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 2z1a_1_A DATA FIRST_RESID 28 DATA SEQUENCE FTLTLVHTND THAHLEPVEL TLSGEKTPVG GVARRVALFD RVWARAKNPL DATA SEQUENCE FLDAGDVFQG TLYFNQYRGL ADRYFMHRLR YRAMALGNHE FDLGPGPLAD DATA SEQUENCE FLKGARFKVV SANVDASREP RLKGLFAPYA VVVVGGERVG IIGLTTPDTR DATA SEQUENCE EISNPGPTVA FLDPYESAQK AVYELLAKGV NKIVVLSHLG YGEDLKLARR DATA SEQUENCE LVGVQVIVGG HSHTLLGSFP HKELSPAGPY PTVVKNPEGK DVLVVQAWEW DATA SEQUENCE GKVVGLLEVT FDAKGELLAY KGEALLMTPE AAPEDFFAKE ALLAYAQPVM DATA SEQUENCE ALMQQVIAEA KVDLVGERAV VRRRESNLGN LITDGMLWKT RNAGTQIALQ DATA SEQUENCE NGGGIRASIP KGPITVGKVY EVLPFGNTLV VMDLKGKEIL AALENGVSQW DATA SEQUENCE ENTAGRFLQV SGLRYAFDLS RPAGSRVVRV EVKTEKGYVP LDLEATYRVV DATA SEQUENCE VNNFIANGGD GFTVLKEAQG YRVDTGFSDA ESFMDYLKEL KVVEAGLEGR DATA SEQUENCE IEVLNEP 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 28 F HA 0.000 nan 4.527 nan 0.000 0.279 28 F C 0.000 175.876 175.800 0.126 0.000 0.967 28 F CA 0.000 58.071 58.000 0.117 0.000 1.383 28 F CB 0.000 39.095 39.000 0.159 0.000 1.145 29 T N 6.870 121.020 114.554 -0.672 0.000 2.771 29 T HA 0.697 5.047 4.350 -0.001 0.000 0.281 29 T C -1.411 172.794 174.700 -0.825 0.000 0.982 29 T CA -0.409 61.354 62.100 -0.561 0.000 0.978 29 T CB 1.331 70.010 68.868 -0.314 0.000 0.930 29 T HN 0.571 nan 8.240 nan 0.000 0.447 30 L N 3.326 124.272 121.223 -0.462 0.000 2.385 30 L HA 0.618 4.957 4.340 -0.001 0.000 0.273 30 L C -0.447 176.350 176.870 -0.121 0.000 0.990 30 L CA -0.135 54.559 54.840 -0.244 0.000 0.821 30 L CB 2.161 44.293 42.059 0.121 0.000 1.279 30 L HN 0.569 nan 8.230 nan 0.000 0.412 31 T N 6.224 120.710 114.554 -0.114 0.000 2.874 31 T HA 0.474 4.823 4.350 -0.001 0.000 0.321 31 T C -0.120 174.532 174.700 -0.080 0.000 1.075 31 T CA -0.254 61.792 62.100 -0.090 0.000 0.966 31 T CB 0.043 68.837 68.868 -0.123 0.000 1.001 31 T HN 0.400 nan 8.240 nan 0.000 0.476 32 L N 3.720 124.949 121.223 0.011 0.000 2.313 32 L HA 0.452 4.791 4.340 -0.001 0.000 0.282 32 L C -0.189 176.756 176.870 0.125 0.000 1.092 32 L CA -0.653 54.226 54.840 0.065 0.000 0.831 32 L CB 0.582 42.713 42.059 0.120 0.000 1.159 32 L HN 0.295 nan 8.230 nan 0.000 0.442 33 V N 3.811 123.747 119.914 0.036 0.000 2.409 33 V HA 0.467 4.586 4.120 -0.001 0.000 0.291 33 V C -0.237 176.012 176.094 0.258 0.000 1.020 33 V CA -0.604 61.720 62.300 0.040 0.000 0.848 33 V CB 1.166 32.827 31.823 -0.271 0.000 0.990 33 V HN 0.783 nan 8.190 nan 0.000 0.430 34 H N 2.195 121.406 119.070 0.234 0.000 2.980 34 H HA 0.846 5.401 4.556 -0.001 0.000 0.367 34 H C -0.875 174.670 175.328 0.361 0.000 1.206 34 H CA -0.577 55.670 56.048 0.332 0.000 1.126 34 H CB 2.314 32.235 29.762 0.265 0.000 1.838 34 H HN 0.583 nan 8.280 nan 0.000 0.552 35 T N 0.052 114.870 114.554 0.440 0.000 2.883 35 T HA 0.504 4.853 4.350 -0.001 0.000 0.296 35 T C -0.671 174.182 174.700 0.254 0.000 1.117 35 T CA -1.113 61.163 62.100 0.293 0.000 1.006 35 T CB 2.392 71.437 68.868 0.296 0.000 1.191 35 T HN 0.942 nan 8.240 nan 0.000 0.508 36 N N -0.588 118.206 118.700 0.157 0.000 2.504 36 N HA 0.214 4.954 4.740 -0.001 0.000 0.268 36 N C -1.553 173.964 175.510 0.010 0.000 1.184 36 N CA -0.660 52.459 53.050 0.114 0.000 0.875 36 N CB 1.329 39.913 38.487 0.163 0.000 1.630 36 N HN 0.852 nan 8.380 nan 0.000 0.486 37 D N 0.407 120.796 120.400 -0.019 0.000 2.689 37 D HA -0.155 4.484 4.640 -0.001 0.000 0.237 37 D C 1.070 177.375 176.300 0.008 0.000 1.148 37 D CA 1.477 55.407 54.000 -0.117 0.000 0.656 37 D CB -1.094 39.505 40.800 -0.335 0.000 1.050 37 D HN 0.815 nan 8.370 nan 0.000 0.426 38 T N -3.545 110.989 114.554 -0.034 0.000 2.915 38 T HA -0.219 4.130 4.350 -0.001 0.000 0.269 38 T C 0.987 175.773 174.700 0.144 0.000 1.071 38 T CA 0.906 63.041 62.100 0.058 0.000 1.132 38 T CB -0.132 68.728 68.868 -0.014 0.000 0.878 38 T HN 0.504 nan 8.240 nan 0.000 0.479 39 H N 1.495 120.603 119.070 0.062 0.000 2.527 39 H HA -0.201 4.354 4.556 -0.001 0.000 0.321 39 H C 1.352 176.663 175.328 -0.029 0.000 1.092 39 H CA 0.669 56.719 56.048 0.002 0.000 1.118 39 H CB -1.942 27.863 29.762 0.072 0.000 1.536 39 H HN 0.914 nan 8.280 nan 0.000 0.407 40 A N -0.312 122.516 122.820 0.013 0.000 2.829 40 A HA -0.303 4.016 4.320 -0.001 0.000 0.267 40 A C 0.316 177.829 177.584 -0.117 0.000 1.370 40 A CA 1.605 53.627 52.037 -0.025 0.000 0.900 40 A CB -2.000 17.006 19.000 0.011 0.000 1.044 40 A HN 0.704 nan 8.150 nan 0.000 0.691 41 H N -0.230 118.715 119.070 -0.208 0.000 3.014 41 H HA 0.522 5.077 4.556 -0.001 0.000 0.266 41 H C 1.271 176.472 175.328 -0.212 0.000 1.455 41 H CA 0.419 56.316 56.048 -0.252 0.000 1.402 41 H CB 0.112 29.644 29.762 -0.383 0.000 1.626 41 H HN 0.437 nan 8.280 nan 0.000 0.520 42 L N 0.403 121.492 121.223 -0.223 0.000 2.307 42 L HA 0.076 4.415 4.340 -0.001 0.000 0.211 42 L C 0.876 177.548 176.870 -0.330 0.000 1.099 42 L CA 0.531 55.123 54.840 -0.413 0.000 0.816 42 L CB 0.121 41.715 42.059 -0.775 0.000 0.952 42 L HN 0.465 nan 8.230 nan 0.000 0.455 43 E N 0.691 120.786 120.200 -0.175 0.000 2.318 43 E HA 0.284 4.633 4.350 -0.001 0.000 0.265 43 E C -2.179 174.386 176.600 -0.057 0.000 1.069 43 E CA -1.898 54.447 56.400 -0.092 0.000 0.893 43 E CB 0.469 30.173 29.700 0.007 0.000 1.076 43 E HN -0.064 nan 8.360 nan 0.000 0.414 44 P HA 0.057 nan 4.420 nan 0.000 0.274 44 P C -0.435 176.873 177.300 0.014 0.000 1.246 44 P CA -0.339 62.750 63.100 -0.018 0.000 0.795 44 P CB 0.664 32.351 31.700 -0.023 0.000 1.006 45 V N -2.307 117.628 119.914 0.035 0.000 3.234 45 V HA 0.609 4.728 4.120 -0.001 0.000 0.317 45 V C -0.312 175.801 176.094 0.032 0.000 1.147 45 V CA -0.866 61.469 62.300 0.059 0.000 1.037 45 V CB 1.531 33.429 31.823 0.126 0.000 1.148 45 V HN 0.480 nan 8.190 nan 0.000 0.455 46 E N 0.449 120.671 120.200 0.035 0.000 2.199 46 E HA 0.708 5.057 4.350 -0.001 0.000 0.265 46 E C -1.705 174.904 176.600 0.016 0.000 0.882 46 E CA -0.643 55.767 56.400 0.017 0.000 0.759 46 E CB 1.744 31.452 29.700 0.013 0.000 1.148 46 E HN 0.741 nan 8.360 nan 0.000 0.412 47 L N 2.225 123.447 121.223 -0.002 0.000 2.350 47 L HA 0.461 4.800 4.340 -0.001 0.000 0.260 47 L C -0.392 176.455 176.870 -0.039 0.000 1.015 47 L CA -1.072 53.763 54.840 -0.008 0.000 0.821 47 L CB 2.485 44.546 42.059 0.004 0.000 1.370 47 L HN 0.471 nan 8.230 nan 0.000 0.416 48 T N 3.443 117.974 114.554 -0.039 0.000 2.727 48 T HA 0.534 4.883 4.350 -0.001 0.000 0.298 48 T C -0.267 174.367 174.700 -0.109 0.000 0.942 48 T CA -0.160 61.907 62.100 -0.056 0.000 0.997 48 T CB -0.044 68.807 68.868 -0.028 0.000 0.917 48 T HN 0.218 nan 8.240 nan 0.000 0.487 49 L N 2.778 123.885 121.223 -0.194 0.000 2.343 49 L HA 0.417 4.756 4.340 -0.001 0.000 0.278 49 L C 0.578 177.316 176.870 -0.220 0.000 0.996 49 L CA -0.862 53.727 54.840 -0.419 0.000 0.831 49 L CB 1.582 43.072 42.059 -0.948 0.000 1.232 49 L HN 0.666 nan 8.230 nan 0.000 0.413 50 S N 2.484 118.192 115.700 0.014 0.000 3.749 50 S HA -0.173 4.296 4.470 -0.001 0.000 0.348 50 S C 1.045 175.675 174.600 0.050 0.000 1.045 50 S CA 0.911 59.190 58.200 0.132 0.000 1.051 50 S CB -1.041 62.313 63.200 0.257 0.000 0.898 50 S HN 1.345 nan 8.310 nan 0.000 0.472 51 G N 0.586 109.396 108.800 0.018 0.000 2.160 51 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.244 51 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.244 51 G C -0.467 174.433 174.900 0.001 0.000 1.022 51 G CA 0.579 45.685 45.100 0.010 0.000 0.741 51 G HN 1.256 nan 8.290 nan 0.000 0.508 52 E N -0.776 119.415 120.200 -0.016 0.000 2.397 52 E HA 0.409 4.758 4.350 -0.001 0.000 0.293 52 E C -0.458 176.122 176.600 -0.033 0.000 0.930 52 E CA -1.236 55.155 56.400 -0.016 0.000 0.793 52 E CB 1.062 30.759 29.700 -0.004 0.000 1.259 52 E HN 0.190 nan 8.360 nan 0.000 0.406 53 K N 2.099 122.485 120.400 -0.022 0.000 2.473 53 K HA 0.095 4.414 4.320 -0.001 0.000 0.277 53 K C -0.510 176.074 176.600 -0.027 0.000 1.052 53 K CA 0.802 57.075 56.287 -0.023 0.000 1.114 53 K CB 0.305 32.798 32.500 -0.011 0.000 0.869 53 K HN 0.444 nan 8.250 nan 0.000 0.481 54 T N 4.970 119.501 114.554 -0.039 0.000 2.876 54 T HA 0.340 4.689 4.350 -0.001 0.000 0.289 54 T C -2.581 172.106 174.700 -0.023 0.000 1.014 54 T CA -1.668 60.410 62.100 -0.036 0.000 0.986 54 T CB 1.856 70.682 68.868 -0.070 0.000 1.021 54 T HN 0.395 nan 8.240 nan 0.000 0.458 55 P HA 0.408 nan 4.420 nan 0.000 0.281 55 P C -1.157 176.141 177.300 -0.003 0.000 1.252 55 P CA -0.356 62.741 63.100 -0.004 0.000 0.778 55 P CB 0.854 32.553 31.700 -0.002 0.000 0.895 56 V N 2.983 122.896 119.914 -0.002 0.000 2.638 56 V HA 0.727 4.846 4.120 -0.001 0.000 0.306 56 V C 0.692 176.781 176.094 -0.008 0.000 1.052 56 V CA 0.365 62.665 62.300 -0.001 0.000 0.885 56 V CB 0.981 32.803 31.823 -0.002 0.000 0.999 56 V HN 1.086 nan 8.190 nan 0.000 0.424 57 G N 3.058 111.852 108.800 -0.010 0.000 2.615 57 G HA2 0.470 4.429 3.960 -0.001 0.000 0.218 57 G HA3 0.470 4.429 3.960 -0.001 0.000 0.218 57 G C 0.239 175.109 174.900 -0.050 0.000 1.339 57 G CA -0.181 44.903 45.100 -0.026 0.000 0.884 57 G HN 2.644 nan 8.290 nan 0.000 0.559 58 G N -3.224 105.528 108.800 -0.080 0.000 2.784 58 G HA2 0.342 4.301 3.960 -0.001 0.000 0.686 58 G HA3 0.342 4.301 3.960 -0.001 0.000 0.686 58 G C 0.864 175.643 174.900 -0.202 0.000 1.156 58 G CA 0.785 45.801 45.100 -0.140 0.000 0.757 58 G HN 2.297 nan 8.290 nan 0.000 0.642 59 V N -0.424 119.295 119.914 -0.324 0.000 2.548 59 V HA 0.256 4.375 4.120 -0.001 0.000 0.249 59 V C 2.984 178.908 176.094 -0.284 0.000 1.055 59 V CA 2.352 64.420 62.300 -0.386 0.000 1.065 59 V CB -1.149 30.242 31.823 -0.719 0.000 0.681 59 V HN 2.311 nan 8.190 nan 0.000 0.462 60 A N 0.832 123.506 122.820 -0.244 0.000 1.908 60 A HA -0.229 4.090 4.320 -0.001 0.000 0.218 60 A C 2.522 180.059 177.584 -0.079 0.000 1.181 60 A CA 2.256 54.225 52.037 -0.114 0.000 0.627 60 A CB -0.661 18.283 19.000 -0.093 0.000 0.818 60 A HN 0.557 nan 8.150 nan 0.000 0.445 61 R N -0.896 119.550 120.500 -0.091 0.000 2.090 61 R HA -0.032 4.307 4.340 -0.001 0.000 0.228 61 R C 2.414 178.665 176.300 -0.080 0.000 1.110 61 R CA 1.195 57.263 56.100 -0.054 0.000 0.973 61 R CB -0.228 30.049 30.300 -0.038 0.000 0.869 61 R HN 0.523 nan 8.270 nan 0.000 0.440 62 R N 0.004 120.398 120.500 -0.175 0.000 2.115 62 R HA -0.071 4.268 4.340 -0.001 0.000 0.230 62 R C 1.994 178.068 176.300 -0.377 0.000 1.111 62 R CA 1.228 57.124 56.100 -0.340 0.000 0.976 62 R CB -0.005 29.978 30.300 -0.529 0.000 0.870 62 R HN 0.110 nan 8.270 nan 0.000 0.445 63 V N 0.739 120.515 119.914 -0.231 0.000 2.343 63 V HA -0.226 3.893 4.120 -0.001 0.000 0.247 63 V C 2.413 178.502 176.094 -0.009 0.000 1.051 63 V CA 1.923 64.146 62.300 -0.128 0.000 1.036 63 V CB -0.572 31.236 31.823 -0.025 0.000 0.654 63 V HN 0.486 nan 8.190 nan 0.000 0.451 64 A N -0.177 122.654 122.820 0.019 0.000 1.877 64 A HA -0.190 4.129 4.320 -0.001 0.000 0.216 64 A C 2.161 179.815 177.584 0.116 0.000 1.186 64 A CA 2.094 54.175 52.037 0.073 0.000 0.620 64 A CB -0.594 18.445 19.000 0.064 0.000 0.822 64 A HN 0.451 nan 8.150 nan 0.000 0.443 65 L N -1.483 119.814 121.223 0.124 0.000 1.994 65 L HA -0.098 4.241 4.340 -0.001 0.000 0.208 65 L C 2.177 179.260 176.870 0.356 0.000 1.071 65 L CA 2.055 57.026 54.840 0.218 0.000 0.745 65 L CB -0.765 41.436 42.059 0.237 0.000 0.892 65 L HN 0.310 nan 8.230 nan 0.000 0.431 66 F N 0.391 120.349 119.950 0.014 0.000 2.171 66 F HA -0.191 4.336 4.527 -0.001 0.000 0.300 66 F C 2.368 178.228 175.800 0.101 0.000 1.090 66 F CA 1.282 59.273 58.000 -0.016 0.000 1.293 66 F CB -1.118 37.615 39.000 -0.445 0.000 1.013 66 F HN 0.234 nan 8.300 nan 0.000 0.486 67 D N -0.480 120.070 120.400 0.251 0.000 2.117 67 D HA -0.159 4.480 4.640 -0.001 0.000 0.197 67 D C 2.434 178.913 176.300 0.298 0.000 0.987 67 D CA 0.963 55.108 54.000 0.242 0.000 0.829 67 D CB -0.298 40.599 40.800 0.161 0.000 0.961 67 D HN 0.183 nan 8.370 nan 0.000 0.460 68 R N 0.316 120.958 120.500 0.238 0.000 2.073 68 R HA -0.060 4.279 4.340 -0.001 0.000 0.229 68 R C 2.074 178.493 176.300 0.199 0.000 1.120 68 R CA 0.736 56.950 56.100 0.190 0.000 0.967 68 R CB -0.100 30.287 30.300 0.146 0.000 0.862 68 R HN -0.002 nan 8.270 nan 0.000 0.436 69 V N 0.387 120.450 119.914 0.248 0.000 2.358 69 V HA -0.261 3.858 4.120 -0.001 0.000 0.246 69 V C 2.032 178.282 176.094 0.259 0.000 1.047 69 V CA 1.776 64.203 62.300 0.210 0.000 1.035 69 V CB -0.751 31.202 31.823 0.218 0.000 0.658 69 V HN 0.563 nan 8.190 nan 0.000 0.452 70 W N 0.999 122.429 121.300 0.217 0.000 2.342 70 W HA -0.199 4.461 4.660 -0.000 0.000 0.297 70 W C 2.055 178.637 176.519 0.105 0.000 1.213 70 W CA 1.732 59.200 57.345 0.205 0.000 1.251 70 W CB 0.013 29.624 29.460 0.251 0.000 1.136 70 W HN 0.295 nan 8.180 nan 0.000 0.526 71 A N 0.136 123.024 122.820 0.113 0.000 2.238 71 A HA 0.134 4.453 4.320 -0.001 0.000 0.210 71 A C 1.858 179.416 177.584 -0.043 0.000 1.179 71 A CA 0.211 52.225 52.037 -0.037 0.000 0.827 71 A CB -0.145 18.908 19.000 0.088 0.000 0.856 71 A HN 0.166 nan 8.150 nan 0.000 0.488 72 R N -0.564 119.929 120.500 -0.011 0.000 2.306 72 R HA 0.344 4.683 4.340 -0.001 0.000 0.183 72 R C 1.091 177.363 176.300 -0.047 0.000 0.937 72 R CA 0.759 56.848 56.100 -0.019 0.000 1.118 72 R CB -1.082 29.228 30.300 0.018 0.000 1.224 72 R HN 0.327 nan 8.270 nan 0.000 0.597 73 A N 2.434 125.229 122.820 -0.042 0.000 2.492 73 A HA 0.112 4.431 4.320 -0.001 0.000 0.236 73 A C 0.076 177.593 177.584 -0.113 0.000 1.078 73 A CA -0.055 51.940 52.037 -0.070 0.000 0.773 73 A CB 0.101 19.058 19.000 -0.070 0.000 1.023 73 A HN 0.026 nan 8.150 nan 0.000 0.504 74 K N 1.936 122.266 120.400 -0.117 0.000 2.285 74 K HA 0.147 4.467 4.320 -0.001 0.000 0.286 74 K C -0.212 176.287 176.600 -0.168 0.000 1.072 74 K CA 0.109 56.312 56.287 -0.139 0.000 0.913 74 K CB -0.299 32.119 32.500 -0.137 0.000 1.067 74 K HN 0.613 nan 8.250 nan 0.000 0.479 75 N N 3.859 122.462 118.700 -0.161 0.000 2.667 75 N HA -0.151 4.588 4.740 -0.001 0.000 0.263 75 N C -2.525 172.900 175.510 -0.141 0.000 1.038 75 N CA 0.681 53.654 53.050 -0.130 0.000 0.749 75 N CB -0.974 37.428 38.487 -0.142 0.000 0.892 75 N HN 0.549 nan 8.380 nan 0.000 0.546 76 P HA 0.212 nan 4.420 nan 0.000 0.275 76 P C -0.235 176.867 177.300 -0.330 0.000 1.227 76 P CA -0.458 62.445 63.100 -0.328 0.000 0.781 76 P CB 1.204 32.645 31.700 -0.432 0.000 0.906 77 L N 4.294 125.279 121.223 -0.397 0.000 2.446 77 L HA 0.477 4.816 4.340 -0.001 0.000 0.268 77 L C -1.428 175.283 176.870 -0.266 0.000 0.975 77 L CA -0.726 53.992 54.840 -0.202 0.000 0.848 77 L CB 0.543 42.605 42.059 0.006 0.000 1.225 77 L HN 0.058 nan 8.230 nan 0.000 0.410 78 F N 5.869 125.845 119.950 0.043 0.000 2.420 78 F HA 0.619 5.145 4.527 -0.001 0.000 0.352 78 F C 0.018 175.948 175.800 0.217 0.000 1.108 78 F CA -0.215 57.769 58.000 -0.026 0.000 1.162 78 F CB 0.775 39.618 39.000 -0.261 0.000 1.118 78 F HN 0.269 nan 8.300 nan 0.000 0.510 79 L N 2.828 124.355 121.223 0.506 0.000 2.393 79 L HA 0.544 4.883 4.340 -0.001 0.000 0.260 79 L C -1.014 176.177 176.870 0.534 0.000 1.002 79 L CA -0.881 54.251 54.840 0.486 0.000 0.818 79 L CB 2.525 44.768 42.059 0.307 0.000 1.369 79 L HN 0.467 nan 8.230 nan 0.000 0.412 80 D N 0.779 121.340 120.400 0.268 0.000 2.787 80 D HA 0.428 5.067 4.640 -0.001 0.000 0.246 80 D C -0.350 176.013 176.300 0.105 0.000 1.150 80 D CA -0.408 53.655 54.000 0.105 0.000 0.864 80 D CB 2.741 43.353 40.800 -0.314 0.000 1.481 80 D HN 0.653 nan 8.370 nan 0.000 0.509 81 A N 2.569 125.483 122.820 0.157 0.000 2.359 81 A HA 0.547 4.866 4.320 -0.001 0.000 0.240 81 A C 0.972 178.699 177.584 0.238 0.000 1.306 81 A CA 0.696 52.846 52.037 0.189 0.000 0.898 81 A CB -0.637 18.489 19.000 0.210 0.000 0.956 81 A HN 0.913 nan 8.150 nan 0.000 0.497 82 G N -1.028 107.824 108.800 0.087 0.000 2.655 82 G HA2 0.192 4.151 3.960 -0.001 0.000 0.680 82 G HA3 0.192 4.151 3.960 -0.001 0.000 0.680 82 G C -0.407 174.424 174.900 -0.115 0.000 1.302 82 G CA -0.228 44.840 45.100 -0.052 0.000 0.872 82 G HN 0.639 nan 8.290 nan 0.000 0.540 83 D N -1.937 118.272 120.400 -0.320 0.000 2.716 83 D HA -0.146 4.493 4.640 -0.001 0.000 0.239 83 D C 1.505 177.535 176.300 -0.450 0.000 1.125 83 D CA 1.295 55.083 54.000 -0.353 0.000 0.681 83 D CB -1.212 39.473 40.800 -0.192 0.000 1.070 83 D HN 1.002 nan 8.370 nan 0.000 0.432 84 V N -0.652 119.099 119.914 -0.272 0.000 2.488 84 V HA -0.061 4.058 4.120 -0.001 0.000 0.246 84 V C 1.345 177.399 176.094 -0.066 0.000 1.046 84 V CA 0.838 63.050 62.300 -0.147 0.000 1.053 84 V CB -0.133 31.649 31.823 -0.068 0.000 0.679 84 V HN 0.225 nan 8.190 nan 0.000 0.458 85 F N 0.541 120.233 119.950 -0.430 0.000 2.496 85 F HA 0.455 4.981 4.527 -0.001 0.000 0.344 85 F C 0.710 176.055 175.800 -0.759 0.000 1.155 85 F CA -0.579 57.035 58.000 -0.643 0.000 1.302 85 F CB -0.190 38.489 39.000 -0.536 0.000 1.159 85 F HN 0.113 nan 8.300 nan 0.000 0.595 86 Q N 0.964 119.927 119.800 -1.395 0.000 2.867 86 Q HA 0.078 4.417 4.340 -0.001 0.000 0.141 86 Q C 0.101 175.893 176.000 -0.347 0.000 1.519 86 Q CA 1.109 56.396 55.803 -0.860 0.000 0.471 86 Q CB -0.976 27.465 28.738 -0.497 0.000 0.652 86 Q HN 1.080 nan 8.270 nan 0.000 0.319 87 G N 1.116 109.740 108.800 -0.293 0.000 3.897 87 G HA2 0.219 4.178 3.960 -0.001 0.000 0.207 87 G HA3 0.219 4.178 3.960 -0.001 0.000 0.207 87 G C -0.129 174.565 174.900 -0.343 0.000 0.872 87 G CA 0.683 45.629 45.100 -0.256 0.000 0.872 87 G HN 1.467 nan 8.290 nan 0.000 0.442 88 T N -1.928 112.476 114.554 -0.250 0.000 2.762 88 T HA 0.558 4.907 4.350 -0.001 0.000 0.301 88 T C 1.069 175.681 174.700 -0.147 0.000 1.299 88 T CA -0.254 61.690 62.100 -0.260 0.000 1.005 88 T CB 1.132 69.790 68.868 -0.350 0.000 1.377 88 T HN 0.132 nan 8.240 nan 0.000 0.504 89 L N -0.271 120.808 121.223 -0.241 0.000 2.261 89 L HA -0.067 4.272 4.340 -0.001 0.000 0.216 89 L C 2.144 178.847 176.870 -0.278 0.000 1.114 89 L CA 1.390 56.042 54.840 -0.314 0.000 0.777 89 L CB -0.684 41.133 42.059 -0.403 0.000 0.910 89 L HN 0.672 nan 8.230 nan 0.000 0.440 90 Y N -1.628 118.632 120.300 -0.066 0.000 2.333 90 Y HA -0.277 4.272 4.550 -0.001 0.000 0.290 90 Y C 2.230 178.152 175.900 0.037 0.000 1.144 90 Y CA 1.439 59.563 58.100 0.040 0.000 1.228 90 Y CB -0.459 37.996 38.460 -0.008 0.000 0.985 90 Y HN 0.117 nan 8.280 nan 0.000 0.542 91 F N 0.613 120.543 119.950 -0.032 0.000 2.219 91 F HA -0.044 4.482 4.527 -0.001 0.000 0.294 91 F C 1.713 177.406 175.800 -0.177 0.000 1.086 91 F CA 1.225 59.147 58.000 -0.130 0.000 1.330 91 F CB -0.603 38.288 39.000 -0.181 0.000 1.047 91 F HN -0.039 nan 8.300 nan 0.000 0.495 92 N N -0.148 118.430 118.700 -0.203 0.000 2.149 92 N HA -0.246 4.493 4.740 -0.001 0.000 0.188 92 N C 1.654 176.915 175.510 -0.414 0.000 1.019 92 N CA 1.353 54.215 53.050 -0.312 0.000 0.857 92 N CB -0.214 38.102 38.487 -0.285 0.000 0.997 92 N HN 0.313 nan 8.380 nan 0.000 0.426 93 Q N -0.419 119.121 119.800 -0.433 0.000 2.165 93 Q HA 0.037 4.376 4.340 -0.001 0.000 0.197 93 Q C 0.555 176.105 176.000 -0.751 0.000 0.952 93 Q CA 1.336 56.765 55.803 -0.624 0.000 0.848 93 Q CB 0.191 28.454 28.738 -0.791 0.000 0.931 93 Q HN 0.491 nan 8.270 nan 0.000 0.470 94 Y N -0.596 119.570 120.300 -0.225 0.000 2.445 94 Y HA 0.409 4.959 4.550 -0.001 0.000 0.247 94 Y C -0.183 175.518 175.900 -0.331 0.000 1.129 94 Y CA -0.246 57.735 58.100 -0.198 0.000 1.251 94 Y CB 0.558 38.949 38.460 -0.115 0.000 1.176 94 Y HN -0.075 nan 8.280 nan 0.000 0.522 95 R N 0.455 120.601 120.500 -0.590 0.000 3.416 95 R HA -0.244 4.095 4.340 -0.001 0.000 0.263 95 R C 1.251 177.171 176.300 -0.633 0.000 1.053 95 R CA 0.722 56.181 56.100 -1.069 0.000 0.705 95 R CB -2.036 27.850 30.300 -0.689 0.000 1.124 95 R HN 0.735 nan 8.270 nan 0.000 0.444 96 G N -1.011 107.636 108.800 -0.256 0.000 2.241 96 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.244 96 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.244 96 G C 0.735 175.819 174.900 0.307 0.000 0.998 96 G CA 0.235 45.338 45.100 0.004 0.000 0.621 96 G HN 0.284 nan 8.290 nan 0.000 0.519 97 L N 0.453 121.792 121.223 0.194 0.000 2.141 97 L HA 0.126 4.465 4.340 -0.001 0.000 0.209 97 L C 3.259 180.115 176.870 -0.022 0.000 1.094 97 L CA 1.645 56.581 54.840 0.161 0.000 0.763 97 L CB -0.622 41.523 42.059 0.145 0.000 0.908 97 L HN 0.444 nan 8.230 nan 0.000 0.437 98 A N 0.503 123.169 122.820 -0.256 0.000 1.873 98 A HA -0.215 4.104 4.320 -0.001 0.000 0.215 98 A C 1.811 179.270 177.584 -0.207 0.000 1.186 98 A CA 1.968 53.503 52.037 -0.837 0.000 0.616 98 A CB -0.562 17.765 19.000 -1.120 0.000 0.823 98 A HN 0.370 nan 8.150 nan 0.000 0.442 99 D N -0.868 119.538 120.400 0.011 0.000 2.144 99 D HA -0.146 4.493 4.640 -0.001 0.000 0.199 99 D C 2.091 178.507 176.300 0.194 0.000 0.984 99 D CA 1.347 55.440 54.000 0.154 0.000 0.834 99 D CB -0.196 40.694 40.800 0.151 0.000 0.955 99 D HN 0.446 nan 8.370 nan 0.000 0.465 100 R N -0.611 120.013 120.500 0.206 0.000 2.081 100 R HA -0.198 4.141 4.340 -0.001 0.000 0.235 100 R C 2.196 178.372 176.300 -0.207 0.000 1.131 100 R CA 1.028 57.148 56.100 0.034 0.000 0.960 100 R CB -0.333 29.928 30.300 -0.065 0.000 0.856 100 R HN 0.324 nan 8.270 nan 0.000 0.436 101 Y N 0.147 120.334 120.300 -0.189 0.000 2.165 101 Y HA -0.240 4.310 4.550 -0.001 0.000 0.286 101 Y C 1.551 177.310 175.900 -0.236 0.000 1.155 101 Y CA 1.818 59.800 58.100 -0.196 0.000 1.164 101 Y CB -0.413 37.913 38.460 -0.223 0.000 0.978 101 Y HN -0.008 nan 8.280 nan 0.000 0.513 102 F N -0.290 119.651 119.950 -0.014 0.000 2.206 102 F HA -0.169 4.357 4.527 -0.001 0.000 0.298 102 F C 2.410 178.162 175.800 -0.081 0.000 1.090 102 F CA 1.390 59.328 58.000 -0.104 0.000 1.323 102 F CB -0.621 38.362 39.000 -0.028 0.000 1.028 102 F HN 0.074 nan 8.300 nan 0.000 0.492 103 M N -1.147 118.528 119.600 0.125 0.000 2.213 103 M HA -0.218 4.261 4.480 -0.001 0.000 0.263 103 M C 2.038 178.488 176.300 0.250 0.000 1.062 103 M CA 1.701 57.125 55.300 0.206 0.000 1.105 103 M CB -0.720 31.820 32.600 -0.101 0.000 1.385 103 M HN 0.258 nan 8.290 nan 0.000 0.417 104 H N -1.259 117.884 119.070 0.121 0.000 2.357 104 H HA -0.116 4.440 4.556 -0.001 0.000 0.301 104 H C 2.199 177.458 175.328 -0.116 0.000 1.082 104 H CA 0.971 57.039 56.048 0.035 0.000 1.342 104 H CB 0.069 29.797 29.762 -0.057 0.000 1.389 104 H HN 0.140 nan 8.280 nan 0.000 0.511 105 R N 1.409 121.840 120.500 -0.115 0.000 2.120 105 R HA -0.054 4.285 4.340 -0.001 0.000 0.234 105 R C 1.661 177.856 176.300 -0.175 0.000 1.123 105 R CA 0.974 56.954 56.100 -0.199 0.000 0.975 105 R CB -0.476 29.654 30.300 -0.283 0.000 0.866 105 R HN 0.318 nan 8.270 nan 0.000 0.446 106 L N 0.326 121.464 121.223 -0.141 0.000 2.599 106 L HA 0.180 4.519 4.340 -0.001 0.000 0.230 106 L C 0.298 176.900 176.870 -0.446 0.000 1.141 106 L CA 0.354 55.017 54.840 -0.294 0.000 0.877 106 L CB -0.084 41.769 42.059 -0.344 0.000 1.009 106 L HN 0.230 nan 8.230 nan 0.000 0.447 107 R N -2.170 118.184 120.500 -0.243 0.000 3.651 107 R HA -0.217 4.122 4.340 -0.001 0.000 0.292 107 R C -0.661 175.665 176.300 0.042 0.000 1.161 107 R CA 0.247 56.239 56.100 -0.180 0.000 0.787 107 R CB -2.627 27.414 30.300 -0.430 0.000 1.249 107 R HN 0.188 nan 8.270 nan 0.000 0.476 108 Y N 0.486 120.851 120.300 0.108 0.000 2.702 108 Y HA -0.042 4.507 4.550 -0.001 0.000 0.336 108 Y C 1.935 177.982 175.900 0.245 0.000 1.235 108 Y CA 0.286 58.491 58.100 0.176 0.000 1.492 108 Y CB 0.414 38.826 38.460 -0.081 0.000 1.308 108 Y HN -0.049 nan 8.280 nan 0.000 0.589 109 R N 1.688 122.446 120.500 0.429 0.000 2.254 109 R HA 0.442 4.781 4.340 -0.001 0.000 0.193 109 R C -0.254 176.260 176.300 0.357 0.000 0.929 109 R CA 0.531 56.846 56.100 0.360 0.000 1.038 109 R CB 0.346 30.820 30.300 0.290 0.000 1.009 109 R HN 0.596 nan 8.270 nan 0.000 0.512 110 A N 0.601 123.621 122.820 0.333 0.000 2.594 110 A HA 0.705 5.024 4.320 -0.001 0.000 0.295 110 A C -1.369 176.335 177.584 0.201 0.000 1.071 110 A CA -0.577 51.636 52.037 0.293 0.000 0.685 110 A CB 1.981 21.128 19.000 0.245 0.000 1.285 110 A HN 0.104 nan 8.150 nan 0.000 0.405 111 M N 1.872 121.593 119.600 0.202 0.000 2.378 111 M HA 0.686 5.165 4.480 -0.001 0.000 0.289 111 M C -0.792 175.596 176.300 0.147 0.000 1.136 111 M CA -0.523 54.833 55.300 0.093 0.000 0.917 111 M CB 1.867 34.460 32.600 -0.011 0.000 1.669 111 M HN 1.246 nan 8.290 nan 0.000 0.461 112 A N 4.556 127.441 122.820 0.108 0.000 2.293 112 A HA 0.708 5.027 4.320 -0.001 0.000 0.302 112 A C -0.892 176.711 177.584 0.032 0.000 1.119 112 A CA -0.688 51.415 52.037 0.109 0.000 0.823 112 A CB 0.656 19.739 19.000 0.137 0.000 1.097 112 A HN 0.924 nan 8.150 nan 0.000 0.491 113 L N 2.178 123.405 121.223 0.007 0.000 2.319 113 L HA 0.443 4.782 4.340 -0.001 0.000 0.280 113 L C 1.074 177.870 176.870 -0.123 0.000 1.099 113 L CA -0.158 54.620 54.840 -0.104 0.000 0.828 113 L CB 0.876 42.873 42.059 -0.103 0.000 1.150 113 L HN 0.866 nan 8.230 nan 0.000 0.442 114 G N 1.500 110.092 108.800 -0.347 0.000 2.521 114 G HA2 0.129 4.089 3.960 -0.001 0.000 0.323 114 G HA3 0.129 4.089 3.960 -0.001 0.000 0.323 114 G C 0.788 175.508 174.900 -0.300 0.000 1.211 114 G CA -0.562 44.092 45.100 -0.743 0.000 0.979 114 G HN 0.722 nan 8.290 nan 0.000 0.490 115 N N -0.583 117.961 118.700 -0.260 0.000 2.166 115 N HA -0.178 4.562 4.740 -0.001 0.000 0.186 115 N C 1.235 176.727 175.510 -0.030 0.000 1.019 115 N CA 1.259 54.272 53.050 -0.061 0.000 0.856 115 N CB -0.441 37.967 38.487 -0.130 0.000 0.993 115 N HN 0.591 nan 8.380 nan 0.000 0.426 116 H N 0.348 119.435 119.070 0.029 0.000 2.545 116 H HA 0.064 4.619 4.556 -0.001 0.000 0.282 116 H C 0.895 176.172 175.328 -0.085 0.000 1.020 116 H CA 0.693 56.779 56.048 0.063 0.000 1.243 116 H CB 0.281 30.121 29.762 0.131 0.000 1.377 116 H HN 0.326 nan 8.280 nan 0.000 0.581 117 E N -0.067 119.931 120.200 -0.337 0.000 2.409 117 E HA -0.067 4.283 4.350 -0.001 0.000 0.198 117 E C 0.679 176.850 176.600 -0.716 0.000 1.024 117 E CA 0.442 56.238 56.400 -1.007 0.000 0.861 117 E CB -0.124 28.895 29.700 -1.134 0.000 0.788 117 E HN 0.371 nan 8.360 nan 0.000 0.521 118 F N -0.492 119.407 119.950 -0.084 0.000 2.678 118 F HA 0.156 4.682 4.527 -0.001 0.000 0.305 118 F C 1.220 177.100 175.800 0.133 0.000 1.090 118 F CA -0.235 57.791 58.000 0.044 0.000 1.272 118 F CB 0.458 39.494 39.000 0.061 0.000 1.060 118 F HN -0.119 nan 8.300 nan 0.000 0.576 119 D N 0.648 121.232 120.400 0.307 0.000 2.182 119 D HA -0.121 4.518 4.640 -0.001 0.000 0.201 119 D C 1.810 178.302 176.300 0.320 0.000 0.986 119 D CA 1.469 55.657 54.000 0.314 0.000 0.847 119 D CB -0.033 41.007 40.800 0.399 0.000 0.942 119 D HN 0.284 nan 8.370 nan 0.000 0.467 120 L N -0.823 120.609 121.223 0.348 0.000 2.769 120 L HA 0.354 4.693 4.340 -0.001 0.000 0.240 120 L C 1.027 178.036 176.870 0.231 0.000 1.163 120 L CA -0.258 54.750 54.840 0.279 0.000 0.962 120 L CB -0.115 42.108 42.059 0.274 0.000 1.258 120 L HN 0.020 nan 8.230 nan 0.000 0.513 121 G N 0.902 109.853 108.800 0.252 0.000 2.796 121 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.571 121 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.571 121 G C -2.319 172.707 174.900 0.210 0.000 1.370 121 G CA -0.573 44.666 45.100 0.233 0.000 0.856 121 G HN 0.052 nan 8.290 nan 0.000 0.538 122 P HA -0.007 nan 4.420 nan 0.000 0.218 122 P C 2.123 179.500 177.300 0.128 0.000 1.149 122 P CA 2.264 65.458 63.100 0.155 0.000 0.817 122 P CB -0.221 31.572 31.700 0.155 0.000 0.785 123 G N 1.032 109.908 108.800 0.126 0.000 2.587 123 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.217 123 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.217 123 G C -0.736 174.242 174.900 0.129 0.000 1.240 123 G CA 1.298 46.465 45.100 0.112 0.000 0.794 123 G HN 0.253 nan 8.290 nan 0.000 0.580 124 P HA -0.027 nan 4.420 nan 0.000 0.220 124 P C 1.955 179.431 177.300 0.293 0.000 1.148 124 P CA 0.395 63.602 63.100 0.180 0.000 0.803 124 P CB -0.046 31.747 31.700 0.155 0.000 0.782 125 L N -0.069 121.306 121.223 0.254 0.000 2.056 125 L HA -0.068 4.271 4.340 -0.001 0.000 0.207 125 L C 2.178 179.179 176.870 0.219 0.000 1.078 125 L CA 2.013 56.967 54.840 0.190 0.000 0.749 125 L CB -1.568 40.419 42.059 -0.120 0.000 0.901 125 L HN -0.117 nan 8.230 nan 0.000 0.433 126 A N -0.761 122.154 122.820 0.158 0.000 1.933 126 A HA -0.218 4.101 4.320 -0.001 0.000 0.218 126 A C 1.977 179.651 177.584 0.150 0.000 1.175 126 A CA 1.860 53.982 52.037 0.141 0.000 0.628 126 A CB -0.832 18.235 19.000 0.111 0.000 0.814 126 A HN 0.558 nan 8.150 nan 0.000 0.444 127 D N -1.142 119.360 120.400 0.170 0.000 2.144 127 D HA -0.133 4.506 4.640 -0.001 0.000 0.199 127 D C 1.593 178.010 176.300 0.194 0.000 0.984 127 D CA 1.281 55.371 54.000 0.150 0.000 0.834 127 D CB -0.397 40.483 40.800 0.134 0.000 0.955 127 D HN 0.534 nan 8.370 nan 0.000 0.465 128 F N 1.310 121.346 119.950 0.144 0.000 2.163 128 F HA -0.051 4.475 4.527 -0.001 0.000 0.297 128 F C 2.084 177.944 175.800 0.100 0.000 1.094 128 F CA 0.974 59.083 58.000 0.181 0.000 1.290 128 F CB -0.202 39.037 39.000 0.397 0.000 1.017 128 F HN -0.151 nan 8.300 nan 0.000 0.483 129 L N 0.082 121.377 121.223 0.120 0.000 2.156 129 L HA -0.111 4.228 4.340 -0.001 0.000 0.208 129 L C 0.822 177.630 176.870 -0.102 0.000 1.095 129 L CA 0.713 55.528 54.840 -0.041 0.000 0.770 129 L CB -0.691 41.432 42.059 0.107 0.000 0.914 129 L HN -0.076 nan 8.230 nan 0.000 0.439 130 K N 1.196 121.578 120.400 -0.031 0.000 2.228 130 K HA 0.281 4.600 4.320 -0.001 0.000 0.284 130 K C 0.522 177.080 176.600 -0.070 0.000 1.088 130 K CA 0.682 56.948 56.287 -0.035 0.000 0.941 130 K CB -0.212 32.294 32.500 0.009 0.000 1.158 130 K HN 0.256 nan 8.250 nan 0.000 0.438 131 G N 2.085 110.818 108.800 -0.112 0.000 2.205 131 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.180 131 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.180 131 G C 0.015 174.822 174.900 -0.155 0.000 1.004 131 G CA -0.271 44.767 45.100 -0.104 0.000 0.670 131 G HN 0.817 nan 8.290 nan 0.000 0.496 132 A N 0.813 123.436 122.820 -0.329 0.000 2.404 132 A HA 0.646 4.966 4.320 -0.001 0.000 0.273 132 A C 1.095 178.368 177.584 -0.518 0.000 1.144 132 A CA 0.080 51.729 52.037 -0.647 0.000 0.806 132 A CB 0.066 18.412 19.000 -1.092 0.000 1.080 132 A HN 0.401 nan 8.150 nan 0.000 0.509 133 R N 1.872 122.200 120.500 -0.286 0.000 2.555 133 R HA 0.230 4.569 4.340 -0.001 0.000 0.272 133 R C -1.046 175.249 176.300 -0.008 0.000 1.089 133 R CA 0.127 56.085 56.100 -0.236 0.000 1.126 133 R CB -0.408 29.634 30.300 -0.431 0.000 1.250 133 R HN 0.730 nan 8.270 nan 0.000 0.551 134 F N -1.978 118.054 119.950 0.136 0.000 2.613 134 F HA 0.520 5.046 4.527 -0.001 0.000 0.314 134 F C -0.307 175.564 175.800 0.119 0.000 1.075 134 F CA -1.859 56.231 58.000 0.150 0.000 0.945 134 F CB 0.741 39.865 39.000 0.207 0.000 1.310 134 F HN -0.397 nan 8.300 nan 0.000 0.467 135 K N 2.192 122.815 120.400 0.372 0.000 2.316 135 K HA 0.399 4.718 4.320 -0.001 0.000 0.289 135 K C -0.803 176.001 176.600 0.339 0.000 1.070 135 K CA -0.342 56.102 56.287 0.262 0.000 0.928 135 K CB 1.592 34.219 32.500 0.212 0.000 1.039 135 K HN 0.581 nan 8.250 nan 0.000 0.480 136 V N 4.286 124.373 119.914 0.288 0.000 2.407 136 V HA 0.269 4.388 4.120 -0.001 0.000 0.278 136 V C 0.205 176.476 176.094 0.295 0.000 1.037 136 V CA -0.799 61.690 62.300 0.315 0.000 0.900 136 V CB 1.372 33.374 31.823 0.299 0.000 0.983 136 V HN 0.531 nan 8.190 nan 0.000 0.459 137 V N 1.949 122.022 119.914 0.265 0.000 2.914 137 V HA 0.985 5.104 4.120 -0.001 0.000 0.314 137 V C -0.387 175.863 176.094 0.260 0.000 1.084 137 V CA -0.611 61.857 62.300 0.279 0.000 0.963 137 V CB 2.108 34.068 31.823 0.228 0.000 1.025 137 V HN 0.839 nan 8.190 nan 0.000 0.432 138 S N 1.325 117.217 115.700 0.321 0.000 2.388 138 S HA 0.587 5.056 4.470 -0.001 0.000 0.279 138 S C 0.321 175.103 174.600 0.304 0.000 0.987 138 S CA 0.250 58.608 58.200 0.264 0.000 0.993 138 S CB 0.980 64.285 63.200 0.177 0.000 1.207 138 S HN 1.948 nan 8.310 nan 0.000 0.425 139 A N 3.488 126.438 122.820 0.218 0.000 2.119 139 A HA 0.075 4.394 4.320 -0.001 0.000 0.216 139 A C 1.476 179.153 177.584 0.155 0.000 1.152 139 A CA 1.200 53.345 52.037 0.180 0.000 0.708 139 A CB -0.328 18.766 19.000 0.156 0.000 0.805 139 A HN 0.903 nan 8.150 nan 0.000 0.460 140 N N -0.411 118.388 118.700 0.165 0.000 2.234 140 N HA 0.111 4.851 4.740 -0.001 0.000 0.227 140 N C -0.734 174.857 175.510 0.134 0.000 1.151 140 N CA 0.007 53.142 53.050 0.142 0.000 0.865 140 N CB 0.232 38.804 38.487 0.141 0.000 1.066 140 N HN 0.038 nan 8.380 nan 0.000 0.515 141 V N 1.558 121.563 119.914 0.152 0.000 2.350 141 V HA 0.153 4.272 4.120 -0.001 0.000 0.276 141 V C -0.571 175.574 176.094 0.086 0.000 1.028 141 V CA -0.703 61.604 62.300 0.011 0.000 0.860 141 V CB 1.201 33.030 31.823 0.010 0.000 0.990 141 V HN 0.134 nan 8.190 nan 0.000 0.453 142 D N 4.902 125.245 120.400 -0.094 0.000 2.428 142 D HA 0.476 5.116 4.640 -0.001 0.000 0.221 142 D C 0.444 176.727 176.300 -0.029 0.000 1.123 142 D CA -0.310 53.673 54.000 -0.028 0.000 0.869 142 D CB 1.628 42.389 40.800 -0.064 0.000 1.032 142 D HN 0.563 nan 8.370 nan 0.000 0.506 143 A N 2.936 125.817 122.820 0.103 0.000 2.545 143 A HA 0.154 4.474 4.320 -0.001 0.000 0.277 143 A C 1.770 179.393 177.584 0.065 0.000 1.301 143 A CA 0.219 52.328 52.037 0.120 0.000 0.935 143 A CB -0.320 18.878 19.000 0.331 0.000 1.093 143 A HN 0.509 nan 8.150 nan 0.000 0.519 144 S N 0.660 116.373 115.700 0.021 0.000 2.400 144 S HA -0.213 4.257 4.470 -0.001 0.000 0.232 144 S C 1.600 176.206 174.600 0.010 0.000 1.025 144 S CA 1.296 59.498 58.200 0.004 0.000 0.993 144 S CB -0.406 62.790 63.200 -0.007 0.000 0.808 144 S HN 0.655 nan 8.310 nan 0.000 0.478 145 R N 0.844 121.351 120.500 0.011 0.000 2.310 145 R HA 0.290 4.629 4.340 -0.001 0.000 0.202 145 R C 0.030 176.347 176.300 0.028 0.000 0.933 145 R CA 0.412 56.520 56.100 0.014 0.000 1.054 145 R CB 0.037 30.340 30.300 0.006 0.000 0.985 145 R HN 0.343 nan 8.270 nan 0.000 0.489 146 E N 0.736 120.963 120.200 0.044 0.000 2.255 146 E HA 0.210 4.559 4.350 -0.001 0.000 0.245 146 E C -2.153 174.486 176.600 0.066 0.000 0.909 146 E CA -2.789 53.649 56.400 0.064 0.000 0.747 146 E CB 1.364 31.119 29.700 0.092 0.000 1.215 146 E HN -0.180 nan 8.360 nan 0.000 0.424 147 P HA -0.114 nan 4.420 nan 0.000 0.218 147 P C 0.713 178.044 177.300 0.052 0.000 1.148 147 P CA 0.998 64.123 63.100 0.041 0.000 0.822 147 P CB 0.270 31.989 31.700 0.031 0.000 0.784 148 R N -0.836 119.703 120.500 0.065 0.000 2.193 148 R HA -0.011 4.328 4.340 -0.001 0.000 0.229 148 R C 1.610 177.966 176.300 0.093 0.000 1.110 148 R CA 0.871 57.015 56.100 0.073 0.000 0.988 148 R CB -0.594 29.754 30.300 0.080 0.000 0.871 148 R HN 0.282 nan 8.270 nan 0.000 0.458 149 L N 0.426 121.721 121.223 0.120 0.000 2.667 149 L HA 0.136 4.475 4.340 -0.001 0.000 0.232 149 L C 0.532 177.486 176.870 0.140 0.000 1.138 149 L CA -0.208 54.740 54.840 0.180 0.000 0.921 149 L CB 0.124 42.352 42.059 0.283 0.000 1.180 149 L HN -0.019 nan 8.230 nan 0.000 0.487 150 K N 1.274 121.712 120.400 0.063 0.000 2.453 150 K HA 0.103 4.422 4.320 -0.001 0.000 0.280 150 K C 1.197 177.781 176.600 -0.028 0.000 1.045 150 K CA 0.930 57.215 56.287 -0.003 0.000 1.059 150 K CB 0.278 32.774 32.500 -0.006 0.000 0.901 150 K HN 0.244 nan 8.250 nan 0.000 0.475 151 G N 3.680 112.422 108.800 -0.098 0.000 2.175 151 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.265 151 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.265 151 G C 0.542 175.409 174.900 -0.055 0.000 0.979 151 G CA 0.560 45.600 45.100 -0.100 0.000 0.663 151 G HN 0.644 nan 8.290 nan 0.000 0.533 152 L N -1.178 120.052 121.223 0.012 0.000 2.509 152 L HA 0.439 4.778 4.340 -0.001 0.000 0.222 152 L C 1.080 178.070 176.870 0.200 0.000 1.123 152 L CA 0.674 55.574 54.840 0.099 0.000 0.856 152 L CB -0.142 42.009 42.059 0.153 0.000 0.985 152 L HN 0.514 nan 8.230 nan 0.000 0.456 153 F N -1.817 118.137 119.950 0.005 0.000 2.686 153 F HA 0.817 5.343 4.527 -0.001 0.000 0.311 153 F C -1.039 174.758 175.800 -0.004 0.000 1.128 153 F CA -1.158 56.853 58.000 0.019 0.000 0.946 153 F CB 1.007 40.035 39.000 0.048 0.000 1.336 153 F HN -0.306 nan 8.300 nan 0.000 0.457 154 A N 1.611 124.412 122.820 -0.032 0.000 2.527 154 A HA 0.814 5.133 4.320 -0.001 0.000 0.293 154 A C -2.667 174.906 177.584 -0.018 0.000 1.117 154 A CA -1.996 49.913 52.037 -0.213 0.000 0.723 154 A CB 1.384 20.261 19.000 -0.204 0.000 1.313 154 A HN 0.532 nan 8.150 nan 0.000 0.411 155 P HA -0.026 nan 4.420 nan 0.000 0.216 155 P C -0.374 177.009 177.300 0.139 0.000 1.150 155 P CA 1.971 65.091 63.100 0.034 0.000 0.837 155 P CB -0.132 31.549 31.700 -0.031 0.000 0.786 156 Y N -4.041 116.302 120.300 0.071 0.000 2.705 156 Y HA 0.791 5.340 4.550 -0.001 0.000 0.332 156 Y C -1.544 174.395 175.900 0.065 0.000 1.221 156 Y CA -2.439 55.703 58.100 0.070 0.000 1.059 156 Y CB 0.402 38.886 38.460 0.041 0.000 1.298 156 Y HN -0.155 nan 8.280 nan 0.000 0.459 157 A N 0.598 123.633 122.820 0.359 0.000 2.498 157 A HA 0.814 5.134 4.320 -0.001 0.000 0.298 157 A C -2.025 175.711 177.584 0.254 0.000 1.075 157 A CA -0.903 51.282 52.037 0.247 0.000 0.714 157 A CB 1.762 20.868 19.000 0.177 0.000 1.299 157 A HN 0.843 nan 8.150 nan 0.000 0.407 158 V N 1.999 122.026 119.914 0.189 0.000 2.378 158 V HA 0.550 4.669 4.120 -0.001 0.000 0.288 158 V C -0.148 176.006 176.094 0.099 0.000 1.016 158 V CA -0.466 61.909 62.300 0.125 0.000 0.840 158 V CB 1.170 33.056 31.823 0.105 0.000 0.994 158 V HN 1.072 nan 8.190 nan 0.000 0.431 159 V N 3.559 123.527 119.914 0.090 0.000 2.581 159 V HA 0.760 4.880 4.120 -0.001 0.000 0.303 159 V C -0.334 175.802 176.094 0.070 0.000 1.041 159 V CA -0.770 61.588 62.300 0.097 0.000 0.907 159 V CB 1.831 33.732 31.823 0.130 0.000 0.994 159 V HN 0.430 nan 8.190 nan 0.000 0.442 160 V N 4.637 124.594 119.914 0.071 0.000 2.383 160 V HA 0.575 4.694 4.120 -0.001 0.000 0.275 160 V C -0.089 176.056 176.094 0.085 0.000 1.036 160 V CA -0.267 62.062 62.300 0.048 0.000 0.889 160 V CB 1.289 33.135 31.823 0.038 0.000 0.985 160 V HN 0.791 nan 8.190 nan 0.000 0.459 161 V N 3.335 123.304 119.914 0.091 0.000 2.525 161 V HA 0.692 4.811 4.120 -0.001 0.000 0.299 161 V C 0.839 177.065 176.094 0.220 0.000 1.034 161 V CA 0.031 62.432 62.300 0.169 0.000 0.863 161 V CB 1.249 33.218 31.823 0.243 0.000 0.999 161 V HN 1.096 nan 8.190 nan 0.000 0.423 162 G N 3.242 112.145 108.800 0.172 0.000 2.283 162 G HA2 0.051 4.011 3.960 -0.001 0.000 0.280 162 G HA3 0.051 4.011 3.960 -0.001 0.000 0.280 162 G C 1.218 176.196 174.900 0.129 0.000 1.029 162 G CA 0.935 46.153 45.100 0.196 0.000 0.840 162 G HN 2.449 nan 8.290 nan 0.000 0.505 163 G N -2.038 106.789 108.800 0.044 0.000 2.179 163 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.260 163 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.260 163 G C 0.060 174.894 174.900 -0.109 0.000 0.977 163 G CA 0.946 46.037 45.100 -0.015 0.000 0.641 163 G HN 0.936 nan 8.290 nan 0.000 0.533 164 E N -0.044 120.026 120.200 -0.216 0.000 2.244 164 E HA 0.535 4.884 4.350 -0.001 0.000 0.266 164 E C 0.295 176.737 176.600 -0.264 0.000 0.914 164 E CA -0.808 55.347 56.400 -0.408 0.000 0.794 164 E CB 1.200 30.244 29.700 -1.092 0.000 1.210 164 E HN 0.393 nan 8.360 nan 0.000 0.414 165 R N 0.571 120.935 120.500 -0.226 0.000 2.349 165 R HA 0.505 4.844 4.340 -0.001 0.000 0.299 165 R C -0.574 175.638 176.300 -0.146 0.000 1.027 165 R CA -0.582 55.440 56.100 -0.130 0.000 0.958 165 R CB 1.150 31.394 30.300 -0.094 0.000 1.047 165 R HN 0.137 nan 8.270 nan 0.000 0.468 166 V N 1.928 121.802 119.914 -0.067 0.000 2.531 166 V HA 0.428 4.548 4.120 -0.001 0.000 0.301 166 V C 0.364 176.449 176.094 -0.015 0.000 1.034 166 V CA -0.926 61.342 62.300 -0.053 0.000 0.865 166 V CB 1.967 33.808 31.823 0.030 0.000 0.995 166 V HN 0.957 nan 8.190 nan 0.000 0.424 167 G N 4.352 113.122 108.800 -0.050 0.000 2.356 167 G HA2 0.709 4.669 3.960 -0.001 0.000 0.298 167 G HA3 0.709 4.669 3.960 -0.001 0.000 0.298 167 G C -0.771 174.140 174.900 0.018 0.000 1.145 167 G CA -0.404 44.679 45.100 -0.027 0.000 0.850 167 G HN 0.631 nan 8.290 nan 0.000 0.487 168 I N 2.490 123.114 120.570 0.091 0.000 2.439 168 I HA 0.284 4.454 4.170 -0.001 0.000 0.283 168 I C -0.459 175.756 176.117 0.164 0.000 1.023 168 I CA -0.458 60.913 61.300 0.118 0.000 1.100 168 I CB 1.859 39.948 38.000 0.148 0.000 1.238 168 I HN 0.219 nan 8.210 nan 0.000 0.445 169 I N 5.447 126.090 120.570 0.122 0.000 2.321 169 I HA 0.404 4.573 4.170 -0.001 0.000 0.291 169 I C 0.883 177.087 176.117 0.144 0.000 0.998 169 I CA -0.258 61.132 61.300 0.150 0.000 1.227 169 I CB 1.423 39.466 38.000 0.071 0.000 1.368 169 I HN 0.588 nan 8.210 nan 0.000 0.466 170 G N 6.983 115.889 108.800 0.177 0.000 2.425 170 G HA2 0.756 4.715 3.960 -0.001 0.000 0.302 170 G HA3 0.756 4.715 3.960 -0.001 0.000 0.302 170 G C -0.842 174.150 174.900 0.153 0.000 1.159 170 G CA -0.452 44.747 45.100 0.165 0.000 0.865 170 G HN 0.471 nan 8.290 nan 0.000 0.515 171 L N 0.307 121.616 121.223 0.143 0.000 2.482 171 L HA 0.471 4.810 4.340 -0.001 0.000 0.263 171 L C -0.546 176.410 176.870 0.143 0.000 0.957 171 L CA -0.763 54.158 54.840 0.135 0.000 0.836 171 L CB 2.914 45.037 42.059 0.107 0.000 1.324 171 L HN 0.476 nan 8.230 nan 0.000 0.406 172 T N -0.185 114.454 114.554 0.142 0.000 2.824 172 T HA 0.218 4.567 4.350 -0.001 0.000 0.282 172 T C -0.130 174.583 174.700 0.022 0.000 0.993 172 T CA -0.418 61.753 62.100 0.118 0.000 0.967 172 T CB 1.881 70.861 68.868 0.187 0.000 0.960 172 T HN 0.567 nan 8.240 nan 0.000 0.441 173 T N 4.019 118.523 114.554 -0.083 0.000 2.871 173 T HA 0.086 4.435 4.350 -0.001 0.000 0.296 173 T C -1.544 172.974 174.700 -0.304 0.000 0.998 173 T CA -0.993 60.995 62.100 -0.187 0.000 1.162 173 T CB 0.211 68.859 68.868 -0.367 0.000 0.947 173 T HN 0.220 nan 8.240 nan 0.000 0.536 174 P HA 0.010 nan 4.420 nan 0.000 0.225 174 P C 0.880 177.948 177.300 -0.388 0.000 1.148 174 P CA 0.495 63.437 63.100 -0.265 0.000 0.779 174 P CB 0.156 31.832 31.700 -0.041 0.000 0.780 175 D N -1.573 118.660 120.400 -0.279 0.000 2.378 175 D HA -0.079 4.561 4.640 -0.001 0.000 0.222 175 D C 1.501 177.622 176.300 -0.299 0.000 0.980 175 D CA 0.997 54.875 54.000 -0.204 0.000 0.907 175 D CB -0.656 40.101 40.800 -0.071 0.000 0.899 175 D HN 0.162 nan 8.370 nan 0.000 0.527 176 T N 0.465 114.672 114.554 -0.578 0.000 2.778 176 T HA -0.218 4.131 4.350 -0.001 0.000 0.269 176 T C 1.890 176.318 174.700 -0.454 0.000 1.050 176 T CA 0.946 62.670 62.100 -0.628 0.000 1.137 176 T CB 0.002 68.184 68.868 -1.142 0.000 0.860 176 T HN 0.245 nan 8.240 nan 0.000 0.468 177 R N 0.946 121.159 120.500 -0.479 0.000 2.105 177 R HA -0.133 4.206 4.340 -0.001 0.000 0.239 177 R C 2.078 178.351 176.300 -0.045 0.000 1.135 177 R CA 1.721 57.753 56.100 -0.114 0.000 0.967 177 R CB -0.024 30.268 30.300 -0.012 0.000 0.861 177 R HN 0.516 nan 8.270 nan 0.000 0.442 178 E N -0.065 120.098 120.200 -0.062 0.000 2.216 178 E HA -0.032 4.317 4.350 -0.001 0.000 0.192 178 E C 1.804 178.470 176.600 0.110 0.000 0.973 178 E CA 0.873 57.267 56.400 -0.010 0.000 0.851 178 E CB 0.164 29.843 29.700 -0.034 0.000 0.804 178 E HN 0.546 nan 8.360 nan 0.000 0.477 179 I N -2.302 118.323 120.570 0.092 0.000 3.793 179 I HA 0.217 4.386 4.170 -0.001 0.000 0.315 179 I C 0.920 177.094 176.117 0.094 0.000 1.275 179 I CA -0.094 61.306 61.300 0.166 0.000 1.214 179 I CB 0.651 38.685 38.000 0.057 0.000 1.018 179 I HN -0.139 nan 8.210 nan 0.000 0.439 180 S N 0.702 116.473 115.700 0.117 0.000 2.998 180 S HA 0.456 4.925 4.470 -0.001 0.000 0.323 180 S C -0.458 174.284 174.600 0.237 0.000 1.141 180 S CA -0.784 57.462 58.200 0.077 0.000 0.873 180 S CB 1.340 64.560 63.200 0.033 0.000 1.315 180 S HN 0.345 nan 8.310 nan 0.000 0.637 181 N N 1.855 120.697 118.700 0.236 0.000 2.660 181 N HA 0.258 4.997 4.740 -0.001 0.000 0.316 181 N C -2.178 173.483 175.510 0.252 0.000 1.774 181 N CA -0.964 52.236 53.050 0.249 0.000 0.946 181 N CB 1.246 39.885 38.487 0.252 0.000 1.322 181 N HN 0.425 nan 8.380 nan 0.000 0.492 182 P HA -0.072 nan 4.420 nan 0.000 0.218 182 P C 0.853 178.262 177.300 0.182 0.000 1.148 182 P CA 1.242 64.483 63.100 0.235 0.000 0.822 182 P CB 0.609 32.349 31.700 0.067 0.000 0.784 183 G N 0.576 109.459 108.800 0.138 0.000 2.757 183 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.638 183 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.638 183 G C -1.995 172.945 174.900 0.066 0.000 1.344 183 G CA -0.058 45.104 45.100 0.103 0.000 0.855 183 G HN 0.093 nan 8.290 nan 0.000 0.537 184 P HA 0.008 nan 4.420 nan 0.000 0.233 184 P C 1.440 178.752 177.300 0.019 0.000 1.167 184 P CA 2.065 65.183 63.100 0.031 0.000 0.770 184 P CB -0.063 31.655 31.700 0.030 0.000 0.837 185 T N -3.571 110.999 114.554 0.026 0.000 3.086 185 T HA 0.225 4.575 4.350 -0.001 0.000 0.250 185 T C 0.499 175.191 174.700 -0.012 0.000 1.074 185 T CA -0.190 61.920 62.100 0.018 0.000 0.988 185 T CB -0.293 68.600 68.868 0.042 0.000 0.988 185 T HN -0.182 nan 8.240 nan 0.000 0.530 186 V N 1.430 121.310 119.914 -0.057 0.000 2.588 186 V HA 0.842 4.961 4.120 -0.001 0.000 0.304 186 V C -0.073 175.808 176.094 -0.355 0.000 1.042 186 V CA -1.071 61.107 62.300 -0.203 0.000 0.877 186 V CB 1.285 32.970 31.823 -0.230 0.000 0.996 186 V HN 0.605 nan 8.190 nan 0.000 0.425 187 A N 4.032 126.574 122.820 -0.463 0.000 2.386 187 A HA 0.993 5.313 4.320 -0.001 0.000 0.308 187 A C -1.417 175.719 177.584 -0.748 0.000 1.128 187 A CA -0.477 51.312 52.037 -0.413 0.000 0.789 187 A CB 1.386 20.293 19.000 -0.155 0.000 1.325 187 A HN 0.607 nan 8.150 nan 0.000 0.437 188 F N 0.307 120.218 119.950 -0.065 0.000 2.507 188 F HA 0.599 5.125 4.527 -0.001 0.000 0.325 188 F C 0.028 175.818 175.800 -0.017 0.000 1.116 188 F CA -0.399 57.567 58.000 -0.058 0.000 0.930 188 F CB 1.745 40.686 39.000 -0.099 0.000 1.146 188 F HN 0.380 nan 8.300 nan 0.000 0.447 189 L N 0.806 122.112 121.223 0.139 0.000 2.365 189 L HA 0.446 4.786 4.340 -0.001 0.000 0.267 189 L C -0.339 176.599 176.870 0.112 0.000 1.033 189 L CA -1.121 53.780 54.840 0.101 0.000 0.802 189 L CB 1.037 43.139 42.059 0.072 0.000 1.267 189 L HN 0.489 nan 8.230 nan 0.000 0.457 190 D N 0.504 120.961 120.400 0.095 0.000 2.450 190 D HA 0.053 4.693 4.640 -0.001 0.000 0.247 190 D C -1.805 174.560 176.300 0.109 0.000 1.162 190 D CA -0.933 53.128 54.000 0.102 0.000 0.879 190 D CB 1.261 42.129 40.800 0.113 0.000 1.163 190 D HN 0.157 nan 8.370 nan 0.000 0.472 191 P HA -0.175 nan 4.420 nan 0.000 0.214 191 P C 0.905 178.271 177.300 0.110 0.000 1.163 191 P CA 1.030 64.193 63.100 0.105 0.000 0.883 191 P CB -0.109 31.650 31.700 0.098 0.000 0.788 192 Y N 1.294 121.603 120.300 0.015 0.000 2.070 192 Y HA -0.257 4.292 4.550 -0.001 0.000 0.280 192 Y C 2.151 178.048 175.900 -0.004 0.000 1.148 192 Y CA 1.862 59.962 58.100 -0.000 0.000 1.125 192 Y CB -0.920 37.541 38.460 0.001 0.000 0.975 192 Y HN -0.022 nan 8.280 nan 0.000 0.492 193 E N -0.503 119.699 120.200 0.004 0.000 2.085 193 E HA -0.195 4.155 4.350 -0.001 0.000 0.194 193 E C 2.309 178.845 176.600 -0.108 0.000 0.994 193 E CA 1.619 57.962 56.400 -0.095 0.000 0.801 193 E CB -0.217 29.521 29.700 0.064 0.000 0.743 193 E HN 0.419 nan 8.360 nan 0.000 0.453 194 S N 0.588 116.269 115.700 -0.032 0.000 2.355 194 S HA -0.127 4.342 4.470 -0.001 0.000 0.222 194 S C 2.116 176.690 174.600 -0.043 0.000 1.031 194 S CA 0.929 59.127 58.200 -0.004 0.000 0.993 194 S CB -0.165 63.066 63.200 0.051 0.000 0.859 194 S HN 0.386 nan 8.310 nan 0.000 0.453 195 A N 1.212 123.986 122.820 -0.077 0.000 1.873 195 A HA -0.134 4.185 4.320 -0.001 0.000 0.215 195 A C 2.125 179.567 177.584 -0.237 0.000 1.186 195 A CA 1.734 53.708 52.037 -0.105 0.000 0.616 195 A CB -0.749 18.208 19.000 -0.072 0.000 0.823 195 A HN 0.400 nan 8.150 nan 0.000 0.442 196 Q N 0.194 119.755 119.800 -0.399 0.000 2.124 196 Q HA -0.159 4.180 4.340 -0.001 0.000 0.202 196 Q C 1.981 177.592 176.000 -0.647 0.000 0.977 196 Q CA 2.240 57.681 55.803 -0.604 0.000 0.850 196 Q CB -0.316 27.956 28.738 -0.776 0.000 0.901 196 Q HN 0.699 nan 8.270 nan 0.000 0.429 197 K N -0.864 119.341 120.400 -0.325 0.000 2.026 197 K HA -0.108 4.211 4.320 -0.001 0.000 0.208 197 K C 1.879 178.428 176.600 -0.086 0.000 1.048 197 K CA 1.269 57.489 56.287 -0.111 0.000 0.929 197 K CB -0.332 32.166 32.500 -0.004 0.000 0.713 197 K HN 0.222 nan 8.250 nan 0.000 0.439 198 A N 0.725 123.494 122.820 -0.086 0.000 1.933 198 A HA -0.109 4.211 4.320 -0.001 0.000 0.218 198 A C 2.231 179.669 177.584 -0.242 0.000 1.175 198 A CA 1.638 53.634 52.037 -0.069 0.000 0.628 198 A CB -0.642 18.380 19.000 0.036 0.000 0.814 198 A HN 0.192 nan 8.150 nan 0.000 0.444 199 V N -1.138 118.608 119.914 -0.280 0.000 2.343 199 V HA -0.281 3.838 4.120 -0.001 0.000 0.247 199 V C 2.420 178.413 176.094 -0.168 0.000 1.051 199 V CA 2.000 64.130 62.300 -0.283 0.000 1.036 199 V CB -1.051 30.556 31.823 -0.361 0.000 0.654 199 V HN 0.654 nan 8.190 nan 0.000 0.451 200 Y N 0.725 120.961 120.300 -0.105 0.000 2.181 200 Y HA -0.149 4.400 4.550 -0.001 0.000 0.288 200 Y C 2.560 178.407 175.900 -0.087 0.000 1.146 200 Y CA 0.959 59.011 58.100 -0.081 0.000 1.164 200 Y CB -0.822 37.604 38.460 -0.056 0.000 0.982 200 Y HN 0.372 nan 8.280 nan 0.000 0.515 201 E N -0.062 120.171 120.200 0.055 0.000 2.077 201 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 201 E C 2.217 178.756 176.600 -0.101 0.000 0.989 201 E CA 1.158 57.563 56.400 0.008 0.000 0.800 201 E CB -0.380 29.365 29.700 0.074 0.000 0.746 201 E HN 0.404 nan 8.360 nan 0.000 0.452 202 L N 0.634 121.696 121.223 -0.268 0.000 2.017 202 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 202 L C 2.483 179.275 176.870 -0.129 0.000 1.073 202 L CA 0.888 55.558 54.840 -0.283 0.000 0.745 202 L CB -0.332 41.502 42.059 -0.375 0.000 0.894 202 L HN 0.169 nan 8.230 nan 0.000 0.432 203 L N -0.439 120.737 121.223 -0.079 0.000 2.079 203 L HA -0.209 4.130 4.340 -0.001 0.000 0.210 203 L C 2.788 179.644 176.870 -0.024 0.000 1.081 203 L CA 1.131 55.949 54.840 -0.036 0.000 0.752 203 L CB -0.749 41.319 42.059 0.016 0.000 0.896 203 L HN 0.258 nan 8.230 nan 0.000 0.433 204 A N -0.175 122.639 122.820 -0.010 0.000 2.070 204 A HA -0.167 4.152 4.320 -0.001 0.000 0.220 204 A C 2.111 179.689 177.584 -0.010 0.000 1.159 204 A CA 1.326 53.359 52.037 -0.006 0.000 0.656 204 A CB -0.260 18.745 19.000 0.008 0.000 0.800 204 A HN 0.359 nan 8.150 nan 0.000 0.453 205 K N -1.475 118.914 120.400 -0.019 0.000 2.404 205 K HA 0.259 4.578 4.320 -0.001 0.000 0.194 205 K C 0.916 177.500 176.600 -0.028 0.000 1.023 205 K CA 0.429 56.709 56.287 -0.013 0.000 1.094 205 K CB 0.122 32.622 32.500 0.000 0.000 0.841 205 K HN 0.596 nan 8.250 nan 0.000 0.523 206 G N 1.204 109.981 108.800 -0.038 0.000 2.141 206 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.242 206 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.242 206 G C -0.034 174.824 174.900 -0.070 0.000 0.982 206 G CA -0.148 44.923 45.100 -0.047 0.000 0.662 206 G HN 0.120 nan 8.290 nan 0.000 0.527 207 V N 1.601 121.465 119.914 -0.083 0.000 2.318 207 V HA 0.376 4.495 4.120 -0.001 0.000 0.271 207 V C 0.956 176.974 176.094 -0.127 0.000 1.030 207 V CA 0.067 62.298 62.300 -0.113 0.000 0.844 207 V CB 1.100 32.853 31.823 -0.116 0.000 1.015 207 V HN 0.533 nan 8.190 nan 0.000 0.460 208 N N 3.231 121.845 118.700 -0.143 0.000 2.282 208 N HA 0.053 4.792 4.740 -0.001 0.000 0.185 208 N C 0.331 175.711 175.510 -0.216 0.000 1.099 208 N CA -0.020 52.946 53.050 -0.140 0.000 0.878 208 N CB 0.279 38.705 38.487 -0.102 0.000 0.993 208 N HN 0.537 nan 8.380 nan 0.000 0.481 209 K N 0.972 121.183 120.400 -0.314 0.000 2.268 209 K HA 0.382 4.702 4.320 -0.001 0.000 0.276 209 K C -0.846 175.572 176.600 -0.303 0.000 1.080 209 K CA -0.199 55.771 56.287 -0.528 0.000 0.910 209 K CB 1.065 33.123 32.500 -0.738 0.000 1.163 209 K HN 0.146 nan 8.250 nan 0.000 0.465 210 I N 2.821 123.265 120.570 -0.210 0.000 2.498 210 I HA 0.329 4.499 4.170 -0.001 0.000 0.290 210 I C -0.664 175.435 176.117 -0.030 0.000 1.032 210 I CA -1.258 59.978 61.300 -0.106 0.000 1.073 210 I CB 2.102 40.036 38.000 -0.109 0.000 1.251 210 I HN 0.142 nan 8.210 nan 0.000 0.426 211 V N 6.479 126.396 119.914 0.004 0.000 2.604 211 V HA 0.405 4.524 4.120 -0.001 0.000 0.305 211 V C -0.168 175.949 176.094 0.038 0.000 1.043 211 V CA -0.771 61.553 62.300 0.040 0.000 0.888 211 V CB 2.395 34.261 31.823 0.072 0.000 0.995 211 V HN 0.381 nan 8.190 nan 0.000 0.429 212 V N 5.622 125.555 119.914 0.032 0.000 2.407 212 V HA 0.371 4.491 4.120 -0.001 0.000 0.278 212 V C -0.294 175.835 176.094 0.057 0.000 1.037 212 V CA -0.458 61.868 62.300 0.043 0.000 0.900 212 V CB 1.507 33.348 31.823 0.030 0.000 0.983 212 V HN 0.610 nan 8.190 nan 0.000 0.459 213 L N 5.797 127.072 121.223 0.086 0.000 2.297 213 L HA 0.545 4.885 4.340 -0.001 0.000 0.277 213 L C 0.168 177.108 176.870 0.117 0.000 1.040 213 L CA 0.594 55.495 54.840 0.102 0.000 0.867 213 L CB 1.112 43.248 42.059 0.129 0.000 1.244 213 L HN 0.691 nan 8.230 nan 0.000 0.433 214 S N 3.722 119.487 115.700 0.108 0.000 2.501 214 S HA 0.417 4.886 4.470 -0.001 0.000 0.301 214 S C -0.324 174.367 174.600 0.151 0.000 1.096 214 S CA -0.477 57.795 58.200 0.120 0.000 1.063 214 S CB 0.681 63.931 63.200 0.085 0.000 1.042 214 S HN 0.717 nan 8.310 nan 0.000 0.494 215 H N 5.243 124.355 119.070 0.070 0.000 2.429 215 H HA 0.405 4.960 4.556 -0.001 0.000 0.237 215 H C 0.030 175.349 175.328 -0.014 0.000 1.378 215 H CA -0.088 55.999 56.048 0.064 0.000 1.170 215 H CB -0.012 29.768 29.762 0.030 0.000 1.671 215 H HN 0.622 nan 8.280 nan 0.000 0.541 216 L N -0.153 121.074 121.223 0.006 0.000 2.537 216 L HA 0.340 4.679 4.340 -0.001 0.000 0.224 216 L C 0.843 177.799 176.870 0.143 0.000 1.065 216 L CA 0.555 55.410 54.840 0.025 0.000 0.860 216 L CB 0.721 42.809 42.059 0.048 0.000 1.086 216 L HN 0.493 nan 8.230 nan 0.000 0.482 217 G N -1.273 107.613 108.800 0.144 0.000 2.592 217 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.685 217 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.685 217 G C -0.454 174.540 174.900 0.158 0.000 1.278 217 G CA -0.241 44.963 45.100 0.174 0.000 0.822 217 G HN -0.042 nan 8.290 nan 0.000 0.652 218 Y N 1.586 121.906 120.300 0.033 0.000 2.081 218 Y HA -0.079 4.471 4.550 -0.001 0.000 0.280 218 Y C 2.669 178.578 175.900 0.015 0.000 1.163 218 Y CA 3.528 61.642 58.100 0.023 0.000 1.135 218 Y CB -0.605 37.869 38.460 0.023 0.000 0.970 218 Y HN 0.896 nan 8.280 nan 0.000 0.498 219 G N -0.120 108.658 108.800 -0.036 0.000 2.440 219 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.218 219 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.218 219 G C 1.544 176.379 174.900 -0.108 0.000 1.154 219 G CA 1.055 46.067 45.100 -0.146 0.000 0.767 219 G HN 0.390 nan 8.290 nan 0.000 0.552 220 E N 1.015 121.200 120.200 -0.026 0.000 2.106 220 E HA -0.078 4.272 4.350 -0.001 0.000 0.192 220 E C 2.167 178.753 176.600 -0.024 0.000 0.984 220 E CA 0.835 57.229 56.400 -0.010 0.000 0.806 220 E CB -0.264 29.456 29.700 0.033 0.000 0.750 220 E HN 0.339 nan 8.360 nan 0.000 0.458 221 D N 0.624 121.008 120.400 -0.027 0.000 2.117 221 D HA -0.100 4.539 4.640 -0.001 0.000 0.197 221 D C 2.201 178.454 176.300 -0.079 0.000 0.987 221 D CA 0.559 54.544 54.000 -0.025 0.000 0.829 221 D CB -0.180 40.627 40.800 0.012 0.000 0.961 221 D HN 0.173 nan 8.370 nan 0.000 0.460 222 L N 0.550 121.669 121.223 -0.173 0.000 2.046 222 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 222 L C 2.379 179.181 176.870 -0.113 0.000 1.077 222 L CA 1.171 55.895 54.840 -0.192 0.000 0.747 222 L CB -0.266 41.598 42.059 -0.326 0.000 0.896 222 L HN -0.026 nan 8.230 nan 0.000 0.432 223 K N -0.200 120.144 120.400 -0.094 0.000 2.057 223 K HA -0.184 4.135 4.320 -0.001 0.000 0.206 223 K C 2.029 178.607 176.600 -0.037 0.000 1.050 223 K CA 1.055 57.305 56.287 -0.062 0.000 0.935 223 K CB -0.264 32.204 32.500 -0.052 0.000 0.715 223 K HN 0.064 nan 8.250 nan 0.000 0.439 224 L N 1.194 122.408 121.223 -0.015 0.000 2.083 224 L HA -0.093 4.247 4.340 -0.001 0.000 0.209 224 L C 2.138 179.027 176.870 0.032 0.000 1.083 224 L CA 1.586 56.444 54.840 0.030 0.000 0.752 224 L CB -0.566 41.522 42.059 0.049 0.000 0.899 224 L HN 0.116 nan 8.230 nan 0.000 0.433 225 A N -0.637 122.181 122.820 -0.003 0.000 2.070 225 A HA -0.167 4.152 4.320 -0.001 0.000 0.220 225 A C 2.286 179.868 177.584 -0.003 0.000 1.159 225 A CA 1.411 53.443 52.037 -0.008 0.000 0.656 225 A CB -0.529 18.450 19.000 -0.036 0.000 0.800 225 A HN 0.531 nan 8.150 nan 0.000 0.453 226 R N -1.170 119.324 120.500 -0.011 0.000 2.297 226 R HA 0.118 4.458 4.340 -0.001 0.000 0.197 226 R C 1.686 177.989 176.300 0.005 0.000 0.943 226 R CA 0.508 56.602 56.100 -0.011 0.000 1.038 226 R CB 0.065 30.348 30.300 -0.028 0.000 0.957 226 R HN 0.500 nan 8.270 nan 0.000 0.484 227 R N -0.323 120.195 120.500 0.031 0.000 2.191 227 R HA 0.225 4.564 4.340 -0.001 0.000 0.196 227 R C 0.527 176.962 176.300 0.225 0.000 0.991 227 R CA -0.018 56.124 56.100 0.071 0.000 1.075 227 R CB 0.258 30.536 30.300 -0.038 0.000 1.040 227 R HN -0.008 nan 8.270 nan 0.000 0.526 228 L N 2.079 123.415 121.223 0.188 0.000 2.464 228 L HA 0.212 4.551 4.340 -0.001 0.000 0.264 228 L C 0.063 176.962 176.870 0.049 0.000 1.199 228 L CA -0.603 54.302 54.840 0.108 0.000 0.818 228 L CB 1.089 43.163 42.059 0.026 0.000 1.102 228 L HN -0.071 nan 8.230 nan 0.000 0.473 229 V N -1.593 118.322 119.914 0.001 0.000 2.735 229 V HA 0.886 5.005 4.120 -0.001 0.000 0.310 229 V C 0.385 176.465 176.094 -0.024 0.000 1.061 229 V CA 0.114 62.422 62.300 0.013 0.000 0.913 229 V CB 1.225 33.080 31.823 0.053 0.000 1.005 229 V HN 0.973 nan 8.190 nan 0.000 0.428 230 G N 2.398 111.196 108.800 -0.003 0.000 2.176 230 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.232 230 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.232 230 G C -0.124 174.758 174.900 -0.030 0.000 0.986 230 G CA 0.009 45.099 45.100 -0.017 0.000 0.643 230 G HN 1.456 nan 8.290 nan 0.000 0.522 231 V N 0.708 120.611 119.914 -0.019 0.000 2.495 231 V HA 0.554 4.673 4.120 -0.001 0.000 0.298 231 V C 0.756 176.865 176.094 0.025 0.000 1.031 231 V CA -0.194 62.101 62.300 -0.009 0.000 0.871 231 V CB 1.685 33.495 31.823 -0.022 0.000 0.988 231 V HN 0.296 nan 8.190 nan 0.000 0.432 232 Q N 2.989 122.829 119.800 0.067 0.000 2.392 232 Q HA 0.332 4.671 4.340 -0.001 0.000 0.219 232 Q C -0.170 175.857 176.000 0.045 0.000 0.895 232 Q CA 0.406 56.268 55.803 0.098 0.000 0.929 232 Q CB 0.877 29.777 28.738 0.269 0.000 1.077 232 Q HN 0.570 nan 8.270 nan 0.000 0.532 233 V N 0.960 120.903 119.914 0.048 0.000 2.808 233 V HA 0.464 4.583 4.120 -0.001 0.000 0.308 233 V C -1.043 175.046 176.094 -0.008 0.000 1.099 233 V CA -0.731 61.569 62.300 0.001 0.000 0.920 233 V CB 2.449 34.294 31.823 0.035 0.000 1.014 233 V HN 0.101 nan 8.190 nan 0.000 0.425 234 I N 3.984 124.532 120.570 -0.036 0.000 2.410 234 I HA 0.444 4.613 4.170 -0.001 0.000 0.286 234 I C -0.803 175.286 176.117 -0.046 0.000 1.009 234 I CA -0.795 60.493 61.300 -0.020 0.000 1.111 234 I CB 2.081 40.076 38.000 -0.007 0.000 1.262 234 I HN 0.276 nan 8.210 nan 0.000 0.443 235 V N 6.054 125.938 119.914 -0.050 0.000 2.333 235 V HA 0.630 4.749 4.120 -0.001 0.000 0.274 235 V C 0.648 176.743 176.094 0.001 0.000 1.028 235 V CA -0.156 62.069 62.300 -0.124 0.000 0.851 235 V CB 0.993 32.706 31.823 -0.183 0.000 1.000 235 V HN 0.921 nan 8.190 nan 0.000 0.456 236 G N 2.691 111.521 108.800 0.050 0.000 3.175 236 G HA2 0.914 4.873 3.960 -0.001 0.000 0.255 236 G HA3 0.914 4.873 3.960 -0.001 0.000 0.255 236 G C -0.134 174.846 174.900 0.133 0.000 1.352 236 G CA -0.113 45.049 45.100 0.103 0.000 1.037 236 G HN 1.018 nan 8.290 nan 0.000 0.556 237 G N -3.104 105.744 108.800 0.080 0.000 2.635 237 G HA2 0.468 4.427 3.960 -0.001 0.000 0.194 237 G HA3 0.468 4.427 3.960 -0.001 0.000 0.194 237 G C 0.209 175.076 174.900 -0.054 0.000 1.198 237 G CA 1.238 46.363 45.100 0.042 0.000 0.972 237 G HN 1.616 nan 8.290 nan 0.000 0.520 238 H N -0.996 117.854 119.070 -0.367 0.000 4.880 238 H HA -0.304 4.252 4.556 -0.001 0.000 0.084 238 H C 1.990 177.401 175.328 0.137 0.000 0.577 238 H CA 3.593 59.460 56.048 -0.301 0.000 1.124 238 H CB -1.415 28.017 29.762 -0.550 0.000 0.507 238 H HN 0.964 nan 8.280 nan 0.000 0.707 239 S N -0.541 115.189 115.700 0.050 0.000 2.575 239 S HA 0.108 4.578 4.470 -0.001 0.000 0.215 239 S C 0.368 175.065 174.600 0.161 0.000 0.966 239 S CA 0.563 58.773 58.200 0.017 0.000 0.911 239 S CB -0.032 63.205 63.200 0.061 0.000 0.780 239 S HN 0.672 nan 8.310 nan 0.000 0.514 240 H N 1.330 120.405 119.070 0.009 0.000 2.713 240 H HA -0.113 4.443 4.556 -0.001 0.000 0.311 240 H C -0.463 174.937 175.328 0.120 0.000 1.175 240 H CA 0.679 56.761 56.048 0.058 0.000 1.143 240 H CB -2.704 27.043 29.762 -0.025 0.000 1.434 240 H HN 0.398 nan 8.280 nan 0.000 0.418 241 T N 1.081 115.714 114.554 0.133 0.000 2.794 241 T HA 0.330 4.679 4.350 -0.001 0.000 0.296 241 T C 0.756 175.421 174.700 -0.058 0.000 0.949 241 T CA -0.689 61.394 62.100 -0.029 0.000 1.101 241 T CB 1.115 69.848 68.868 -0.226 0.000 0.905 241 T HN 0.225 nan 8.240 nan 0.000 0.516 242 L N 5.866 126.955 121.223 -0.223 0.000 2.261 242 L HA 0.516 4.855 4.340 -0.001 0.000 0.289 242 L C -1.038 175.737 176.870 -0.159 0.000 1.059 242 L CA -0.046 54.599 54.840 -0.325 0.000 0.816 242 L CB -0.155 41.388 42.059 -0.861 0.000 1.191 242 L HN 0.560 nan 8.230 nan 0.000 0.431 243 L N 5.393 126.619 121.223 0.006 0.000 2.342 243 L HA 0.975 5.314 4.340 -0.001 0.000 0.271 243 L C 0.563 177.522 176.870 0.148 0.000 1.008 243 L CA -0.296 54.576 54.840 0.053 0.000 0.818 243 L CB 1.747 43.852 42.059 0.077 0.000 1.296 243 L HN 0.841 nan 8.230 nan 0.000 0.427 244 G N 1.507 110.333 108.800 0.043 0.000 2.352 244 G HA2 0.029 3.989 3.960 -0.001 0.000 0.324 244 G HA3 0.029 3.989 3.960 -0.001 0.000 0.324 244 G C -1.016 173.643 174.900 -0.403 0.000 1.249 244 G CA -0.247 44.751 45.100 -0.169 0.000 1.053 244 G HN 0.916 nan 8.290 nan 0.000 0.492 245 S N -0.995 114.236 115.700 -0.782 0.000 2.541 245 S HA 0.885 5.354 4.470 -0.001 0.000 0.280 245 S C -1.108 172.865 174.600 -1.045 0.000 1.112 245 S CA -0.733 57.082 58.200 -0.641 0.000 0.925 245 S CB 2.067 65.087 63.200 -0.300 0.000 1.067 245 S HN 1.249 nan 8.310 nan 0.000 0.479 246 F N 1.324 121.225 119.950 -0.082 0.000 2.588 246 F HA 0.598 5.124 4.527 -0.001 0.000 0.314 246 F C -1.795 173.912 175.800 -0.154 0.000 1.069 246 F CA -2.049 55.889 58.000 -0.104 0.000 0.931 246 F CB 1.757 40.721 39.000 -0.059 0.000 1.260 246 F HN 0.430 nan 8.300 nan 0.000 0.465 247 P HA 0.011 nan 4.420 nan 0.000 0.253 247 P C -0.655 176.450 177.300 -0.324 0.000 1.281 247 P CA 0.647 63.599 63.100 -0.247 0.000 0.792 247 P CB -0.040 31.475 31.700 -0.308 0.000 1.193 248 H N 0.254 119.383 119.070 0.098 0.000 2.539 248 H HA 0.268 4.823 4.556 -0.001 0.000 0.332 248 H C 0.991 176.341 175.328 0.036 0.000 1.031 248 H CA -0.632 55.447 56.048 0.053 0.000 1.206 248 H CB 2.046 31.828 29.762 0.033 0.000 1.446 248 H HN -0.054 nan 8.280 nan 0.000 0.496 249 K N 1.671 122.150 120.400 0.132 0.000 2.280 249 K HA -0.135 4.184 4.320 -0.001 0.000 0.202 249 K C 0.809 177.439 176.600 0.051 0.000 1.047 249 K CA 1.133 57.462 56.287 0.070 0.000 0.942 249 K CB 0.327 32.856 32.500 0.049 0.000 0.739 249 K HN 0.500 nan 8.250 nan 0.000 0.457 250 E N 0.339 120.574 120.200 0.057 0.000 2.418 250 E HA -0.026 4.324 4.350 -0.001 0.000 0.197 250 E C -0.029 176.557 176.600 -0.023 0.000 1.026 250 E CA 0.491 56.899 56.400 0.013 0.000 0.862 250 E CB 0.098 29.799 29.700 0.000 0.000 0.799 250 E HN 0.180 nan 8.360 nan 0.000 0.518 251 L N 0.266 121.475 121.223 -0.023 0.000 2.322 251 L HA 0.382 4.722 4.340 -0.001 0.000 0.279 251 L C -0.267 176.562 176.870 -0.068 0.000 1.036 251 L CA -0.555 54.212 54.840 -0.121 0.000 0.807 251 L CB 1.755 43.685 42.059 -0.215 0.000 1.226 251 L HN -0.205 nan 8.230 nan 0.000 0.433 252 S N 2.418 118.040 115.700 -0.130 0.000 2.389 252 S HA 0.366 4.835 4.470 -0.001 0.000 0.201 252 S C -2.305 172.226 174.600 -0.115 0.000 1.422 252 S CA -0.935 57.217 58.200 -0.080 0.000 1.216 252 S CB 1.002 64.161 63.200 -0.068 0.000 1.130 252 S HN 0.407 nan 8.310 nan 0.000 0.465 253 P HA 0.208 nan 4.420 nan 0.000 0.267 253 P C 0.467 177.718 177.300 -0.081 0.000 1.200 253 P CA -0.195 62.864 63.100 -0.068 0.000 0.772 253 P CB 0.573 32.295 31.700 0.036 0.000 0.855 254 A N 1.592 124.342 122.820 -0.116 0.000 2.132 254 A HA 0.464 4.784 4.320 -0.001 0.000 0.213 254 A C 0.984 178.548 177.584 -0.034 0.000 1.154 254 A CA 1.351 53.338 52.037 -0.083 0.000 0.753 254 A CB -0.448 18.479 19.000 -0.121 0.000 0.826 254 A HN 0.676 nan 8.150 nan 0.000 0.469 255 G N -1.328 107.441 108.800 -0.053 0.000 2.548 255 G HA2 0.507 4.466 3.960 -0.001 0.000 0.301 255 G HA3 0.507 4.466 3.960 -0.001 0.000 0.301 255 G C -3.496 171.412 174.900 0.014 0.000 1.349 255 G CA -0.667 44.443 45.100 0.017 0.000 0.792 255 G HN -0.049 nan 8.290 nan 0.000 0.481 256 P HA 0.345 nan 4.420 nan 0.000 0.282 256 P C -1.767 175.577 177.300 0.074 0.000 1.259 256 P CA -0.429 62.699 63.100 0.048 0.000 0.826 256 P CB 1.688 33.415 31.700 0.044 0.000 1.064 257 Y N 3.571 123.861 120.300 -0.017 0.000 2.402 257 Y HA 0.393 4.942 4.550 -0.002 0.000 0.332 257 Y C -2.156 173.764 175.900 0.033 0.000 0.960 257 Y CA -2.094 56.013 58.100 0.011 0.000 1.228 257 Y CB 1.243 39.697 38.460 -0.010 0.000 1.120 257 Y HN 0.304 nan 8.280 nan 0.000 0.491 258 P HA 0.380 nan 4.420 nan 0.000 0.287 258 P C -1.058 176.160 177.300 -0.137 0.000 1.296 258 P CA -0.517 62.337 63.100 -0.411 0.000 0.811 258 P CB 1.697 33.124 31.700 -0.454 0.000 1.211 259 T N -0.154 114.344 114.554 -0.093 0.000 2.824 259 T HA 0.430 4.780 4.350 -0.001 0.000 0.280 259 T C -0.309 174.346 174.700 -0.074 0.000 0.995 259 T CA -0.362 61.738 62.100 -0.000 0.000 1.009 259 T CB 0.840 69.794 68.868 0.143 0.000 0.955 259 T HN 0.106 nan 8.240 nan 0.000 0.452 260 V N 3.973 123.850 119.914 -0.061 0.000 2.495 260 V HA 0.752 4.871 4.120 -0.001 0.000 0.298 260 V C 0.023 176.082 176.094 -0.058 0.000 1.031 260 V CA -0.776 61.468 62.300 -0.094 0.000 0.871 260 V CB 1.503 33.279 31.823 -0.079 0.000 0.988 260 V HN 0.815 nan 8.190 nan 0.000 0.432 261 V N 1.563 121.437 119.914 -0.066 0.000 3.141 261 V HA 0.785 4.904 4.120 -0.001 0.000 0.312 261 V C -0.878 175.196 176.094 -0.035 0.000 1.157 261 V CA -1.031 61.240 62.300 -0.048 0.000 1.041 261 V CB 2.520 34.307 31.823 -0.059 0.000 1.071 261 V HN 0.651 nan 8.190 nan 0.000 0.441 262 K N 2.914 123.301 120.400 -0.021 0.000 2.182 262 K HA 0.466 4.785 4.320 -0.001 0.000 0.262 262 K C -0.427 176.170 176.600 -0.005 0.000 0.957 262 K CA -0.343 55.939 56.287 -0.008 0.000 0.842 262 K CB 1.797 34.297 32.500 -0.001 0.000 1.099 262 K HN 1.055 nan 8.250 nan 0.000 0.438 263 N N 1.833 120.536 118.700 0.004 0.000 2.405 263 N HA 0.264 5.003 4.740 -0.001 0.000 0.269 263 N C -2.113 173.409 175.510 0.019 0.000 1.249 263 N CA -1.660 51.398 53.050 0.013 0.000 0.974 263 N CB -0.264 38.234 38.487 0.020 0.000 1.204 263 N HN 0.059 nan 8.380 nan 0.000 0.565 264 P HA -0.091 nan 4.420 nan 0.000 0.220 264 P C 0.064 177.383 177.300 0.030 0.000 1.144 264 P CA 1.440 64.559 63.100 0.032 0.000 0.800 264 P CB 0.113 31.842 31.700 0.049 0.000 0.772 265 E N -1.846 118.374 120.200 0.032 0.000 2.463 265 E HA 0.232 4.581 4.350 -0.001 0.000 0.193 265 E C 1.070 177.686 176.600 0.026 0.000 1.041 265 E CA 0.337 56.756 56.400 0.031 0.000 0.879 265 E CB -0.203 29.519 29.700 0.036 0.000 0.997 265 E HN 0.130 nan 8.360 nan 0.000 0.478 266 G N 2.353 111.167 108.800 0.022 0.000 2.143 266 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.248 266 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.248 266 G C 0.041 174.955 174.900 0.023 0.000 0.991 266 G CA 0.222 45.334 45.100 0.020 0.000 0.689 266 G HN 0.157 nan 8.290 nan 0.000 0.522 267 K N 0.576 120.992 120.400 0.026 0.000 2.110 267 K HA 0.417 4.736 4.320 -0.001 0.000 0.263 267 K C -0.434 176.178 176.600 0.020 0.000 0.975 267 K CA -0.930 55.375 56.287 0.031 0.000 0.895 267 K CB 0.963 33.486 32.500 0.039 0.000 1.060 267 K HN 0.082 nan 8.250 nan 0.000 0.448 268 D N 1.497 121.910 120.400 0.022 0.000 2.389 268 D HA 0.120 4.759 4.640 -0.001 0.000 0.247 268 D C -0.567 175.707 176.300 -0.044 0.000 1.128 268 D CA 0.038 54.032 54.000 -0.010 0.000 0.884 268 D CB 1.239 42.042 40.800 0.004 0.000 1.194 268 D HN -0.001 nan 8.370 nan 0.000 0.441 269 V N 3.341 123.210 119.914 -0.076 0.000 2.531 269 V HA 0.285 4.404 4.120 -0.001 0.000 0.301 269 V C 0.127 176.131 176.094 -0.150 0.000 1.034 269 V CA -0.810 61.439 62.300 -0.084 0.000 0.865 269 V CB 1.655 33.450 31.823 -0.048 0.000 0.995 269 V HN 0.307 nan 8.190 nan 0.000 0.424 270 L N 5.225 126.331 121.223 -0.195 0.000 2.276 270 L HA 0.632 4.971 4.340 -0.001 0.000 0.286 270 L C -0.535 176.235 176.870 -0.168 0.000 1.061 270 L CA -0.631 54.052 54.840 -0.261 0.000 0.807 270 L CB 1.573 43.409 42.059 -0.372 0.000 1.177 270 L HN 0.347 nan 8.230 nan 0.000 0.429 271 V N 4.358 124.188 119.914 -0.140 0.000 2.448 271 V HA 0.565 4.684 4.120 -0.001 0.000 0.295 271 V C 0.015 176.068 176.094 -0.068 0.000 1.025 271 V CA -0.603 61.661 62.300 -0.060 0.000 0.859 271 V CB 1.979 33.803 31.823 0.001 0.000 0.988 271 V HN 0.573 nan 8.190 nan 0.000 0.431 272 V N 2.638 122.506 119.914 -0.077 0.000 3.102 272 V HA 0.902 5.022 4.120 -0.001 0.000 0.312 272 V C -0.911 175.266 176.094 0.139 0.000 1.135 272 V CA -0.632 61.623 62.300 -0.075 0.000 1.022 272 V CB 1.942 33.625 31.823 -0.233 0.000 1.056 272 V HN 0.902 nan 8.190 nan 0.000 0.436 273 Q N 0.818 120.818 119.800 0.333 0.000 2.522 273 Q HA 0.765 5.104 4.340 -0.001 0.000 0.285 273 Q C -1.197 175.058 176.000 0.425 0.000 0.982 273 Q CA -0.169 55.838 55.803 0.341 0.000 0.805 273 Q CB 2.271 31.102 28.738 0.155 0.000 1.457 273 Q HN 1.456 nan 8.270 nan 0.000 0.394 274 A N 2.328 125.346 122.820 0.329 0.000 2.956 274 A HA 0.357 4.677 4.320 -0.001 0.000 0.294 274 A C -0.292 177.447 177.584 0.258 0.000 0.993 274 A CA -0.117 52.063 52.037 0.238 0.000 1.032 274 A CB -0.393 18.668 19.000 0.101 0.000 1.129 274 A HN 0.832 nan 8.150 nan 0.000 0.505 275 W N 1.271 122.561 121.300 -0.016 0.000 2.457 275 W HA -0.351 4.308 4.660 -0.001 0.000 0.300 275 W C 0.173 176.578 176.519 -0.191 0.000 1.731 275 W CA 2.410 59.693 57.345 -0.104 0.000 1.793 275 W CB -1.218 28.162 29.460 -0.134 0.000 0.920 275 W HN 0.953 nan 8.180 nan 0.000 0.467 276 E N -1.798 118.186 120.200 -0.360 0.000 2.429 276 E HA 0.360 4.709 4.350 -0.001 0.000 0.280 276 E C -0.609 175.716 176.600 -0.457 0.000 1.068 276 E CA -0.279 55.771 56.400 -0.583 0.000 0.837 276 E CB 0.299 29.411 29.700 -0.981 0.000 1.357 276 E HN 0.441 nan 8.360 nan 0.000 0.455 277 W N 0.486 121.558 121.300 -0.380 0.000 5.692 277 W HA -0.193 4.466 4.660 -0.001 0.000 0.371 277 W C 1.105 177.485 176.519 -0.233 0.000 1.354 277 W CA 1.860 58.996 57.345 -0.348 0.000 0.955 277 W CB -2.387 26.694 29.460 -0.632 0.000 2.465 277 W HN 1.552 nan 8.180 nan 0.000 1.554 278 G N -1.101 107.710 108.800 0.019 0.000 2.168 278 G HA2 -0.430 3.529 3.960 -0.001 0.000 0.257 278 G HA3 -0.430 3.529 3.960 -0.001 0.000 0.257 278 G C 1.352 176.238 174.900 -0.022 0.000 0.997 278 G CA 0.852 45.952 45.100 -0.000 0.000 0.708 278 G HN 0.450 nan 8.290 nan 0.000 0.520 279 K N -1.165 119.183 120.400 -0.087 0.000 2.288 279 K HA 0.286 4.605 4.320 -0.001 0.000 0.201 279 K C 0.785 177.420 176.600 0.059 0.000 1.048 279 K CA 1.040 57.272 56.287 -0.092 0.000 0.956 279 K CB 0.382 32.639 32.500 -0.405 0.000 0.746 279 K HN 0.344 nan 8.250 nan 0.000 0.461 280 V N 0.738 120.710 119.914 0.096 0.000 2.925 280 V HA 0.292 4.412 4.120 -0.001 0.000 0.311 280 V C -0.899 175.251 176.094 0.093 0.000 1.104 280 V CA -0.962 61.424 62.300 0.144 0.000 0.954 280 V CB 2.480 34.446 31.823 0.238 0.000 1.022 280 V HN -0.298 nan 8.190 nan 0.000 0.427 281 V N 2.084 122.040 119.914 0.071 0.000 2.531 281 V HA 0.746 4.865 4.120 -0.001 0.000 0.301 281 V C 0.488 176.516 176.094 -0.110 0.000 1.034 281 V CA -0.326 62.004 62.300 0.050 0.000 0.865 281 V CB 1.962 33.906 31.823 0.202 0.000 0.995 281 V HN 1.010 nan 8.190 nan 0.000 0.424 282 G N 4.257 112.837 108.800 -0.365 0.000 2.377 282 G HA2 0.655 4.614 3.960 -0.001 0.000 0.299 282 G HA3 0.655 4.614 3.960 -0.001 0.000 0.299 282 G C -1.207 173.609 174.900 -0.139 0.000 1.150 282 G CA -0.368 44.451 45.100 -0.469 0.000 0.847 282 G HN 0.530 nan 8.290 nan 0.000 0.501 283 L N 2.076 123.297 121.223 -0.003 0.000 2.415 283 L HA 0.391 4.731 4.340 -0.001 0.000 0.268 283 L C -0.666 176.359 176.870 0.258 0.000 0.984 283 L CA -0.510 54.396 54.840 0.110 0.000 0.853 283 L CB 1.977 44.048 42.059 0.020 0.000 1.215 283 L HN 0.395 nan 8.230 nan 0.000 0.419 284 L N 3.327 124.728 121.223 0.296 0.000 2.342 284 L HA 0.485 4.825 4.340 -0.001 0.000 0.276 284 L C -0.228 176.704 176.870 0.102 0.000 0.997 284 L CA -0.053 54.937 54.840 0.249 0.000 0.838 284 L CB 1.564 43.756 42.059 0.222 0.000 1.224 284 L HN 0.581 nan 8.230 nan 0.000 0.416 285 E N 4.955 125.192 120.200 0.062 0.000 2.115 285 E HA 0.502 4.852 4.350 -0.001 0.000 0.282 285 E C -1.247 175.322 176.600 -0.051 0.000 0.987 285 E CA -0.634 55.755 56.400 -0.019 0.000 0.797 285 E CB 1.129 30.806 29.700 -0.038 0.000 1.086 285 E HN 0.541 nan 8.360 nan 0.000 0.397 286 V N 1.607 121.439 119.914 -0.138 0.000 2.628 286 V HA 0.615 4.734 4.120 -0.001 0.000 0.306 286 V C -0.226 175.579 176.094 -0.482 0.000 1.045 286 V CA -0.689 61.430 62.300 -0.302 0.000 0.905 286 V CB 1.749 33.316 31.823 -0.426 0.000 0.997 286 V HN 0.535 nan 8.190 nan 0.000 0.436 287 T N 5.284 119.552 114.554 -0.476 0.000 2.792 287 T HA 0.753 5.102 4.350 -0.001 0.000 0.280 287 T C -0.845 173.613 174.700 -0.404 0.000 0.990 287 T CA 0.089 61.978 62.100 -0.350 0.000 0.960 287 T CB 0.811 69.579 68.868 -0.165 0.000 0.939 287 T HN 0.526 nan 8.240 nan 0.000 0.439 288 F N 1.832 121.842 119.950 0.100 0.000 2.523 288 F HA 0.549 5.075 4.527 -0.001 0.000 0.329 288 F C 0.693 176.559 175.800 0.111 0.000 1.061 288 F CA -1.248 56.824 58.000 0.120 0.000 0.967 288 F CB 1.250 40.352 39.000 0.171 0.000 1.218 288 F HN 0.529 nan 8.300 nan 0.000 0.480 289 D N 0.175 120.750 120.400 0.291 0.000 2.549 289 D HA 0.501 5.140 4.640 -0.001 0.000 0.270 289 D C 0.900 177.290 176.300 0.150 0.000 1.181 289 D CA -0.484 53.621 54.000 0.174 0.000 1.070 289 D CB 0.345 41.215 40.800 0.116 0.000 1.154 289 D HN 0.528 nan 8.370 nan 0.000 0.602 290 A N -0.341 122.534 122.820 0.092 0.000 1.940 290 A HA -0.224 4.095 4.320 -0.001 0.000 0.219 290 A C 1.747 179.349 177.584 0.030 0.000 1.176 290 A CA 1.479 53.547 52.037 0.051 0.000 0.631 290 A CB -0.784 18.236 19.000 0.034 0.000 0.814 290 A HN 0.562 nan 8.150 nan 0.000 0.446 291 K N -1.487 118.938 120.400 0.042 0.000 2.525 291 K HA 0.212 4.531 4.320 -0.001 0.000 0.192 291 K C 1.026 177.639 176.600 0.021 0.000 1.029 291 K CA 0.459 56.761 56.287 0.026 0.000 1.029 291 K CB -0.108 32.413 32.500 0.034 0.000 0.814 291 K HN 0.700 nan 8.250 nan 0.000 0.503 292 G N 2.389 111.216 108.800 0.045 0.000 2.141 292 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.242 292 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.242 292 G C -0.225 174.775 174.900 0.166 0.000 0.982 292 G CA 0.188 45.293 45.100 0.008 0.000 0.662 292 G HN 0.448 nan 8.290 nan 0.000 0.527 293 E N -0.170 120.150 120.200 0.201 0.000 2.301 293 E HA 0.573 4.922 4.350 -0.001 0.000 0.275 293 E C 0.705 177.472 176.600 0.278 0.000 1.030 293 E CA -0.913 55.613 56.400 0.211 0.000 0.852 293 E CB 0.568 30.341 29.700 0.122 0.000 1.060 293 E HN 0.285 nan 8.360 nan 0.000 0.401 294 L N 5.944 127.300 121.223 0.221 0.000 2.477 294 L HA 0.029 4.368 4.340 -0.001 0.000 0.272 294 L C 0.423 177.331 176.870 0.063 0.000 1.157 294 L CA 0.084 54.982 54.840 0.096 0.000 0.889 294 L CB 0.313 42.418 42.059 0.076 0.000 1.158 294 L HN 0.838 nan 8.230 nan 0.000 0.473 295 L N 5.200 126.427 121.223 0.007 0.000 2.316 295 L HA 0.411 4.751 4.340 -0.001 0.000 0.207 295 L C 0.583 177.436 176.870 -0.028 0.000 1.070 295 L CA 0.323 55.165 54.840 0.004 0.000 0.820 295 L CB 0.077 42.136 42.059 0.001 0.000 0.992 295 L HN 0.733 nan 8.230 nan 0.000 0.466 296 A N -0.901 121.887 122.820 -0.054 0.000 2.601 296 A HA 0.639 4.959 4.320 -0.001 0.000 0.291 296 A C -2.051 175.502 177.584 -0.052 0.000 1.075 296 A CA -0.395 51.568 52.037 -0.122 0.000 0.671 296 A CB 1.200 20.110 19.000 -0.150 0.000 1.277 296 A HN 0.165 nan 8.150 nan 0.000 0.417 297 Y N -1.107 119.127 120.300 -0.110 0.000 2.565 297 Y HA 0.756 5.306 4.550 -0.001 0.000 0.330 297 Y C -0.944 174.918 175.900 -0.064 0.000 1.150 297 Y CA -0.989 57.045 58.100 -0.109 0.000 1.055 297 Y CB 1.193 39.585 38.460 -0.114 0.000 1.337 297 Y HN 0.948 nan 8.280 nan 0.000 0.457 298 K N 1.675 122.144 120.400 0.114 0.000 2.523 298 K HA 0.930 5.249 4.320 -0.001 0.000 0.257 298 K C -1.252 175.441 176.600 0.154 0.000 0.932 298 K CA -0.809 55.529 56.287 0.084 0.000 0.812 298 K CB 2.510 35.010 32.500 -0.001 0.000 1.326 298 K HN 1.371 nan 8.250 nan 0.000 0.433 299 G N 1.324 110.247 108.800 0.205 0.000 2.660 299 G HA2 0.604 4.563 3.960 -0.001 0.000 0.290 299 G HA3 0.604 4.563 3.960 -0.001 0.000 0.290 299 G C -1.950 173.114 174.900 0.274 0.000 1.432 299 G CA -0.910 44.389 45.100 0.331 0.000 0.807 299 G HN 0.853 nan 8.290 nan 0.000 0.485 300 E N -1.344 118.897 120.200 0.068 0.000 2.375 300 E HA 0.627 4.977 4.350 -0.001 0.000 0.280 300 E C -0.902 175.269 176.600 -0.716 0.000 0.972 300 E CA -1.191 55.064 56.400 -0.241 0.000 0.782 300 E CB 1.888 31.510 29.700 -0.130 0.000 1.229 300 E HN 0.977 nan 8.360 nan 0.000 0.439 301 A N 2.505 124.906 122.820 -0.698 0.000 2.249 301 A HA 0.499 4.819 4.320 -0.001 0.000 0.314 301 A C -0.950 176.580 177.584 -0.089 0.000 1.290 301 A CA -0.684 51.045 52.037 -0.513 0.000 0.893 301 A CB 0.420 19.264 19.000 -0.260 0.000 1.165 301 A HN 0.490 nan 8.150 nan 0.000 0.530 302 L N 3.872 125.080 121.223 -0.024 0.000 2.261 302 L HA 0.466 4.806 4.340 -0.001 0.000 0.289 302 L C -0.456 176.522 176.870 0.181 0.000 1.059 302 L CA -0.552 54.343 54.840 0.091 0.000 0.816 302 L CB 0.882 42.973 42.059 0.053 0.000 1.191 302 L HN 0.631 nan 8.230 nan 0.000 0.431 303 L N 6.340 127.721 121.223 0.263 0.000 2.410 303 L HA 0.248 4.587 4.340 -0.001 0.000 0.273 303 L C 0.260 177.212 176.870 0.136 0.000 1.144 303 L CA 0.387 55.339 54.840 0.186 0.000 0.863 303 L CB 0.629 42.798 42.059 0.184 0.000 1.140 303 L HN 0.583 nan 8.230 nan 0.000 0.463 304 M N 5.344 125.003 119.600 0.098 0.000 3.596 304 M HA 0.137 4.616 4.480 -0.001 0.000 0.219 304 M C 0.311 176.643 176.300 0.054 0.000 1.471 304 M CA 0.032 55.373 55.300 0.069 0.000 1.644 304 M CB -1.495 31.128 32.600 0.039 0.000 1.083 304 M HN 0.714 nan 8.290 nan 0.000 0.579 305 T N -2.164 112.434 114.554 0.073 0.000 2.923 305 T HA 0.500 4.850 4.350 -0.001 0.000 0.281 305 T C -2.005 172.728 174.700 0.055 0.000 0.995 305 T CA -1.715 60.421 62.100 0.060 0.000 0.985 305 T CB 1.454 70.375 68.868 0.088 0.000 1.114 305 T HN 0.077 nan 8.240 nan 0.000 0.548 306 P HA -0.053 nan 4.420 nan 0.000 0.218 306 P C 1.285 178.615 177.300 0.051 0.000 1.146 306 P CA 1.017 64.141 63.100 0.041 0.000 0.813 306 P CB 0.061 31.781 31.700 0.033 0.000 0.778 307 E N -0.873 119.366 120.200 0.065 0.000 2.204 307 E HA -0.108 4.241 4.350 -0.001 0.000 0.194 307 E C 1.970 178.610 176.600 0.066 0.000 0.989 307 E CA 0.880 57.320 56.400 0.066 0.000 0.824 307 E CB -0.311 29.439 29.700 0.082 0.000 0.756 307 E HN 0.180 nan 8.360 nan 0.000 0.477 308 A N 0.948 123.811 122.820 0.073 0.000 1.929 308 A HA 0.268 4.587 4.320 -0.001 0.000 0.216 308 A C 0.972 178.598 177.584 0.070 0.000 1.176 308 A CA 1.245 53.327 52.037 0.075 0.000 0.628 308 A CB 0.160 19.210 19.000 0.085 0.000 0.816 308 A HN 0.237 nan 8.150 nan 0.000 0.444 309 A N -2.272 120.585 122.820 0.062 0.000 2.550 309 A HA 0.567 4.886 4.320 -0.001 0.000 0.295 309 A C -3.190 174.422 177.584 0.047 0.000 1.001 309 A CA -0.715 51.358 52.037 0.059 0.000 0.660 309 A CB 0.266 19.309 19.000 0.072 0.000 1.308 309 A HN 0.052 nan 8.150 nan 0.000 0.426 310 P HA 0.446 nan 4.420 nan 0.000 0.293 310 P C -0.810 176.511 177.300 0.034 0.000 1.304 310 P CA -0.164 62.960 63.100 0.040 0.000 0.767 310 P CB 0.684 32.411 31.700 0.046 0.000 1.247 311 E N -0.283 119.935 120.200 0.030 0.000 2.197 311 E HA 0.192 4.541 4.350 -0.001 0.000 0.281 311 E C -0.565 176.063 176.600 0.047 0.000 0.995 311 E CA -0.500 55.912 56.400 0.019 0.000 0.808 311 E CB 0.581 30.281 29.700 -0.000 0.000 1.093 311 E HN 0.396 nan 8.360 nan 0.000 0.394 312 D N 1.975 122.405 120.400 0.051 0.000 2.417 312 D HA -0.070 4.569 4.640 -0.001 0.000 0.250 312 D C 0.453 176.808 176.300 0.092 0.000 1.166 312 D CA 0.055 54.115 54.000 0.100 0.000 0.881 312 D CB 0.435 41.304 40.800 0.115 0.000 1.164 312 D HN 0.360 nan 8.370 nan 0.000 0.467 313 F N 4.005 123.926 119.950 -0.049 0.000 2.065 313 F HA -0.187 4.339 4.527 -0.001 0.000 0.298 313 F C 1.327 177.016 175.800 -0.185 0.000 1.112 313 F CA 1.567 59.457 58.000 -0.184 0.000 1.212 313 F CB -0.286 38.482 39.000 -0.386 0.000 0.975 313 F HN 0.480 nan 8.300 nan 0.000 0.476 314 F N 0.415 120.386 119.950 0.036 0.000 2.234 314 F HA -0.040 4.486 4.527 -0.001 0.000 0.299 314 F C 2.542 178.332 175.800 -0.017 0.000 1.087 314 F CA 1.063 59.035 58.000 -0.046 0.000 1.340 314 F CB -1.452 37.621 39.000 0.122 0.000 1.031 314 F HN 0.088 nan 8.300 nan 0.000 0.500 315 A N -0.224 122.729 122.820 0.223 0.000 1.930 315 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 315 A C 2.273 179.977 177.584 0.201 0.000 1.175 315 A CA 1.657 53.883 52.037 0.315 0.000 0.627 315 A CB -0.667 18.486 19.000 0.254 0.000 0.815 315 A HN 0.323 nan 8.150 nan 0.000 0.443 316 K N -0.532 119.861 120.400 -0.010 0.000 2.057 316 K HA -0.162 4.157 4.320 -0.001 0.000 0.207 316 K C 1.861 178.393 176.600 -0.114 0.000 1.049 316 K CA 1.456 57.688 56.287 -0.092 0.000 0.931 316 K CB -0.073 32.330 32.500 -0.162 0.000 0.714 316 K HN 0.384 nan 8.250 nan 0.000 0.440 317 E N 0.200 120.258 120.200 -0.238 0.000 2.072 317 E HA -0.146 4.203 4.350 -0.001 0.000 0.191 317 E C 1.934 178.503 176.600 -0.051 0.000 0.985 317 E CA 1.093 57.367 56.400 -0.210 0.000 0.801 317 E CB -0.192 29.306 29.700 -0.336 0.000 0.750 317 E HN 0.398 nan 8.360 nan 0.000 0.452 318 A N 1.246 124.093 122.820 0.046 0.000 1.933 318 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 318 A C 2.222 179.893 177.584 0.145 0.000 1.175 318 A CA 1.157 53.215 52.037 0.034 0.000 0.628 318 A CB -0.521 18.568 19.000 0.148 0.000 0.814 318 A HN 0.226 nan 8.150 nan 0.000 0.444 319 L N -0.308 121.107 121.223 0.320 0.000 2.093 319 L HA -0.031 4.308 4.340 -0.001 0.000 0.208 319 L C 2.190 179.169 176.870 0.182 0.000 1.085 319 L CA 1.432 56.444 54.840 0.286 0.000 0.755 319 L CB -0.479 41.594 42.059 0.023 0.000 0.904 319 L HN 0.402 nan 8.230 nan 0.000 0.435 320 L N -0.925 120.349 121.223 0.084 0.000 2.131 320 L HA -0.159 4.180 4.340 -0.001 0.000 0.210 320 L C 2.604 179.502 176.870 0.048 0.000 1.092 320 L CA 0.981 55.857 54.840 0.061 0.000 0.759 320 L CB -0.866 41.192 42.059 -0.001 0.000 0.903 320 L HN 0.353 nan 8.230 nan 0.000 0.435 321 A N -0.657 122.147 122.820 -0.025 0.000 1.873 321 A HA -0.222 4.097 4.320 -0.001 0.000 0.215 321 A C 2.023 179.557 177.584 -0.083 0.000 1.186 321 A CA 1.350 53.314 52.037 -0.122 0.000 0.616 321 A CB -0.765 18.059 19.000 -0.293 0.000 0.823 321 A HN 0.325 nan 8.150 nan 0.000 0.442 322 Y N -0.083 120.211 120.300 -0.010 0.000 2.293 322 Y HA -0.029 4.520 4.550 -0.001 0.000 0.291 322 Y C 2.810 178.910 175.900 0.334 0.000 1.137 322 Y CA 0.594 58.718 58.100 0.040 0.000 1.202 322 Y CB -0.493 37.908 38.460 -0.098 0.000 0.990 322 Y HN 0.329 nan 8.280 nan 0.000 0.537 323 A N -0.406 122.687 122.820 0.454 0.000 2.066 323 A HA -0.158 4.161 4.320 -0.001 0.000 0.218 323 A C 2.112 179.775 177.584 0.131 0.000 1.157 323 A CA 0.829 53.046 52.037 0.299 0.000 0.670 323 A CB -0.355 18.796 19.000 0.251 0.000 0.804 323 A HN 0.318 nan 8.150 nan 0.000 0.453 324 Q N 0.086 119.956 119.800 0.117 0.000 2.047 324 Q HA -0.200 4.139 4.340 -0.001 0.000 0.211 324 Q C -0.312 175.702 176.000 0.024 0.000 1.005 324 Q CA 2.374 58.208 55.803 0.052 0.000 0.866 324 Q CB -1.861 26.898 28.738 0.036 0.000 0.938 324 Q HN 0.646 nan 8.270 nan 0.000 0.414 325 P HA -0.029 nan 4.420 nan 0.000 0.233 325 P C 1.039 178.289 177.300 -0.082 0.000 1.167 325 P CA 1.194 64.276 63.100 -0.031 0.000 0.770 325 P CB 0.076 31.748 31.700 -0.047 0.000 0.837 326 V N -5.894 113.966 119.914 -0.090 0.000 3.380 326 V HA 0.253 4.372 4.120 -0.001 0.000 0.307 326 V C 2.053 178.071 176.094 -0.127 0.000 1.434 326 V CA -0.021 62.187 62.300 -0.154 0.000 1.075 326 V CB -0.286 31.382 31.823 -0.259 0.000 0.954 326 V HN -0.169 nan 8.190 nan 0.000 0.444 327 M N 2.898 122.454 119.600 -0.073 0.000 2.108 327 M HA 0.045 4.524 4.480 -0.001 0.000 0.261 327 M C 2.141 178.411 176.300 -0.050 0.000 1.066 327 M CA 2.565 57.834 55.300 -0.051 0.000 1.107 327 M CB -0.821 31.768 32.600 -0.018 0.000 1.356 327 M HN 0.450 nan 8.290 nan 0.000 0.406 328 A N -0.057 122.735 122.820 -0.047 0.000 1.908 328 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 328 A C 2.210 179.769 177.584 -0.040 0.000 1.181 328 A CA 1.961 53.975 52.037 -0.038 0.000 0.627 328 A CB -1.188 17.791 19.000 -0.035 0.000 0.818 328 A HN 0.599 nan 8.150 nan 0.000 0.445 329 L N -1.326 119.865 121.223 -0.054 0.000 2.141 329 L HA -0.164 4.175 4.340 -0.001 0.000 0.209 329 L C 2.692 179.539 176.870 -0.039 0.000 1.094 329 L CA 1.327 56.143 54.840 -0.040 0.000 0.763 329 L CB -0.504 41.519 42.059 -0.061 0.000 0.908 329 L HN 0.426 nan 8.230 nan 0.000 0.437 330 M N -1.027 118.533 119.600 -0.067 0.000 2.476 330 M HA -0.157 4.322 4.480 -0.001 0.000 0.262 330 M C 1.648 177.923 176.300 -0.041 0.000 1.079 330 M CA 1.420 56.681 55.300 -0.065 0.000 1.104 330 M CB -0.084 32.462 32.600 -0.089 0.000 1.409 330 M HN 0.302 nan 8.290 nan 0.000 0.467 331 Q N -0.659 119.120 119.800 -0.035 0.000 2.281 331 Q HA 0.106 4.446 4.340 -0.001 0.000 0.215 331 Q C 0.500 176.485 176.000 -0.026 0.000 0.867 331 Q CA -0.103 55.684 55.803 -0.027 0.000 0.940 331 Q CB 0.500 29.224 28.738 -0.023 0.000 1.111 331 Q HN 0.435 nan 8.270 nan 0.000 0.513 332 Q N 1.949 121.734 119.800 -0.025 0.000 2.348 332 Q HA 0.165 4.505 4.340 -0.001 0.000 0.251 332 Q C -1.036 174.945 176.000 -0.032 0.000 1.113 332 Q CA -0.201 55.587 55.803 -0.025 0.000 0.902 332 Q CB 0.652 29.379 28.738 -0.018 0.000 1.333 332 Q HN 0.005 nan 8.270 nan 0.000 0.457 333 V N 7.136 127.028 119.914 -0.036 0.000 2.488 333 V HA 0.056 4.175 4.120 -0.001 0.000 0.277 333 V C 1.040 177.099 176.094 -0.057 0.000 1.046 333 V CA 0.194 62.466 62.300 -0.046 0.000 0.986 333 V CB 0.824 32.622 31.823 -0.042 0.000 0.989 333 V HN 0.810 nan 8.190 nan 0.000 0.475 334 I N 1.835 122.358 120.570 -0.078 0.000 4.227 334 I HA 0.790 4.959 4.170 -0.001 0.000 0.334 334 I C 0.548 176.591 176.117 -0.123 0.000 1.341 334 I CA 0.166 61.409 61.300 -0.096 0.000 1.123 334 I CB 0.469 38.402 38.000 -0.112 0.000 1.097 334 I HN 0.575 nan 8.210 nan 0.000 0.399 335 A N 1.100 123.848 122.820 -0.120 0.000 2.483 335 A HA 0.641 4.960 4.320 -0.001 0.000 0.294 335 A C -1.646 175.875 177.584 -0.104 0.000 1.077 335 A CA -0.560 51.398 52.037 -0.132 0.000 0.633 335 A CB 1.046 19.932 19.000 -0.190 0.000 1.318 335 A HN 0.277 nan 8.150 nan 0.000 0.455 336 E N 0.074 120.214 120.200 -0.100 0.000 2.256 336 E HA 0.642 4.992 4.350 -0.001 0.000 0.268 336 E C -0.656 175.902 176.600 -0.070 0.000 0.877 336 E CA -0.642 55.714 56.400 -0.073 0.000 0.757 336 E CB 1.936 31.600 29.700 -0.060 0.000 1.183 336 E HN 1.308 nan 8.360 nan 0.000 0.418 337 A N 4.544 127.335 122.820 -0.049 0.000 2.269 337 A HA 0.266 4.586 4.320 -0.001 0.000 0.302 337 A C 0.511 178.081 177.584 -0.024 0.000 1.266 337 A CA -0.542 51.475 52.037 -0.033 0.000 0.894 337 A CB 0.660 19.653 19.000 -0.011 0.000 1.147 337 A HN 0.598 nan 8.150 nan 0.000 0.537 338 K N 1.068 121.452 120.400 -0.025 0.000 2.365 338 K HA 0.071 4.390 4.320 -0.001 0.000 0.197 338 K C 0.641 177.236 176.600 -0.008 0.000 1.042 338 K CA 1.153 57.428 56.287 -0.019 0.000 0.987 338 K CB -0.282 32.204 32.500 -0.023 0.000 0.779 338 K HN 0.829 nan 8.250 nan 0.000 0.484 339 V N -1.986 117.927 119.914 -0.001 0.000 3.130 339 V HA 0.424 4.543 4.120 -0.001 0.000 0.310 339 V C -0.951 175.153 176.094 0.016 0.000 1.158 339 V CA -1.394 60.910 62.300 0.008 0.000 1.029 339 V CB 2.194 34.024 31.823 0.011 0.000 1.057 339 V HN -0.141 nan 8.190 nan 0.000 0.436 340 D N 2.282 122.694 120.400 0.020 0.000 2.417 340 D HA 0.369 5.008 4.640 -0.001 0.000 0.250 340 D C -0.338 175.984 176.300 0.037 0.000 1.166 340 D CA 0.532 54.549 54.000 0.028 0.000 0.881 340 D CB 1.436 42.251 40.800 0.026 0.000 1.164 340 D HN 0.532 nan 8.370 nan 0.000 0.467 341 L N 2.726 123.978 121.223 0.049 0.000 2.270 341 L HA 0.190 4.529 4.340 -0.001 0.000 0.286 341 L C -0.043 176.863 176.870 0.060 0.000 1.059 341 L CA -0.888 53.990 54.840 0.064 0.000 0.839 341 L CB 1.166 43.280 42.059 0.092 0.000 1.221 341 L HN 0.013 nan 8.230 nan 0.000 0.431 342 V N 2.981 122.925 119.914 0.050 0.000 2.446 342 V HA 0.121 4.240 4.120 -0.001 0.000 0.276 342 V C 1.169 177.287 176.094 0.040 0.000 1.030 342 V CA 0.450 62.774 62.300 0.041 0.000 1.033 342 V CB 0.762 32.604 31.823 0.032 0.000 0.993 342 V HN 0.976 nan 8.190 nan 0.000 0.477 343 G N 3.453 112.278 108.800 0.041 0.000 3.596 343 G HA2 0.157 4.116 3.960 -0.001 0.000 0.274 343 G HA3 0.157 4.116 3.960 -0.001 0.000 0.274 343 G C 0.216 175.127 174.900 0.018 0.000 1.007 343 G CA -0.308 44.815 45.100 0.038 0.000 0.825 343 G HN 0.583 nan 8.290 nan 0.000 0.508 344 E N 1.018 121.217 120.200 -0.001 0.000 2.414 344 E HA 0.015 4.364 4.350 -0.001 0.000 0.263 344 E C 1.546 178.108 176.600 -0.064 0.000 1.000 344 E CA -0.215 56.163 56.400 -0.038 0.000 0.914 344 E CB 1.020 30.701 29.700 -0.032 0.000 0.948 344 E HN 0.597 nan 8.360 nan 0.000 0.444 345 R N 2.307 122.746 120.500 -0.102 0.000 2.127 345 R HA -0.121 4.218 4.340 -0.001 0.000 0.238 345 R C 1.670 177.874 176.300 -0.160 0.000 1.134 345 R CA 1.637 57.658 56.100 -0.132 0.000 0.975 345 R CB -0.391 29.794 30.300 -0.191 0.000 0.865 345 R HN 0.394 nan 8.270 nan 0.000 0.447 346 A N 0.860 123.590 122.820 -0.151 0.000 2.121 346 A HA 0.023 4.343 4.320 -0.001 0.000 0.218 346 A C 2.034 179.507 177.584 -0.184 0.000 1.154 346 A CA 1.199 53.123 52.037 -0.188 0.000 0.679 346 A CB -0.038 18.877 19.000 -0.142 0.000 0.795 346 A HN 0.228 nan 8.150 nan 0.000 0.458 347 V N -0.693 119.145 119.914 -0.128 0.000 2.599 347 V HA -0.095 4.025 4.120 -0.001 0.000 0.237 347 V C 2.516 178.548 176.094 -0.104 0.000 1.081 347 V CA 1.282 63.527 62.300 -0.092 0.000 1.107 347 V CB -0.363 31.439 31.823 -0.034 0.000 0.808 347 V HN 0.469 nan 8.190 nan 0.000 0.486 348 V N -0.590 119.290 119.914 -0.057 0.000 2.867 348 V HA -0.098 4.021 4.120 -0.001 0.000 0.260 348 V C 1.923 178.013 176.094 -0.007 0.000 1.099 348 V CA 1.730 64.038 62.300 0.012 0.000 1.122 348 V CB -0.974 30.873 31.823 0.041 0.000 0.708 348 V HN 0.488 nan 8.190 nan 0.000 0.490 349 R N -0.392 119.994 120.500 -0.190 0.000 2.393 349 R HA 0.384 4.723 4.340 -0.001 0.000 0.244 349 R C 1.730 177.505 176.300 -0.875 0.000 0.920 349 R CA 0.061 55.996 56.100 -0.275 0.000 1.076 349 R CB 0.255 30.444 30.300 -0.185 0.000 1.119 349 R HN 0.479 nan 8.270 nan 0.000 0.524 350 R N 0.009 119.897 120.500 -1.021 0.000 2.612 350 R HA 0.158 4.498 4.340 -0.001 0.000 0.260 350 R C 0.283 176.348 176.300 -0.391 0.000 0.943 350 R CA 0.085 55.644 56.100 -0.902 0.000 1.036 350 R CB 0.991 30.918 30.300 -0.623 0.000 1.520 350 R HN 0.053 nan 8.270 nan 0.000 0.563 351 R N 0.066 120.374 120.500 -0.320 0.000 2.762 351 R HA 0.265 4.604 4.340 -0.001 0.000 0.271 351 R C -1.313 175.132 176.300 0.241 0.000 1.038 351 R CA -0.857 55.343 56.100 0.167 0.000 0.906 351 R CB 0.786 31.169 30.300 0.139 0.000 1.259 351 R HN -0.115 nan 8.270 nan 0.000 0.457 352 E N 1.283 121.615 120.200 0.220 0.000 2.414 352 E HA 0.055 4.404 4.350 -0.001 0.000 0.263 352 E C -1.090 175.584 176.600 0.125 0.000 1.000 352 E CA 0.164 56.670 56.400 0.177 0.000 0.914 352 E CB 0.753 30.516 29.700 0.106 0.000 0.948 352 E HN 0.471 nan 8.360 nan 0.000 0.444 353 S N 2.986 118.762 115.700 0.125 0.000 2.521 353 S HA 0.158 4.627 4.470 -0.001 0.000 0.295 353 S C 0.753 175.401 174.600 0.079 0.000 1.098 353 S CA -0.696 57.557 58.200 0.087 0.000 0.999 353 S CB 1.013 64.264 63.200 0.084 0.000 1.034 353 S HN 0.710 nan 8.310 nan 0.000 0.483 354 N N 4.363 123.103 118.700 0.066 0.000 2.309 354 N HA -0.111 4.628 4.740 -0.001 0.000 0.182 354 N C 1.501 177.056 175.510 0.074 0.000 1.018 354 N CA 0.991 54.081 53.050 0.068 0.000 0.876 354 N CB -0.649 37.874 38.487 0.059 0.000 0.972 354 N HN 0.542 nan 8.380 nan 0.000 0.434 355 L N 0.941 122.202 121.223 0.065 0.000 2.109 355 L HA 0.230 4.570 4.340 -0.001 0.000 0.207 355 L C 2.294 179.173 176.870 0.015 0.000 1.086 355 L CA 1.730 56.603 54.840 0.056 0.000 0.760 355 L CB -1.142 40.944 42.059 0.046 0.000 0.910 355 L HN 0.230 nan 8.230 nan 0.000 0.437 356 G N -0.535 108.285 108.800 0.033 0.000 2.418 356 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.217 356 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.217 356 G C 1.411 176.334 174.900 0.037 0.000 1.158 356 G CA 0.824 45.943 45.100 0.031 0.000 0.771 356 G HN 0.453 nan 8.290 nan 0.000 0.545 357 N N 0.166 118.906 118.700 0.067 0.000 2.166 357 N HA -0.066 4.673 4.740 -0.001 0.000 0.186 357 N C 2.015 177.576 175.510 0.085 0.000 1.019 357 N CA 0.728 53.825 53.050 0.078 0.000 0.856 357 N CB -0.420 38.120 38.487 0.089 0.000 0.993 357 N HN 0.284 nan 8.380 nan 0.000 0.426 358 L N 1.129 122.417 121.223 0.108 0.000 2.027 358 L HA 0.044 4.383 4.340 -0.001 0.000 0.206 358 L C 1.963 178.937 176.870 0.173 0.000 1.074 358 L CA 1.189 56.153 54.840 0.206 0.000 0.745 358 L CB -0.437 41.780 42.059 0.264 0.000 0.898 358 L HN 0.081 nan 8.230 nan 0.000 0.433 359 I N -0.767 119.777 120.570 -0.043 0.000 2.179 359 I HA -0.312 3.858 4.170 -0.001 0.000 0.242 359 I C 2.376 178.432 176.117 -0.103 0.000 1.088 359 I CA 1.776 62.931 61.300 -0.241 0.000 1.357 359 I CB -0.793 36.935 38.000 -0.453 0.000 1.051 359 I HN 0.454 nan 8.210 nan 0.000 0.409 360 T N -2.243 112.276 114.554 -0.057 0.000 2.867 360 T HA -0.161 4.189 4.350 -0.001 0.000 0.268 360 T C 1.518 176.187 174.700 -0.051 0.000 1.057 360 T CA 1.315 63.392 62.100 -0.038 0.000 1.136 360 T CB -0.425 68.441 68.868 -0.003 0.000 0.874 360 T HN 0.190 nan 8.240 nan 0.000 0.466 361 D N 1.819 122.191 120.400 -0.048 0.000 2.117 361 D HA 0.020 4.660 4.640 -0.001 0.000 0.197 361 D C 2.446 178.510 176.300 -0.393 0.000 0.987 361 D CA 1.405 55.341 54.000 -0.106 0.000 0.829 361 D CB -0.975 39.837 40.800 0.020 0.000 0.961 361 D HN 0.566 nan 8.370 nan 0.000 0.460 362 G N 0.343 108.814 108.800 -0.547 0.000 2.422 362 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.218 362 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.218 362 G C 1.655 176.446 174.900 -0.181 0.000 1.146 362 G CA 0.593 45.256 45.100 -0.729 0.000 0.769 362 G HN 0.213 nan 8.290 nan 0.000 0.547 363 M N -0.170 119.373 119.600 -0.096 0.000 2.117 363 M HA 0.087 4.566 4.480 -0.001 0.000 0.262 363 M C 2.523 178.804 176.300 -0.032 0.000 1.065 363 M CA 1.058 56.337 55.300 -0.036 0.000 1.114 363 M CB -0.333 32.252 32.600 -0.025 0.000 1.361 363 M HN 0.128 nan 8.290 nan 0.000 0.408 364 L N -1.632 119.571 121.223 -0.034 0.000 2.056 364 L HA -0.200 4.139 4.340 -0.001 0.000 0.207 364 L C 2.396 179.266 176.870 0.001 0.000 1.078 364 L CA 1.245 56.080 54.840 -0.008 0.000 0.749 364 L CB -0.592 41.471 42.059 0.006 0.000 0.901 364 L HN 0.489 nan 8.230 nan 0.000 0.433 365 W N 1.558 122.732 121.300 -0.211 0.000 2.355 365 W HA -0.286 4.373 4.660 -0.001 0.000 0.309 365 W C 2.600 179.034 176.519 -0.142 0.000 1.206 365 W CA 1.825 59.065 57.345 -0.175 0.000 1.284 365 W CB 0.011 29.290 29.460 -0.302 0.000 1.145 365 W HN -0.112 nan 8.180 nan 0.000 0.502 366 K N -0.033 120.282 120.400 -0.141 0.000 2.147 366 K HA -0.117 4.202 4.320 -0.001 0.000 0.205 366 K C 1.740 178.074 176.600 -0.442 0.000 1.049 366 K CA 2.071 58.075 56.287 -0.471 0.000 0.936 366 K CB -0.689 31.586 32.500 -0.375 0.000 0.722 366 K HN 0.223 nan 8.250 nan 0.000 0.446 367 T N -1.644 112.787 114.554 -0.205 0.000 3.223 367 T HA 0.139 4.488 4.350 -0.001 0.000 0.259 367 T C 1.088 175.752 174.700 -0.059 0.000 1.015 367 T CA -0.454 61.615 62.100 -0.052 0.000 0.908 367 T CB -0.177 68.723 68.868 0.053 0.000 1.054 367 T HN 0.308 nan 8.240 nan 0.000 0.567 368 R N 2.053 122.465 120.500 -0.147 0.000 2.193 368 R HA -0.120 4.219 4.340 -0.001 0.000 0.229 368 R C 1.373 177.629 176.300 -0.073 0.000 1.110 368 R CA 1.793 57.831 56.100 -0.105 0.000 0.988 368 R CB -0.945 29.265 30.300 -0.151 0.000 0.871 368 R HN 0.542 nan 8.270 nan 0.000 0.458 369 N N 1.305 119.958 118.700 -0.078 0.000 2.494 369 N HA -0.015 4.724 4.740 -0.001 0.000 0.182 369 N C 1.281 176.790 175.510 -0.001 0.000 1.076 369 N CA 0.982 54.010 53.050 -0.038 0.000 0.908 369 N CB 0.157 38.625 38.487 -0.032 0.000 0.967 369 N HN 0.343 nan 8.380 nan 0.000 0.449 370 A N -0.224 122.607 122.820 0.019 0.000 2.308 370 A HA 0.584 4.904 4.320 -0.001 0.000 0.217 370 A C 1.546 179.145 177.584 0.025 0.000 1.216 370 A CA 0.095 52.159 52.037 0.045 0.000 0.864 370 A CB -0.601 18.460 19.000 0.102 0.000 0.902 370 A HN 0.431 nan 8.150 nan 0.000 0.499 371 G N 0.627 109.431 108.800 0.008 0.000 2.176 371 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.252 371 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.252 371 G C 0.384 175.299 174.900 0.025 0.000 1.024 371 G CA 0.603 45.706 45.100 0.005 0.000 0.755 371 G HN 1.387 nan 8.290 nan 0.000 0.507 372 T N -2.810 111.764 114.554 0.035 0.000 2.930 372 T HA 0.494 4.844 4.350 -0.001 0.000 0.306 372 T C 0.920 175.647 174.700 0.045 0.000 1.045 372 T CA 0.665 62.794 62.100 0.049 0.000 1.134 372 T CB 2.032 70.927 68.868 0.045 0.000 0.961 372 T HN 0.523 nan 8.240 nan 0.000 0.545 373 Q N 1.511 121.348 119.800 0.062 0.000 2.369 373 Q HA 0.359 4.698 4.340 -0.001 0.000 0.254 373 Q C -0.171 175.858 176.000 0.049 0.000 0.858 373 Q CA -0.004 55.837 55.803 0.064 0.000 0.961 373 Q CB 0.533 29.335 28.738 0.107 0.000 1.119 373 Q HN 0.836 nan 8.270 nan 0.000 0.538 374 I N 1.053 121.646 120.570 0.039 0.000 2.647 374 I HA 0.609 4.778 4.170 -0.001 0.000 0.295 374 I C -1.159 174.959 176.117 0.001 0.000 1.078 374 I CA -1.167 60.139 61.300 0.010 0.000 1.048 374 I CB 2.306 40.291 38.000 -0.025 0.000 1.239 374 I HN 0.043 nan 8.210 nan 0.000 0.421 375 A N 7.001 129.817 122.820 -0.007 0.000 2.355 375 A HA 0.926 5.245 4.320 -0.001 0.000 0.317 375 A C -1.166 176.395 177.584 -0.038 0.000 1.094 375 A CA -0.464 51.561 52.037 -0.020 0.000 0.764 375 A CB 1.133 20.125 19.000 -0.014 0.000 1.230 375 A HN 0.645 nan 8.150 nan 0.000 0.448 376 L N 1.418 122.600 121.223 -0.069 0.000 2.386 376 L HA 0.714 5.054 4.340 -0.001 0.000 0.271 376 L C -0.567 176.240 176.870 -0.105 0.000 0.993 376 L CA -0.767 54.011 54.840 -0.105 0.000 0.819 376 L CB 2.193 44.147 42.059 -0.176 0.000 1.294 376 L HN 0.762 nan 8.230 nan 0.000 0.414 377 Q N 3.355 123.110 119.800 -0.076 0.000 2.263 377 Q HA 0.287 4.626 4.340 -0.001 0.000 0.266 377 Q C -1.212 174.787 176.000 -0.002 0.000 1.002 377 Q CA -0.674 55.101 55.803 -0.046 0.000 0.790 377 Q CB 1.513 30.236 28.738 -0.025 0.000 1.272 377 Q HN 0.608 nan 8.270 nan 0.000 0.435 378 N N 2.023 120.730 118.700 0.012 0.000 2.483 378 N HA 0.088 4.827 4.740 -0.001 0.000 0.264 378 N C 0.781 176.376 175.510 0.143 0.000 1.197 378 N CA 0.647 53.766 53.050 0.115 0.000 0.927 378 N CB 1.280 39.877 38.487 0.183 0.000 1.065 378 N HN 0.827 nan 8.380 nan 0.000 0.461 379 G N 1.516 110.442 108.800 0.210 0.000 2.448 379 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.219 379 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.219 379 G C 1.341 176.318 174.900 0.129 0.000 1.127 379 G CA 0.707 45.918 45.100 0.184 0.000 0.766 379 G HN 0.712 nan 8.290 nan 0.000 0.552 380 G N 0.420 109.302 108.800 0.138 0.000 2.509 380 G HA2 0.143 4.102 3.960 -0.001 0.000 0.218 380 G HA3 0.143 4.102 3.960 -0.001 0.000 0.218 380 G C 1.490 176.499 174.900 0.182 0.000 1.124 380 G CA 1.050 46.224 45.100 0.124 0.000 0.776 380 G HN 0.549 nan 8.290 nan 0.000 0.547 381 G N -0.072 108.829 108.800 0.169 0.000 2.985 381 G HA2 0.272 4.231 3.960 -0.001 0.000 0.209 381 G HA3 0.272 4.231 3.960 -0.001 0.000 0.209 381 G C 0.438 175.470 174.900 0.220 0.000 1.165 381 G CA -0.311 44.949 45.100 0.266 0.000 0.776 381 G HN 0.389 nan 8.290 nan 0.000 0.541 382 I N 1.391 122.036 120.570 0.124 0.000 2.337 382 I HA 0.317 4.486 4.170 -0.001 0.000 0.285 382 I C 0.616 176.771 176.117 0.062 0.000 1.041 382 I CA -0.773 60.560 61.300 0.056 0.000 1.199 382 I CB 1.635 39.648 38.000 0.023 0.000 1.370 382 I HN -0.079 nan 8.210 nan 0.000 0.470 383 R N 4.214 124.746 120.500 0.053 0.000 2.334 383 R HA 0.503 4.843 4.340 -0.001 0.000 0.216 383 R C 0.184 176.596 176.300 0.186 0.000 0.905 383 R CA -0.004 56.139 56.100 0.072 0.000 1.064 383 R CB 0.355 30.642 30.300 -0.022 0.000 1.046 383 R HN 0.639 nan 8.270 nan 0.000 0.508 384 A N -0.120 122.792 122.820 0.154 0.000 2.599 384 A HA 0.625 4.945 4.320 -0.001 0.000 0.290 384 A C -0.840 176.832 177.584 0.146 0.000 1.101 384 A CA -0.501 51.680 52.037 0.240 0.000 0.674 384 A CB 1.336 20.477 19.000 0.235 0.000 1.277 384 A HN 0.031 nan 8.150 nan 0.000 0.419 385 S N -0.489 115.302 115.700 0.152 0.000 2.687 385 S HA 0.715 5.184 4.470 -0.001 0.000 0.283 385 S C -0.453 174.208 174.600 0.102 0.000 1.170 385 S CA -0.314 57.948 58.200 0.103 0.000 1.008 385 S CB 0.749 63.998 63.200 0.082 0.000 1.026 385 S HN 0.469 nan 8.310 nan 0.000 0.541 386 I N 2.937 123.560 120.570 0.087 0.000 2.464 386 I HA 0.299 4.468 4.170 -0.001 0.000 0.277 386 I C -2.567 173.583 176.117 0.054 0.000 1.040 386 I CA -2.225 59.120 61.300 0.075 0.000 1.153 386 I CB 1.512 39.567 38.000 0.091 0.000 1.274 386 I HN 0.284 nan 8.210 nan 0.000 0.469 387 P HA 0.004 nan 4.420 nan 0.000 0.270 387 P C -0.374 176.938 177.300 0.020 0.000 1.223 387 P CA -0.445 62.674 63.100 0.032 0.000 0.785 387 P CB 0.578 32.296 31.700 0.031 0.000 0.923 388 K N 1.501 121.910 120.400 0.014 0.000 2.484 388 K HA 0.352 4.671 4.320 -0.001 0.000 0.280 388 K C 0.436 177.035 176.600 -0.001 0.000 1.013 388 K CA 0.833 57.123 56.287 0.005 0.000 1.029 388 K CB -0.631 31.871 32.500 0.003 0.000 0.902 388 K HN 0.771 nan 8.250 nan 0.000 0.481 389 G N 3.616 112.410 108.800 -0.009 0.000 2.302 389 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.276 389 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.276 389 G C -3.074 171.813 174.900 -0.022 0.000 1.316 389 G CA -0.931 44.161 45.100 -0.014 0.000 0.988 389 G HN 0.526 nan 8.290 nan 0.000 0.479 390 P HA 0.431 nan 4.420 nan 0.000 0.268 390 P C -0.410 176.869 177.300 -0.036 0.000 1.205 390 P CA 0.174 63.253 63.100 -0.034 0.000 0.771 390 P CB 0.788 32.470 31.700 -0.030 0.000 0.858 391 I N 2.563 123.101 120.570 -0.054 0.000 2.355 391 I HA 0.227 4.396 4.170 -0.001 0.000 0.288 391 I C 1.141 177.218 176.117 -0.067 0.000 0.999 391 I CA -0.465 60.797 61.300 -0.062 0.000 1.163 391 I CB 1.625 39.565 38.000 -0.100 0.000 1.316 391 I HN 0.333 nan 8.210 nan 0.000 0.454 392 T N 1.850 116.375 114.554 -0.048 0.000 2.944 392 T HA 0.353 4.702 4.350 -0.001 0.000 0.284 392 T C 1.123 175.802 174.700 -0.036 0.000 1.010 392 T CA -0.766 61.310 62.100 -0.041 0.000 1.025 392 T CB 2.146 70.996 68.868 -0.029 0.000 1.079 392 T HN 0.203 nan 8.240 nan 0.000 0.516 393 V N 1.778 121.683 119.914 -0.014 0.000 2.407 393 V HA -0.012 4.107 4.120 -0.001 0.000 0.248 393 V C 2.880 179.037 176.094 0.106 0.000 1.055 393 V CA 2.353 64.672 62.300 0.033 0.000 1.049 393 V CB -1.497 30.375 31.823 0.082 0.000 0.662 393 V HN 1.119 nan 8.190 nan 0.000 0.455 394 G N 0.237 109.068 108.800 0.052 0.000 2.440 394 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.218 394 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.218 394 G C 1.578 176.488 174.900 0.017 0.000 1.154 394 G CA 1.279 46.395 45.100 0.026 0.000 0.767 394 G HN 0.503 nan 8.290 nan 0.000 0.552 395 K N 0.538 120.935 120.400 -0.005 0.000 2.097 395 K HA 0.026 4.345 4.320 -0.001 0.000 0.205 395 K C 2.414 179.020 176.600 0.011 0.000 1.050 395 K CA 1.263 57.546 56.287 -0.007 0.000 0.938 395 K CB -0.715 31.783 32.500 -0.003 0.000 0.718 395 K HN 0.166 nan 8.250 nan 0.000 0.442 396 V N 0.463 120.372 119.914 -0.008 0.000 2.343 396 V HA -0.238 3.882 4.120 -0.001 0.000 0.247 396 V C 1.840 177.875 176.094 -0.099 0.000 1.051 396 V CA 1.855 64.138 62.300 -0.030 0.000 1.036 396 V CB -0.650 31.083 31.823 -0.149 0.000 0.654 396 V HN 0.300 nan 8.190 nan 0.000 0.451 397 Y N 0.133 120.424 120.300 -0.016 0.000 2.439 397 Y HA -0.133 4.417 4.550 -0.001 0.000 0.292 397 Y C 2.583 178.417 175.900 -0.110 0.000 1.130 397 Y CA 1.512 59.579 58.100 -0.055 0.000 1.254 397 Y CB 0.036 38.446 38.460 -0.084 0.000 1.000 397 Y HN 0.334 nan 8.280 nan 0.000 0.554 398 E N -0.167 120.033 120.200 -0.000 0.000 2.112 398 E HA -0.124 4.225 4.350 -0.001 0.000 0.190 398 E C 1.947 178.505 176.600 -0.070 0.000 0.979 398 E CA 1.060 57.395 56.400 -0.108 0.000 0.814 398 E CB 0.054 29.662 29.700 -0.153 0.000 0.762 398 E HN 0.266 nan 8.360 nan 0.000 0.460 399 V N 1.119 121.025 119.914 -0.013 0.000 2.323 399 V HA -0.104 4.016 4.120 -0.001 0.000 0.244 399 V C 1.355 177.433 176.094 -0.027 0.000 1.041 399 V CA 1.110 63.415 62.300 0.009 0.000 1.025 399 V CB -0.091 31.768 31.823 0.060 0.000 0.656 399 V HN 0.226 nan 8.190 nan 0.000 0.451 400 L N 1.917 123.119 121.223 -0.034 0.000 2.445 400 L HA 0.318 4.657 4.340 -0.001 0.000 0.252 400 L C -1.807 175.046 176.870 -0.029 0.000 1.105 400 L CA -0.917 53.911 54.840 -0.020 0.000 0.943 400 L CB 1.810 43.865 42.059 -0.006 0.000 1.277 400 L HN 0.129 nan 8.230 nan 0.000 0.465 401 P HA 0.001 nan 4.420 nan 0.000 0.239 401 P C 1.300 178.512 177.300 -0.146 0.000 1.188 401 P CA 0.532 63.521 63.100 -0.184 0.000 0.794 401 P CB 0.294 31.757 31.700 -0.395 0.000 0.937 402 F N 1.318 121.328 119.950 0.099 0.000 2.293 402 F HA 0.176 4.702 4.527 -0.001 0.000 0.300 402 F C 1.988 177.859 175.800 0.118 0.000 1.086 402 F CA 1.487 59.543 58.000 0.094 0.000 1.375 402 F CB -1.474 37.542 39.000 0.027 0.000 1.045 402 F HN 0.068 nan 8.300 nan 0.000 0.516 403 G N 0.570 109.542 108.800 0.286 0.000 2.176 403 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.252 403 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.252 403 G C 0.093 175.120 174.900 0.212 0.000 1.024 403 G CA -0.085 45.155 45.100 0.234 0.000 0.755 403 G HN 0.298 nan 8.290 nan 0.000 0.507 404 N N 0.623 119.458 118.700 0.225 0.000 2.399 404 N HA 0.494 5.234 4.740 -0.001 0.000 0.250 404 N C 0.861 176.465 175.510 0.156 0.000 1.272 404 N CA 0.952 54.110 53.050 0.181 0.000 0.928 404 N CB 0.805 39.394 38.487 0.169 0.000 1.158 404 N HN 0.614 nan 8.380 nan 0.000 0.463 405 T N -2.245 112.389 114.554 0.133 0.000 2.950 405 T HA 0.577 4.926 4.350 -0.001 0.000 0.288 405 T C 0.279 175.051 174.700 0.120 0.000 1.035 405 T CA -0.932 61.246 62.100 0.130 0.000 1.028 405 T CB 0.783 69.708 68.868 0.096 0.000 1.109 405 T HN 0.196 nan 8.240 nan 0.000 0.514 406 L N 1.799 123.118 121.223 0.160 0.000 2.305 406 L HA 0.549 4.888 4.340 -0.001 0.000 0.281 406 L C -0.516 176.414 176.870 0.099 0.000 1.085 406 L CA -1.001 53.926 54.840 0.145 0.000 0.813 406 L CB 1.210 43.404 42.059 0.226 0.000 1.157 406 L HN 0.454 nan 8.230 nan 0.000 0.436 407 V N 4.334 124.278 119.914 0.049 0.000 2.495 407 V HA 0.361 4.481 4.120 -0.001 0.000 0.298 407 V C 0.051 176.150 176.094 0.009 0.000 1.031 407 V CA -0.663 61.640 62.300 0.005 0.000 0.871 407 V CB 2.265 34.072 31.823 -0.027 0.000 0.988 407 V HN 0.406 nan 8.190 nan 0.000 0.432 408 V N 6.866 126.781 119.914 0.001 0.000 2.394 408 V HA 0.641 4.760 4.120 -0.001 0.000 0.282 408 V C 0.014 176.104 176.094 -0.008 0.000 1.031 408 V CA -0.256 62.071 62.300 0.044 0.000 0.881 408 V CB 1.268 33.167 31.823 0.127 0.000 0.982 408 V HN 0.955 nan 8.190 nan 0.000 0.451 409 M N 2.239 121.867 119.600 0.047 0.000 2.520 409 M HA 0.694 5.173 4.480 -0.001 0.000 0.283 409 M C -1.906 174.470 176.300 0.126 0.000 1.237 409 M CA -0.785 54.542 55.300 0.045 0.000 0.885 409 M CB 2.645 35.230 32.600 -0.025 0.000 1.727 409 M HN 0.268 nan 8.290 nan 0.000 0.468 410 D N 3.092 123.588 120.400 0.161 0.000 2.249 410 D HA 0.688 5.327 4.640 -0.001 0.000 0.246 410 D C -0.964 175.393 176.300 0.094 0.000 1.114 410 D CA 0.044 54.126 54.000 0.138 0.000 0.854 410 D CB 1.777 42.663 40.800 0.142 0.000 1.132 410 D HN 0.539 nan 8.370 nan 0.000 0.461 411 L N 2.067 123.353 121.223 0.106 0.000 2.381 411 L HA 0.369 4.709 4.340 -0.001 0.000 0.268 411 L C 0.363 177.317 176.870 0.139 0.000 0.997 411 L CA -1.117 53.781 54.840 0.096 0.000 0.818 411 L CB 1.951 44.055 42.059 0.075 0.000 1.310 411 L HN -0.042 nan 8.230 nan 0.000 0.416 412 K N 0.999 121.461 120.400 0.104 0.000 2.202 412 K HA 0.196 4.515 4.320 -0.001 0.000 0.264 412 K C 1.087 177.791 176.600 0.173 0.000 1.010 412 K CA 0.139 56.496 56.287 0.117 0.000 0.940 412 K CB 1.293 33.832 32.500 0.065 0.000 0.983 412 K HN 0.819 nan 8.250 nan 0.000 0.475 413 G N 1.838 110.790 108.800 0.253 0.000 2.469 413 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.220 413 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.220 413 G C 1.495 176.443 174.900 0.080 0.000 1.136 413 G CA 0.978 46.210 45.100 0.220 0.000 0.759 413 G HN 0.644 nan 8.290 nan 0.000 0.562 414 K N 0.358 120.800 120.400 0.070 0.000 2.147 414 K HA -0.097 4.223 4.320 -0.001 0.000 0.205 414 K C 2.412 179.025 176.600 0.021 0.000 1.049 414 K CA 1.445 57.753 56.287 0.035 0.000 0.936 414 K CB -0.099 32.420 32.500 0.032 0.000 0.722 414 K HN 0.461 nan 8.250 nan 0.000 0.446 415 E N 0.233 120.452 120.200 0.031 0.000 2.107 415 E HA -0.137 4.213 4.350 -0.001 0.000 0.191 415 E C 2.028 178.631 176.600 0.005 0.000 0.982 415 E CA 1.010 57.424 56.400 0.022 0.000 0.809 415 E CB -0.017 29.702 29.700 0.032 0.000 0.756 415 E HN 0.320 nan 8.360 nan 0.000 0.459 416 I N 0.979 121.544 120.570 -0.008 0.000 2.226 416 I HA -0.250 3.919 4.170 -0.001 0.000 0.245 416 I C 2.468 178.532 176.117 -0.088 0.000 1.100 416 I CA 0.532 61.795 61.300 -0.062 0.000 1.374 416 I CB -0.136 37.799 38.000 -0.107 0.000 1.057 416 I HN 0.143 nan 8.210 nan 0.000 0.413 417 L N 1.374 122.556 121.223 -0.068 0.000 2.012 417 L HA -0.171 4.168 4.340 -0.001 0.000 0.210 417 L C 2.562 179.392 176.870 -0.066 0.000 1.073 417 L CA 2.257 57.052 54.840 -0.075 0.000 0.748 417 L CB -0.909 41.128 42.059 -0.037 0.000 0.891 417 L HN 0.186 nan 8.230 nan 0.000 0.431 418 A N -0.481 122.319 122.820 -0.033 0.000 1.940 418 A HA -0.114 4.206 4.320 -0.001 0.000 0.219 418 A C 2.451 180.024 177.584 -0.018 0.000 1.176 418 A CA 1.937 53.959 52.037 -0.026 0.000 0.631 418 A CB -1.181 17.814 19.000 -0.009 0.000 0.814 418 A HN 0.630 nan 8.150 nan 0.000 0.446 419 A N -0.206 122.627 122.820 0.022 0.000 1.877 419 A HA -0.030 4.289 4.320 -0.001 0.000 0.216 419 A C 2.156 179.785 177.584 0.076 0.000 1.186 419 A CA 1.467 53.599 52.037 0.158 0.000 0.620 419 A CB -0.617 18.453 19.000 0.116 0.000 0.822 419 A HN 0.471 nan 8.150 nan 0.000 0.443 420 L N -0.576 120.571 121.223 -0.126 0.000 2.083 420 L HA -0.183 4.156 4.340 -0.001 0.000 0.209 420 L C 2.670 179.401 176.870 -0.232 0.000 1.083 420 L CA 1.263 55.908 54.840 -0.326 0.000 0.752 420 L CB -0.548 41.185 42.059 -0.543 0.000 0.899 420 L HN 0.371 nan 8.230 nan 0.000 0.433 421 E N 0.065 120.180 120.200 -0.140 0.000 2.077 421 E HA -0.233 4.117 4.350 -0.001 0.000 0.193 421 E C 1.865 178.394 176.600 -0.118 0.000 0.989 421 E CA 1.368 57.708 56.400 -0.101 0.000 0.800 421 E CB -0.382 29.281 29.700 -0.063 0.000 0.746 421 E HN 0.446 nan 8.360 nan 0.000 0.452 422 N N 0.632 119.240 118.700 -0.154 0.000 2.166 422 N HA -0.123 4.616 4.740 -0.001 0.000 0.186 422 N C 1.932 177.289 175.510 -0.254 0.000 1.019 422 N CA 1.743 54.636 53.050 -0.261 0.000 0.856 422 N CB -0.512 37.682 38.487 -0.488 0.000 0.993 422 N HN 0.141 nan 8.380 nan 0.000 0.426 423 G N -0.233 108.461 108.800 -0.175 0.000 2.442 423 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.219 423 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.219 423 G C 1.234 176.123 174.900 -0.018 0.000 1.141 423 G CA 1.427 46.483 45.100 -0.074 0.000 0.763 423 G HN 0.411 nan 8.290 nan 0.000 0.554 424 V N -0.568 119.296 119.914 -0.083 0.000 3.542 424 V HA 0.222 4.341 4.120 -0.001 0.000 0.296 424 V C 2.301 178.435 176.094 0.067 0.000 1.364 424 V CA 1.008 63.306 62.300 -0.005 0.000 1.118 424 V CB 0.100 31.680 31.823 -0.405 0.000 0.972 424 V HN 0.363 nan 8.190 nan 0.000 0.430 425 S N 0.538 116.248 115.700 0.016 0.000 2.447 425 S HA -0.102 4.367 4.470 -0.001 0.000 0.233 425 S C 1.410 176.052 174.600 0.069 0.000 1.006 425 S CA 1.228 59.441 58.200 0.022 0.000 0.957 425 S CB -0.446 62.729 63.200 -0.041 0.000 0.773 425 S HN 0.759 nan 8.310 nan 0.000 0.507 426 Q N -1.134 118.727 119.800 0.102 0.000 2.129 426 Q HA 0.243 4.582 4.340 -0.001 0.000 0.274 426 Q C 0.132 176.230 176.000 0.162 0.000 0.854 426 Q CA -0.493 55.374 55.803 0.107 0.000 1.123 426 Q CB 0.049 28.816 28.738 0.048 0.000 1.226 426 Q HN 0.675 nan 8.270 nan 0.000 0.454 427 W N 1.770 123.098 121.300 0.048 0.000 2.321 427 W HA -0.242 4.417 4.660 -0.001 0.000 0.306 427 W C 1.179 177.719 176.519 0.035 0.000 1.217 427 W CA 2.196 59.576 57.345 0.058 0.000 1.257 427 W CB 0.449 29.980 29.460 0.119 0.000 1.145 427 W HN 0.262 nan 8.180 nan 0.000 0.509 428 E N -0.225 120.196 120.200 0.367 0.000 2.209 428 E HA -0.216 4.134 4.350 -0.001 0.000 0.196 428 E C 1.452 178.054 176.600 0.005 0.000 0.993 428 E CA 1.501 58.030 56.400 0.215 0.000 0.819 428 E CB -0.473 29.359 29.700 0.221 0.000 0.745 428 E HN 0.352 nan 8.360 nan 0.000 0.477 429 N N -0.079 118.616 118.700 -0.010 0.000 2.280 429 N HA 0.003 4.743 4.740 -0.001 0.000 0.192 429 N C -0.480 174.961 175.510 -0.116 0.000 1.109 429 N CA 0.488 53.513 53.050 -0.042 0.000 0.855 429 N CB 0.747 39.236 38.487 0.002 0.000 0.974 429 N HN -0.057 nan 8.380 nan 0.000 0.482 430 T N 0.510 114.932 114.554 -0.219 0.000 3.882 430 T HA -0.201 4.148 4.350 -0.001 0.000 0.366 430 T C 0.344 174.945 174.700 -0.165 0.000 0.760 430 T CA 0.608 62.535 62.100 -0.288 0.000 1.931 430 T CB -1.700 66.993 68.868 -0.292 0.000 1.807 430 T HN 0.468 nan 8.240 nan 0.000 0.790 431 A N 0.381 123.153 122.820 -0.081 0.000 2.386 431 A HA 0.677 4.996 4.320 -0.001 0.000 0.248 431 A C 1.584 179.187 177.584 0.032 0.000 1.082 431 A CA 0.086 52.116 52.037 -0.013 0.000 0.789 431 A CB 0.387 19.403 19.000 0.026 0.000 1.025 431 A HN 0.840 nan 8.150 nan 0.000 0.490 432 G N 0.119 108.954 108.800 0.059 0.000 2.679 432 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.212 432 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.212 432 G C 1.279 176.292 174.900 0.188 0.000 1.137 432 G CA 0.641 45.806 45.100 0.109 0.000 0.787 432 G HN 0.900 nan 8.290 nan 0.000 0.534 433 R N -0.834 119.778 120.500 0.187 0.000 2.280 433 R HA 0.094 4.433 4.340 -0.001 0.000 0.207 433 R C 0.766 177.253 176.300 0.313 0.000 1.043 433 R CA -0.464 55.792 56.100 0.259 0.000 1.006 433 R CB -0.605 29.708 30.300 0.021 0.000 0.885 433 R HN 0.206 nan 8.270 nan 0.000 0.467 434 F N 2.514 122.537 119.950 0.122 0.000 2.623 434 F HA 0.032 4.558 4.527 -0.001 0.000 0.383 434 F C -0.046 175.852 175.800 0.162 0.000 1.077 434 F CA 0.128 58.202 58.000 0.124 0.000 1.268 434 F CB 0.508 39.563 39.000 0.092 0.000 1.053 434 F HN -0.077 nan 8.300 nan 0.000 0.571 435 L N 6.905 127.868 121.223 -0.434 0.000 2.264 435 L HA 0.269 4.609 4.340 -0.001 0.000 0.289 435 L C -0.029 176.762 176.870 -0.130 0.000 1.044 435 L CA -0.843 53.869 54.840 -0.212 0.000 0.807 435 L CB 0.997 42.930 42.059 -0.210 0.000 1.192 435 L HN 0.529 nan 8.230 nan 0.000 0.425 436 Q N 2.935 122.774 119.800 0.065 0.000 2.260 436 Q HA 0.607 4.946 4.340 -0.001 0.000 0.242 436 Q C -0.328 175.723 176.000 0.084 0.000 0.932 436 Q CA -0.303 55.585 55.803 0.143 0.000 0.891 436 Q CB 2.705 31.526 28.738 0.139 0.000 1.222 436 Q HN 0.530 nan 8.270 nan 0.000 0.453 437 V N -2.441 117.544 119.914 0.118 0.000 3.159 437 V HA 0.908 5.027 4.120 -0.001 0.000 0.308 437 V C -0.849 175.296 176.094 0.085 0.000 1.190 437 V CA -0.808 61.544 62.300 0.086 0.000 1.037 437 V CB 2.283 34.182 31.823 0.126 0.000 1.060 437 V HN 0.665 nan 8.190 nan 0.000 0.437 438 S N 0.066 115.802 115.700 0.060 0.000 2.546 438 S HA 0.746 5.216 4.470 -0.001 0.000 0.272 438 S C 0.506 175.140 174.600 0.057 0.000 1.140 438 S CA 0.805 59.044 58.200 0.064 0.000 0.920 438 S CB 1.167 64.391 63.200 0.039 0.000 1.083 438 S HN 2.904 nan 8.310 nan 0.000 0.476 439 G N 1.742 110.587 108.800 0.075 0.000 2.194 439 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.236 439 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.236 439 G C -0.390 174.565 174.900 0.092 0.000 0.987 439 G CA 0.590 45.726 45.100 0.060 0.000 0.635 439 G HN 1.738 nan 8.290 nan 0.000 0.520 440 L N -2.434 118.878 121.223 0.147 0.000 2.720 440 L HA 1.010 5.350 4.340 -0.001 0.000 0.261 440 L C -0.664 176.345 176.870 0.231 0.000 1.046 440 L CA -1.274 53.686 54.840 0.200 0.000 0.886 440 L CB 0.961 43.053 42.059 0.055 0.000 1.493 440 L HN 0.683 nan 8.230 nan 0.000 0.407 441 R N 0.314 120.908 120.500 0.158 0.000 2.725 441 R HA 0.853 5.192 4.340 -0.001 0.000 0.277 441 R C -1.842 174.534 176.300 0.126 0.000 0.987 441 R CA -0.700 55.436 56.100 0.060 0.000 0.901 441 R CB 1.909 32.058 30.300 -0.251 0.000 1.207 441 R HN 0.914 nan 8.270 nan 0.000 0.463 442 Y N -1.076 119.202 120.300 -0.037 0.000 2.588 442 Y HA 0.884 5.434 4.550 -0.001 0.000 0.343 442 Y C -1.767 174.164 175.900 0.052 0.000 1.065 442 Y CA -1.259 56.839 58.100 -0.003 0.000 1.038 442 Y CB 1.861 40.330 38.460 0.016 0.000 1.297 442 Y HN 0.919 nan 8.280 nan 0.000 0.467 443 A N 2.640 125.542 122.820 0.137 0.000 2.393 443 A HA 0.826 5.145 4.320 -0.001 0.000 0.306 443 A C -1.728 175.967 177.584 0.186 0.000 1.050 443 A CA -0.736 51.303 52.037 0.005 0.000 0.724 443 A CB 0.769 19.729 19.000 -0.068 0.000 1.248 443 A HN 1.045 nan 8.150 nan 0.000 0.424 444 F N 0.140 120.078 119.950 -0.020 0.000 2.576 444 F HA 0.740 5.267 4.527 -0.001 0.000 0.313 444 F C -0.836 174.922 175.800 -0.071 0.000 1.078 444 F CA -1.034 56.971 58.000 0.008 0.000 0.921 444 F CB 1.737 40.790 39.000 0.087 0.000 1.232 444 F HN 0.384 nan 8.300 nan 0.000 0.459 445 D N 3.561 123.982 120.400 0.036 0.000 2.373 445 D HA 0.275 4.914 4.640 -0.001 0.000 0.227 445 D C 0.547 176.830 176.300 -0.029 0.000 1.091 445 D CA -0.223 53.731 54.000 -0.077 0.000 0.840 445 D CB 1.528 42.304 40.800 -0.040 0.000 1.060 445 D HN 0.811 nan 8.370 nan 0.000 0.502 446 L N 2.605 123.744 121.223 -0.140 0.000 2.551 446 L HA -0.102 4.237 4.340 -0.001 0.000 0.228 446 L C 2.107 178.934 176.870 -0.071 0.000 1.153 446 L CA 0.564 55.327 54.840 -0.128 0.000 0.851 446 L CB -0.150 41.699 42.059 -0.350 0.000 0.959 446 L HN 0.352 nan 8.230 nan 0.000 0.451 447 S N -1.625 114.037 115.700 -0.065 0.000 2.562 447 S HA 0.094 4.563 4.470 -0.001 0.000 0.221 447 S C 1.042 175.634 174.600 -0.013 0.000 0.975 447 S CA -0.291 57.886 58.200 -0.037 0.000 0.918 447 S CB 0.070 63.245 63.200 -0.043 0.000 0.772 447 S HN 0.171 nan 8.310 nan 0.000 0.531 448 R N 2.045 122.543 120.500 -0.003 0.000 2.573 448 R HA 0.554 4.893 4.340 -0.001 0.000 0.272 448 R C -2.961 173.353 176.300 0.023 0.000 1.009 448 R CA -2.480 53.627 56.100 0.011 0.000 1.059 448 R CB -0.308 30.003 30.300 0.018 0.000 1.112 448 R HN 0.160 nan 8.270 nan 0.000 0.517 449 P HA 0.058 nan 4.420 nan 0.000 0.272 449 P C -0.743 176.574 177.300 0.028 0.000 1.223 449 P CA -0.109 63.005 63.100 0.023 0.000 0.784 449 P CB 0.492 32.201 31.700 0.015 0.000 0.923 450 A N 2.052 124.889 122.820 0.029 0.000 2.511 450 A HA 0.430 4.749 4.320 -0.001 0.000 0.242 450 A C 1.478 179.067 177.584 0.008 0.000 1.069 450 A CA 0.959 53.011 52.037 0.024 0.000 0.763 450 A CB -1.362 17.652 19.000 0.023 0.000 1.001 450 A HN 0.845 nan 8.150 nan 0.000 0.498 451 G N 0.691 109.491 108.800 0.000 0.000 2.284 451 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.216 451 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.216 451 G C 0.570 175.470 174.900 -0.000 0.000 1.009 451 G CA 0.713 45.807 45.100 -0.010 0.000 0.625 451 G HN 2.227 nan 8.290 nan 0.000 0.501 452 S N -0.610 115.098 115.700 0.013 0.000 2.794 452 S HA 0.533 5.003 4.470 -0.001 0.000 0.244 452 S C 0.875 175.498 174.600 0.039 0.000 1.045 452 S CA 0.066 58.278 58.200 0.020 0.000 1.114 452 S CB 0.634 63.843 63.200 0.015 0.000 1.085 452 S HN 0.432 nan 8.310 nan 0.000 0.488 453 R N 0.259 120.794 120.500 0.058 0.000 2.189 453 R HA 0.234 4.573 4.340 -0.001 0.000 0.203 453 R C -0.128 176.271 176.300 0.164 0.000 1.012 453 R CA 0.326 56.491 56.100 0.109 0.000 1.015 453 R CB 0.171 30.555 30.300 0.140 0.000 0.938 453 R HN 0.334 nan 8.270 nan 0.000 0.472 454 V N 3.106 123.102 119.914 0.137 0.000 2.397 454 V HA -0.029 4.090 4.120 -0.001 0.000 0.262 454 V C 1.397 177.558 176.094 0.110 0.000 1.047 454 V CA 0.143 62.548 62.300 0.175 0.000 1.003 454 V CB 1.132 33.017 31.823 0.103 0.000 1.037 454 V HN 0.141 nan 8.190 nan 0.000 0.480 455 V N 2.440 122.419 119.914 0.109 0.000 3.471 455 V HA 0.380 4.500 4.120 -0.001 0.000 0.258 455 V C 0.819 176.940 176.094 0.046 0.000 1.192 455 V CA 0.437 62.770 62.300 0.056 0.000 1.116 455 V CB -0.319 31.521 31.823 0.028 0.000 0.792 455 V HN 0.757 nan 8.190 nan 0.000 0.459 456 R N -0.407 120.133 120.500 0.068 0.000 2.626 456 R HA 0.774 5.114 4.340 -0.001 0.000 0.274 456 R C -2.064 174.281 176.300 0.075 0.000 1.031 456 R CA -0.454 55.673 56.100 0.046 0.000 0.898 456 R CB 2.956 33.263 30.300 0.010 0.000 1.222 456 R HN 0.126 nan 8.270 nan 0.000 0.455 457 V N 2.230 122.169 119.914 0.040 0.000 2.655 457 V HA 0.353 4.472 4.120 -0.001 0.000 0.301 457 V C -0.866 175.234 176.094 0.010 0.000 1.082 457 V CA -0.788 61.533 62.300 0.035 0.000 0.899 457 V CB 2.169 33.989 31.823 -0.006 0.000 1.014 457 V HN 0.754 nan 8.190 nan 0.000 0.429 458 E N 2.783 122.987 120.200 0.007 0.000 2.272 458 E HA 0.651 5.000 4.350 -0.001 0.000 0.269 458 E C -1.362 175.347 176.600 0.182 0.000 0.877 458 E CA -0.776 55.661 56.400 0.063 0.000 0.755 458 E CB 3.071 32.776 29.700 0.008 0.000 1.192 458 E HN 0.438 nan 8.360 nan 0.000 0.422 459 V N 2.748 122.771 119.914 0.182 0.000 2.509 459 V HA 0.198 4.317 4.120 -0.001 0.000 0.284 459 V C 0.169 176.380 176.094 0.196 0.000 1.047 459 V CA -0.575 61.815 62.300 0.150 0.000 0.952 459 V CB 1.259 33.101 31.823 0.031 0.000 0.988 459 V HN 0.554 nan 8.190 nan 0.000 0.469 460 K N 3.249 123.691 120.400 0.070 0.000 2.297 460 K HA 0.504 4.823 4.320 -0.001 0.000 0.286 460 K C 0.030 176.550 176.600 -0.133 0.000 1.053 460 K CA -0.122 56.002 56.287 -0.270 0.000 0.940 460 K CB 0.782 33.102 32.500 -0.300 0.000 1.019 460 K HN 1.024 nan 8.250 nan 0.000 0.475 461 T N -0.375 114.084 114.554 -0.157 0.000 2.778 461 T HA 0.225 4.574 4.350 -0.001 0.000 0.293 461 T C 0.748 175.401 174.700 -0.078 0.000 1.144 461 T CA -0.828 61.233 62.100 -0.066 0.000 1.010 461 T CB 1.210 70.072 68.868 -0.010 0.000 1.325 461 T HN 0.607 nan 8.240 nan 0.000 0.515 462 E N 0.234 120.411 120.200 -0.038 0.000 2.118 462 E HA -0.093 4.256 4.350 -0.001 0.000 0.195 462 E C 1.072 177.653 176.600 -0.031 0.000 0.992 462 E CA 0.819 57.200 56.400 -0.032 0.000 0.804 462 E CB -0.001 29.692 29.700 -0.013 0.000 0.741 462 E HN 0.375 nan 8.360 nan 0.000 0.458 463 K N 0.581 120.968 120.400 -0.022 0.000 2.504 463 K HA 0.176 4.496 4.320 -0.001 0.000 0.199 463 K C 0.608 177.199 176.600 -0.015 0.000 1.028 463 K CA 0.527 56.808 56.287 -0.010 0.000 1.164 463 K CB 0.410 32.913 32.500 0.005 0.000 0.877 463 K HN 0.220 nan 8.250 nan 0.000 0.508 464 G N 0.780 109.545 108.800 -0.058 0.000 2.660 464 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.247 464 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.247 464 G C -1.159 173.682 174.900 -0.098 0.000 1.328 464 G CA -0.931 44.117 45.100 -0.087 0.000 0.884 464 G HN 0.117 nan 8.290 nan 0.000 0.531 465 Y N -0.545 119.772 120.300 0.029 0.000 2.442 465 Y HA 0.447 4.996 4.550 -0.001 0.000 0.330 465 Y C 1.121 177.040 175.900 0.032 0.000 1.129 465 Y CA 0.099 58.217 58.100 0.030 0.000 1.365 465 Y CB 1.204 39.680 38.460 0.027 0.000 1.233 465 Y HN 0.446 nan 8.280 nan 0.000 0.529 466 V N 6.397 126.442 119.914 0.218 0.000 2.604 466 V HA 0.373 4.492 4.120 -0.001 0.000 0.305 466 V C -2.298 173.878 176.094 0.136 0.000 1.043 466 V CA -2.665 59.722 62.300 0.144 0.000 0.888 466 V CB 1.993 33.886 31.823 0.116 0.000 0.995 466 V HN 0.577 nan 8.190 nan 0.000 0.429 467 P HA 0.054 nan 4.420 nan 0.000 0.266 467 P C -0.367 176.985 177.300 0.087 0.000 1.195 467 P CA -0.188 62.958 63.100 0.077 0.000 0.768 467 P CB 0.383 32.120 31.700 0.060 0.000 0.838 468 L N 3.516 124.770 121.223 0.053 0.000 2.525 468 L HA 0.071 4.411 4.340 -0.001 0.000 0.278 468 L C 0.274 177.216 176.870 0.120 0.000 1.218 468 L CA 0.681 55.546 54.840 0.042 0.000 0.878 468 L CB -0.250 41.782 42.059 -0.044 0.000 1.127 468 L HN 0.264 nan 8.230 nan 0.000 0.492 469 D N 4.542 125.091 120.400 0.248 0.000 2.412 469 D HA 0.134 4.773 4.640 -0.001 0.000 0.224 469 D C 1.086 177.505 176.300 0.199 0.000 1.093 469 D CA -0.186 53.929 54.000 0.192 0.000 0.850 469 D CB 0.739 41.640 40.800 0.169 0.000 1.046 469 D HN 0.641 nan 8.370 nan 0.000 0.507 470 L N 2.668 123.961 121.223 0.117 0.000 2.261 470 L HA -0.113 4.226 4.340 -0.001 0.000 0.216 470 L C 1.579 178.500 176.870 0.085 0.000 1.114 470 L CA 1.004 55.901 54.840 0.096 0.000 0.777 470 L CB -0.104 41.988 42.059 0.055 0.000 0.910 470 L HN 0.439 nan 8.230 nan 0.000 0.440 471 E N -0.093 120.147 120.200 0.066 0.000 2.472 471 E HA 0.196 4.545 4.350 -0.001 0.000 0.196 471 E C 0.798 177.400 176.600 0.005 0.000 1.033 471 E CA -0.086 56.334 56.400 0.033 0.000 0.886 471 E CB 0.430 30.141 29.700 0.018 0.000 0.944 471 E HN 0.404 nan 8.360 nan 0.000 0.492 472 A N 1.108 123.926 122.820 -0.003 0.000 2.257 472 A HA 0.434 4.753 4.320 -0.001 0.000 0.289 472 A C 0.133 177.587 177.584 -0.217 0.000 1.095 472 A CA -0.202 51.740 52.037 -0.158 0.000 0.836 472 A CB 0.805 19.627 19.000 -0.297 0.000 1.111 472 A HN -0.042 nan 8.150 nan 0.000 0.497 473 T N 0.713 115.059 114.554 -0.347 0.000 2.823 473 T HA 0.593 4.942 4.350 -0.001 0.000 0.279 473 T C -1.412 173.039 174.700 -0.414 0.000 0.998 473 T CA 0.271 62.235 62.100 -0.226 0.000 0.994 473 T CB 0.388 69.193 68.868 -0.105 0.000 0.960 473 T HN 0.389 nan 8.240 nan 0.000 0.448 474 Y N 0.899 121.207 120.300 0.013 0.000 2.462 474 Y HA 0.562 5.111 4.550 -0.001 0.000 0.346 474 Y C 0.339 176.253 175.900 0.022 0.000 0.976 474 Y CA -1.298 56.811 58.100 0.014 0.000 1.044 474 Y CB 1.642 40.110 38.460 0.013 0.000 1.230 474 Y HN 0.442 nan 8.280 nan 0.000 0.455 475 R N 2.798 123.398 120.500 0.166 0.000 2.221 475 R HA 0.632 4.971 4.340 -0.001 0.000 0.327 475 R C -1.146 175.223 176.300 0.115 0.000 1.033 475 R CA -0.492 55.683 56.100 0.125 0.000 0.887 475 R CB 0.411 30.763 30.300 0.087 0.000 1.057 475 R HN 0.623 nan 8.270 nan 0.000 0.455 476 V N 1.863 121.833 119.914 0.094 0.000 3.046 476 V HA 0.742 4.861 4.120 -0.001 0.000 0.316 476 V C -1.132 174.985 176.094 0.039 0.000 1.104 476 V CA -0.887 61.444 62.300 0.052 0.000 1.006 476 V CB 1.983 33.818 31.823 0.019 0.000 1.058 476 V HN 0.480 nan 8.190 nan 0.000 0.440 477 V N 3.778 123.702 119.914 0.018 0.000 2.540 477 V HA 0.890 5.010 4.120 -0.001 0.000 0.302 477 V C -0.333 175.751 176.094 -0.017 0.000 1.035 477 V CA 0.429 62.740 62.300 0.017 0.000 0.873 477 V CB 1.541 33.384 31.823 0.034 0.000 0.992 477 V HN 1.783 nan 8.190 nan 0.000 0.428 478 V N 3.432 123.331 119.914 -0.026 0.000 3.105 478 V HA 0.757 4.876 4.120 -0.001 0.000 0.311 478 V C -0.652 175.428 176.094 -0.023 0.000 1.287 478 V CA -0.813 61.450 62.300 -0.061 0.000 1.066 478 V CB 2.002 33.748 31.823 -0.127 0.000 1.105 478 V HN 1.057 nan 8.190 nan 0.000 0.462 479 N N 0.569 119.254 118.700 -0.025 0.000 2.489 479 N HA 0.293 5.032 4.740 -0.001 0.000 0.284 479 N C 0.786 176.314 175.510 0.030 0.000 1.158 479 N CA -0.187 52.882 53.050 0.031 0.000 0.965 479 N CB 0.463 38.986 38.487 0.061 0.000 1.195 479 N HN 0.837 nan 8.380 nan 0.000 0.506 480 N N 0.661 119.400 118.700 0.065 0.000 2.289 480 N HA -0.227 4.512 4.740 -0.001 0.000 0.184 480 N C 1.075 176.627 175.510 0.070 0.000 1.016 480 N CA 0.875 53.957 53.050 0.053 0.000 0.872 480 N CB -0.442 38.086 38.487 0.068 0.000 0.973 480 N HN 0.597 nan 8.380 nan 0.000 0.433 481 F N 2.912 122.843 119.950 -0.032 0.000 2.102 481 F HA -0.029 4.497 4.527 -0.001 0.000 0.298 481 F C 2.289 178.070 175.800 -0.031 0.000 1.105 481 F CA 1.445 59.420 58.000 -0.041 0.000 1.239 481 F CB -0.262 38.682 39.000 -0.093 0.000 0.991 481 F HN 0.093 nan 8.300 nan 0.000 0.474 482 I N -1.681 118.843 120.570 -0.078 0.000 2.716 482 I HA 0.113 4.283 4.170 -0.001 0.000 0.259 482 I C 2.261 178.272 176.117 -0.177 0.000 1.172 482 I CA 1.117 62.304 61.300 -0.188 0.000 1.478 482 I CB -1.260 36.529 38.000 -0.352 0.000 1.104 482 I HN 0.067 nan 8.210 nan 0.000 0.439 483 A N 2.082 124.820 122.820 -0.137 0.000 1.972 483 A HA -0.143 4.176 4.320 -0.001 0.000 0.219 483 A C 1.859 179.389 177.584 -0.090 0.000 1.169 483 A CA 1.715 53.690 52.037 -0.104 0.000 0.635 483 A CB -0.746 18.209 19.000 -0.074 0.000 0.810 483 A HN 0.547 nan 8.150 nan 0.000 0.446 484 N N -0.865 117.767 118.700 -0.113 0.000 2.461 484 N HA 0.139 4.878 4.740 -0.001 0.000 0.188 484 N C 1.062 176.489 175.510 -0.138 0.000 1.134 484 N CA 1.054 54.038 53.050 -0.110 0.000 0.878 484 N CB 0.487 38.914 38.487 -0.101 0.000 0.972 484 N HN 0.671 nan 8.380 nan 0.000 0.456 485 G N -0.594 108.119 108.800 -0.145 0.000 2.179 485 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.220 485 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.220 485 G C 0.485 175.262 174.900 -0.205 0.000 0.990 485 G CA -0.171 44.862 45.100 -0.112 0.000 0.646 485 G HN 0.567 nan 8.290 nan 0.000 0.517 486 G N -0.701 107.803 108.800 -0.493 0.000 2.636 486 G HA2 0.470 4.429 3.960 -0.001 0.000 0.246 486 G HA3 0.470 4.429 3.960 -0.001 0.000 0.246 486 G C 0.486 175.252 174.900 -0.224 0.000 1.216 486 G CA 0.956 45.558 45.100 -0.830 0.000 0.854 486 G HN 0.781 nan 8.290 nan 0.000 0.572 487 D N -1.017 119.376 120.400 -0.012 0.000 2.870 487 D HA -0.161 4.478 4.640 -0.001 0.000 0.228 487 D C 1.572 177.781 176.300 -0.150 0.000 1.147 487 D CA 2.514 56.586 54.000 0.119 0.000 0.757 487 D CB -1.271 39.767 40.800 0.397 0.000 1.091 487 D HN 1.721 nan 8.370 nan 0.000 0.429 488 G N -0.957 107.746 108.800 -0.162 0.000 2.155 488 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.257 488 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.257 488 G C 0.443 175.139 174.900 -0.341 0.000 0.983 488 G CA 0.191 45.141 45.100 -0.250 0.000 0.676 488 G HN 0.428 nan 8.290 nan 0.000 0.528 489 F N 2.367 122.257 119.950 -0.100 0.000 2.783 489 F HA 0.254 4.780 4.527 -0.001 0.000 0.338 489 F C 2.343 178.086 175.800 -0.096 0.000 1.178 489 F CA 0.694 58.636 58.000 -0.096 0.000 1.343 489 F CB -0.278 38.659 39.000 -0.106 0.000 1.496 489 F HN 0.215 nan 8.300 nan 0.000 0.583 490 T N -4.211 110.345 114.554 0.003 0.000 2.849 490 T HA -0.218 4.131 4.350 -0.001 0.000 0.270 490 T C 2.191 176.900 174.700 0.015 0.000 1.066 490 T CA 1.387 63.483 62.100 -0.007 0.000 1.130 490 T CB -0.697 68.151 68.868 -0.033 0.000 0.864 490 T HN 0.314 nan 8.240 nan 0.000 0.481 491 V N 0.937 120.872 119.914 0.036 0.000 2.490 491 V HA 0.010 4.130 4.120 -0.001 0.000 0.250 491 V C 2.392 178.510 176.094 0.040 0.000 1.061 491 V CA 1.422 63.745 62.300 0.037 0.000 1.064 491 V CB -0.555 31.294 31.823 0.045 0.000 0.670 491 V HN 0.602 nan 8.190 nan 0.000 0.461 492 L N -0.335 120.926 121.223 0.063 0.000 2.131 492 L HA -0.083 4.256 4.340 -0.001 0.000 0.206 492 L C 2.561 179.427 176.870 -0.008 0.000 1.087 492 L CA 1.847 56.696 54.840 0.015 0.000 0.767 492 L CB -0.638 41.411 42.059 -0.017 0.000 0.917 492 L HN 0.305 nan 8.230 nan 0.000 0.441 493 K N 0.853 121.250 120.400 -0.005 0.000 2.097 493 K HA -0.168 4.151 4.320 -0.001 0.000 0.205 493 K C 1.615 178.204 176.600 -0.018 0.000 1.050 493 K CA 1.329 57.601 56.287 -0.024 0.000 0.938 493 K CB 0.142 32.623 32.500 -0.032 0.000 0.718 493 K HN 0.324 nan 8.250 nan 0.000 0.442 494 E N 0.309 120.504 120.200 -0.008 0.000 2.489 494 E HA 0.065 4.414 4.350 -0.001 0.000 0.193 494 E C -0.155 176.443 176.600 -0.003 0.000 1.057 494 E CA -0.181 56.216 56.400 -0.006 0.000 0.866 494 E CB 0.396 30.094 29.700 -0.004 0.000 0.916 494 E HN 0.311 nan 8.360 nan 0.000 0.500 495 A N 1.513 124.332 122.820 -0.002 0.000 2.548 495 A HA -0.064 4.255 4.320 -0.001 0.000 0.247 495 A C 0.942 178.526 177.584 0.000 0.000 1.067 495 A CA 0.141 52.180 52.037 0.003 0.000 0.757 495 A CB 0.332 19.333 19.000 0.002 0.000 0.996 495 A HN 0.061 nan 8.150 nan 0.000 0.504 496 Q N 1.947 121.752 119.800 0.009 0.000 2.319 496 Q HA 0.104 4.443 4.340 -0.001 0.000 0.202 496 Q C 1.108 177.120 176.000 0.021 0.000 0.896 496 Q CA 0.686 56.495 55.803 0.009 0.000 0.942 496 Q CB 0.312 29.056 28.738 0.010 0.000 1.083 496 Q HN 0.882 nan 8.270 nan 0.000 0.510 497 G N -0.097 108.723 108.800 0.032 0.000 2.588 497 G HA2 0.071 4.030 3.960 -0.001 0.000 0.278 497 G HA3 0.071 4.030 3.960 -0.001 0.000 0.278 497 G C -0.825 174.126 174.900 0.086 0.000 1.307 497 G CA -0.530 44.608 45.100 0.065 0.000 1.016 497 G HN 0.206 nan 8.290 nan 0.000 0.503 498 Y N 0.384 120.681 120.300 -0.004 0.000 2.895 498 Y HA 0.155 4.704 4.550 -0.001 0.000 0.334 498 Y C 0.772 176.669 175.900 -0.004 0.000 1.261 498 Y CA 0.601 58.698 58.100 -0.005 0.000 1.560 498 Y CB 0.287 38.744 38.460 -0.005 0.000 1.253 498 Y HN 0.470 nan 8.280 nan 0.000 0.582 499 R N 5.310 125.466 120.500 -0.574 0.000 2.510 499 R HA 0.663 5.003 4.340 -0.001 0.000 0.287 499 R C -2.535 173.425 176.300 -0.567 0.000 1.084 499 R CA -0.635 55.183 56.100 -0.470 0.000 0.934 499 R CB 1.291 31.465 30.300 -0.209 0.000 1.201 499 R HN 0.571 nan 8.270 nan 0.000 0.431 500 V N 3.728 123.347 119.914 -0.493 0.000 2.655 500 V HA 0.179 4.298 4.120 -0.001 0.000 0.301 500 V C -0.845 175.149 176.094 -0.167 0.000 1.082 500 V CA -0.940 61.165 62.300 -0.325 0.000 0.899 500 V CB 1.871 33.491 31.823 -0.338 0.000 1.014 500 V HN 0.729 nan 8.190 nan 0.000 0.429 501 D N 3.243 123.570 120.400 -0.122 0.000 2.336 501 D HA 0.094 4.733 4.640 -0.001 0.000 0.249 501 D C 1.442 177.678 176.300 -0.107 0.000 1.213 501 D CA 0.451 54.403 54.000 -0.080 0.000 0.870 501 D CB 2.011 42.777 40.800 -0.057 0.000 1.076 501 D HN 0.785 nan 8.370 nan 0.000 0.483 502 T N 1.066 115.552 114.554 -0.114 0.000 2.962 502 T HA 0.061 4.411 4.350 -0.001 0.000 0.270 502 T C 1.562 176.019 174.700 -0.405 0.000 1.088 502 T CA 0.929 62.852 62.100 -0.295 0.000 1.127 502 T CB -0.099 68.581 68.868 -0.314 0.000 0.883 502 T HN 0.612 nan 8.240 nan 0.000 0.493 503 G N 0.657 109.349 108.800 -0.181 0.000 2.179 503 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.260 503 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.260 503 G C -0.108 174.774 174.900 -0.030 0.000 0.977 503 G CA -0.063 44.968 45.100 -0.115 0.000 0.641 503 G HN 0.535 nan 8.290 nan 0.000 0.533 504 F N 2.460 122.431 119.950 0.036 0.000 2.533 504 F HA 0.520 5.046 4.527 -0.001 0.000 0.378 504 F C 1.272 177.111 175.800 0.064 0.000 1.070 504 F CA -0.302 57.727 58.000 0.048 0.000 1.172 504 F CB 1.057 40.083 39.000 0.044 0.000 1.085 504 F HN 0.138 nan 8.300 nan 0.000 0.552 505 S N 2.652 118.518 115.700 0.277 0.000 2.549 505 S HA 0.037 4.507 4.470 -0.001 0.000 0.283 505 S C 1.203 175.908 174.600 0.175 0.000 1.320 505 S CA -0.616 57.703 58.200 0.199 0.000 1.058 505 S CB 0.461 63.770 63.200 0.183 0.000 0.882 505 S HN 0.606 nan 8.310 nan 0.000 0.498 506 D N 5.199 125.690 120.400 0.151 0.000 2.097 506 D HA -0.119 4.520 4.640 -0.001 0.000 0.195 506 D C 2.008 178.370 176.300 0.103 0.000 0.989 506 D CA 1.696 55.768 54.000 0.120 0.000 0.827 506 D CB -1.065 39.802 40.800 0.111 0.000 0.966 506 D HN 0.592 nan 8.370 nan 0.000 0.456 507 A N 0.906 123.759 122.820 0.054 0.000 1.877 507 A HA -0.212 4.108 4.320 -0.001 0.000 0.216 507 A C 2.170 179.730 177.584 -0.041 0.000 1.186 507 A CA 1.702 53.692 52.037 -0.078 0.000 0.620 507 A CB -0.655 18.083 19.000 -0.437 0.000 0.822 507 A HN 0.295 nan 8.150 nan 0.000 0.443 508 E N 0.067 120.282 120.200 0.024 0.000 2.077 508 E HA -0.131 4.218 4.350 -0.001 0.000 0.193 508 E C 2.286 178.937 176.600 0.086 0.000 0.989 508 E CA 1.392 57.830 56.400 0.062 0.000 0.800 508 E CB -0.253 29.521 29.700 0.123 0.000 0.746 508 E HN 0.576 nan 8.360 nan 0.000 0.452 509 S N 0.814 116.580 115.700 0.110 0.000 2.368 509 S HA -0.131 4.338 4.470 -0.001 0.000 0.225 509 S C 1.612 176.341 174.600 0.214 0.000 1.030 509 S CA 0.783 59.050 58.200 0.111 0.000 0.999 509 S CB -0.289 62.939 63.200 0.047 0.000 0.844 509 S HN 0.255 nan 8.310 nan 0.000 0.459 510 F N 2.207 122.171 119.950 0.024 0.000 2.186 510 F HA 0.081 4.607 4.527 -0.001 0.000 0.299 510 F C 2.001 177.815 175.800 0.022 0.000 1.090 510 F CA 1.045 59.064 58.000 0.033 0.000 1.307 510 F CB -0.529 38.465 39.000 -0.010 0.000 1.019 510 F HN 0.127 nan 8.300 nan 0.000 0.489 511 M N -0.335 119.203 119.600 -0.103 0.000 2.175 511 M HA -0.178 4.301 4.480 -0.001 0.000 0.264 511 M C 1.685 177.903 176.300 -0.136 0.000 1.063 511 M CA 1.489 56.655 55.300 -0.223 0.000 1.119 511 M CB -0.570 31.945 32.600 -0.141 0.000 1.377 511 M HN -0.019 nan 8.290 nan 0.000 0.415 512 D N -0.328 120.077 120.400 0.008 0.000 2.144 512 D HA -0.180 4.459 4.640 -0.001 0.000 0.199 512 D C 1.702 177.963 176.300 -0.066 0.000 0.984 512 D CA 1.307 55.361 54.000 0.090 0.000 0.834 512 D CB -0.306 40.673 40.800 0.299 0.000 0.955 512 D HN 0.338 nan 8.370 nan 0.000 0.465 513 Y N 1.350 121.460 120.300 -0.316 0.000 2.220 513 Y HA -0.052 4.497 4.550 -0.001 0.000 0.291 513 Y C 2.215 177.793 175.900 -0.537 0.000 1.129 513 Y CA 0.897 58.578 58.100 -0.698 0.000 1.161 513 Y CB -0.463 37.770 38.460 -0.378 0.000 0.997 513 Y HN -0.103 nan 8.280 nan 0.000 0.522 514 L N -0.201 120.746 121.223 -0.459 0.000 2.083 514 L HA -0.244 4.095 4.340 -0.001 0.000 0.209 514 L C 2.325 178.964 176.870 -0.385 0.000 1.083 514 L CA 1.628 56.166 54.840 -0.502 0.000 0.752 514 L CB -0.471 41.262 42.059 -0.544 0.000 0.899 514 L HN 0.113 nan 8.230 nan 0.000 0.433 515 K N -0.249 119.975 120.400 -0.295 0.000 2.148 515 K HA -0.220 4.100 4.320 -0.001 0.000 0.204 515 K C 2.016 178.489 176.600 -0.212 0.000 1.050 515 K CA 1.291 57.458 56.287 -0.200 0.000 0.942 515 K CB -0.015 32.416 32.500 -0.115 0.000 0.724 515 K HN 0.132 nan 8.250 nan 0.000 0.446 516 E N 1.391 121.408 120.200 -0.304 0.000 2.072 516 E HA -0.115 4.234 4.350 -0.001 0.000 0.191 516 E C 1.741 178.139 176.600 -0.337 0.000 0.985 516 E CA 1.095 57.316 56.400 -0.299 0.000 0.801 516 E CB -0.110 29.301 29.700 -0.481 0.000 0.750 516 E HN 0.183 nan 8.360 nan 0.000 0.452 517 L N -0.336 120.594 121.223 -0.490 0.000 2.109 517 L HA -0.116 4.223 4.340 -0.001 0.000 0.207 517 L C 1.579 178.290 176.870 -0.264 0.000 1.086 517 L CA 1.018 55.607 54.840 -0.418 0.000 0.760 517 L CB -0.298 41.427 42.059 -0.556 0.000 0.910 517 L HN 0.098 nan 8.230 nan 0.000 0.437 518 K N -1.771 118.483 120.400 -0.244 0.000 8.070 518 K HA -0.223 4.096 4.320 -0.001 0.000 0.487 518 K C 0.329 176.839 176.600 -0.150 0.000 0.363 518 K CA 1.642 57.827 56.287 -0.169 0.000 1.957 518 K CB -1.703 30.721 32.500 -0.127 0.000 0.676 518 K HN 0.181 nan 8.250 nan 0.000 0.908 519 V N 2.739 122.568 119.914 -0.142 0.000 2.334 519 V HA 0.319 4.439 4.120 -0.001 0.000 0.281 519 V C -0.059 175.957 176.094 -0.129 0.000 1.016 519 V CA -0.706 61.526 62.300 -0.113 0.000 0.832 519 V CB 1.788 33.561 31.823 -0.084 0.000 0.999 519 V HN 0.120 nan 8.190 nan 0.000 0.439 520 V N 6.271 126.113 119.914 -0.120 0.000 2.432 520 V HA 0.462 4.581 4.120 -0.001 0.000 0.275 520 V C 0.103 176.160 176.094 -0.061 0.000 1.043 520 V CA -0.411 61.821 62.300 -0.113 0.000 0.925 520 V CB 1.346 33.103 31.823 -0.110 0.000 0.985 520 V HN 1.036 nan 8.190 nan 0.000 0.466 521 E N 4.140 124.310 120.200 -0.051 0.000 2.272 521 E HA 0.872 5.221 4.350 -0.001 0.000 0.269 521 E C -0.995 175.608 176.600 0.004 0.000 0.877 521 E CA -1.069 55.319 56.400 -0.019 0.000 0.755 521 E CB 2.521 32.208 29.700 -0.022 0.000 1.192 521 E HN 0.754 nan 8.360 nan 0.000 0.422 522 A N 2.042 124.877 122.820 0.024 0.000 2.532 522 A HA 0.756 5.075 4.320 -0.001 0.000 0.296 522 A C -0.618 176.992 177.584 0.044 0.000 1.058 522 A CA -0.126 51.938 52.037 0.047 0.000 0.729 522 A CB 1.628 20.671 19.000 0.072 0.000 1.285 522 A HN 0.837 nan 8.150 nan 0.000 0.396 523 G N 0.148 108.976 108.800 0.046 0.000 3.105 523 G HA2 0.635 4.594 3.960 -0.001 0.000 0.277 523 G HA3 0.635 4.594 3.960 -0.001 0.000 0.277 523 G C -0.915 174.015 174.900 0.050 0.000 1.375 523 G CA -0.908 44.217 45.100 0.042 0.000 0.962 523 G HN 0.770 nan 8.290 nan 0.000 0.541 524 L N 0.167 121.417 121.223 0.044 0.000 2.349 524 L HA 0.384 4.724 4.340 -0.001 0.000 0.275 524 L C 0.381 177.281 176.870 0.050 0.000 1.115 524 L CA -0.051 54.818 54.840 0.048 0.000 0.820 524 L CB 1.343 43.425 42.059 0.039 0.000 1.135 524 L HN 0.647 nan 8.230 nan 0.000 0.445 525 E N 1.679 121.915 120.200 0.060 0.000 2.887 525 E HA 0.156 4.505 4.350 -0.001 0.000 0.206 525 E C 0.836 177.479 176.600 0.072 0.000 0.983 525 E CA -0.010 56.433 56.400 0.071 0.000 1.141 525 E CB 0.955 30.709 29.700 0.089 0.000 1.061 525 E HN 0.974 nan 8.360 nan 0.000 0.468 526 G N 2.315 111.140 108.800 0.042 0.000 2.321 526 G HA2 -0.380 3.579 3.960 -0.001 0.000 0.287 526 G HA3 -0.380 3.579 3.960 -0.001 0.000 0.287 526 G C 0.904 175.802 174.900 -0.002 0.000 1.018 526 G CA 0.618 45.724 45.100 0.010 0.000 0.855 526 G HN 0.323 nan 8.290 nan 0.000 0.507 527 R N -0.964 119.555 120.500 0.032 0.000 2.153 527 R HA 0.225 4.564 4.340 -0.001 0.000 0.218 527 R C 1.032 177.307 176.300 -0.041 0.000 1.072 527 R CA 0.964 57.090 56.100 0.043 0.000 0.990 527 R CB 0.254 30.615 30.300 0.101 0.000 0.889 527 R HN 0.546 nan 8.270 nan 0.000 0.452 528 I N 0.486 121.005 120.570 -0.085 0.000 2.534 528 I HA 0.214 4.384 4.170 -0.001 0.000 0.288 528 I C -0.887 175.135 176.117 -0.158 0.000 1.077 528 I CA -0.749 60.408 61.300 -0.238 0.000 1.051 528 I CB 2.515 40.428 38.000 -0.146 0.000 1.234 528 I HN -0.067 nan 8.210 nan 0.000 0.425 529 E N 5.700 125.762 120.200 -0.231 0.000 2.176 529 E HA 0.535 4.884 4.350 -0.001 0.000 0.267 529 E C -1.622 174.714 176.600 -0.440 0.000 0.893 529 E CA -0.647 55.612 56.400 -0.235 0.000 0.761 529 E CB 2.051 31.637 29.700 -0.191 0.000 1.133 529 E HN 0.377 nan 8.360 nan 0.000 0.409 530 V N 6.266 125.902 119.914 -0.464 0.000 2.350 530 V HA 0.325 4.444 4.120 -0.001 0.000 0.276 530 V C -0.023 175.747 176.094 -0.540 0.000 1.028 530 V CA -0.581 61.241 62.300 -0.796 0.000 0.860 530 V CB 0.747 32.260 31.823 -0.517 0.000 0.990 530 V HN 0.630 nan 8.190 nan 0.000 0.453 531 L N 4.582 125.456 121.223 -0.582 0.000 2.325 531 L HA 0.596 4.935 4.340 -0.001 0.000 0.278 531 L C 0.517 177.206 176.870 -0.301 0.000 1.023 531 L CA -0.824 53.811 54.840 -0.341 0.000 0.811 531 L CB 1.226 43.132 42.059 -0.255 0.000 1.249 531 L HN 0.658 nan 8.230 nan 0.000 0.431 532 N N 1.440 120.017 118.700 -0.205 0.000 2.725 532 N HA -0.206 4.533 4.740 -0.001 0.000 0.251 532 N C -0.033 175.361 175.510 -0.194 0.000 1.031 532 N CA 0.820 53.773 53.050 -0.160 0.000 0.720 532 N CB -0.827 37.583 38.487 -0.128 0.000 0.930 532 N HN 0.767 nan 8.380 nan 0.000 0.543 533 E N 1.476 121.548 120.200 -0.214 0.000 2.344 533 E HA 0.195 4.545 4.350 -0.001 0.000 0.270 533 E C -1.231 175.320 176.600 -0.081 0.000 1.021 533 E CA -1.107 55.158 56.400 -0.225 0.000 0.887 533 E CB 0.747 30.344 29.700 -0.171 0.000 0.997 533 E HN 0.149 nan 8.360 nan 0.000 0.429 534 P HA 0.000 nan 4.420 nan 0.000 0.216 534 P CA 0.000 63.129 63.100 0.049 0.000 0.800 534 P CB 0.000 31.759 31.700 0.099 0.000 0.726