176.300 -0.004 0.000 1.170 188 D CA 0.088 54.075 54.000 -0.021 0.000 0.977 188 D CB 1.389 42.185 40.800 -0.008 0.000 1.120 188 D HN 0.654 nan 8.370 nan 0.000 0.481 189 S N -1.321 114.372 115.700 -0.013 0.000 2.697 189 S HA 0.786 5.244 4.470 -0.019 0.000 0.289 189 S C -0.966 173.640 174.600 0.011 0.000 1.149 189 S CA -0.820 57.381 58.200 0.001 0.000 0.850 189 S CB 1.443 64.639 63.200 -0.006 0.000 1.151 189 S HN 0.153 nan 8.310 nan 0.000 0.491 190 V N 1.284 121.206 119.914 0.012 0.000 2.709 190 V HA 0.661 4.769 4.120 -0.019 0.000 0.308 190 V C -0.607 175.478 176.094 -0.014 0.000 1.062 190 V CA -0.685 61.628 62.300 0.022 0.000 0.901 190 V CB 1.834 33.675 31.823 0.031 0.000 1.003 190 V HN 1.042 nan 8.190 nan 0.000 0.425 191 V N 1.716 121.620 119.914 -0.015 0.000 2.483 191 V HA 0.653 4.762 4.120 -0.019 0.000 0.295 191 V C -0.364 175.611 176.094 -0.198 0.000 1.035 191 V CA -0.564 61.632 62.300 -0.172 0.000 0.896 191 V CB 1.541 33.258 31.823 -0.176 0.000 0.986 191 V HN 0.940 nan 8.190 nan 0.000 0.447 192 N N 2.506 120.994 118.700 -0.354 0.000 2.540 192 N HA 0.517 5.246 4.740 -0.019 0.000 0.275 192 N C -0.655 174.696 175.510 -0.264 0.000 1.053 192 N CA -0.635 52.316 53.050 -0.165 0.000 0.876 192 N CB 1.265 39.730 38.487 -0.037 0.000 1.284 192 N HN 0.671 nan 8.380 nan 0.000 0.518 193 F N 2.584 122.568 119.950 0.057 0.000 2.727 193 F HA 0.170 4.686 4.527 -0.019 0.000 0.302 193 F C 1.714 177.540 175.800 0.043 0.000 1.097 193 F CA -0.444 57.584 58.000 0.047 0.000 1.330 193 F CB 0.162 39.186 39.000 0.040 0.000 1.084 193 F HN 0.465 nan 8.300 nan 0.000 0.578 194 L N 1.062 122.407 121.223 0.203 0.000 2.051 194 L HA -0.222 4.106 4.340 -0.019 0.000 0.214 194 L C 1.488 178.430 176.870 0.119 0.000 1.076 194 L CA 2.086 57.013 54.840 0.145 0.000 0.758 194 L CB -0.442 41.699 42.059 0.137 0.000 0.890 194 L HN 0.046 nan 8.230 nan 0.000 0.433 195 K N -0.689 119.778 120.400 0.113 0.000 2.498 195 K HA 0.192 4.500 4.320 -0.019 0.000 0.207 195 K C 0.653 177.299 176.600 0.077 0.000 1.033 195 K CA 0.281 56.621 56.287 0.088 0.000 1.138 195 K CB 0.163 32.714 32.500 0.084 0.000 0.860 195 K HN 0.449 nan 8.250 nan 0.000 0.490 196 S N 0.315 116.079 115.700 0.106 0.000 2.587 196 S HA 0.018 4.477 4.470 -0.019 0.000 0.260 196 S C 1.301 175.947 174.600 0.077 0.000 1.353 196 S CA -0.363 57.903 58.200 0.110 0.000 0.995 196 S CB 1.364 64.686 63.200 0.204 0.000 0.912 196 S HN 0.249 nan 8.310 nan 0.000 0.568 197 K N 1.026 121.467 120.400 0.067 0.000 2.009 197 K HA -0.165 4.143 4.320 -0.019 0.000 0.210 197 K C 0.780 177.403 176.600 0.038 0.000 1.049 197 K CA 1.369 57.683 56.287 0.045 0.000 0.929 197 K CB -0.172 32.352 32.500 0.041 0.000 0.714 197 K HN 0.812 nan 8.250 nan 0.000 0.440 198 R N 1.188 121.717 120.500 0.048 0.000 2.396 198 R HA 0.363 4.692 4.340 -0.019 0.000 0.292 198 R C -2.773 173.552 176.300 0.041 0.000 1.240 198 R CA -1.992 54.127 56.100 0.031 0.000 1.270 198 R CB 0.893 31.208 30.300 0.025 0.000 1.108 198 R HN -0.068 nan 8.270 nan 0.000 0.573 199 P HA 0.041 nan 4.420 nan 0.000 0.264 199 P C -2.311 174.993 177.300 0.006 0.000 1.183 199 P CA -0.657 62.462 63.100 0.031 0.000 0.763 199 P CB 0.159 31.853 31.700 -0.009 0.000 0.807 200 P HA 0.041 nan 4.420 nan 0.000 0.269 200 P C 0.507 177.803 177.300 -0.006 0.000 1.209 200 P CA 0.276 63.375 63.100 -0.002 0.000 0.776 200 P CB 0.292 31.909 31.700 -0.138 0.000 0.876 201 T N -2.558 112.050 114.554 0.089 0.000 3.091 201 T HA 0.194 4.532 4.350 -0.019 0.000 0.277 201 T C 0.205 175.036 174.700 0.219 0.000 0.996 201 T CA -0.295 61.922 62.100 0.195 0.000 0.897 201 T CB -0.857 68.109 68.868 0.162 0.000 1.109 201 T HN 0.605 nan 8.240 nan 0.000 0.534 202 H N 0.489 119.556 119.070 -0.004 0.000 2.710 202 H HA 0.820 5.365 4.556 -0.019 0.000 0.361 202 H C -0.317 174.907 175.328 -0.173 0.000 1.175 202 H CA -1.496 54.502 56.048 -0.085 0.000 1.206 202 H CB 1.378 31.090 29.762 -0.084 0.000 1.750 202 H HN 0.356 nan 8.280 nan 0.000 0.553 203 I N -1.116 119.284 120.570 -0.284 0.000 3.067 203 I HA 0.673 4.832 4.170 -0.019 0.000 0.312 203 I C -0.792 175.254 176.117 -0.118 0.000 1.073 203 I CA -1.172 59.859 61.300 -0.448 0.000 1.016 203 I CB 2.645 40.191 38.000 -0.757 0.000 1.227 203 I HN 0.789 nan 8.210 nan 0.000 0.456 204 T N 0.738 115.258 114.554 -0.058 0.000 2.855 204 T HA 0.744 5.083 4.350 -0.019 0.000 0.281 204 T C -0.468 174.323 174.700 0.152 0.000 1.007 204 T CA -0.717 61.463 62.100 0.134 0.000 1.009 204 T CB 1.835 70.835 68.868 0.220 0.000 0.983 204 T HN 0.474 nan 8.240 nan 0.000 0.455 205 V N 2.457 122.491 119.914 0.200 0.000 2.588 205 V HA 0.564 4.672 4.120 -0.019 0.000 0.304 205 V C -0.513 175.679 176.094 0.164 0.000 1.042 205 V CA -0.849 61.544 62.300 0.153 0.000 0.877 205 V CB 1.918 33.791 31.823 0.083 0.000 0.996 205 V HN 0.917 nan 8.190 nan 0.000 0.425 206 V N 3.559 123.495 119.914 0.038 0.000 2.448 206 V HA 0.586 4.695 4.120 -0.019 0.000 0.295 206 V C -0.798 175.308 176.094 0.020 0.000 1.025 206 V CA -0.615 61.597 62.300 -0.147 0.000 0.859 206 V CB 1.449 32.980 31.823 -0.488 0.000 0.988 206 V HN 0.983 nan 8.190 nan 0.000 0.431 207 H N 4.410 123.434 119.070 -0.077 0.000 2.782 207 H HA 0.455 5.000 4.556 -0.019 0.000 0.347 207 H C 0.234 175.447 175.328 -0.191 0.000 1.038 207 H CA -0.566 55.378 56.048 -0.174 0.000 1.255 207 H CB 1.047 30.626 29.762 -0.306 0.000 1.623 207 H HN 0.627 nan 8.280 nan 0.000 0.525 208 N N 4.960 123.233 118.700 -0.711 0.000 2.725 208 N HA -0.255 4.474 4.740 -0.019 0.000 0.251 208 N C -0.371 174.857 175.510 -0.470 0.000 1.031 208 N CA 1.599 54.181 53.050 -0.781 0.000 0.720 208 N CB -1.543 36.439 38.487 -0.842 0.000 0.930 208 N HN 0.980 nan 8.380 nan 0.000 0.543 209 Y N -4.220 115.983 120.300 -0.162 0.000 4.916 209 Y HA -0.400 4.138 4.550 -0.019 0.000 0.247 209 Y C 0.595 176.461 175.900 -0.056 0.000 0.962 209 Y CA 0.695 58.740 58.100 -0.091 0.000 1.933 209 Y CB -1.442 37.011 38.460 -0.011 0.000 1.451 209 Y HN 0.344 nan 8.280 nan 0.000 0.539 210 Q N 0.912 120.748 119.800 0.059 0.000 2.303 210 Q HA 0.459 4.787 4.340 -0.019 0.000 0.257 210 Q C -0.658 175.373 176.000 0.051 0.000 0.941 210 Q CA -0.492 55.368 55.803 0.094 0.000 0.931 210 Q CB 0.687 29.479 28.738 0.089 0.000 1.215 210 Q HN 0.117 nan 8.270 nan 0.000 0.437 211 F N 2.170 122.144 119.950 0.039 0.000 2.375 211 F HA 0.461 4.977 4.527 -0.018 0.000 0.333 211 F C -0.220 175.457 175.800 -0.205 0.000 1.104 211 F CA -0.175 57.858 58.000 0.055 0.000 1.149 211 F CB 0.643 39.672 39.000 0.050 0.000 1.190 211 F HN 0.389 nan 8.300 nan 0.000 0.533 212 F N 0.429 120.486 119.950 0.179 0.000 2.578 212 F HA 0.280 4.796 4.527 -0.019 0.000 0.311 212 F C -0.241 175.593 175.800 0.058 0.000 1.094 212 F CA -1.159 56.885 58.000 0.074 0.000 0.923 212 F CB 1.809 40.830 39.000 0.035 0.000 1.230 212 F HN 0.361 nan 8.300 nan 0.000 0.450 213 E N 3.103 123.401 120.200 0.164 0.000 2.130 213 E HA 0.448 4.787 4.350 -0.019 0.000 0.284 213 E C -1.673 174.978 176.600 0.085 0.000 1.018 213 E CA -0.680 55.766 56.400 0.078 0.000 0.817 213 E CB 1.017 30.646 29.700 -0.118 0.000 1.078 213 E HN 0.542 nan 8.360 nan 0.000 0.396 214 L N 5.772 127.052 121.223 0.096 0.000 2.345 214 L HA 0.365 4.693 4.340 -0.019 0.000 0.274 214 L C -1.054 175.825 176.870 0.015 0.000 0.999 214 L CA -0.550 54.307 54.840 0.029 0.000 0.849 214 L CB 1.403 43.456 42.059 -0.011 0.000 1.220 214 L HN 0.466 nan 8.230 nan 0.000 0.422 215 D N 3.553 123.958 120.400 0.007 0.000 2.389 215 D HA 0.156 4.785 4.640 -0.019 0.000 0.247 215 D C 0.842 177.084 176.300 -0.097 0.000 1.128 215 D CA 0.329 54.334 54.000 0.008 0.000 0.884 215 D CB 1.976 42.780 40.800 0.007 0.000 1.194 215 D HN 0.492 nan 8.370 nan 0.000 0.441 216 V N 0.448 120.272 119.914 -0.150 0.000 3.176 216 V HA 0.318 4.427 4.120 -0.019 0.000 0.332 216 V C -0.608 175.127 176.094 -0.597 0.000 1.414 216 V CA -0.312 61.773 62.300 -0.358 0.000 1.133 216 V CB -0.870 30.702 31.823 -0.418 0.000 1.088 216 V HN 0.282 nan 8.190 nan 0.000 0.473 217 Y N -0.562 119.635 120.300 -0.171 0.000 2.512 217 Y HA 0.692 5.231 4.550 -0.019 0.000 0.348 217 Y C 0.571 176.347 175.900 -0.206 0.000 0.990 217 Y CA -1.004 57.006 58.100 -0.151 0.000 1.033 217 Y CB 1.450 39.877 38.460 -0.056 0.000 1.259 217 Y HN 0.107 nan 8.280 nan 0.000 0.461 218 H N -0.183 118.983 119.070 0.160 0.000 2.544 218 H HA 0.082 4.626 4.556 -0.019 0.000 0.365 218 H C 1.019 176.400 175.328 0.088 0.000 1.268 218 H CA 0.461 56.563 56.048 0.091 0.000 1.400 218 H CB 1.769 31.569 29.762 0.063 0.000 1.538 218 H HN 0.737 nan 8.280 nan 0.000 0.597 219 S N 0.188 116.008 115.700 0.201 0.000 2.383 219 S HA -0.187 4.272 4.470 -0.019 0.000 0.229 219 S C 1.268 175.926 174.600 0.097 0.000 1.030 219 S CA 1.828 60.096 58.200 0.113 0.000 1.002 219 S CB -0.310 62.940 63.200 0.083 0.000 0.829 219 S HN 0.718 nan 8.310 nan 0.000 0.467 220 D N -0.745 119.726 120.400 0.118 0.000 2.363 220 D HA 0.190 4.818 4.640 -0.019 0.000 0.220 220 D C 1.378 177.730 176.300 0.087 0.000 0.994 220 D CA 1.022 55.072 54.000 0.082 0.000 0.890 220 D CB -0.757 40.081 40.800 0.064 0.000 0.906 220 D HN 0.535 nan 8.370 nan 0.000 0.530 221 G N -0.272 108.601 108.800 0.122 0.000 2.213 221 G HA2 -0.250 3.698 3.960 -0.019 0.000 0.226 221 G HA3 -0.250 3.698 3.960 -0.019 0.000 0.226 221 G C 0.494 175.515 174.900 0.201 0.000 0.992 221 G CA 0.286 45.444 45.100 0.096 0.000 0.632 221 G HN 0.804 nan 8.290 nan 0.000 0.511 222 T N 1.087 115.780 114.554 0.232 0.000 2.907 222 T HA 0.599 4.938 4.350 -0.019 0.000 0.298 222 T C -1.875 173.014 174.700 0.316 0.000 1.017 222 T CA -1.017 61.235 62.100 0.254 0.000 1.118 222 T CB 2.283 71.269 68.868 0.197 0.000 0.948 222 T HN 0.271 nan 8.240 nan 0.000 0.531 223 P HA 0.215 nan 4.420 nan 0.000 0.271 223 P C -0.271 176.999 177.300 -0.050 0.000 1.218 223 P CA -0.708 62.340 63.100 -0.087 0.000 0.780 223 P CB 0.629 32.253 31.700 -0.128 0.000 0.901 224 L N 2.448 123.522 121.223 -0.249 0.000 2.467 224 L HA 0.150 4.479 4.340 -0.019 0.000 0.270 224 L C 1.582 178.437 176.870 -0.024 0.000 1.205 224 L CA 0.842 55.594 54.840 -0.148 0.000 0.828 224 L CB -0.097 41.809 42.059 -0.254 0.000 1.101 224 L HN 0.516 nan 8.230 nan 0.000 0.479 225 T N -1.629 112.965 114.554 0.066 0.000 2.816 225 T HA 0.211 4.550 4.350 -0.019 0.000 0.282 225 T C 1.321 176.046 174.700 0.042 0.000 0.993 225 T CA -0.125 62.011 62.100 0.061 0.000 0.994 225 T CB 0.836 69.750 68.868 0.077 0.000 1.025 225 T HN 0.675 nan 8.240 nan 0.000 0.529 226 S N 0.437 116.170 115.700 0.054 0.000 2.383 226 S HA -0.176 4.283 4.470 -0.019 0.000 0.229 226 S C 1.312 175.958 174.600 0.075 0.000 1.030 226 S CA 1.326 59.557 58.200 0.051 0.000 1.002 226 S CB -0.778 62.458 63.200 0.061 0.000 0.829 226 S HN 0.759 nan 8.310 nan 0.000 0.467 227 D N 1.692 122.133 120.400 0.069 0.000 2.117 227 D HA -0.052 4.576 4.640 -0.019 0.000 0.198 227 D C 2.313 178.705 176.300 0.154 0.000 0.982 227 D CA 1.272 55.333 54.000 0.102 0.000 0.828 227 D CB -0.480 40.354 40.800 0.057 0.000 0.967 227 D HN 0.600 nan 8.370 nan 0.000 0.464 228 Q N -0.070 119.790 119.800 0.099 0.000 2.079 228 Q HA -0.027 4.301 4.340 -0.019 0.000 0.200 228 Q C 2.400 178.423 176.000 0.038 0.000 0.974 228 Q CA 0.675 56.525 55.803 0.078 0.000 0.840 228 Q CB 0.022 28.816 28.738 0.093 0.000 0.898 228 Q HN 0.311 nan 8.270 nan 0.000 0.430 229 I N 0.030 120.616 120.570 0.026 0.000 2.226 229 I HA -0.266 3.893 4.170 -0.019 0.000 0.245 229 I C 2.091 178.213 176.117 0.008 0.000 1.100 229 I CA 0.940 62.232 61.300 -0.014 0.000 1.374 229 I CB -0.223 37.761 38.000 -0.028 0.000 1.057 229 I HN 0.181 nan 8.210 nan 0.000 0.413 230 F N 1.310 121.221 119.950 -0.065 0.000 2.095 230 F HA -0.232 4.284 4.527 -0.019 0.000 0.298 230 F C 2.354 178.110 175.800 -0.072 0.000 1.104 230 F CA 1.687 59.642 58.000 -0.074 0.000 1.232 230 F CB -0.576 38.384 39.000 -0.066 0.000 0.987 230 F HN -0.215 nan 8.300 nan 0.000 0.475 231 V N 0.747 120.572 119.914 -0.149 0.000 2.287 231 V HA -0.341 3.767 4.120 -0.019 0.000 0.248 231 V C 2.534 178.480 176.094 -0.248 0.000 1.053 231 V CA 2.188 64.353 62.300 -0.226 0.000 1.027 231 V CB -0.814 30.987 31.823 -0.036 0.000 0.646 231 V HN 0.393 nan 8.190 nan 0.000 0.447 232 Q N -0.517 119.184 119.800 -0.164 0.000 2.124 232 Q HA -0.112 4.216 4.340 -0.019 0.000 0.202 232 Q C 2.288 178.168 176.000 -0.201 0.000 0.977 232 Q CA 1.485 57.199 55.803 -0.147 0.000 0.850 232 Q CB -0.471 28.205 28.738 -0.103 0.000 0.901 232 Q HN 0.562 nan 8.270 nan 0.000 0.429 233 L N 0.681 121.762 121.223 -0.236 0.000 2.046 233 L HA -0.202 4.127 4.340 -0.019 0.000 0.208 233 L C 2.296 179.003 176.870 -0.272 0.000 1.077 233 L CA 1.277 55.977 54.840 -0.235 0.000 0.747 233 L CB -0.486 41.448 42.059 -0.208 0.000 0.896 233 L HN 0.286 nan 8.230 nan 0.000 0.432 234 E N 0.322 120.271 120.200 -0.418 0.000 2.085 234 E HA -0.242 4.097 4.350 -0.019 0.000 0.194 234 E C 2.168 178.658 176.600 -0.182 0.000 0.994 234 E CA 1.204 57.391 56.400 -0.356 0.000 0.801 234 E CB -0.054 29.359 29.700 -0.478 0.000 0.743 234 E HN 0.489 nan 8.360 nan 0.000 0.453 235 K N 0.658 120.945 120.400 -0.190 0.000 2.026 235 K HA -0.117 4.191 4.320 -0.019 0.000 0.208 235 K C 2.244 178.730 176.600 -0.190 0.000 1.048 235 K CA 1.101 57.306 56.287 -0.135 0.000 0.929 235 K CB -0.188 32.245 32.500 -0.112 0.000 0.713 235 K HN 0.101 nan 8.250 nan 0.000 0.439 236 I N 0.365 120.744 120.570 -0.319 0.000 2.127 236 I HA -0.318 3.841 4.170 -0.019 0.000 0.241 236 I C 2.430 178.226 176.117 -0.536 0.000 1.075 236 I CA 1.220 62.098 61.300 -0.704 0.000 1.334 236 I CB -0.353 37.224 38.000 -0.705 0.000 1.040 236 I HN 0.448 nan 8.210 nan 0.000 0.405 237 W N 2.482 123.509 121.300 -0.454 0.000 2.333 237 W HA -0.240 4.409 4.660 -0.019 0.000 0.316 237 W C 2.200 178.616 176.519 -0.172 0.000 1.215 237 W CA 1.697 58.811 57.345 -0.384 0.000 1.278 237 W CB -0.584 28.623 29.460 -0.421 0.000 1.154 237 W HN 0.232 nan 8.180 nan 0.000 0.486 238 N N 0.153 118.945 118.700 0.154 0.000 2.453 238 N HA -0.097 4.632 4.740 -0.019 0.000 0.183 238 N C 1.408 176.948 175.510 0.050 0.000 1.041 238 N CA 1.281 54.407 53.050 0.127 0.000 0.900 238 N CB -0.415 38.121 38.487 0.082 0.000 0.961 238 N HN -0.012 nan 8.380 nan 0.000 0.443 239 S N -0.434 115.267 115.700 0.003 0.000 2.577 239 S HA 0.073 4.532 4.470 -0.019 0.000 0.219 239 S C 0.773 175.499 174.600 0.210 0.000 0.962 239 S CA -0.233 58.028 58.200 0.101 0.000 0.921 239 S CB 0.193 63.490 63.200 0.163 0.000 0.789 239 S HN 0.373 nan 8.310 nan 0.000 0.497 240 S N 0.004 115.761 115.700 0.094 0.000 2.828 240 S HA 0.343 4.802 4.470 -0.019 0.000 0.240 240 S C 0.687 175.232 174.600 -0.091 0.000 0.912 240 S CA -0.443 57.815 58.200 0.097 0.000 1.100 240 S CB -0.719 62.630 63.200 0.248 0.000 1.271 240 S HN 0.251 nan 8.310 nan 0.000 0.476 241 L N 0.582 121.764 121.223 -0.068 0.000 2.141 241 L HA 0.035 4.364 4.340 -0.019 0.000 0.209 241 L C 1.355 178.153 176.870 -0.120 0.000 1.094 241 L CA 1.123 55.913 54.840 -0.084 0.000 0.763 241 L CB -0.247 41.825 42.059 0.022 0.000 0.908 241 L HN 0.488 nan 8.230 nan 0.000 0.437 242 Q N -0.741 119.000 119.800 -0.099 0.000 2.214 242 Q HA 0.232 4.561 4.340 -0.019 0.000 0.251 242 Q C -0.119 175.781 176.000 -0.168 0.000 0.936 242 Q CA -0.294 55.446 55.803 -0.106 0.000 0.894 242 Q CB 1.776 30.484 28.738 -0.050 0.000 1.252 242 Q HN -0.005 nan 8.270 nan 0.000 0.448 243 S N 1.897 117.489 115.700 -0.180 0.000 2.560 243 S HA 0.185 4.643 4.470 -0.019 0.000 0.227 243 S C -0.166 174.373 174.600 -0.101 0.000 1.280 243 S CA -0.316 57.744 58.200 -0.234 0.000 1.260 243 S CB -0.177 62.815 63.200 -0.346 0.000 1.002 243 S HN 0.436 nan 8.310 nan 0.000 0.509 244 N N 2.518 121.189 118.700 -0.049 0.000 2.558 244 N HA 0.163 4.892 4.740 -0.019 0.000 0.281 244 N C -0.630 174.901 175.510 0.035 0.000 1.219 244 N CA -0.028 53.022 53.050 -0.001 0.000 0.942 244 N CB 0.461 38.947 38.487 -0.002 0.000 1.241 244 N HN 0.230 nan 8.380 nan 0.000 0.511 245 K N 0.823 121.265 120.400 0.070 0.000 2.422 245 K HA 0.284 4.592 4.320 -0.019 0.000 0.251 245 K C 0.005 176.714 176.600 0.181 0.000 0.933 245 K CA -0.622 55.736 56.287 0.118 0.000 0.798 245 K CB 2.189 34.765 32.500 0.127 0.000 1.238 245 K HN -0.015 nan 8.250 nan 0.000 0.428 246 E N 3.113 123.394 120.200 0.135 0.000 2.414 246 E HA 0.041 4.380 4.350 -0.019 0.000 0.263 246 E C -1.976 174.676 176.600 0.087 0.000 1.000 246 E CA -1.544 54.913 56.400 0.095 0.000 0.914 246 E CB 0.227 29.958 29.700 0.052 0.000 0.948 246 E HN 0.189 nan 8.360 nan 0.000 0.444 247 P HA 0.044 nan 4.420 nan 0.000 0.237 247 P C 0.834 178.057 177.300 -0.129 0.000 1.788 247 P CA 0.006 62.966 63.100 -0.234 0.000 1.061 247 P CB 0.080 31.379 31.700 -0.668 0.000 1.967 248 V N 2.439 122.328 119.914 -0.041 0.000 2.392 248 V HA -0.203 3.905 4.120 -0.019 0.000 0.249 248 V C 2.755 178.785 176.094 -0.107 0.000 1.059 248 V CA 2.640 64.850 62.300 -0.149 0.000 1.051 248 V CB -1.487 30.048 31.823 -0.480 0.000 0.658 248 V HN 0.430 nan 8.190 nan 0.000 0.455 249 G N -0.752 108.125 108.800 0.128 0.000 2.470 249 G HA2 -0.225 3.723 3.960 -0.019 0.000 0.220 249 G HA3 -0.225 3.723 3.960 -0.019 0.000 0.220 249 G C 1.561 176.350 174.900 -0.184 0.000 1.121 249 G CA 0.593 45.768 45.100 0.125 0.000 0.766 249 G HN 0.532 nan 8.290 nan 0.000 0.553 250 I N 0.297 120.762 120.570 -0.175 0.000 2.916 250 I HA -0.016 4.142 4.170 -0.019 0.000 0.267 250 I C 2.317 178.228 176.117 -0.342 0.000 1.263 250 I CA 0.286 61.474 61.300 -0.187 0.000 1.471 250 I CB 0.112 38.005 38.000 -0.178 0.000 1.089 250 I HN 0.143 nan 8.210 nan 0.000 0.468 251 L N 0.073 120.994 121.223 -0.505 0.000 2.131 251 L HA -0.191 4.137 4.340 -0.019 0.000 0.210 251 L C 2.507 178.580 176.870 -1.329 0.000 1.092 251 L CA 1.760 56.167 54.840 -0.722 0.000 0.759 251 L CB -0.989 40.674 42.059 -0.661 0.000 0.903 251 L HN 0.412 nan 8.230 nan 0.000 0.435 252 T N -4.016 109.658 114.554 -1.467 0.000 3.098 252 T HA -0.088 4.250 4.350 -0.019 0.000 0.266 252 T C 1.716 175.978 174.700 -0.730 0.000 1.145 252 T CA 0.925 62.133 62.100 -1.487 0.000 1.092 252 T CB -0.293 67.951 68.868 -1.041 0.000 0.908 252 T HN 0.420 nan 8.240 nan 0.000 0.526 253 S N -0.194 115.185 115.700 -0.536 0.000 2.575 253 S HA 0.191 4.650 4.470 -0.019 0.000 0.215 253 S C 0.787 175.189 174.600 -0.329 0.000 0.966 253 S CA -0.693 57.226 58.200 -0.470 0.000 0.911 253 S CB -0.360 62.562 63.200 -0.462 0.000 0.780 253 S HN 0.389 nan 8.310 nan 0.000 0.514 254 N N 1.784 120.304 118.700 -0.300 0.000 2.379 254 N HA 0.180 4.909 4.740 -0.019 0.000 0.260 254 N C -0.383 175.109 175.510 -0.029 0.000 1.254 254 N CA -0.314 52.665 53.050 -0.119 0.000 0.958 254 N CB 0.361 38.814 38.487 -0.058 0.000 1.208 254 N HN 0.451 nan 8.380 nan 0.000 0.532 255 H N 0.816 119.857 119.070 -0.048 0.000 2.972 255 H HA 0.031 4.576 4.556 -0.019 0.000 0.343 255 H C 1.206 176.544 175.328 0.017 0.000 1.054 255 H CA 0.257 56.273 56.048 -0.052 0.000 1.412 255 H CB 0.734 30.456 29.762 -0.067 0.000 1.385 255 H HN 0.331 nan 8.280 nan 0.000 0.600 256 R N 3.210 123.572 120.500 -0.229 0.000 2.120 256 R HA -0.133 4.195 4.340 -0.019 0.000 0.234 256 R C 1.425 177.787 176.300 0.104 0.000 1.123 256 R CA 1.086 57.173 56.100 -0.021 0.000 0.975 256 R CB -0.657 29.555 30.300 -0.148 0.000 0.866 256 R HN 0.670 nan 8.270 nan 0.000 0.446 257 N N 0.100 118.959 118.700 0.264 0.000 2.084 257 N HA -0.090 4.639 4.740 -0.019 0.000 0.190 257 N C 1.622 177.223 175.510 0.152 0.000 1.030 257 N CA 1.881 55.050 53.050 0.197 0.000 0.849 257 N CB -0.548 38.058 38.487 0.199 0.000 1.012 257 N HN 0.190 nan 8.380 nan 0.000 0.423 258 T N -0.038 114.637 114.554 0.201 0.000 2.737 258 T HA -0.146 4.192 4.350 -0.019 0.000 0.265 258 T C 1.545 176.387 174.700 0.237 0.000 1.038 258 T CA 0.833 63.028 62.100 0.157 0.000 1.144 258 T CB -0.425 68.523 68.868 0.134 0.000 0.866 258 T HN 0.471 nan 8.240 nan 0.000 0.434 259 W N 1.826 123.134 121.300 0.014 0.000 2.358 259 W HA -0.125 4.524 4.660 -0.018 0.000 0.303 259 W C 2.544 179.090 176.519 0.046 0.000 1.208 259 W CA 0.634 57.977 57.345 -0.003 0.000 1.274 259 W CB -0.183 29.239 29.460 -0.063 0.000 1.138 259 W HN 0.300 nan 8.180 nan 0.000 0.515 260 A N 0.946 123.731 122.820 -0.059 0.000 1.917 260 A HA -0.305 4.003 4.320 -0.019 0.000 0.219 260 A C 1.970 179.509 177.584 -0.075 0.000 1.182 260 A CA 2.271 54.196 52.037 -0.187 0.000 0.633 260 A CB -1.022 17.926 19.000 -0.087 0.000 0.819 260 A HN 0.413 nan 8.150 nan 0.000 0.448 261 K N -0.665 119.740 120.400 0.007 0.000 2.062 261 K HA 0.032 4.340 4.320 -0.019 0.000 0.205 261 K C 2.137 178.759 176.600 0.038 0.000 1.051 261 K CA 1.040 57.341 56.287 0.022 0.000 0.941 261 K CB -0.295 32.226 32.500 0.035 0.000 0.719 261 K HN 0.353 nan 8.250 nan 0.000 0.440 262 A N 0.253 123.138 122.820 0.109 0.000 1.969 262 A HA -0.170 4.138 4.320 -0.019 0.000 0.218 262 A C 1.986 179.638 177.584 0.112 0.000 1.169 262 A CA 1.150 53.290 52.037 0.172 0.000 0.635 262 A CB -0.723 18.480 19.000 0.340 0.000 0.810 262 A HN 0.581 nan 8.150 nan 0.000 0.445 263 Y N 1.304 121.420 120.300 -0.307 0.000 2.133 263 Y HA -0.210 4.328 4.550 -0.019 0.000 0.287 263 Y C 2.340 178.100 175.900 -0.234 0.000 1.134 263 Y CA 1.972 59.715 58.100 -0.595 0.000 1.133 263 Y CB -0.374 37.353 38.460 -1.223 0.000 0.987 263 Y HN 0.437 nan 8.280 nan 0.000 0.502 264 N N 0.656 119.263 118.700 -0.154 0.000 2.104 264 N HA -0.277 4.452 4.740 -0.019 0.000 0.190 264 N C 1.590 177.011 175.510 -0.148 0.000 1.024 264 N CA 1.846 54.803 53.050 -0.155 0.000 0.853 264 N CB -0.550 37.918 38.487 -0.033 0.000 1.008 264 N HN 0.528 nan 8.380 nan 0.000 0.424 265 N N 0.306 118.957 118.700 -0.082 0.000 2.216 265 N HA -0.097 4.631 4.740 -0.019 0.000 0.183 265 N C 1.840 177.323 175.510 -0.046 0.000 1.017 265 N CA 0.486 53.510 53.050 -0.044 0.000 0.861 265 N CB -0.299 38.187 38.487 -0.002 0.000 0.986 265 N HN 0.194 nan 8.380 nan 0.000 0.428 266 L N 1.095 122.284 121.223 -0.056 0.000 2.046 266 L HA 0.018 4.346 4.340 -0.019 0.000 0.208 266 L C 1.626 178.469 176.870 -0.044 0.000 1.077 266 L CA 1.448 56.281 54.840 -0.011 0.000 0.747 266 L CB -0.589 41.504 42.059 0.056 0.000 0.896 266 L HN 0.448 nan 8.230 nan 0.000 0.432 267 I N -4.228 116.227 120.570 -0.192 0.000 3.680 267 I HA -0.008 4.151 4.170 -0.019 0.000 0.306 267 I C 1.860 177.914 176.117 -0.106 0.000 1.260 267 I CA 0.370 61.565 61.300 -0.175 0.000 1.201 267 I CB -0.595 37.193 38.000 -0.355 0.000 1.009 267 I HN 0.133 nan 8.210 nan 0.000 0.467 268 K N 1.316 121.672 120.400 -0.074 0.000 2.103 268 K HA -0.090 4.219 4.320 -0.019 0.000 0.204 268 K C 0.540 177.124 176.600 -0.026 0.000 1.052 268 K CA 0.908 57.168 56.287 -0.046 0.000 0.945 268 K CB -0.091 32.390 32.500 -0.032 0.000 0.722 268 K HN 0.450 nan 8.250 nan 0.000 0.443 269 D N 0.503 120.897 120.400 -0.011 0.000 2.350 269 D HA -0.036 4.593 4.640 -0.019 0.000 0.249 269 D C 0.978 177.271 176.300 -0.012 0.000 1.119 269 D CA -0.031 53.968 54.000 -0.001 0.000 0.886 269 D CB 1.163 41.978 40.800 0.024 0.000 1.195 269 D HN 0.040 nan 8.370 nan 0.000 0.437 270 K N 2.308 122.697 120.400 -0.020 0.000 2.057 270 K HA -0.149 4.160 4.320 -0.019 0.000 0.207 270 K C 1.361 177.933 176.600 -0.048 0.000 1.049 270 K CA 1.212 57.480 56.287 -0.032 0.000 0.931 270 K CB -0.304 32.178 32.500 -0.031 0.000 0.714 270 K HN 0.322 nan 8.250 nan 0.000 0.440 271 V N 2.344 122.228 119.914 -0.050 0.000 2.287 271 V HA -0.268 3.840 4.120 -0.019 0.000 0.248 271 V C 1.923 177.945 176.094 -0.121 0.000 1.053 271 V CA 2.163 64.409 62.300 -0.090 0.000 1.027 271 V CB -0.837 30.938 31.823 -0.081 0.000 0.646 271 V HN 0.455 nan 8.190 nan 0.000 0.447 272 N N 0.105 118.787 118.700 -0.030 0.000 2.149 272 N HA -0.188 4.541 4.740 -0.019 0.000 0.188 272 N C 1.937 177.470 175.510 0.038 0.000 1.019 272 N CA 1.533 54.632 53.050 0.082 0.000 0.857 272 N CB -0.490 38.138 38.487 0.235 0.000 0.997 272 N HN 0.471 nan 8.380 nan 0.000 0.426 273 R N 1.037 121.529 120.500 -0.013 0.000 2.092 273 R HA -0.056 4.273 4.340 -0.019 0.000 0.231 273 R C 1.950 178.214 176.300 -0.060 0.000 1.119 273 R CA 1.266 57.346 56.100 -0.032 0.000 0.970 273 R CB -0.023 30.252 30.300 -0.041 0.000 0.864 273 R HN 0.317 nan 8.270 nan 0.000 0.440 274 E N -0.452 119.689 120.200 -0.100 0.000 2.107 274 E HA -0.106 4.233 4.350 -0.019 0.000 0.191 274 E C 1.607 178.087 176.600 -0.200 0.000 0.982 274 E CA 1.295 57.615 56.400 -0.133 0.000 0.809 274 E CB 0.106 29.724 29.700 -0.137 0.000 0.756 274 E HN 0.261 nan 8.360 nan 0.000 0.459 275 S N -0.057 115.470 115.700 -0.287 0.000 2.368 275 S HA -0.124 4.334 4.470 -0.019 0.000 0.225 275 S C 1.985 176.377 174.600 -0.347 0.000 1.030 275 S CA 1.071 59.004 58.200 -0.445 0.000 0.999 275 S CB -0.079 62.555 63.200 -0.944 0.000 0.844 275 S HN 0.148 nan 8.310 nan 0.000 0.459 276 V N 2.942 122.754 119.914 -0.171 0.000 2.358 276 V HA -0.174 3.934 4.120 -0.019 0.000 0.246 276 V C 2.327 178.339 176.094 -0.137 0.000 1.047 276 V CA 1.590 63.810 62.300 -0.133 0.000 1.035 276 V CB -0.756 31.150 31.823 0.138 0.000 0.658 276 V HN 0.585 nan 8.190 nan 0.000 0.452 277 N N -0.188 118.460 118.700 -0.087 0.000 2.104 277 N HA -0.215 4.513 4.740 -0.019 0.000 0.190 277 N C 2.167 177.587 175.510 -0.151 0.000 1.024 277 N CA 1.778 54.785 53.050 -0.072 0.000 0.853 277 N CB -0.003 38.447 38.487 -0.061 0.000 1.008 277 N HN 0.444 nan 8.380 nan 0.000 0.424 278 S N 0.669 116.259 115.700 -0.183 0.000 2.356 278 S HA -0.058 4.400 4.470 -0.019 0.000 0.223 278 S C 2.140 176.701 174.600 -0.065 0.000 1.032 278 S CA 0.793 58.901 58.200 -0.154 0.000 1.005 278 S CB -0.272 62.788 63.200 -0.233 0.000 0.867 278 S HN 0.334 nan 8.310 nan 0.000 0.449 279 I N 1.352 121.776 120.570 -0.243 0.000 2.127 279 I HA -0.244 3.915 4.170 -0.019 0.000 0.241 279 I C 2.800 178.783 176.117 -0.222 0.000 1.075 279 I CA 1.590 62.685 61.300 -0.341 0.000 1.334 279 I CB -0.533 36.933 38.000 -0.890 0.000 1.040 279 I HN 0.435 nan 8.210 nan 0.000 0.405 280 Q N 0.628 120.327 119.800 -0.168 0.000 2.170 280 Q HA -0.221 4.108 4.340 -0.019 0.000 0.203 280 Q C 2.083 178.057 176.000 -0.042 0.000 0.976 280 Q CA 1.335 57.154 55.803 0.026 0.000 0.858 280 Q CB -0.120 28.726 28.738 0.180 0.000 0.907 280 Q HN 0.514 nan 8.270 nan 0.000 0.433 281 K N 0.864 121.068 120.400 -0.326 0.000 2.243 281 K HA 0.013 4.321 4.320 -0.019 0.000 0.201 281 K C 0.882 177.259 176.600 -0.371 0.000 1.051 281 K CA 0.317 56.222 56.287 -0.636 0.000 0.970 281 K CB 0.167 32.253 32.500 -0.690 0.000 0.755 281 K HN 0.127 nan 8.250 nan 0.000 0.465 282 S N 0.886 116.381 115.700 -0.342 0.000 2.561 282 S HA -0.056 4.402 4.470 -0.019 0.000 0.294 282 S C 1.263 175.682 174.600 -0.303 0.000 1.294 282 S CA -0.205 57.653 58.200 -0.571 0.000 1.055 282 S CB 0.235 63.256 63.200 -0.298 0.000 0.819 282 S HN 0.128 nan 8.310 nan 0.000 0.503 283 I N 1.345 121.701 120.570 -0.358 0.000 2.264 283 I HA -0.019 4.139 4.170 -0.019 0.000 0.248 283 I C 0.694 176.890 176.117 0.132 0.000 1.111 283 I CA 1.320 62.561 61.300 -0.097 0.000 1.382 283 I CB -0.492 37.445 38.000 -0.105 0.000 1.060 283 I HN 0.819 nan 8.210 nan 0.000 0.418 284 F N -3.001 116.971 119.950 0.038 0.000 2.900 284 F HA 0.512 5.028 4.527 -0.019 0.000 0.321 284 F C -0.971 174.914 175.800 0.141 0.000 1.160 284 F CA -1.257 56.823 58.000 0.135 0.000 0.890 284 F CB 0.678 39.834 39.000 0.261 0.000 1.334 284 F HN -0.513 nan 8.300 nan 0.000 0.459 285 T N 1.508 116.359 114.554 0.496 0.000 2.888 285 T HA 0.705 5.043 4.350 -0.019 0.000 0.284 285 T C -1.262 173.733 174.700 0.491 0.000 1.017 285 T CA -0.678 61.641 62.100 0.365 0.000 1.022 285 T CB 1.960 71.017 68.868 0.315 0.000 1.013 285 T HN 0.604 nan 8.240 nan 0.000 0.465 286 V N 2.238 122.359 119.914 0.344 0.000 2.444 286 V HA 0.343 4.452 4.120 -0.019 0.000 0.294 286 V C -0.380 175.838 176.094 0.207 0.000 1.022 286 V CA -0.827 61.663 62.300 0.316 0.000 0.850 286 V CB 1.324 33.299 31.823 0.254 0.000 0.992 286 V HN 1.070 nan 8.190 nan 0.000 0.426 287 C N 6.393 125.813 119.300 0.199 0.000 2.273 287 C HA 0.560 5.008 4.460 -0.019 0.000 0.328 287 C C 0.313 175.413 174.990 0.183 0.000 1.275 287 C CA -0.907 58.200 59.018 0.149 0.000 1.704 287 C CB -0.006 27.808 27.740 0.122 0.000 2.326 287 C HN 0.709 nan 8.230 nan 0.000 0.517 288 L N 3.872 125.208 121.223 0.188 0.000 2.314 288 L HA 0.265 4.594 4.340 -0.019 0.000 0.275 288 L C -0.241 176.800 176.870 0.284 0.000 1.068 288 L CA 0.007 55.003 54.840 0.260 0.000 0.894 288 L CB -0.166 42.058 42.059 0.276 0.000 1.275 288 L HN 0.631 nan 8.230 nan 0.000 0.432 289 D N 2.780 123.336 120.400 0.260 0.000 2.382 289 D HA 0.128 4.757 4.640 -0.019 0.000 0.240 289 D C 0.326 176.781 176.300 0.258 0.000 1.146 289 D CA 0.003 54.142 54.000 0.232 0.000 0.897 289 D CB 0.995 41.928 40.800 0.221 0.000 1.197 289 D HN 0.401 nan 8.370 nan 0.000 0.432 290 K N 0.486 121.002 120.400 0.193 0.000 2.109 290 K HA 0.251 4.559 4.320 -0.019 0.000 0.243 290 K C 0.121 176.851 176.600 0.215 0.000 1.006 290 K CA -0.884 55.516 56.287 0.187 0.000 0.917 290 K CB 0.862 33.397 32.500 0.058 0.000 1.081 290 K HN 0.316 nan 8.250 nan 0.000 0.468 291 Q N 1.167 121.092 119.800 0.208 0.000 2.330 291 Q HA 0.099 4.428 4.340 -0.019 0.000 0.279 291 Q C -0.568 175.559 176.000 0.212 0.000 1.024 291 Q CA -0.555 55.367 55.803 0.199 0.000 0.900 291 Q CB 0.676 29.517 28.738 0.172 0.000 1.221 291 Q HN 0.514 nan 8.270 nan 0.000 0.396 292 V N 1.523 121.568 119.914 0.219 0.000 2.815 292 V HA 0.667 4.775 4.120 -0.019 0.000 0.314 292 V C -2.358 173.862 176.094 0.209 0.000 1.064 292 V CA -2.302 60.159 62.300 0.267 0.000 0.952 292 V CB 0.838 32.794 31.823 0.222 0.000 1.020 292 V HN 0.803 nan 8.190 nan 0.000 0.439 293 P HA 0.205 nan 4.420 nan 0.000 0.266 293 P C -0.455 176.906 177.300 0.102 0.000 1.193 293 P CA -0.078 63.123 63.100 0.169 0.000 0.770 293 P CB 0.235 32.063 31.700 0.214 0.000 0.836 294 R N 2.494 123.036 120.500 0.070 0.000 2.491 294 R HA 0.362 4.690 4.340 -0.019 0.000 0.283 294 R C -0.727 175.569 176.300 -0.007 0.000 1.072 294 R CA -0.045 56.075 56.100 0.032 0.000 1.048 294 R CB -0.185 30.125 30.300 0.018 0.000 0.983 294 R HN 0.350 nan 8.270 nan 0.000 0.450 295 V N 0.915 120.802 119.914 -0.044 0.000 3.102 295 V HA 0.636 4.744 4.120 -0.019 0.000 0.312 295 V C -0.477 175.566 176.094 -0.084 0.000 1.135 295 V CA -0.826 61.401 62.300 -0.123 0.000 1.022 295 V CB 1.819 33.410 31.823 -0.386 0.000 1.056 295 V HN 0.928 nan 8.190 nan 0.000 0.436 296 S N 0.599 116.251 115.700 -0.080 0.000 2.558 296 S HA 0.070 4.528 4.470 -0.019 0.000 0.288 296 S C 0.595 175.182 174.600 -0.022 0.000 1.318 296 S CA 0.155 58.330 58.200 -0.043 0.000 1.056 296 S CB 0.334 63.522 63.200 -0.020 0.000 0.853 296 S HN 0.827 nan 8.310 nan 0.000 0.505 297 D N 2.194 122.577 120.400 -0.029 0.000 2.133 297 D HA -0.187 4.441 4.640 -0.019 0.000 0.195 297 D C 1.704 178.034 176.300 0.049 0.000 0.997 297 D CA 1.721 55.711 54.000 -0.017 0.000 0.840 297 D CB -0.460 40.304 40.800 -0.060 0.000 0.947 297 D HN 0.887 nan 8.370 nan 0.000 0.452 298 D N 1.204 121.624 120.400 0.034 0.000 2.221 298 D HA -0.135 4.494 4.640 -0.019 0.000 0.204 298 D C 1.859 178.206 176.300 0.078 0.000 0.982 298 D CA 1.093 55.125 54.000 0.052 0.000 0.857 298 D CB -0.258 40.569 40.800 0.044 0.000 0.934 298 D HN 0.336 nan 8.370 nan 0.000 0.475 299 V N -3.345 116.618 119.914 0.080 0.000 3.483 299 V HA 0.158 4.267 4.120 -0.019 0.000 0.301 299 V C 1.950 178.130 176.094 0.143 0.000 1.389 299 V CA -0.633 61.740 62.300 0.122 0.000 1.101 299 V CB -0.919 30.996 31.823 0.153 0.000 0.971 299 V HN -0.075 nan 8.190 nan 0.000 0.434 300 Y N 2.635 122.916 120.300 -0.032 0.000 2.014 300 Y HA -0.196 4.347 4.550 -0.013 0.000 0.270 300 Y C 2.732 178.643 175.900 0.018 0.000 1.145 300 Y CA 2.507 60.580 58.100 -0.044 0.000 1.106 300 Y CB -0.274 38.155 38.460 -0.051 0.000 0.968 300 Y HN 0.143 nan 8.280 nan 0.000 0.484 301 R N 0.053 120.497 120.500 -0.092 0.000 2.170 301 R HA -0.198 4.130 4.340 -0.019 0.000 0.242 301 R C 1.820 178.008 176.300 -0.186 0.000 1.145 301 R CA 1.329 57.313 56.100 -0.194 0.000 0.984 301 R CB -0.353 29.922 30.300 -0.041 0.000 0.869 301 R HN 0.463 nan 8.270 nan 0.000 0.455 302 N N -0.210 118.442 118.700 -0.079 0.000 2.188 302 N HA -0.118 4.611 4.740 -0.019 0.000 0.184 302 N C 1.445 176.862 175.510 -0.154 0.000 1.018 302 N CA 1.277 54.261 53.050 -0.110 0.000 0.858 302 N CB -0.275 38.200 38.487 -0.020 0.000 0.989 302 N HN 0.352 nan 8.380 nan 0.000 0.426 303 H N -0.132 118.809 119.070 -0.214 0.000 2.395 303 H HA 0.111 4.657 4.556 -0.017 0.000 0.299 303 H C 2.037 177.202 175.328 -0.272 0.000 1.070 303 H CA 0.619 56.540 56.048 -0.213 0.000 1.356 303 H CB -0.187 29.474 29.762 -0.168 0.000 1.401 303 H HN -0.074 nan 8.280 nan 0.000 0.524 304 V N 0.589 120.355 119.914 -0.248 0.000 2.407 304 V HA -0.238 3.871 4.120 -0.019 0.000 0.248 304 V C 2.535 178.510 176.094 -0.198 0.000 1.055 304 V CA 1.555 63.701 62.300 -0.258 0.000 1.049 304 V CB -0.987 30.605 31.823 -0.385 0.000 0.662 304 V HN 0.557 nan 8.190 nan 0.000 0.455 305 A N 0.598 123.234 122.820 -0.307 0.000 1.933 305 A HA -0.093 4.216 4.320 -0.019 0.000 0.218 305 A C 2.417 179.780 177.584 -0.369 0.000 1.175 305 A CA 1.934 53.661 52.037 -0.518 0.000 0.628 305 A CB -1.145 17.280 19.000 -0.958 0.000 0.814 305 A HN 0.520 nan 8.150 nan 0.000 0.444 306 G N -0.911 107.661 108.800 -0.381 0.000 2.418 306 G HA2 -0.272 3.677 3.960 -0.019 0.000 0.217 306 G HA3 -0.272 3.677 3.960 -0.019 0.000 0.217 306 G C 1.615 176.111 174.900 -0.674 0.000 1.158 306 G CA 1.068 45.808 45.100 -0.599 0.000 0.771 306 G HN 0.637 nan 8.290 nan 0.000 0.545 307 Q N -0.961 118.664 119.800 -0.292 0.000 2.096 307 Q HA -0.143 4.186 4.340 -0.019 0.000 0.204 307 Q C 2.435 178.416 176.000 -0.030 0.000 0.982 307 Q CA 1.483 57.215 55.803 -0.119 0.000 0.850 307 Q CB -0.151 28.568 28.738 -0.033 0.000 0.901 307 Q HN 0.377 nan 8.270 nan 0.000 0.422 308 M N -0.299 119.312 119.600 0.018 0.000 2.288 308 M HA -0.036 4.433 4.480 -0.019 0.000 0.266 308 M C 1.757 178.143 176.300 0.144 0.000 1.072 308 M CA 0.835 56.212 55.300 0.129 0.000 1.132 308 M CB -0.312 32.440 32.600 0.252 0.000 1.386 308 M HN 0.317 nan 8.290 nan 0.000 0.432 309 L N -0.449 120.854 121.223 0.134 0.000 2.068 309 L HA -0.092 4.237 4.340 -0.019 0.000 0.204 309 L C 2.221 179.154 176.870 0.105 0.000 1.076 309 L CA 1.708 56.633 54.840 0.141 0.000 0.753 309 L CB -0.412 41.786 42.059 0.232 0.000 0.910 309 L HN 0.602 nan 8.230 nan 0.000 0.439 310 H N -4.070 115.072 119.070 0.121 0.000 3.360 310 H HA 0.405 4.949 4.556 -0.019 0.000 0.262 310 H C 1.298 176.737 175.328 0.185 0.000 1.149 310 H CA 0.580 56.653 56.048 0.040 0.000 1.181 310 H CB 0.662 30.364 29.762 -0.100 0.000 1.564 310 H HN 0.275 nan 8.280 nan 0.000 0.565 311 G N 0.743 109.661 108.800 0.195 0.000 2.213 311 G HA2 -0.250 3.699 3.960 -0.019 0.000 0.236 311 G HA3 -0.250 3.699 3.960 -0.019 0.000 0.236 311 G C 1.323 176.380 174.900 0.262 0.000 0.991 311 G CA 0.716 45.973 45.100 0.261 0.000 0.629 311 G HN 1.341 nan 8.290 nan 0.000 0.517 312 G N -1.136 107.899 108.800 0.391 0.000 2.241 312 G HA2 0.452 4.400 3.960 -0.019 0.000 0.244 312 G HA3 0.452 4.400 3.960 -0.019 0.000 0.244 312 G C 1.456 176.531 174.900 0.292 0.000 0.998 312 G CA 0.883 46.119 45.100 0.226 0.000 0.621 312 G HN 2.957 nan 8.290 nan 0.000 0.519 313 G N -1.681 107.345 108.800 0.376 0.000 2.340 313 G HA2 0.473 4.421 3.960 -0.019 0.000 0.527 313 G HA3 0.473 4.421 3.960 -0.019 0.000 0.527 313 G C 0.807 175.875 174.900 0.280 0.000 1.381 313 G CA 0.947 46.250 45.100 0.338 0.000 1.001 313 G HN 1.782 nan 8.290 nan 0.000 0.626 314 S N -0.649 115.125 115.700 0.123 0.000 2.419 314 S HA -0.144 4.315 4.470 -0.019 0.000 0.235 314 S C 1.687 176.299 174.600 0.021 0.000 1.019 314 S CA 1.974 60.187 58.200 0.021 0.000 0.982 314 S CB -0.274 62.911 63.200 -0.024 0.000 0.789 314 S HN 1.238 nan 8.310 nan 0.000 0.490 315 K N -0.703 119.656 120.400 -0.069 0.000 2.437 315 K HA 0.355 4.663 4.320 -0.019 0.000 0.205 315 K C 0.097 176.396 176.600 -0.502 0.000 1.026 315 K CA -0.274 55.852 56.287 -0.268 0.000 1.153 315 K CB -0.088 32.162 32.500 -0.416 0.000 0.863 315 K HN 0.427 nan 8.250 nan 0.000 0.502 316 F N 0.582 120.639 119.950 0.178 0.000 2.053 316 F HA 0.291 4.806 4.527 -0.019 0.000 0.213 316 F C 1.311 177.251 175.800 0.233 0.000 1.216 316 F CA -0.787 57.317 58.000 0.174 0.000 1.287 316 F CB 0.219 39.309 39.000 0.150 0.000 1.781 316 F HN -0.096 nan 8.300 nan 0.000 0.297 317 N N -0.785 118.191 118.700 0.460 0.000 2.160 317 N HA 0.111 4.840 4.740 -0.019 0.000 0.226 317 N C 0.881 176.565 175.510 0.289 0.000 1.256 317 N CA 0.257 53.522 53.050 0.357 0.000 0.890 317 N CB 0.859 39.511 38.487 0.275 0.000 1.116 317 N HN 0.052 nan 8.380 nan 0.000 0.517 318 S N 0.168 116.031 115.700 0.272 0.000 2.419 318 S HA -0.052 4.407 4.470 -0.019 0.000 0.233 318 S C 1.899 176.572 174.600 0.121 0.000 1.016 318 S CA 1.194 59.544 58.200 0.248 0.000 0.974 318 S CB -0.069 63.253 63.200 0.203 0.000 0.786 318 S HN 0.504 nan 8.310 nan 0.000 0.492 319 G N 0.837 109.571 108.800 -0.110 0.000 2.712 319 G HA2 -0.051 3.897 3.960 -0.019 0.000 0.212 319 G HA3 -0.051 3.897 3.960 -0.019 0.000 0.212 319 G C 0.765 175.603 174.900 -0.102 0.000 1.142 319 G CA -0.129 44.730 45.100 -0.401 0.000 0.789 319 G HN 0.419 nan 8.290 nan 0.000 0.535 320 N N 0.727 119.519 118.700 0.153 0.000 2.802 320 N HA 0.162 4.891 4.740 -0.019 0.000 0.288 320 N C 0.023 175.543 175.510 0.017 0.000 1.268 320 N CA -0.109 53.037 53.050 0.161 0.000 1.035 320 N CB -0.065 38.555 38.487 0.221 0.000 1.353 320 N HN 0.082 nan 8.380 nan 0.000 0.522 321 R N -0.458 120.049 120.500 0.013 0.000 2.752 321 R HA 0.337 4.665 4.340 -0.019 0.000 0.271 321 R C -1.531 174.871 176.300 0.169 0.000 1.026 321 R CA -0.653 55.377 56.100 -0.117 0.000 0.901 321 R CB 1.190 31.077 30.300 -0.688 0.000 1.243 321 R HN 0.226 nan 8.270 nan 0.000 0.463 322 W N 2.705 123.921 121.300 -0.139 0.000 2.409 322 W HA 0.250 4.898 4.660 -0.019 0.000 0.285 322 W C -0.894 175.566 176.519 -0.098 0.000 1.030 322 W CA -0.693 56.669 57.345 0.028 0.000 1.330 322 W CB 0.345 29.922 29.460 0.195 0.000 1.236 322 W HN 0.632 nan 8.180 nan 0.000 0.341 323 F N 1.477 121.356 119.950 -0.117 0.000 2.583 323 F HA -0.136 4.379 4.527 -0.020 0.000 0.297 323 F C 1.862 177.655 175.800 -0.010 0.000 1.131 323 F CA 1.076 59.037 58.000 -0.065 0.000 1.467 323 F CB -0.091 38.821 39.000 -0.147 0.000 1.097 323 F HN 0.028 nan 8.300 nan 0.000 0.586 324 D N -0.020 120.454 120.400 0.123 0.000 2.277 324 D HA -0.064 4.565 4.640 -0.019 0.000 0.208 324 D C 1.088 177.596 176.300 0.347 0.000 0.962 324 D CA 0.619 54.774 54.000 0.259 0.000 0.865 324 D CB -0.078 40.943 40.800 0.369 0.000 0.939 324 D HN 0.037 nan 8.370 nan 0.000 0.510 325 K N 1.013 121.685 120.400 0.453 0.000 2.451 325 K HA 0.020 4.328 4.320 -0.019 0.000 0.280 325 K C 1.062 177.800 176.600 0.231 0.000 1.020 325 K CA 0.276 56.773 56.287 0.350 0.000 1.008 325 K CB 0.643 33.356 32.500 0.354 0.000 0.917 325 K HN -0.226 nan 8.250 nan 0.000 0.478 326 T N 3.458 118.132 114.554 0.201 0.000 2.708 326 T HA -0.065 4.274 4.350 -0.019 0.000 0.266 326 T C 0.331 175.108 174.700 0.128 0.000 1.037 326 T CA 1.117 63.312 62.100 0.158 0.000 1.146 326 T CB -0.067 68.884 68.868 0.137 0.000 0.865 326 T HN 0.393 nan 8.240 nan 0.000 0.435 327 L N 1.511 122.807 121.223 0.123 0.000 2.343 327 L HA 0.462 4.791 4.340 -0.019 0.000 0.278 327 L C -0.589 176.301 176.870 0.034 0.000 0.996 327 L CA -0.515 54.325 54.840 0.001 0.000 0.831 327 L CB 1.909 43.983 42.059 0.025 0.000 1.232 327 L HN 0.051 nan 8.230 nan 0.000 0.413 328 Q N 3.443 123.166 119.800 -0.129 0.000 2.327 328 Q HA 0.498 4.827 4.340 -0.019 0.000 0.270 328 Q C -1.475 174.414 176.000 -0.186 0.000 1.022 328 Q CA -0.540 55.254 55.803 -0.015 0.000 0.773 328 Q CB 2.550 31.289 28.738 0.001 0.000 1.251 328 Q HN 0.373 nan 8.270 nan 0.000 0.457 329 F N 2.804 122.808 119.950 0.091 0.000 2.420 329 F HA 0.490 5.005 4.527 -0.020 0.000 0.342 329 F C 0.184 176.047 175.800 0.104 0.000 1.113 329 F CA -0.595 57.440 58.000 0.059 0.000 1.059 329 F CB 0.921 39.914 39.000 -0.012 0.000 1.128 329 F HN 0.306 nan 8.300 nan 0.000 0.475 330 I N 3.770 124.495 120.570 0.259 0.000 2.404 330 I HA 0.443 4.601 4.170 -0.019 0.000 0.293 330 I C -0.990 175.302 176.117 0.292 0.000 0.992 330 I CA -0.902 60.538 61.300 0.233 0.000 1.149 330 I CB 1.804 39.907 38.000 0.171 0.000 1.315 330 I HN 0.179 nan 8.210 nan 0.000 0.446 331 V N 6.020 126.115 119.914 0.302 0.000 2.340 331 V HA 0.487 4.596 4.120 -0.019 0.000 0.277 331 V C 0.545 176.859 176.094 0.367 0.000 1.017 331 V CA -0.571 61.960 62.300 0.385 0.000 0.820 331 V CB 1.152 33.198 31.823 0.373 0.000 1.028 331 V HN 0.868 nan 8.190 nan 0.000 0.436 332 A N 2.967 126.004 122.820 0.361 0.000 2.327 332 A HA 0.371 4.680 4.320 -0.019 0.000 0.255 332 A C 1.325 179.158 177.584 0.415 0.000 1.099 332 A CA 0.009 52.241 52.037 0.325 0.000 0.801 332 A CB 0.381 19.524 19.000 0.239 0.000 1.062 332 A HN 0.805 nan 8.150 nan 0.000 0.496 333 E N -0.017 120.395 120.200 0.352 0.000 2.152 333 E HA -0.180 4.158 4.350 -0.019 0.000 0.192 333 E C 0.489 177.297 176.600 0.348 0.000 0.983 333 E CA 1.457 58.081 56.400 0.373 0.000 0.818 333 E CB -0.055 29.829 29.700 0.306 0.000 0.758 333 E HN 0.783 nan 8.360 nan 0.000 0.467 334 D N -1.268 119.268 120.400 0.228 0.000 2.328 334 D HA 0.059 4.688 4.640 -0.019 0.000 0.226 334 D C 1.218 177.465 176.300 -0.088 0.000 1.066 334 D CA 0.825 54.886 54.000 0.103 0.000 0.861 334 D CB 0.229 41.105 40.800 0.126 0.000 0.912 334 D HN 0.304 nan 8.370 nan 0.000 0.521 335 G N -0.568 108.094 108.800 -0.229 0.000 2.213 335 G HA2 -0.243 3.705 3.960 -0.019 0.000 0.226 335 G HA3 -0.243 3.705 3.960 -0.019 0.000 0.226 335 G C 0.365 175.066 174.900 -0.332 0.000 0.992 335 G CA 0.092 44.682 45.100 -0.850 0.000 0.632 335 G HN 0.399 nan 8.290 nan 0.000 0.511 336 S N 0.466 116.149 115.700 -0.029 0.000 2.576 336 S HA 0.583 5.041 4.470 -0.019 0.000 0.276 336 S C 0.568 175.254 174.600 0.144 0.000 1.339 336 S CA 0.419 58.650 58.200 0.052 0.000 1.039 336 S CB 1.277 64.521 63.200 0.074 0.000 0.902 336 S HN 1.653 nan 8.310 nan 0.000 0.516 337 C N 0.284 119.673 119.300 0.148 0.000 3.239 337 C HA 1.042 5.491 4.460 -0.019 0.000 0.317 337 C C 0.251 175.366 174.990 0.209 0.000 1.310 337 C CA -0.068 59.100 59.018 0.250 0.000 1.371 337 C CB 0.887 28.862 27.740 0.392 0.000 1.714 337 C HN 1.024 nan 8.230 nan 0.000 0.473 338 G N 1.036 109.970 108.800 0.223 0.000 2.450 338 G HA2 0.831 4.779 3.960 -0.019 0.000 0.273 338 G HA3 0.831 4.779 3.960 -0.019 0.000 0.273 338 G C -1.293 173.675 174.900 0.113 0.000 1.221 338 G CA -0.096 45.102 45.100 0.163 0.000 0.900 338 G HN 2.022 nan 8.290 nan 0.000 0.483 339 M N -1.811 117.800 119.600 0.019 0.000 3.012 339 M HA 0.786 5.254 4.480 -0.019 0.000 0.272 339 M C -2.164 174.083 176.300 -0.088 0.000 1.187 339 M CA -0.992 54.252 55.300 -0.094 0.000 0.813 339 M CB 1.871 34.274 32.600 -0.327 0.000 1.626 339 M HN 1.469 nan 8.290 nan 0.000 0.507 340 V N 2.229 122.087 119.914 -0.092 0.000 2.777 340 V HA 0.776 4.885 4.120 -0.019 0.000 0.306 340 V C -2.148 173.937 176.094 -0.015 0.000 1.112 340 V CA -0.216 62.052 62.300 -0.053 0.000 0.917 340 V CB 2.263 34.114 31.823 0.047 0.000 1.018 340 V HN 0.986 nan 8.190 nan 0.000 0.426 341 Y N 3.255 123.475 120.300 -0.132 0.000 2.485 341 Y HA 0.778 5.316 4.550 -0.019 0.000 0.345 341 Y C -0.274 175.587 175.900 -0.065 0.000 0.998 341 Y CA -1.093 56.932 58.100 -0.125 0.000 1.059 341 Y CB 1.556 39.895 38.460 -0.202 0.000 1.234 341 Y HN 0.595 nan 8.280 nan 0.000 0.461 342 E N 2.732 122.994 120.200 0.104 0.000 2.217 342 E HA -0.005 4.333 4.350 -0.019 0.000 0.279 342 E C 0.416 177.053 176.600 0.061 0.000 1.068 342 E CA 0.313 56.742 56.400 0.048 0.000 0.882 342 E CB 0.165 29.929 29.700 0.106 0.000 1.039 342 E HN 0.925 nan 8.360 nan 0.000 0.418 343 H N 4.004 122.939 119.070 -0.224 0.000 2.489 343 H HA -0.061 4.483 4.556 -0.019 0.000 0.293 343 H C 1.395 176.340 175.328 -0.639 0.000 1.066 343 H CA 1.351 57.200 56.048 -0.332 0.000 1.305 343 H CB 0.315 29.819 29.762 -0.430 0.000 1.386 343 H HN 0.579 nan 8.280 nan 0.000 0.551 344 A N 0.407 122.957 122.820 -0.449 0.000 1.972 344 A HA -0.100 4.209 4.320 -0.019 0.000 0.219 344 A C 2.702 180.199 177.584 -0.145 0.000 1.169 344 A CA 1.546 53.308 52.037 -0.458 0.000 0.635 344 A CB -0.766 18.143 19.000 -0.151 0.000 0.810 344 A HN 0.478 nan 8.150 nan 0.000 0.446 345 A N -1.347 121.451 122.820 -0.035 0.000 1.930 345 A HA 0.485 4.793 4.320 -0.019 0.000 0.217 345 A C 1.222 178.812 177.584 0.010 0.000 1.175 345 A CA 1.904 53.950 52.037 0.014 0.000 0.627 345 A CB -0.437 18.582 19.000 0.032 0.000 0.815 345 A HN 1.735 nan 8.150 nan 0.000 0.443 346 A N -2.010 120.826 122.820 0.027 0.000 2.438 346 A HA 0.591 4.900 4.320 -0.019 0.000 0.301 346 A C -1.147 176.470 177.584 0.054 0.000 1.101 346 A CA -0.539 51.498 52.037 0.000 0.000 0.621 346 A CB 0.036 18.941 19.000 -0.158 0.000 1.350 346 A HN 0.081 nan 8.150 nan 0.000 0.496 347 E N -0.870 119.330 120.200 -0.001 0.000 2.700 347 E HA 0.563 4.901 4.350 -0.019 0.000 0.253 347 E C 1.443 177.936 176.600 -0.177 0.000 1.175 347 E CA 0.459 56.882 56.400 0.039 0.000 1.010 347 E CB 0.470 30.233 29.700 0.104 0.000 1.284 347 E HN 0.778 nan 8.360 nan 0.000 0.557 348 G N 0.181 108.934 108.800 -0.080 0.000 2.394 348 G HA2 -0.105 3.844 3.960 -0.019 0.000 0.214 348 G HA3 -0.105 3.844 3.960 -0.019 0.000 0.214 348 G C -1.124 173.682 174.900 -0.157 0.000 1.176 348 G CA 0.460 45.478 45.100 -0.138 0.000 0.786 348 G HN 0.380 nan 8.290 nan 0.000 0.533 349 P HA -0.122 nan 4.420 nan 0.000 0.215 349 P C -1.321 175.928 177.300 -0.085 0.000 1.163 349 P CA 2.021 65.085 63.100 -0.060 0.000 0.894 349 P CB -0.743 30.944 31.700 -0.021 0.000 0.791 350 P HA -0.130 nan 4.420 nan 0.000 0.216 350 P C 1.453 178.618 177.300 -0.225 0.000 1.150 350 P CA 1.202 64.101 63.100 -0.336 0.000 0.837 350 P CB -0.526 30.715 31.700 -0.766 0.000 0.786 351 I N -0.648 119.720 120.570 -0.338 0.000 2.202 351 I HA -0.143 4.015 4.170 -0.019 0.000 0.242 351 I C 2.281 178.254 176.117 -0.239 0.000 1.091 351 I CA 1.694 62.764 61.300 -0.384 0.000 1.368 351 I CB -1.655 35.957 38.000 -0.647 0.000 1.058 351 I HN -0.050 nan 8.210 nan 0.000 0.410 352 V N -0.290 119.528 119.914 -0.160 0.000 2.809 352 V HA 0.007 4.116 4.120 -0.019 0.000 0.256 352 V C 2.641 178.711 176.094 -0.040 0.000 1.080 352 V CA 1.226 63.477 62.300 -0.081 0.000 1.102 352 V CB -1.425 30.372 31.823 -0.042 0.000 0.705 352 V HN 0.260 nan 8.190 nan 0.000 0.475 353 A N 0.696 123.515 122.820 -0.001 0.000 1.933 353 A HA -0.059 4.249 4.320 -0.019 0.000 0.218 353 A C 2.240 179.780 177.584 -0.074 0.000 1.175 353 A CA 2.033 54.123 52.037 0.089 0.000 0.628 353 A CB -0.511 18.663 19.000 0.290 0.000 0.814 353 A HN 0.610 nan 8.150 nan 0.000 0.444 354 L N -0.542 120.452 121.223 -0.382 0.000 2.072 354 L HA -0.083 4.246 4.340 -0.019 0.000 0.205 354 L C 2.365 179.032 176.870 -0.339 0.000 1.079 354 L CA 1.180 55.477 54.840 -0.905 0.000 0.752 354 L CB -0.197 41.320 42.059 -0.904 0.000 0.906 354 L HN 0.176 nan 8.230 nan 0.000 0.436 355 V N 0.391 120.211 119.914 -0.157 0.000 2.287 355 V HA -0.333 3.775 4.120 -0.019 0.000 0.248 355 V C 2.187 178.296 176.094 0.025 0.000 1.053 355 V CA 2.218 64.506 62.300 -0.021 0.000 1.027 355 V CB -0.674 31.146 31.823 -0.004 0.000 0.646 355 V HN 0.524 nan 8.190 nan 0.000 0.447 356 D N -1.455 118.964 120.400 0.031 0.000 2.144 356 D HA -0.178 4.451 4.640 -0.019 0.000 0.199 356 D C 2.092 178.452 176.300 0.099 0.000 0.984 356 D CA 1.352 55.393 54.000 0.069 0.000 0.834 356 D CB -0.362 40.484 40.800 0.076 0.000 0.955 356 D HN 0.521 nan 8.370 nan 0.000 0.465 357 H N 0.698 119.789 119.070 0.034 0.000 2.326 357 H HA -0.047 4.497 4.556 -0.019 0.000 0.301 357 H C 2.100 177.485 175.328 0.094 0.000 1.081 357 H CA 1.021 57.133 56.048 0.107 0.000 1.334 357 H CB -0.045 29.857 29.762 0.233 0.000 1.385 357 H HN -0.060 nan 8.280 nan 0.000 0.504 358 V N 1.400 121.420 119.914 0.176 0.000 2.261 358 V HA -0.289 3.820 4.120 -0.019 0.000 0.246 358 V C 2.905 179.067 176.094 0.113 0.000 1.047 358 V CA 1.728 64.078 62.300 0.084 0.000 1.015 358 V CB -0.525 31.250 31.823 -0.079 0.000 0.642 358 V HN 0.350 nan 8.190 nan 0.000 0.446 359 M N -0.296 119.371 119.600 0.111 0.000 2.080 359 M HA -0.204 4.264 4.480 -0.019 0.000 0.260 359 M C 2.224 178.599 176.300 0.125 0.000 1.068 359 M CA 1.881 57.269 55.300 0.146 0.000 1.109 359 M CB -1.325 31.355 32.600 0.132 0.000 1.342 359 M HN 0.538 nan 8.290 nan 0.000 0.405 360 E N -0.639 119.608 120.200 0.078 0.000 2.118 360 E HA -0.257 4.081 4.350 -0.019 0.000 0.195 360 E C 2.056 178.674 176.600 0.029 0.000 0.992 360 E CA 1.261 57.679 56.400 0.031 0.000 0.804 360 E CB -0.219 29.467 29.700 -0.023 0.000 0.741 360 E HN 0.491 nan 8.360 nan 0.000 0.458 361 Y N 1.337 121.598 120.300 -0.065 0.000 2.200 361 Y HA -0.192 4.346 4.550 -0.019 0.000 0.290 361 Y C 2.534 178.430 175.900 -0.006 0.000 1.137 361 Y CA 2.234 60.303 58.100 -0.051 0.000 1.163 361 Y CB -0.555 37.888 38.460 -0.030 0.000 0.988 361 Y HN 0.189 nan 8.280 nan 0.000 0.518 362 T N -2.350 112.349 114.554 0.242 0.000 3.051 362 T HA -0.121 4.218 4.350 -0.019 0.000 0.269 362 T C 1.474 176.242 174.700 0.114 0.000 1.127 362 T CA 1.324 63.547 62.100 0.205 0.000 1.107 362 T CB -0.295 68.750 68.868 0.295 0.000 0.898 362 T HN 0.358 nan 8.240 nan 0.000 0.517 363 K N 0.637 121.068 120.400 0.052 0.000 2.400 363 K HA 0.164 4.473 4.320 -0.019 0.000 0.194 363 K C 0.653 177.225 176.600 -0.047 0.000 1.033 363 K CA 0.081 56.378 56.287 0.016 0.000 1.021 363 K CB 0.225 32.735 32.500 0.016 0.000 0.808 363 K HN 0.386 nan 8.250 nan 0.000 0.505 364 K N 2.127 122.452 120.400 -0.124 0.000 2.414 364 K HA 0.055 4.363 4.320 -0.019 0.000 0.272 364 K C -2.346 174.175 176.600 -0.131 0.000 0.993 364 K CA -1.286 54.894 56.287 -0.178 0.000 0.964 364 K CB 0.011 32.296 32.500 -0.358 0.000 0.925 364 K HN -0.143 nan 8.250 nan 0.000 0.487 365 P HA -0.051 nan 4.420 nan 0.000 0.278 365 P C -0.759 176.494 177.300 -0.079 0.000 1.270 365 P CA -0.013 63.042 63.100 -0.074 0.000 0.800 365 P CB 0.391 32.054 31.700 -0.062 0.000 1.142 366 E N 0.072 120.237 120.200 -0.058 0.000 2.674 366 E HA 0.139 4.478 4.350 -0.019 0.000 0.240 366 E C 0.568 177.142 176.600 -0.043 0.000 1.213 366 E CA -0.019 56.350 56.400 -0.051 0.000 1.357 366 E CB -0.476 29.197 29.700 -0.046 0.000 1.467 366 E HN 0.302 nan 8.360 nan 0.000 0.448 367 L N 0.325 121.520 121.223 -0.047 0.000 2.162 367 L HA -0.007 4.322 4.340 -0.019 0.000 0.205 367 L C 1.332 178.187 176.870 -0.024 0.000 1.086 367 L CA 0.509 55.328 54.840 -0.035 0.000 0.778 367 L CB 0.000 42.036 42.059 -0.039 0.000 0.928 367 L HN 0.201 nan 8.230 nan 0.000 0.446 368 V N -1.296 118.604 119.914 -0.022 0.000 2.056 368 V HA 0.299 4.408 4.120 -0.019 0.000 0.267 368 V C -0.010 176.083 176.094 -0.001 0.000 1.535 368 V CA -0.345 61.952 62.300 -0.004 0.000 1.475 368 V CB -0.689 31.141 31.823 0.011 0.000 1.441 368 V HN 0.237 nan 8.190 nan 0.000 0.500 369 R N 2.563 123.058 120.500 -0.008 0.000 2.587 369 R HA 0.456 4.784 4.340 -0.019 0.000 0.283 369 R C 0.009 176.306 176.300 -0.005 0.000 1.472 369 R CA 0.123 56.218 56.100 -0.009 0.000 1.578 369 R CB 1.322 31.609 30.300 -0.022 0.000 1.130 369 R HN 0.799 nan 8.270 nan 0.000 0.602 370 S N 0.738 116.440 115.700 0.003 0.000 2.704 370 S HA 0.717 5.175 4.470 -0.019 0.000 0.305 370 S C -2.022 172.582 174.600 0.006 0.000 1.107 370 S CA -1.269 56.933 58.200 0.002 0.000 0.993 370 S CB 1.631 64.832 63.200 0.002 0.000 1.110 370 S HN 0.252 nan 8.310 nan 0.000 0.534 371 P HA 0.145 nan 4.420 nan 0.000 0.267 371 P C -0.121 177.185 177.300 0.009 0.000 1.200 371 P CA -0.274 62.830 63.100 0.007 0.000 0.772 371 P CB 0.324 32.025 31.700 0.002 0.000 0.855 372 M N 2.018 121.629 119.600 0.018 0.000 2.248 372 M HA 0.601 5.070 4.480 -0.019 0.000 0.215 372 M C 0.162 176.467 176.300 0.007 0.000 1.103 372 M CA -0.650 54.664 55.300 0.024 0.000 1.154 372 M CB 0.192 32.822 32.600 0.050 0.000 1.218 372 M HN 0.196 nan 8.290 nan 0.000 0.623 373 V N -4.440 115.484 119.914 0.017 0.000 3.167 373 V HA 0.705 4.813 4.120 -0.019 0.000 0.310 373 V C -2.944 173.169 176.094 0.031 0.000 1.207 373 V CA -2.139 60.163 62.300 0.003 0.000 1.059 373 V CB 0.785 32.578 31.823 -0.049 0.000 1.079 373 V HN 0.731 nan 8.190 nan 0.000 0.446 374 P HA 0.439 nan 4.420 nan 0.000 0.264 374 P C -1.028 176.303 177.300 0.051 0.000 1.193 374 P CA 0.349 63.466 63.100 0.029 0.000 0.763 374 P CB 0.232 31.944 31.700 0.020 0.000 0.810 375 L N 5.241 126.488 121.223 0.041 0.000 2.362 375 L HA 0.564 4.893 4.340 -0.019 0.000 0.271 375 L C -1.859 175.023 176.870 0.020 0.000 1.002 375 L CA -2.075 52.790 54.840 0.042 0.000 0.818 375 L CB 2.048 44.126 42.059 0.033 0.000 1.298 375 L HN 0.308 nan 8.230 nan 0.000 0.420 376 P HA 0.203 nan 4.420 nan 0.000 0.277 376 P C -0.955 176.346 177.300 0.001 0.000 1.271 376 P CA -0.721 62.383 63.100 0.008 0.000 0.795 376 P CB 0.886 32.590 31.700 0.008 0.000 1.101 377 M N 1.570 121.173 119.600 0.005 0.000 2.105 377 M HA 0.357 4.826 4.480 -0.019 0.000 0.350 377 M C -2.424 173.892 176.300 0.028 0.000 1.308 377 M CA -2.410 52.898 55.300 0.012 0.000 1.108 377 M CB -0.262 32.351 32.600 0.021 0.000 1.622 377 M HN 0.067 nan 8.290 nan 0.000 0.468 378 P HA 0.006 nan 4.420 nan 0.000 0.264 378 P C -1.225 176.163 177.300 0.147 0.000 1.183 378 P CA 0.344 63.489 63.100 0.075 0.000 0.763 378 P CB 0.207 31.945 31.700 0.064 0.000 0.807 379 K N 2.884 123.335 120.400 0.086 0.000 2.349 379 K HA 0.131 4.439 4.320 -0.019 0.000 0.288 379 K C 0.434 177.036 176.600 0.002 0.000 1.058 379 K CA -0.417 55.888 56.287 0.030 0.000 0.953 379 K CB 0.662 33.127 32.500 -0.058 0.000 0.997 379 K HN 0.342 nan 8.250 nan 0.000 0.477 380 K N 4.072 124.408 120.400 -0.107 0.000 2.298 380 K HA 0.109 4.417 4.320 -0.019 0.000 0.280 380 K C -0.564 175.810 176.600 -0.377 0.000 1.032 380 K CA -0.320 55.657 56.287 -0.517 0.000 0.958 380 K CB 0.469 32.642 32.500 -0.546 0.000 0.978 380 K HN 0.503 nan 8.250 nan 0.000 0.472 381 L N 6.534 127.510 121.223 -0.412 0.000 2.352 381 L HA 0.306 4.634 4.340 -0.019 0.000 0.272 381 L C 0.432 177.006 176.870 -0.494 0.000 1.109 381 L CA -0.535 54.067 54.840 -0.396 0.000 0.952 381 L CB 0.398 42.243 42.059 -0.357 0.000 1.314 381 L HN 0.568 nan 8.230 nan 0.000 0.427 382 R N 1.710 121.963 120.500 -0.412 0.000 2.774 382 R HA 0.448 4.777 4.340 -0.019 0.000 0.269 382 R C -1.049 174.948 176.300 -0.505 0.000 1.068 382 R CA 0.031 55.943 56.100 -0.313 0.000 1.180 382 R CB 0.659 30.854 30.300 -0.175 0.000 1.077 382 R HN 0.168 nan 8.270 nan 0.000 0.513 383 F N -0.033 119.912 119.950 -0.009 0.000 2.569 383 F HA 0.263 4.779 4.527 -0.019 0.000 0.312 383 F C -0.018 175.790 175.800 0.013 0.000 1.109 383 F CA -0.964 57.043 58.000 0.011 0.000 0.919 383 F CB 1.737 40.769 39.000 0.053 0.000 1.211 383 F HN 0.275 nan 8.300 nan 0.000 0.446 384 N N 4.207 123.029 118.700 0.205 0.000 2.420 384 N HA 0.290 5.019 4.740 -0.019 0.000 0.249 384 N C -0.824 174.760 175.510 0.124 0.000 1.033 384 N CA -0.210 52.911 53.050 0.118 0.000 0.944 384 N CB 1.215 39.743 38.487 0.068 0.000 1.113 384 N HN 0.311 nan 8.380 nan 0.000 0.502 385 I N 2.487 123.118 120.570 0.102 0.000 2.312 385 I HA 0.117 4.276 4.170 -0.019 0.000 0.291 385 I C 1.356 177.503 176.117 0.050 0.000 1.031 385 I CA -0.379 60.966 61.300 0.075 0.000 1.293 385 I CB 0.111 38.151 38.000 0.068 0.000 1.403 385 I HN 0.344 nan 8.210 nan 0.000 0.484 386 T N 4.060 118.639 114.554 0.042 0.000 2.897 386 T HA 0.431 4.769 4.350 -0.019 0.000 0.278 386 T C -1.881 172.833 174.700 0.025 0.000 0.981 386 T CA -1.733 60.385 62.100 0.030 0.000 0.973 386 T CB 1.480 70.364 68.868 0.027 0.000 1.092 386 T HN 0.237 nan 8.240 nan 0.000 0.543 387 P HA -0.028 nan 4.420 nan 0.000 0.218 387 P C 1.405 178.714 177.300 0.015 0.000 1.149 387 P CA 0.847 63.956 63.100 0.015 0.000 0.817 387 P CB 0.130 31.837 31.700 0.012 0.000 0.785 388 E N -0.220 119.990 120.200 0.016 0.000 2.072 388 E HA -0.133 4.205 4.350 -0.019 0.000 0.191 388 E C 1.851 178.465 176.600 0.023 0.000 0.985 388 E CA 0.912 57.322 56.400 0.018 0.000 0.801 388 E CB -0.424 29.287 29.700 0.017 0.000 0.750 388 E HN 0.144 nan 8.360 nan 0.000 0.452 389 I N 0.779 121.365 120.570 0.026 0.000 2.315 389 I HA -0.204 3.954 4.170 -0.019 0.000 0.248 389 I C 2.494 178.621 176.117 0.017 0.000 1.117 389 I CA 0.854 62.172 61.300 0.029 0.000 1.404 389 I CB -0.228 37.792 38.000 0.032 0.000 1.071 389 I HN 0.047 nan 8.210 nan 0.000 0.419 390 K N 1.920 122.329 120.400 0.015 0.000 2.057 390 K HA -0.244 4.065 4.320 -0.019 0.000 0.207 390 K C 1.761 178.363 176.600 0.003 0.000 1.049 390 K CA 2.020 58.311 56.287 0.008 0.000 0.931 390 K CB -0.509 31.998 32.500 0.013 0.000 0.714 390 K HN 0.214 nan 8.250 nan 0.000 0.440 391 N N 0.536 119.240 118.700 0.007 0.000 2.084 391 N HA -0.160 4.569 4.740 -0.019 0.000 0.190 391 N C 1.236 176.748 175.510 0.003 0.000 1.030 391 N CA 1.979 55.031 53.050 0.004 0.000 0.849 391 N CB -0.294 38.197 38.487 0.007 0.000 1.012 391 N HN 0.235 nan 8.380 nan 0.000 0.423 392 D N 0.120 120.527 120.400 0.013 0.000 2.123 392 D HA -0.123 4.506 4.640 -0.019 0.000 0.196 392 D C 2.002 178.298 176.300 -0.006 0.000 0.992 392 D CA 0.872 54.885 54.000 0.021 0.000 0.833 392 D CB -0.222 40.611 40.800 0.056 0.000 0.954 392 D HN 0.435 nan 8.370 nan 0.000 0.455 393 I N 1.175 121.733 120.570 -0.020 0.000 2.179 393 I HA -0.221 3.938 4.170 -0.019 0.000 0.242 393 I C 2.320 178.406 176.117 -0.052 0.000 1.088 393 I CA 0.971 62.239 61.300 -0.053 0.000 1.357 393 I CB -0.131 37.838 38.000 -0.053 0.000 1.051 393 I HN -0.092 nan 8.210 nan 0.000 0.409 394 E N 0.983 121.164 120.200 -0.032 0.000 2.118 394 E HA -0.194 4.144 4.350 -0.019 0.000 0.195 394 E C 2.119 178.700 176.600 -0.031 0.000 0.992 394 E CA 1.045 57.428 56.400 -0.029 0.000 0.804 394 E CB -0.209 29.481 29.700 -0.017 0.000 0.741 394 E HN 0.383 nan 8.360 nan 0.000 0.458 395 K N 0.483 120.867 120.400 -0.027 0.000 2.057 395 K HA 0.003 4.312 4.320 -0.019 0.000 0.206 395 K C 2.086 178.662 176.600 -0.040 0.000 1.050 395 K CA 1.012 57.284 56.287 -0.026 0.000 0.935 395 K CB -0.441 32.051 32.500 -0.014 0.000 0.715 395 K HN 0.085 nan 8.250 nan 0.000 0.439 396 A N 2.023 124.810 122.820 -0.056 0.000 1.902 396 A HA -0.200 4.109 4.320 -0.019 0.000 0.217 396 A C 2.118 179.649 177.584 -0.088 0.000 1.181 396 A CA 1.689 53.672 52.037 -0.089 0.000 0.623 396 A CB -0.345 18.572 19.000 -0.138 0.000 0.818 396 A HN 0.283 nan 8.150 nan 0.000 0.443 397 K N -0.582 119.773 120.400 -0.076 0.000 2.032 397 K HA -0.217 4.092 4.320 -0.019 0.000 0.209 397 K C 2.366 178.937 176.600 -0.048 0.000 1.048 397 K CA 1.855 58.104 56.287 -0.063 0.000 0.927 397 K CB -0.249 32.220 32.500 -0.052 0.000 0.712 397 K HN 0.627 nan 8.250 nan 0.000 0.441 398 Q N 0.503 120.278 119.800 -0.041 0.000 2.050 398 Q HA -0.201 4.128 4.340 -0.019 0.000 0.202 398 Q C 2.033 178.010 176.000 -0.039 0.000 0.980 398 Q CA 1.792 57.575 55.803 -0.033 0.000 0.840 398 Q CB -0.230 28.491 28.738 -0.028 0.000 0.898 398 Q HN 0.299 nan 8.270 nan 0.000 0.424 399 N N 0.402 119.076 118.700 -0.044 0.000 2.104 399 N HA -0.195 4.533 4.740 -0.019 0.000 0.190 399 N C 1.584 177.061 175.510 -0.055 0.000 1.024 399 N CA 0.854 53.878 53.050 -0.043 0.000 0.853 399 N CB -0.129 38.335 38.487 -0.038 0.000 1.008 399 N HN 0.163 nan 8.380 nan 0.000 0.424 400 L N -0.062 121.113 121.223 -0.080 0.000 2.093 400 L HA 0.059 4.387 4.340 -0.019 0.000 0.208 400 L C 2.279 179.086 176.870 -0.105 0.000 1.085 400 L CA 1.459 56.232 54.840 -0.112 0.000 0.755 400 L CB -1.182 40.802 42.059 -0.125 0.000 0.904 400 L HN 0.181 nan 8.230 nan 0.000 0.435 401 S N -0.569 115.091 115.700 -0.066 0.000 2.370 401 S HA -0.164 4.294 4.470 -0.019 0.000 0.226 401 S C 1.997 176.565 174.600 -0.055 0.000 1.033 401 S CA 1.735 59.906 58.200 -0.048 0.000 1.011 401 S CB -0.402 62.786 63.200 -0.020 0.000 0.852 401 S HN 0.521 nan 8.310 nan 0.000 0.457 402 I N 0.858 121.400 120.570 -0.046 0.000 2.252 402 I HA -0.206 3.952 4.170 -0.019 0.000 0.245 402 I C 2.504 178.598 176.117 -0.037 0.000 1.102 402 I CA 1.266 62.545 61.300 -0.035 0.000 1.385 402 I CB -0.352 37.632 38.000 -0.028 0.000 1.064 402 I HN 0.350 nan 8.210 nan 0.000 0.414 403 M N 0.283 119.853 119.600 -0.049 0.000 2.080 403 M HA -0.225 4.243 4.480 -0.019 0.000 0.260 403 M C 2.367 178.596 176.300 -0.117 0.000 1.068 403 M CA 2.066 57.339 55.300 -0.045 0.000 1.109 403 M CB -0.426 32.119 32.600 -0.091 0.000 1.342 403 M HN 0.162 nan 8.290 nan 0.000 0.405 404 I N -0.239 120.193 120.570 -0.230 0.000 2.179 404 I HA -0.307 3.852 4.170 -0.019 0.000 0.242 404 I C 2.483 178.500 176.117 -0.167 0.000 1.088 404 I CA 1.472 62.555 61.300 -0.362 0.000 1.357 404 I CB -0.473 37.251 38.000 -0.459 0.000 1.051 404 I HN 0.379 nan 8.210 nan 0.000 0.409 405 Q N 0.023 119.767 119.800 -0.093 0.000 2.181 405 Q HA -0.274 4.054 4.340 -0.019 0.000 0.205 405 Q C 1.365 177.362 176.000 -0.005 0.000 0.980 405 Q CA 1.709 57.489 55.803 -0.038 0.000 0.862 405 Q CB -0.102 28.624 28.738 -0.019 0.000 0.905 405 Q HN 0.391 nan 8.270 nan 0.000 0.429 406 D N -0.676 119.733 120.400 0.015 0.000 2.340 406 D HA 0.000 4.629 4.640 -0.019 0.000 0.220 406 D C -0.602 175.797 176.300 0.163 0.000 1.039 406 D CA -0.041 54.007 54.000 0.080 0.000 0.866 406 D CB 0.348 41.193 40.800 0.075 0.000 0.913 406 D HN -0.022 nan 8.370 nan 0.000 0.523 407 L N 0.878 122.159 121.223 0.096 0.000 2.292 407 L HA 0.351 4.679 4.340 -0.019 0.000 0.284 407 L C -0.940 175.942 176.870 0.020 0.000 1.065 407 L CA -0.279 54.616 54.840 0.091 0.000 0.806 407 L CB 1.498 43.587 42.059 0.050 0.000 1.175 407 L HN -0.195 nan 8.230 nan 0.000 0.431 408 D N 5.516 125.913 120.400 -0.005 0.000 2.453 408 D HA 0.386 5.014 4.640 -0.019 0.000 0.238 408 D C -0.952 175.321 176.300 -0.046 0.000 1.088 408 D CA -0.082 53.906 54.000 -0.021 0.000 0.854 408 D CB 0.506 41.305 40.800 -0.002 0.000 1.076 408 D HN 0.457 nan 8.370 nan 0.000 0.533 409 I N 3.168 123.698 120.570 -0.066 0.000 2.441 409 I HA 0.402 4.561 4.170 -0.019 0.000 0.295 409 I C -0.505 175.558 176.117 -0.090 0.000 0.994 409 I CA -1.042 60.198 61.300 -0.099 0.000 1.144 409 I CB 1.778 39.677 38.000 -0.169 0.000 1.314 409 I HN 0.328 nan 8.210 nan 0.000 0.445 410 M N 8.103 127.656 119.600 -0.079 0.000 2.151 410 M HA 0.484 4.953 4.480 -0.019 0.000 0.290 410 M C -1.412 174.857 176.300 -0.053 0.000 0.965 410 M CA -0.475 54.788 55.300 -0.062 0.000 0.930 410 M CB 1.412 33.973 32.600 -0.065 0.000 1.560 410 M HN 0.310 nan 8.290 nan 0.000 0.438 411 M N 5.258 124.831 119.600 -0.045 0.000 2.264 411 M HA 0.574 5.043 4.480 -0.019 0.000 0.352 411 M C -1.309 175.032 176.300 0.068 0.000 1.173 411 M CA -0.717 54.578 55.300 -0.008 0.000 1.075 411 M CB 1.093 33.661 32.600 -0.053 0.000 1.621 411 M HN 0.795 nan 8.290 nan 0.000 0.457 412 L N 2.716 124.027 121.223 0.148 0.000 2.441 412 L HA 0.523 4.851 4.340 -0.019 0.000 0.270 412 L C -0.862 176.187 176.870 0.298 0.000 0.973 412 L CA 0.127 55.093 54.840 0.211 0.000 0.842 412 L CB 1.979 44.165 42.059 0.212 0.000 1.239 412 L HN 0.667 nan 8.230 nan 0.000 0.406 413 T N 5.679 120.381 114.554 0.247 0.000 2.762 413 T HA 0.309 4.647 4.350 -0.019 0.000 0.303 413 T C -0.483 174.402 174.700 0.307 0.000 0.977 413 T CA 0.258 62.514 62.100 0.260 0.000 0.961 413 T CB -0.208 68.752 68.868 0.152 0.000 0.944 413 T HN 0.391 nan 8.240 nan 0.000 0.481 414 F N 6.501 126.580 119.950 0.215 0.000 2.462 414 F HA 0.177 4.693 4.527 -0.017 0.000 0.354 414 F C 1.814 177.600 175.800 -0.023 0.000 1.192 414 F CA -0.907 57.149 58.000 0.093 0.000 1.173 414 F CB 0.097 39.214 39.000 0.196 0.000 1.402 414 F HN 0.688 nan 8.300 nan 0.000 0.595 415 H N 3.169 121.994 119.070 -0.408 0.000 2.502 415 H HA -0.075 4.471 4.556 -0.016 0.000 0.283 415 H C 1.391 176.492 175.328 -0.378 0.000 1.015 415 H CA 1.194 57.053 56.048 -0.316 0.000 1.298 415 H CB -0.548 29.014 29.762 -0.333 0.000 1.411 415 H HN 0.599 nan 8.280 nan 0.000 0.556 416 H N 1.595 119.939 119.070 -1.210 0.000 2.362 416 H HA -0.096 4.449 4.556 -0.019 0.000 0.294 416 H C 0.569 175.825 175.328 -0.120 0.000 1.113 416 H CA 1.922 57.488 56.048 -0.803 0.000 1.253 416 H CB -0.278 28.782 29.762 -1.171 0.000 1.363 416 H HN 0.512 nan 8.280 nan 0.000 0.494 417 F N -3.550 116.440 119.950 0.066 0.000 3.031 417 F HA 0.570 5.085 4.527 -0.019 0.000 0.326 417 F C 0.067 176.071 175.800 0.340 0.000 1.143 417 F CA -0.546 57.586 58.000 0.220 0.000 0.871 417 F CB 0.756 39.876 39.000 0.199 0.000 1.377 417 F HN 0.041 nan 8.300 nan 0.000 0.462 418 G N 0.380 109.523 108.800 0.573 0.000 3.310 418 G HA2 0.320 4.269 3.960 -0.019 0.000 0.174 418 G HA3 0.320 4.269 3.960 -0.019 0.000 0.174 418 G C -0.242 174.844 174.900 0.309 0.000 1.097 418 G CA -0.577 44.726 45.100 0.339 0.000 0.795 418 G HN 0.653 nan 8.290 nan 0.000 0.670 419 K N 0.645 121.132 120.400 0.144 0.000 2.211 419 K HA -0.054 4.254 4.320 -0.019 0.000 0.203 419 K C 2.148 178.770 176.600 0.038 0.000 1.050 419 K CA 1.589 57.920 56.287 0.073 0.000 0.945 419 K CB -0.075 32.452 32.500 0.044 0.000 0.732 419 K HN 0.519 nan 8.250 nan 0.000 0.451 420 D N 1.215 121.665 120.400 0.083 0.000 2.126 420 D HA -0.266 4.362 4.640 -0.019 0.000 0.190 420 D C 1.768 178.055 176.300 -0.022 0.000 1.001 420 D CA 1.351 55.381 54.000 0.049 0.000 0.841 420 D CB -0.803 40.058 40.800 0.102 0.000 0.949 420 D HN 0.178 nan 8.370 nan 0.000 0.446 421 F N 2.047 121.902 119.950 -0.158 0.000 2.051 421 F HA 0.021 4.537 4.527 -0.018 0.000 0.296 421 F C -0.890 174.690 175.800 -0.367 0.000 1.122 421 F CA 0.724 58.513 58.000 -0.351 0.000 1.201 421 F CB -1.359 37.172 39.000 -0.780 0.000 0.978 421 F HN -0.014 nan 8.300 nan 0.000 0.472 422 P HA -0.213 nan 4.420 nan 0.000 0.216 422 P C 1.351 178.395 177.300 -0.426 0.000 1.153 422 P CA 2.433 65.114 63.100 -0.697 0.000 0.858 422 P CB -0.141 31.284 31.700 -0.460 0.000 0.789 423 K N -0.267 119.971 120.400 -0.270 0.000 2.057 423 K HA -0.100 4.208 4.320 -0.019 0.000 0.207 423 K C 2.297 178.780 176.600 -0.194 0.000 1.049 423 K CA 1.947 58.133 56.287 -0.168 0.000 0.931 423 K CB -0.652 31.794 32.500 -0.090 0.000 0.714 423 K HN 0.238 nan 8.250 nan 0.000 0.440 424 S N 1.289 116.838 115.700 -0.251 0.000 2.419 424 S HA -0.114 4.345 4.470 -0.019 0.000 0.233 424 S C 1.538 175.986 174.600 -0.253 0.000 1.016 424 S CA 0.958 59.032 58.200 -0.210 0.000 0.974 424 S CB -0.087 63.006 63.200 -0.178 0.000 0.786 424 S HN 0.187 nan 8.310 nan 0.000 0.492 425 E N 1.233 121.186 120.200 -0.411 0.000 2.502 425 E HA 0.128 4.466 4.350 -0.019 0.000 0.194 425 E C -0.079 176.412 176.600 -0.181 0.000 1.062 425 E CA 0.040 56.242 56.400 -0.329 0.000 0.867 425 E CB -0.213 29.191 29.700 -0.493 0.000 0.888 425 E HN 0.610 nan 8.360 nan 0.000 0.510 426 K N 0.197 120.504 120.400 -0.155 0.000 3.125 426 K HA -0.182 4.126 4.320 -0.019 0.000 0.268 426 K C -0.464 176.096 176.600 -0.066 0.000 1.078 426 K CA 0.360 56.595 56.287 -0.087 0.000 0.775 426 K CB -1.590 30.876 32.500 -0.057 0.000 1.253 426 K HN 0.128 nan 8.250 nan 0.000 0.486 427 L N 0.008 121.179 121.223 -0.087 0.000 2.381 427 L HA 0.306 4.635 4.340 -0.019 0.000 0.268 427 L C 0.559 177.428 176.870 -0.003 0.000 0.997 427 L CA -0.871 53.954 54.840 -0.025 0.000 0.818 427 L CB 1.967 44.033 42.059 0.011 0.000 1.310 427 L HN 0.064 nan 8.230 nan 0.000 0.416 428 S N 2.557 118.286 115.700 0.049 0.000 2.515 428 S HA 0.141 4.600 4.470 -0.019 0.000 0.285 428 S C -1.680 172.984 174.600 0.106 0.000 1.265 428 S CA -0.898 57.346 58.200 0.072 0.000 1.079 428 S CB 0.825 64.088 63.200 0.104 0.000 0.877 428 S HN 0.366 nan 8.310 nan 0.000 0.493 429 P HA -0.091 nan 4.420 nan 0.000 0.215 429 P C 0.968 178.374 177.300 0.176 0.000 1.153 429 P CA 1.097 64.257 63.100 0.101 0.000 0.853 429 P CB 0.096 31.835 31.700 0.065 0.000 0.788 430 D N -0.793 119.708 120.400 0.169 0.000 2.097 430 D HA -0.136 4.493 4.640 -0.019 0.000 0.195 430 D C 1.916 178.271 176.300 0.093 0.000 0.989 430 D CA 1.409 55.531 54.000 0.204 0.000 0.827 430 D CB -0.639 40.300 40.800 0.231 0.000 0.966 430 D HN -0.046 nan 8.370 nan 0.000 0.456 431 A N -0.497 122.364 122.820 0.068 0.000 1.933 431 A HA -0.114 4.195 4.320 -0.019 0.000 0.218 431 A C 2.144 179.658 177.584 -0.118 0.000 1.175 431 A CA 1.150 53.096 52.037 -0.152 0.000 0.628 431 A CB -1.157 17.899 19.000 0.094 0.000 0.814 431 A HN 0.435 nan 8.150 nan 0.000 0.444 432 F N 0.598 120.495 119.950 -0.088 0.000 2.134 432 F HA -0.150 4.366 4.527 -0.019 0.000 0.299 432 F C 1.950 177.715 175.800 -0.058 0.000 1.097 432 F CA 1.736 59.703 58.000 -0.055 0.000 1.264 432 F CB -0.189 38.825 39.000 0.023 0.000 1.001 432 F HN 0.184 nan 8.300 nan 0.000 0.479 433 I N -0.163 120.534 120.570 0.212 0.000 2.252 433 I HA -0.278 3.880 4.170 -0.019 0.000 0.245 433 I C 2.406 178.451 176.117 -0.119 0.000 1.102 433 I CA 0.952 62.273 61.300 0.036 0.000 1.385 433 I CB -0.562 37.375 38.000 -0.106 0.000 1.064 433 I HN 0.184 nan 8.210 nan 0.000 0.414 434 Q N 0.253 119.959 119.800 -0.155 0.000 2.084 434 Q HA -0.132 4.196 4.340 -0.019 0.000 0.202 434 Q C 2.494 178.390 176.000 -0.173 0.000 0.978 434 Q CA 1.345 57.037 55.803 -0.186 0.000 0.844 434 Q CB -0.434 28.046 28.738 -0.430 0.000 0.898 434 Q HN 0.392 nan 8.270 nan 0.000 0.426 435 V N 1.106 120.879 119.914 -0.234 0.000 2.358 435 V HA -0.230 3.879 4.120 -0.019 0.000 0.246 435 V C 2.374 178.423 176.094 -0.076 0.000 1.047 435 V CA 1.644 63.846 62.300 -0.164 0.000 1.035 435 V CB -0.991 30.648 31.823 -0.307 0.000 0.658 435 V HN 0.311 nan 8.190 nan 0.000 0.452 436 A N -0.086 122.634 122.820 -0.167 0.000 1.902 436 A HA -0.202 4.107 4.320 -0.019 0.000 0.217 436 A C 2.156 179.720 177.584 -0.033 0.000 1.181 436 A CA 2.067 54.044 52.037 -0.101 0.000 0.623 436 A CB -0.568 18.334 19.000 -0.164 0.000 0.818 436 A HN 0.461 nan 8.150 nan 0.000 0.443 437 L N -0.465 120.721 121.223 -0.063 0.000 2.046 437 L HA -0.185 4.143 4.340 -0.019 0.000 0.208 437 L C 2.338 179.253 176.870 0.076 0.000 1.077 437 L CA 2.169 56.993 54.840 -0.028 0.000 0.747 437 L CB -0.687 41.352 42.059 -0.033 0.000 0.896 437 L HN 0.365 nan 8.230 nan 0.000 0.432 438 Q N -0.626 119.225 119.800 0.086 0.000 2.124 438 Q HA -0.196 4.132 4.340 -0.019 0.000 0.202 438 Q C 2.275 178.407 176.000 0.220 0.000 0.977 438 Q CA 1.790 57.687 55.803 0.155 0.000 0.850 438 Q CB -0.666 28.150 28.738 0.130 0.000 0.901 438 Q HN 0.514 nan 8.270 nan 0.000 0.429 439 L N 0.567 121.900 121.223 0.183 0.000 2.056 439 L HA -0.041 4.288 4.340 -0.019 0.000 0.207 439 L C 2.119 179.104 176.870 0.192 0.000 1.078 439 L CA 1.993 56.932 54.840 0.166 0.000 0.749 439 L CB -0.828 41.322 42.059 0.152 0.000 0.901 439 L HN 0.103 nan 8.230 nan 0.000 0.433 440 A N -1.324 121.594 122.820 0.163 0.000 1.902 440 A HA -0.285 4.024 4.320 -0.019 0.000 0.217 440 A C 2.317 179.974 177.584 0.122 0.000 1.181 440 A CA 1.844 53.978 52.037 0.162 0.000 0.623 440 A CB -1.238 17.822 19.000 0.101 0.000 0.818 440 A HN 0.617 nan 8.150 nan 0.000 0.443 441 Y N -1.490 118.857 120.300 0.078 0.000 2.145 441 Y HA -0.279 4.260 4.550 -0.019 0.000 0.286 441 Y C 2.281 178.292 175.900 0.185 0.000 1.145 441 Y CA 2.239 60.432 58.100 0.156 0.000 1.148 441 Y CB -0.565 38.008 38.460 0.189 0.000 0.981 441 Y HN 0.425 nan 8.280 nan 0.000 0.507 442 Y N 1.011 121.452 120.300 0.236 0.000 2.165 442 Y HA -0.269 4.270 4.550 -0.019 0.000 0.286 442 Y C 2.500 178.388 175.900 -0.020 0.000 1.155 442 Y CA 2.060 60.238 58.100 0.130 0.000 1.164 442 Y CB -0.402 38.122 38.460 0.107 0.000 0.978 442 Y HN 0.032 nan 8.280 nan 0.000 0.513 443 R N -0.294 120.228 120.500 0.037 0.000 2.127 443 R HA -0.165 4.163 4.340 -0.019 0.000 0.238 443 R C 2.133 178.251 176.300 -0.303 0.000 1.134 443 R CA 1.942 58.017 56.100 -0.042 0.000 0.975 443 R CB -0.372 30.040 30.300 0.187 0.000 0.865 443 R HN 0.431 nan 8.270 nan 0.000 0.447 444 I N -1.450 118.771 120.570 -0.582 0.000 2.339 444 I HA -0.175 3.983 4.170 -0.019 0.000 0.245 444 I C 1.241 176.780 176.117 -0.963 0.000 1.096 444 I CA 1.125 61.850 61.300 -0.957 0.000 1.408 444 I CB -0.017 37.179 38.000 -1.340 0.000 1.092 444 I HN 0.096 nan 8.210 nan 0.000 0.423 445 Y N 0.504 120.489 120.300 -0.525 0.000 2.462 445 Y HA 0.310 4.848 4.550 -0.019 0.000 0.261 445 Y C 1.866 177.549 175.900 -0.362 0.000 1.146 445 Y CA 0.363 58.204 58.100 -0.432 0.000 1.283 445 Y CB 0.228 38.350 38.460 -0.564 0.000 1.090 445 Y HN 0.263 nan 8.280 nan 0.000 0.526 446 G N 0.968 109.486 108.800 -0.470 0.000 2.155 446 G HA2 -0.271 3.677 3.960 -0.019 0.000 0.257 446 G HA3 -0.271 3.677 3.960 -0.019 0.000 0.257 446 G C -0.032 174.540 174.900 -0.548 0.000 0.983 446 G CA 0.599 45.291 45.100 -0.681 0.000 0.676 446 G HN 0.503 nan 8.290 nan 0.000 0.528 447 Q N -1.867 117.817 119.800 -0.193 0.000 2.578 447 Q HA 0.775 5.103 4.340 -0.019 0.000 0.284 447 Q C -0.296 176.017 176.000 0.523 0.000 0.960 447 Q CA -0.536 55.432 55.803 0.276 0.000 0.809 447 Q CB 0.803 29.660 28.738 0.198 0.000 1.462 447 Q HN 1.349 nan 8.270 nan 0.000 0.392 448 A N 0.467 123.566 122.820 0.463 0.000 2.272 448 A HA 0.811 5.119 4.320 -0.019 0.000 0.275 448 A C 0.150 177.866 177.584 0.220 0.000 1.096 448 A CA 0.188 52.437 52.037 0.352 0.000 0.822 448 A CB 0.447 19.579 19.000 0.221 0.000 1.088 448 A HN 1.237 nan 8.150 nan 0.000 0.495 449 C N -1.897 117.395 119.300 -0.013 0.000 3.173 449 C HA 0.832 5.280 4.460 -0.019 0.000 0.310 449 C C 0.324 175.292 174.990 -0.037 0.000 1.306 449 C CA -0.469 58.495 59.018 -0.090 0.000 1.426 449 C CB 0.662 28.165 27.740 -0.395 0.000 1.800 449 C HN 1.863 nan 8.230 nan 0.000 0.470 450 A N 2.221 125.061 122.820 0.033 0.000 2.548 450 A HA 0.515 4.823 4.320 -0.019 0.000 0.247 450 A C 0.430 178.168 177.584 0.256 0.000 1.067 450 A CA 0.806 52.914 52.037 0.119 0.000 0.757 450 A CB -0.455 18.515 19.000 -0.050 0.000 0.996 450 A HN 1.073 nan 8.150 nan 0.000 0.504 451 T N 2.365 117.124 114.554 0.342 0.000 2.861 451 T HA 0.496 4.834 4.350 -0.019 0.000 0.287 451 T C -1.113 173.728 174.700 0.235 0.000 1.003 451 T CA -0.059 62.208 62.100 0.279 0.000 0.977 451 T CB 0.964 69.896 68.868 0.107 0.000 0.996 451 T HN 0.522 nan 8.240 nan 0.000 0.448 452 Y N 2.215 122.424 120.300 -0.151 0.000 2.364 452 Y HA 0.584 5.123 4.550 -0.019 0.000 0.340 452 Y C -0.233 175.519 175.900 -0.247 0.000 0.975 452 Y CA -0.762 57.001 58.100 -0.563 0.000 1.089 452 Y CB 1.192 38.883 38.460 -1.283 0.000 1.192 452 Y HN 0.690 nan 8.280 nan 0.000 0.454 453 E N 4.138 124.013 120.200 -0.543 0.000 2.246 453 E HA 0.386 4.724 4.350 -0.019 0.000 0.266 453 E C -1.329 174.979 176.600 -0.487 0.000 0.880 453 E CA -0.761 55.489 56.400 -0.249 0.000 0.762 453 E CB 1.396 31.048 29.700 -0.079 0.000 1.180 453 E HN 0.661 nan 8.360 nan 0.000 0.416 454 S N 2.110 117.713 115.700 -0.162 0.000 2.549 454 S HA 0.404 4.862 4.470 -0.019 0.000 0.286 454 S C -0.409 174.110 174.600 -0.135 0.000 1.314 454 S CA 0.082 58.218 58.200 -0.107 0.000 1.062 454 S CB 0.955 64.213 63.200 0.097 0.000 0.865 454 S HN 0.568 nan 8.310 nan 0.000 0.498 455 A N 2.726 125.450 122.820 -0.159 0.000 2.359 455 A HA 0.644 4.953 4.320 -0.019 0.000 0.303 455 A C -0.015 177.531 177.584 -0.064 0.000 1.066 455 A CA -0.660 51.311 52.037 -0.110 0.000 0.730 455 A CB 1.363 20.274 19.000 -0.148 0.000 1.211 455 A HN 0.640 nan 8.150 nan 0.000 0.439 456 S N 1.970 117.657 115.700 -0.022 0.000 2.528 456 S HA 0.403 4.862 4.470 -0.019 0.000 0.277 456 S C 0.246 174.855 174.600 0.016 0.000 1.297 456 S CA -0.356 57.844 58.200 -0.001 0.000 1.052 456 S CB 0.129 63.337 63.200 0.013 0.000 0.917 456 S HN 0.616 nan 8.310 nan 0.000 0.492 457 L N 5.644 126.885 121.223 0.029 0.000 3.017 457 L HA 0.314 4.642 4.340 -0.019 0.000 0.255 457 L C 1.589 178.533 176.870 0.123 0.000 1.247 457 L CA 0.265 55.179 54.840 0.122 0.000 1.038 457 L CB -0.404 41.717 42.059 0.103 0.000 1.380 457 L HN 0.755 nan 8.230 nan 0.000 0.548 458 R N 0.236 120.762 120.500 0.044 0.000 2.328 458 R HA -0.091 4.238 4.340 -0.019 0.000 0.207 458 R C 2.073 178.356 176.300 -0.027 0.000 1.056 458 R CA 0.737 56.857 56.100 0.033 0.000 1.016 458 R CB -0.020 30.302 30.300 0.036 0.000 0.872 458 R HN 0.470 nan 8.270 nan 0.000 0.471 459 M N -1.617 117.887 119.600 -0.159 0.000 2.562 459 M HA 0.109 4.577 4.480 -0.019 0.000 0.257 459 M C -0.353 175.647 176.300 -0.500 0.000 1.099 459 M CA 1.179 56.266 55.300 -0.355 0.000 1.099 459 M CB 0.209 32.503 32.600 -0.510 0.000 1.427 459 M HN -0.233 nan 8.290 nan 0.000 0.489 460 F N 0.424 120.384 119.950 0.016 0.000 2.458 460 F HA 0.364 4.879 4.527 -0.019 0.000 0.330 460 F C 0.746 176.573 175.800 0.046 0.000 1.082 460 F CA -1.215 56.798 58.000 0.022 0.000 0.995 460 F CB 0.514 39.516 39.000 0.002 0.000 1.170 460 F HN 0.016 nan 8.300 nan 0.000 0.478 461 H N 4.110 123.254 119.070 0.123 0.000 3.125 461 H HA 0.005 4.550 4.556 -0.019 0.000 0.310 461 H C 0.819 176.174 175.328 0.045 0.000 0.980 461 H CA 0.442 56.513 56.048 0.038 0.000 1.422 461 H CB 0.364 30.129 29.762 0.004 0.000 1.432 461 H HN 0.864 nan 8.280 nan 0.000 0.577 462 L N 2.889 124.007 121.223 -0.176 0.000 4.625 462 L HA -0.246 4.082 4.340 -0.019 0.000 0.428 462 L C 1.039 177.860 176.870 -0.081 0.000 1.129 462 L CA 0.630 55.344 54.840 -0.210 0.000 0.978 462 L CB -1.668 40.130 42.059 -0.435 0.000 2.043 462 L HN 0.816 nan 8.230 nan 0.000 0.847 463 G N -0.238 108.563 108.800 0.002 0.000 2.441 463 G HA2 0.331 4.279 3.960 -0.019 0.000 0.243 463 G HA3 0.331 4.279 3.960 -0.019 0.000 0.243 463 G C 0.766 175.668 174.900 0.004 0.000 1.281 463 G CA -0.276 44.831 45.100 0.011 0.000 0.854 463 G HN 0.091 nan 8.290 nan 0.000 0.560 464 R N 0.313 120.787 120.500 -0.044 0.000 1.835 464 R HA 0.351 4.680 4.340 -0.019 0.000 0.162 464 R C 1.082 177.354 176.300 -0.047 0.000 1.911 464 R CA 1.086 57.187 56.100 0.002 0.000 1.491 464 R CB -0.616 29.734 30.300 0.083 0.000 1.166 464 R HN 0.702 nan 8.270 nan 0.000 0.478 465 T N -1.361 113.077 114.554 -0.194 0.000 2.841 465 T HA 0.575 4.914 4.350 -0.019 0.000 0.296 465 T C -1.072 173.401 174.700 -0.379 0.000 1.166 465 T CA -0.814 61.165 62.100 -0.201 0.000 1.007 465 T CB 2.861 71.689 68.868 -0.067 0.000 1.253 465 T HN 0.064 nan 8.240 nan 0.000 0.511 466 D N -0.811 119.418 120.400 -0.284 0.000 2.610 466 D HA 0.535 5.163 4.640 -0.019 0.000 0.271 466 D C -1.058 175.029 176.300 -0.354 0.000 1.174 466 D CA -0.257 53.556 54.000 -0.311 0.000 0.949 466 D CB 2.568 43.250 40.800 -0.197 0.000 1.430 466 D HN 0.662 nan 8.370 nan 0.000 0.467 467 T N 1.120 115.442 114.554 -0.387 0.000 2.795 467 T HA 0.540 4.878 4.350 -0.019 0.000 0.282 467 T C 0.209 174.589 174.700 -0.534 0.000 0.980 467 T CA -0.371 61.357 62.100 -0.620 0.000 1.012 467 T CB 0.505 69.056 68.868 -0.530 0.000 0.936 467 T HN 0.161 nan 8.240 nan 0.000 0.457 468 I N 3.424 123.583 120.570 -0.685 0.000 2.339 468 I HA 0.361 4.519 4.170 -0.019 0.000 0.290 468 I C 0.490 176.122 176.117 -0.809 0.000 0.994 468 I CA -0.706 60.090 61.300 -0.840 0.000 1.191 468 I CB 1.214 38.835 38.000 -0.631 0.000 1.343 468 I HN 0.335 nan 8.210 nan 0.000 0.458 469 R N 4.355 124.235 120.500 -1.034 0.000 2.215 469 R HA 0.269 4.598 4.340 -0.019 0.000 0.337 469 R C 0.734 176.871 176.300 -0.272 0.000 1.010 469 R CA -0.250 55.620 56.100 -0.383 0.000 0.871 469 R CB 1.137 31.439 30.300 0.005 0.000 1.134 469 R HN 0.626 nan 8.270 nan 0.000 0.477 470 S N 1.613 117.273 115.700 -0.067 0.000 2.428 470 S HA -0.062 4.396 4.470 -0.019 0.000 0.230 470 S C 0.990 175.665 174.600 0.126 0.000 1.014 470 S CA 0.542 58.809 58.200 0.113 0.000 0.957 470 S CB 0.273 63.549 63.200 0.126 0.000 0.784 470 S HN 0.680 nan 8.310 nan 0.000 0.499 471 A N 2.464 125.353 122.820 0.115 0.000 2.310 471 A HA 0.593 4.902 4.320 -0.019 0.000 0.300 471 A C 0.529 178.211 177.584 0.164 0.000 1.269 471 A CA -0.525 51.590 52.037 0.129 0.000 0.909 471 A CB 0.101 19.172 19.000 0.118 0.000 1.144 471 A HN 0.366 nan 8.150 nan 0.000 0.540 472 S N 1.892 117.688 115.700 0.159 0.000 2.811 472 S HA 0.614 5.072 4.470 -0.019 0.000 0.311 472 S C 0.781 175.457 174.600 0.127 0.000 1.152 472 S CA -0.610 57.696 58.200 0.177 0.000 0.864 472 S CB 0.443 63.766 63.200 0.206 0.000 1.226 472 S HN 0.396 nan 8.310 nan 0.000 0.541 473 I N 0.998 121.636 120.570 0.113 0.000 2.315 473 I HA -0.123 4.035 4.170 -0.019 0.000 0.248 473 I C 1.584 177.739 176.117 0.063 0.000 1.117 473 I CA 1.273 62.612 61.300 0.065 0.000 1.404 473 I CB -0.348 37.680 38.000 0.047 0.000 1.071 473 I HN 0.636 nan 8.210 nan 0.000 0.419 474 D N 0.297 120.748 120.400 0.085 0.000 2.162 474 D HA -0.112 4.516 4.640 -0.019 0.000 0.203 474 D C 2.380 178.745 176.300 0.107 0.000 0.967 474 D CA 1.685 55.735 54.000 0.083 0.000 0.840 474 D CB -0.068 40.780 40.800 0.080 0.000 0.972 474 D HN 0.346 nan 8.370 nan 0.000 0.482 475 S N 0.774 116.544 115.700 0.116 0.000 2.383 475 S HA -0.124 4.335 4.470 -0.019 0.000 0.227 475 S C 2.045 176.718 174.600 0.122 0.000 1.026 475 S CA 0.406 58.696 58.200 0.149 0.000 0.981 475 S CB -0.397 62.882 63.200 0.131 0.000 0.818 475 S HN 0.137 nan 8.310 nan 0.000 0.472 476 L N 2.172 123.428 121.223 0.054 0.000 2.056 476 L HA 0.278 4.607 4.340 -0.019 0.000 0.207 476 L C 2.711 179.519 176.870 -0.103 0.000 1.078 476 L CA 1.680 56.492 54.840 -0.046 0.000 0.749 476 L CB -1.349 40.703 42.059 -0.012 0.000 0.901 476 L HN 0.346 nan 8.230 nan 0.000 0.433 477 A N -0.805 122.003 122.820 -0.020 0.000 1.940 477 A HA -0.272 4.036 4.320 -0.019 0.000 0.219 477 A C 2.255 179.828 177.584 -0.018 0.000 1.176 477 A CA 1.947 53.971 52.037 -0.023 0.000 0.631 477 A CB -1.172 17.840 19.000 0.019 0.000 0.814 477 A HN 0.587 nan 8.150 nan 0.000 0.446 478 F N 1.360 121.257 119.950 -0.089 0.000 2.113 478 F HA -0.146 4.369 4.527 -0.019 0.000 0.297 478 F C 2.271 177.999 175.800 -0.120 0.000 1.103 478 F CA 2.069 60.018 58.000 -0.084 0.000 1.248 478 F CB -0.609 38.352 39.000 -0.066 0.000 0.999 478 F HN 0.118 nan 8.300 nan 0.000 0.475 479 V N -0.974 118.617 119.914 -0.539 0.000 2.490 479 V HA -0.217 3.892 4.120 -0.019 0.000 0.250 479 V C 2.207 177.902 176.094 -0.665 0.000 1.061 479 V CA 2.054 63.932 62.300 -0.703 0.000 1.064 479 V CB -1.105 30.428 31.823 -0.483 0.000 0.670 479 V HN 0.360 nan 8.190 nan 0.000 0.461 480 K N 1.270 121.319 120.400 -0.586 0.000 2.031 480 K HA 0.077 4.386 4.320 -0.019 0.000 0.205 480 K C 2.384 178.855 176.600 -0.216 0.000 1.049 480 K CA 1.361 57.420 56.287 -0.380 0.000 0.939 480 K CB -0.798 31.547 32.500 -0.258 0.000 0.717 480 K HN 0.572 nan 8.250 nan 0.000 0.438 481 G N 1.451 110.125 108.800 -0.210 0.000 2.432 481 G HA2 -0.280 3.669 3.960 -0.019 0.000 0.219 481 G HA3 -0.280 3.669 3.960 -0.019 0.000 0.219 481 G C 1.472 176.274 174.900 -0.162 0.000 1.135 481 G CA 0.783 45.802 45.100 -0.136 0.000 0.767 481 G HN 0.148 nan 8.290 nan 0.000 0.550 482 M N 1.470 120.877 119.600 -0.322 0.000 2.149 482 M HA 0.065 4.534 4.480 -0.019 0.000 0.261 482 M C 2.048 178.264 176.300 -0.140 0.000 1.064 482 M CA 1.712 56.834 55.300 -0.297 0.000 1.102 482 M CB -0.334 31.912 32.600 -0.589 0.000 1.369 482 M HN 0.083 nan 8.290 nan 0.000 0.408 483 G N -0.760 107.974 108.800 -0.109 0.000 3.605 483 G HA2 0.137 4.086 3.960 -0.019 0.000 0.277 483 G HA3 0.137 4.086 3.960 -0.019 0.000 0.277 483 G C -0.922 173.971 174.900 -0.011 0.000 1.093 483 G CA -0.222 44.860 45.100 -0.029 0.000 0.821 483 G HN 0.412 nan 8.290 nan 0.000 0.532 484 D N -0.573 119.810 120.400 -0.029 0.000 2.425 484 D HA 0.403 5.031 4.640 -0.019 0.000 0.240 484 D C 1.298 177.592 176.300 -0.010 0.000 1.080 484 D CA -0.460 53.532 54.000 -0.014 0.000 0.836 484 D CB 1.735 42.522 40.800 -0.021 0.000 1.125 484 D HN -0.122 nan 8.370 nan 0.000 0.525 485 S N 1.338 117.037 115.700 -0.002 0.000 2.419 485 S HA -0.147 4.312 4.470 -0.019 0.000 0.233 485 S C 1.869 176.470 174.600 0.001 0.000 1.016 485 S CA 1.546 59.747 58.200 0.002 0.000 0.974 485 S CB -0.251 62.951 63.200 0.005 0.000 0.786 485 S HN 0.791 nan 8.310 nan 0.000 0.492 486 T N -0.430 114.123 114.554 -0.001 0.000 3.163 486 T HA 0.078 4.417 4.350 -0.019 0.000 0.260 486 T C 0.374 175.072 174.700 -0.004 0.000 1.156 486 T CA 0.183 62.283 62.100 -0.001 0.000 1.072 486 T CB -0.344 68.523 68.868 -0.001 0.000 0.937 486 T HN 0.054 nan 8.240 nan 0.000 0.528 487 V N 3.253 123.163 119.914 -0.007 0.000 2.313 487 V HA 0.387 4.496 4.120 -0.019 0.000 0.278 487 V C -2.381 173.707 176.094 -0.010 0.000 1.017 487 V CA -2.338 59.956 62.300 -0.010 0.000 0.823 487 V CB 1.263 33.076 31.823 -0.017 0.000 1.010 487 V HN 0.193 nan 8.190 nan 0.000 0.443 488 P HA 0.080 nan 4.420 nan 0.000 0.268 488 P C 1.010 178.285 177.300 -0.042 0.000 1.208 488 P CA 0.061 63.153 63.100 -0.014 0.000 0.777 488 P CB 0.739 32.429 31.700 -0.015 0.000 0.875 489 E N 1.145 121.318 120.200 -0.044 0.000 2.130 489 E HA -0.307 4.031 4.350 -0.019 0.000 0.196 489 E C 1.640 178.046 176.600 -0.323 0.000 0.998 489 E CA 1.302 57.637 56.400 -0.108 0.000 0.806 489 E CB -0.070 29.659 29.700 0.049 0.000 0.738 489 E HN 0.460 nan 8.360 nan 0.000 0.459 490 Q N 1.071 120.654 119.800 -0.362 0.000 2.124 490 Q HA -0.223 4.106 4.340 -0.019 0.000 0.202 490 Q C 1.945 177.861 176.000 -0.141 0.000 0.977 490 Q CA 1.740 57.350 55.803 -0.323 0.000 0.850 490 Q CB -0.118 28.518 28.738 -0.169 0.000 0.901 490 Q HN 0.166 nan 8.270 nan 0.000 0.429 491 Q N -0.191 119.560 119.800 -0.082 0.000 2.172 491 Q HA -0.075 4.254 4.340 -0.019 0.000 0.200 491 Q C 1.576 177.578 176.000 0.004 0.000 0.964 491 Q CA 1.481 57.267 55.803 -0.028 0.000 0.855 491 Q CB 0.084 28.812 28.738 -0.016 0.000 0.918 491 Q HN 0.318 nan 8.270 nan 0.000 0.444 492 K N -0.699 119.702 120.400 0.002 0.000 2.057 492 K HA -0.116 4.193 4.320 -0.019 0.000 0.207 492 K C 1.994 178.675 176.600 0.135 0.000 1.049 492 K CA 1.489 57.827 56.287 0.085 0.000 0.931 492 K CB -0.146 32.394 32.500 0.067 0.000 0.714 492 K HN 0.080 nan 8.250 nan 0.000 0.440 493 V N 2.006 121.940 119.914 0.033 0.000 2.295 493 V HA -0.252 3.856 4.120 -0.019 0.000 0.246 493 V C 2.024 178.127 176.094 0.014 0.000 1.049 493 V CA 1.829 64.146 62.300 0.028 0.000 1.024 493 V CB -0.458 31.354 31.823 -0.019 0.000 0.648 493 V HN 0.345 nan 8.190 nan 0.000 0.447 494 E N 0.029 120.233 120.200 0.007 0.000 2.085 494 E HA -0.217 4.121 4.350 -0.019 0.000 0.194 494 E C 2.225 178.834 176.600 0.016 0.000 0.994 494 E CA 1.374 57.778 56.400 0.007 0.000 0.801 494 E CB -0.254 29.450 29.700 0.006 0.000 0.743 494 E HN 0.500 nan 8.360 nan 0.000 0.453 495 L N 0.760 122.020 121.223 0.061 0.000 2.083 495 L HA -0.178 4.151 4.340 -0.019 0.000 0.209 495 L C 2.587 179.463 176.870 0.009 0.000 1.083 495 L CA 0.669 55.574 54.840 0.108 0.000 0.752 495 L CB -0.331 41.863 42.059 0.225 0.000 0.899 495 L HN 0.211 nan 8.230 nan 0.000 0.433 496 L N -0.191 120.970 121.223 -0.104 0.000 1.994 496 L HA -0.244 4.085 4.340 -0.019 0.000 0.208 496 L C 2.922 179.577 176.870 -0.359 0.000 1.071 496 L CA 1.497 55.962 54.840 -0.625 0.000 0.745 496 L CB -0.166 41.624 42.059 -0.449 0.000 0.892 496 L HN 0.161 nan 8.230 nan 0.000 0.431 497 R N -0.323 120.085 120.500 -0.155 0.000 2.096 497 R HA -0.211 4.117 4.340 -0.019 0.000 0.235 497 R C 2.367 178.632 176.300 -0.059 0.000 1.127 497 R CA 1.682 57.732 56.100 -0.083 0.000 0.968 497 R CB -0.275 30.006 30.300 -0.033 0.000 0.861 497 R HN 0.345 nan 8.270 nan 0.000 0.440 498 K N 0.574 120.948 120.400 -0.044 0.000 2.057 498 K HA -0.092 4.216 4.320 -0.019 0.000 0.206 498 K C 2.039 178.635 176.600 -0.005 0.000 1.050 498 K CA 1.303 57.586 56.287 -0.008 0.000 0.935 498 K CB -0.039 32.469 32.500 0.013 0.000 0.715 498 K HN 0.156 nan 8.250 nan 0.000 0.439 499 A N 0.499 123.287 122.820 -0.053 0.000 1.898 499 A HA -0.089 4.220 4.320 -0.019 0.000 0.216 499 A C 2.211 179.780 177.584 -0.026 0.000 1.181 499 A CA 1.422 53.437 52.037 -0.036 0.000 0.620 499 A CB -0.600 18.333 19.000 -0.110 0.000 0.819 499 A HN 0.156 nan 8.150 nan 0.000 0.442 500 V N 0.130 119.986 119.914 -0.097 0.000 2.287 500 V HA -0.273 3.835 4.120 -0.019 0.000 0.248 500 V C 2.767 178.895 176.094 0.057 0.000 1.053 500 V CA 2.112 64.388 62.300 -0.039 0.000 1.027 500 V CB -0.713 31.074 31.823 -0.060 0.000 0.646 500 V HN 0.545 nan 8.190 nan 0.000 0.447 501 Q N -0.327 119.496 119.800 0.039 0.000 2.124 501 Q HA -0.113 4.216 4.340 -0.019 0.000 0.202 501 Q C 2.429 178.482 176.000 0.089 0.000 0.977 501 Q CA 1.815 57.655 55.803 0.061 0.000 0.850 501 Q CB -0.670 28.092 28.738 0.039 0.000 0.901 501 Q HN 0.658 nan 8.270 nan 0.000 0.429 502 A N 0.635 123.513 122.820 0.097 0.000 1.972 502 A HA -0.218 4.090 4.320 -0.019 0.000 0.219 502 A C 1.995 179.679 177.584 0.168 0.000 1.169 502 A CA 1.626 53.737 52.037 0.123 0.000 0.635 502 A CB -0.746 18.330 19.000 0.126 0.000 0.810 502 A HN 0.427 nan 8.150 nan 0.000 0.446 503 H N -0.572 118.547 119.070 0.081 0.000 2.428 503 H HA -0.041 4.504 4.556 -0.019 0.000 0.296 503 H C 2.257 177.634 175.328 0.081 0.000 1.062 503 H CA 1.708 57.802 56.048 0.077 0.000 1.350 503 H CB 0.051 29.830 29.762 0.028 0.000 1.403 503 H HN 0.403 nan 8.280 nan 0.000 0.533 504 R N 1.018 121.626 120.500 0.179 0.000 2.090 504 R HA 0.020 4.349 4.340 -0.019 0.000 0.228 504 R C 2.372 178.711 176.300 0.065 0.000 1.110 504 R CA 1.492 57.666 56.100 0.122 0.000 0.973 504 R CB -0.780 29.587 30.300 0.112 0.000 0.869 504 R HN 0.292 nan 8.270 nan 0.000 0.440 505 A N -0.755 122.106 122.820 0.069 0.000 1.898 505 A HA -0.159 4.150 4.320 -0.019 0.000 0.216 505 A C 2.203 179.807 177.584 0.032 0.000 1.181 505 A CA 1.334 53.400 52.037 0.047 0.000 0.620 505 A CB -0.928 18.101 19.000 0.049 0.000 0.819 505 A HN 0.570 nan 8.150 nan 0.000 0.442 506 Y N 0.802 121.029 120.300 -0.122 0.000 2.224 506 Y HA -0.205 4.334 4.550 -0.019 0.000 0.289 506 Y C 2.744 178.519 175.900 -0.209 0.000 1.146 506 Y CA 1.718 59.700 58.100 -0.196 0.000 1.182 506 Y CB -0.069 38.252 38.460 -0.232 0.000 0.983 506 Y HN 0.357 nan 8.280 nan 0.000 0.524 507 T N -0.056 114.500 114.554 0.003 0.000 2.708 507 T HA -0.198 4.140 4.350 -0.019 0.000 0.266 507 T C 1.305 176.014 174.700 0.015 0.000 1.037 507 T CA 1.600 63.673 62.100 -0.045 0.000 1.146 507 T CB -0.370 68.463 68.868 -0.058 0.000 0.865 507 T HN 0.405 nan 8.240 nan 0.000 0.435 508 D N 0.834 121.249 120.400 0.026 0.000 2.144 508 D HA -0.051 4.578 4.640 -0.019 0.000 0.199 508 D C 2.407 178.728 176.300 0.035 0.000 0.984 508 D CA 0.889 54.909 54.000 0.033 0.000 0.834 508 D CB -0.121 40.700 40.800 0.035 0.000 0.955 508 D HN 0.361 nan 8.370 nan 0.000 0.465 509 R N 0.702 121.208 120.500 0.010 0.000 2.066 509 R HA -0.009 4.320 4.340 -0.019 0.000 0.232 509 R C 2.416 178.732 176.300 0.026 0.000 1.131 509 R CA 1.072 57.166 56.100 -0.010 0.000 0.955 509 R CB -0.301 29.904 30.300 -0.158 0.000 0.851 509 R HN 0.059 nan 8.270 nan 0.000 0.432 510 A N 1.361 124.204 122.820 0.037 0.000 1.883 510 A HA -0.187 4.121 4.320 -0.019 0.000 0.217 510 A C 2.057 179.677 177.584 0.059 0.000 1.186 510 A CA 1.466 53.527 52.037 0.040 0.000 0.624 510 A CB -0.469 18.544 19.000 0.023 0.000 0.822 510 A HN 0.139 nan 8.150 nan 0.000 0.444 511 I N -0.477 120.128 120.570 0.058 0.000 2.454 511 I HA -0.165 3.993 4.170 -0.019 0.000 0.254 511 I C 2.086 178.296 176.117 0.155 0.000 1.156 511 I CA 1.259 62.603 61.300 0.074 0.000 1.433 511 I CB -0.224 37.799 38.000 0.039 0.000 1.082 511 I HN 0.227 nan 8.210 nan 0.000 0.432 512 R N -0.128 120.484 120.500 0.187 0.000 2.466 512 R HA 0.320 4.649 4.340 -0.019 0.000 0.279 512 R C 1.129 177.687 176.300 0.430 0.000 0.976 512 R CA 0.552 56.839 56.100 0.312 0.000 1.081 512 R CB 0.180 30.590 30.300 0.183 0.000 1.215 512 R HN 0.322 nan 8.270 nan 0.000 0.546 513 G N 1.604 110.582 108.800 0.297 0.000 2.160 513 G HA2 -0.300 3.649 3.960 -0.019 0.000 0.251 513 G HA3 -0.300 3.649 3.960 -0.019 0.000 0.251 513 G C 0.333 175.265 174.900 0.054 0.000 1.008 513 G CA 0.256 45.384 45.100 0.047 0.000 0.724 513 G HN 0.479 nan 8.290 nan 0.000 0.514 514 E N -0.375 119.878 120.200 0.088 0.000 2.501 514 E HA 0.499 4.838 4.350 -0.019 0.000 0.201 514 E C 1.762 178.408 176.600 0.076 0.000 1.016 514 E CA 0.210 56.672 56.400 0.102 0.000 0.920 514 E CB 0.475 30.235 29.700 0.100 0.000 1.023 514 E HN 0.720 nan 8.360 nan 0.000 0.474 515 A N 0.618 123.463 122.820 0.043 0.000 2.267 515 A HA 0.285 4.593 4.320 -0.019 0.000 0.276 515 A C 0.541 178.243 177.584 0.197 0.000 1.336 515 A CA 0.048 52.088 52.037 0.004 0.000 0.815 515 A CB 0.023 19.015 19.000 -0.014 0.000 1.256 515 A HN 0.332 nan 8.150 nan 0.000 0.512 516 F N -3.696 116.376 119.950 0.203 0.000 2.880 516 F HA 0.313 4.828 4.527 -0.019 0.000 0.346 516 F C 0.737 176.689 175.800 0.253 0.000 1.054 516 F CA 0.238 58.403 58.000 0.275 0.000 1.151 516 F CB -0.443 38.732 39.000 0.293 0.000 1.066 516 F HN 0.439 nan 8.300 nan 0.000 0.566 517 D N 1.543 121.833 120.400 -0.182 0.000 2.092 517 D HA -0.127 4.502 4.640 -0.019 0.000 0.193 517 D C 2.070 178.485 176.300 0.192 0.000 0.994 517 D CA 1.863 55.892 54.000 0.049 0.000 0.828 517 D CB 0.006 40.761 40.800 -0.075 0.000 0.963 517 D HN -0.006 nan 8.370 nan 0.000 0.450 518 R N -0.204 120.361 120.500 0.108 0.000 2.120 518 R HA -0.123 4.205 4.340 -0.019 0.000 0.234 518 R C 2.144 178.713 176.300 0.448 0.000 1.123 518 R CA 1.020 57.206 56.100 0.144 0.000 0.975 518 R CB -1.119 29.145 30.300 -0.061 0.000 0.866 518 R HN 0.576 nan 8.270 nan 0.000 0.446 519 H N 0.469 119.753 119.070 0.358 0.000 2.293 519 H HA 0.001 4.546 4.556 -0.019 0.000 0.300 519 H C 2.106 177.615 175.328 0.302 0.000 1.082 519 H CA 1.281 57.558 56.048 0.383 0.000 1.308 519 H CB 0.119 30.060 29.762 0.298 0.000 1.375 519 H HN 0.051 nan 8.280 nan 0.000 0.495 520 L N 0.347 121.739 121.223 0.282 0.000 2.042 520 L HA -0.200 4.129 4.340 -0.019 0.000 0.210 520 L C 2.743 179.686 176.870 0.121 0.000 1.076 520 L CA 0.707 55.653 54.840 0.175 0.000 0.749 520 L CB -0.336 41.867 42.059 0.241 0.000 0.893 520 L HN 0.343 nan 8.230 nan 0.000 0.432 521 L N 0.265 121.594 121.223 0.177 0.000 2.046 521 L HA -0.087 4.241 4.340 -0.019 0.000 0.208 521 L C 2.348 179.196 176.870 -0.038 0.000 1.077 521 L CA 2.182 57.051 54.840 0.048 0.000 0.747 521 L CB -1.073 41.087 42.059 0.169 0.000 0.896 521 L HN 0.119 nan 8.230 nan 0.000 0.432 522 G N -0.402 108.544 108.800 0.243 0.000 2.422 522 G HA2 -0.237 3.711 3.960 -0.019 0.000 0.218 522 G HA3 -0.237 3.711 3.960 -0.019 0.000 0.218 522 G C 1.602 176.540 174.900 0.064 0.000 1.146 522 G CA 1.115 46.416 45.100 0.334 0.000 0.769 522 G HN 0.454 nan 8.290 nan 0.000 0.547 523 L N -0.041 121.235 121.223 0.090 0.000 2.083 523 L HA -0.026 4.303 4.340 -0.019 0.000 0.209 523 L C 2.801 179.628 176.870 -0.072 0.000 1.083 523 L CA 1.455 56.367 54.840 0.121 0.000 0.752 523 L CB -0.284 41.971 42.059 0.326 0.000 0.899 523 L HN 0.205 nan 8.230 nan 0.000 0.433 524 K N 0.648 120.724 120.400 -0.539 0.000 2.025 524 K HA -0.153 4.155 4.320 -0.019 0.000 0.207 524 K C 2.158 178.464 176.600 -0.489 0.000 1.049 524 K CA 1.236 56.978 56.287 -0.909 0.000 0.933 524 K CB -0.063 31.615 32.500 -1.370 0.000 0.714 524 K HN 0.219 nan 8.250 nan 0.000 0.438 525 L N 0.797 121.684 121.223 -0.560 0.000 2.083 525 L HA -0.198 4.130 4.340 -0.019 0.000 0.209 525 L C 2.732 179.350 176.870 -0.420 0.000 1.083 525 L CA 1.142 55.563 54.840 -0.698 0.000 0.752 525 L CB -0.461 40.699 42.059 -1.499 0.000 0.899 525 L HN 0.312 nan 8.230 nan 0.000 0.433 526 Q N 0.412 120.069 119.800 -0.239 0.000 2.084 526 Q HA -0.172 4.156 4.340 -0.019 0.000 0.202 526 Q C 2.213 178.248 176.000 0.058 0.000 0.978 526 Q CA 2.021 57.886 55.803 0.103 0.000 0.844 526 Q CB -0.222 28.630 28.738 0.190 0.000 0.898 526 Q HN 0.435 nan 8.270 nan 0.000 0.426 527 A N 0.223 123.049 122.820 0.010 0.000 1.877 527 A HA -0.161 4.147 4.320 -0.019 0.000 0.216 527 A C 2.132 179.724 177.584 0.014 0.000 1.186 527 A CA 1.583 53.643 52.037 0.038 0.000 0.620 527 A CB -0.790 18.254 19.000 0.073 0.000 0.822 527 A HN 0.485 nan 8.150 nan 0.000 0.443 528 I N -0.698 119.850 120.570 -0.037 0.000 2.226 528 I HA -0.257 3.902 4.170 -0.019 0.000 0.245 528 I C 2.597 178.724 176.117 0.016 0.000 1.100 528 I CA 1.877 63.159 61.300 -0.030 0.000 1.374 528 I CB -0.338 37.611 38.000 -0.085 0.000 1.057 528 I HN 0.554 nan 8.210 nan 0.000 0.413 529 E N 0.919 121.148 120.200 0.049 0.000 2.152 529 E HA -0.227 4.111 4.350 -0.019 0.000 0.192 529 E C 1.232 177.884 176.600 0.086 0.000 0.983 529 E CA 1.076 57.541 56.400 0.108 0.000 0.818 529 E CB 0.126 29.959 29.700 0.223 0.000 0.758 529 E HN 0.376 nan 8.360 nan 0.000 0.467 530 D N 0.354 120.799 120.400 0.075 0.000 2.378 530 D HA -0.017 4.611 4.640 -0.019 0.000 0.227 530 D C 0.581 176.906 176.300 0.041 0.000 1.012 530 D CA 0.387 54.422 54.000 0.057 0.000 0.905 530 D CB 0.125 40.956 40.800 0.053 0.000 0.895 530 D HN 0.253 nan 8.370 nan 0.000 0.532 531 L N -0.752 120.493 121.223 0.038 0.000 3.717 531 L HA -0.202 4.127 4.340 -0.019 0.000 0.411 531 L C 0.032 176.918 176.870 0.025 0.000 1.233 531 L CA -0.124 54.733 54.840 0.028 0.000 0.917 531 L CB -2.220 39.855 42.059 0.026 0.000 1.902 531 L HN -0.053 nan 8.230 nan 0.000 0.894 532 V N -3.841 116.091 119.914 0.029 0.000 2.850 532 V HA 0.723 4.832 4.120 -0.019 0.000 0.315 532 V C 0.892 177.006 176.094 0.034 0.000 1.064 532 V CA -0.257 62.061 62.300 0.030 0.000 0.979 532 V CB 1.847 33.691 31.823 0.035 0.000 1.039 532 V HN 0.244 nan 8.190 nan 0.000 0.452 533 S N 2.450 118.170 115.700 0.034 0.000 2.560 533 S HA 0.231 4.689 4.470 -0.019 0.000 0.284 533 S C 0.187 174.822 174.600 0.057 0.000 1.327 533 S CA -0.389 57.833 58.200 0.036 0.000 1.055 533 S CB -0.096 63.122 63.200 0.031 0.000 0.868 533 S HN 0.957 nan 8.310 nan 0.000 0.506 534 M N 7.025 126.659 119.600 0.056 0.000 2.474 534 M HA 0.253 4.722 4.480 -0.019 0.000 0.352 534 M C -2.319 174.049 176.300 0.113 0.000 1.690 534 M CA -1.421 53.933 55.300 0.090 0.000 1.112 534 M CB -0.208 32.432 32.600 0.067 0.000 2.062 534 M HN 0.357 nan 8.290 nan 0.000 0.461 535 P HA -0.017 nan 4.420 nan 0.000 0.266 535 P C -0.038 177.233 177.300 -0.047 0.000 1.193 535 P CA 0.014 63.169 63.100 0.091 0.000 0.770 535 P CB 0.523 32.319 31.700 0.161 0.000 0.836 536 D N 1.825 122.176 120.400 -0.081 0.000 2.182 536 D HA -0.155 4.474 4.640 -0.019 0.000 0.201 536 D C 1.712 177.860 176.300 -0.254 0.000 0.986 536 D CA 1.044 54.978 54.000 -0.111 0.000 0.847 536 D CB -0.264 40.490 40.800 -0.077 0.000 0.942 536 D HN 0.400 nan 8.370 nan 0.000 0.467 537 I N -0.112 120.145 120.570 -0.522 0.000 2.335 537 I HA -0.282 3.877 4.170 -0.019 0.000 0.251 537 I C 1.474 177.100 176.117 -0.817 0.000 1.129 537 I CA 1.169 61.987 61.300 -0.804 0.000 1.402 537 I CB -0.037 37.100 38.000 -1.439 0.000 1.069 537 I HN -0.119 nan 8.210 nan 0.000 0.424 538 F N -0.766 118.924 119.950 -0.432 0.000 2.743 538 F HA 0.039 4.555 4.527 -0.019 0.000 0.297 538 F C 1.967 177.712 175.800 -0.091 0.000 1.131 538 F CA -0.080 57.657 58.000 -0.439 0.000 1.426 538 F CB -0.020 38.732 39.000 -0.412 0.000 1.116 538 F HN 0.033 nan 8.300 nan 0.000 0.583 539 M N -0.672 118.958 119.600 0.050 0.000 2.465 539 M HA 0.074 4.542 4.480 -0.019 0.000 0.249 539 M C 0.089 176.439 176.300 0.082 0.000 1.130 539 M CA 0.353 55.702 55.300 0.081 0.000 1.067 539 M CB -0.843 31.786 32.600 0.049 0.000 1.394 539 M HN -0.098 nan 8.290 nan 0.000 0.483 540 D N 1.242 121.675 120.400 0.054 0.000 2.472 540 D HA -0.013 4.616 4.640 -0.019 0.000 0.237 540 D C 0.904 177.284 176.300 0.133 0.000 1.141 540 D CA 0.670 54.717 54.000 0.077 0.000 0.875 540 D CB 1.249 42.051 40.800 0.003 0.000 1.192 540 D HN 0.081 nan 8.370 nan 0.000 0.450 541 T N 1.983 116.605 114.554 0.114 0.000 2.720 541 T HA -0.146 4.193 4.350 -0.019 0.000 0.268 541 T C 1.974 176.732 174.700 0.096 0.000 1.037 541 T CA 1.585 63.738 62.100 0.088 0.000 1.144 541 T CB -0.171 68.738 68.868 0.068 0.000 0.864 541 T HN 0.380 nan 8.240 nan 0.000 0.444 542 S N 0.238 116.006 115.700 0.113 0.000 2.383 542 S HA -0.125 4.333 4.470 -0.019 0.000 0.229 542 S C 1.675 176.393 174.600 0.196 0.000 1.030 542 S CA 1.103 59.373 58.200 0.117 0.000 1.002 542 S CB -0.500 62.734 63.200 0.057 0.000 0.829 542 S HN 0.620 nan 8.310 nan 0.000 0.467 543 Y N 1.811 122.198 120.300 0.145 0.000 2.200 543 Y HA -0.101 4.438 4.550 -0.019 0.000 0.290 543 Y C 2.443 178.404 175.900 0.101 0.000 1.137 543 Y CA 1.037 59.242 58.100 0.175 0.000 1.163 543 Y CB -0.421 38.107 38.460 0.113 0.000 0.988 543 Y HN 0.259 nan 8.280 nan 0.000 0.518 544 A N 0.118 122.966 122.820 0.047 0.000 1.969 544 A HA -0.138 4.170 4.320 -0.019 0.000 0.218 544 A C 2.172 179.700 177.584 -0.093 0.000 1.169 544 A CA 1.686 53.698 52.037 -0.043 0.000 0.635 544 A CB -0.932 18.081 19.000 0.021 0.000 0.810 544 A HN 0.584 nan 8.150 nan 0.000 0.445 545 I N -0.418 120.120 120.570 -0.053 0.000 2.202 545 I HA -0.235 3.923 4.170 -0.019 0.000 0.242 545 I C 2.964 179.018 176.117 -0.105 0.000 1.091 545 I CA 1.016 62.283 61.300 -0.055 0.000 1.368 545 I CB -0.373 37.625 38.000 -0.003 0.000 1.058 545 I HN 0.348 nan 8.210 nan 0.000 0.410 546 A N 0.539 123.299 122.820 -0.099 0.000 1.972 546 A HA -0.177 4.131 4.320 -0.019 0.000 0.219 546 A C 2.125 179.406 177.584 -0.505 0.000 1.169 546 A CA 1.458 53.418 52.037 -0.127 0.000 0.635 546 A CB -0.312 18.767 19.000 0.133 0.000 0.810 546 A HN 0.329 nan 8.150 nan 0.000 0.446 547 M N -0.549 118.711 119.600 -0.567 0.000 2.495 547 M HA 0.094 4.563 4.480 -0.019 0.000 0.237 547 M C 0.543 176.427 176.300 -0.693 0.000 1.131 547 M CA 0.368 55.249 55.300 -0.698 0.000 1.032 547 M CB -0.846 31.461 32.600 -0.488 0.000 1.513 547 M HN 0.459 nan 8.290 nan 0.000 0.488 548 H N 0.519 119.214 119.070 -0.624 0.000 2.818 548 H HA 0.224 4.769 4.556 -0.019 0.000 0.269 548 H C -1.285 173.813 175.328 -0.384 0.000 1.277 548 H CA -0.428 55.402 56.048 -0.363 0.000 1.290 548 H CB 0.005 29.649 29.762 -0.195 0.000 1.479 548 H HN -0.046 nan 8.280 nan 0.000 0.507 549 F N 4.744 124.598 119.950 -0.159 0.000 2.462 549 F HA 0.130 4.645 4.527 -0.019 0.000 0.354 549 F C 1.677 177.420 175.800 -0.096 0.000 1.192 549 F CA -0.479 57.479 58.000 -0.070 0.000 1.173 549 F CB 0.157 39.144 39.000 -0.020 0.000 1.402 549 F HN 0.509 nan 8.300 nan 0.000 0.595 550 N N 2.305 121.056 118.700 0.086 0.000 2.289 550 N HA -0.100 4.629 4.740 -0.019 0.000 0.184 550 N C 0.226 175.833 175.510 0.162 0.000 1.016 550 N CA 0.997 54.098 53.050 0.085 0.000 0.872 550 N CB 0.343 38.876 38.487 0.076 0.000 0.973 550 N HN 0.383 nan 8.380 nan 0.000 0.433 551 L N 0.500 121.817 121.223 0.158 0.000 2.319 551 L HA 0.267 4.596 4.340 -0.019 0.000 0.281 551 L C -0.398 176.617 176.870 0.242 0.000 1.005 551 L CA -0.378 54.580 54.840 0.196 0.000 0.828 551 L CB 2.087 44.190 42.059 0.073 0.000 1.227 551 L HN -0.188 nan 8.230 nan 0.000 0.415 552 S N 2.187 118.049 115.700 0.270 0.000 2.596 552 S HA 0.745 5.203 4.470 -0.019 0.000 0.318 552 S C -0.388 174.471 174.600 0.433 0.000 1.097 552 S CA -0.393 57.960 58.200 0.255 0.000 1.080 552 S CB 1.080 64.373 63.200 0.155 0.000 0.991 552 S HN 0.709 nan 8.310 nan 0.000 0.471 553 T N 0.888 115.693 114.554 0.418 0.000 2.887 553 T HA 0.901 5.239 4.350 -0.019 0.000 0.292 553 T C -0.625 174.315 174.700 0.401 0.000 1.087 553 T CA -0.532 61.854 62.100 0.476 0.000 1.009 553 T CB 1.552 70.652 68.868 0.387 0.000 1.203 553 T HN 1.150 nan 8.240 nan 0.000 0.518 554 S N -0.021 115.865 115.700 0.310 0.000 2.565 554 S HA 0.490 4.948 4.470 -0.019 0.000 0.274 554 S C -1.658 172.766 174.600 -0.293 0.000 1.144 554 S CA -0.964 57.295 58.200 0.098 0.000 0.849 554 S CB 1.765 65.085 63.200 0.200 0.000 1.103 554 S HN 1.123 nan 8.310 nan 0.000 0.455 555 Q N 1.262 120.844 119.800 -0.363 0.000 2.322 555 Q HA 0.664 4.993 4.340 -0.019 0.000 0.265 555 Q C -1.747 174.104 176.000 -0.249 0.000 0.985 555 Q CA -0.840 54.588 55.803 -0.625 0.000 0.849 555 Q CB 1.802 30.305 28.738 -0.392 0.000 1.274 555 Q HN 0.700 nan 8.270 nan 0.000 0.449 556 V N 6.487 126.274 119.914 -0.211 0.000 2.320 556 V HA 0.323 4.432 4.120 -0.019 0.000 0.268 556 V C -2.347 173.706 176.094 -0.069 0.000 1.021 556 V CA -1.588 60.659 62.300 -0.089 0.000 0.813 556 V CB 0.988 32.785 31.823 -0.044 0.000 1.054 556 V HN 0.762 nan 8.190 nan 0.000 0.444 557 P HA 0.491 nan 4.420 nan 0.000 0.271 557 P C -0.432 176.865 177.300 -0.004 0.000 1.216 557 P CA 0.299 63.387 63.100 -0.021 0.000 0.771 557 P CB 1.016 32.717 31.700 0.001 0.000 0.864 558 A N 2.658 125.478 122.820 0.001 0.000 2.574 558 A HA 0.351 4.659 4.320 -0.019 0.000 0.297 558 A C 0.585 178.184 177.584 0.025 0.000 1.062 558 A CA -0.621 51.426 52.037 0.016 0.000 0.686 558 A CB 1.238 20.246 19.000 0.014 0.000 1.285 558 A HN 0.375 nan 8.150 nan 0.000 0.403 559 K N 0.114 120.537 120.400 0.039 0.000 2.155 559 K HA 0.021 4.330 4.320 -0.019 0.000 0.203 559 K C 0.226 176.857 176.600 0.052 0.000 1.052 559 K CA 1.245 57.559 56.287 0.044 0.000 0.948 559 K CB -0.032 32.498 32.500 0.050 0.000 0.728 559 K HN 0.736 nan 8.250 nan 0.000 0.448 560 T N 1.719 116.306 114.554 0.054 0.000 2.884 560 T HA -0.018 4.321 4.350 -0.019 0.000 0.298 560 T C -0.118 174.626 174.700 0.074 0.000 0.998 560 T CA -0.233 61.906 62.100 0.066 0.000 1.124 560 T CB 0.993 69.903 68.868 0.070 0.000 0.931 560 T HN 0.039 nan 8.240 nan 0.000 0.531 561 D N 2.682 123.139 120.400 0.095 0.000 2.662 561 D HA 0.130 4.758 4.640 -0.019 0.000 0.228 561 D C 0.324 176.694 176.300 0.116 0.000 1.093 561 D CA -0.505 53.574 54.000 0.132 0.000 1.075 561 D CB -0.901 39.996 40.800 0.162 0.000 1.122 561 D HN 0.610 nan 8.370 nan 0.000 0.475 562 C N 0.038 119.394 119.300 0.093 0.000 2.668 562 C HA 0.911 5.359 4.460 -0.019 0.000 0.355 562 C C -0.236 174.808 174.990 0.091 0.000 1.277 562 C CA -0.912 58.162 59.018 0.094 0.000 1.787 562 C CB 1.365 29.151 27.740 0.077 0.000 2.233 562 C HN 0.212 nan 8.230 nan 0.000 0.495 563 V N 1.418 121.403 119.914 0.118 0.000 2.932 563 V HA 0.614 4.722 4.120 -0.019 0.000 0.307 563 V C -0.897 175.292 176.094 0.160 0.000 1.147 563 V CA -0.460 61.921 62.300 0.135 0.000 0.951 563 V CB 2.172 34.100 31.823 0.174 0.000 1.031 563 V HN 1.072 nan 8.190 nan 0.000 0.426 564 M N 5.556 125.211 119.600 0.092 0.000 2.706 564 M HA 0.783 5.252 4.480 -0.019 0.000 0.304 564 M C -1.202 175.125 176.300 0.047 0.000 1.217 564 M CA -0.554 54.696 55.300 -0.082 0.000 0.922 564 M CB 2.083 34.650 32.600 -0.054 0.000 1.637 564 M HN 0.708 nan 8.290 nan 0.000 0.492 565 F N -0.209 119.745 119.950 0.006 0.000 2.719 565 F HA 0.823 5.339 4.527 -0.018 0.000 0.309 565 F C -1.509 174.286 175.800 -0.008 0.000 1.138 565 F CA -1.554 56.365 58.000 -0.136 0.000 0.943 565 F CB 1.026 39.952 39.000 -0.123 0.000 1.304 565 F HN 0.542 nan 8.300 nan 0.000 0.445 566 F N -1.003 119.070 119.950 0.206 0.000 2.713 566 F HA 0.916 5.432 4.527 -0.018 0.000 0.311 566 F C -0.205 175.660 175.800 0.108 0.000 1.141 566 F CA -1.792 56.275 58.000 0.112 0.000 0.939 566 F CB 0.890 39.929 39.000 0.065 0.000 1.325 566 F HN 0.844 nan 8.300 nan 0.000 0.453 567 G N 0.470 109.491 108.800 0.367 0.000 2.507 567 G HA2 0.580 4.528 3.960 -0.019 0.000 0.271 567 G HA3 0.580 4.528 3.960 -0.019 0.000 0.271 567 G C -2.998 172.078 174.900 0.292 0.000 1.189 567 G CA -1.780 43.447 45.100 0.212 0.000 0.859 567 G HN 0.493 nan 8.290 nan 0.000 0.542 568 P HA 0.070 nan 4.420 nan 0.000 0.269 568 P C 1.123 178.593 177.300 0.284 0.000 1.217 568 P CA -0.221 62.938 63.100 0.098 0.000 0.783 568 P CB 0.915 32.502 31.700 -0.189 0.000 0.898 569 V N -0.378 119.641 119.914 0.175 0.000 3.650 569 V HA 0.144 4.253 4.120 -0.019 0.000 0.271 569 V C 0.463 176.587 176.094 0.051 0.000 1.281 569 V CA 0.406 62.757 62.300 0.084 0.000 1.120 569 V CB -0.577 31.202 31.823 -0.073 0.000 0.856 569 V HN 0.324 nan 8.190 nan 0.000 0.443 570 V N -5.419 114.539 119.914 0.074 0.000 2.925 570 V HA 0.636 4.745 4.120 -0.019 0.000 0.311 570 V C -2.012 174.189 176.094 0.177 0.000 1.104 570 V CA -1.932 60.361 62.300 -0.012 0.000 0.954 570 V CB 1.364 32.943 31.823 -0.406 0.000 1.022 570 V HN -0.024 nan 8.190 nan 0.000 0.427 571 P HA -0.139 nan 4.420 nan 0.000 0.216 571 P C 0.458 177.886 177.300 0.213 0.000 1.150 571 P CA 1.976 65.171 63.100 0.158 0.000 0.843 571 P CB 0.032 31.757 31.700 0.041 0.000 0.787 572 D N -1.719 118.763 120.400 0.136 0.000 2.615 572 D HA 0.204 4.833 4.640 -0.019 0.000 0.236 572 D C 0.744 177.027 176.300 -0.029 0.000 1.233 572 D CA -0.301 53.734 54.000 0.058 0.000 0.829 572 D CB -0.288 40.561 40.800 0.081 0.000 1.024 572 D HN 0.023 nan 8.370 nan 0.000 0.490 573 G N -0.752 108.023 108.800 -0.042 0.000 2.932 573 G HA2 0.570 4.518 3.960 -0.019 0.000 0.283 573 G HA3 0.570 4.518 3.960 -0.019 0.000 0.283 573 G C -1.533 173.225 174.900 -0.238 0.000 1.336 573 G CA -0.785 44.267 45.100 -0.080 0.000 1.056 573 G HN 0.089 nan 8.290 nan 0.000 0.522 574 Y N -1.446 118.893 120.300 0.064 0.000 2.524 574 Y HA 0.590 5.128 4.550 -0.019 0.000 0.344 574 Y C 0.641 176.584 175.900 0.072 0.000 1.012 574 Y CA -0.610 57.512 58.100 0.036 0.000 1.068 574 Y CB 2.718 41.224 38.460 0.077 0.000 1.249 574 Y HN 0.686 nan 8.280 nan 0.000 0.468 575 G N 2.885 111.795 108.800 0.183 0.000 2.437 575 G HA2 0.660 4.608 3.960 -0.019 0.000 0.315 575 G HA3 0.660 4.608 3.960 -0.019 0.000 0.315 575 G C -1.251 173.558 174.900 -0.151 0.000 1.210 575 G CA -0.450 44.712 45.100 0.102 0.000 0.943 575 G HN 0.524 nan 8.290 nan 0.000 0.471 576 I N 1.735 122.275 120.570 -0.049 0.000 2.466 576 I HA 0.394 4.553 4.170 -0.019 0.000 0.289 576 I C -0.482 175.686 176.117 0.084 0.000 1.026 576 I CA -0.721 60.592 61.300 0.021 0.000 1.078 576 I CB 2.153 40.260 38.000 0.177 0.000 1.249 576 I HN 0.434 nan 8.210 nan 0.000 0.429 577 C N 7.040 126.377 119.300 0.063 0.000 2.802 577 C HA 0.864 5.312 4.460 -0.019 0.000 0.307 577 C C -1.360 173.778 174.990 0.246 0.000 1.222 577 C CA -0.422 58.661 59.018 0.108 0.000 1.580 577 C CB 1.566 29.301 27.740 -0.009 0.000 2.119 577 C HN 0.754 nan 8.230 nan 0.000 0.479 578 Y N 2.040 122.363 120.300 0.038 0.000 2.581 578 Y HA 0.593 5.131 4.550 -0.019 0.000 0.337 578 Y C -0.933 174.877 175.900 -0.150 0.000 1.108 578 Y CA -1.169 56.833 58.100 -0.163 0.000 1.033 578 Y CB 0.783 38.928 38.460 -0.525 0.000 1.318 578 Y HN 0.560 nan 8.280 nan 0.000 0.459 579 N N 2.709 121.359 118.700 -0.084 0.000 2.564 579 N HA 0.478 5.207 4.740 -0.019 0.000 0.248 579 N C -3.249 172.200 175.510 -0.101 0.000 0.986 579 N CA -2.683 50.318 53.050 -0.082 0.000 0.921 579 N CB 1.508 39.965 38.487 -0.050 0.000 1.136 579 N HN 0.384 nan 8.380 nan 0.000 0.509 580 P HA 0.144 nan 4.420 nan 0.000 0.271 580 P C 0.008 177.258 177.300 -0.082 0.000 1.380 580 P CA -0.025 63.053 63.100 -0.037 0.000 0.992 580 P CB 0.187 31.932 31.700 0.075 0.000 1.230 581 M N 1.660 121.139 119.600 -0.202 0.000 2.012 581 M HA 0.161 4.629 4.480 -0.019 0.000 0.248 581 M C 1.792 178.038 176.300 -0.090 0.000 1.238 581 M CA -0.348 54.820 55.300 -0.220 0.000 0.980 581 M CB 0.040 32.286 32.600 -0.590 0.000 1.346 581 M HN 0.156 nan 8.290 nan 0.000 0.511 582 E N 1.075 121.263 120.200 -0.020 0.000 2.047 582 E HA -0.018 4.321 4.350 -0.019 0.000 0.191 582 E C 1.266 177.934 176.600 0.113 0.000 0.987 582 E CA 2.105 58.537 56.400 0.053 0.000 0.799 582 E CB 0.027 29.765 29.700 0.064 0.000 0.752 582 E HN 0.692 nan 8.360 nan 0.000 0.449 583 A N -0.186 122.734 122.820 0.166 0.000 2.431 583 A HA 0.210 4.519 4.320 -0.019 0.000 0.239 583 A C 0.095 177.868 177.584 0.315 0.000 1.230 583 A CA 0.187 52.368 52.037 0.239 0.000 0.928 583 A CB -0.264 18.864 19.000 0.213 0.000 1.006 583 A HN 0.509 nan 8.150 nan 0.000 0.520 584 H N -2.257 116.892 119.070 0.131 0.000 2.948 584 H HA 0.684 5.230 4.556 -0.017 0.000 0.315 584 H C -1.978 173.417 175.328 0.112 0.000 1.360 584 H CA -1.370 54.755 56.048 0.128 0.000 1.125 584 H CB 0.648 30.464 29.762 0.091 0.000 1.844 584 H HN 0.004 nan 8.280 nan 0.000 0.529 585 I N 1.318 121.950 120.570 0.103 0.000 2.569 585 I HA 0.230 4.389 4.170 -0.019 0.000 0.290 585 I C -0.731 175.352 176.117 -0.057 0.000 1.088 585 I CA -0.580 60.637 61.300 -0.138 0.000 1.047 585 I CB 2.134 39.947 38.000 -0.310 0.000 1.237 585 I HN 0.450 nan 8.210 nan 0.000 0.421 586 N N 5.519 124.142 118.700 -0.129 0.000 2.419 586 N HA 0.523 5.251 4.740 -0.019 0.000 0.264 586 N C -1.351 174.105 175.510 -0.090 0.000 1.031 586 N CA -0.316 52.746 53.050 0.020 0.000 0.951 586 N CB 1.016 39.545 38.487 0.070 0.000 1.101 586 N HN 0.266 nan 8.380 nan 0.000 0.488 587 F N 0.667 120.713 119.950 0.159 0.000 2.538 587 F HA 0.510 5.025 4.527 -0.020 0.000 0.325 587 F C 0.346 176.203 175.800 0.094 0.000 1.066 587 F CA -0.775 57.308 58.000 0.139 0.000 0.946 587 F CB 1.880 40.929 39.000 0.082 0.000 1.199 587 F HN 0.294 nan 8.300 nan 0.000 0.473 588 S N 1.186 117.068 115.700 0.303 0.000 2.575 588 S HA 0.859 5.318 4.470 -0.019 0.000 0.278 588 S C -1.664 172.976 174.600 0.067 0.000 1.139 588 S CA -0.701 57.575 58.200 0.126 0.000 0.954 588 S CB 1.362 64.642 63.200 0.133 0.000 1.054 588 S HN 0.373 nan 8.310 nan 0.000 0.483 589 V N 2.897 122.816 119.914 0.007 0.000 2.531 589 V HA 0.826 4.935 4.120 -0.019 0.000 0.301 589 V C -0.066 176.025 176.094 -0.006 0.000 1.034 589 V CA -0.485 61.816 62.300 0.001 0.000 0.865 589 V CB 1.677 33.492 31.823 -0.014 0.000 0.995 589 V HN 1.150 nan 8.190 nan 0.000 0.424 590 S N 3.149 118.852 115.700 0.005 0.000 2.566 590 S HA 1.012 5.471 4.470 -0.019 0.000 0.298 590 S C -0.515 174.057 174.600 -0.048 0.000 1.083 590 S CA -0.184 57.988 58.200 -0.047 0.000 0.978 590 S CB 2.489 65.626 63.200 -0.105 0.000 1.073 590 S HN 1.688 nan 8.310 nan 0.000 0.491 591 A N 0.774 123.485 122.820 -0.182 0.000 2.599 591 A HA 0.711 5.019 4.320 -0.019 0.000 0.290 591 A C -2.265 175.120 177.584 -0.333 0.000 1.101 591 A CA -0.836 51.011 52.037 -0.318 0.000 0.674 591 A CB 0.638 19.520 19.000 -0.196 0.000 1.277 591 A HN 0.757 nan 8.150 nan 0.000 0.419 592 Y N 1.360 121.639 120.300 -0.034 0.000 2.341 592 Y HA 0.326 4.865 4.550 -0.019 0.000 0.337 592 Y C 1.353 177.245 175.900 -0.014 0.000 1.014 592 Y CA -1.190 56.909 58.100 -0.001 0.000 1.111 592 Y CB 1.334 39.806 38.460 0.020 0.000 1.194 592 Y HN 0.706 nan 8.280 nan 0.000 0.462 593 N N 0.560 119.356 118.700 0.160 0.000 2.381 593 N HA -0.141 4.587 4.740 -0.019 0.000 0.182 593 N C 1.697 177.251 175.510 0.073 0.000 1.025 593 N CA 1.255 54.356 53.050 0.086 0.000 0.888 593 N CB -0.091 38.433 38.487 0.061 0.000 0.965 593 N HN 0.679 nan 8.380 nan 0.000 0.438 594 S N -0.716 115.036 115.700 0.086 0.000 2.469 594 S HA -0.069 4.389 4.470 -0.019 0.000 0.238 594 S C 1.224 175.851 174.600 0.045 0.000 0.998 594 S CA 0.027 58.254 58.200 0.045 0.000 0.957 594 S CB -0.476 62.731 63.200 0.012 0.000 0.764 594 S HN 0.348 nan 8.310 nan 0.000 0.514 595 C N 2.302 121.641 119.300 0.065 0.000 2.225 595 C HA 0.827 5.275 4.460 -0.019 0.000 0.323 595 C C 1.621 176.633 174.990 0.037 0.000 1.164 595 C CA -0.614 58.432 59.018 0.047 0.000 1.565 595 C CB -0.556 27.213 27.740 0.049 0.000 2.124 595 C HN 0.574 nan 8.230 nan 0.000 0.461 596 A N 3.474 126.316 122.820 0.036 0.000 2.178 596 A HA -0.070 4.238 4.320 -0.019 0.000 0.218 596 A C 1.849 179.463 177.584 0.050 0.000 1.157 596 A CA 1.443 53.502 52.037 0.038 0.000 0.689 596 A CB -0.244 18.774 19.000 0.031 0.000 0.787 596 A HN 0.870 nan 8.150 nan 0.000 0.465 597 E N -0.090 120.145 120.200 0.058 0.000 2.482 597 E HA 0.019 4.358 4.350 -0.019 0.000 0.196 597 E C 0.668 177.361 176.600 0.155 0.000 1.047 597 E CA 0.909 57.373 56.400 0.108 0.000 0.869 597 E CB -0.006 29.752 29.700 0.096 0.000 0.836 597 E HN 0.703 nan 8.360 nan 0.000 0.520 598 T N -1.730 112.856 114.554 0.055 0.000 2.887 598 T HA 0.545 4.884 4.350 -0.019 0.000 0.288 598 T C -0.523 174.221 174.700 0.073 0.000 1.021 598 T CA -1.052 61.050 62.100 0.003 0.000 1.000 598 T CB 1.760 70.365 68.868 -0.438 0.000 1.034 598 T HN -0.078 nan 8.240 nan 0.000 0.467 599 N N 0.485 119.328 118.700 0.237 0.000 2.572 599 N HA 0.341 5.069 4.740 -0.019 0.000 0.287 599 N C 0.820 176.498 175.510 0.279 0.000 1.136 599 N CA -0.156 53.006 53.050 0.186 0.000 0.900 599 N CB 2.024 40.582 38.487 0.118 0.000 1.484 599 N HN 0.799 nan 8.380 nan 0.000 0.526 600 A N 3.444 126.389 122.820 0.208 0.000 1.883 600 A HA -0.084 4.225 4.320 -0.019 0.000 0.217 600 A C 2.092 179.668 177.584 -0.013 0.000 1.186 600 A CA 2.272 54.399 52.037 0.150 0.000 0.624 600 A CB -0.719 18.321 19.000 0.068 0.000 0.822 600 A HN 0.760 nan 8.150 nan 0.000 0.444 601 A N -0.485 122.294 122.820 -0.069 0.000 1.908 601 A HA -0.197 4.112 4.320 -0.019 0.000 0.218 601 A C 2.266 179.609 177.584 -0.402 0.000 1.181 601 A CA 1.937 53.813 52.037 -0.269 0.000 0.627 601 A CB -0.497 18.403 19.000 -0.168 0.000 0.818 601 A HN 0.575 nan 8.150 nan 0.000 0.445 602 R N -1.605 118.842 120.500 -0.089 0.000 2.075 602 R HA -0.130 4.199 4.340 -0.019 0.000 0.232 602 R C 2.132 178.485 176.300 0.088 0.000 1.126 602 R CA 1.835 57.981 56.100 0.078 0.000 0.963 602 R CB -0.310 30.057 30.300 0.112 0.000 0.858 602 R HN 0.445 nan 8.270 nan 0.000 0.435 603 M N 0.487 120.060 119.600 -0.044 0.000 2.086 603 M HA -0.068 4.400 4.480 -0.019 0.000 0.261 603 M C 2.021 178.250 176.300 -0.119 0.000 1.067 603 M CA 2.034 57.221 55.300 -0.188 0.000 1.116 603 M CB -0.408 31.851 32.600 -0.567 0.000 1.348 603 M HN 0.243 nan 8.290 nan 0.000 0.407 604 A N -1.039 121.694 122.820 -0.145 0.000 1.883 604 A HA -0.229 4.080 4.320 -0.019 0.000 0.217 604 A C 2.020 179.599 177.584 -0.009 0.000 1.186 604 A CA 2.172 54.126 52.037 -0.138 0.000 0.624 604 A CB -1.454 17.453 19.000 -0.154 0.000 0.822 604 A HN 0.774 nan 8.150 nan 0.000 0.444 605 H N -3.083 116.011 119.070 0.040 0.000 2.352 605 H HA -0.174 4.370 4.556 -0.019 0.000 0.299 605 H C 1.931 177.250 175.328 -0.015 0.000 1.097 605 H CA 1.709 57.770 56.048 0.022 0.000 1.311 605 H CB -0.160 29.613 29.762 0.017 0.000 1.377 605 H HN 0.620 nan 8.280 nan 0.000 0.504 606 Y N -0.049 120.281 120.300 0.049 0.000 2.314 606 Y HA -0.151 4.387 4.550 -0.019 0.000 0.293 606 Y C 2.332 178.203 175.900 -0.049 0.000 1.129 606 Y CA 0.540 58.633 58.100 -0.010 0.000 1.201 606 Y CB -0.081 38.349 38.460 -0.051 0.000 0.999 606 Y HN 0.162 nan 8.280 nan 0.000 0.541 607 L N 0.521 121.765 121.223 0.035 0.000 2.027 607 L HA -0.167 4.161 4.340 -0.019 0.000 0.206 607 L C 2.301 179.078 176.870 -0.156 0.000 1.074 607 L CA 2.010 56.764 54.840 -0.143 0.000 0.745 607 L CB -0.924 40.922 42.059 -0.355 0.000 0.898 607 L HN 0.306 nan 8.230 nan 0.000 0.433 608 E N -0.453 119.719 120.200 -0.047 0.000 2.038 608 E HA -0.342 3.997 4.350 -0.019 0.000 0.195 608 E C 2.195 178.902 176.600 0.178 0.000 1.000 608 E CA 1.644 58.156 56.400 0.187 0.000 0.803 608 E CB -0.125 29.766 29.700 0.319 0.000 0.750 608 E HN 0.326 nan 8.360 nan 0.000 0.448 609 K N 0.558 120.994 120.400 0.061 0.000 2.097 609 K HA -0.078 4.231 4.320 -0.019 0.000 0.206 609 K C 1.787 178.408 176.600 0.036 0.000 1.049 609 K CA 1.451 57.741 56.287 0.005 0.000 0.933 609 K CB -0.517 31.923 32.500 -0.100 0.000 0.717 609 K HN 0.243 nan 8.250 nan 0.000 0.442 610 A N 0.510 123.353 122.820 0.038 0.000 1.902 610 A HA -0.102 4.207 4.320 -0.019 0.000 0.217 610 A C 2.194 179.828 177.584 0.085 0.000 1.181 610 A CA 1.558 53.629 52.037 0.057 0.000 0.623 610 A CB -0.674 18.353 19.000 0.046 0.000 0.818 610 A HN 0.308 nan 8.150 nan 0.000 0.443 611 L N -0.666 120.602 121.223 0.075 0.000 2.017 611 L HA -0.197 4.131 4.340 -0.019 0.000 0.208 611 L C 2.594 179.746 176.870 0.470 0.000 1.073 611 L CA 1.207 56.187 54.840 0.234 0.000 0.745 611 L CB -0.554 41.425 42.059 -0.133 0.000 0.894 611 L HN 0.375 nan 8.230 nan 0.000 0.432 612 L N -0.620 120.812 121.223 0.349 0.000 2.046 612 L HA -0.228 4.101 4.340 -0.019 0.000 0.208 612 L C 2.236 179.201 176.870 0.158 0.000 1.077 612 L CA 1.085 56.077 54.840 0.254 0.000 0.747 612 L CB -0.657 41.419 42.059 0.028 0.000 0.896 612 L HN 0.276 nan 8.230 nan 0.000 0.432 613 D N -0.268 120.206 120.400 0.123 0.000 2.144 613 D HA -0.176 4.452 4.640 -0.019 0.000 0.199 613 D C 2.303 178.695 176.300 0.152 0.000 0.984 613 D CA 1.314 55.375 54.000 0.102 0.000 0.834 613 D CB -0.079 40.766 40.800 0.075 0.000 0.955 613 D HN 0.302 nan 8.370 nan 0.000 0.465 614 M N -0.190 119.530 119.600 0.200 0.000 2.175 614 M HA -0.094 4.375 4.480 -0.019 0.000 0.264 614 M C 2.282 178.786 176.300 0.340 0.000 1.063 614 M CA 0.993 56.431 55.300 0.229 0.000 1.119 614 M CB 0.026 32.636 32.600 0.016 0.000 1.377 614 M HN -0.107 nan 8.290 nan 0.000 0.415 615 R N -0.185 120.499 120.500 0.306 0.000 2.066 615 R HA -0.118 4.210 4.340 -0.019 0.000 0.232 615 R C 1.901 178.166 176.300 -0.058 0.000 1.131 615 R CA 1.976 58.021 56.100 -0.093 0.000 0.955 615 R CB -0.310 29.569 30.300 -0.701 0.000 0.851 615 R HN 0.249 nan 8.270 nan 0.000 0.432 616 T N 2.010 116.564 114.554 -0.000 0.000 2.684 616 T HA -0.187 4.152 4.350 -0.019 0.000 0.267 616 T C 1.705 176.455 174.700 0.082 0.000 1.036 616 T CA 1.453 63.560 62.100 0.012 0.000 1.148 616 T CB -0.307 68.572 68.868 0.019 0.000 0.863 616 T HN 0.182 nan 8.240 nan 0.000 0.436 617 L N 0.839 122.151 121.223 0.147 0.000 2.012 617 L HA -0.010 4.318 4.340 -0.019 0.000 0.210 617 L C 2.211 179.252 176.870 0.284 0.000 1.073 617 L CA 1.643 56.616 54.840 0.223 0.000 0.748 617 L CB -0.688 41.504 42.059 0.222 0.000 0.891 617 L HN 0.245 nan 8.230 nan 0.000 0.431 618 L N -1.050 120.340 121.223 0.277 0.000 2.046 618 L HA -0.232 4.097 4.340 -0.019 0.000 0.208 618 L C 2.646 179.662 176.870 0.244 0.000 1.077 618 L CA 1.435 56.452 54.840 0.294 0.000 0.747 618 L CB -0.571 41.729 42.059 0.401 0.000 0.896 618 L HN 0.396 nan 8.230 nan 0.000 0.432 619 Q N -0.243 119.680 119.800 0.205 0.000 2.224 619 Q HA -0.150 4.179 4.340 -0.019 0.000 0.203 619 Q C 1.521 177.533 176.000 0.021 0.000 0.970 619 Q CA 1.136 57.008 55.803 0.115 0.000 0.865 619 Q CB -0.150 28.615 28.738 0.045 0.000 0.922 619 Q HN 0.617 nan 8.270 nan 0.000 0.445 620 N N -0.259 118.425 118.700 -0.026 0.000 2.521 620 N HA -0.048 4.680 4.740 -0.019 0.000 0.188 620 N C -0.300 174.869 175.510 -0.569 0.000 1.146 620 N CA 0.162 53.066 53.050 -0.244 0.000 0.893 620 N CB 0.361 38.699 38.487 -0.248 0.000 0.975 620 N HN 0.198 nan 8.380 nan 0.000 0.451 621 H N -0.317 118.788 119.070 0.059 0.000 2.597 621 H HA 0.260 4.804 4.556 -0.019 0.000 0.225 621 H C -2.455 172.902 175.328 0.049 0.000 1.422 621 H CA -1.304 54.774 56.048 0.051 0.000 1.335 621 H CB 0.639 30.433 29.762 0.054 0.000 1.783 621 H HN 0.105 nan 8.280 nan 0.000 0.513 622 P HA 0.034 nan 4.420 nan 0.000 0.272 622 P C 0.914 178.254 177.300 0.066 0.000 1.254 622 P CA -0.367 62.776 63.100 0.070 0.000 0.795 622 P CB 1.161 32.885 31.700 0.041 0.000 1.022 623 R N -0.007 120.519 120.500 0.043 0.000 2.652 623 R HA 0.436 4.764 4.340 -0.019 0.000 0.271 623 R C 0.133 176.450 176.300 0.030 0.000 1.129 623 R CA -0.448 55.672 56.100 0.033 0.000 1.200 623 R CB -0.270 30.041 30.300 0.018 0.000 1.146 623 R HN 0.589 nan 8.270 nan 0.000 0.581 624 A N 1.867 124.702 122.820 0.025 0.000 2.587 624 A HA 0.109 4.418 4.320 -0.019 0.000 0.233 624 A C 0.432 178.026 177.584 0.017 0.000 1.049 624 A CA 0.342 52.392 52.037 0.022 0.000 0.754 624 A CB -0.108 18.903 19.000 0.018 0.000 0.977 624 A HN 0.600 nan 8.150 nan 0.000 0.509 625 K N 0.000 120.410 120.400 0.016 0.000 2.780 625 K HA 0.000 4.309 4.320 -0.019 0.000 0.191 625 K CA 0.000 56.295 56.287 0.013 0.000 0.838 625 K CB 0.000 32.506 32.500 0.010 0.000 1.064 625 K HN 0.000 nan 8.250 nan 0.000 0.543