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 2wp9_1_I DATA FIRST_RESID 1 DATA SEQUENCE MKLPVREFDA VVIGAGGAGM RAALQISQSG QTCALLSKVF PTRSHTVSAQ DATA SEQUENCE GGITVALGNT HEDNWEWHMY DTVKGSDYIG DQDAIEYMCK TGPEAILELE DATA SEQUENCE HMGLPFSRLD DGRIYQRPFG GQSKNFGGEQ AARTAAAADR TGHALLHTLY DATA SEQUENCE QQNLKNHTTI FSEWYALDLV KNQDGAVVGC TALCIETGEV VYFKARATVL DATA SEQUENCE ATGGAGRIYQ STTNAHINTG DGVGMAIRAG VPVQDMEMWQ FHPTGIAGAG DATA SEQUENCE VLVTEGCRGE GGYLLNKHGE RFMERYAPNA KDLAGRDVVA RSIMIEIREG DATA SEQUENCE RGCDGPWGPH AKLKLDHLGK EVLESRLPGI LELSRTFAHV DPVKEPIPVI DATA SEQUENCE PTCHYMMGGI PTKVTGQALT VNEKGEDVVV PGLFAVGEIA CVSVHGANRL DATA SEQUENCE GGNSLLDLVV FGRAAGLHLQ ESIAEQGALR DASESDVEAS LDRLNRWNNN DATA SEQUENCE RNGEDPVAIR KALQECMQHN FSVFREGDAM AKGLEQLKVI RERLKNARLD DATA SEQUENCE DTSSEFNTQR VECLELDNLM ETAYATAVSA NFRTESRGAH SRFDFPDRDD DATA SEQUENCE ENWLCHSLYL PESESMTRRS VNMEPKLRPA FPPKIRTY 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.316 176.300 0.027 0.000 1.140 1 M CA 0.000 55.319 55.300 0.032 0.000 0.988 1 M CB 0.000 32.628 32.600 0.046 0.000 1.302 2 K N 1.301 121.717 120.400 0.027 0.000 2.455 2 K HA 0.489 4.809 4.320 -0.000 0.000 0.206 2 K C -0.646 175.974 176.600 0.035 0.000 1.027 2 K CA -0.078 56.224 56.287 0.026 0.000 1.113 2 K CB 0.941 33.453 32.500 0.019 0.000 0.850 2 K HN 0.389 nan 8.250 nan 0.000 0.503 3 L N 0.944 122.194 121.223 0.045 0.000 2.436 3 L HA 0.439 4.779 4.340 -0.000 0.000 0.268 3 L C -2.740 174.164 176.870 0.056 0.000 0.974 3 L CA -2.273 52.602 54.840 0.060 0.000 0.826 3 L CB 1.607 43.712 42.059 0.078 0.000 1.291 3 L HN -0.132 nan 8.230 nan 0.000 0.406 4 P HA 0.186 nan 4.420 nan 0.000 0.267 4 P C -1.274 176.000 177.300 -0.043 0.000 1.200 4 P CA -0.135 62.963 63.100 -0.002 0.000 0.772 4 P CB 0.589 32.287 31.700 -0.003 0.000 0.855 5 V N 4.466 124.325 119.914 -0.091 0.000 2.409 5 V HA 0.394 4.514 4.120 -0.000 0.000 0.291 5 V C 0.320 176.241 176.094 -0.288 0.000 1.020 5 V CA -0.528 61.663 62.300 -0.181 0.000 0.848 5 V CB 1.449 33.212 31.823 -0.100 0.000 0.990 5 V HN 0.426 nan 8.190 nan 0.000 0.430 6 R N 3.092 123.325 120.500 -0.445 0.000 2.288 6 R HA 0.472 4.812 4.340 -0.000 0.000 0.326 6 R C -0.476 175.638 176.300 -0.310 0.000 0.959 6 R CA -0.481 55.379 56.100 -0.400 0.000 0.834 6 R CB 2.140 32.137 30.300 -0.505 0.000 1.157 6 R HN 0.774 nan 8.270 nan 0.000 0.470 7 E N 3.576 123.521 120.200 -0.425 0.000 2.175 7 E HA 0.389 4.739 4.350 -0.000 0.000 0.278 7 E C -1.212 175.048 176.600 -0.567 0.000 0.969 7 E CA -0.403 55.796 56.400 -0.335 0.000 0.796 7 E CB 0.779 30.322 29.700 -0.263 0.000 1.104 7 E HN 0.296 nan 8.360 nan 0.000 0.395 8 F N 1.715 121.627 119.950 -0.063 0.000 2.626 8 F HA 0.207 4.734 4.527 -0.000 0.000 0.311 8 F C 0.932 176.711 175.800 -0.035 0.000 1.088 8 F CA -0.913 57.069 58.000 -0.030 0.000 0.949 8 F CB 1.575 40.572 39.000 -0.004 0.000 1.322 8 F HN 0.414 nan 8.300 nan 0.000 0.461 9 D N 1.006 121.497 120.400 0.151 0.000 2.092 9 D HA -0.032 4.608 4.640 -0.000 0.000 0.193 9 D C 0.484 176.817 176.300 0.055 0.000 0.994 9 D CA 1.571 55.614 54.000 0.071 0.000 0.828 9 D CB -0.021 40.801 40.800 0.037 0.000 0.963 9 D HN 0.424 nan 8.370 nan 0.000 0.450 10 A N 0.068 122.920 122.820 0.053 0.000 2.386 10 A HA 0.558 4.878 4.320 -0.000 0.000 0.311 10 A C -0.880 176.661 177.584 -0.072 0.000 1.068 10 A CA -0.550 51.464 52.037 -0.038 0.000 0.743 10 A CB 2.201 21.133 19.000 -0.114 0.000 1.258 10 A HN -0.068 nan 8.150 nan 0.000 0.429 11 V N 2.688 122.536 119.914 -0.109 0.000 2.378 11 V HA 0.347 4.467 4.120 -0.000 0.000 0.288 11 V C -0.398 175.582 176.094 -0.189 0.000 1.016 11 V CA -0.504 61.667 62.300 -0.215 0.000 0.840 11 V CB 1.447 33.154 31.823 -0.193 0.000 0.994 11 V HN 0.632 nan 8.190 nan 0.000 0.431 12 V N 6.762 126.549 119.914 -0.211 0.000 2.348 12 V HA 0.384 4.504 4.120 -0.000 0.000 0.270 12 V C 0.232 176.223 176.094 -0.172 0.000 1.037 12 V CA -0.253 61.954 62.300 -0.156 0.000 0.872 12 V CB 1.261 33.007 31.823 -0.128 0.000 1.002 12 V HN 0.683 nan 8.190 nan 0.000 0.464 13 I N 5.423 125.909 120.570 -0.141 0.000 2.260 13 I HA 0.610 4.780 4.170 -0.000 0.000 0.297 13 I C 0.858 176.910 176.117 -0.109 0.000 1.143 13 I CA 0.246 61.455 61.300 -0.152 0.000 1.271 13 I CB 0.275 38.191 38.000 -0.140 0.000 1.461 13 I HN 0.837 nan 8.210 nan 0.000 0.530 14 G N 4.358 113.096 108.800 -0.104 0.000 2.801 14 G HA2 0.236 4.196 3.960 -0.000 0.000 0.648 14 G HA3 0.236 4.196 3.960 -0.000 0.000 0.648 14 G C -0.649 174.214 174.900 -0.062 0.000 1.415 14 G CA -0.359 44.698 45.100 -0.071 0.000 0.887 14 G HN 0.704 nan 8.290 nan 0.000 0.627 15 A N 1.270 124.056 122.820 -0.058 0.000 2.985 15 A HA 0.809 5.129 4.320 -0.000 0.000 0.303 15 A C 1.189 178.735 177.584 -0.064 0.000 1.048 15 A CA 0.999 52.997 52.037 -0.065 0.000 1.016 15 A CB -0.133 18.815 19.000 -0.086 0.000 1.118 15 A HN 2.022 nan 8.150 nan 0.000 0.529 16 G N -0.465 108.313 108.800 -0.037 0.000 2.531 16 G HA2 0.415 4.375 3.960 -0.000 0.000 0.253 16 G HA3 0.415 4.375 3.960 -0.000 0.000 0.253 16 G C 1.138 176.027 174.900 -0.019 0.000 1.439 16 G CA 0.199 45.285 45.100 -0.024 0.000 1.056 16 G HN 0.565 nan 8.290 nan 0.000 0.555 17 G N -0.246 108.554 108.800 -0.001 0.000 2.418 17 G HA2 0.059 4.019 3.960 -0.000 0.000 0.217 17 G HA3 0.059 4.019 3.960 -0.000 0.000 0.217 17 G C 1.986 176.899 174.900 0.022 0.000 1.158 17 G CA 1.877 46.981 45.100 0.007 0.000 0.771 17 G HN 0.885 nan 8.290 nan 0.000 0.545 18 A N 0.836 123.681 122.820 0.041 0.000 1.877 18 A HA 0.146 4.466 4.320 -0.000 0.000 0.216 18 A C 2.706 180.306 177.584 0.027 0.000 1.186 18 A CA 2.215 54.286 52.037 0.056 0.000 0.620 18 A CB -1.091 17.953 19.000 0.074 0.000 0.822 18 A HN 0.533 nan 8.150 nan 0.000 0.443 19 G N -1.091 107.712 108.800 0.004 0.000 2.403 19 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.216 19 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.216 19 G C 1.637 176.520 174.900 -0.029 0.000 1.154 19 G CA 0.978 46.066 45.100 -0.020 0.000 0.784 19 G HN 0.428 nan 8.290 nan 0.000 0.538 20 M N -0.219 119.365 119.600 -0.027 0.000 2.175 20 M HA 0.013 4.493 4.480 -0.000 0.000 0.264 20 M C 2.594 178.878 176.300 -0.027 0.000 1.063 20 M CA 1.139 56.420 55.300 -0.031 0.000 1.119 20 M CB -0.205 32.379 32.600 -0.027 0.000 1.377 20 M HN 0.142 nan 8.290 nan 0.000 0.415 21 R N 1.065 121.558 120.500 -0.013 0.000 2.066 21 R HA -0.021 4.319 4.340 -0.000 0.000 0.232 21 R C 2.102 178.395 176.300 -0.011 0.000 1.131 21 R CA 1.996 58.091 56.100 -0.008 0.000 0.955 21 R CB -0.836 29.470 30.300 0.010 0.000 0.851 21 R HN 0.322 nan 8.270 nan 0.000 0.432 22 A N 0.290 123.106 122.820 -0.007 0.000 1.883 22 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 22 A C 2.388 179.947 177.584 -0.041 0.000 1.186 22 A CA 2.017 54.044 52.037 -0.017 0.000 0.624 22 A CB -1.209 17.781 19.000 -0.016 0.000 0.822 22 A HN 0.485 nan 8.150 nan 0.000 0.444 23 A N -0.780 122.010 122.820 -0.049 0.000 1.877 23 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 23 A C 2.102 179.655 177.584 -0.052 0.000 1.186 23 A CA 1.762 53.763 52.037 -0.060 0.000 0.620 23 A CB -0.689 18.270 19.000 -0.068 0.000 0.822 23 A HN 0.496 nan 8.150 nan 0.000 0.443 24 L N -0.526 120.668 121.223 -0.049 0.000 1.990 24 L HA -0.242 4.098 4.340 -0.000 0.000 0.213 24 L C 2.618 179.464 176.870 -0.040 0.000 1.072 24 L CA 2.682 57.494 54.840 -0.048 0.000 0.755 24 L CB -0.822 41.209 42.059 -0.046 0.000 0.889 24 L HN 0.546 nan 8.230 nan 0.000 0.432 25 Q N -0.571 119.207 119.800 -0.036 0.000 2.079 25 Q HA -0.129 4.211 4.340 -0.000 0.000 0.200 25 Q C 2.164 178.140 176.000 -0.040 0.000 0.974 25 Q CA 1.800 57.582 55.803 -0.035 0.000 0.840 25 Q CB -0.315 28.406 28.738 -0.028 0.000 0.898 25 Q HN 0.599 nan 8.270 nan 0.000 0.430 26 I N -0.312 120.230 120.570 -0.046 0.000 2.208 26 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 26 I C 2.432 178.528 176.117 -0.036 0.000 1.097 26 I CA 1.359 62.627 61.300 -0.052 0.000 1.363 26 I CB -0.485 37.473 38.000 -0.070 0.000 1.051 26 I HN 0.222 nan 8.210 nan 0.000 0.413 27 S N 0.200 115.881 115.700 -0.030 0.000 2.348 27 S HA -0.268 4.202 4.470 -0.000 0.000 0.221 27 S C 2.025 176.616 174.600 -0.015 0.000 1.033 27 S CA 1.689 59.879 58.200 -0.016 0.000 1.010 27 S CB -0.176 63.013 63.200 -0.018 0.000 0.891 27 S HN 0.421 nan 8.310 nan 0.000 0.442 28 Q N 0.377 120.163 119.800 -0.023 0.000 2.170 28 Q HA 0.011 4.351 4.340 -0.000 0.000 0.203 28 Q C 2.021 178.008 176.000 -0.022 0.000 0.976 28 Q CA 1.508 57.297 55.803 -0.022 0.000 0.858 28 Q CB -0.154 28.568 28.738 -0.027 0.000 0.907 28 Q HN 0.417 nan 8.270 nan 0.000 0.433 29 S N -0.893 114.790 115.700 -0.028 0.000 2.660 29 S HA 0.078 4.548 4.470 -0.000 0.000 0.228 29 S C 1.108 175.696 174.600 -0.021 0.000 0.966 29 S CA 0.630 58.812 58.200 -0.030 0.000 0.940 29 S CB 0.094 63.270 63.200 -0.040 0.000 0.773 29 S HN 0.677 nan 8.310 nan 0.000 0.535 30 G N 0.646 109.438 108.800 -0.014 0.000 2.175 30 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.244 30 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.244 30 G C -0.144 174.755 174.900 -0.001 0.000 0.982 30 G CA -0.288 44.808 45.100 -0.006 0.000 0.641 30 G HN 0.504 nan 8.290 nan 0.000 0.527 31 Q N 0.786 120.584 119.800 -0.003 0.000 2.205 31 Q HA 0.613 4.953 4.340 -0.000 0.000 0.249 31 Q C 0.692 176.711 176.000 0.032 0.000 0.948 31 Q CA 0.088 55.896 55.803 0.008 0.000 0.895 31 Q CB 1.246 29.981 28.738 -0.005 0.000 1.249 31 Q HN 0.432 nan 8.270 nan 0.000 0.458 32 T N -2.259 112.333 114.554 0.063 0.000 2.897 32 T HA 0.464 4.814 4.350 -0.000 0.000 0.294 32 T C -0.389 174.416 174.700 0.174 0.000 1.004 32 T CA -0.736 61.445 62.100 0.135 0.000 1.106 32 T CB 0.783 69.745 68.868 0.155 0.000 0.949 32 T HN 0.636 nan 8.240 nan 0.000 0.520 33 C N 2.879 122.285 119.300 0.177 0.000 2.642 33 C HA 0.774 5.234 4.460 -0.000 0.000 0.344 33 C C -0.158 174.746 174.990 -0.145 0.000 1.110 33 C CA -0.396 58.630 59.018 0.014 0.000 1.298 33 C CB -0.075 27.648 27.740 -0.030 0.000 1.827 33 C HN 1.303 nan 8.230 nan 0.000 0.467 34 A N 5.147 127.655 122.820 -0.520 0.000 2.292 34 A HA 0.732 5.052 4.320 -0.000 0.000 0.319 34 A C -1.000 176.372 177.584 -0.353 0.000 1.206 34 A CA -0.426 51.224 52.037 -0.645 0.000 0.835 34 A CB 0.839 18.972 19.000 -1.444 0.000 1.164 34 A HN 1.115 nan 8.150 nan 0.000 0.505 35 L N 3.727 124.843 121.223 -0.178 0.000 2.276 35 L HA 0.590 4.930 4.340 -0.000 0.000 0.286 35 L C -1.228 175.572 176.870 -0.117 0.000 1.024 35 L CA -0.373 54.378 54.840 -0.148 0.000 0.826 35 L CB 0.779 42.779 42.059 -0.099 0.000 1.211 35 L HN 0.555 nan 8.230 nan 0.000 0.422 36 L N 3.920 125.020 121.223 -0.206 0.000 2.325 36 L HA 0.732 5.072 4.340 -0.000 0.000 0.279 36 L C 0.128 176.952 176.870 -0.076 0.000 1.054 36 L CA 0.191 54.925 54.840 -0.176 0.000 0.804 36 L CB 1.690 43.533 42.059 -0.360 0.000 1.200 36 L HN 0.701 nan 8.230 nan 0.000 0.436 37 S N 0.891 116.604 115.700 0.022 0.000 2.543 37 S HA 0.364 4.834 4.470 -0.000 0.000 0.271 37 S C 0.303 174.962 174.600 0.097 0.000 1.148 37 S CA -0.719 57.494 58.200 0.023 0.000 0.914 37 S CB 1.051 64.247 63.200 -0.006 0.000 1.096 37 S HN 0.722 nan 8.310 nan 0.000 0.471 38 K N 2.049 122.493 120.400 0.074 0.000 2.459 38 K HA 0.195 4.515 4.320 -0.000 0.000 0.193 38 K C 0.577 177.256 176.600 0.132 0.000 1.030 38 K CA 0.589 56.953 56.287 0.128 0.000 1.026 38 K CB -0.275 32.324 32.500 0.165 0.000 0.809 38 K HN 0.479 nan 8.250 nan 0.000 0.504 39 V N -2.493 117.493 119.914 0.120 0.000 3.141 39 V HA 0.462 4.582 4.120 -0.000 0.000 0.312 39 V C -0.415 175.771 176.094 0.153 0.000 1.157 39 V CA -1.544 60.847 62.300 0.152 0.000 1.041 39 V CB 1.021 32.924 31.823 0.132 0.000 1.071 39 V HN 0.093 nan 8.190 nan 0.000 0.441 40 F N 3.613 123.584 119.950 0.036 0.000 2.608 40 F HA 0.345 4.872 4.527 -0.000 0.000 0.380 40 F C -1.490 174.245 175.800 -0.108 0.000 1.083 40 F CA -1.089 56.895 58.000 -0.027 0.000 1.266 40 F CB 1.026 39.997 39.000 -0.048 0.000 1.076 40 F HN 0.438 nan 8.300 nan 0.000 0.574 41 P HA -0.220 nan 4.420 nan 0.000 0.217 41 P C 1.388 178.401 177.300 -0.477 0.000 1.151 41 P CA 2.589 65.367 63.100 -0.536 0.000 0.849 41 P CB -0.324 31.035 31.700 -0.567 0.000 0.787 42 T N -3.642 110.518 114.554 -0.656 0.000 3.160 42 T HA 0.036 4.386 4.350 -0.000 0.000 0.257 42 T C 1.251 175.863 174.700 -0.147 0.000 1.147 42 T CA 0.214 62.045 62.100 -0.448 0.000 1.064 42 T CB -0.591 67.917 68.868 -0.601 0.000 0.949 42 T HN 0.108 nan 8.240 nan 0.000 0.526 43 R N 1.105 121.590 120.500 -0.024 0.000 2.393 43 R HA 0.308 4.648 4.340 -0.000 0.000 0.244 43 R C 0.313 176.640 176.300 0.045 0.000 0.920 43 R CA -0.133 56.002 56.100 0.058 0.000 1.076 43 R CB 0.094 30.469 30.300 0.126 0.000 1.119 43 R HN 0.321 nan 8.270 nan 0.000 0.524 44 S N 0.866 116.562 115.700 -0.006 0.000 2.589 44 S HA -0.033 4.437 4.470 -0.000 0.000 0.265 44 S C 1.054 175.696 174.600 0.070 0.000 1.342 44 S CA -0.328 57.889 58.200 0.028 0.000 1.005 44 S CB 0.779 63.971 63.200 -0.012 0.000 0.909 44 S HN 0.365 nan 8.310 nan 0.000 0.555 45 H N 1.635 120.707 119.070 0.004 0.000 2.456 45 H HA -0.074 4.482 4.556 -0.000 0.000 0.296 45 H C 1.832 177.170 175.328 0.017 0.000 1.079 45 H CA 2.232 58.287 56.048 0.011 0.000 1.322 45 H CB -0.623 29.140 29.762 0.002 0.000 1.388 45 H HN 0.622 nan 8.280 nan 0.000 0.538 46 T N -0.571 113.977 114.554 -0.011 0.000 2.778 46 T HA -0.200 4.150 4.350 -0.000 0.000 0.269 46 T C 2.174 176.822 174.700 -0.085 0.000 1.050 46 T CA 1.219 63.285 62.100 -0.057 0.000 1.137 46 T CB -0.735 68.123 68.868 -0.017 0.000 0.860 46 T HN 0.239 nan 8.240 nan 0.000 0.468 47 V N 1.077 120.953 119.914 -0.064 0.000 2.660 47 V HA -0.170 3.950 4.120 -0.000 0.000 0.257 47 V C 2.200 178.297 176.094 0.005 0.000 1.088 47 V CA 1.873 64.171 62.300 -0.004 0.000 1.106 47 V CB -0.427 31.415 31.823 0.031 0.000 0.686 47 V HN 0.452 nan 8.190 nan 0.000 0.481 48 S N -0.479 115.140 115.700 -0.135 0.000 2.517 48 S HA 0.384 4.854 4.470 -0.000 0.000 0.214 48 S C 0.929 175.454 174.600 -0.126 0.000 0.991 48 S CA 0.348 58.458 58.200 -0.150 0.000 0.906 48 S CB 0.032 63.060 63.200 -0.286 0.000 0.789 48 S HN 0.690 nan 8.310 nan 0.000 0.513 49 A N 1.442 124.190 122.820 -0.121 0.000 2.540 49 A HA 0.173 4.493 4.320 -0.000 0.000 0.239 49 A C 0.888 178.487 177.584 0.025 0.000 1.061 49 A CA 0.168 52.187 52.037 -0.031 0.000 0.758 49 A CB 0.258 19.252 19.000 -0.010 0.000 0.991 49 A HN 0.484 nan 8.150 nan 0.000 0.502 50 Q N 2.292 122.131 119.800 0.065 0.000 2.525 50 Q HA 0.094 4.434 4.340 -0.000 0.000 0.203 50 Q C 2.208 178.280 176.000 0.121 0.000 0.947 50 Q CA 0.640 56.492 55.803 0.081 0.000 0.881 50 Q CB -0.031 28.751 28.738 0.073 0.000 1.049 50 Q HN 0.882 nan 8.270 nan 0.000 0.600 51 G N 0.595 109.516 108.800 0.200 0.000 2.418 51 G HA2 0.182 4.142 3.960 -0.000 0.000 0.217 51 G HA3 0.182 4.142 3.960 -0.000 0.000 0.217 51 G C 0.630 175.538 174.900 0.013 0.000 1.158 51 G CA 0.893 46.156 45.100 0.270 0.000 0.771 51 G HN 0.552 nan 8.290 nan 0.000 0.545 52 G N -1.273 107.474 108.800 -0.088 0.000 2.325 52 G HA2 0.164 4.124 3.960 -0.000 0.000 0.285 52 G HA3 0.164 4.124 3.960 -0.000 0.000 0.285 52 G C -1.218 173.579 174.900 -0.171 0.000 1.303 52 G CA -0.550 44.490 45.100 -0.100 0.000 0.970 52 G HN 0.486 nan 8.290 nan 0.000 0.490 53 I N 1.263 121.777 120.570 -0.093 0.000 2.330 53 I HA 0.367 4.537 4.170 -0.000 0.000 0.289 53 I C 0.301 176.326 176.117 -0.153 0.000 1.001 53 I CA -0.595 60.660 61.300 -0.074 0.000 1.193 53 I CB 1.782 39.810 38.000 0.045 0.000 1.345 53 I HN 0.365 nan 8.210 nan 0.000 0.461 54 T N 6.169 120.621 114.554 -0.170 0.000 2.761 54 T HA 0.389 4.739 4.350 -0.000 0.000 0.296 54 T C -0.343 174.233 174.700 -0.207 0.000 0.934 54 T CA -0.143 61.825 62.100 -0.220 0.000 1.091 54 T CB 0.901 69.666 68.868 -0.171 0.000 0.896 54 T HN 0.403 nan 8.240 nan 0.000 0.515 55 V N 2.672 122.412 119.914 -0.289 0.000 2.950 55 V HA 0.629 4.748 4.120 -0.000 0.000 0.295 55 V C -0.750 175.219 176.094 -0.207 0.000 1.297 55 V CA -0.931 61.252 62.300 -0.195 0.000 0.962 55 V CB 1.813 33.578 31.823 -0.097 0.000 1.081 55 V HN 0.922 nan 8.190 nan 0.000 0.432 56 A N 6.541 129.298 122.820 -0.105 0.000 3.048 56 A HA 0.378 4.698 4.320 -0.000 0.000 0.264 56 A C 1.000 178.526 177.584 -0.097 0.000 1.796 56 A CA 0.003 51.993 52.037 -0.078 0.000 1.445 56 A CB -0.653 18.375 19.000 0.047 0.000 1.074 56 A HN 0.964 nan 8.150 nan 0.000 0.621 57 L N 0.716 121.846 121.223 -0.154 0.000 2.141 57 L HA 0.005 4.345 4.340 -0.000 0.000 0.209 57 L C 1.966 178.745 176.870 -0.151 0.000 1.094 57 L CA 1.005 55.750 54.840 -0.158 0.000 0.763 57 L CB -0.388 41.549 42.059 -0.203 0.000 0.908 57 L HN 0.795 nan 8.230 nan 0.000 0.437 58 G N -0.009 108.679 108.800 -0.187 0.000 2.160 58 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.244 58 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.244 58 G C 0.543 175.341 174.900 -0.171 0.000 1.022 58 G CA 0.552 45.542 45.100 -0.183 0.000 0.741 58 G HN 0.332 nan 8.290 nan 0.000 0.508 59 N N -0.204 118.377 118.700 -0.198 0.000 2.251 59 N HA 0.014 4.754 4.740 -0.000 0.000 0.181 59 N C 2.207 177.639 175.510 -0.131 0.000 1.019 59 N CA 1.708 54.671 53.050 -0.146 0.000 0.862 59 N CB -0.328 38.070 38.487 -0.148 0.000 0.992 59 N HN 0.356 nan 8.380 nan 0.000 0.429 60 T N -0.097 114.330 114.554 -0.212 0.000 3.054 60 T HA 0.013 4.363 4.350 -0.000 0.000 0.259 60 T C -0.291 174.392 174.700 -0.027 0.000 1.092 60 T CA 0.686 62.709 62.100 -0.129 0.000 1.121 60 T CB -0.063 68.706 68.868 -0.164 0.000 0.912 60 T HN 0.583 nan 8.240 nan 0.000 0.489 61 H N -1.613 117.453 119.070 -0.006 0.000 3.024 61 H HA 0.432 4.988 4.556 -0.000 0.000 0.324 61 H C -1.347 173.993 175.328 0.020 0.000 1.347 61 H CA -1.136 54.923 56.048 0.019 0.000 1.182 61 H CB 0.246 30.031 29.762 0.039 0.000 1.889 61 H HN -0.238 nan 8.280 nan 0.000 0.528 62 E N 1.198 121.535 120.200 0.227 0.000 2.608 62 E HA 0.010 4.360 4.350 -0.000 0.000 0.259 62 E C -0.545 176.186 176.600 0.218 0.000 0.951 62 E CA 1.074 57.559 56.400 0.142 0.000 0.945 62 E CB 0.570 30.350 29.700 0.133 0.000 0.916 62 E HN 0.566 nan 8.360 nan 0.000 0.477 63 D N 1.389 121.757 120.400 -0.053 0.000 2.714 63 D HA 0.394 5.034 4.640 -0.000 0.000 0.278 63 D C -1.087 174.850 176.300 -0.605 0.000 1.102 63 D CA -0.641 53.265 54.000 -0.157 0.000 1.108 63 D CB 1.364 42.128 40.800 -0.060 0.000 1.444 63 D HN 0.279 nan 8.370 nan 0.000 0.568 64 N N 0.741 119.012 118.700 -0.714 0.000 2.493 64 N HA 0.035 4.775 4.740 -0.000 0.000 0.279 64 N C 0.732 176.001 175.510 -0.402 0.000 1.082 64 N CA -0.579 51.973 53.050 -0.831 0.000 0.963 64 N CB 0.725 38.114 38.487 -1.829 0.000 1.627 64 N HN 0.637 nan 8.380 nan 0.000 0.499 65 W N 3.515 124.716 121.300 -0.166 0.000 2.364 65 W HA -0.017 4.643 4.660 -0.000 0.000 0.281 65 W C 0.493 177.075 176.519 0.105 0.000 1.219 65 W CA 0.650 58.005 57.345 0.017 0.000 1.220 65 W CB -0.349 29.115 29.460 0.007 0.000 1.127 65 W HN 0.574 nan 8.180 nan 0.000 0.556 66 E N 0.022 119.753 120.200 -0.782 0.000 2.204 66 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 66 E C 1.961 178.663 176.600 0.170 0.000 0.989 66 E CA 1.492 57.633 56.400 -0.432 0.000 0.824 66 E CB -0.473 28.951 29.700 -0.460 0.000 0.756 66 E HN 0.196 nan 8.360 nan 0.000 0.477 67 W N 0.454 121.617 121.300 -0.228 0.000 2.381 67 W HA -0.113 4.548 4.660 0.000 0.000 0.301 67 W C 2.103 178.668 176.519 0.077 0.000 1.205 67 W CA 0.837 58.033 57.345 -0.248 0.000 1.285 67 W CB -1.336 27.940 29.460 -0.307 0.000 1.133 67 W HN 0.322 nan 8.180 nan 0.000 0.521 68 H N -0.552 118.669 119.070 0.253 0.000 2.389 68 H HA -0.167 4.389 4.556 -0.000 0.000 0.299 68 H C 2.307 177.767 175.328 0.220 0.000 1.081 68 H CA 1.627 57.806 56.048 0.218 0.000 1.345 68 H CB -0.081 29.800 29.762 0.197 0.000 1.393 68 H HN 0.021 nan 8.280 nan 0.000 0.520 69 M N 0.050 119.800 119.600 0.250 0.000 2.067 69 M HA -0.252 4.228 4.480 -0.000 0.000 0.260 69 M C 2.246 178.593 176.300 0.078 0.000 1.069 69 M CA 1.930 57.359 55.300 0.214 0.000 1.117 69 M CB -0.414 32.463 32.600 0.462 0.000 1.334 69 M HN 0.364 nan 8.290 nan 0.000 0.407 70 Y N 1.494 121.704 120.300 -0.150 0.000 2.040 70 Y HA -0.368 4.182 4.550 -0.000 0.000 0.275 70 Y C 1.923 177.678 175.900 -0.241 0.000 1.171 70 Y CA 2.470 60.226 58.100 -0.574 0.000 1.123 70 Y CB -0.666 37.593 38.460 -0.334 0.000 0.963 70 Y HN 0.368 nan 8.280 nan 0.000 0.493 71 D N -0.778 119.656 120.400 0.058 0.000 2.133 71 D HA -0.177 4.463 4.640 -0.000 0.000 0.195 71 D C 2.103 178.375 176.300 -0.047 0.000 0.997 71 D CA 2.094 56.116 54.000 0.037 0.000 0.840 71 D CB -0.411 40.522 40.800 0.223 0.000 0.947 71 D HN 0.442 nan 8.370 nan 0.000 0.452 72 T N 0.253 114.798 114.554 -0.015 0.000 2.812 72 T HA -0.046 4.304 4.350 -0.000 0.000 0.264 72 T C 2.271 176.903 174.700 -0.114 0.000 1.042 72 T CA 0.452 62.541 62.100 -0.019 0.000 1.140 72 T CB -0.152 68.707 68.868 -0.014 0.000 0.870 72 T HN -0.038 nan 8.240 nan 0.000 0.445 73 V N 1.768 121.569 119.914 -0.189 0.000 2.295 73 V HA -0.166 3.954 4.120 -0.000 0.000 0.246 73 V C 2.503 178.254 176.094 -0.572 0.000 1.049 73 V CA 1.755 63.906 62.300 -0.249 0.000 1.024 73 V CB -0.514 31.241 31.823 -0.112 0.000 0.648 73 V HN 0.444 nan 8.190 nan 0.000 0.447 74 K N 0.431 120.415 120.400 -0.693 0.000 2.057 74 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 74 K C 2.100 178.418 176.600 -0.471 0.000 1.049 74 K CA 1.741 57.540 56.287 -0.812 0.000 0.931 74 K CB -0.627 31.422 32.500 -0.753 0.000 0.714 74 K HN 0.467 nan 8.250 nan 0.000 0.440 75 G N 0.175 108.842 108.800 -0.222 0.000 2.443 75 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 75 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 75 G C 1.389 176.267 174.900 -0.037 0.000 1.131 75 G CA 0.921 46.015 45.100 -0.009 0.000 0.775 75 G HN 0.496 nan 8.290 nan 0.000 0.547 76 S N -0.191 115.440 115.700 -0.116 0.000 2.603 76 S HA 0.065 4.535 4.470 -0.000 0.000 0.220 76 S C 0.947 175.498 174.600 -0.083 0.000 0.967 76 S CA 0.815 58.984 58.200 -0.051 0.000 0.920 76 S CB 0.004 63.186 63.200 -0.030 0.000 0.773 76 S HN 0.251 nan 8.310 nan 0.000 0.529 77 D N 0.561 120.842 120.400 -0.199 0.000 2.751 77 D HA -0.261 4.379 4.640 -0.000 0.000 0.233 77 D C -0.457 175.866 176.300 0.039 0.000 1.149 77 D CA 1.035 54.981 54.000 -0.090 0.000 0.682 77 D CB -2.016 38.826 40.800 0.069 0.000 1.068 77 D HN 0.655 nan 8.370 nan 0.000 0.429 78 Y N -3.811 116.501 120.300 0.019 0.000 4.907 78 Y HA -0.353 4.197 4.550 -0.000 0.000 0.246 78 Y C 1.613 177.518 175.900 0.009 0.000 0.968 78 Y CA 1.229 59.342 58.100 0.021 0.000 1.961 78 Y CB -2.386 36.088 38.460 0.023 0.000 1.487 78 Y HN 0.490 nan 8.280 nan 0.000 0.575 79 I N -1.871 118.738 120.570 0.065 0.000 3.914 79 I HA 0.566 4.736 4.170 -0.000 0.000 0.333 79 I C 1.174 177.296 176.117 0.008 0.000 1.449 79 I CA 0.107 61.387 61.300 -0.035 0.000 1.135 79 I CB 0.214 38.154 38.000 -0.100 0.000 1.073 79 I HN 0.139 nan 8.210 nan 0.000 0.401 80 G N 1.328 110.162 108.800 0.056 0.000 2.370 80 G HA2 0.170 4.130 3.960 -0.000 0.000 0.272 80 G HA3 0.170 4.130 3.960 -0.000 0.000 0.272 80 G C -0.567 174.403 174.900 0.116 0.000 1.208 80 G CA -0.381 44.774 45.100 0.092 0.000 0.856 80 G HN 0.256 nan 8.290 nan 0.000 0.500 81 D N 2.293 122.780 120.400 0.145 0.000 2.382 81 D HA -0.001 4.639 4.640 -0.000 0.000 0.259 81 D C 1.342 177.714 176.300 0.121 0.000 1.224 81 D CA 0.346 54.429 54.000 0.138 0.000 0.894 81 D CB 1.642 42.511 40.800 0.114 0.000 1.127 81 D HN 0.508 nan 8.370 nan 0.000 0.487 82 Q N 1.548 121.432 119.800 0.140 0.000 2.119 82 Q HA -0.147 4.193 4.340 -0.000 0.000 0.201 82 Q C 1.502 177.605 176.000 0.172 0.000 0.972 82 Q CA 0.986 56.894 55.803 0.174 0.000 0.847 82 Q CB 0.170 29.027 28.738 0.198 0.000 0.903 82 Q HN 0.551 nan 8.270 nan 0.000 0.433 83 D N 0.718 121.199 120.400 0.135 0.000 2.117 83 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 83 D C 1.718 178.112 176.300 0.157 0.000 0.987 83 D CA 1.480 55.558 54.000 0.130 0.000 0.829 83 D CB -0.329 40.521 40.800 0.085 0.000 0.961 83 D HN 0.159 nan 8.370 nan 0.000 0.460 84 A N 0.836 123.738 122.820 0.137 0.000 1.898 84 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 84 A C 2.584 180.329 177.584 0.268 0.000 1.181 84 A CA 1.140 53.293 52.037 0.192 0.000 0.620 84 A CB -0.812 18.228 19.000 0.066 0.000 0.819 84 A HN 0.276 nan 8.150 nan 0.000 0.442 85 I N -0.426 120.255 120.570 0.185 0.000 2.286 85 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 85 I C 2.520 178.751 176.117 0.190 0.000 1.115 85 I CA 1.694 63.092 61.300 0.164 0.000 1.392 85 I CB -0.277 37.797 38.000 0.123 0.000 1.065 85 I HN 0.575 nan 8.210 nan 0.000 0.418 86 E N 0.823 121.165 120.200 0.238 0.000 2.058 86 E HA -0.320 4.030 4.350 -0.000 0.000 0.194 86 E C 2.300 178.938 176.600 0.062 0.000 0.997 86 E CA 1.610 58.158 56.400 0.248 0.000 0.801 86 E CB -0.301 29.558 29.700 0.264 0.000 0.746 86 E HN 0.547 nan 8.360 nan 0.000 0.450 87 Y N 0.648 120.947 120.300 -0.001 0.000 2.224 87 Y HA -0.201 4.349 4.550 -0.000 0.000 0.289 87 Y C 2.304 178.115 175.900 -0.148 0.000 1.146 87 Y CA 2.135 60.186 58.100 -0.082 0.000 1.182 87 Y CB -0.113 38.346 38.460 -0.002 0.000 0.983 87 Y HN 0.110 nan 8.280 nan 0.000 0.524 88 M N -1.171 118.448 119.600 0.032 0.000 2.123 88 M HA -0.182 4.298 4.480 -0.000 0.000 0.263 88 M C 1.994 178.212 176.300 -0.136 0.000 1.069 88 M CA 2.078 57.322 55.300 -0.095 0.000 1.133 88 M CB -0.492 32.185 32.600 0.129 0.000 1.356 88 M HN 0.421 nan 8.290 nan 0.000 0.415 89 C N 0.543 119.799 119.300 -0.075 0.000 2.457 89 C HA -0.075 4.385 4.460 -0.000 0.000 0.278 89 C C 2.637 177.604 174.990 -0.039 0.000 1.309 89 C CA 1.149 60.177 59.018 0.017 0.000 1.735 89 C CB -0.972 26.823 27.740 0.093 0.000 1.992 89 C HN 0.594 nan 8.230 nan 0.000 0.493 90 K N 1.361 121.525 120.400 -0.393 0.000 2.025 90 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 90 K C 1.814 178.084 176.600 -0.550 0.000 1.049 90 K CA 2.066 57.845 56.287 -0.848 0.000 0.933 90 K CB -0.725 30.963 32.500 -1.353 0.000 0.714 90 K HN 0.351 nan 8.250 nan 0.000 0.438 91 T N -0.058 114.160 114.554 -0.560 0.000 2.951 91 T HA 0.000 4.350 4.350 -0.000 0.000 0.268 91 T C 1.682 176.189 174.700 -0.323 0.000 1.073 91 T CA 0.995 62.787 62.100 -0.513 0.000 1.134 91 T CB -0.594 67.798 68.868 -0.794 0.000 0.884 91 T HN 0.518 nan 8.240 nan 0.000 0.479 92 G N 2.608 111.266 108.800 -0.238 0.000 2.529 92 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.219 92 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.219 92 G C -0.692 174.140 174.900 -0.112 0.000 1.177 92 G CA 0.748 45.773 45.100 -0.124 0.000 0.773 92 G HN 0.397 nan 8.290 nan 0.000 0.573 93 P HA -0.107 nan 4.420 nan 0.000 0.214 93 P C 1.648 178.867 177.300 -0.134 0.000 1.163 93 P CA 1.680 64.712 63.100 -0.113 0.000 0.889 93 P CB 0.022 31.663 31.700 -0.098 0.000 0.790 94 E N -0.073 120.038 120.200 -0.148 0.000 2.085 94 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 94 E C 1.925 178.439 176.600 -0.144 0.000 0.994 94 E CA 1.858 58.168 56.400 -0.150 0.000 0.801 94 E CB -1.196 28.411 29.700 -0.154 0.000 0.743 94 E HN 0.085 nan 8.360 nan 0.000 0.453 95 A N 0.180 122.918 122.820 -0.136 0.000 1.969 95 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 95 A C 2.052 179.593 177.584 -0.073 0.000 1.169 95 A CA 1.353 53.327 52.037 -0.106 0.000 0.635 95 A CB -0.384 18.550 19.000 -0.111 0.000 0.810 95 A HN 0.312 nan 8.150 nan 0.000 0.445 96 I N -0.244 120.282 120.570 -0.073 0.000 2.480 96 I HA -0.075 4.095 4.170 -0.000 0.000 0.251 96 I C 2.347 178.435 176.117 -0.049 0.000 1.124 96 I CA 0.716 62.001 61.300 -0.025 0.000 1.444 96 I CB -1.412 36.563 38.000 -0.042 0.000 1.098 96 I HN 0.256 nan 8.210 nan 0.000 0.428 97 L N 0.518 121.655 121.223 -0.143 0.000 2.079 97 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 97 L C 2.517 179.193 176.870 -0.322 0.000 1.081 97 L CA 1.436 56.139 54.840 -0.228 0.000 0.752 97 L CB -0.577 41.316 42.059 -0.277 0.000 0.896 97 L HN 0.308 nan 8.230 nan 0.000 0.433 98 E N 0.649 120.701 120.200 -0.247 0.000 2.118 98 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 98 E C 2.327 178.901 176.600 -0.043 0.000 0.992 98 E CA 1.139 57.429 56.400 -0.182 0.000 0.804 98 E CB -0.034 29.601 29.700 -0.109 0.000 0.741 98 E HN 0.469 nan 8.360 nan 0.000 0.458 99 L N 0.812 122.045 121.223 0.016 0.000 2.046 99 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 99 L C 2.805 179.762 176.870 0.145 0.000 1.077 99 L CA 1.072 55.961 54.840 0.082 0.000 0.747 99 L CB -0.526 41.607 42.059 0.122 0.000 0.896 99 L HN 0.225 nan 8.230 nan 0.000 0.432 100 E N 0.230 120.576 120.200 0.243 0.000 2.118 100 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 100 E C 1.981 178.754 176.600 0.288 0.000 0.992 100 E CA 1.523 58.116 56.400 0.322 0.000 0.804 100 E CB -0.095 29.793 29.700 0.313 0.000 0.741 100 E HN 0.640 nan 8.360 nan 0.000 0.458 101 H N -1.077 118.033 119.070 0.066 0.000 2.495 101 H HA 0.024 4.580 4.556 -0.000 0.000 0.287 101 H C 1.850 177.188 175.328 0.017 0.000 1.033 101 H CA 0.618 56.685 56.048 0.031 0.000 1.307 101 H CB 0.119 29.889 29.762 0.013 0.000 1.401 101 H HN 0.155 nan 8.280 nan 0.000 0.555 102 M N -0.476 119.206 119.600 0.137 0.000 2.659 102 M HA 0.066 4.546 4.480 -0.000 0.000 0.243 102 M C 1.342 177.665 176.300 0.039 0.000 1.111 102 M CA 0.798 56.133 55.300 0.059 0.000 1.070 102 M CB 0.887 33.503 32.600 0.028 0.000 1.525 102 M HN 0.479 nan 8.290 nan 0.000 0.517 103 G N 1.098 109.936 108.800 0.062 0.000 2.179 103 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 103 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 103 G C 0.009 174.915 174.900 0.010 0.000 0.990 103 G CA -0.545 44.578 45.100 0.038 0.000 0.646 103 G HN 0.410 nan 8.290 nan 0.000 0.517 104 L N 2.726 123.936 121.223 -0.021 0.000 2.640 104 L HA 0.243 4.583 4.340 -0.000 0.000 0.280 104 L C -1.075 175.697 176.870 -0.164 0.000 1.229 104 L CA -0.543 54.197 54.840 -0.166 0.000 0.919 104 L CB 0.580 42.428 42.059 -0.351 0.000 1.168 104 L HN 0.032 nan 8.230 nan 0.000 0.496 105 P HA 0.065 nan 4.420 nan 0.000 0.225 105 P C -0.519 176.750 177.300 -0.050 0.000 1.813 105 P CA -0.206 62.861 63.100 -0.054 0.000 1.013 105 P CB -0.355 31.330 31.700 -0.025 0.000 1.961 106 F N 0.614 120.592 119.950 0.047 0.000 2.589 106 F HA -0.016 4.510 4.527 -0.000 0.000 0.352 106 F C 1.695 177.530 175.800 0.058 0.000 1.168 106 F CA 0.831 58.865 58.000 0.056 0.000 1.353 106 F CB 0.051 39.083 39.000 0.052 0.000 1.116 106 F HN 0.093 nan 8.300 nan 0.000 0.608 107 S N 2.873 118.758 115.700 0.307 0.000 2.608 107 S HA 0.470 4.940 4.470 -0.000 0.000 0.261 107 S C 0.021 174.736 174.600 0.193 0.000 1.314 107 S CA -0.758 57.545 58.200 0.171 0.000 0.992 107 S CB 0.641 63.899 63.200 0.097 0.000 0.935 107 S HN 0.331 nan 8.310 nan 0.000 0.564 108 R N 0.478 121.033 120.500 0.092 0.000 2.744 108 R HA 0.493 4.833 4.340 -0.000 0.000 0.279 108 R C -0.659 175.690 176.300 0.082 0.000 0.977 108 R CA -0.664 55.496 56.100 0.099 0.000 0.906 108 R CB 0.933 31.272 30.300 0.065 0.000 1.197 108 R HN 0.511 nan 8.270 nan 0.000 0.463 109 L N 1.186 122.477 121.223 0.112 0.000 2.475 109 L HA 0.108 4.448 4.340 -0.000 0.000 0.253 109 L C 1.253 178.153 176.870 0.050 0.000 1.198 109 L CA -0.310 54.589 54.840 0.099 0.000 0.814 109 L CB 0.459 42.574 42.059 0.093 0.000 1.134 109 L HN 0.484 nan 8.230 nan 0.000 0.478 110 D N 0.231 120.656 120.400 0.042 0.000 2.218 110 D HA -0.156 4.484 4.640 -0.000 0.000 0.204 110 D C 1.165 177.479 176.300 0.023 0.000 0.976 110 D CA 1.188 55.204 54.000 0.026 0.000 0.853 110 D CB -0.148 40.666 40.800 0.023 0.000 0.939 110 D HN 0.605 nan 8.370 nan 0.000 0.481 111 D N -1.472 118.943 120.400 0.025 0.000 2.340 111 D HA 0.158 4.798 4.640 -0.000 0.000 0.220 111 D C 1.492 177.803 176.300 0.018 0.000 1.039 111 D CA 0.667 54.678 54.000 0.018 0.000 0.866 111 D CB 0.051 40.860 40.800 0.015 0.000 0.913 111 D HN 0.173 nan 8.370 nan 0.000 0.523 112 G N -0.147 108.667 108.800 0.024 0.000 2.176 112 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.232 112 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.232 112 G C 0.355 175.271 174.900 0.028 0.000 0.986 112 G CA -0.241 44.875 45.100 0.026 0.000 0.643 112 G HN 0.410 nan 8.290 nan 0.000 0.522 113 R N -0.192 120.319 120.500 0.019 0.000 2.560 113 R HA 0.575 4.915 4.340 -0.000 0.000 0.270 113 R C 0.890 177.189 176.300 -0.001 0.000 1.074 113 R CA -0.705 55.393 56.100 -0.003 0.000 1.140 113 R CB 0.707 30.993 30.300 -0.022 0.000 1.073 113 R HN 0.272 nan 8.270 nan 0.000 0.527 114 I N 2.402 122.932 120.570 -0.068 0.000 2.741 114 I HA -0.184 3.986 4.170 -0.000 0.000 0.288 114 I C 0.248 176.339 176.117 -0.044 0.000 1.192 114 I CA 0.441 61.669 61.300 -0.119 0.000 1.426 114 I CB -0.114 37.627 38.000 -0.431 0.000 1.367 114 I HN 0.432 nan 8.210 nan 0.000 0.563 115 Y N 7.659 127.920 120.300 -0.065 0.000 2.442 115 Y HA 0.156 4.705 4.550 -0.000 0.000 0.330 115 Y C -0.118 175.747 175.900 -0.058 0.000 1.129 115 Y CA -0.087 57.993 58.100 -0.034 0.000 1.365 115 Y CB 0.389 38.861 38.460 0.021 0.000 1.233 115 Y HN 0.501 nan 8.280 nan 0.000 0.529 116 Q N 6.287 125.652 119.800 -0.725 0.000 2.365 116 Q HA 0.489 4.829 4.340 -0.000 0.000 0.269 116 Q C -1.091 174.370 176.000 -0.898 0.000 1.061 116 Q CA -1.201 54.195 55.803 -0.679 0.000 0.816 116 Q CB 2.455 30.955 28.738 -0.396 0.000 1.325 116 Q HN 0.775 nan 8.270 nan 0.000 0.446 117 R N 0.474 120.633 120.500 -0.568 0.000 2.832 117 R HA 0.715 5.055 4.340 -0.000 0.000 0.271 117 R C -2.829 173.457 176.300 -0.023 0.000 0.996 117 R CA -2.237 53.708 56.100 -0.258 0.000 0.977 117 R CB 0.595 30.880 30.300 -0.024 0.000 1.168 117 R HN 0.208 nan 8.270 nan 0.000 0.482 118 P HA 0.155 nan 4.420 nan 0.000 0.272 118 P C -1.295 176.177 177.300 0.287 0.000 1.230 118 P CA 0.009 63.191 63.100 0.137 0.000 0.788 118 P CB 0.337 32.097 31.700 0.099 0.000 0.949 119 F N -0.783 119.162 119.950 -0.009 0.000 2.831 119 F HA 0.538 5.065 4.527 0.000 0.000 0.318 119 F C 0.194 175.979 175.800 -0.024 0.000 1.174 119 F CA -0.474 57.517 58.000 -0.015 0.000 0.918 119 F CB 0.992 39.981 39.000 -0.017 0.000 1.364 119 F HN 0.275 nan 8.300 nan 0.000 0.475 120 G N 0.210 108.996 108.800 -0.024 0.000 2.403 120 G HA2 0.452 4.412 3.960 -0.000 0.000 0.259 120 G HA3 0.452 4.412 3.960 -0.000 0.000 0.259 120 G C 0.491 175.400 174.900 0.015 0.000 1.244 120 G CA 0.230 45.280 45.100 -0.082 0.000 0.849 120 G HN 1.659 nan 8.290 nan 0.000 0.532 121 G N 0.934 109.733 108.800 -0.001 0.000 2.204 121 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.244 121 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.244 121 G C 0.053 175.048 174.900 0.159 0.000 1.062 121 G CA 0.140 45.302 45.100 0.102 0.000 0.798 121 G HN 0.846 nan 8.290 nan 0.000 0.496 122 Q N 0.025 119.907 119.800 0.138 0.000 2.310 122 Q HA 0.646 4.986 4.340 -0.000 0.000 0.270 122 Q C -0.175 175.885 176.000 0.101 0.000 1.025 122 Q CA -0.105 55.779 55.803 0.135 0.000 0.772 122 Q CB 2.256 31.070 28.738 0.126 0.000 1.253 122 Q HN 0.788 nan 8.270 nan 0.000 0.450 123 S N 1.639 117.389 115.700 0.083 0.000 2.564 123 S HA 0.612 5.082 4.470 -0.000 0.000 0.274 123 S C -1.022 173.472 174.600 -0.176 0.000 1.124 123 S CA -1.067 57.112 58.200 -0.034 0.000 0.869 123 S CB 1.977 65.168 63.200 -0.014 0.000 1.105 123 S HN 0.427 nan 8.310 nan 0.000 0.472 124 K N 1.081 121.240 120.400 -0.401 0.000 2.098 124 K HA 0.479 4.799 4.320 -0.000 0.000 0.258 124 K C -0.423 175.381 176.600 -1.326 0.000 0.973 124 K CA -0.763 54.955 56.287 -0.949 0.000 0.898 124 K CB 0.294 32.331 32.500 -0.773 0.000 1.057 124 K HN 0.823 nan 8.250 nan 0.000 0.447 125 N N 1.085 118.263 118.700 -2.535 0.000 2.740 125 N HA -0.202 4.538 4.740 -0.000 0.000 0.248 125 N C -1.293 173.699 175.510 -0.863 0.000 1.062 125 N CA 0.512 52.651 53.050 -1.519 0.000 0.704 125 N CB -1.558 36.504 38.487 -0.708 0.000 0.968 125 N HN 0.616 nan 8.380 nan 0.000 0.547 126 F N -1.783 117.652 119.950 -0.857 0.000 2.807 126 F HA -0.143 4.384 4.527 -0.000 0.000 0.297 126 F C 1.406 176.623 175.800 -0.972 0.000 1.024 126 F CA 1.111 58.482 58.000 -1.049 0.000 1.008 126 F CB -1.828 36.693 39.000 -0.799 0.000 1.142 126 F HN 0.479 nan 8.300 nan 0.000 0.829 127 G N -1.024 107.535 108.800 -0.401 0.000 2.131 127 G HA2 0.131 4.091 3.960 -0.000 0.000 0.223 127 G HA3 0.131 4.091 3.960 -0.000 0.000 0.223 127 G C 0.777 175.610 174.900 -0.112 0.000 0.990 127 G CA -0.014 45.050 45.100 -0.060 0.000 0.671 127 G HN 1.375 nan 8.290 nan 0.000 0.521 128 G N -0.616 108.048 108.800 -0.227 0.000 2.928 128 G HA2 0.521 4.481 3.960 -0.000 0.000 0.163 128 G HA3 0.521 4.481 3.960 -0.000 0.000 0.163 128 G C 0.270 175.074 174.900 -0.160 0.000 1.573 128 G CA 0.320 45.299 45.100 -0.202 0.000 1.084 128 G HN 0.583 nan 8.290 nan 0.000 0.569 129 E N -0.128 119.963 120.200 -0.182 0.000 2.436 129 E HA 0.062 4.412 4.350 -0.000 0.000 0.262 129 E C 0.202 176.724 176.600 -0.130 0.000 1.063 129 E CA -0.169 56.146 56.400 -0.141 0.000 0.944 129 E CB 0.425 30.030 29.700 -0.159 0.000 0.950 129 E HN 0.311 nan 8.360 nan 0.000 0.444 130 Q N 1.570 121.325 119.800 -0.075 0.000 2.315 130 Q HA 0.196 4.536 4.340 -0.000 0.000 0.289 130 Q C -1.339 174.629 176.000 -0.053 0.000 1.044 130 Q CA 0.374 56.156 55.803 -0.035 0.000 0.920 130 Q CB 1.037 29.773 28.738 -0.004 0.000 1.214 130 Q HN 0.482 nan 8.270 nan 0.000 0.392 131 A N 2.952 125.781 122.820 0.015 0.000 2.288 131 A HA 0.874 5.194 4.320 -0.000 0.000 0.328 131 A C -1.063 176.648 177.584 0.210 0.000 1.123 131 A CA -0.289 51.819 52.037 0.118 0.000 0.861 131 A CB 1.424 20.535 19.000 0.185 0.000 1.272 131 A HN 0.966 nan 8.150 nan 0.000 0.490 132 A N 0.663 123.712 122.820 0.382 0.000 2.646 132 A HA 0.572 4.892 4.320 -0.000 0.000 0.312 132 A C 0.197 177.748 177.584 -0.056 0.000 1.245 132 A CA -0.434 51.672 52.037 0.115 0.000 0.755 132 A CB 0.060 19.104 19.000 0.073 0.000 1.132 132 A HN 1.041 nan 8.150 nan 0.000 0.458 133 R N 0.395 120.849 120.500 -0.076 0.000 2.572 133 R HA 0.206 4.546 4.340 -0.000 0.000 0.370 133 R C -0.766 175.395 176.300 -0.233 0.000 1.005 133 R CA 0.008 55.997 56.100 -0.186 0.000 1.146 133 R CB 0.181 30.382 30.300 -0.165 0.000 1.390 133 R HN 0.303 nan 8.270 nan 0.000 0.553 134 T N 1.796 116.212 114.554 -0.230 0.000 2.723 134 T HA 0.467 4.817 4.350 -0.000 0.000 0.297 134 T C 0.049 174.593 174.700 -0.259 0.000 0.925 134 T CA -0.226 61.689 62.100 -0.308 0.000 1.030 134 T CB 1.208 69.751 68.868 -0.541 0.000 0.905 134 T HN 0.387 nan 8.240 nan 0.000 0.502 135 A N 3.271 125.969 122.820 -0.204 0.000 2.401 135 A HA 0.740 5.060 4.320 -0.000 0.000 0.259 135 A C 0.374 178.024 177.584 0.109 0.000 1.103 135 A CA -0.561 51.395 52.037 -0.135 0.000 0.789 135 A CB 0.140 18.979 19.000 -0.268 0.000 1.035 135 A HN 1.016 nan 8.150 nan 0.000 0.491 136 A N 1.210 124.189 122.820 0.266 0.000 2.556 136 A HA 0.805 5.125 4.320 -0.000 0.000 0.294 136 A C -0.283 177.533 177.584 0.387 0.000 1.091 136 A CA -0.002 52.224 52.037 0.317 0.000 0.704 136 A CB 1.419 20.573 19.000 0.257 0.000 1.300 136 A HN 2.240 nan 8.150 nan 0.000 0.406 137 A N 1.233 124.172 122.820 0.198 0.000 2.508 137 A HA 0.752 5.072 4.320 -0.000 0.000 0.336 137 A C 0.896 178.535 177.584 0.092 0.000 1.360 137 A CA 0.689 52.793 52.037 0.112 0.000 0.841 137 A CB -0.806 18.189 19.000 -0.008 0.000 1.136 137 A HN 2.829 nan 8.150 nan 0.000 0.489 138 A N 2.416 125.291 122.820 0.091 0.000 5.395 138 A HA -0.279 4.041 4.320 -0.000 0.000 0.332 138 A C 0.821 178.462 177.584 0.095 0.000 1.754 138 A CA 1.942 54.016 52.037 0.062 0.000 0.716 138 A CB -1.316 17.695 19.000 0.019 0.000 1.411 138 A HN 1.569 nan 8.150 nan 0.000 0.398 139 D N -0.372 120.066 120.400 0.064 0.000 2.772 139 D HA 0.372 5.012 4.640 -0.000 0.000 0.272 139 D C 0.394 176.725 176.300 0.052 0.000 1.314 139 D CA -0.024 54.022 54.000 0.077 0.000 0.835 139 D CB -0.269 40.574 40.800 0.072 0.000 1.080 139 D HN 0.592 nan 8.370 nan 0.000 0.482 140 R N -0.317 120.212 120.500 0.048 0.000 2.727 140 R HA 0.226 4.566 4.340 -0.000 0.000 0.410 140 R C 0.513 176.865 176.300 0.087 0.000 1.101 140 R CA -0.215 55.914 56.100 0.049 0.000 1.045 140 R CB 0.344 30.640 30.300 -0.006 0.000 1.380 140 R HN -0.035 nan 8.270 nan 0.000 0.587 141 T N 0.070 114.662 114.554 0.064 0.000 2.821 141 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 141 T C 2.025 176.738 174.700 0.022 0.000 1.046 141 T CA 1.774 63.893 62.100 0.031 0.000 1.139 141 T CB -0.028 68.864 68.868 0.040 0.000 0.871 141 T HN 0.565 nan 8.240 nan 0.000 0.454 142 G N 0.631 109.455 108.800 0.041 0.000 2.440 142 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.218 142 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.218 142 G C 1.246 176.178 174.900 0.053 0.000 1.154 142 G CA 1.348 46.463 45.100 0.024 0.000 0.767 142 G HN 0.655 nan 8.290 nan 0.000 0.552 143 H N 0.999 120.081 119.070 0.019 0.000 2.293 143 H HA 0.113 4.669 4.556 -0.000 0.000 0.300 143 H C 2.714 178.112 175.328 0.117 0.000 1.082 143 H CA 2.196 58.303 56.048 0.097 0.000 1.308 143 H CB -0.338 29.474 29.762 0.084 0.000 1.375 143 H HN 0.269 nan 8.280 nan 0.000 0.495 144 A N 0.813 123.694 122.820 0.100 0.000 1.883 144 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 144 A C 2.448 179.973 177.584 -0.099 0.000 1.186 144 A CA 1.786 53.807 52.037 -0.026 0.000 0.624 144 A CB -1.065 17.898 19.000 -0.063 0.000 0.822 144 A HN 0.530 nan 8.150 nan 0.000 0.444 145 L N -0.957 120.207 121.223 -0.098 0.000 2.017 145 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 145 L C 2.240 179.066 176.870 -0.074 0.000 1.073 145 L CA 2.133 56.917 54.840 -0.093 0.000 0.745 145 L CB -0.667 41.356 42.059 -0.060 0.000 0.894 145 L HN 0.316 nan 8.230 nan 0.000 0.432 146 L N -0.882 120.287 121.223 -0.090 0.000 2.056 146 L HA -0.204 4.136 4.340 -0.000 0.000 0.207 146 L C 2.443 179.207 176.870 -0.177 0.000 1.078 146 L CA 1.906 56.661 54.840 -0.141 0.000 0.749 146 L CB -0.727 41.215 42.059 -0.193 0.000 0.901 146 L HN 0.416 nan 8.230 nan 0.000 0.433 147 H N -1.721 117.255 119.070 -0.157 0.000 2.389 147 H HA -0.107 4.449 4.556 -0.000 0.000 0.299 147 H C 2.047 177.359 175.328 -0.027 0.000 1.081 147 H CA 1.937 57.923 56.048 -0.103 0.000 1.345 147 H CB -0.160 29.453 29.762 -0.249 0.000 1.393 147 H HN 0.312 nan 8.280 nan 0.000 0.520 148 T N 0.524 115.098 114.554 0.033 0.000 2.746 148 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 148 T C 2.115 176.811 174.700 -0.005 0.000 1.039 148 T CA 1.066 63.168 62.100 0.004 0.000 1.142 148 T CB -0.264 68.581 68.868 -0.038 0.000 0.866 148 T HN 0.207 nan 8.240 nan 0.000 0.444 149 L N -0.438 120.777 121.223 -0.014 0.000 2.093 149 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 149 L C 2.389 179.253 176.870 -0.010 0.000 1.085 149 L CA 1.321 56.148 54.840 -0.021 0.000 0.755 149 L CB -0.509 41.535 42.059 -0.025 0.000 0.904 149 L HN 0.260 nan 8.230 nan 0.000 0.435 150 Y N 0.948 121.176 120.300 -0.121 0.000 2.200 150 Y HA -0.277 4.273 4.550 0.000 0.000 0.290 150 Y C 2.653 178.506 175.900 -0.078 0.000 1.137 150 Y CA 1.556 59.576 58.100 -0.134 0.000 1.163 150 Y CB -0.271 38.076 38.460 -0.189 0.000 0.988 150 Y HN 0.177 nan 8.280 nan 0.000 0.518 151 Q N -0.478 119.272 119.800 -0.083 0.000 2.096 151 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 151 Q C 2.181 178.074 176.000 -0.179 0.000 0.982 151 Q CA 1.717 57.437 55.803 -0.137 0.000 0.850 151 Q CB -0.192 28.536 28.738 -0.017 0.000 0.901 151 Q HN 0.492 nan 8.270 nan 0.000 0.422 152 Q N 0.197 119.920 119.800 -0.129 0.000 2.170 152 Q HA -0.087 4.253 4.340 -0.000 0.000 0.203 152 Q C 1.579 177.476 176.000 -0.172 0.000 0.976 152 Q CA 0.922 56.651 55.803 -0.124 0.000 0.858 152 Q CB -0.214 28.477 28.738 -0.078 0.000 0.907 152 Q HN 0.440 nan 8.270 nan 0.000 0.433 153 N N 0.207 118.779 118.700 -0.213 0.000 2.300 153 N HA -0.010 4.730 4.740 -0.000 0.000 0.179 153 N C 1.962 177.293 175.510 -0.298 0.000 1.016 153 N CA 0.407 53.322 53.050 -0.225 0.000 0.876 153 N CB 0.118 38.489 38.487 -0.194 0.000 0.979 153 N HN 0.232 nan 8.380 nan 0.000 0.432 154 L N 1.324 122.298 121.223 -0.415 0.000 1.994 154 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 154 L C 2.550 179.214 176.870 -0.344 0.000 1.071 154 L CA 1.230 55.854 54.840 -0.360 0.000 0.745 154 L CB -0.447 41.390 42.059 -0.370 0.000 0.892 154 L HN 0.112 nan 8.230 nan 0.000 0.431 155 K N 0.755 120.970 120.400 -0.308 0.000 2.160 155 K HA -0.202 4.118 4.320 -0.000 0.000 0.206 155 K C 1.367 177.684 176.600 -0.470 0.000 1.047 155 K CA 2.028 58.113 56.287 -0.335 0.000 0.930 155 K CB -0.082 32.297 32.500 -0.201 0.000 0.720 155 K HN 0.415 nan 8.250 nan 0.000 0.450 156 N N -0.466 118.030 118.700 -0.340 0.000 2.336 156 N HA 0.000 4.740 4.740 -0.000 0.000 0.189 156 N C -0.812 174.594 175.510 -0.172 0.000 1.113 156 N CA 0.053 52.957 53.050 -0.244 0.000 0.858 156 N CB 0.408 38.821 38.487 -0.123 0.000 0.970 156 N HN 0.207 nan 8.380 nan 0.000 0.471 157 H N -1.082 117.943 119.070 -0.075 0.000 2.839 157 H HA -0.127 4.428 4.556 -0.000 0.000 0.298 157 H C -0.546 174.746 175.328 -0.060 0.000 1.224 157 H CA 0.683 56.693 56.048 -0.064 0.000 1.144 157 H CB -2.634 27.104 29.762 -0.041 0.000 1.372 157 H HN 0.166 nan 8.280 nan 0.000 0.408 158 T N 1.435 115.982 114.554 -0.011 0.000 2.934 158 T HA 0.085 4.435 4.350 -0.000 0.000 0.306 158 T C 1.015 175.699 174.700 -0.028 0.000 1.042 158 T CA 0.502 62.587 62.100 -0.025 0.000 1.145 158 T CB 0.687 69.513 68.868 -0.069 0.000 0.982 158 T HN 0.238 nan 8.240 nan 0.000 0.544 159 T N 4.873 119.415 114.554 -0.020 0.000 2.727 159 T HA 0.337 4.687 4.350 -0.000 0.000 0.295 159 T C 0.339 174.950 174.700 -0.149 0.000 0.915 159 T CA -0.127 61.931 62.100 -0.070 0.000 1.066 159 T CB -0.317 68.581 68.868 0.050 0.000 0.891 159 T HN 0.371 nan 8.240 nan 0.000 0.516 160 I N 3.884 124.317 120.570 -0.228 0.000 2.362 160 I HA 0.348 4.518 4.170 -0.000 0.000 0.289 160 I C -0.633 175.291 176.117 -0.322 0.000 0.994 160 I CA -0.800 60.397 61.300 -0.172 0.000 1.158 160 I CB 1.346 39.308 38.000 -0.063 0.000 1.315 160 I HN 0.542 nan 8.210 nan 0.000 0.451 161 F N 4.663 124.524 119.950 -0.148 0.000 2.351 161 F HA 0.210 4.737 4.527 -0.000 0.000 0.362 161 F C 0.989 176.874 175.800 0.141 0.000 1.131 161 F CA -0.231 57.669 58.000 -0.166 0.000 1.187 161 F CB 0.996 39.569 39.000 -0.712 0.000 1.434 161 F HN 0.349 nan 8.300 nan 0.000 0.553 162 S N 2.771 118.691 115.700 0.367 0.000 2.513 162 S HA 0.219 4.689 4.470 -0.000 0.000 0.276 162 S C 0.309 175.178 174.600 0.448 0.000 1.254 162 S CA -0.203 58.202 58.200 0.342 0.000 1.053 162 S CB 0.162 63.540 63.200 0.297 0.000 0.958 162 S HN 0.755 nan 8.310 nan 0.000 0.491 163 E N 1.927 122.325 120.200 0.329 0.000 2.358 163 E HA -0.179 4.170 4.350 -0.000 0.000 0.246 163 E C -1.603 175.086 176.600 0.149 0.000 1.127 163 E CA 0.561 57.091 56.400 0.217 0.000 0.726 163 E CB -1.339 28.474 29.700 0.188 0.000 1.272 163 E HN 0.621 nan 8.360 nan 0.000 0.390 164 W N 0.548 121.906 121.300 0.097 0.000 2.573 164 W HA 0.477 5.137 4.660 0.000 0.000 0.326 164 W C -0.054 176.502 176.519 0.062 0.000 1.049 164 W CA -0.613 56.787 57.345 0.091 0.000 1.220 164 W CB 0.760 30.271 29.460 0.085 0.000 1.373 164 W HN 0.180 nan 8.180 nan 0.000 0.507 165 Y N 3.014 123.394 120.300 0.133 0.000 2.369 165 Y HA 0.636 5.186 4.550 0.000 0.000 0.337 165 Y C 0.189 176.142 175.900 0.088 0.000 0.961 165 Y CA -1.073 57.061 58.100 0.057 0.000 1.186 165 Y CB 0.485 38.928 38.460 -0.028 0.000 1.139 165 Y HN 0.503 nan 8.280 nan 0.000 0.494 166 A N 6.947 129.558 122.820 -0.348 0.000 2.454 166 A HA 0.310 4.630 4.320 -0.000 0.000 0.260 166 A C 0.101 177.552 177.584 -0.221 0.000 1.106 166 A CA -0.194 51.723 52.037 -0.199 0.000 0.780 166 A CB 0.245 19.117 19.000 -0.213 0.000 1.044 166 A HN 1.086 nan 8.150 nan 0.000 0.498 167 L N 1.330 122.588 121.223 0.058 0.000 2.187 167 L HA 0.258 4.598 4.340 -0.000 0.000 0.197 167 L C 0.248 177.178 176.870 0.099 0.000 1.090 167 L CA 0.633 55.570 54.840 0.163 0.000 0.781 167 L CB 0.052 42.229 42.059 0.198 0.000 0.956 167 L HN 0.598 nan 8.230 nan 0.000 0.463 168 D N -1.420 119.028 120.400 0.080 0.000 2.654 168 D HA 0.379 5.019 4.640 -0.000 0.000 0.231 168 D C -1.077 175.256 176.300 0.054 0.000 1.239 168 D CA -0.486 53.549 54.000 0.059 0.000 0.790 168 D CB 2.562 43.400 40.800 0.063 0.000 1.480 168 D HN -0.145 nan 8.370 nan 0.000 0.442 169 L N 0.743 121.990 121.223 0.040 0.000 2.452 169 L HA 0.313 4.653 4.340 -0.000 0.000 0.267 169 L C 0.113 177.004 176.870 0.035 0.000 1.188 169 L CA -0.473 54.395 54.840 0.047 0.000 0.821 169 L CB 0.693 42.773 42.059 0.035 0.000 1.102 169 L HN 0.026 nan 8.230 nan 0.000 0.470 170 V N 2.776 122.718 119.914 0.048 0.000 2.435 170 V HA 0.350 4.470 4.120 -0.000 0.000 0.290 170 V C 0.031 176.131 176.094 0.011 0.000 1.030 170 V CA -0.766 61.526 62.300 -0.013 0.000 0.881 170 V CB 1.533 33.287 31.823 -0.115 0.000 0.983 170 V HN 0.637 nan 8.190 nan 0.000 0.445 171 K N 3.442 123.834 120.400 -0.013 0.000 2.259 171 K HA 0.467 4.787 4.320 -0.000 0.000 0.252 171 K C -0.420 176.176 176.600 -0.007 0.000 0.936 171 K CA -0.750 55.537 56.287 0.000 0.000 0.810 171 K CB 1.865 34.362 32.500 -0.005 0.000 1.143 171 K HN 0.859 nan 8.250 nan 0.000 0.427 172 N N 0.751 119.456 118.700 0.009 0.000 2.405 172 N HA -0.051 4.689 4.740 -0.000 0.000 0.269 172 N C 0.735 176.245 175.510 -0.001 0.000 1.249 172 N CA -0.246 52.808 53.050 0.006 0.000 0.974 172 N CB 0.384 38.885 38.487 0.023 0.000 1.204 172 N HN 0.613 nan 8.380 nan 0.000 0.565 173 Q N -1.364 118.435 119.800 -0.002 0.000 2.364 173 Q HA -0.123 4.217 4.340 -0.000 0.000 0.209 173 Q C -0.341 175.656 176.000 -0.005 0.000 0.977 173 Q CA 1.468 57.268 55.803 -0.005 0.000 0.885 173 Q CB -0.288 28.447 28.738 -0.004 0.000 0.941 173 Q HN 0.543 nan 8.270 nan 0.000 0.464 174 D N 0.398 120.798 120.400 -0.001 0.000 2.349 174 D HA 0.066 4.706 4.640 -0.000 0.000 0.224 174 D C 0.977 177.273 176.300 -0.006 0.000 1.029 174 D CA 0.971 54.969 54.000 -0.003 0.000 0.879 174 D CB 0.478 41.279 40.800 0.001 0.000 0.906 174 D HN 0.568 nan 8.370 nan 0.000 0.528 175 G N 0.736 109.532 108.800 -0.006 0.000 2.159 175 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.256 175 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.256 175 G C 0.538 175.434 174.900 -0.007 0.000 0.977 175 G CA 0.222 45.316 45.100 -0.010 0.000 0.652 175 G HN 0.621 nan 8.290 nan 0.000 0.531 176 A N -0.275 122.547 122.820 0.003 0.000 2.371 176 A HA 0.694 5.014 4.320 -0.000 0.000 0.257 176 A C 0.631 178.231 177.584 0.026 0.000 1.089 176 A CA 0.162 52.206 52.037 0.012 0.000 0.794 176 A CB 1.044 20.057 19.000 0.023 0.000 1.029 176 A HN 1.125 nan 8.150 nan 0.000 0.488 177 V N 2.786 122.720 119.914 0.034 0.000 2.488 177 V HA 0.275 4.395 4.120 -0.000 0.000 0.277 177 V C 0.825 176.977 176.094 0.096 0.000 1.046 177 V CA 0.466 62.801 62.300 0.058 0.000 0.986 177 V CB 1.113 32.970 31.823 0.056 0.000 0.989 177 V HN 0.996 nan 8.190 nan 0.000 0.475 178 V N 1.789 121.778 119.914 0.125 0.000 3.078 178 V HA 0.879 4.999 4.120 -0.000 0.000 0.344 178 V C 0.501 176.753 176.094 0.263 0.000 1.409 178 V CA 0.421 62.824 62.300 0.171 0.000 1.146 178 V CB -0.349 31.576 31.823 0.169 0.000 1.126 178 V HN 1.262 nan 8.190 nan 0.000 0.513 179 G N -0.288 108.657 108.800 0.241 0.000 2.270 179 G HA2 0.329 4.289 3.960 -0.000 0.000 0.268 179 G HA3 0.329 4.289 3.960 -0.000 0.000 0.268 179 G C -0.632 174.437 174.900 0.282 0.000 1.312 179 G CA 0.392 45.664 45.100 0.287 0.000 1.050 179 G HN 1.726 nan 8.290 nan 0.000 0.474 180 C N -2.033 117.474 119.300 0.346 0.000 3.321 180 C HA 0.959 5.419 4.460 -0.000 0.000 0.329 180 C C 0.217 175.431 174.990 0.374 0.000 1.394 180 C CA 0.230 59.401 59.018 0.254 0.000 1.291 180 C CB 1.179 28.990 27.740 0.118 0.000 1.606 180 C HN 1.972 nan 8.230 nan 0.000 0.463 181 T N 0.085 114.796 114.554 0.261 0.000 2.867 181 T HA 0.824 5.174 4.350 -0.000 0.000 0.282 181 T C -0.186 174.691 174.700 0.295 0.000 1.000 181 T CA 0.173 62.453 62.100 0.299 0.000 1.042 181 T CB 1.418 70.401 68.868 0.192 0.000 0.973 181 T HN 2.110 nan 8.240 nan 0.000 0.465 182 A N 2.124 125.194 122.820 0.417 0.000 2.498 182 A HA 0.780 5.100 4.320 -0.000 0.000 0.298 182 A C -1.278 176.584 177.584 0.464 0.000 1.075 182 A CA -0.993 51.303 52.037 0.432 0.000 0.714 182 A CB 1.643 20.928 19.000 0.474 0.000 1.299 182 A HN 0.947 nan 8.150 nan 0.000 0.407 183 L N 1.707 123.131 121.223 0.335 0.000 2.287 183 L HA 0.605 4.945 4.340 -0.000 0.000 0.287 183 L C -0.214 176.572 176.870 -0.140 0.000 1.022 183 L CA -0.408 54.499 54.840 0.113 0.000 0.814 183 L CB 1.037 43.142 42.059 0.077 0.000 1.217 183 L HN 0.830 nan 8.230 nan 0.000 0.420 184 C N 6.347 125.288 119.300 -0.597 0.000 2.555 184 C HA 0.298 4.758 4.460 -0.000 0.000 0.385 184 C C 1.824 176.425 174.990 -0.649 0.000 1.296 184 C CA -0.465 57.770 59.018 -1.305 0.000 1.757 184 C CB -1.294 25.435 27.740 -1.685 0.000 2.445 184 C HN 0.981 nan 8.230 nan 0.000 0.571 185 I N 3.494 123.733 120.570 -0.551 0.000 2.286 185 I HA -0.133 4.037 4.170 -0.000 0.000 0.248 185 I C 2.542 178.366 176.117 -0.487 0.000 1.115 185 I CA 1.549 62.534 61.300 -0.524 0.000 1.392 185 I CB -0.390 37.211 38.000 -0.665 0.000 1.065 185 I HN 0.839 nan 8.210 nan 0.000 0.418 186 E N 0.719 120.754 120.200 -0.275 0.000 2.051 186 E HA -0.244 4.106 4.350 -0.000 0.000 0.192 186 E C 2.063 178.652 176.600 -0.018 0.000 0.991 186 E CA 2.137 58.557 56.400 0.034 0.000 0.799 186 E CB 0.105 29.877 29.700 0.120 0.000 0.748 186 E HN 0.567 nan 8.360 nan 0.000 0.449 187 T N -4.565 109.921 114.554 -0.112 0.000 2.990 187 T HA 0.316 4.666 4.350 -0.000 0.000 0.249 187 T C 1.451 176.101 174.700 -0.083 0.000 1.039 187 T CA 0.718 62.779 62.100 -0.064 0.000 1.036 187 T CB 0.848 69.693 68.868 -0.038 0.000 0.994 187 T HN 0.331 nan 8.240 nan 0.000 0.489 188 G N 1.360 110.070 108.800 -0.150 0.000 2.175 188 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.244 188 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.244 188 G C -0.147 174.700 174.900 -0.088 0.000 0.982 188 G CA 0.218 45.246 45.100 -0.120 0.000 0.641 188 G HN 0.847 nan 8.290 nan 0.000 0.527 189 E N 0.296 120.438 120.200 -0.096 0.000 2.413 189 E HA 0.401 4.751 4.350 -0.000 0.000 0.263 189 E C -0.068 176.538 176.600 0.011 0.000 1.015 189 E CA -0.172 56.217 56.400 -0.020 0.000 0.916 189 E CB 0.730 30.448 29.700 0.031 0.000 0.947 189 E HN 0.154 nan 8.360 nan 0.000 0.440 190 V N 4.909 124.877 119.914 0.089 0.000 2.459 190 V HA 0.398 4.518 4.120 -0.000 0.000 0.295 190 V C -0.270 175.944 176.094 0.200 0.000 1.029 190 V CA -0.640 61.753 62.300 0.155 0.000 0.874 190 V CB 1.762 33.654 31.823 0.114 0.000 0.985 190 V HN 0.479 nan 8.190 nan 0.000 0.438 191 V N 3.937 124.020 119.914 0.282 0.000 3.007 191 V HA 0.427 4.547 4.120 -0.000 0.000 0.311 191 V C -1.414 174.781 176.094 0.168 0.000 1.120 191 V CA -0.888 61.502 62.300 0.149 0.000 0.980 191 V CB 2.402 34.235 31.823 0.016 0.000 1.033 191 V HN 0.746 nan 8.190 nan 0.000 0.429 192 Y N 3.603 123.856 120.300 -0.079 0.000 2.367 192 Y HA 0.595 5.145 4.550 0.000 0.000 0.342 192 Y C -0.918 174.890 175.900 -0.153 0.000 0.979 192 Y CA -1.926 56.157 58.100 -0.028 0.000 1.161 192 Y CB 0.840 39.295 38.460 -0.007 0.000 1.155 192 Y HN 0.470 nan 8.280 nan 0.000 0.503 193 F N 6.496 126.382 119.950 -0.107 0.000 2.368 193 F HA 0.318 4.845 4.527 -0.000 0.000 0.362 193 F C 0.484 176.006 175.800 -0.463 0.000 1.137 193 F CA -0.478 57.354 58.000 -0.280 0.000 1.161 193 F CB 0.649 39.518 39.000 -0.217 0.000 1.265 193 F HN 0.366 nan 8.300 nan 0.000 0.530 194 K N 3.273 123.307 120.400 -0.610 0.000 2.276 194 K HA 0.754 5.074 4.320 -0.000 0.000 0.283 194 K C -0.826 175.727 176.600 -0.077 0.000 1.044 194 K CA -0.248 55.724 56.287 -0.524 0.000 0.944 194 K CB 0.726 32.876 32.500 -0.583 0.000 1.012 194 K HN 0.709 nan 8.250 nan 0.000 0.472 195 A N 3.986 126.823 122.820 0.028 0.000 2.587 195 A HA 0.389 4.709 4.320 -0.000 0.000 0.293 195 A C -0.159 177.473 177.584 0.080 0.000 1.087 195 A CA -0.819 51.262 52.037 0.074 0.000 0.692 195 A CB 1.591 20.640 19.000 0.081 0.000 1.291 195 A HN 0.918 nan 8.150 nan 0.000 0.407 196 R N -0.044 120.497 120.500 0.069 0.000 2.210 196 R HA 0.360 4.700 4.340 -0.000 0.000 0.203 196 R C 0.476 176.846 176.300 0.117 0.000 1.010 196 R CA 1.318 57.467 56.100 0.081 0.000 1.008 196 R CB 0.402 30.737 30.300 0.058 0.000 0.923 196 R HN 0.800 nan 8.270 nan 0.000 0.469 197 A N 0.376 123.234 122.820 0.064 0.000 2.385 197 A HA 0.439 4.759 4.320 -0.000 0.000 0.290 197 A C -0.930 176.672 177.584 0.029 0.000 1.094 197 A CA -0.563 51.502 52.037 0.047 0.000 0.729 197 A CB 1.440 20.222 19.000 -0.363 0.000 1.194 197 A HN -0.011 nan 8.150 nan 0.000 0.442 198 T N 2.366 117.017 114.554 0.160 0.000 2.743 198 T HA 0.468 4.818 4.350 -0.000 0.000 0.292 198 T C -0.324 174.458 174.700 0.137 0.000 0.972 198 T CA -0.189 61.969 62.100 0.097 0.000 0.967 198 T CB 0.824 69.756 68.868 0.106 0.000 0.926 198 T HN 0.432 nan 8.240 nan 0.000 0.459 199 V N 5.795 125.726 119.914 0.029 0.000 2.311 199 V HA 0.320 4.440 4.120 -0.000 0.000 0.275 199 V C 0.198 176.302 176.094 0.016 0.000 1.022 199 V CA -0.820 61.512 62.300 0.052 0.000 0.830 199 V CB 0.794 32.595 31.823 -0.038 0.000 1.012 199 V HN 0.784 nan 8.190 nan 0.000 0.452 200 L N 4.489 125.735 121.223 0.038 0.000 2.361 200 L HA 0.525 4.865 4.340 -0.000 0.000 0.278 200 L C 0.748 177.616 176.870 -0.004 0.000 1.113 200 L CA 0.207 55.046 54.840 -0.002 0.000 0.849 200 L CB 0.908 42.965 42.059 -0.003 0.000 1.155 200 L HN 0.770 nan 8.230 nan 0.000 0.452 201 A N 1.302 124.107 122.820 -0.025 0.000 3.234 201 A HA 0.256 4.576 4.320 -0.000 0.000 0.247 201 A C 0.753 178.321 177.584 -0.026 0.000 0.938 201 A CA -0.166 51.862 52.037 -0.015 0.000 1.039 201 A CB -0.060 18.933 19.000 -0.012 0.000 1.197 201 A HN 0.724 nan 8.150 nan 0.000 0.498 202 T N -3.092 111.441 114.554 -0.036 0.000 3.107 202 T HA 0.473 4.823 4.350 -0.000 0.000 0.249 202 T C 1.203 175.884 174.700 -0.031 0.000 1.096 202 T CA 0.923 62.996 62.100 -0.044 0.000 1.012 202 T CB -0.104 68.727 68.868 -0.062 0.000 0.977 202 T HN 2.097 nan 8.240 nan 0.000 0.527 203 G N 0.254 109.038 108.800 -0.026 0.000 2.693 203 G HA2 0.202 4.162 3.960 -0.000 0.000 0.226 203 G HA3 0.202 4.162 3.960 -0.000 0.000 0.226 203 G C 0.183 175.039 174.900 -0.072 0.000 1.354 203 G CA -0.501 44.582 45.100 -0.028 0.000 0.873 203 G HN 0.872 nan 8.290 nan 0.000 0.562 204 G N -1.891 106.852 108.800 -0.095 0.000 2.531 204 G HA2 0.729 4.689 3.960 -0.000 0.000 0.253 204 G HA3 0.729 4.689 3.960 -0.000 0.000 0.253 204 G C 0.615 175.499 174.900 -0.026 0.000 1.439 204 G CA 0.977 45.997 45.100 -0.133 0.000 1.056 204 G HN 2.231 nan 8.290 nan 0.000 0.555 205 A N -1.504 121.379 122.820 0.105 0.000 2.602 205 A HA 0.530 4.850 4.320 -0.000 0.000 0.238 205 A C 1.541 179.237 177.584 0.186 0.000 0.863 205 A CA 0.913 53.061 52.037 0.185 0.000 1.148 205 A CB -0.034 19.121 19.000 0.258 0.000 1.227 205 A HN 1.302 nan 8.150 nan 0.000 0.460 206 G N 0.406 109.267 108.800 0.101 0.000 2.516 206 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.221 206 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.221 206 G C 1.284 176.159 174.900 -0.041 0.000 1.107 206 G CA 0.638 45.725 45.100 -0.023 0.000 0.747 206 G HN 0.402 nan 8.290 nan 0.000 0.567 207 R N 0.417 120.896 120.500 -0.034 0.000 2.323 207 R HA 0.079 4.419 4.340 -0.000 0.000 0.198 207 R C 2.324 178.599 176.300 -0.042 0.000 0.988 207 R CA 0.365 56.450 56.100 -0.026 0.000 1.041 207 R CB -0.464 29.830 30.300 -0.009 0.000 0.926 207 R HN 0.764 nan 8.270 nan 0.000 0.476 208 I N -3.248 117.264 120.570 -0.095 0.000 3.001 208 I HA -0.042 4.128 4.170 -0.000 0.000 0.268 208 I C 0.156 176.055 176.117 -0.362 0.000 1.267 208 I CA 0.581 61.747 61.300 -0.223 0.000 1.472 208 I CB -0.185 37.631 38.000 -0.308 0.000 1.089 208 I HN -0.201 nan 8.210 nan 0.000 0.468 209 Y N 0.939 121.115 120.300 -0.207 0.000 2.432 209 Y HA 0.274 4.824 4.550 -0.000 0.000 0.322 209 Y C 1.584 177.450 175.900 -0.057 0.000 1.246 209 Y CA -0.319 57.703 58.100 -0.130 0.000 1.268 209 Y CB 0.890 39.255 38.460 -0.158 0.000 1.276 209 Y HN -0.118 nan 8.280 nan 0.000 0.499 210 Q N 0.152 120.053 119.800 0.168 0.000 2.187 210 Q HA 0.002 4.342 4.340 -0.000 0.000 0.199 210 Q C -0.110 175.954 176.000 0.107 0.000 0.957 210 Q CA 0.647 56.514 55.803 0.108 0.000 0.857 210 Q CB 0.355 29.159 28.738 0.110 0.000 0.929 210 Q HN 0.475 nan 8.270 nan 0.000 0.453 211 S N -0.505 115.278 115.700 0.138 0.000 2.594 211 S HA 0.512 4.982 4.470 -0.000 0.000 0.296 211 S C -1.141 173.489 174.600 0.050 0.000 1.124 211 S CA -0.507 57.744 58.200 0.086 0.000 1.011 211 S CB 1.867 65.129 63.200 0.104 0.000 1.016 211 S HN 0.175 nan 8.310 nan 0.000 0.485 212 T N 1.290 115.841 114.554 -0.005 0.000 2.894 212 T HA 0.442 4.792 4.350 -0.000 0.000 0.309 212 T C 1.100 175.775 174.700 -0.043 0.000 1.208 212 T CA 0.099 62.173 62.100 -0.044 0.000 1.016 212 T CB 1.354 70.177 68.868 -0.074 0.000 1.192 212 T HN 0.729 nan 8.240 nan 0.000 0.491 213 T N 0.651 115.209 114.554 0.005 0.000 3.085 213 T HA 0.163 4.513 4.350 -0.000 0.000 0.263 213 T C 0.649 175.364 174.700 0.024 0.000 1.127 213 T CA 0.246 62.373 62.100 0.046 0.000 1.103 213 T CB -0.628 68.364 68.868 0.207 0.000 0.921 213 T HN 0.594 nan 8.240 nan 0.000 0.510 214 N N 1.687 120.313 118.700 -0.123 0.000 2.518 214 N HA 0.465 5.205 4.740 -0.000 0.000 0.266 214 N C 0.234 175.570 175.510 -0.290 0.000 1.196 214 N CA -0.463 52.347 53.050 -0.400 0.000 0.947 214 N CB 0.696 38.952 38.487 -0.385 0.000 1.098 214 N HN 0.444 nan 8.380 nan 0.000 0.450 215 A N 1.613 124.262 122.820 -0.285 0.000 2.475 215 A HA -0.082 4.238 4.320 -0.000 0.000 0.239 215 A C 1.059 178.574 177.584 -0.115 0.000 1.087 215 A CA 0.041 52.032 52.037 -0.077 0.000 0.779 215 A CB 0.091 19.157 19.000 0.112 0.000 1.036 215 A HN 0.800 nan 8.150 nan 0.000 0.506 216 H N 0.869 119.940 119.070 0.003 0.000 2.489 216 H HA -0.151 4.405 4.556 -0.000 0.000 0.295 216 H C 1.694 177.022 175.328 0.001 0.000 1.082 216 H CA 2.160 58.209 56.048 0.001 0.000 1.295 216 H CB -0.146 29.626 29.762 0.016 0.000 1.380 216 H HN 0.738 nan 8.280 nan 0.000 0.548 217 I N -1.412 119.226 120.570 0.114 0.000 3.684 217 I HA 0.038 4.208 4.170 -0.000 0.000 0.304 217 I C -0.190 175.949 176.117 0.037 0.000 1.278 217 I CA 0.137 61.488 61.300 0.085 0.000 1.272 217 I CB -0.102 37.954 38.000 0.093 0.000 1.029 217 I HN -0.188 nan 8.210 nan 0.000 0.458 218 N N 2.491 121.179 118.700 -0.019 0.000 2.739 218 N HA 0.096 4.836 4.740 -0.000 0.000 0.266 218 N C 0.748 176.256 175.510 -0.004 0.000 1.168 218 N CA 0.416 53.438 53.050 -0.048 0.000 1.055 218 N CB 0.397 38.792 38.487 -0.153 0.000 1.393 218 N HN 0.418 nan 8.380 nan 0.000 0.514 219 T N -2.876 111.693 114.554 0.025 0.000 3.174 219 T HA 0.266 4.616 4.350 -0.000 0.000 0.269 219 T C 1.140 175.868 174.700 0.047 0.000 1.017 219 T CA -0.159 61.966 62.100 0.042 0.000 0.899 219 T CB -0.078 68.827 68.868 0.061 0.000 1.077 219 T HN 0.369 nan 8.240 nan 0.000 0.552 220 G N 2.123 110.945 108.800 0.038 0.000 2.283 220 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.280 220 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.280 220 G C 0.464 175.379 174.900 0.025 0.000 1.029 220 G CA 0.330 45.451 45.100 0.035 0.000 0.840 220 G HN 0.502 nan 8.290 nan 0.000 0.505 221 D N 0.004 120.412 120.400 0.013 0.000 2.182 221 D HA -0.081 4.559 4.640 -0.000 0.000 0.201 221 D C 2.421 178.709 176.300 -0.021 0.000 0.986 221 D CA 1.692 55.691 54.000 -0.002 0.000 0.847 221 D CB -0.600 40.160 40.800 -0.066 0.000 0.942 221 D HN 0.572 nan 8.370 nan 0.000 0.467 222 G N 0.441 109.223 108.800 -0.030 0.000 2.403 222 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.216 222 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.216 222 G C 1.861 176.753 174.900 -0.013 0.000 1.154 222 G CA 0.586 45.667 45.100 -0.031 0.000 0.784 222 G HN 0.237 nan 8.290 nan 0.000 0.538 223 V N 1.625 121.535 119.914 -0.006 0.000 2.295 223 V HA -0.069 4.051 4.120 -0.000 0.000 0.246 223 V C 3.148 179.261 176.094 0.031 0.000 1.049 223 V CA 2.051 64.356 62.300 0.009 0.000 1.024 223 V CB -1.149 30.681 31.823 0.012 0.000 0.648 223 V HN 0.413 nan 8.190 nan 0.000 0.447 224 G N -0.744 108.078 108.800 0.037 0.000 2.446 224 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.217 224 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.217 224 G C 1.656 176.585 174.900 0.048 0.000 1.168 224 G CA 1.197 46.329 45.100 0.053 0.000 0.771 224 G HN 0.416 nan 8.290 nan 0.000 0.551 225 M N 0.686 120.305 119.600 0.031 0.000 2.159 225 M HA 0.007 4.487 4.480 -0.000 0.000 0.263 225 M C 3.031 179.345 176.300 0.024 0.000 1.063 225 M CA 1.334 56.649 55.300 0.025 0.000 1.110 225 M CB -0.175 32.427 32.600 0.004 0.000 1.374 225 M HN 0.333 nan 8.290 nan 0.000 0.411 226 A N 0.585 123.416 122.820 0.019 0.000 1.877 226 A HA -0.146 4.173 4.320 -0.000 0.000 0.216 226 A C 2.050 179.654 177.584 0.032 0.000 1.186 226 A CA 1.494 53.541 52.037 0.017 0.000 0.620 226 A CB -0.889 18.116 19.000 0.009 0.000 0.822 226 A HN 0.438 nan 8.150 nan 0.000 0.443 227 I N -0.880 119.725 120.570 0.059 0.000 2.208 227 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 227 I C 2.744 178.896 176.117 0.059 0.000 1.097 227 I CA 1.436 62.791 61.300 0.092 0.000 1.363 227 I CB -0.274 37.820 38.000 0.156 0.000 1.051 227 I HN 0.282 nan 8.210 nan 0.000 0.413 228 R N 0.420 120.950 120.500 0.049 0.000 2.189 228 R HA -0.049 4.291 4.340 -0.000 0.000 0.223 228 R C 2.010 178.321 176.300 0.019 0.000 1.092 228 R CA 1.150 57.271 56.100 0.034 0.000 0.989 228 R CB -0.237 30.087 30.300 0.039 0.000 0.876 228 R HN 0.333 nan 8.270 nan 0.000 0.457 229 A N -0.118 122.712 122.820 0.016 0.000 2.251 229 A HA 0.231 4.551 4.320 -0.000 0.000 0.209 229 A C 1.328 178.908 177.584 -0.006 0.000 1.187 229 A CA 0.685 52.725 52.037 0.005 0.000 0.823 229 A CB 0.031 19.035 19.000 0.006 0.000 0.846 229 A HN 0.416 nan 8.150 nan 0.000 0.486 230 G N -1.480 107.316 108.800 -0.007 0.000 2.143 230 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.249 230 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.249 230 G C 0.151 175.032 174.900 -0.032 0.000 0.981 230 G CA 0.161 45.246 45.100 -0.025 0.000 0.665 230 G HN 0.763 nan 8.290 nan 0.000 0.528 231 V N 3.092 122.995 119.914 -0.019 0.000 2.461 231 V HA 0.432 4.552 4.120 -0.000 0.000 0.275 231 V C -0.988 175.098 176.094 -0.013 0.000 1.047 231 V CA -1.230 61.055 62.300 -0.026 0.000 0.955 231 V CB 1.367 33.176 31.823 -0.024 0.000 0.988 231 V HN 0.240 nan 8.190 nan 0.000 0.471 232 P HA 0.283 nan 4.420 nan 0.000 0.274 232 P C -0.709 176.604 177.300 0.023 0.000 1.237 232 P CA -0.016 63.077 63.100 -0.011 0.000 0.793 232 P CB 1.231 32.903 31.700 -0.047 0.000 0.977 233 V N -1.638 118.327 119.914 0.085 0.000 2.960 233 V HA 0.674 4.794 4.120 -0.000 0.000 0.315 233 V C -0.562 175.554 176.094 0.037 0.000 1.087 233 V CA -0.965 61.362 62.300 0.046 0.000 0.982 233 V CB 1.594 33.447 31.823 0.049 0.000 1.039 233 V HN 0.635 nan 8.190 nan 0.000 0.437 234 Q N 0.266 120.056 119.800 -0.016 0.000 2.394 234 Q HA 0.400 4.740 4.340 -0.000 0.000 0.273 234 Q C -0.821 175.171 176.000 -0.014 0.000 1.089 234 Q CA -0.399 55.397 55.803 -0.011 0.000 0.812 234 Q CB 1.850 30.545 28.738 -0.072 0.000 1.353 234 Q HN 0.949 nan 8.270 nan 0.000 0.438 235 D N 2.758 123.185 120.400 0.045 0.000 2.737 235 D HA -0.204 4.436 4.640 -0.000 0.000 0.233 235 D C 0.710 176.981 176.300 -0.048 0.000 1.155 235 D CA 0.728 54.751 54.000 0.038 0.000 0.667 235 D CB -0.220 40.628 40.800 0.080 0.000 1.060 235 D HN 0.640 nan 8.370 nan 0.000 0.427 236 M N -0.249 119.321 119.600 -0.050 0.000 2.446 236 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 236 M C 2.083 178.377 176.300 -0.011 0.000 1.066 236 M CA 1.275 56.524 55.300 -0.085 0.000 1.087 236 M CB -0.451 32.111 32.600 -0.063 0.000 1.406 236 M HN 0.283 nan 8.290 nan 0.000 0.459 237 E N -0.696 119.511 120.200 0.012 0.000 2.482 237 E HA -0.081 4.269 4.350 -0.000 0.000 0.196 237 E C 0.208 176.916 176.600 0.179 0.000 1.047 237 E CA 0.360 56.826 56.400 0.109 0.000 0.869 237 E CB -0.186 29.459 29.700 -0.091 0.000 0.836 237 E HN 0.268 nan 8.360 nan 0.000 0.520 238 M N 1.431 121.046 119.600 0.024 0.000 2.725 238 M HA 0.189 4.669 4.480 -0.000 0.000 0.322 238 M C -1.302 174.960 176.300 -0.064 0.000 1.393 238 M CA -0.128 55.196 55.300 0.041 0.000 1.452 238 M CB -1.302 31.302 32.600 0.007 0.000 1.242 238 M HN 0.069 nan 8.290 nan 0.000 0.487 239 W N 2.007 123.385 121.300 0.129 0.000 2.329 239 W HA 0.402 5.062 4.660 0.000 0.000 0.312 239 W C 0.548 177.094 176.519 0.044 0.000 1.054 239 W CA -0.514 56.852 57.345 0.035 0.000 1.245 239 W CB 0.897 30.359 29.460 0.003 0.000 1.255 239 W HN 0.461 nan 8.180 nan 0.000 0.436 240 Q N 3.533 123.462 119.800 0.215 0.000 2.293 240 Q HA 0.254 4.594 4.340 -0.000 0.000 0.263 240 Q C -1.191 174.865 176.000 0.094 0.000 1.002 240 Q CA -0.137 55.794 55.803 0.213 0.000 0.910 240 Q CB 0.422 29.303 28.738 0.238 0.000 1.185 240 Q HN 0.416 nan 8.270 nan 0.000 0.401 241 F N 4.075 124.086 119.950 0.100 0.000 2.335 241 F HA 0.163 4.690 4.527 -0.000 0.000 0.365 241 F C 0.691 176.508 175.800 0.030 0.000 1.122 241 F CA -0.725 57.306 58.000 0.053 0.000 1.151 241 F CB 0.513 39.487 39.000 -0.044 0.000 1.282 241 F HN 0.590 nan 8.300 nan 0.000 0.513 242 H N 5.784 124.887 119.070 0.055 0.000 3.064 242 H HA -0.010 4.546 4.556 -0.000 0.000 0.329 242 H C -1.684 173.616 175.328 -0.047 0.000 1.020 242 H CA -0.913 55.060 56.048 -0.124 0.000 1.402 242 H CB 1.479 30.987 29.762 -0.424 0.000 1.379 242 H HN 0.337 nan 8.280 nan 0.000 0.594 243 P HA -0.074 nan 4.420 nan 0.000 0.218 243 P C 0.387 177.753 177.300 0.109 0.000 1.149 243 P CA 1.477 64.570 63.100 -0.012 0.000 0.817 243 P CB 0.188 31.813 31.700 -0.125 0.000 0.785 244 T N -2.846 111.870 114.554 0.270 0.000 3.378 244 T HA 0.617 4.967 4.350 -0.000 0.000 0.359 244 T C 0.471 175.191 174.700 0.033 0.000 1.815 244 T CA -0.860 61.319 62.100 0.132 0.000 1.509 244 T CB -0.016 68.900 68.868 0.080 0.000 1.049 244 T HN -0.027 nan 8.240 nan 0.000 0.705 245 G N 1.598 110.417 108.800 0.032 0.000 2.476 245 G HA2 0.591 4.551 3.960 -0.000 0.000 0.286 245 G HA3 0.591 4.551 3.960 -0.000 0.000 0.286 245 G C -0.084 174.805 174.900 -0.018 0.000 1.177 245 G CA -1.084 44.004 45.100 -0.021 0.000 0.870 245 G HN 0.763 nan 8.290 nan 0.000 0.528 246 I N 1.645 122.191 120.570 -0.039 0.000 2.517 246 I HA 0.180 4.350 4.170 -0.000 0.000 0.285 246 I C 1.256 177.378 176.117 0.008 0.000 1.106 246 I CA -0.181 61.097 61.300 -0.035 0.000 1.402 246 I CB 0.969 38.958 38.000 -0.019 0.000 1.399 246 I HN 0.519 nan 8.210 nan 0.000 0.535 247 A N 5.249 128.068 122.820 -0.002 0.000 2.548 247 A HA 0.385 4.705 4.320 -0.000 0.000 0.247 247 A C 1.317 179.001 177.584 0.168 0.000 1.067 247 A CA 0.605 52.691 52.037 0.082 0.000 0.757 247 A CB -0.361 18.688 19.000 0.082 0.000 0.996 247 A HN 1.240 nan 8.150 nan 0.000 0.504 248 G N 0.650 109.548 108.800 0.163 0.000 2.176 248 G HA2 0.071 4.031 3.960 -0.000 0.000 0.253 248 G HA3 0.071 4.031 3.960 -0.000 0.000 0.253 248 G C 0.722 175.706 174.900 0.141 0.000 0.979 248 G CA 1.080 46.284 45.100 0.173 0.000 0.641 248 G HN 2.138 nan 8.290 nan 0.000 0.530 249 A N -1.965 120.914 122.820 0.099 0.000 2.010 249 A HA 0.669 4.989 4.320 -0.000 0.000 0.193 249 A C 2.585 180.141 177.584 -0.047 0.000 1.659 249 A CA 1.857 53.918 52.037 0.040 0.000 1.175 249 A CB -0.253 18.782 19.000 0.057 0.000 1.301 249 A HN 2.263 nan 8.150 nan 0.000 0.448 250 G N -0.694 108.088 108.800 -0.030 0.000 2.267 250 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.257 250 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.257 250 G C 0.410 175.254 174.900 -0.093 0.000 0.998 250 G CA 0.246 45.322 45.100 -0.041 0.000 0.620 250 G HN 1.117 nan 8.290 nan 0.000 0.529 251 V N 2.255 122.058 119.914 -0.184 0.000 2.617 251 V HA 0.343 4.463 4.120 -0.000 0.000 0.304 251 V C 1.115 177.123 176.094 -0.142 0.000 1.040 251 V CA 0.409 62.568 62.300 -0.236 0.000 1.149 251 V CB 1.173 32.704 31.823 -0.487 0.000 0.914 251 V HN 0.631 nan 8.190 nan 0.000 0.487 252 L N 7.846 128.998 121.223 -0.119 0.000 2.426 252 L HA 0.485 4.825 4.340 -0.000 0.000 0.271 252 L C -0.016 176.770 176.870 -0.140 0.000 1.169 252 L CA 0.367 55.110 54.840 -0.161 0.000 0.836 252 L CB 1.280 43.235 42.059 -0.174 0.000 1.112 252 L HN 0.574 nan 8.230 nan 0.000 0.465 253 V N 1.749 121.567 119.914 -0.160 0.000 2.448 253 V HA 0.443 4.563 4.120 -0.000 0.000 0.295 253 V C 0.308 176.331 176.094 -0.118 0.000 1.025 253 V CA -0.447 61.791 62.300 -0.104 0.000 0.859 253 V CB 0.889 32.672 31.823 -0.066 0.000 0.988 253 V HN 0.926 nan 8.190 nan 0.000 0.431 254 T N 2.153 116.672 114.554 -0.058 0.000 2.933 254 T HA -0.024 4.326 4.350 -0.000 0.000 0.306 254 T C 1.089 175.783 174.700 -0.009 0.000 1.045 254 T CA 1.185 63.288 62.100 0.006 0.000 1.143 254 T CB 0.368 69.296 68.868 0.100 0.000 1.003 254 T HN 1.120 nan 8.240 nan 0.000 0.540 255 E N 2.637 122.817 120.200 -0.033 0.000 2.333 255 E HA -0.123 4.227 4.350 -0.000 0.000 0.200 255 E C 2.021 178.338 176.600 -0.471 0.000 1.010 255 E CA 1.230 57.411 56.400 -0.364 0.000 0.841 255 E CB -0.694 28.540 29.700 -0.778 0.000 0.757 255 E HN 0.931 nan 8.360 nan 0.000 0.508 256 G N 0.338 109.048 108.800 -0.150 0.000 2.450 256 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.220 256 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.220 256 G C 1.608 176.518 174.900 0.016 0.000 1.130 256 G CA 0.957 46.114 45.100 0.095 0.000 0.760 256 G HN 0.421 nan 8.290 nan 0.000 0.557 257 C N 0.334 119.617 119.300 -0.028 0.000 2.413 257 C HA -0.043 4.417 4.460 -0.000 0.000 0.276 257 C C 2.955 177.918 174.990 -0.046 0.000 1.236 257 C CA 1.034 60.029 59.018 -0.039 0.000 1.735 257 C CB -0.895 26.812 27.740 -0.055 0.000 2.031 257 C HN 0.499 nan 8.230 nan 0.000 0.474 258 R N 0.685 121.137 120.500 -0.081 0.000 2.119 258 R HA 0.027 4.367 4.340 -0.000 0.000 0.222 258 R C 2.543 178.820 176.300 -0.038 0.000 1.088 258 R CA 1.274 57.339 56.100 -0.059 0.000 0.984 258 R CB -0.747 29.494 30.300 -0.098 0.000 0.884 258 R HN 0.601 nan 8.270 nan 0.000 0.447 259 G N 1.822 110.578 108.800 -0.073 0.000 2.442 259 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 259 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 259 G C 1.205 176.149 174.900 0.073 0.000 1.141 259 G CA 0.523 45.631 45.100 0.014 0.000 0.763 259 G HN 0.223 nan 8.290 nan 0.000 0.554 260 E N 0.203 120.445 120.200 0.071 0.000 2.502 260 E HA 0.154 4.504 4.350 -0.000 0.000 0.194 260 E C 1.768 178.410 176.600 0.070 0.000 1.062 260 E CA 0.665 57.115 56.400 0.083 0.000 0.867 260 E CB 0.219 29.962 29.700 0.071 0.000 0.888 260 E HN 0.519 nan 8.360 nan 0.000 0.510 261 G N 0.639 109.489 108.800 0.083 0.000 2.227 261 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.168 261 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.168 261 G C 0.601 175.657 174.900 0.260 0.000 1.006 261 G CA -0.292 44.907 45.100 0.164 0.000 0.684 261 G HN 0.450 nan 8.290 nan 0.000 0.489 262 G N -0.040 108.819 108.800 0.099 0.000 2.569 262 G HA2 0.703 4.663 3.960 -0.000 0.000 0.249 262 G HA3 0.703 4.663 3.960 -0.000 0.000 0.249 262 G C -0.289 174.673 174.900 0.103 0.000 1.216 262 G CA 0.232 45.354 45.100 0.036 0.000 0.845 262 G HN 1.396 nan 8.290 nan 0.000 0.568 263 Y N -1.598 118.734 120.300 0.054 0.000 2.625 263 Y HA 0.687 5.237 4.550 -0.000 0.000 0.338 263 Y C -0.908 174.945 175.900 -0.078 0.000 1.123 263 Y CA -1.776 56.295 58.100 -0.049 0.000 1.046 263 Y CB 1.128 39.541 38.460 -0.077 0.000 1.299 263 Y HN 0.420 nan 8.280 nan 0.000 0.464 264 L N 3.134 124.372 121.223 0.026 0.000 2.312 264 L HA 0.591 4.931 4.340 -0.000 0.000 0.281 264 L C -0.590 176.252 176.870 -0.046 0.000 1.070 264 L CA -0.564 54.228 54.840 -0.080 0.000 0.805 264 L CB 1.180 43.092 42.059 -0.246 0.000 1.174 264 L HN 0.571 nan 8.230 nan 0.000 0.434 265 L N 2.514 123.817 121.223 0.133 0.000 2.341 265 L HA 0.522 4.862 4.340 -0.000 0.000 0.267 265 L C -0.360 176.739 176.870 0.380 0.000 1.009 265 L CA -0.934 54.053 54.840 0.244 0.000 0.819 265 L CB 2.043 44.212 42.059 0.183 0.000 1.323 265 L HN 0.671 nan 8.230 nan 0.000 0.425 266 N N 0.674 119.614 118.700 0.401 0.000 2.538 266 N HA 0.170 4.910 4.740 -0.000 0.000 0.292 266 N C 0.435 175.976 175.510 0.052 0.000 1.262 266 N CA -0.839 52.327 53.050 0.194 0.000 0.976 266 N CB 0.360 38.912 38.487 0.109 0.000 1.161 266 N HN 0.590 nan 8.380 nan 0.000 0.598 267 K N -1.015 119.324 120.400 -0.101 0.000 2.281 267 K HA -0.180 4.140 4.320 -0.000 0.000 0.203 267 K C 0.306 176.769 176.600 -0.228 0.000 1.046 267 K CA 1.519 57.684 56.287 -0.203 0.000 0.938 267 K CB -0.533 31.774 32.500 -0.321 0.000 0.737 267 K HN 0.630 nan 8.250 nan 0.000 0.458 268 H N -0.573 118.530 119.070 0.055 0.000 2.551 268 H HA 0.218 4.774 4.556 -0.000 0.000 0.271 268 H C 0.820 176.190 175.328 0.070 0.000 0.984 268 H CA 0.204 56.285 56.048 0.054 0.000 1.164 268 H CB 1.022 30.811 29.762 0.045 0.000 1.437 268 H HN 0.534 nan 8.280 nan 0.000 0.550 269 G N 1.163 110.064 108.800 0.169 0.000 2.143 269 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.248 269 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.248 269 G C 0.071 175.070 174.900 0.164 0.000 0.991 269 G CA 0.228 45.420 45.100 0.154 0.000 0.689 269 G HN 0.536 nan 8.290 nan 0.000 0.522 270 E N 0.166 120.490 120.200 0.207 0.000 2.316 270 E HA 0.292 4.642 4.350 -0.000 0.000 0.275 270 E C 0.829 177.550 176.600 0.202 0.000 1.029 270 E CA -0.766 55.748 56.400 0.189 0.000 0.871 270 E CB 0.295 30.124 29.700 0.215 0.000 1.022 270 E HN 0.344 nan 8.360 nan 0.000 0.418 271 R N 5.597 126.139 120.500 0.070 0.000 3.247 271 R HA 0.023 4.363 4.340 -0.000 0.000 0.212 271 R C 0.629 176.897 176.300 -0.054 0.000 1.604 271 R CA -0.138 55.934 56.100 -0.048 0.000 1.279 271 R CB -0.607 29.565 30.300 -0.212 0.000 1.277 271 R HN 0.553 nan 8.270 nan 0.000 0.669 272 F N 1.005 121.022 119.950 0.112 0.000 2.494 272 F HA -0.085 4.442 4.527 0.000 0.000 0.298 272 F C 1.140 177.082 175.800 0.238 0.000 1.106 272 F CA 0.239 58.336 58.000 0.162 0.000 1.452 272 F CB -0.194 38.960 39.000 0.257 0.000 1.085 272 F HN 0.268 nan 8.300 nan 0.000 0.569 273 M N 1.005 120.495 119.600 -0.184 0.000 2.460 273 M HA -0.081 4.399 4.480 -0.000 0.000 0.263 273 M C 1.793 178.129 176.300 0.062 0.000 1.071 273 M CA 0.925 56.226 55.300 0.002 0.000 1.096 273 M CB -1.162 31.335 32.600 -0.171 0.000 1.408 273 M HN 0.408 nan 8.290 nan 0.000 0.463 274 E N -0.541 119.664 120.200 0.009 0.000 2.152 274 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 274 E C 2.159 178.773 176.600 0.023 0.000 0.983 274 E CA 0.652 57.052 56.400 -0.000 0.000 0.818 274 E CB -0.013 29.661 29.700 -0.043 0.000 0.758 274 E HN 0.432 nan 8.360 nan 0.000 0.467 275 R N -0.145 120.373 120.500 0.029 0.000 2.073 275 R HA -0.106 4.234 4.340 -0.000 0.000 0.229 275 R C 1.637 177.901 176.300 -0.059 0.000 1.120 275 R CA 1.195 57.260 56.100 -0.060 0.000 0.967 275 R CB 0.015 30.220 30.300 -0.159 0.000 0.862 275 R HN 0.195 nan 8.270 nan 0.000 0.436 276 Y N -1.206 119.164 120.300 0.118 0.000 2.475 276 Y HA 0.229 4.779 4.550 -0.000 0.000 0.289 276 Y C 0.497 176.461 175.900 0.106 0.000 1.121 276 Y CA 0.613 58.787 58.100 0.124 0.000 1.257 276 Y CB 0.680 39.244 38.460 0.173 0.000 1.026 276 Y HN 0.081 nan 8.280 nan 0.000 0.555 277 A N -0.709 122.246 122.820 0.226 0.000 3.158 277 A HA 0.411 4.731 4.320 -0.000 0.000 0.302 277 A C -2.271 175.379 177.584 0.111 0.000 1.162 277 A CA -0.968 51.176 52.037 0.178 0.000 0.824 277 A CB 0.246 19.352 19.000 0.177 0.000 1.322 277 A HN -0.045 nan 8.150 nan 0.000 0.510 278 P HA -0.147 nan 4.420 nan 0.000 0.218 278 P C 1.148 178.471 177.300 0.037 0.000 1.148 278 P CA 1.471 64.597 63.100 0.042 0.000 0.822 278 P CB 0.371 32.089 31.700 0.030 0.000 0.784 279 N N -0.684 118.052 118.700 0.061 0.000 2.131 279 N HA -0.005 4.735 4.740 -0.000 0.000 0.190 279 N C 1.666 177.211 175.510 0.058 0.000 1.055 279 N CA 1.477 54.560 53.050 0.055 0.000 0.853 279 N CB -1.017 37.513 38.487 0.072 0.000 1.035 279 N HN -0.085 nan 8.380 nan 0.000 0.440 280 A N 0.141 123.023 122.820 0.104 0.000 2.169 280 A HA 0.073 4.393 4.320 -0.000 0.000 0.212 280 A C 0.821 178.418 177.584 0.021 0.000 1.153 280 A CA 0.520 52.606 52.037 0.080 0.000 0.756 280 A CB -0.276 18.814 19.000 0.149 0.000 0.813 280 A HN 0.314 nan 8.150 nan 0.000 0.471 281 K N -1.421 118.994 120.400 0.025 0.000 1.699 281 K HA -0.300 4.020 4.320 -0.000 0.000 0.127 281 K C 0.404 176.976 176.600 -0.046 0.000 1.157 281 K CA 2.058 58.338 56.287 -0.012 0.000 0.341 281 K CB -1.313 31.166 32.500 -0.036 0.000 0.645 281 K HN 0.404 nan 8.250 nan 0.000 0.848 282 D N 0.862 121.223 120.400 -0.065 0.000 2.363 282 D HA 0.051 4.691 4.640 -0.000 0.000 0.220 282 D C 0.807 177.038 176.300 -0.115 0.000 0.994 282 D CA 0.703 54.648 54.000 -0.091 0.000 0.890 282 D CB 0.049 40.816 40.800 -0.055 0.000 0.906 282 D HN 0.189 nan 8.370 nan 0.000 0.530 283 L N 0.367 121.531 121.223 -0.099 0.000 2.984 283 L HA 0.408 4.748 4.340 -0.000 0.000 0.246 283 L C 0.732 177.499 176.870 -0.172 0.000 1.268 283 L CA -0.645 54.120 54.840 -0.125 0.000 1.054 283 L CB 0.012 42.033 42.059 -0.063 0.000 1.393 283 L HN -0.031 nan 8.230 nan 0.000 0.532 284 A N -0.024 122.654 122.820 -0.238 0.000 2.310 284 A HA 0.567 4.887 4.320 -0.000 0.000 0.260 284 A C 0.884 178.041 177.584 -0.710 0.000 1.112 284 A CA 0.224 51.945 52.037 -0.527 0.000 0.804 284 A CB 0.005 18.797 19.000 -0.347 0.000 1.081 284 A HN 0.297 nan 8.150 nan 0.000 0.499 285 G N -1.221 106.789 108.800 -1.316 0.000 2.554 285 G HA2 0.318 4.278 3.960 -0.000 0.000 0.238 285 G HA3 0.318 4.278 3.960 -0.000 0.000 0.238 285 G C 0.692 175.377 174.900 -0.358 0.000 1.259 285 G CA -0.252 44.441 45.100 -0.679 0.000 0.843 285 G HN 0.780 nan 8.290 nan 0.000 0.582 286 R N 0.076 120.437 120.500 -0.232 0.000 2.081 286 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 286 R C 2.404 178.629 176.300 -0.125 0.000 1.131 286 R CA 1.669 57.648 56.100 -0.202 0.000 0.960 286 R CB -0.091 30.084 30.300 -0.208 0.000 0.856 286 R HN 0.803 nan 8.270 nan 0.000 0.436 287 D N 0.294 120.656 120.400 -0.065 0.000 2.123 287 D HA -0.148 4.492 4.640 -0.000 0.000 0.196 287 D C 1.779 178.040 176.300 -0.065 0.000 0.992 287 D CA 1.211 55.191 54.000 -0.034 0.000 0.833 287 D CB -0.508 40.303 40.800 0.018 0.000 0.954 287 D HN 0.099 nan 8.370 nan 0.000 0.455 288 V N 0.851 120.733 119.914 -0.053 0.000 2.323 288 V HA -0.190 3.930 4.120 -0.000 0.000 0.244 288 V C 2.979 179.025 176.094 -0.081 0.000 1.041 288 V CA 1.185 63.468 62.300 -0.028 0.000 1.025 288 V CB -0.315 31.540 31.823 0.052 0.000 0.656 288 V HN 0.100 nan 8.190 nan 0.000 0.451 289 V N 0.533 120.378 119.914 -0.115 0.000 2.332 289 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 289 V C 2.724 178.766 176.094 -0.086 0.000 1.055 289 V CA 2.100 64.340 62.300 -0.100 0.000 1.038 289 V CB -1.264 30.476 31.823 -0.139 0.000 0.651 289 V HN 0.554 nan 8.190 nan 0.000 0.450 290 A N -0.091 122.664 122.820 -0.108 0.000 1.865 290 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 290 A C 2.403 179.886 177.584 -0.168 0.000 1.191 290 A CA 2.024 53.997 52.037 -0.107 0.000 0.623 290 A CB -0.556 18.390 19.000 -0.091 0.000 0.826 290 A HN 0.485 nan 8.150 nan 0.000 0.444 291 R N -0.315 120.051 120.500 -0.223 0.000 2.081 291 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 291 R C 2.587 178.801 176.300 -0.143 0.000 1.131 291 R CA 1.549 57.499 56.100 -0.250 0.000 0.960 291 R CB -0.388 29.789 30.300 -0.205 0.000 0.856 291 R HN 0.547 nan 8.270 nan 0.000 0.436 292 S N 1.028 116.564 115.700 -0.275 0.000 2.359 292 S HA -0.141 4.329 4.470 -0.000 0.000 0.224 292 S C 1.977 176.328 174.600 -0.415 0.000 1.035 292 S CA 1.248 59.056 58.200 -0.653 0.000 1.018 292 S CB -0.224 62.592 63.200 -0.641 0.000 0.876 292 S HN 0.233 nan 8.310 nan 0.000 0.448 293 I N 1.249 121.741 120.570 -0.129 0.000 2.163 293 I HA -0.209 3.961 4.170 -0.000 0.000 0.243 293 I C 2.296 178.336 176.117 -0.128 0.000 1.085 293 I CA 1.024 62.263 61.300 -0.102 0.000 1.347 293 I CB -0.337 37.699 38.000 0.060 0.000 1.044 293 I HN 0.283 nan 8.210 nan 0.000 0.408 294 M N -0.058 119.508 119.600 -0.056 0.000 2.296 294 M HA -0.118 4.362 4.480 -0.000 0.000 0.265 294 M C 2.334 178.692 176.300 0.097 0.000 1.064 294 M CA 1.701 57.027 55.300 0.043 0.000 1.109 294 M CB -0.904 31.749 32.600 0.088 0.000 1.396 294 M HN 0.229 nan 8.290 nan 0.000 0.430 295 I N -0.285 120.328 120.570 0.073 0.000 2.233 295 I HA -0.235 3.935 4.170 -0.000 0.000 0.243 295 I C 2.391 178.494 176.117 -0.023 0.000 1.093 295 I CA 0.835 62.167 61.300 0.054 0.000 1.380 295 I CB -0.361 37.701 38.000 0.103 0.000 1.067 295 I HN 0.193 nan 8.210 nan 0.000 0.413 296 E N 0.955 121.072 120.200 -0.138 0.000 2.086 296 E HA -0.251 4.099 4.350 -0.000 0.000 0.200 296 E C 2.235 178.754 176.600 -0.135 0.000 1.012 296 E CA 1.663 57.935 56.400 -0.214 0.000 0.812 296 E CB -0.434 28.920 29.700 -0.576 0.000 0.743 296 E HN 0.521 nan 8.360 nan 0.000 0.453 297 I N 0.462 120.963 120.570 -0.114 0.000 2.142 297 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 297 I C 2.586 178.678 176.117 -0.043 0.000 1.078 297 I CA 1.191 62.450 61.300 -0.070 0.000 1.343 297 I CB -0.281 37.696 38.000 -0.039 0.000 1.046 297 I HN 0.013 nan 8.210 nan 0.000 0.405 298 R N 0.695 121.180 120.500 -0.024 0.000 2.139 298 R HA -0.186 4.154 4.340 -0.000 0.000 0.243 298 R C 1.453 177.729 176.300 -0.040 0.000 1.145 298 R CA 1.298 57.380 56.100 -0.029 0.000 0.976 298 R CB -0.279 30.001 30.300 -0.033 0.000 0.866 298 R HN 0.473 nan 8.270 nan 0.000 0.449 299 E N -0.662 119.517 120.200 -0.035 0.000 2.437 299 E HA 0.101 4.451 4.350 -0.000 0.000 0.189 299 E C 0.406 176.995 176.600 -0.017 0.000 1.054 299 E CA 0.192 56.576 56.400 -0.027 0.000 0.874 299 E CB 0.861 30.553 29.700 -0.013 0.000 1.011 299 E HN 0.485 nan 8.360 nan 0.000 0.474 300 G N 2.035 110.818 108.800 -0.028 0.000 2.160 300 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.244 300 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.244 300 G C 0.722 175.603 174.900 -0.032 0.000 1.022 300 G CA 0.156 45.240 45.100 -0.027 0.000 0.741 300 G HN 0.284 nan 8.290 nan 0.000 0.508 301 R N -0.153 120.318 120.500 -0.049 0.000 2.397 301 R HA 0.296 4.636 4.340 -0.000 0.000 0.241 301 R C 1.627 177.842 176.300 -0.140 0.000 0.914 301 R CA 0.276 56.330 56.100 -0.076 0.000 1.071 301 R CB 0.675 30.981 30.300 0.011 0.000 1.116 301 R HN 0.382 nan 8.270 nan 0.000 0.524 302 G N 0.391 109.110 108.800 -0.135 0.000 2.599 302 G HA2 0.274 4.234 3.960 -0.000 0.000 0.264 302 G HA3 0.274 4.234 3.960 -0.000 0.000 0.264 302 G C -0.094 174.684 174.900 -0.203 0.000 1.200 302 G CA -0.461 44.541 45.100 -0.163 0.000 0.896 302 G HN 0.136 nan 8.290 nan 0.000 0.536 303 C N -0.352 118.744 119.300 -0.339 0.000 2.349 303 C HA 0.730 5.190 4.460 -0.000 0.000 0.361 303 C C 0.086 174.869 174.990 -0.345 0.000 1.189 303 C CA -0.619 58.174 59.018 -0.374 0.000 2.155 303 C CB 1.627 29.087 27.740 -0.467 0.000 2.336 303 C HN 0.757 nan 8.230 nan 0.000 0.540 304 D N -1.623 118.754 120.400 -0.039 0.000 2.687 304 D HA 0.764 5.404 4.640 -0.000 0.000 0.264 304 D C 0.142 176.671 176.300 0.382 0.000 1.091 304 D CA 0.740 54.844 54.000 0.172 0.000 1.123 304 D CB 2.146 42.999 40.800 0.088 0.000 1.407 304 D HN 1.051 nan 8.370 nan 0.000 0.591 305 G N -0.432 108.538 108.800 0.282 0.000 2.302 305 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.276 305 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.276 305 G C -2.205 172.661 174.900 -0.056 0.000 1.316 305 G CA -0.270 44.909 45.100 0.131 0.000 0.988 305 G HN 0.360 nan 8.290 nan 0.000 0.479 306 P HA -0.064 nan 4.420 nan 0.000 0.217 306 P C 1.413 178.525 177.300 -0.313 0.000 1.151 306 P CA 1.981 64.773 63.100 -0.512 0.000 0.849 306 P CB -0.025 31.133 31.700 -0.903 0.000 0.787 307 W N -0.393 120.934 121.300 0.046 0.000 2.800 307 W HA 0.291 4.951 4.660 0.000 0.000 0.249 307 W C 1.074 177.640 176.519 0.078 0.000 1.294 307 W CA 0.916 58.279 57.345 0.030 0.000 1.402 307 W CB -1.058 28.349 29.460 -0.088 0.000 1.126 307 W HN 0.044 nan 8.180 nan 0.000 0.652 308 G N 0.503 109.497 108.800 0.324 0.000 2.757 308 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.638 308 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.638 308 G C -2.912 172.197 174.900 0.349 0.000 1.344 308 G CA -1.380 43.876 45.100 0.259 0.000 0.855 308 G HN -0.246 nan 8.290 nan 0.000 0.537 309 P HA 0.270 nan 4.420 nan 0.000 0.265 309 P C 0.037 177.462 177.300 0.209 0.000 1.187 309 P CA 0.963 64.148 63.100 0.142 0.000 0.766 309 P CB 0.388 32.131 31.700 0.072 0.000 0.820 310 H N 0.129 119.236 119.070 0.061 0.000 2.917 310 H HA 0.711 5.267 4.556 -0.000 0.000 0.299 310 H C -1.887 173.456 175.328 0.024 0.000 1.418 310 H CA -1.186 54.885 56.048 0.038 0.000 1.138 310 H CB 0.511 30.287 29.762 0.023 0.000 1.830 310 H HN 0.433 nan 8.280 nan 0.000 0.514 311 A N 1.226 124.134 122.820 0.146 0.000 2.322 311 A HA 0.557 4.877 4.320 -0.000 0.000 0.327 311 A C -0.483 177.240 177.584 0.233 0.000 1.134 311 A CA -1.003 51.118 52.037 0.140 0.000 0.831 311 A CB 1.245 20.383 19.000 0.230 0.000 1.288 311 A HN 0.497 nan 8.150 nan 0.000 0.472 312 K N 0.796 121.299 120.400 0.170 0.000 2.201 312 K HA 0.375 4.695 4.320 -0.000 0.000 0.278 312 K C -1.354 175.270 176.600 0.040 0.000 1.027 312 K CA -0.409 55.935 56.287 0.095 0.000 0.909 312 K CB 1.505 34.048 32.500 0.071 0.000 1.062 312 K HN 0.473 nan 8.250 nan 0.000 0.465 313 L N 3.327 124.534 121.223 -0.027 0.000 2.283 313 L HA 0.247 4.587 4.340 -0.000 0.000 0.281 313 L C -0.110 176.688 176.870 -0.120 0.000 1.033 313 L CA -0.119 54.680 54.840 -0.069 0.000 0.848 313 L CB 0.594 42.615 42.059 -0.063 0.000 1.226 313 L HN 0.433 nan 8.230 nan 0.000 0.429 314 K N 4.956 125.241 120.400 -0.192 0.000 2.276 314 K HA 0.318 4.638 4.320 -0.000 0.000 0.285 314 K C -0.069 176.403 176.600 -0.213 0.000 1.062 314 K CA -0.203 55.950 56.287 -0.223 0.000 0.918 314 K CB 0.621 32.914 32.500 -0.345 0.000 1.055 314 K HN 0.858 nan 8.250 nan 0.000 0.477 315 L N 3.229 124.347 121.223 -0.174 0.000 2.840 315 L HA 0.067 4.407 4.340 -0.000 0.000 0.249 315 L C 1.264 177.931 176.870 -0.337 0.000 1.119 315 L CA 0.050 54.721 54.840 -0.281 0.000 0.930 315 L CB 0.211 42.158 42.059 -0.186 0.000 1.295 315 L HN 0.725 nan 8.230 nan 0.000 0.534 316 D N -0.421 119.892 120.400 -0.146 0.000 2.265 316 D HA -0.291 4.349 4.640 -0.000 0.000 0.208 316 D C 1.899 178.154 176.300 -0.075 0.000 0.977 316 D CA 1.464 55.413 54.000 -0.085 0.000 0.871 316 D CB -0.326 40.465 40.800 -0.015 0.000 0.925 316 D HN 0.527 nan 8.370 nan 0.000 0.485 317 H N 0.406 119.451 119.070 -0.042 0.000 2.546 317 H HA 0.069 4.625 4.556 -0.000 0.000 0.277 317 H C 1.783 177.112 175.328 0.002 0.000 1.004 317 H CA 0.369 56.413 56.048 -0.006 0.000 1.231 317 H CB -0.371 29.404 29.762 0.021 0.000 1.382 317 H HN 0.277 nan 8.280 nan 0.000 0.580 318 L N 0.562 121.529 121.223 -0.427 0.000 2.313 318 L HA 0.136 4.476 4.340 -0.000 0.000 0.214 318 L C 0.939 177.752 176.870 -0.095 0.000 1.119 318 L CA 0.632 55.332 54.840 -0.233 0.000 0.809 318 L CB -0.295 41.603 42.059 -0.267 0.000 0.933 318 L HN 0.562 nan 8.230 nan 0.000 0.449 319 G N 0.436 109.187 108.800 -0.081 0.000 2.719 319 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.686 319 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.686 319 G C 0.271 175.144 174.900 -0.044 0.000 1.201 319 G CA 0.009 45.084 45.100 -0.040 0.000 0.768 319 G HN 0.110 nan 8.290 nan 0.000 0.629 320 K N 0.231 120.613 120.400 -0.030 0.000 2.063 320 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 320 K C 2.127 178.709 176.600 -0.029 0.000 1.048 320 K CA 2.110 58.380 56.287 -0.029 0.000 0.928 320 K CB -0.137 32.352 32.500 -0.019 0.000 0.713 320 K HN 0.669 nan 8.250 nan 0.000 0.442 321 E N 0.052 120.236 120.200 -0.026 0.000 2.031 321 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 321 E C 1.907 178.488 176.600 -0.033 0.000 0.994 321 E CA 1.378 57.762 56.400 -0.026 0.000 0.800 321 E CB 0.126 29.814 29.700 -0.020 0.000 0.752 321 E HN 0.144 nan 8.360 nan 0.000 0.447 322 V N 1.304 121.197 119.914 -0.034 0.000 2.427 322 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 322 V C 2.418 178.487 176.094 -0.041 0.000 1.051 322 V CA 1.279 63.557 62.300 -0.038 0.000 1.048 322 V CB -0.388 31.416 31.823 -0.031 0.000 0.666 322 V HN 0.318 nan 8.190 nan 0.000 0.456 323 L N -0.378 120.817 121.223 -0.046 0.000 2.017 323 L HA -0.204 4.135 4.340 -0.000 0.000 0.208 323 L C 2.548 179.397 176.870 -0.036 0.000 1.073 323 L CA 1.843 56.655 54.840 -0.046 0.000 0.745 323 L CB -0.535 41.491 42.059 -0.056 0.000 0.894 323 L HN 0.346 nan 8.230 nan 0.000 0.432 324 E N -0.979 119.200 120.200 -0.035 0.000 2.208 324 E HA -0.168 4.181 4.350 -0.000 0.000 0.193 324 E C 2.290 178.870 176.600 -0.034 0.000 0.988 324 E CA 1.144 57.526 56.400 -0.031 0.000 0.828 324 E CB 0.088 29.770 29.700 -0.029 0.000 0.763 324 E HN 0.354 nan 8.360 nan 0.000 0.478 325 S N 0.435 116.111 115.700 -0.041 0.000 2.371 325 S HA -0.021 4.449 4.470 -0.000 0.000 0.221 325 S C 1.847 176.411 174.600 -0.059 0.000 1.036 325 S CA 0.548 58.716 58.200 -0.053 0.000 0.965 325 S CB 0.182 63.343 63.200 -0.066 0.000 0.845 325 S HN 0.095 nan 8.310 nan 0.000 0.475 326 R N -0.309 120.162 120.500 -0.049 0.000 2.282 326 R HA 0.412 4.752 4.340 -0.000 0.000 0.195 326 R C 0.357 176.668 176.300 0.019 0.000 0.909 326 R CA 0.283 56.368 56.100 -0.025 0.000 1.039 326 R CB 0.252 30.542 30.300 -0.016 0.000 1.015 326 R HN 0.347 nan 8.270 nan 0.000 0.513 327 L N 1.308 122.532 121.223 0.002 0.000 3.291 327 L HA 0.255 4.595 4.340 -0.000 0.000 0.307 327 L C -1.809 175.056 176.870 -0.007 0.000 1.303 327 L CA -0.943 53.902 54.840 0.008 0.000 0.949 327 L CB 1.328 43.387 42.059 0.001 0.000 1.375 327 L HN -0.095 nan 8.230 nan 0.000 0.596 328 P HA -0.132 nan 4.420 nan 0.000 0.220 328 P C 1.532 178.821 177.300 -0.017 0.000 1.148 328 P CA 1.433 64.521 63.100 -0.020 0.000 0.803 328 P CB 0.327 32.011 31.700 -0.026 0.000 0.782 329 G N 1.052 109.845 108.800 -0.012 0.000 2.403 329 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 329 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 329 G C 1.501 176.403 174.900 0.004 0.000 1.154 329 G CA 0.812 45.907 45.100 -0.008 0.000 0.784 329 G HN 0.403 nan 8.290 nan 0.000 0.538 330 I N -1.155 119.415 120.570 0.001 0.000 2.617 330 I HA 0.130 4.300 4.170 -0.000 0.000 0.256 330 I C 2.341 178.455 176.117 -0.006 0.000 1.167 330 I CA 0.675 61.974 61.300 -0.001 0.000 1.469 330 I CB -0.272 37.721 38.000 -0.013 0.000 1.098 330 I HN 0.023 nan 8.210 nan 0.000 0.436 331 L N 0.749 121.964 121.223 -0.013 0.000 2.012 331 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 331 L C 2.697 179.560 176.870 -0.012 0.000 1.073 331 L CA 1.940 56.769 54.840 -0.018 0.000 0.748 331 L CB -0.820 41.226 42.059 -0.022 0.000 0.891 331 L HN 0.332 nan 8.230 nan 0.000 0.431 332 E N 0.216 120.412 120.200 -0.008 0.000 2.031 332 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 332 E C 2.346 178.955 176.600 0.016 0.000 0.994 332 E CA 1.144 57.539 56.400 -0.008 0.000 0.800 332 E CB -0.179 29.517 29.700 -0.006 0.000 0.752 332 E HN 0.380 nan 8.360 nan 0.000 0.447 333 L N 0.514 121.778 121.223 0.069 0.000 2.042 333 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 333 L C 2.665 179.630 176.870 0.159 0.000 1.076 333 L CA 1.082 56.032 54.840 0.184 0.000 0.749 333 L CB -0.467 41.675 42.059 0.138 0.000 0.893 333 L HN 0.145 nan 8.230 nan 0.000 0.432 334 S N -0.219 115.514 115.700 0.054 0.000 2.368 334 S HA -0.142 4.328 4.470 -0.000 0.000 0.224 334 S C 2.127 176.722 174.600 -0.008 0.000 1.029 334 S CA 1.059 59.270 58.200 0.020 0.000 0.988 334 S CB -0.035 63.153 63.200 -0.019 0.000 0.838 334 S HN 0.314 nan 8.310 nan 0.000 0.462 335 R N -0.037 120.444 120.500 -0.032 0.000 2.096 335 R HA -0.016 4.324 4.340 -0.000 0.000 0.235 335 R C 2.402 178.586 176.300 -0.194 0.000 1.127 335 R CA 1.914 57.977 56.100 -0.063 0.000 0.968 335 R CB -0.656 29.618 30.300 -0.044 0.000 0.861 335 R HN 0.374 nan 8.270 nan 0.000 0.440 336 T N -0.297 114.113 114.554 -0.241 0.000 2.896 336 T HA 0.004 4.354 4.350 -0.000 0.000 0.263 336 T C 0.956 175.227 174.700 -0.715 0.000 1.050 336 T CA 1.058 62.850 62.100 -0.513 0.000 1.140 336 T CB 0.006 68.486 68.868 -0.647 0.000 0.877 336 T HN 0.093 nan 8.240 nan 0.000 0.457 337 F N -0.049 119.796 119.950 -0.175 0.000 2.724 337 F HA 0.555 5.082 4.527 -0.000 0.000 0.306 337 F C 1.922 177.703 175.800 -0.032 0.000 1.100 337 F CA -0.350 57.587 58.000 -0.105 0.000 1.255 337 F CB 0.295 39.274 39.000 -0.034 0.000 1.072 337 F HN 0.103 nan 8.300 nan 0.000 0.589 338 A N -2.052 120.829 122.820 0.101 0.000 2.358 338 A HA 0.224 4.544 4.320 -0.000 0.000 0.223 338 A C 0.386 178.208 177.584 0.396 0.000 1.218 338 A CA 0.036 52.241 52.037 0.280 0.000 0.942 338 A CB -0.378 18.669 19.000 0.078 0.000 1.005 338 A HN 0.363 nan 8.150 nan 0.000 0.514 339 H N -0.999 118.184 119.070 0.189 0.000 2.741 339 H HA -0.139 4.417 4.556 0.000 0.000 0.305 339 H C -0.699 174.726 175.328 0.161 0.000 1.169 339 H CA 1.020 57.152 56.048 0.139 0.000 1.144 339 H CB -2.076 27.757 29.762 0.119 0.000 1.397 339 H HN 0.251 nan 8.280 nan 0.000 0.409 340 V N 1.078 121.090 119.914 0.163 0.000 2.588 340 V HA 0.143 4.263 4.120 -0.000 0.000 0.304 340 V C 0.189 176.303 176.094 0.034 0.000 1.042 340 V CA -0.808 61.553 62.300 0.101 0.000 0.877 340 V CB 2.579 34.412 31.823 0.016 0.000 0.996 340 V HN 0.209 nan 8.190 nan 0.000 0.425 341 D N 6.335 126.754 120.400 0.031 0.000 2.380 341 D HA 0.369 5.009 4.640 -0.000 0.000 0.230 341 D C -1.740 174.551 176.300 -0.014 0.000 1.154 341 D CA -2.135 51.868 54.000 0.007 0.000 0.859 341 D CB 2.095 42.904 40.800 0.014 0.000 1.045 341 D HN 0.175 nan 8.370 nan 0.000 0.495 342 P HA -0.117 nan 4.420 nan 0.000 0.223 342 P C 1.334 178.602 177.300 -0.053 0.000 1.144 342 P CA 0.421 63.490 63.100 -0.052 0.000 0.783 342 P CB 0.368 32.033 31.700 -0.059 0.000 0.771 343 V N 0.040 119.931 119.914 -0.038 0.000 2.626 343 V HA -0.165 3.954 4.120 -0.000 0.000 0.252 343 V C 1.774 177.854 176.094 -0.024 0.000 1.067 343 V CA 1.736 64.014 62.300 -0.036 0.000 1.081 343 V CB -0.884 30.924 31.823 -0.025 0.000 0.686 343 V HN 0.284 nan 8.190 nan 0.000 0.468 344 K N -1.062 119.331 120.400 -0.013 0.000 2.440 344 K HA 0.313 4.633 4.320 -0.000 0.000 0.207 344 K C -0.090 176.513 176.600 0.004 0.000 1.112 344 K CA -0.002 56.286 56.287 0.001 0.000 1.036 344 K CB 1.127 33.634 32.500 0.012 0.000 0.935 344 K HN 0.303 nan 8.250 nan 0.000 0.564 345 E N 1.012 121.206 120.200 -0.009 0.000 2.390 345 E HA 0.345 4.695 4.350 -0.000 0.000 0.277 345 E C -2.954 173.616 176.600 -0.050 0.000 0.939 345 E CA -2.354 54.038 56.400 -0.014 0.000 0.769 345 E CB 2.055 31.758 29.700 0.006 0.000 1.251 345 E HN -0.205 nan 8.360 nan 0.000 0.450 346 P HA 0.234 nan 4.420 nan 0.000 0.271 346 P C -0.149 177.058 177.300 -0.155 0.000 1.218 346 P CA -0.105 62.939 63.100 -0.093 0.000 0.780 346 P CB 0.492 32.154 31.700 -0.063 0.000 0.901 347 I N 4.256 124.729 120.570 -0.161 0.000 2.371 347 I HA 0.199 4.369 4.170 -0.000 0.000 0.290 347 I C -1.876 174.062 176.117 -0.298 0.000 1.028 347 I CA -2.410 58.755 61.300 -0.226 0.000 1.345 347 I CB 0.919 38.828 38.000 -0.152 0.000 1.407 347 I HN 0.139 nan 8.210 nan 0.000 0.501 348 P HA 0.089 nan 4.420 nan 0.000 0.269 348 P C -0.583 176.516 177.300 -0.334 0.000 1.252 348 P CA 0.058 62.719 63.100 -0.731 0.000 0.780 348 P CB 0.710 31.403 31.700 -1.679 0.000 0.829 349 V N 2.715 122.582 119.914 -0.079 0.000 2.960 349 V HA 0.763 4.883 4.120 -0.000 0.000 0.315 349 V C -0.517 175.626 176.094 0.081 0.000 1.087 349 V CA -1.224 61.073 62.300 -0.005 0.000 0.982 349 V CB 2.605 34.430 31.823 0.004 0.000 1.039 349 V HN 0.468 nan 8.190 nan 0.000 0.437 350 I N 1.616 122.230 120.570 0.074 0.000 2.841 350 I HA 0.607 4.777 4.170 -0.000 0.000 0.298 350 I C -2.865 173.304 176.117 0.086 0.000 1.304 350 I CA -2.366 58.988 61.300 0.089 0.000 1.019 350 I CB 3.211 41.273 38.000 0.104 0.000 1.282 350 I HN 0.549 nan 8.210 nan 0.000 0.432 351 P HA 0.125 nan 4.420 nan 0.000 0.264 351 P C -1.439 175.968 177.300 0.179 0.000 1.183 351 P CA 0.324 63.490 63.100 0.111 0.000 0.763 351 P CB 0.413 32.137 31.700 0.039 0.000 0.807 352 T N 2.158 116.856 114.554 0.239 0.000 2.952 352 T HA 0.168 4.518 4.350 -0.000 0.000 0.305 352 T C -0.644 174.130 174.700 0.124 0.000 1.064 352 T CA -0.365 61.860 62.100 0.208 0.000 1.008 352 T CB 0.891 69.821 68.868 0.104 0.000 1.078 352 T HN 0.429 nan 8.240 nan 0.000 0.459 353 C N 3.525 122.758 119.300 -0.112 0.000 2.523 353 C HA 0.175 4.635 4.460 -0.000 0.000 0.406 353 C C 1.435 176.297 174.990 -0.214 0.000 1.449 353 C CA 0.985 59.567 59.018 -0.727 0.000 1.588 353 C CB -1.312 25.792 27.740 -1.060 0.000 2.514 353 C HN 1.151 nan 8.230 nan 0.000 0.606 354 H N 2.368 121.312 119.070 -0.210 0.000 2.312 354 H HA 0.289 4.845 4.556 -0.000 0.000 0.215 354 H C -0.751 174.688 175.328 0.185 0.000 0.870 354 H CA 0.594 56.668 56.048 0.043 0.000 0.982 354 H CB 0.319 30.168 29.762 0.145 0.000 1.330 354 H HN 0.748 nan 8.280 nan 0.000 0.399 355 Y N 0.803 121.103 120.300 -0.001 0.000 2.544 355 Y HA 0.346 4.896 4.550 -0.000 0.000 0.342 355 Y C -1.509 174.274 175.900 -0.195 0.000 1.062 355 Y CA -1.267 56.762 58.100 -0.118 0.000 1.023 355 Y CB 1.651 40.052 38.460 -0.098 0.000 1.308 355 Y HN 0.127 nan 8.280 nan 0.000 0.457 356 M N 7.506 126.375 119.600 -1.220 0.000 2.152 356 M HA 0.246 4.726 4.480 -0.000 0.000 0.354 356 M C -0.494 175.205 176.300 -1.001 0.000 1.173 356 M CA -0.391 54.092 55.300 -1.362 0.000 1.110 356 M CB 0.818 32.636 32.600 -1.303 0.000 1.366 356 M HN 1.063 nan 8.290 nan 0.000 0.415 357 M N 2.708 122.011 119.600 -0.496 0.000 2.149 357 M HA 0.012 4.492 4.480 -0.000 0.000 0.261 357 M C 1.334 177.526 176.300 -0.180 0.000 1.064 357 M CA 1.594 56.836 55.300 -0.097 0.000 1.102 357 M CB -0.463 32.157 32.600 0.034 0.000 1.369 357 M HN 0.761 nan 8.290 nan 0.000 0.408 358 G N -1.214 107.374 108.800 -0.352 0.000 2.611 358 G HA2 0.488 4.448 3.960 -0.000 0.000 0.273 358 G HA3 0.488 4.448 3.960 -0.000 0.000 0.273 358 G C 0.193 174.946 174.900 -0.245 0.000 1.305 358 G CA -0.114 44.831 45.100 -0.258 0.000 1.010 358 G HN 0.666 nan 8.290 nan 0.000 0.509 359 G N -1.847 106.852 108.800 -0.168 0.000 2.320 359 G HA2 0.208 4.168 3.960 -0.000 0.000 0.274 359 G HA3 0.208 4.168 3.960 -0.000 0.000 0.274 359 G C -0.858 173.984 174.900 -0.097 0.000 1.324 359 G CA -0.664 44.355 45.100 -0.135 0.000 0.957 359 G HN 0.766 nan 8.290 nan 0.000 0.481 360 I N 3.255 123.773 120.570 -0.086 0.000 2.452 360 I HA 0.264 4.434 4.170 -0.000 0.000 0.287 360 I C -1.635 174.417 176.117 -0.108 0.000 1.079 360 I CA -1.506 59.748 61.300 -0.078 0.000 1.387 360 I CB 1.322 39.285 38.000 -0.062 0.000 1.404 360 I HN 0.184 nan 8.210 nan 0.000 0.522 361 P HA 0.076 nan 4.420 nan 0.000 0.267 361 P C -0.562 176.646 177.300 -0.154 0.000 1.205 361 P CA 0.001 63.007 63.100 -0.157 0.000 0.765 361 P CB 0.659 32.267 31.700 -0.153 0.000 0.828 362 T N -0.062 114.385 114.554 -0.178 0.000 2.896 362 T HA 0.514 4.864 4.350 -0.000 0.000 0.297 362 T C -0.167 174.424 174.700 -0.182 0.000 1.108 362 T CA -1.054 60.945 62.100 -0.170 0.000 1.004 362 T CB 1.758 70.531 68.868 -0.158 0.000 1.159 362 T HN 0.146 nan 8.240 nan 0.000 0.499 363 K N 0.559 120.864 120.400 -0.159 0.000 2.117 363 K HA 0.488 4.808 4.320 -0.000 0.000 0.240 363 K C 1.247 177.753 176.600 -0.157 0.000 1.031 363 K CA -0.847 55.348 56.287 -0.152 0.000 0.909 363 K CB 0.550 32.968 32.500 -0.137 0.000 1.097 363 K HN 0.310 nan 8.250 nan 0.000 0.492 364 V N 1.068 120.884 119.914 -0.163 0.000 2.594 364 V HA -0.230 3.890 4.120 -0.000 0.000 0.253 364 V C 2.210 178.241 176.094 -0.104 0.000 1.069 364 V CA 2.387 64.607 62.300 -0.132 0.000 1.082 364 V CB -0.944 30.693 31.823 -0.311 0.000 0.680 364 V HN 1.030 nan 8.190 nan 0.000 0.469 365 T N -2.760 111.694 114.554 -0.166 0.000 3.113 365 T HA 0.165 4.515 4.350 -0.000 0.000 0.263 365 T C 1.633 176.405 174.700 0.120 0.000 1.143 365 T CA 1.163 63.207 62.100 -0.093 0.000 1.090 365 T CB 0.257 69.071 68.868 -0.091 0.000 0.922 365 T HN 0.899 nan 8.240 nan 0.000 0.521 366 G N 0.681 109.532 108.800 0.085 0.000 2.241 366 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 366 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 366 G C 0.003 174.968 174.900 0.109 0.000 0.998 366 G CA -0.004 45.192 45.100 0.160 0.000 0.621 366 G HN 0.675 nan 8.290 nan 0.000 0.519 367 Q N 1.098 120.875 119.800 -0.039 0.000 2.283 367 Q HA 0.455 4.795 4.340 -0.000 0.000 0.301 367 Q C 0.767 176.577 176.000 -0.316 0.000 1.063 367 Q CA 0.384 55.917 55.803 -0.449 0.000 0.952 367 Q CB 0.728 29.247 28.738 -0.365 0.000 1.166 367 Q HN 0.869 nan 8.270 nan 0.000 0.381 368 A N 3.713 126.312 122.820 -0.368 0.000 2.340 368 A HA 0.529 4.849 4.320 -0.000 0.000 0.268 368 A C -0.501 176.969 177.584 -0.190 0.000 1.100 368 A CA -0.443 51.464 52.037 -0.216 0.000 0.803 368 A CB 0.492 19.390 19.000 -0.171 0.000 1.043 368 A HN 0.700 nan 8.150 nan 0.000 0.488 369 L N 0.689 121.825 121.223 -0.144 0.000 2.330 369 L HA 0.714 5.054 4.340 -0.000 0.000 0.271 369 L C 0.485 177.297 176.870 -0.097 0.000 1.013 369 L CA -0.417 54.350 54.840 -0.122 0.000 0.816 369 L CB 2.276 44.265 42.059 -0.116 0.000 1.287 369 L HN 0.835 nan 8.230 nan 0.000 0.435 370 T N 0.611 115.114 114.554 -0.085 0.000 2.804 370 T HA 0.721 5.071 4.350 -0.000 0.000 0.290 370 T C -1.495 173.168 174.700 -0.062 0.000 1.099 370 T CA -0.425 61.632 62.100 -0.071 0.000 1.011 370 T CB 1.935 70.763 68.868 -0.067 0.000 1.291 370 T HN 0.422 nan 8.240 nan 0.000 0.523 371 V N 1.838 121.718 119.914 -0.057 0.000 2.735 371 V HA 0.804 4.924 4.120 -0.000 0.000 0.310 371 V C -0.261 175.805 176.094 -0.046 0.000 1.061 371 V CA -1.185 61.086 62.300 -0.048 0.000 0.913 371 V CB 1.384 33.181 31.823 -0.043 0.000 1.005 371 V HN 1.024 nan 8.190 nan 0.000 0.428 372 N N 1.656 120.332 118.700 -0.040 0.000 2.405 372 N HA 0.259 4.999 4.740 -0.000 0.000 0.269 372 N C 0.481 175.970 175.510 -0.034 0.000 1.249 372 N CA -0.248 52.780 53.050 -0.036 0.000 0.974 372 N CB 0.208 38.677 38.487 -0.031 0.000 1.204 372 N HN 0.724 nan 8.380 nan 0.000 0.565 373 E N -1.061 119.120 120.200 -0.031 0.000 2.333 373 E HA -0.132 4.218 4.350 -0.000 0.000 0.198 373 E C 0.401 176.986 176.600 -0.025 0.000 1.007 373 E CA 1.033 57.415 56.400 -0.029 0.000 0.845 373 E CB -0.127 29.558 29.700 -0.025 0.000 0.766 373 E HN 0.592 nan 8.360 nan 0.000 0.507 374 K N -0.866 119.520 120.400 -0.023 0.000 2.387 374 K HA 0.249 4.569 4.320 -0.000 0.000 0.198 374 K C 1.005 177.593 176.600 -0.020 0.000 1.022 374 K CA 0.484 56.759 56.287 -0.019 0.000 1.128 374 K CB 0.835 33.325 32.500 -0.017 0.000 0.853 374 K HN 0.150 nan 8.250 nan 0.000 0.523 375 G N 1.966 110.752 108.800 -0.023 0.000 2.159 375 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.256 375 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.256 375 G C -0.376 174.512 174.900 -0.020 0.000 0.977 375 G CA 0.073 45.160 45.100 -0.022 0.000 0.652 375 G HN 0.455 nan 8.290 nan 0.000 0.531 376 E N 1.162 121.349 120.200 -0.022 0.000 2.366 376 E HA 0.393 4.743 4.350 -0.000 0.000 0.266 376 E C -0.198 176.384 176.600 -0.030 0.000 1.051 376 E CA -0.624 55.763 56.400 -0.022 0.000 0.884 376 E CB 0.625 30.313 29.700 -0.021 0.000 1.006 376 E HN 0.250 nan 8.360 nan 0.000 0.417 377 D N 1.204 121.585 120.400 -0.031 0.000 2.443 377 D HA 0.127 4.767 4.640 -0.000 0.000 0.239 377 D C -0.774 175.498 176.300 -0.048 0.000 1.136 377 D CA 0.284 54.258 54.000 -0.043 0.000 0.879 377 D CB 0.956 41.727 40.800 -0.047 0.000 1.195 377 D HN -0.034 nan 8.370 nan 0.000 0.443 378 V N 2.351 122.230 119.914 -0.057 0.000 2.668 378 V HA 0.122 4.242 4.120 -0.000 0.000 0.304 378 V C 0.135 176.182 176.094 -0.078 0.000 1.071 378 V CA -0.998 61.266 62.300 -0.060 0.000 0.894 378 V CB 2.237 34.029 31.823 -0.051 0.000 1.008 378 V HN 0.267 nan 8.190 nan 0.000 0.425 379 V N 4.879 124.740 119.914 -0.088 0.000 2.673 379 V HA 0.069 4.189 4.120 -0.000 0.000 0.303 379 V C 0.363 176.385 176.094 -0.119 0.000 1.046 379 V CA -0.005 62.221 62.300 -0.123 0.000 1.126 379 V CB 1.560 33.304 31.823 -0.133 0.000 0.934 379 V HN 0.635 nan 8.190 nan 0.000 0.487 380 V N 8.317 128.143 119.914 -0.147 0.000 2.387 380 V HA 0.168 4.288 4.120 -0.000 0.000 0.260 380 V C -2.029 173.979 176.094 -0.144 0.000 1.054 380 V CA -1.513 60.712 62.300 -0.125 0.000 0.967 380 V CB 0.498 32.249 31.823 -0.119 0.000 1.036 380 V HN 0.799 nan 8.190 nan 0.000 0.481 381 P HA 0.222 nan 4.420 nan 0.000 0.265 381 P C 1.099 178.381 177.300 -0.030 0.000 1.193 381 P CA 1.267 64.329 63.100 -0.063 0.000 0.765 381 P CB 0.721 32.409 31.700 -0.020 0.000 0.823 382 G N 1.366 110.176 108.800 0.017 0.000 2.253 382 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.251 382 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.251 382 G C -0.282 174.742 174.900 0.207 0.000 0.998 382 G CA -0.064 45.132 45.100 0.159 0.000 0.621 382 G HN 0.583 nan 8.290 nan 0.000 0.524 383 L N 0.666 121.864 121.223 -0.042 0.000 2.322 383 L HA 0.914 5.254 4.340 -0.000 0.000 0.279 383 L C -0.537 176.146 176.870 -0.313 0.000 1.036 383 L CA -1.085 53.742 54.840 -0.020 0.000 0.807 383 L CB 0.995 43.020 42.059 -0.055 0.000 1.226 383 L HN 0.096 nan 8.230 nan 0.000 0.433 384 F N 2.686 122.624 119.950 -0.020 0.000 2.662 384 F HA 0.855 5.382 4.527 -0.000 0.000 0.312 384 F C -0.250 175.531 175.800 -0.031 0.000 1.113 384 F CA -0.553 57.433 58.000 -0.024 0.000 0.951 384 F CB 2.080 41.073 39.000 -0.012 0.000 1.344 384 F HN 0.584 nan 8.300 nan 0.000 0.462 385 A N 0.940 123.852 122.820 0.154 0.000 2.566 385 A HA 0.822 5.142 4.320 -0.000 0.000 0.297 385 A C -1.798 175.818 177.584 0.054 0.000 1.059 385 A CA -0.732 51.345 52.037 0.066 0.000 0.691 385 A CB 1.557 20.558 19.000 0.002 0.000 1.282 385 A HN 1.275 nan 8.150 nan 0.000 0.401 386 V N -0.676 119.268 119.914 0.050 0.000 2.971 386 V HA 1.005 5.125 4.120 -0.000 0.000 0.309 386 V C 0.442 176.574 176.094 0.064 0.000 1.130 386 V CA 0.163 62.506 62.300 0.071 0.000 0.964 386 V CB 0.806 32.696 31.823 0.113 0.000 1.029 386 V HN 2.972 nan 8.190 nan 0.000 0.427 387 G N 2.026 110.884 108.800 0.097 0.000 2.568 387 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.222 387 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.222 387 G C 0.523 175.478 174.900 0.092 0.000 1.321 387 G CA 0.783 45.954 45.100 0.118 0.000 0.893 387 G HN 1.414 nan 8.290 nan 0.000 0.569 388 E N -0.834 119.417 120.200 0.084 0.000 2.219 388 E HA -0.166 4.184 4.350 -0.000 0.000 0.198 388 E C 2.496 179.017 176.600 -0.131 0.000 0.998 388 E CA 1.658 58.039 56.400 -0.032 0.000 0.818 388 E CB -0.131 29.507 29.700 -0.104 0.000 0.741 388 E HN 0.493 nan 8.360 nan 0.000 0.477 389 I N 0.621 121.144 120.570 -0.078 0.000 2.614 389 I HA -0.041 4.129 4.170 -0.000 0.000 0.258 389 I C 0.736 176.801 176.117 -0.087 0.000 1.189 389 I CA 0.527 61.774 61.300 -0.089 0.000 1.462 389 I CB -0.469 37.499 38.000 -0.054 0.000 1.092 389 I HN 0.067 nan 8.210 nan 0.000 0.442 390 A N -0.557 122.223 122.820 -0.067 0.000 2.271 390 A HA 0.481 4.801 4.320 -0.000 0.000 0.288 390 A C -0.259 177.263 177.584 -0.102 0.000 1.094 390 A CA -0.178 51.807 52.037 -0.086 0.000 0.828 390 A CB 0.518 19.465 19.000 -0.089 0.000 1.091 390 A HN 0.425 nan 8.150 nan 0.000 0.493 391 C N 2.380 121.598 119.300 -0.136 0.000 2.654 391 C HA 0.486 4.946 4.460 -0.000 0.000 0.315 391 C C 1.111 175.972 174.990 -0.215 0.000 1.054 391 C CA -0.390 58.542 59.018 -0.144 0.000 1.419 391 C CB -0.859 26.799 27.740 -0.136 0.000 1.889 391 C HN 0.644 nan 8.230 nan 0.000 0.447 392 V N 3.494 123.248 119.914 -0.267 0.000 2.379 392 V HA 0.029 4.149 4.120 -0.000 0.000 0.245 392 V C 1.479 177.412 176.094 -0.268 0.000 1.044 392 V CA 1.877 63.966 62.300 -0.351 0.000 1.036 392 V CB -0.248 31.208 31.823 -0.612 0.000 0.664 392 V HN 0.863 nan 8.190 nan 0.000 0.453 393 S N 0.050 115.629 115.700 -0.201 0.000 2.456 393 S HA 0.356 4.826 4.470 -0.000 0.000 0.316 393 S C 0.360 174.873 174.600 -0.145 0.000 1.089 393 S CA -0.275 57.828 58.200 -0.162 0.000 1.101 393 S CB 1.788 64.962 63.200 -0.045 0.000 0.995 393 S HN 0.274 nan 8.310 nan 0.000 0.468 394 V N 2.789 122.505 119.914 -0.330 0.000 3.649 394 V HA 0.379 4.499 4.120 -0.000 0.000 0.275 394 V C 0.860 176.734 176.094 -0.367 0.000 1.281 394 V CA 0.439 62.536 62.300 -0.339 0.000 1.143 394 V CB -0.916 30.722 31.823 -0.310 0.000 0.892 394 V HN 0.942 nan 8.190 nan 0.000 0.441 395 H N 0.304 119.412 119.070 0.063 0.000 3.241 395 H HA 0.444 5.000 4.556 -0.000 0.000 0.260 395 H C 1.802 177.168 175.328 0.063 0.000 1.084 395 H CA 0.241 56.327 56.048 0.063 0.000 1.203 395 H CB 0.709 30.526 29.762 0.091 0.000 1.524 395 H HN 0.503 nan 8.280 nan 0.000 0.521 396 G N 1.711 110.606 108.800 0.158 0.000 2.672 396 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.324 396 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.324 396 G C 1.192 176.171 174.900 0.131 0.000 1.286 396 G CA 1.544 46.727 45.100 0.139 0.000 1.004 396 G HN 0.578 nan 8.290 nan 0.000 0.548 397 A N 0.201 123.081 122.820 0.099 0.000 2.345 397 A HA 0.563 4.883 4.320 -0.000 0.000 0.225 397 A C 0.718 178.364 177.584 0.104 0.000 1.243 397 A CA 1.488 53.585 52.037 0.100 0.000 0.875 397 A CB -0.328 18.729 19.000 0.095 0.000 0.929 397 A HN 1.761 nan 8.150 nan 0.000 0.502 398 N N -0.886 117.875 118.700 0.102 0.000 2.999 398 N HA 0.162 4.902 4.740 -0.000 0.000 0.244 398 N C -0.986 174.572 175.510 0.080 0.000 1.106 398 N CA -0.443 52.660 53.050 0.088 0.000 1.018 398 N CB 0.848 39.378 38.487 0.071 0.000 1.600 398 N HN 0.254 nan 8.380 nan 0.000 0.621 399 R N 3.635 124.160 120.500 0.041 0.000 2.490 399 R HA 0.475 4.815 4.340 -0.000 0.000 0.278 399 R C -0.596 175.687 176.300 -0.028 0.000 1.069 399 R CA -0.448 55.630 56.100 -0.037 0.000 1.080 399 R CB 0.618 30.680 30.300 -0.398 0.000 1.030 399 R HN 0.549 nan 8.270 nan 0.000 0.491 400 L N 2.892 124.134 121.223 0.031 0.000 2.326 400 L HA 0.311 4.651 4.340 -0.000 0.000 0.278 400 L C 0.975 177.890 176.870 0.075 0.000 1.092 400 L CA -0.598 54.282 54.840 0.066 0.000 0.810 400 L CB 1.384 43.525 42.059 0.137 0.000 1.153 400 L HN 0.858 nan 8.230 nan 0.000 0.439 401 G N 0.986 109.888 108.800 0.171 0.000 2.321 401 G HA2 0.305 4.265 3.960 -0.000 0.000 0.237 401 G HA3 0.305 4.265 3.960 -0.000 0.000 0.237 401 G C 0.989 175.989 174.900 0.166 0.000 1.282 401 G CA 0.492 45.827 45.100 0.391 0.000 0.886 401 G HN 1.067 nan 8.290 nan 0.000 0.528 402 G N 2.231 111.007 108.800 -0.041 0.000 2.253 402 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.251 402 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.251 402 G C 1.215 176.093 174.900 -0.037 0.000 0.998 402 G CA 0.678 45.658 45.100 -0.201 0.000 0.621 402 G HN 0.693 nan 8.290 nan 0.000 0.524 403 N N 0.503 119.223 118.700 0.033 0.000 2.463 403 N HA 0.154 4.894 4.740 -0.000 0.000 0.181 403 N C 2.107 177.701 175.510 0.140 0.000 1.078 403 N CA 1.356 54.492 53.050 0.144 0.000 0.902 403 N CB 0.069 38.700 38.487 0.239 0.000 0.970 403 N HN 0.471 nan 8.380 nan 0.000 0.451 404 S N 0.230 115.906 115.700 -0.040 0.000 2.362 404 S HA 0.100 4.570 4.470 -0.000 0.000 0.221 404 S C 1.830 176.487 174.600 0.094 0.000 1.032 404 S CA 0.474 58.658 58.200 -0.027 0.000 0.973 404 S CB -0.172 62.908 63.200 -0.201 0.000 0.849 404 S HN 0.201 nan 8.310 nan 0.000 0.465 405 L N 1.011 122.268 121.223 0.056 0.000 2.042 405 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 405 L C 2.563 179.485 176.870 0.087 0.000 1.076 405 L CA 1.090 55.969 54.840 0.065 0.000 0.749 405 L CB -0.659 41.421 42.059 0.035 0.000 0.893 405 L HN 0.370 nan 8.230 nan 0.000 0.432 406 L N 0.560 121.840 121.223 0.096 0.000 2.012 406 L HA -0.276 4.064 4.340 -0.000 0.000 0.210 406 L C 2.210 179.164 176.870 0.140 0.000 1.073 406 L CA 2.212 57.116 54.840 0.106 0.000 0.748 406 L CB -0.685 41.457 42.059 0.138 0.000 0.891 406 L HN 0.296 nan 8.230 nan 0.000 0.431 407 D N -0.639 119.905 120.400 0.239 0.000 2.092 407 D HA -0.234 4.406 4.640 -0.000 0.000 0.193 407 D C 2.186 178.690 176.300 0.339 0.000 0.994 407 D CA 2.148 56.383 54.000 0.391 0.000 0.828 407 D CB -0.330 40.756 40.800 0.478 0.000 0.963 407 D HN 0.448 nan 8.370 nan 0.000 0.450 408 L N -0.135 121.228 121.223 0.234 0.000 1.997 408 L HA -0.223 4.117 4.340 -0.000 0.000 0.216 408 L C 2.789 179.736 176.870 0.129 0.000 1.074 408 L CA 1.282 56.226 54.840 0.172 0.000 0.763 408 L CB -0.833 41.297 42.059 0.117 0.000 0.890 408 L HN 0.048 nan 8.230 nan 0.000 0.434 409 V N -0.899 119.067 119.914 0.087 0.000 2.323 409 V HA -0.188 3.932 4.120 -0.000 0.000 0.244 409 V C 2.411 178.507 176.094 0.004 0.000 1.041 409 V CA 1.335 63.658 62.300 0.038 0.000 1.025 409 V CB -0.110 31.727 31.823 0.022 0.000 0.656 409 V HN 0.182 nan 8.190 nan 0.000 0.451 410 V N -0.674 119.213 119.914 -0.045 0.000 2.295 410 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 410 V C 2.146 178.103 176.094 -0.229 0.000 1.049 410 V CA 2.171 64.344 62.300 -0.213 0.000 1.024 410 V CB -0.656 30.926 31.823 -0.402 0.000 0.648 410 V HN 0.470 nan 8.190 nan 0.000 0.447 411 F N 0.778 120.802 119.950 0.123 0.000 2.473 411 F HA 0.220 4.747 4.527 0.000 0.000 0.294 411 F C 2.302 178.151 175.800 0.082 0.000 1.103 411 F CA 0.799 58.865 58.000 0.110 0.000 1.442 411 F CB -1.107 37.942 39.000 0.081 0.000 1.097 411 F HN 0.153 nan 8.300 nan 0.000 0.547 412 G N -0.017 108.901 108.800 0.195 0.000 2.421 412 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.216 412 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.216 412 G C 1.846 176.793 174.900 0.078 0.000 1.171 412 G CA 0.669 45.837 45.100 0.113 0.000 0.775 412 G HN 0.208 nan 8.290 nan 0.000 0.543 413 R N 0.418 120.952 120.500 0.057 0.000 2.091 413 R HA -0.022 4.318 4.340 -0.000 0.000 0.238 413 R C 2.917 179.261 176.300 0.074 0.000 1.136 413 R CA 1.477 57.597 56.100 0.034 0.000 0.959 413 R CB -0.355 29.946 30.300 0.002 0.000 0.856 413 R HN 0.316 nan 8.270 nan 0.000 0.437 414 A N 0.663 123.562 122.820 0.132 0.000 1.877 414 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 414 A C 2.355 180.097 177.584 0.263 0.000 1.186 414 A CA 1.649 53.830 52.037 0.239 0.000 0.620 414 A CB -0.834 18.307 19.000 0.235 0.000 0.822 414 A HN 0.519 nan 8.150 nan 0.000 0.443 415 A N -0.450 122.488 122.820 0.197 0.000 1.917 415 A HA -0.000 4.320 4.320 -0.000 0.000 0.219 415 A C 2.406 180.030 177.584 0.067 0.000 1.182 415 A CA 2.265 54.392 52.037 0.151 0.000 0.633 415 A CB -1.437 17.631 19.000 0.113 0.000 0.819 415 A HN 0.757 nan 8.150 nan 0.000 0.448 416 G N -0.475 108.344 108.800 0.033 0.000 2.414 416 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.215 416 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.215 416 G C 1.538 176.418 174.900 -0.032 0.000 1.188 416 G CA 0.886 45.974 45.100 -0.021 0.000 0.783 416 G HN 0.426 nan 8.290 nan 0.000 0.537 417 L N -0.184 121.013 121.223 -0.042 0.000 2.129 417 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 417 L C 2.389 179.098 176.870 -0.268 0.000 1.087 417 L CA 1.105 55.843 54.840 -0.171 0.000 0.757 417 L CB -0.280 41.635 42.059 -0.240 0.000 0.896 417 L HN 0.328 nan 8.230 nan 0.000 0.434 418 H N -2.007 117.071 119.070 0.015 0.000 2.586 418 H HA 0.068 4.624 4.556 0.000 0.000 0.273 418 H C 1.900 177.245 175.328 0.029 0.000 0.997 418 H CA -0.039 56.026 56.048 0.028 0.000 1.177 418 H CB 0.713 30.502 29.762 0.044 0.000 1.471 418 H HN 0.177 nan 8.280 nan 0.000 0.538 419 L N 1.405 122.663 121.223 0.058 0.000 2.043 419 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 419 L C 2.424 179.304 176.870 0.018 0.000 1.075 419 L CA 1.721 56.547 54.840 -0.023 0.000 0.752 419 L CB -0.325 41.653 42.059 -0.136 0.000 0.891 419 L HN 0.190 nan 8.230 nan 0.000 0.432 420 Q N -0.925 118.882 119.800 0.012 0.000 2.050 420 Q HA -0.271 4.069 4.340 -0.000 0.000 0.202 420 Q C 2.181 178.211 176.000 0.050 0.000 0.980 420 Q CA 2.058 57.873 55.803 0.020 0.000 0.840 420 Q CB -0.134 28.606 28.738 0.004 0.000 0.898 420 Q HN 0.605 nan 8.270 nan 0.000 0.424 421 E N -0.050 120.192 120.200 0.070 0.000 2.085 421 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 421 E C 2.136 178.799 176.600 0.106 0.000 0.994 421 E CA 1.394 57.847 56.400 0.088 0.000 0.801 421 E CB 0.096 29.868 29.700 0.119 0.000 0.743 421 E HN 0.149 nan 8.360 nan 0.000 0.453 422 S N 0.315 116.106 115.700 0.152 0.000 2.368 422 S HA -0.111 4.359 4.470 -0.000 0.000 0.225 422 S C 1.976 176.690 174.600 0.190 0.000 1.030 422 S CA 0.794 59.117 58.200 0.206 0.000 0.999 422 S CB -0.121 63.325 63.200 0.409 0.000 0.844 422 S HN 0.208 nan 8.310 nan 0.000 0.459 423 I N 1.456 122.120 120.570 0.156 0.000 2.353 423 I HA -0.143 4.027 4.170 -0.000 0.000 0.248 423 I C 2.606 178.771 176.117 0.081 0.000 1.119 423 I CA 0.910 62.283 61.300 0.123 0.000 1.417 423 I CB -0.368 37.678 38.000 0.077 0.000 1.078 423 I HN 0.262 nan 8.210 nan 0.000 0.421 424 A N 0.319 123.178 122.820 0.065 0.000 1.873 424 A HA -0.249 4.071 4.320 -0.000 0.000 0.215 424 A C 2.310 179.920 177.584 0.043 0.000 1.186 424 A CA 1.735 53.800 52.037 0.046 0.000 0.616 424 A CB -0.641 18.381 19.000 0.038 0.000 0.823 424 A HN 0.469 nan 8.150 nan 0.000 0.442 425 E N 0.276 120.505 120.200 0.049 0.000 2.130 425 E HA -0.313 4.037 4.350 -0.000 0.000 0.196 425 E C 2.151 178.769 176.600 0.029 0.000 0.998 425 E CA 1.653 58.075 56.400 0.036 0.000 0.806 425 E CB -0.202 29.520 29.700 0.036 0.000 0.738 425 E HN 0.885 nan 8.360 nan 0.000 0.459 426 Q N -0.159 119.666 119.800 0.042 0.000 2.389 426 Q HA 0.109 4.449 4.340 -0.000 0.000 0.204 426 Q C 0.835 176.852 176.000 0.028 0.000 0.944 426 Q CA 0.629 56.450 55.803 0.030 0.000 0.908 426 Q CB 0.235 28.998 28.738 0.042 0.000 1.002 426 Q HN 0.214 nan 8.270 nan 0.000 0.493 427 G N 0.996 109.816 108.800 0.033 0.000 2.781 427 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.683 427 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.683 427 G C -0.297 174.622 174.900 0.032 0.000 1.390 427 G CA -0.493 44.623 45.100 0.027 0.000 0.850 427 G HN 0.814 nan 8.290 nan 0.000 0.557 428 A N 0.267 123.103 122.820 0.027 0.000 2.546 428 A HA 0.505 4.825 4.320 -0.000 0.000 0.243 428 A C 0.920 178.522 177.584 0.030 0.000 1.063 428 A CA 0.550 52.604 52.037 0.028 0.000 0.757 428 A CB -0.126 18.887 19.000 0.021 0.000 0.991 428 A HN 1.336 nan 8.150 nan 0.000 0.503 429 L N 2.876 124.122 121.223 0.038 0.000 2.307 429 L HA 0.449 4.789 4.340 -0.000 0.000 0.282 429 L C 0.983 177.876 176.870 0.038 0.000 1.051 429 L CA -0.622 54.242 54.840 0.040 0.000 0.804 429 L CB 0.968 43.060 42.059 0.054 0.000 1.197 429 L HN 0.843 nan 8.230 nan 0.000 0.431 430 R N 1.204 121.724 120.500 0.032 0.000 2.643 430 R HA 0.056 4.396 4.340 -0.000 0.000 0.270 430 R C -0.559 175.767 176.300 0.043 0.000 1.061 430 R CA -0.589 55.529 56.100 0.030 0.000 1.107 430 R CB 0.567 30.879 30.300 0.021 0.000 0.999 430 R HN 0.519 nan 8.270 nan 0.000 0.460 431 D N 1.595 122.021 120.400 0.044 0.000 2.443 431 D HA 0.056 4.696 4.640 -0.000 0.000 0.239 431 D C -0.288 176.046 176.300 0.057 0.000 1.136 431 D CA 0.457 54.495 54.000 0.063 0.000 0.879 431 D CB 0.908 41.741 40.800 0.054 0.000 1.195 431 D HN 0.607 nan 8.370 nan 0.000 0.443 432 A N 2.037 124.905 122.820 0.080 0.000 2.498 432 A HA 0.351 4.671 4.320 -0.000 0.000 0.239 432 A C 0.747 178.334 177.584 0.004 0.000 1.068 432 A CA -0.215 51.834 52.037 0.020 0.000 0.766 432 A CB 0.052 19.027 19.000 -0.042 0.000 1.003 432 A HN 0.525 nan 8.150 nan 0.000 0.497 433 S N 0.939 116.627 115.700 -0.020 0.000 2.707 433 S HA 0.274 4.744 4.470 -0.000 0.000 0.276 433 S C 0.908 175.485 174.600 -0.039 0.000 1.179 433 S CA 0.277 58.467 58.200 -0.017 0.000 0.992 433 S CB 1.017 64.209 63.200 -0.014 0.000 1.030 433 S HN 0.802 nan 8.310 nan 0.000 0.554 434 E N 0.506 120.691 120.200 -0.025 0.000 2.118 434 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 434 E C 1.872 178.444 176.600 -0.046 0.000 0.992 434 E CA 1.641 58.022 56.400 -0.032 0.000 0.804 434 E CB -0.264 29.428 29.700 -0.013 0.000 0.741 434 E HN 0.812 nan 8.360 nan 0.000 0.458 435 S N -0.219 115.458 115.700 -0.038 0.000 2.470 435 S HA -0.062 4.408 4.470 -0.000 0.000 0.225 435 S C 1.399 175.968 174.600 -0.052 0.000 1.006 435 S CA 0.572 58.749 58.200 -0.038 0.000 0.934 435 S CB 0.075 63.260 63.200 -0.025 0.000 0.778 435 S HN 0.185 nan 8.310 nan 0.000 0.517 436 D N 2.125 122.486 120.400 -0.064 0.000 2.104 436 D HA -0.074 4.566 4.640 -0.000 0.000 0.194 436 D C 2.073 178.297 176.300 -0.127 0.000 0.994 436 D CA 1.216 55.166 54.000 -0.083 0.000 0.830 436 D CB -0.426 40.323 40.800 -0.085 0.000 0.959 436 D HN 0.324 nan 8.370 nan 0.000 0.452 437 V N 0.832 120.636 119.914 -0.183 0.000 2.358 437 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 437 V C 2.418 178.440 176.094 -0.120 0.000 1.047 437 V CA 1.448 63.600 62.300 -0.246 0.000 1.035 437 V CB -0.359 31.275 31.823 -0.315 0.000 0.658 437 V HN 0.057 nan 8.190 nan 0.000 0.452 438 E N 0.809 120.964 120.200 -0.076 0.000 2.118 438 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 438 E C 2.161 178.746 176.600 -0.026 0.000 0.992 438 E CA 1.612 57.990 56.400 -0.036 0.000 0.804 438 E CB -0.539 29.145 29.700 -0.026 0.000 0.741 438 E HN 0.524 nan 8.360 nan 0.000 0.458 439 A N -0.181 122.618 122.820 -0.034 0.000 1.940 439 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 439 A C 2.401 179.979 177.584 -0.009 0.000 1.176 439 A CA 1.932 53.956 52.037 -0.022 0.000 0.631 439 A CB -0.809 18.175 19.000 -0.027 0.000 0.814 439 A HN 0.268 nan 8.150 nan 0.000 0.446 440 S N -0.607 115.083 115.700 -0.018 0.000 2.465 440 S HA -0.052 4.418 4.470 -0.000 0.000 0.241 440 S C 1.414 176.037 174.600 0.038 0.000 1.000 440 S CA 1.265 59.470 58.200 0.008 0.000 0.964 440 S CB -0.314 62.883 63.200 -0.006 0.000 0.763 440 S HN 0.535 nan 8.310 nan 0.000 0.512 441 L N 0.277 121.518 121.223 0.030 0.000 2.616 441 L HA 0.128 4.468 4.340 -0.000 0.000 0.229 441 L C 1.503 178.404 176.870 0.051 0.000 1.110 441 L CA 0.037 54.907 54.840 0.051 0.000 0.884 441 L CB -0.222 41.863 42.059 0.042 0.000 1.115 441 L HN 0.066 nan 8.230 nan 0.000 0.481 442 D N 0.999 121.419 120.400 0.033 0.000 2.116 442 D HA -0.232 4.408 4.640 -0.000 0.000 0.193 442 D C 2.128 178.448 176.300 0.033 0.000 0.998 442 D CA 1.290 55.302 54.000 0.021 0.000 0.836 442 D CB 0.028 40.830 40.800 0.004 0.000 0.951 442 D HN 0.178 nan 8.370 nan 0.000 0.449 443 R N 0.052 120.588 120.500 0.060 0.000 2.083 443 R HA -0.166 4.174 4.340 -0.000 0.000 0.237 443 R C 2.377 178.795 176.300 0.197 0.000 1.137 443 R CA 1.057 57.217 56.100 0.100 0.000 0.951 443 R CB -0.485 29.900 30.300 0.143 0.000 0.851 443 R HN 0.142 nan 8.270 nan 0.000 0.434 444 L N 1.436 122.776 121.223 0.195 0.000 2.046 444 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 444 L C 1.496 178.471 176.870 0.174 0.000 1.077 444 L CA 1.875 56.842 54.840 0.213 0.000 0.747 444 L CB -0.649 41.492 42.059 0.137 0.000 0.896 444 L HN 0.210 nan 8.230 nan 0.000 0.432 445 N N -0.222 118.539 118.700 0.101 0.000 2.188 445 N HA -0.189 4.551 4.740 -0.000 0.000 0.184 445 N C 1.981 177.516 175.510 0.043 0.000 1.018 445 N CA 1.205 54.292 53.050 0.062 0.000 0.858 445 N CB -0.365 38.142 38.487 0.033 0.000 0.989 445 N HN 0.413 nan 8.380 nan 0.000 0.426 446 R N 0.023 120.524 120.500 0.001 0.000 2.082 446 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 446 R C 2.029 178.284 176.300 -0.075 0.000 1.136 446 R CA 1.623 57.665 56.100 -0.096 0.000 0.935 446 R CB -0.373 29.794 30.300 -0.221 0.000 0.842 446 R HN 0.264 nan 8.270 nan 0.000 0.430 447 W N 1.231 122.521 121.300 -0.015 0.000 2.318 447 W HA -0.211 4.449 4.660 -0.000 0.000 0.313 447 W C 2.122 178.628 176.519 -0.022 0.000 1.221 447 W CA 0.917 58.248 57.345 -0.022 0.000 1.266 447 W CB -0.521 28.920 29.460 -0.031 0.000 1.150 447 W HN 0.236 nan 8.180 nan 0.000 0.496 448 N N -0.106 118.722 118.700 0.213 0.000 2.348 448 N HA -0.149 4.591 4.740 -0.000 0.000 0.185 448 N C 0.724 176.277 175.510 0.071 0.000 1.019 448 N CA 1.456 54.575 53.050 0.115 0.000 0.880 448 N CB -0.609 37.926 38.487 0.079 0.000 0.965 448 N HN 0.378 nan 8.380 nan 0.000 0.437 449 N N -0.495 118.235 118.700 0.050 0.000 2.254 449 N HA 0.022 4.762 4.740 -0.000 0.000 0.190 449 N C -0.268 175.247 175.510 0.008 0.000 1.107 449 N CA -0.142 52.920 53.050 0.020 0.000 0.869 449 N CB 0.341 38.830 38.487 0.003 0.000 0.983 449 N HN 0.055 nan 8.380 nan 0.000 0.487 450 N N 1.439 120.146 118.700 0.012 0.000 2.437 450 N HA 0.144 4.884 4.740 -0.000 0.000 0.243 450 N C 0.202 175.732 175.510 0.034 0.000 1.041 450 N CA 0.073 53.120 53.050 -0.006 0.000 0.940 450 N CB 0.565 39.009 38.487 -0.072 0.000 1.133 450 N HN 0.039 nan 8.380 nan 0.000 0.506 451 R N 2.380 122.892 120.500 0.020 0.000 2.167 451 R HA 0.211 4.551 4.340 -0.000 0.000 0.201 451 R C 0.281 176.593 176.300 0.021 0.000 1.024 451 R CA 0.518 56.634 56.100 0.027 0.000 1.053 451 R CB 0.091 30.402 30.300 0.018 0.000 0.987 451 R HN 0.530 nan 8.270 nan 0.000 0.493 452 N N 0.401 119.106 118.700 0.007 0.000 2.203 452 N HA 0.091 4.831 4.740 -0.000 0.000 0.207 452 N C 0.754 176.263 175.510 -0.001 0.000 1.130 452 N CA 0.168 53.221 53.050 0.004 0.000 0.861 452 N CB 0.904 39.391 38.487 -0.001 0.000 1.005 452 N HN 0.101 nan 8.380 nan 0.000 0.507 453 G N 0.368 109.165 108.800 -0.007 0.000 2.486 453 G HA2 0.099 4.059 3.960 -0.000 0.000 0.272 453 G HA3 0.099 4.059 3.960 -0.000 0.000 0.272 453 G C 0.176 175.077 174.900 0.001 0.000 1.426 453 G CA -0.381 44.707 45.100 -0.019 0.000 1.058 453 G HN 0.080 nan 8.290 nan 0.000 0.531 454 E N -0.131 120.067 120.200 -0.003 0.000 2.392 454 E HA 0.078 4.428 4.350 -0.000 0.000 0.259 454 E C -0.766 175.862 176.600 0.047 0.000 1.108 454 E CA -0.317 56.092 56.400 0.016 0.000 0.916 454 E CB 0.834 30.538 29.700 0.007 0.000 0.989 454 E HN 0.365 nan 8.360 nan 0.000 0.432 455 D N 2.083 122.510 120.400 0.045 0.000 2.339 455 D HA 0.037 4.677 4.640 -0.000 0.000 0.256 455 D C -1.588 174.754 176.300 0.071 0.000 1.214 455 D CA -2.200 51.833 54.000 0.055 0.000 0.877 455 D CB 0.977 41.798 40.800 0.036 0.000 1.111 455 D HN 0.066 nan 8.370 nan 0.000 0.478 456 P HA -0.106 nan 4.420 nan 0.000 0.226 456 P C 1.454 178.792 177.300 0.063 0.000 1.153 456 P CA 0.257 63.431 63.100 0.124 0.000 0.777 456 P CB 0.418 32.217 31.700 0.166 0.000 0.794 457 V N 0.969 120.906 119.914 0.039 0.000 2.358 457 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 457 V C 2.793 178.902 176.094 0.024 0.000 1.047 457 V CA 2.179 64.492 62.300 0.023 0.000 1.035 457 V CB -1.609 30.223 31.823 0.014 0.000 0.658 457 V HN 0.115 nan 8.190 nan 0.000 0.452 458 A N -0.165 122.671 122.820 0.027 0.000 1.930 458 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 458 A C 2.175 179.771 177.584 0.021 0.000 1.175 458 A CA 1.666 53.716 52.037 0.021 0.000 0.627 458 A CB -0.496 18.516 19.000 0.020 0.000 0.815 458 A HN 0.505 nan 8.150 nan 0.000 0.443 459 I N -0.903 119.687 120.570 0.032 0.000 2.179 459 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 459 I C 2.714 178.846 176.117 0.025 0.000 1.088 459 I CA 1.782 63.102 61.300 0.033 0.000 1.357 459 I CB -0.376 37.658 38.000 0.057 0.000 1.051 459 I HN 0.404 nan 8.210 nan 0.000 0.409 460 R N 1.663 122.180 120.500 0.028 0.000 2.096 460 R HA -0.228 4.112 4.340 -0.000 0.000 0.240 460 R C 2.272 178.573 176.300 0.001 0.000 1.139 460 R CA 1.858 57.967 56.100 0.015 0.000 0.952 460 R CB -0.123 30.188 30.300 0.017 0.000 0.854 460 R HN 0.290 nan 8.270 nan 0.000 0.436 461 K N -0.204 120.199 120.400 0.004 0.000 2.057 461 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 461 K C 2.149 178.735 176.600 -0.022 0.000 1.049 461 K CA 1.330 57.615 56.287 -0.003 0.000 0.931 461 K CB -0.148 32.355 32.500 0.005 0.000 0.714 461 K HN 0.269 nan 8.250 nan 0.000 0.440 462 A N 1.810 124.619 122.820 -0.017 0.000 1.902 462 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 462 A C 2.135 179.697 177.584 -0.038 0.000 1.181 462 A CA 1.149 53.170 52.037 -0.027 0.000 0.623 462 A CB -0.660 18.335 19.000 -0.009 0.000 0.818 462 A HN 0.313 nan 8.150 nan 0.000 0.443 463 L N -0.657 120.549 121.223 -0.028 0.000 1.989 463 L HA -0.302 4.038 4.340 -0.000 0.000 0.211 463 L C 2.754 179.573 176.870 -0.085 0.000 1.071 463 L CA 2.260 57.075 54.840 -0.043 0.000 0.749 463 L CB -0.458 41.581 42.059 -0.033 0.000 0.890 463 L HN 0.493 nan 8.230 nan 0.000 0.431 464 Q N -0.576 119.175 119.800 -0.081 0.000 2.084 464 Q HA -0.285 4.055 4.340 -0.000 0.000 0.202 464 Q C 2.128 178.071 176.000 -0.096 0.000 0.978 464 Q CA 1.990 57.733 55.803 -0.100 0.000 0.844 464 Q CB -0.183 28.528 28.738 -0.044 0.000 0.898 464 Q HN 0.575 nan 8.270 nan 0.000 0.426 465 E N 0.103 120.240 120.200 -0.106 0.000 2.110 465 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 465 E C 2.059 178.506 176.600 -0.255 0.000 0.988 465 E CA 1.044 57.316 56.400 -0.213 0.000 0.804 465 E CB -0.098 29.450 29.700 -0.253 0.000 0.745 465 E HN 0.390 nan 8.360 nan 0.000 0.458 466 C N 0.686 119.906 119.300 -0.133 0.000 2.432 466 C HA -0.137 4.323 4.460 -0.000 0.000 0.277 466 C C 2.647 177.667 174.990 0.051 0.000 1.249 466 C CA 0.844 59.839 59.018 -0.039 0.000 1.725 466 C CB -0.766 26.985 27.740 0.018 0.000 2.028 466 C HN 0.499 nan 8.230 nan 0.000 0.477 467 M N 0.144 119.731 119.600 -0.023 0.000 2.175 467 M HA -0.086 4.394 4.480 -0.000 0.000 0.264 467 M C 2.074 178.431 176.300 0.096 0.000 1.063 467 M CA 1.530 56.799 55.300 -0.052 0.000 1.119 467 M CB -1.703 30.491 32.600 -0.677 0.000 1.377 467 M HN 0.477 nan 8.290 nan 0.000 0.415 468 Q N -0.061 119.813 119.800 0.123 0.000 2.079 468 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 468 Q C 1.834 178.044 176.000 0.351 0.000 0.974 468 Q CA 1.783 57.789 55.803 0.339 0.000 0.840 468 Q CB -0.235 28.676 28.738 0.288 0.000 0.898 468 Q HN 0.649 nan 8.270 nan 0.000 0.430 469 H N -1.435 117.687 119.070 0.086 0.000 2.448 469 H HA 0.126 4.682 4.556 -0.000 0.000 0.292 469 H C 0.897 176.212 175.328 -0.021 0.000 1.035 469 H CA 0.689 56.759 56.048 0.037 0.000 1.349 469 H CB 0.567 30.343 29.762 0.023 0.000 1.425 469 H HN 0.273 nan 8.280 nan 0.000 0.539 470 N N -0.225 118.504 118.700 0.048 0.000 2.273 470 N HA 0.012 4.752 4.740 -0.000 0.000 0.192 470 N C -0.175 174.955 175.510 -0.633 0.000 1.132 470 N CA 0.397 53.259 53.050 -0.313 0.000 0.887 470 N CB 0.694 38.890 38.487 -0.485 0.000 1.048 470 N HN 0.172 nan 8.380 nan 0.000 0.490 471 F N 0.112 120.151 119.950 0.148 0.000 2.814 471 F HA 0.361 4.888 4.527 -0.000 0.000 0.326 471 F C 1.112 177.104 175.800 0.320 0.000 1.159 471 F CA -0.530 57.590 58.000 0.201 0.000 1.234 471 F CB 0.272 39.361 39.000 0.149 0.000 1.016 471 F HN -0.225 nan 8.300 nan 0.000 0.510 472 S N -0.403 115.445 115.700 0.248 0.000 2.477 472 S HA 0.222 4.692 4.470 -0.000 0.000 0.261 472 S C 1.789 176.118 174.600 -0.452 0.000 1.197 472 S CA -0.073 58.078 58.200 -0.081 0.000 1.015 472 S CB 0.455 63.603 63.200 -0.086 0.000 1.077 472 S HN -0.040 nan 8.310 nan 0.000 0.505 473 V N 0.295 119.696 119.914 -0.856 0.000 2.332 473 V HA -0.037 4.083 4.120 -0.000 0.000 0.248 473 V C 0.387 176.082 176.094 -0.665 0.000 1.055 473 V CA 1.531 63.331 62.300 -0.834 0.000 1.038 473 V CB -0.792 30.527 31.823 -0.840 0.000 0.651 473 V HN 0.564 nan 8.190 nan 0.000 0.450 474 F N -0.390 119.409 119.950 -0.252 0.000 2.444 474 F HA 0.663 5.190 4.527 0.000 0.000 0.342 474 F C 0.436 176.097 175.800 -0.231 0.000 1.121 474 F CA -0.899 56.917 58.000 -0.306 0.000 0.997 474 F CB 1.236 40.092 39.000 -0.241 0.000 1.130 474 F HN -0.131 nan 8.300 nan 0.000 0.454 475 R N 1.589 122.022 120.500 -0.111 0.000 2.873 475 R HA 0.717 5.057 4.340 -0.000 0.000 0.264 475 R C -1.080 175.197 176.300 -0.038 0.000 1.026 475 R CA -1.094 54.963 56.100 -0.072 0.000 1.002 475 R CB 2.410 32.674 30.300 -0.060 0.000 1.174 475 R HN 0.594 nan 8.270 nan 0.000 0.488 476 E N -0.660 119.550 120.200 0.017 0.000 2.356 476 E HA 0.196 4.546 4.350 -0.000 0.000 0.275 476 E C 0.230 176.864 176.600 0.057 0.000 0.904 476 E CA -0.637 55.817 56.400 0.091 0.000 0.757 476 E CB 2.179 31.969 29.700 0.149 0.000 1.232 476 E HN 0.761 nan 8.360 nan 0.000 0.442 477 G N 2.141 110.996 108.800 0.092 0.000 2.514 477 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 477 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 477 G C 0.841 175.786 174.900 0.075 0.000 1.198 477 G CA 1.141 46.307 45.100 0.109 0.000 0.780 477 G HN 0.463 nan 8.290 nan 0.000 0.565 478 D N 0.883 121.314 120.400 0.053 0.000 2.087 478 D HA -0.054 4.586 4.640 -0.000 0.000 0.192 478 D C 2.879 179.190 176.300 0.019 0.000 0.993 478 D CA 1.542 55.565 54.000 0.037 0.000 0.828 478 D CB -0.712 40.103 40.800 0.025 0.000 0.968 478 D HN 0.281 nan 8.370 nan 0.000 0.448 479 A N 0.494 123.311 122.820 -0.004 0.000 1.908 479 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 479 A C 2.297 179.811 177.584 -0.117 0.000 1.181 479 A CA 1.694 53.704 52.037 -0.046 0.000 0.627 479 A CB -0.598 18.369 19.000 -0.055 0.000 0.818 479 A HN 0.194 nan 8.150 nan 0.000 0.445 480 M N -0.731 118.781 119.600 -0.146 0.000 2.086 480 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 480 M C 2.599 178.940 176.300 0.070 0.000 1.067 480 M CA 1.470 56.662 55.300 -0.179 0.000 1.116 480 M CB -0.508 32.074 32.600 -0.031 0.000 1.348 480 M HN 0.491 nan 8.290 nan 0.000 0.407 481 A N 0.384 123.254 122.820 0.083 0.000 1.908 481 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 481 A C 2.128 179.772 177.584 0.099 0.000 1.181 481 A CA 2.132 54.234 52.037 0.108 0.000 0.627 481 A CB -0.656 18.400 19.000 0.094 0.000 0.818 481 A HN 0.424 nan 8.150 nan 0.000 0.445 482 K N -0.911 119.529 120.400 0.067 0.000 2.026 482 K HA -0.084 4.236 4.320 -0.000 0.000 0.208 482 K C 2.103 178.754 176.600 0.085 0.000 1.048 482 K CA 1.318 57.644 56.287 0.064 0.000 0.929 482 K CB -0.573 31.951 32.500 0.041 0.000 0.713 482 K HN 0.404 nan 8.250 nan 0.000 0.439 483 G N 1.498 110.346 108.800 0.080 0.000 2.491 483 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 483 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 483 G C 1.369 176.411 174.900 0.237 0.000 1.180 483 G CA 1.030 46.224 45.100 0.157 0.000 0.774 483 G HN 0.287 nan 8.290 nan 0.000 0.562 484 L N 0.680 122.067 121.223 0.273 0.000 2.043 484 L HA -0.097 4.243 4.340 -0.000 0.000 0.212 484 L C 2.655 179.627 176.870 0.171 0.000 1.075 484 L CA 2.096 57.056 54.840 0.199 0.000 0.752 484 L CB -0.494 41.660 42.059 0.159 0.000 0.891 484 L HN 0.149 nan 8.230 nan 0.000 0.432 485 E N -0.370 119.916 120.200 0.143 0.000 2.051 485 E HA -0.246 4.104 4.350 -0.000 0.000 0.192 485 E C 2.193 178.859 176.600 0.110 0.000 0.991 485 E CA 1.502 57.974 56.400 0.120 0.000 0.799 485 E CB -0.326 29.429 29.700 0.092 0.000 0.748 485 E HN 0.681 nan 8.360 nan 0.000 0.449 486 Q N 0.140 120.002 119.800 0.103 0.000 2.170 486 Q HA -0.052 4.288 4.340 -0.000 0.000 0.203 486 Q C 2.439 178.492 176.000 0.088 0.000 0.976 486 Q CA 0.754 56.606 55.803 0.082 0.000 0.858 486 Q CB -0.105 28.675 28.738 0.070 0.000 0.907 486 Q HN 0.246 nan 8.270 nan 0.000 0.433 487 L N 0.556 121.854 121.223 0.125 0.000 2.083 487 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 487 L C 2.247 179.197 176.870 0.133 0.000 1.083 487 L CA 1.224 56.148 54.840 0.139 0.000 0.752 487 L CB -0.298 41.879 42.059 0.197 0.000 0.899 487 L HN 0.173 nan 8.230 nan 0.000 0.433 488 K N -0.421 120.074 120.400 0.159 0.000 2.057 488 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 488 K C 2.020 178.641 176.600 0.034 0.000 1.049 488 K CA 1.307 57.650 56.287 0.093 0.000 0.931 488 K CB -0.236 32.339 32.500 0.126 0.000 0.714 488 K HN 0.110 nan 8.250 nan 0.000 0.440 489 V N 1.775 121.716 119.914 0.045 0.000 2.295 489 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 489 V C 2.193 178.294 176.094 0.012 0.000 1.049 489 V CA 1.683 63.998 62.300 0.024 0.000 1.024 489 V CB -0.400 31.441 31.823 0.030 0.000 0.648 489 V HN 0.274 nan 8.190 nan 0.000 0.447 490 I N -0.295 120.288 120.570 0.021 0.000 2.264 490 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 490 I C 2.754 178.870 176.117 -0.001 0.000 1.111 490 I CA 1.700 63.008 61.300 0.014 0.000 1.382 490 I CB -0.423 37.590 38.000 0.022 0.000 1.060 490 I HN 0.225 nan 8.210 nan 0.000 0.418 491 R N 0.774 121.266 120.500 -0.013 0.000 2.115 491 R HA -0.144 4.196 4.340 -0.000 0.000 0.226 491 R C 2.020 178.283 176.300 -0.062 0.000 1.100 491 R CA 1.124 57.194 56.100 -0.049 0.000 0.980 491 R CB 0.016 30.250 30.300 -0.110 0.000 0.875 491 R HN 0.296 nan 8.270 nan 0.000 0.445 492 E N 0.807 120.977 120.200 -0.050 0.000 2.072 492 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 492 E C 2.085 178.654 176.600 -0.051 0.000 0.985 492 E CA 1.036 57.405 56.400 -0.052 0.000 0.801 492 E CB -0.129 29.550 29.700 -0.035 0.000 0.750 492 E HN 0.360 nan 8.360 nan 0.000 0.452 493 R N 0.421 120.900 120.500 -0.034 0.000 2.103 493 R HA -0.158 4.182 4.340 -0.000 0.000 0.242 493 R C 2.442 178.712 176.300 -0.050 0.000 1.142 493 R CA 1.071 57.152 56.100 -0.032 0.000 0.960 493 R CB -0.480 29.814 30.300 -0.010 0.000 0.858 493 R HN 0.076 nan 8.270 nan 0.000 0.439 494 L N 1.669 122.864 121.223 -0.045 0.000 2.127 494 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 494 L C 1.413 178.177 176.870 -0.176 0.000 1.089 494 L CA 1.816 56.620 54.840 -0.060 0.000 0.757 494 L CB -0.204 41.852 42.059 -0.006 0.000 0.899 494 L HN -0.015 nan 8.230 nan 0.000 0.434 495 K N -0.598 119.708 120.400 -0.157 0.000 2.515 495 K HA -0.027 4.293 4.320 -0.000 0.000 0.196 495 K C 0.608 177.076 176.600 -0.221 0.000 1.038 495 K CA 0.656 56.824 56.287 -0.198 0.000 0.967 495 K CB -0.063 32.355 32.500 -0.137 0.000 0.780 495 K HN 0.349 nan 8.250 nan 0.000 0.483 496 N N 0.035 118.622 118.700 -0.189 0.000 2.291 496 N HA 0.116 4.856 4.740 -0.000 0.000 0.244 496 N C -0.917 174.494 175.510 -0.165 0.000 1.216 496 N CA -0.030 52.922 53.050 -0.164 0.000 0.879 496 N CB 1.172 39.602 38.487 -0.096 0.000 1.167 496 N HN 0.035 nan 8.380 nan 0.000 0.515 497 A N 1.374 124.043 122.820 -0.252 0.000 2.388 497 A HA 0.414 4.734 4.320 -0.000 0.000 0.257 497 A C 0.673 178.207 177.584 -0.084 0.000 1.095 497 A CA -0.436 51.523 52.037 -0.130 0.000 0.791 497 A CB 0.426 19.412 19.000 -0.023 0.000 1.029 497 A HN 0.376 nan 8.150 nan 0.000 0.489 498 R N 1.101 121.668 120.500 0.113 0.000 2.536 498 R HA 0.677 5.017 4.340 -0.000 0.000 0.279 498 R C -1.074 175.418 176.300 0.320 0.000 1.001 498 R CA -0.710 55.486 56.100 0.161 0.000 1.027 498 R CB 0.789 31.142 30.300 0.087 0.000 1.096 498 R HN 0.486 nan 8.270 nan 0.000 0.502 499 L N 2.522 123.915 121.223 0.282 0.000 2.294 499 L HA 0.325 4.665 4.340 -0.000 0.000 0.283 499 L C -0.441 176.482 176.870 0.089 0.000 1.015 499 L CA -0.063 54.894 54.840 0.195 0.000 0.831 499 L CB 1.535 43.725 42.059 0.219 0.000 1.217 499 L HN 0.732 nan 8.230 nan 0.000 0.420 500 D N 1.408 121.837 120.400 0.048 0.000 2.289 500 D HA -0.006 4.634 4.640 -0.000 0.000 0.207 500 D C -0.252 176.054 176.300 0.011 0.000 0.966 500 D CA 0.790 54.806 54.000 0.028 0.000 0.868 500 D CB 0.301 41.113 40.800 0.020 0.000 0.943 500 D HN 0.604 nan 8.370 nan 0.000 0.514 501 D N -0.558 119.839 120.400 -0.005 0.000 2.280 501 D HA 0.106 4.746 4.640 -0.000 0.000 0.236 501 D C 0.434 176.726 176.300 -0.014 0.000 1.082 501 D CA -0.013 53.979 54.000 -0.014 0.000 0.834 501 D CB 1.541 42.324 40.800 -0.028 0.000 1.100 501 D HN -0.250 nan 8.370 nan 0.000 0.486 502 T N 1.268 115.819 114.554 -0.004 0.000 3.023 502 T HA 0.097 4.447 4.350 -0.000 0.000 0.253 502 T C 0.735 175.431 174.700 -0.007 0.000 1.038 502 T CA 0.292 62.392 62.100 0.001 0.000 0.962 502 T CB -0.087 68.788 68.868 0.010 0.000 1.018 502 T HN 0.495 nan 8.240 nan 0.000 0.521 503 S N 0.857 116.551 115.700 -0.010 0.000 2.587 503 S HA 0.185 4.655 4.470 -0.000 0.000 0.260 503 S C 1.401 175.988 174.600 -0.021 0.000 1.353 503 S CA 0.182 58.377 58.200 -0.009 0.000 0.995 503 S CB 1.046 64.245 63.200 -0.003 0.000 0.912 503 S HN 0.386 nan 8.310 nan 0.000 0.568 504 S N -1.274 114.416 115.700 -0.016 0.000 2.554 504 S HA 0.215 4.685 4.470 -0.000 0.000 0.227 504 S C 0.198 174.781 174.600 -0.028 0.000 1.050 504 S CA -0.186 57.995 58.200 -0.031 0.000 0.927 504 S CB -0.429 62.758 63.200 -0.022 0.000 0.859 504 S HN 0.765 nan 8.310 nan 0.000 0.494 505 E N 1.626 121.829 120.200 0.006 0.000 2.070 505 E HA 0.382 4.732 4.350 -0.000 0.000 0.282 505 E C -0.779 175.893 176.600 0.119 0.000 1.104 505 E CA -0.660 55.768 56.400 0.046 0.000 0.876 505 E CB -0.690 29.040 29.700 0.051 0.000 1.055 505 E HN 0.281 nan 8.360 nan 0.000 0.401 506 F N 3.497 123.410 119.950 -0.061 0.000 2.829 506 F HA -0.298 4.229 4.527 -0.000 0.000 0.237 506 F C -0.222 175.538 175.800 -0.067 0.000 1.017 506 F CA 0.506 58.468 58.000 -0.063 0.000 0.882 506 F CB -0.459 38.513 39.000 -0.047 0.000 0.795 506 F HN 0.466 nan 8.300 nan 0.000 0.848 507 N N 1.289 119.949 118.700 -0.066 0.000 2.482 507 N HA 0.122 4.862 4.740 -0.000 0.000 0.242 507 N C 1.154 176.574 175.510 -0.150 0.000 1.100 507 N CA 0.500 53.508 53.050 -0.070 0.000 0.946 507 N CB 0.868 39.306 38.487 -0.082 0.000 1.227 507 N HN 0.368 nan 8.380 nan 0.000 0.508 508 T N 0.598 115.100 114.554 -0.086 0.000 3.023 508 T HA -0.126 4.224 4.350 -0.000 0.000 0.266 508 T C 1.465 176.065 174.700 -0.166 0.000 1.093 508 T CA 0.685 62.708 62.100 -0.127 0.000 1.129 508 T CB 0.027 68.884 68.868 -0.018 0.000 0.899 508 T HN 0.377 nan 8.240 nan 0.000 0.491 509 Q N 1.976 121.691 119.800 -0.141 0.000 2.061 509 Q HA -0.087 4.253 4.340 -0.000 0.000 0.204 509 Q C 2.454 178.290 176.000 -0.273 0.000 0.984 509 Q CA 1.858 57.559 55.803 -0.170 0.000 0.846 509 Q CB -0.431 28.237 28.738 -0.117 0.000 0.902 509 Q HN 0.642 nan 8.270 nan 0.000 0.421 510 R N -0.818 119.520 120.500 -0.271 0.000 2.083 510 R HA -0.148 4.192 4.340 -0.000 0.000 0.237 510 R C 2.049 178.051 176.300 -0.496 0.000 1.137 510 R CA 1.773 57.657 56.100 -0.360 0.000 0.951 510 R CB -0.424 29.719 30.300 -0.261 0.000 0.851 510 R HN 0.257 nan 8.270 nan 0.000 0.434 511 V N 1.352 120.986 119.914 -0.468 0.000 2.252 511 V HA -0.272 3.848 4.120 -0.000 0.000 0.249 511 V C 2.091 177.873 176.094 -0.521 0.000 1.056 511 V CA 2.347 64.275 62.300 -0.619 0.000 1.022 511 V CB -0.573 30.961 31.823 -0.481 0.000 0.641 511 V HN 0.457 nan 8.190 nan 0.000 0.445 512 E N -1.075 118.907 120.200 -0.363 0.000 2.204 512 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 512 E C 2.206 178.591 176.600 -0.358 0.000 0.990 512 E CA 1.505 57.739 56.400 -0.277 0.000 0.821 512 E CB -0.281 29.304 29.700 -0.191 0.000 0.750 512 E HN 0.633 nan 8.360 nan 0.000 0.477 513 C N 0.348 119.296 119.300 -0.586 0.000 2.453 513 C HA -0.079 4.381 4.460 -0.000 0.000 0.277 513 C C 2.520 176.954 174.990 -0.927 0.000 1.262 513 C CA 0.335 58.742 59.018 -1.019 0.000 1.718 513 C CB -0.842 25.809 27.740 -1.814 0.000 2.031 513 C HN 0.421 nan 8.230 nan 0.000 0.480 514 L N 0.651 121.387 121.223 -0.812 0.000 2.079 514 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 514 L C 2.632 179.457 176.870 -0.076 0.000 1.081 514 L CA 1.658 56.279 54.840 -0.364 0.000 0.752 514 L CB -0.727 41.096 42.059 -0.394 0.000 0.896 514 L HN 0.475 nan 8.230 nan 0.000 0.433 515 E N -0.236 119.886 120.200 -0.130 0.000 2.077 515 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 515 E C 2.111 178.734 176.600 0.038 0.000 0.989 515 E CA 1.051 57.470 56.400 0.032 0.000 0.800 515 E CB -0.181 29.519 29.700 -0.000 0.000 0.746 515 E HN 0.242 nan 8.360 nan 0.000 0.452 516 L N 1.862 123.080 121.223 -0.008 0.000 2.079 516 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 516 L C 1.444 178.387 176.870 0.122 0.000 1.081 516 L CA 1.858 56.730 54.840 0.054 0.000 0.752 516 L CB -0.425 41.671 42.059 0.062 0.000 0.896 516 L HN 0.007 nan 8.230 nan 0.000 0.433 517 D N -0.409 120.105 120.400 0.190 0.000 2.149 517 D HA -0.180 4.460 4.640 -0.000 0.000 0.198 517 D C 1.812 178.183 176.300 0.119 0.000 0.990 517 D CA 1.265 55.381 54.000 0.193 0.000 0.839 517 D CB -0.228 40.728 40.800 0.261 0.000 0.948 517 D HN 0.467 nan 8.370 nan 0.000 0.460 518 N N 0.298 119.064 118.700 0.110 0.000 2.300 518 N HA -0.021 4.719 4.740 -0.000 0.000 0.179 518 N C 2.148 177.695 175.510 0.061 0.000 1.016 518 N CA 0.154 53.254 53.050 0.084 0.000 0.876 518 N CB -0.193 38.348 38.487 0.089 0.000 0.979 518 N HN 0.251 nan 8.380 nan 0.000 0.432 519 L N 0.284 121.538 121.223 0.053 0.000 2.079 519 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 519 L C 2.380 179.259 176.870 0.014 0.000 1.081 519 L CA 1.002 55.857 54.840 0.025 0.000 0.752 519 L CB -0.255 41.812 42.059 0.014 0.000 0.896 519 L HN 0.138 nan 8.230 nan 0.000 0.433 520 M N -0.292 119.328 119.600 0.034 0.000 2.132 520 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 520 M C 2.143 178.467 176.300 0.039 0.000 1.065 520 M CA 1.705 57.023 55.300 0.029 0.000 1.122 520 M CB -0.371 32.250 32.600 0.036 0.000 1.365 520 M HN 0.052 nan 8.290 nan 0.000 0.411 521 E N -0.670 119.557 120.200 0.045 0.000 2.077 521 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 521 E C 2.031 178.651 176.600 0.034 0.000 0.989 521 E CA 1.947 58.381 56.400 0.056 0.000 0.800 521 E CB -0.881 28.856 29.700 0.062 0.000 0.746 521 E HN 0.523 nan 8.360 nan 0.000 0.452 522 T N 1.508 116.078 114.554 0.027 0.000 2.746 522 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 522 T C 1.995 176.684 174.700 -0.017 0.000 1.039 522 T CA 1.562 63.679 62.100 0.027 0.000 1.142 522 T CB -0.221 68.696 68.868 0.081 0.000 0.866 522 T HN 0.280 nan 8.240 nan 0.000 0.444 523 A N 0.463 123.251 122.820 -0.053 0.000 1.873 523 A HA -0.076 4.244 4.320 -0.000 0.000 0.215 523 A C 2.106 179.580 177.584 -0.183 0.000 1.186 523 A CA 1.455 53.399 52.037 -0.155 0.000 0.616 523 A CB -1.080 17.829 19.000 -0.151 0.000 0.823 523 A HN 0.542 nan 8.150 nan 0.000 0.442 524 Y N 0.647 120.824 120.300 -0.205 0.000 2.128 524 Y HA -0.164 4.386 4.550 -0.000 0.000 0.284 524 Y C 2.726 178.414 175.900 -0.353 0.000 1.154 524 Y CA 1.499 59.466 58.100 -0.220 0.000 1.149 524 Y CB -0.563 37.814 38.460 -0.137 0.000 0.976 524 Y HN 0.311 nan 8.280 nan 0.000 0.505 525 A N -0.993 121.588 122.820 -0.399 0.000 1.902 525 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 525 A C 2.240 179.535 177.584 -0.482 0.000 1.181 525 A CA 2.254 53.825 52.037 -0.777 0.000 0.623 525 A CB -1.344 17.262 19.000 -0.657 0.000 0.818 525 A HN 0.512 nan 8.150 nan 0.000 0.443 526 T N 0.319 114.700 114.554 -0.288 0.000 2.684 526 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 526 T C 2.234 176.703 174.700 -0.385 0.000 1.036 526 T CA 1.868 63.860 62.100 -0.179 0.000 1.148 526 T CB -0.485 68.366 68.868 -0.028 0.000 0.863 526 T HN 0.614 nan 8.240 nan 0.000 0.436 527 A N 0.842 123.254 122.820 -0.680 0.000 1.873 527 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 527 A C 2.595 179.974 177.584 -0.342 0.000 1.186 527 A CA 1.316 52.812 52.037 -0.902 0.000 0.616 527 A CB -1.017 17.441 19.000 -0.903 0.000 0.823 527 A HN 0.346 nan 8.150 nan 0.000 0.442 528 V N 0.180 119.838 119.914 -0.427 0.000 2.392 528 V HA -0.238 3.882 4.120 -0.000 0.000 0.249 528 V C 2.758 178.826 176.094 -0.043 0.000 1.059 528 V CA 2.387 64.539 62.300 -0.246 0.000 1.051 528 V CB -0.760 30.865 31.823 -0.330 0.000 0.658 528 V HN 0.567 nan 8.190 nan 0.000 0.455 529 S N 0.063 115.715 115.700 -0.081 0.000 2.371 529 S HA -0.044 4.426 4.470 -0.000 0.000 0.224 529 S C 2.244 176.885 174.600 0.068 0.000 1.029 529 S CA 1.144 59.370 58.200 0.044 0.000 0.978 529 S CB -0.414 62.782 63.200 -0.007 0.000 0.833 529 S HN 0.637 nan 8.310 nan 0.000 0.466 530 A N 2.880 125.733 122.820 0.055 0.000 1.908 530 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 530 A C 1.977 179.720 177.584 0.265 0.000 1.181 530 A CA 1.470 53.619 52.037 0.186 0.000 0.627 530 A CB -0.712 18.561 19.000 0.455 0.000 0.818 530 A HN 0.447 nan 8.150 nan 0.000 0.445 531 N N -1.134 117.723 118.700 0.263 0.000 2.084 531 N HA -0.159 4.581 4.740 -0.000 0.000 0.190 531 N C 1.569 177.180 175.510 0.168 0.000 1.030 531 N CA 1.675 54.861 53.050 0.225 0.000 0.849 531 N CB -0.464 38.151 38.487 0.214 0.000 1.012 531 N HN 0.527 nan 8.380 nan 0.000 0.423 532 F N 2.055 122.020 119.950 0.025 0.000 2.126 532 F HA -0.078 4.449 4.527 -0.000 0.000 0.299 532 F C 1.258 176.978 175.800 -0.134 0.000 1.096 532 F CA 0.995 59.014 58.000 0.031 0.000 1.255 532 F CB -0.136 38.915 39.000 0.084 0.000 0.997 532 F HN -0.170 nan 8.300 nan 0.000 0.479 533 R N 1.302 121.509 120.500 -0.488 0.000 2.272 533 R HA 0.109 4.449 4.340 -0.000 0.000 0.334 533 R C -0.355 175.392 176.300 -0.922 0.000 1.117 533 R CA 0.486 55.850 56.100 -1.226 0.000 0.966 533 R CB -0.151 29.586 30.300 -0.939 0.000 1.049 533 R HN 0.269 nan 8.270 nan 0.000 0.477 534 T N 1.610 115.407 114.554 -1.262 0.000 3.783 534 T HA 0.203 4.553 4.350 -0.000 0.000 0.262 534 T C -0.240 173.831 174.700 -1.049 0.000 1.381 534 T CA -0.548 60.876 62.100 -1.126 0.000 1.155 534 T CB -0.345 67.747 68.868 -1.295 0.000 1.256 534 T HN 0.780 nan 8.240 nan 0.000 0.807 535 E N -0.654 119.179 120.200 -0.612 0.000 2.425 535 E HA 0.635 4.985 4.350 -0.000 0.000 0.272 535 E C -1.547 174.999 176.600 -0.090 0.000 1.061 535 E CA -1.262 54.990 56.400 -0.248 0.000 0.877 535 E CB 0.700 30.219 29.700 -0.301 0.000 1.590 535 E HN 0.006 nan 8.360 nan 0.000 0.462 536 S N -0.211 115.483 115.700 -0.010 0.000 2.659 536 S HA 0.591 5.061 4.470 -0.000 0.000 0.312 536 S C -1.149 173.481 174.600 0.051 0.000 1.114 536 S CA -0.702 57.490 58.200 -0.013 0.000 1.063 536 S CB 0.946 64.131 63.200 -0.024 0.000 0.996 536 S HN 0.459 nan 8.310 nan 0.000 0.478 537 R N 2.038 122.590 120.500 0.088 0.000 2.564 537 R HA 0.559 4.899 4.340 -0.000 0.000 0.284 537 R C 0.818 177.188 176.300 0.116 0.000 1.031 537 R CA 0.247 56.411 56.100 0.107 0.000 0.904 537 R CB 0.983 31.350 30.300 0.112 0.000 1.199 537 R HN 0.854 nan 8.270 nan 0.000 0.443 538 G N 2.448 111.310 108.800 0.103 0.000 2.684 538 G HA2 -0.480 3.480 3.960 -0.000 0.000 0.332 538 G HA3 -0.480 3.480 3.960 -0.000 0.000 0.332 538 G C 0.848 175.802 174.900 0.089 0.000 1.306 538 G CA 0.882 46.040 45.100 0.097 0.000 1.002 538 G HN 0.873 nan 8.290 nan 0.000 0.545 539 A N -0.725 122.164 122.820 0.116 0.000 2.121 539 A HA 0.207 4.527 4.320 -0.000 0.000 0.218 539 A C 1.303 178.977 177.584 0.149 0.000 1.154 539 A CA 1.998 54.113 52.037 0.131 0.000 0.679 539 A CB -0.365 18.757 19.000 0.204 0.000 0.795 539 A HN 1.343 nan 8.150 nan 0.000 0.458 540 H N 0.285 119.390 119.070 0.059 0.000 2.782 540 H HA 0.564 5.120 4.556 -0.000 0.000 0.285 540 H C -0.700 174.622 175.328 -0.010 0.000 1.093 540 H CA 0.136 56.209 56.048 0.043 0.000 1.410 540 H CB 0.291 30.075 29.762 0.037 0.000 1.439 540 H HN 0.067 nan 8.280 nan 0.000 0.469 541 S N 5.253 120.749 115.700 -0.339 0.000 2.561 541 S HA 0.558 5.028 4.470 -0.000 0.000 0.303 541 S C -0.875 173.494 174.600 -0.385 0.000 1.110 541 S CA -0.815 57.201 58.200 -0.306 0.000 1.034 541 S CB 0.456 63.534 63.200 -0.203 0.000 1.010 541 S HN 0.767 nan 8.310 nan 0.000 0.482 542 R N 2.779 123.074 120.500 -0.341 0.000 2.561 542 R HA 0.387 4.727 4.340 -0.000 0.000 0.297 542 R C -0.212 175.967 176.300 -0.202 0.000 0.969 542 R CA -0.587 55.355 56.100 -0.264 0.000 0.879 542 R CB 0.942 31.181 30.300 -0.101 0.000 1.178 542 R HN 0.560 nan 8.270 nan 0.000 0.445 543 F N 1.176 121.121 119.950 -0.008 0.000 2.259 543 F HA -0.151 4.376 4.527 0.000 0.000 0.298 543 F C 2.103 177.851 175.800 -0.086 0.000 1.088 543 F CA 1.152 59.119 58.000 -0.054 0.000 1.358 543 F CB -0.009 38.937 39.000 -0.091 0.000 1.040 543 F HN 0.577 nan 8.300 nan 0.000 0.505 544 D N -1.195 119.243 120.400 0.063 0.000 2.355 544 D HA -0.127 4.513 4.640 -0.000 0.000 0.218 544 D C 0.010 175.992 176.300 -0.529 0.000 1.004 544 D CA 0.593 54.484 54.000 -0.183 0.000 0.880 544 D CB -0.499 40.214 40.800 -0.145 0.000 0.911 544 D HN 0.250 nan 8.370 nan 0.000 0.528 545 F N 0.234 120.184 119.950 -0.001 0.000 2.872 545 F HA 0.265 4.792 4.527 0.000 0.000 0.363 545 F C -1.931 173.852 175.800 -0.028 0.000 1.357 545 F CA -1.740 56.252 58.000 -0.012 0.000 1.174 545 F CB 1.936 40.912 39.000 -0.039 0.000 1.860 545 F HN -0.239 nan 8.300 nan 0.000 0.615 546 P HA -0.049 nan 4.420 nan 0.000 0.230 546 P C -0.141 177.206 177.300 0.078 0.000 1.158 546 P CA 1.051 64.192 63.100 0.068 0.000 0.769 546 P CB 0.483 32.226 31.700 0.071 0.000 0.807 547 D N -0.045 120.419 120.400 0.107 0.000 2.326 547 D HA 0.228 4.868 4.640 -0.000 0.000 0.251 547 D C 0.148 176.508 176.300 0.100 0.000 1.023 547 D CA -0.575 53.485 54.000 0.100 0.000 0.966 547 D CB 1.378 42.241 40.800 0.105 0.000 1.156 547 D HN -0.169 nan 8.370 nan 0.000 0.494 548 R N 1.013 121.569 120.500 0.094 0.000 2.265 548 R HA 0.135 4.475 4.340 -0.000 0.000 0.314 548 R C -0.864 175.505 176.300 0.116 0.000 1.053 548 R CA -0.367 55.794 56.100 0.101 0.000 0.931 548 R CB 0.551 30.912 30.300 0.102 0.000 1.024 548 R HN 0.241 nan 8.270 nan 0.000 0.457 549 D N 3.112 123.603 120.400 0.153 0.000 2.472 549 D HA 0.102 4.742 4.640 -0.000 0.000 0.234 549 D C -0.396 176.009 176.300 0.175 0.000 1.088 549 D CA -0.400 53.711 54.000 0.185 0.000 0.882 549 D CB 1.203 42.177 40.800 0.290 0.000 1.037 549 D HN 0.445 nan 8.370 nan 0.000 0.520 550 D N 2.134 122.595 120.400 0.101 0.000 2.347 550 D HA -0.030 4.610 4.640 -0.000 0.000 0.213 550 D C 1.313 177.633 176.300 0.034 0.000 0.985 550 D CA 0.464 54.504 54.000 0.067 0.000 0.879 550 D CB 0.493 41.309 40.800 0.026 0.000 0.919 550 D HN 0.590 nan 8.370 nan 0.000 0.526 551 E N -0.059 120.157 120.200 0.027 0.000 2.158 551 E HA 0.021 4.371 4.350 -0.000 0.000 0.191 551 E C 1.181 177.738 176.600 -0.070 0.000 0.982 551 E CA 0.469 56.861 56.400 -0.014 0.000 0.823 551 E CB 0.298 29.995 29.700 -0.005 0.000 0.766 551 E HN 0.189 nan 8.360 nan 0.000 0.468 552 N N -1.579 117.064 118.700 -0.094 0.000 2.257 552 N HA 0.033 4.773 4.740 -0.000 0.000 0.200 552 N C 0.137 175.265 175.510 -0.638 0.000 1.163 552 N CA 0.258 53.091 53.050 -0.362 0.000 0.891 552 N CB 0.552 38.803 38.487 -0.394 0.000 1.067 552 N HN 0.158 nan 8.380 nan 0.000 0.497 553 W N 0.616 121.891 121.300 -0.041 0.000 2.007 553 W HA 0.369 5.029 4.660 -0.000 0.000 0.301 553 W C -0.111 176.392 176.519 -0.027 0.000 0.887 553 W CA -0.424 56.894 57.345 -0.045 0.000 1.625 553 W CB 0.252 29.675 29.460 -0.061 0.000 1.078 553 W HN -0.172 nan 8.180 nan 0.000 0.502 554 L N 3.567 124.859 121.223 0.115 0.000 2.376 554 L HA 0.320 4.660 4.340 -0.000 0.000 0.250 554 L C 0.247 177.126 176.870 0.016 0.000 1.335 554 L CA -0.236 54.644 54.840 0.066 0.000 1.214 554 L CB -1.259 40.822 42.059 0.036 0.000 1.395 554 L HN 0.200 nan 8.230 nan 0.000 0.424 555 C N -0.418 118.891 119.300 0.016 0.000 3.231 555 C HA 0.428 4.888 4.460 -0.000 0.000 0.343 555 C C -0.366 174.596 174.990 -0.047 0.000 1.349 555 C CA -1.173 57.825 59.018 -0.033 0.000 1.209 555 C CB 1.214 28.974 27.740 0.032 0.000 1.475 555 C HN 0.497 nan 8.230 nan 0.000 0.460 556 H N 1.341 120.488 119.070 0.130 0.000 2.505 556 H HA 0.597 5.153 4.556 -0.000 0.000 0.351 556 H C 0.502 175.944 175.328 0.191 0.000 1.151 556 H CA 0.851 56.976 56.048 0.129 0.000 1.339 556 H CB 1.820 31.625 29.762 0.070 0.000 1.483 556 H HN 0.956 nan 8.280 nan 0.000 0.558 557 S N 2.223 118.120 115.700 0.329 0.000 2.489 557 S HA 0.441 4.911 4.470 -0.000 0.000 0.291 557 S C -0.530 174.181 174.600 0.185 0.000 1.151 557 S CA -0.888 57.517 58.200 0.342 0.000 1.082 557 S CB 1.255 64.714 63.200 0.432 0.000 1.019 557 S HN 0.364 nan 8.310 nan 0.000 0.492 558 L N 3.621 124.907 121.223 0.104 0.000 2.372 558 L HA 0.501 4.841 4.340 -0.000 0.000 0.274 558 L C -1.399 175.471 176.870 0.000 0.000 0.988 558 L CA -0.783 54.082 54.840 0.041 0.000 0.833 558 L CB 1.497 43.564 42.059 0.014 0.000 1.236 558 L HN 0.863 nan 8.230 nan 0.000 0.410 559 Y N 5.735 125.986 120.300 -0.082 0.000 2.365 559 Y HA 0.566 5.116 4.550 -0.000 0.000 0.340 559 Y C -1.017 174.845 175.900 -0.065 0.000 1.016 559 Y CA -0.525 57.519 58.100 -0.092 0.000 1.196 559 Y CB 0.685 39.106 38.460 -0.064 0.000 1.167 559 Y HN 0.528 nan 8.280 nan 0.000 0.509 560 L N 10.033 130.901 121.223 -0.591 0.000 2.255 560 L HA 0.334 4.674 4.340 -0.000 0.000 0.289 560 L C -1.755 174.727 176.870 -0.646 0.000 1.046 560 L CA -1.851 52.708 54.840 -0.469 0.000 0.816 560 L CB 1.214 43.104 42.059 -0.282 0.000 1.197 560 L HN 0.556 nan 8.230 nan 0.000 0.427 561 P HA -0.140 nan 4.420 nan 0.000 0.217 561 P C 1.016 178.211 177.300 -0.176 0.000 1.150 561 P CA 1.167 64.089 63.100 -0.296 0.000 0.832 561 P CB 0.350 32.008 31.700 -0.070 0.000 0.787 562 E N -0.117 119.997 120.200 -0.143 0.000 2.077 562 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 562 E C 1.714 178.263 176.600 -0.086 0.000 0.989 562 E CA 1.767 58.114 56.400 -0.090 0.000 0.800 562 E CB -0.453 29.202 29.700 -0.075 0.000 0.746 562 E HN 0.343 nan 8.360 nan 0.000 0.452 563 S N -0.039 115.590 115.700 -0.117 0.000 2.556 563 S HA 0.081 4.551 4.470 -0.000 0.000 0.216 563 S C 0.211 174.760 174.600 -0.084 0.000 0.970 563 S CA -0.199 57.950 58.200 -0.086 0.000 0.912 563 S CB 0.096 63.245 63.200 -0.085 0.000 0.790 563 S HN 0.174 nan 8.310 nan 0.000 0.504 564 E N 1.602 121.713 120.200 -0.149 0.000 2.238 564 E HA -0.192 4.157 4.350 -0.000 0.000 0.219 564 E C -0.088 176.482 176.600 -0.051 0.000 1.275 564 E CA 0.631 56.981 56.400 -0.084 0.000 0.714 564 E CB -1.892 27.914 29.700 0.177 0.000 1.154 564 E HN 0.828 nan 8.360 nan 0.000 0.363 565 S N -1.296 114.285 115.700 -0.198 0.000 2.709 565 S HA 0.793 5.263 4.470 -0.000 0.000 0.302 565 S C -0.056 174.407 174.600 -0.229 0.000 1.127 565 S CA -1.224 56.896 58.200 -0.133 0.000 0.905 565 S CB 2.075 65.217 63.200 -0.095 0.000 1.151 565 S HN 0.084 nan 8.310 nan 0.000 0.510 566 M N 1.333 120.741 119.600 -0.320 0.000 2.598 566 M HA 0.690 5.170 4.480 -0.000 0.000 0.317 566 M C 0.193 176.177 176.300 -0.527 0.000 1.201 566 M CA -0.304 54.632 55.300 -0.607 0.000 0.971 566 M CB 1.386 33.125 32.600 -1.436 0.000 1.657 566 M HN 1.058 nan 8.290 nan 0.000 0.470 567 T N 0.587 114.899 114.554 -0.403 0.000 2.637 567 T HA 0.644 4.994 4.350 -0.000 0.000 0.303 567 T C -1.462 173.272 174.700 0.058 0.000 1.288 567 T CA -0.727 61.304 62.100 -0.116 0.000 1.040 567 T CB 1.735 70.560 68.868 -0.071 0.000 1.644 567 T HN 0.705 nan 8.240 nan 0.000 0.480 568 R N 0.682 121.241 120.500 0.099 0.000 2.854 568 R HA 0.732 5.072 4.340 -0.000 0.000 0.271 568 R C -0.710 175.646 176.300 0.094 0.000 0.994 568 R CA -1.015 55.170 56.100 0.141 0.000 0.945 568 R CB 2.005 32.368 30.300 0.104 0.000 1.194 568 R HN 0.488 nan 8.270 nan 0.000 0.476 569 R N 0.194 120.777 120.500 0.138 0.000 2.750 569 R HA 0.351 4.691 4.340 -0.000 0.000 0.281 569 R C -0.516 175.882 176.300 0.163 0.000 0.972 569 R CA -0.640 55.537 56.100 0.127 0.000 0.912 569 R CB 2.505 32.879 30.300 0.124 0.000 1.187 569 R HN 0.594 nan 8.270 nan 0.000 0.464 570 S N 0.859 116.627 115.700 0.113 0.000 2.558 570 S HA 0.027 4.497 4.470 -0.000 0.000 0.287 570 S C 0.151 174.856 174.600 0.176 0.000 1.321 570 S CA -0.429 57.828 58.200 0.096 0.000 1.048 570 S CB 0.631 63.870 63.200 0.064 0.000 0.844 570 S HN 0.238 nan 8.310 nan 0.000 0.512 571 V N 3.924 123.870 119.914 0.054 0.000 2.498 571 V HA 0.183 4.303 4.120 -0.000 0.000 0.279 571 V C 0.728 176.880 176.094 0.097 0.000 1.048 571 V CA -0.837 61.492 62.300 0.048 0.000 0.967 571 V CB 1.075 32.846 31.823 -0.087 0.000 0.988 571 V HN 0.824 nan 8.190 nan 0.000 0.473 572 N N 5.256 124.035 118.700 0.132 0.000 2.497 572 N HA 0.260 5.000 4.740 -0.000 0.000 0.271 572 N C -0.370 175.199 175.510 0.097 0.000 1.142 572 N CA -0.010 53.097 53.050 0.095 0.000 0.965 572 N CB 0.946 39.484 38.487 0.085 0.000 1.077 572 N HN 0.670 nan 8.380 nan 0.000 0.462 573 M N 2.854 122.502 119.600 0.081 0.000 3.189 573 M HA 0.193 4.673 4.480 -0.000 0.000 0.365 573 M C -0.888 175.453 176.300 0.068 0.000 1.447 573 M CA -0.081 55.272 55.300 0.088 0.000 0.739 573 M CB 0.479 33.128 32.600 0.082 0.000 1.411 573 M HN 0.392 nan 8.290 nan 0.000 0.494 574 E N 2.380 122.620 120.200 0.068 0.000 3.132 574 E HA 0.265 4.615 4.350 -0.000 0.000 0.241 574 E C -2.427 174.215 176.600 0.069 0.000 1.196 574 E CA -1.580 54.852 56.400 0.054 0.000 0.869 574 E CB 1.552 31.276 29.700 0.040 0.000 1.387 574 E HN 0.144 nan 8.360 nan 0.000 0.393 575 P HA -0.035 nan 4.420 nan 0.000 0.269 575 P C 0.248 177.604 177.300 0.092 0.000 1.217 575 P CA -0.156 63.013 63.100 0.115 0.000 0.783 575 P CB 1.202 32.985 31.700 0.139 0.000 0.898 576 K N 1.017 121.481 120.400 0.107 0.000 2.308 576 K HA 0.184 4.504 4.320 -0.000 0.000 0.197 576 K C 1.623 178.283 176.600 0.100 0.000 1.049 576 K CA 0.755 57.093 56.287 0.085 0.000 0.991 576 K CB 0.006 32.550 32.500 0.074 0.000 0.836 576 K HN 0.417 nan 8.250 nan 0.000 0.500 577 L N 0.654 121.972 121.223 0.158 0.000 2.638 577 L HA 0.184 4.524 4.340 -0.000 0.000 0.232 577 L C 0.593 177.577 176.870 0.189 0.000 1.099 577 L CA -0.156 54.804 54.840 0.201 0.000 0.883 577 L CB 0.279 42.527 42.059 0.314 0.000 1.136 577 L HN 0.068 nan 8.230 nan 0.000 0.492 578 R N -1.416 119.166 120.500 0.136 0.000 2.728 578 R HA 0.526 4.866 4.340 -0.000 0.000 0.274 578 R C -3.138 173.132 176.300 -0.049 0.000 1.030 578 R CA -1.532 54.583 56.100 0.025 0.000 0.876 578 R CB 0.399 30.696 30.300 -0.004 0.000 1.259 578 R HN -0.357 nan 8.270 nan 0.000 0.468 579 P HA 0.168 nan 4.420 nan 0.000 0.272 579 P C -0.622 176.523 177.300 -0.259 0.000 1.230 579 P CA -0.363 62.640 63.100 -0.162 0.000 0.788 579 P CB 0.668 32.265 31.700 -0.173 0.000 0.949 580 A N 1.627 124.361 122.820 -0.144 0.000 2.483 580 A HA 0.240 4.560 4.320 -0.000 0.000 0.238 580 A C -0.384 177.099 177.584 -0.167 0.000 1.070 580 A CA 0.014 51.997 52.037 -0.091 0.000 0.770 580 A CB -0.753 18.257 19.000 0.015 0.000 1.008 580 A HN 0.384 nan 8.150 nan 0.000 0.497 581 F N 3.478 123.509 119.950 0.135 0.000 2.413 581 F HA 0.318 4.845 4.527 -0.000 0.000 0.359 581 F C -1.451 174.437 175.800 0.147 0.000 1.122 581 F CA -1.851 56.250 58.000 0.168 0.000 1.160 581 F CB 0.744 39.895 39.000 0.253 0.000 1.146 581 F HN 0.368 nan 8.300 nan 0.000 0.514 582 P HA 0.175 nan 4.420 nan 0.000 0.275 582 P C -2.694 174.495 177.300 -0.184 0.000 1.228 582 P CA -1.606 61.517 63.100 0.038 0.000 0.786 582 P CB 0.235 31.937 31.700 0.003 0.000 0.927 583 P HA 0.118 nan 4.420 nan 0.000 0.265 583 P C -0.151 176.773 177.300 -0.627 0.000 1.193 583 P CA 0.449 62.993 63.100 -0.927 0.000 0.765 583 P CB 0.257 31.695 31.700 -0.437 0.000 0.823 584 K N 1.596 121.556 120.400 -0.734 0.000 2.533 584 K HA 0.498 4.818 4.320 -0.000 0.000 0.284 584 K C -0.852 175.678 176.600 -0.117 0.000 1.025 584 K CA -1.126 55.008 56.287 -0.255 0.000 0.900 584 K CB 0.799 33.232 32.500 -0.112 0.000 1.519 584 K HN 0.066 nan 8.250 nan 0.000 0.432 585 I N 1.800 122.351 120.570 -0.031 0.000 2.752 585 I HA -0.016 4.153 4.170 -0.000 0.000 0.289 585 I C 0.538 176.681 176.117 0.043 0.000 1.197 585 I CA 0.385 61.696 61.300 0.017 0.000 1.432 585 I CB 0.319 38.329 38.000 0.017 0.000 1.359 585 I HN 0.466 nan 8.210 nan 0.000 0.571 586 R N 6.037 126.574 120.500 0.062 0.000 2.287 586 R HA 0.365 4.705 4.340 -0.000 0.000 0.316 586 R C -0.940 175.328 176.300 -0.052 0.000 1.050 586 R CA -0.352 55.757 56.100 0.015 0.000 0.983 586 R CB 0.558 30.913 30.300 0.091 0.000 1.140 586 R HN 0.786 nan 8.270 nan 0.000 0.528 587 T N 0.093 114.577 114.554 -0.117 0.000 2.907 587 T HA 0.457 4.807 4.350 -0.000 0.000 0.292 587 T C -0.682 173.896 174.700 -0.203 0.000 1.043 587 T CA -0.571 61.488 62.100 -0.068 0.000 1.003 587 T CB 1.375 70.260 68.868 0.028 0.000 1.084 587 T HN 0.328 nan 8.240 nan 0.000 0.483 588 Y N 0.000 120.337 120.300 0.062 0.000 2.660 588 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 588 Y CA 0.000 58.130 58.100 0.051 0.000 1.940 588 Y CB 0.000 38.484 38.460 0.040 0.000 1.050 588 Y HN 0.000 nan 8.280 nan 0.000 0.758