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 1hcm_1_A DATA FIRST_RESID 42 DATA SEQUENCE APEGVSALSD AQYNEANKIY FERCAGCHGV LRKGATGKAL TPDLTRDLGF DATA SEQUENCE DYLQSFITYG SPAGMPNWGT SGELSAEQVD LMANYLLLDP AAPPEFGMKE DATA SEQUENCE MRESWKVHVA PEDRPTQQEN DWDLENLFSV TLRDAGQIAL IDGATYEIKS DATA SEQUENCE VLDTGYAVHI SRLSASGRYL FVIGRDGKVN MIDLWMKEPT TVAEIKIGSE DATA SEQUENCE ARSIETSKME GWEDKYAIAG AYWPPQYVIM DGETLEPKKI QSTRGMTYDE DATA SEQUENCE QEYHPEPRVA AILASHYRPE FIVNVKETGK ILLVDYTDLD NLKTTEISAE DATA SEQUENCE RFLHDGGLDG SHRYFITAAN ARNKLVVIDT KEGKLVAIED TGGQTPHPGR DATA SEQUENCE GANFVHPTFG PVWATSHMGD DSVALIGTDP EGHPDNAWKI LDSFPALGGG DATA SEQUENCE SLFIKTHPNS QYLYVDATLN PEAEISGSVA VFDIKAMTGD GSDPEFKTLP DATA SEQUENCE IAEWAGITEG QPRVVQGEFN KDGTEVWFSV WNGKDQESAL VVVDDKTLEL DATA SEQUENCE KHVIKDERLV TPTGKFNVYN TMTDTY 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 42 A HA 0.000 nan 4.320 nan 0.000 0.244 42 A C 0.000 177.583 177.584 -0.002 0.000 1.274 42 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 42 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 43 P HA 0.384 nan 4.420 nan 0.000 0.269 43 P C -0.012 177.288 177.300 -0.001 0.000 1.217 43 P CA -0.111 62.987 63.100 -0.003 0.000 0.783 43 P CB 0.376 32.071 31.700 -0.008 0.000 0.898 44 E N -0.382 119.822 120.200 0.006 0.000 2.408 44 E HA 0.336 4.686 4.350 -0.000 0.000 0.259 44 E C 0.508 177.106 176.600 -0.005 0.000 1.110 44 E CA -0.280 56.124 56.400 0.006 0.000 0.929 44 E CB 0.402 30.117 29.700 0.025 0.000 0.971 44 E HN 0.591 nan 8.360 nan 0.000 0.438 45 G N 0.372 109.162 108.800 -0.017 0.000 2.372 45 G HA2 0.340 4.300 3.960 -0.000 0.000 0.283 45 G HA3 0.340 4.300 3.960 -0.000 0.000 0.283 45 G C -0.615 174.265 174.900 -0.032 0.000 1.177 45 G CA -0.525 44.560 45.100 -0.026 0.000 0.842 45 G HN 0.262 nan 8.290 nan 0.000 0.503 46 V N 2.478 122.376 119.914 -0.027 0.000 2.333 46 V HA 0.176 4.296 4.120 -0.000 0.000 0.274 46 V C 0.650 176.725 176.094 -0.031 0.000 1.028 46 V CA -0.602 61.685 62.300 -0.023 0.000 0.851 46 V CB 0.889 32.703 31.823 -0.015 0.000 1.000 46 V HN 0.814 nan 8.190 nan 0.000 0.456 47 S N 4.005 119.680 115.700 -0.042 0.000 2.573 47 S HA 0.238 4.708 4.470 -0.000 0.000 0.297 47 S C 0.554 175.144 174.600 -0.017 0.000 1.280 47 S CA 0.019 58.196 58.200 -0.039 0.000 1.061 47 S CB 0.525 63.694 63.200 -0.051 0.000 0.812 47 S HN 1.024 nan 8.310 nan 0.000 0.500 48 A N 3.433 126.241 122.820 -0.019 0.000 2.269 48 A HA 0.565 4.885 4.320 -0.000 0.000 0.302 48 A C -0.440 177.146 177.584 0.003 0.000 1.266 48 A CA -0.522 51.505 52.037 -0.018 0.000 0.894 48 A CB 0.043 19.029 19.000 -0.024 0.000 1.147 48 A HN 0.610 nan 8.150 nan 0.000 0.537 49 L N 2.690 123.925 121.223 0.020 0.000 2.325 49 L HA 0.458 4.798 4.340 -0.000 0.000 0.279 49 L C 1.061 177.965 176.870 0.058 0.000 1.054 49 L CA 0.425 55.303 54.840 0.064 0.000 0.804 49 L CB 1.650 43.791 42.059 0.136 0.000 1.200 49 L HN 0.828 nan 8.230 nan 0.000 0.436 50 S N 1.278 117.020 115.700 0.070 0.000 2.608 50 S HA 0.120 4.590 4.470 -0.000 0.000 0.261 50 S C 0.704 175.367 174.600 0.106 0.000 1.314 50 S CA -0.508 57.730 58.200 0.065 0.000 0.992 50 S CB 0.485 63.719 63.200 0.056 0.000 0.935 50 S HN 0.633 nan 8.310 nan 0.000 0.564 51 D N 1.318 121.772 120.400 0.090 0.000 2.104 51 D HA -0.094 4.546 4.640 -0.000 0.000 0.194 51 D C 2.265 178.659 176.300 0.156 0.000 0.994 51 D CA 1.811 55.889 54.000 0.129 0.000 0.830 51 D CB -0.912 39.941 40.800 0.089 0.000 0.959 51 D HN 0.691 nan 8.370 nan 0.000 0.452 52 A N 1.105 123.989 122.820 0.106 0.000 1.865 52 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 52 A C 2.178 179.819 177.584 0.095 0.000 1.191 52 A CA 1.713 53.802 52.037 0.087 0.000 0.623 52 A CB -0.798 18.238 19.000 0.061 0.000 0.826 52 A HN 0.225 nan 8.150 nan 0.000 0.444 53 Q N -2.171 117.693 119.800 0.106 0.000 2.112 53 Q HA -0.239 4.101 4.340 -0.000 0.000 0.206 53 Q C 2.040 178.126 176.000 0.144 0.000 0.987 53 Q CA 2.012 57.879 55.803 0.107 0.000 0.858 53 Q CB -0.355 28.453 28.738 0.115 0.000 0.905 53 Q HN 0.823 nan 8.270 nan 0.000 0.420 54 Y N 1.548 121.896 120.300 0.080 0.000 2.293 54 Y HA -0.157 4.393 4.550 -0.000 0.000 0.291 54 Y C 1.763 177.733 175.900 0.116 0.000 1.137 54 Y CA 1.142 59.318 58.100 0.126 0.000 1.202 54 Y CB 0.012 38.546 38.460 0.124 0.000 0.990 54 Y HN 0.134 nan 8.280 nan 0.000 0.537 55 N N 0.447 119.206 118.700 0.098 0.000 2.106 55 N HA -0.196 4.544 4.740 -0.000 0.000 0.188 55 N C 1.904 177.385 175.510 -0.047 0.000 1.029 55 N CA 1.551 54.617 53.050 0.027 0.000 0.848 55 N CB -0.559 37.977 38.487 0.081 0.000 1.007 55 N HN 0.610 nan 8.380 nan 0.000 0.423 56 E N 1.075 121.258 120.200 -0.029 0.000 2.038 56 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 56 E C 1.838 178.346 176.600 -0.152 0.000 1.000 56 E CA 1.450 57.817 56.400 -0.055 0.000 0.803 56 E CB -0.111 29.575 29.700 -0.022 0.000 0.750 56 E HN 0.285 nan 8.360 nan 0.000 0.448 57 A N 0.746 123.432 122.820 -0.223 0.000 1.933 57 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 57 A C 2.035 179.149 177.584 -0.783 0.000 1.175 57 A CA 1.777 53.540 52.037 -0.457 0.000 0.628 57 A CB -0.794 17.972 19.000 -0.391 0.000 0.814 57 A HN 0.345 nan 8.150 nan 0.000 0.444 58 N N -0.252 118.084 118.700 -0.605 0.000 2.142 58 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 58 N C 1.779 177.245 175.510 -0.073 0.000 1.023 58 N CA 1.401 54.223 53.050 -0.379 0.000 0.852 58 N CB -0.209 38.174 38.487 -0.174 0.000 0.998 58 N HN 0.346 nan 8.380 nan 0.000 0.424 59 K N 0.569 120.946 120.400 -0.040 0.000 2.026 59 K HA -0.060 4.260 4.320 -0.000 0.000 0.208 59 K C 2.014 178.605 176.600 -0.015 0.000 1.048 59 K CA 0.909 57.227 56.287 0.051 0.000 0.929 59 K CB -0.362 32.153 32.500 0.025 0.000 0.713 59 K HN 0.265 nan 8.250 nan 0.000 0.439 60 I N -0.058 120.428 120.570 -0.139 0.000 2.179 60 I HA -0.318 3.852 4.170 -0.000 0.000 0.242 60 I C 2.389 178.344 176.117 -0.271 0.000 1.088 60 I CA 1.271 62.451 61.300 -0.200 0.000 1.357 60 I CB -0.426 37.419 38.000 -0.257 0.000 1.051 60 I HN 0.164 nan 8.210 nan 0.000 0.409 61 Y N 1.273 121.291 120.300 -0.469 0.000 2.097 61 Y HA -0.315 4.235 4.550 -0.000 0.000 0.282 61 Y C 2.228 177.893 175.900 -0.393 0.000 1.152 61 Y CA 1.840 59.623 58.100 -0.529 0.000 1.136 61 Y CB -0.477 37.516 38.460 -0.779 0.000 0.975 61 Y HN -0.007 nan 8.280 nan 0.000 0.498 62 F N 0.255 120.173 119.950 -0.054 0.000 2.293 62 F HA -0.076 4.451 4.527 -0.000 0.000 0.300 62 F C 2.519 178.274 175.800 -0.075 0.000 1.086 62 F CA 1.641 59.623 58.000 -0.030 0.000 1.375 62 F CB -0.510 38.570 39.000 0.133 0.000 1.045 62 F HN 0.209 nan 8.300 nan 0.000 0.516 63 E N -0.240 119.996 120.200 0.059 0.000 2.190 63 E HA -0.061 4.289 4.350 -0.000 0.000 0.191 63 E C 1.858 178.443 176.600 -0.026 0.000 0.978 63 E CA 0.530 56.956 56.400 0.044 0.000 0.839 63 E CB 0.227 29.973 29.700 0.076 0.000 0.787 63 E HN 0.135 nan 8.360 nan 0.000 0.473 64 R N -1.597 118.816 120.500 -0.145 0.000 2.419 64 R HA 0.225 4.565 4.340 -0.000 0.000 0.235 64 R C 1.293 177.465 176.300 -0.214 0.000 0.899 64 R CA 0.380 56.389 56.100 -0.152 0.000 1.048 64 R CB 0.565 30.665 30.300 -0.332 0.000 1.182 64 R HN 0.190 nan 8.270 nan 0.000 0.544 65 C N -2.035 117.018 119.300 -0.411 0.000 2.937 65 C HA 0.434 4.894 4.460 -0.000 0.000 0.426 65 C C 2.340 177.089 174.990 -0.401 0.000 1.321 65 C CA 0.016 58.803 59.018 -0.385 0.000 2.082 65 C CB 0.130 27.523 27.740 -0.579 0.000 2.834 65 C HN 0.441 nan 8.230 nan 0.000 0.593 66 A N 1.678 124.111 122.820 -0.646 0.000 2.076 66 A HA 0.067 4.387 4.320 -0.000 0.000 0.220 66 A C 2.248 179.810 177.584 -0.036 0.000 1.160 66 A CA 2.049 53.924 52.037 -0.269 0.000 0.653 66 A CB -1.117 17.852 19.000 -0.052 0.000 0.801 66 A HN 0.605 nan 8.150 nan 0.000 0.455 67 G N -1.647 107.129 108.800 -0.040 0.000 2.448 67 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.219 67 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.219 67 G C 1.285 176.179 174.900 -0.009 0.000 1.127 67 G CA 1.461 46.561 45.100 0.000 0.000 0.766 67 G HN 0.549 nan 8.290 nan 0.000 0.552 68 C N -1.518 117.754 119.300 -0.047 0.000 3.270 68 C HA 0.348 4.808 4.460 -0.000 0.000 0.369 68 C C 1.714 176.572 174.990 -0.221 0.000 1.326 68 C CA -0.311 58.624 59.018 -0.139 0.000 1.846 68 C CB -0.316 27.290 27.740 -0.224 0.000 2.534 68 C HN 0.478 nan 8.230 nan 0.000 0.649 69 H N 0.762 119.872 119.070 0.066 0.000 2.586 69 H HA 0.315 4.871 4.556 -0.000 0.000 0.273 69 H C 1.273 176.688 175.328 0.145 0.000 0.997 69 H CA 1.200 57.318 56.048 0.116 0.000 1.177 69 H CB 0.298 30.162 29.762 0.169 0.000 1.471 69 H HN 0.522 nan 8.280 nan 0.000 0.538 70 G N 0.420 109.341 108.800 0.203 0.000 2.705 70 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.686 70 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.686 70 G C 0.706 175.756 174.900 0.250 0.000 1.285 70 G CA -0.054 45.163 45.100 0.194 0.000 0.800 70 G HN 0.185 nan 8.290 nan 0.000 0.611 71 V N 1.675 121.711 119.914 0.203 0.000 2.759 71 V HA 0.070 4.190 4.120 -0.000 0.000 0.256 71 V C 2.182 178.439 176.094 0.272 0.000 1.080 71 V CA 2.365 64.829 62.300 0.272 0.000 1.101 71 V CB -0.328 31.479 31.823 -0.028 0.000 0.698 71 V HN 0.533 nan 8.190 nan 0.000 0.477 72 L N -0.226 121.070 121.223 0.121 0.000 2.857 72 L HA 0.384 4.724 4.340 -0.000 0.000 0.249 72 L C 1.050 177.951 176.870 0.052 0.000 1.172 72 L CA -0.096 54.780 54.840 0.061 0.000 0.980 72 L CB 0.062 42.115 42.059 -0.011 0.000 1.299 72 L HN 0.239 nan 8.230 nan 0.000 0.535 73 R N -0.803 119.774 120.500 0.127 0.000 3.951 73 R HA -0.208 4.132 4.340 -0.000 0.000 0.352 73 R C 0.806 177.161 176.300 0.091 0.000 1.178 73 R CA 0.746 56.914 56.100 0.114 0.000 0.949 73 R CB -1.957 28.308 30.300 -0.058 0.000 1.452 73 R HN 0.381 nan 8.270 nan 0.000 0.540 74 K N 1.116 121.570 120.400 0.091 0.000 2.459 74 K HA 0.102 4.422 4.320 -0.000 0.000 0.193 74 K C 1.047 177.705 176.600 0.097 0.000 1.030 74 K CA 0.771 57.100 56.287 0.071 0.000 1.026 74 K CB 0.449 32.979 32.500 0.051 0.000 0.809 74 K HN 0.534 nan 8.250 nan 0.000 0.504 75 G N -0.095 108.793 108.800 0.146 0.000 2.662 75 G HA2 0.077 4.037 3.960 -0.000 0.000 0.686 75 G HA3 0.077 4.037 3.960 -0.000 0.000 0.686 75 G C -0.406 174.563 174.900 0.116 0.000 1.271 75 G CA -0.552 44.640 45.100 0.154 0.000 0.816 75 G HN 0.270 nan 8.290 nan 0.000 0.608 76 A N -1.140 121.731 122.820 0.084 0.000 1.560 76 A HA 0.847 5.167 4.320 -0.000 0.000 0.162 76 A C 2.077 179.689 177.584 0.047 0.000 1.499 76 A CA 1.274 53.355 52.037 0.073 0.000 2.670 76 A CB -0.681 18.363 19.000 0.073 0.000 2.896 76 A HN 2.429 nan 8.150 nan 0.000 1.269 77 T N -1.199 113.362 114.554 0.012 0.000 3.014 77 T HA 0.371 4.721 4.350 -0.000 0.000 0.263 77 T C 1.056 175.749 174.700 -0.011 0.000 1.078 77 T CA 1.144 63.260 62.100 0.025 0.000 1.135 77 T CB -0.544 68.345 68.868 0.035 0.000 0.895 77 T HN 1.196 nan 8.240 nan 0.000 0.480 78 G N 0.898 109.622 108.800 -0.126 0.000 2.425 78 G HA2 0.521 4.481 3.960 -0.000 0.000 0.302 78 G HA3 0.521 4.481 3.960 -0.000 0.000 0.302 78 G C -0.580 174.358 174.900 0.063 0.000 1.159 78 G CA -0.936 44.040 45.100 -0.207 0.000 0.865 78 G HN 0.330 nan 8.290 nan 0.000 0.515 79 K N 0.002 120.532 120.400 0.216 0.000 2.344 79 K HA 0.312 4.632 4.320 -0.000 0.000 0.260 79 K C 0.833 177.596 176.600 0.271 0.000 0.988 79 K CA 0.109 56.517 56.287 0.203 0.000 0.909 79 K CB 0.486 33.067 32.500 0.135 0.000 0.968 79 K HN 0.577 nan 8.250 nan 0.000 0.505 80 A N 2.093 124.994 122.820 0.135 0.000 2.462 80 A HA 0.173 4.493 4.320 -0.000 0.000 0.243 80 A C 0.268 177.874 177.584 0.036 0.000 1.076 80 A CA -0.052 52.044 52.037 0.098 0.000 0.773 80 A CB -0.107 18.921 19.000 0.046 0.000 1.010 80 A HN 0.684 nan 8.150 nan 0.000 0.493 81 L N 2.675 123.898 121.223 0.001 0.000 3.218 81 L HA 0.153 4.493 4.340 -0.000 0.000 0.279 81 L C 0.550 177.363 176.870 -0.094 0.000 1.287 81 L CA -0.277 54.514 54.840 -0.081 0.000 1.024 81 L CB -0.203 41.756 42.059 -0.166 0.000 1.409 81 L HN 0.864 nan 8.230 nan 0.000 0.580 82 T N -2.948 111.567 114.554 -0.066 0.000 2.918 82 T HA 0.159 4.509 4.350 -0.000 0.000 0.302 82 T C -1.366 173.284 174.700 -0.083 0.000 1.045 82 T CA -1.445 60.608 62.100 -0.078 0.000 1.114 82 T CB 0.935 69.772 68.868 -0.052 0.000 0.965 82 T HN -0.020 nan 8.240 nan 0.000 0.540 83 P HA -0.134 nan 4.420 nan 0.000 0.223 83 P C 1.065 178.326 177.300 -0.065 0.000 1.144 83 P CA 1.045 64.096 63.100 -0.081 0.000 0.783 83 P CB 0.046 31.694 31.700 -0.087 0.000 0.771 84 D N -0.283 120.082 120.400 -0.059 0.000 2.269 84 D HA -0.104 4.536 4.640 -0.000 0.000 0.208 84 D C 1.892 178.158 176.300 -0.057 0.000 0.963 84 D CA 0.773 54.742 54.000 -0.051 0.000 0.864 84 D CB -0.732 40.042 40.800 -0.043 0.000 0.936 84 D HN 0.261 nan 8.370 nan 0.000 0.505 85 L N 0.444 121.627 121.223 -0.066 0.000 2.362 85 L HA 0.009 4.349 4.340 -0.000 0.000 0.204 85 L C 2.792 179.600 176.870 -0.103 0.000 1.060 85 L CA 1.090 55.882 54.840 -0.081 0.000 0.827 85 L CB -0.388 41.626 42.059 -0.075 0.000 1.027 85 L HN 0.086 nan 8.230 nan 0.000 0.474 86 T N -2.326 112.173 114.554 -0.091 0.000 2.821 86 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 86 T C 2.000 176.660 174.700 -0.066 0.000 1.046 86 T CA 0.880 62.928 62.100 -0.086 0.000 1.139 86 T CB -0.256 68.573 68.868 -0.066 0.000 0.871 86 T HN 0.108 nan 8.240 nan 0.000 0.454 87 R N 0.980 121.448 120.500 -0.053 0.000 2.120 87 R HA -0.042 4.298 4.340 -0.000 0.000 0.234 87 R C 2.341 178.616 176.300 -0.041 0.000 1.123 87 R CA 1.572 57.653 56.100 -0.033 0.000 0.975 87 R CB -0.257 30.024 30.300 -0.032 0.000 0.866 87 R HN 0.487 nan 8.270 nan 0.000 0.446 88 D N 0.034 120.393 120.400 -0.070 0.000 2.183 88 D HA -0.080 4.560 4.640 -0.000 0.000 0.203 88 D C 1.781 178.007 176.300 -0.123 0.000 0.969 88 D CA 0.878 54.829 54.000 -0.083 0.000 0.842 88 D CB 0.241 40.985 40.800 -0.093 0.000 0.957 88 D HN 0.223 nan 8.370 nan 0.000 0.484 89 L N 0.152 121.266 121.223 -0.183 0.000 2.072 89 L HA 0.075 4.415 4.340 -0.000 0.000 0.205 89 L C 1.359 178.166 176.870 -0.106 0.000 1.079 89 L CA 0.692 55.338 54.840 -0.324 0.000 0.752 89 L CB -0.512 41.239 42.059 -0.513 0.000 0.906 89 L HN 0.067 nan 8.230 nan 0.000 0.436 90 G N -1.341 107.454 108.800 -0.008 0.000 2.730 90 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.686 90 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.686 90 G C -0.013 174.992 174.900 0.176 0.000 1.343 90 G CA -0.066 45.092 45.100 0.095 0.000 0.826 90 G HN 0.088 nan 8.290 nan 0.000 0.582 91 F N 0.963 120.956 119.950 0.072 0.000 2.027 91 F HA -0.165 4.362 4.527 -0.000 0.000 0.297 91 F C 2.469 178.344 175.800 0.124 0.000 1.129 91 F CA 2.913 60.964 58.000 0.085 0.000 1.195 91 F CB -0.184 38.853 39.000 0.061 0.000 0.960 91 F HN 0.551 nan 8.300 nan 0.000 0.485 92 D N -0.774 119.760 120.400 0.223 0.000 2.133 92 D HA -0.297 4.343 4.640 -0.000 0.000 0.192 92 D C 2.016 178.362 176.300 0.077 0.000 1.001 92 D CA 2.042 56.115 54.000 0.121 0.000 0.844 92 D CB -1.026 39.898 40.800 0.208 0.000 0.944 92 D HN 0.494 nan 8.370 nan 0.000 0.447 93 Y N 1.194 121.514 120.300 0.034 0.000 2.145 93 Y HA -0.158 4.392 4.550 -0.000 0.000 0.286 93 Y C 2.288 178.237 175.900 0.080 0.000 1.145 93 Y CA 1.316 59.466 58.100 0.083 0.000 1.148 93 Y CB -0.412 38.082 38.460 0.056 0.000 0.981 93 Y HN -0.067 nan 8.280 nan 0.000 0.507 94 L N 0.046 121.401 121.223 0.220 0.000 2.046 94 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 94 L C 2.704 179.547 176.870 -0.044 0.000 1.077 94 L CA 1.859 56.758 54.840 0.097 0.000 0.747 94 L CB -0.791 41.277 42.059 0.014 0.000 0.896 94 L HN 0.305 nan 8.230 nan 0.000 0.432 95 Q N -0.296 119.352 119.800 -0.252 0.000 2.061 95 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 95 Q C 2.395 178.329 176.000 -0.110 0.000 0.984 95 Q CA 2.169 57.795 55.803 -0.294 0.000 0.846 95 Q CB -0.051 28.359 28.738 -0.547 0.000 0.902 95 Q HN 0.397 nan 8.270 nan 0.000 0.421 96 S N -0.560 115.118 115.700 -0.037 0.000 2.353 96 S HA -0.150 4.320 4.470 -0.000 0.000 0.222 96 S C 1.657 176.273 174.600 0.025 0.000 1.035 96 S CA 1.258 59.486 58.200 0.047 0.000 1.025 96 S CB -0.433 62.790 63.200 0.038 0.000 0.902 96 S HN 0.478 nan 8.310 nan 0.000 0.440 97 F N 1.540 121.422 119.950 -0.114 0.000 2.126 97 F HA 0.021 4.548 4.527 -0.000 0.000 0.299 97 F C 2.061 177.873 175.800 0.021 0.000 1.096 97 F CA 1.270 59.232 58.000 -0.063 0.000 1.255 97 F CB -0.336 38.598 39.000 -0.111 0.000 0.997 97 F HN 0.236 nan 8.300 nan 0.000 0.479 98 I N -1.186 119.486 120.570 0.170 0.000 2.493 98 I HA -0.251 3.919 4.170 -0.000 0.000 0.254 98 I C 2.094 178.272 176.117 0.101 0.000 1.160 98 I CA 1.267 62.671 61.300 0.173 0.000 1.445 98 I CB -0.690 37.355 38.000 0.075 0.000 1.086 98 I HN 0.105 nan 8.210 nan 0.000 0.433 99 T N -0.304 114.203 114.554 -0.079 0.000 2.770 99 T HA -0.114 4.236 4.350 -0.000 0.000 0.258 99 T C 1.489 175.948 174.700 -0.402 0.000 1.039 99 T CA 1.468 63.387 62.100 -0.302 0.000 1.143 99 T CB -0.269 68.242 68.868 -0.594 0.000 0.866 99 T HN 0.234 nan 8.240 nan 0.000 0.428 100 Y N 1.082 121.324 120.300 -0.097 0.000 2.478 100 Y HA 0.414 4.964 4.550 -0.000 0.000 0.261 100 Y C 1.796 177.591 175.900 -0.175 0.000 1.127 100 Y CA -0.152 57.862 58.100 -0.143 0.000 1.288 100 Y CB -0.444 37.896 38.460 -0.201 0.000 1.084 100 Y HN 0.426 nan 8.280 nan 0.000 0.530 101 G N 0.670 109.439 108.800 -0.051 0.000 2.645 101 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.246 101 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.246 101 G C -0.315 174.499 174.900 -0.143 0.000 1.322 101 G CA -0.052 45.012 45.100 -0.061 0.000 0.898 101 G HN 0.652 nan 8.290 nan 0.000 0.573 102 S N -0.722 114.948 115.700 -0.049 0.000 2.533 102 S HA 0.711 5.181 4.470 -0.000 0.000 0.271 102 S C -1.956 172.650 174.600 0.009 0.000 1.143 102 S CA -0.053 58.132 58.200 -0.026 0.000 0.891 102 S CB 2.090 65.378 63.200 0.147 0.000 1.105 102 S HN 0.468 nan 8.310 nan 0.000 0.468 103 P HA 0.098 nan 4.420 nan 0.000 0.226 103 P C 0.838 178.165 177.300 0.046 0.000 1.146 103 P CA 0.981 64.091 63.100 0.018 0.000 0.773 103 P CB 0.039 31.746 31.700 0.010 0.000 0.772 104 A N -1.097 121.763 122.820 0.066 0.000 2.278 104 A HA 0.477 4.797 4.320 -0.000 0.000 0.212 104 A C 1.610 179.249 177.584 0.090 0.000 1.213 104 A CA 0.826 52.912 52.037 0.082 0.000 0.840 104 A CB -0.866 18.188 19.000 0.091 0.000 0.866 104 A HN 0.271 nan 8.150 nan 0.000 0.489 105 G N -2.133 106.709 108.800 0.070 0.000 2.485 105 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.181 105 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.181 105 G C 0.038 174.942 174.900 0.006 0.000 0.999 105 G CA 0.076 45.210 45.100 0.057 0.000 0.721 105 G HN 0.549 nan 8.290 nan 0.000 0.486 106 M N 2.741 122.356 119.600 0.025 0.000 2.113 106 M HA 0.677 5.157 4.480 -0.000 0.000 0.352 106 M C -2.526 173.676 176.300 -0.163 0.000 1.170 106 M CA -2.974 52.337 55.300 0.019 0.000 1.053 106 M CB 0.941 33.661 32.600 0.200 0.000 1.601 106 M HN -0.083 nan 8.290 nan 0.000 0.459 107 P HA 0.102 nan 4.420 nan 0.000 0.268 107 P C -1.016 175.898 177.300 -0.643 0.000 1.208 107 P CA 0.058 62.629 63.100 -0.882 0.000 0.777 107 P CB 0.238 30.777 31.700 -1.936 0.000 0.875 108 N N 1.980 120.401 118.700 -0.464 0.000 3.188 108 N HA 0.004 4.744 4.740 -0.000 0.000 0.279 108 N C 0.343 175.720 175.510 -0.221 0.000 1.213 108 N CA -0.410 52.498 53.050 -0.237 0.000 1.138 108 N CB -0.596 37.820 38.487 -0.119 0.000 1.417 108 N HN 0.461 nan 8.380 nan 0.000 0.526 109 W N 1.477 122.740 121.300 -0.061 0.000 2.304 109 W HA -0.118 4.542 4.660 -0.000 0.000 0.315 109 W C 2.263 178.754 176.519 -0.047 0.000 1.233 109 W CA 1.622 58.945 57.345 -0.036 0.000 1.261 109 W CB -0.561 28.878 29.460 -0.035 0.000 1.150 109 W HN 0.494 nan 8.180 nan 0.000 0.494 110 G N -1.361 107.504 108.800 0.108 0.000 2.425 110 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.213 110 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.213 110 G C 1.381 176.254 174.900 -0.045 0.000 1.201 110 G CA 1.445 46.544 45.100 -0.002 0.000 0.799 110 G HN 0.152 nan 8.290 nan 0.000 0.534 111 T N 1.100 115.592 114.554 -0.104 0.000 2.977 111 T HA -0.086 4.264 4.350 -0.000 0.000 0.271 111 T C 2.604 177.292 174.700 -0.020 0.000 1.105 111 T CA 1.702 63.763 62.100 -0.066 0.000 1.116 111 T CB -0.210 68.623 68.868 -0.058 0.000 0.878 111 T HN 0.475 nan 8.240 nan 0.000 0.509 112 S N -0.478 115.212 115.700 -0.016 0.000 2.548 112 S HA 0.373 4.843 4.470 -0.000 0.000 0.215 112 S C 1.866 176.484 174.600 0.029 0.000 0.976 112 S CA 0.632 58.832 58.200 -0.001 0.000 0.908 112 S CB 0.129 63.314 63.200 -0.025 0.000 0.781 112 S HN 0.587 nan 8.310 nan 0.000 0.519 113 G N 1.435 110.261 108.800 0.042 0.000 2.179 113 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 113 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 113 G C 0.787 175.743 174.900 0.095 0.000 0.977 113 G CA 0.459 45.593 45.100 0.056 0.000 0.641 113 G HN 0.442 nan 8.290 nan 0.000 0.533 114 E N -0.275 120.013 120.200 0.147 0.000 2.110 114 E HA 0.053 4.403 4.350 -0.000 0.000 0.193 114 E C 1.452 178.192 176.600 0.233 0.000 0.988 114 E CA 0.847 57.389 56.400 0.237 0.000 0.804 114 E CB 0.015 29.952 29.700 0.396 0.000 0.745 114 E HN 0.631 nan 8.360 nan 0.000 0.458 115 L N 1.022 122.377 121.223 0.221 0.000 2.346 115 L HA 0.214 4.554 4.340 -0.000 0.000 0.276 115 L C 0.543 177.460 176.870 0.079 0.000 1.006 115 L CA -0.724 54.193 54.840 0.129 0.000 0.817 115 L CB 1.931 44.058 42.059 0.112 0.000 1.272 115 L HN -0.042 nan 8.230 nan 0.000 0.421 116 S N 1.631 117.361 115.700 0.050 0.000 2.626 116 S HA 0.295 4.765 4.470 -0.000 0.000 0.257 116 S C 1.180 175.797 174.600 0.028 0.000 1.288 116 S CA 0.082 58.303 58.200 0.037 0.000 0.980 116 S CB 1.345 64.564 63.200 0.032 0.000 0.975 116 S HN 0.707 nan 8.310 nan 0.000 0.577 117 A N 0.037 122.871 122.820 0.023 0.000 1.933 117 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 117 A C 2.173 179.780 177.584 0.037 0.000 1.175 117 A CA 1.649 53.698 52.037 0.021 0.000 0.628 117 A CB -1.204 17.810 19.000 0.022 0.000 0.814 117 A HN 0.992 nan 8.150 nan 0.000 0.444 118 E N -0.323 119.901 120.200 0.039 0.000 2.077 118 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 118 E C 2.157 178.783 176.600 0.043 0.000 0.989 118 E CA 1.416 57.844 56.400 0.047 0.000 0.800 118 E CB -0.141 29.582 29.700 0.039 0.000 0.746 118 E HN 0.767 nan 8.360 nan 0.000 0.452 119 Q N -0.187 119.628 119.800 0.025 0.000 2.167 119 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 119 Q C 2.281 178.278 176.000 -0.005 0.000 0.970 119 Q CA 1.264 57.069 55.803 0.002 0.000 0.855 119 Q CB 0.149 28.879 28.738 -0.013 0.000 0.911 119 Q HN 0.189 nan 8.270 nan 0.000 0.438 120 V N 1.583 121.501 119.914 0.006 0.000 2.287 120 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 120 V C 1.507 177.607 176.094 0.010 0.000 1.053 120 V CA 2.057 64.353 62.300 -0.007 0.000 1.027 120 V CB -0.434 31.381 31.823 -0.013 0.000 0.646 120 V HN 0.361 nan 8.190 nan 0.000 0.447 121 D N -0.337 120.109 120.400 0.077 0.000 2.117 121 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 121 D C 2.126 178.555 176.300 0.215 0.000 0.982 121 D CA 0.913 55.040 54.000 0.212 0.000 0.828 121 D CB -0.333 40.644 40.800 0.295 0.000 0.967 121 D HN 0.307 nan 8.370 nan 0.000 0.464 122 L N 0.254 121.552 121.223 0.125 0.000 2.013 122 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 122 L C 2.144 179.076 176.870 0.105 0.000 1.073 122 L CA 1.198 56.101 54.840 0.105 0.000 0.753 122 L CB -0.101 41.984 42.059 0.043 0.000 0.890 122 L HN 0.041 nan 8.230 nan 0.000 0.432 123 M N -0.863 118.756 119.600 0.032 0.000 2.175 123 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 123 M C 2.467 178.821 176.300 0.089 0.000 1.063 123 M CA 1.667 56.974 55.300 0.012 0.000 1.119 123 M CB -1.598 30.943 32.600 -0.098 0.000 1.377 123 M HN 0.331 nan 8.290 nan 0.000 0.415 124 A N 0.863 123.718 122.820 0.059 0.000 1.902 124 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 124 A C 2.094 179.790 177.584 0.186 0.000 1.181 124 A CA 1.729 53.779 52.037 0.022 0.000 0.623 124 A CB -0.683 18.153 19.000 -0.273 0.000 0.818 124 A HN 0.476 nan 8.150 nan 0.000 0.443 125 N N -1.522 117.359 118.700 0.301 0.000 2.171 125 N HA -0.143 4.597 4.740 -0.000 0.000 0.184 125 N C 1.612 177.239 175.510 0.195 0.000 1.021 125 N CA 1.580 54.795 53.050 0.275 0.000 0.854 125 N CB -0.610 38.020 38.487 0.238 0.000 0.994 125 N HN 0.672 nan 8.380 nan 0.000 0.426 126 Y N 1.971 122.314 120.300 0.071 0.000 2.128 126 Y HA -0.119 4.431 4.550 -0.000 0.000 0.284 126 Y C 2.136 178.019 175.900 -0.027 0.000 1.154 126 Y CA 1.439 59.562 58.100 0.038 0.000 1.149 126 Y CB -0.387 38.052 38.460 -0.034 0.000 0.976 126 Y HN -0.020 nan 8.280 nan 0.000 0.505 127 L N -0.150 121.108 121.223 0.058 0.000 2.353 127 L HA -0.218 4.122 4.340 -0.000 0.000 0.220 127 L C 2.088 178.894 176.870 -0.107 0.000 1.133 127 L CA 0.815 55.603 54.840 -0.085 0.000 0.798 127 L CB -0.455 41.590 42.059 -0.023 0.000 0.922 127 L HN 0.361 nan 8.230 nan 0.000 0.445 128 L N -0.782 120.417 121.223 -0.041 0.000 2.341 128 L HA 0.005 4.345 4.340 -0.000 0.000 0.214 128 L C 1.102 177.924 176.870 -0.080 0.000 1.115 128 L CA 0.173 54.995 54.840 -0.031 0.000 0.820 128 L CB -0.048 42.033 42.059 0.037 0.000 0.944 128 L HN 0.176 nan 8.230 nan 0.000 0.452 129 L N -0.889 120.255 121.223 -0.131 0.000 2.479 129 L HA 0.185 4.525 4.340 -0.000 0.000 0.249 129 L C -0.176 176.574 176.870 -0.199 0.000 1.178 129 L CA -0.784 53.964 54.840 -0.154 0.000 0.811 129 L CB 0.267 42.235 42.059 -0.153 0.000 1.187 129 L HN -0.109 nan 8.230 nan 0.000 0.480 130 D N 0.304 120.607 120.400 -0.161 0.000 2.382 130 D HA 0.195 4.835 4.640 -0.000 0.000 0.245 130 D C -2.206 173.995 176.300 -0.165 0.000 1.120 130 D CA -0.664 53.253 54.000 -0.140 0.000 0.890 130 D CB 0.445 41.189 40.800 -0.094 0.000 1.201 130 D HN 0.200 nan 8.370 nan 0.000 0.433 131 P HA 0.112 nan 4.420 nan 0.000 0.262 131 P C -0.893 176.396 177.300 -0.019 0.000 1.182 131 P CA 0.006 63.019 63.100 -0.145 0.000 0.761 131 P CB 0.505 32.149 31.700 -0.093 0.000 0.795 132 A N 3.431 126.293 122.820 0.071 0.000 2.296 132 A HA 0.578 4.898 4.320 -0.000 0.000 0.264 132 A C 0.284 178.021 177.584 0.254 0.000 1.097 132 A CA -0.141 52.047 52.037 0.253 0.000 0.811 132 A CB 0.042 19.306 19.000 0.439 0.000 1.072 132 A HN 0.571 nan 8.150 nan 0.000 0.495 133 A N 1.374 124.309 122.820 0.190 0.000 2.409 133 A HA 0.573 4.893 4.320 -0.000 0.000 0.267 133 A C -2.378 175.195 177.584 -0.019 0.000 1.127 133 A CA -1.320 50.768 52.037 0.085 0.000 0.795 133 A CB -0.674 18.369 19.000 0.072 0.000 1.061 133 A HN 0.568 nan 8.150 nan 0.000 0.502 134 P HA 0.161 nan 4.420 nan 0.000 0.264 134 P C -2.253 174.960 177.300 -0.145 0.000 1.193 134 P CA -0.364 62.465 63.100 -0.451 0.000 0.763 134 P CB 0.162 31.412 31.700 -0.749 0.000 0.810 135 P HA 0.231 nan 4.420 nan 0.000 0.278 135 P C -0.265 177.169 177.300 0.224 0.000 1.266 135 P CA -0.269 62.826 63.100 -0.008 0.000 0.807 135 P CB 0.967 32.599 31.700 -0.113 0.000 1.094 136 E N -0.245 120.035 120.200 0.132 0.000 2.312 136 E HA 0.384 4.734 4.350 -0.000 0.000 0.259 136 E C -1.035 175.649 176.600 0.140 0.000 1.122 136 E CA -0.281 56.161 56.400 0.071 0.000 0.922 136 E CB 0.429 30.134 29.700 0.009 0.000 1.109 136 E HN 0.414 nan 8.360 nan 0.000 0.442 137 F N 0.235 120.132 119.950 -0.089 0.000 3.094 137 F HA 0.367 4.894 4.527 -0.000 0.000 0.385 137 F C 0.189 175.941 175.800 -0.079 0.000 1.231 137 F CA -0.329 57.636 58.000 -0.058 0.000 1.207 137 F CB 0.609 39.583 39.000 -0.044 0.000 1.703 137 F HN 0.438 nan 8.300 nan 0.000 0.610 138 G N 2.126 110.816 108.800 -0.183 0.000 2.574 138 G HA2 0.230 4.190 3.960 -0.000 0.000 0.248 138 G HA3 0.230 4.190 3.960 -0.000 0.000 0.248 138 G C 0.759 175.548 174.900 -0.185 0.000 1.422 138 G CA -0.404 44.609 45.100 -0.146 0.000 1.051 138 G HN 0.518 nan 8.290 nan 0.000 0.560 139 M N -0.330 119.189 119.600 -0.134 0.000 2.159 139 M HA 0.019 4.499 4.480 -0.000 0.000 0.263 139 M C 2.299 178.522 176.300 -0.127 0.000 1.063 139 M CA 1.830 57.059 55.300 -0.118 0.000 1.110 139 M CB -0.433 32.112 32.600 -0.091 0.000 1.374 139 M HN 0.593 nan 8.290 nan 0.000 0.411 140 K N -0.541 119.775 120.400 -0.140 0.000 2.057 140 K HA -0.204 4.116 4.320 -0.000 0.000 0.207 140 K C 1.621 178.113 176.600 -0.180 0.000 1.049 140 K CA 1.930 58.142 56.287 -0.124 0.000 0.931 140 K CB -0.029 32.409 32.500 -0.103 0.000 0.714 140 K HN 0.347 nan 8.250 nan 0.000 0.440 141 E N 0.367 120.350 120.200 -0.361 0.000 2.072 141 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 141 E C 1.975 178.315 176.600 -0.433 0.000 0.982 141 E CA 1.430 57.482 56.400 -0.581 0.000 0.803 141 E CB -0.067 28.840 29.700 -1.322 0.000 0.755 141 E HN 0.311 nan 8.360 nan 0.000 0.453 142 M N 0.143 119.553 119.600 -0.317 0.000 2.117 142 M HA -0.128 4.352 4.480 -0.000 0.000 0.262 142 M C 2.145 178.502 176.300 0.095 0.000 1.065 142 M CA 1.512 56.843 55.300 0.052 0.000 1.114 142 M CB -0.267 32.371 32.600 0.062 0.000 1.361 142 M HN -0.010 nan 8.290 nan 0.000 0.408 143 R N 0.223 120.750 120.500 0.045 0.000 2.115 143 R HA -0.116 4.224 4.340 -0.000 0.000 0.230 143 R C 1.914 178.330 176.300 0.193 0.000 1.111 143 R CA 1.159 57.365 56.100 0.178 0.000 0.976 143 R CB -0.303 30.076 30.300 0.132 0.000 0.870 143 R HN 0.517 nan 8.270 nan 0.000 0.445 144 E N 0.240 120.492 120.200 0.086 0.000 2.150 144 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 144 E C 1.851 178.518 176.600 0.111 0.000 0.985 144 E CA 1.501 57.944 56.400 0.073 0.000 0.814 144 E CB 0.102 29.815 29.700 0.023 0.000 0.752 144 E HN 0.302 nan 8.360 nan 0.000 0.466 145 S N -0.199 115.598 115.700 0.162 0.000 2.558 145 S HA -0.069 4.401 4.470 -0.000 0.000 0.217 145 S C 0.280 175.014 174.600 0.223 0.000 0.975 145 S CA -0.553 57.762 58.200 0.191 0.000 0.912 145 S CB -0.181 63.174 63.200 0.259 0.000 0.776 145 S HN 0.304 nan 8.310 nan 0.000 0.526 146 W N 3.460 124.774 121.300 0.023 0.000 2.446 146 W HA 0.565 5.225 4.660 -0.000 0.000 0.316 146 W C -0.829 175.661 176.519 -0.048 0.000 1.376 146 W CA -0.952 56.388 57.345 -0.008 0.000 1.300 146 W CB 0.083 29.538 29.460 -0.009 0.000 1.351 146 W HN -0.081 nan 8.180 nan 0.000 0.530 147 K N 4.438 124.670 120.400 -0.279 0.000 2.471 147 K HA 0.470 4.790 4.320 -0.000 0.000 0.252 147 K C -1.373 174.826 176.600 -0.668 0.000 0.938 147 K CA -0.766 55.205 56.287 -0.527 0.000 0.796 147 K CB 2.055 34.338 32.500 -0.362 0.000 1.161 147 K HN 0.129 nan 8.250 nan 0.000 0.425 148 V N 4.891 124.392 119.914 -0.689 0.000 2.311 148 V HA 0.169 4.289 4.120 -0.000 0.000 0.275 148 V C 0.655 176.541 176.094 -0.348 0.000 1.022 148 V CA -0.628 61.397 62.300 -0.458 0.000 0.830 148 V CB 0.759 32.368 31.823 -0.357 0.000 1.012 148 V HN 0.807 nan 8.190 nan 0.000 0.452 149 H N 3.061 122.077 119.070 -0.090 0.000 2.403 149 H HA 0.128 4.684 4.556 -0.000 0.000 0.298 149 H C 0.421 175.719 175.328 -0.050 0.000 1.059 149 H CA 1.056 57.065 56.048 -0.064 0.000 1.363 149 H CB 0.630 30.367 29.762 -0.041 0.000 1.410 149 H HN 0.398 nan 8.280 nan 0.000 0.528 150 V N 1.603 121.556 119.914 0.064 0.000 2.385 150 V HA 0.437 4.557 4.120 -0.000 0.000 0.277 150 V C 0.189 176.288 176.094 0.009 0.000 1.012 150 V CA -0.974 61.347 62.300 0.036 0.000 0.832 150 V CB 0.981 32.834 31.823 0.050 0.000 1.028 150 V HN 0.357 nan 8.190 nan 0.000 0.436 151 A N 6.633 129.448 122.820 -0.009 0.000 2.555 151 A HA 0.367 4.687 4.320 -0.000 0.000 0.233 151 A C -1.049 176.544 177.584 0.014 0.000 1.060 151 A CA -0.407 51.624 52.037 -0.010 0.000 0.759 151 A CB -0.061 18.929 19.000 -0.017 0.000 0.995 151 A HN 0.649 nan 8.150 nan 0.000 0.506 152 P HA -0.183 nan 4.420 nan 0.000 0.216 152 P C 0.854 178.179 177.300 0.042 0.000 1.153 152 P CA 1.693 64.815 63.100 0.036 0.000 0.858 152 P CB 0.035 31.750 31.700 0.024 0.000 0.789 153 E N -0.846 119.371 120.200 0.028 0.000 2.401 153 E HA -0.140 4.210 4.350 -0.000 0.000 0.199 153 E C 0.525 177.142 176.600 0.028 0.000 1.023 153 E CA 0.742 57.158 56.400 0.027 0.000 0.859 153 E CB -0.383 29.327 29.700 0.017 0.000 0.780 153 E HN 0.419 nan 8.360 nan 0.000 0.523 154 D N -0.101 120.317 120.400 0.030 0.000 2.433 154 D HA 0.084 4.724 4.640 -0.000 0.000 0.211 154 D C 0.332 176.656 176.300 0.040 0.000 1.114 154 D CA 0.046 54.063 54.000 0.028 0.000 0.837 154 D CB 0.528 41.339 40.800 0.018 0.000 0.984 154 D HN 0.040 nan 8.370 nan 0.000 0.505 155 R N 1.394 121.929 120.500 0.059 0.000 2.543 155 R HA 0.403 4.743 4.340 -0.000 0.000 0.268 155 R C -2.238 174.120 176.300 0.095 0.000 1.067 155 R CA -1.413 54.736 56.100 0.080 0.000 1.142 155 R CB -0.020 30.346 30.300 0.110 0.000 1.110 155 R HN -0.134 nan 8.270 nan 0.000 0.549 156 P HA -0.030 nan 4.420 nan 0.000 0.270 156 P C 0.336 177.757 177.300 0.202 0.000 1.227 156 P CA 0.171 63.345 63.100 0.123 0.000 0.788 156 P CB 0.467 32.242 31.700 0.125 0.000 0.926 157 T N -3.510 111.130 114.554 0.144 0.000 3.023 157 T HA 0.162 4.512 4.350 -0.000 0.000 0.253 157 T C 0.363 175.146 174.700 0.139 0.000 1.038 157 T CA -0.127 62.082 62.100 0.182 0.000 0.962 157 T CB -0.147 68.774 68.868 0.087 0.000 1.018 157 T HN 0.647 nan 8.240 nan 0.000 0.521 158 Q N -0.019 119.710 119.800 -0.117 0.000 2.522 158 Q HA 0.358 4.698 4.340 -0.000 0.000 0.285 158 Q C -1.311 174.136 176.000 -0.921 0.000 0.982 158 Q CA -1.158 54.193 55.803 -0.753 0.000 0.805 158 Q CB 1.083 29.546 28.738 -0.459 0.000 1.457 158 Q HN 0.138 nan 8.270 nan 0.000 0.394 159 Q N 0.537 119.422 119.800 -1.525 0.000 2.269 159 Q HA -0.094 4.246 4.340 -0.000 0.000 0.300 159 Q C -0.329 175.395 176.000 -0.460 0.000 1.070 159 Q CA 0.959 56.158 55.803 -1.007 0.000 0.957 159 Q CB 0.474 28.720 28.738 -0.820 0.000 1.131 159 Q HN 0.724 nan 8.270 nan 0.000 0.377 160 E N 2.568 122.594 120.200 -0.290 0.000 2.538 160 E HA 0.054 4.404 4.350 -0.000 0.000 0.207 160 E C -0.765 175.715 176.600 -0.200 0.000 1.002 160 E CA -0.122 56.157 56.400 -0.201 0.000 0.952 160 E CB 0.428 30.047 29.700 -0.135 0.000 1.031 160 E HN 0.677 nan 8.360 nan 0.000 0.476 161 N N -0.635 117.911 118.700 -0.257 0.000 2.531 161 N HA 0.065 4.805 4.740 -0.000 0.000 0.290 161 N C 0.177 175.595 175.510 -0.153 0.000 1.257 161 N CA -0.678 52.192 53.050 -0.300 0.000 0.863 161 N CB 0.741 38.806 38.487 -0.704 0.000 1.320 161 N HN -0.194 nan 8.380 nan 0.000 0.538 162 D N -1.888 118.509 120.400 -0.005 0.000 2.349 162 D HA -0.002 4.638 4.640 -0.000 0.000 0.214 162 D C -0.590 175.862 176.300 0.255 0.000 1.063 162 D CA -0.312 53.754 54.000 0.110 0.000 0.847 162 D CB -0.087 40.791 40.800 0.130 0.000 0.933 162 D HN 0.368 nan 8.370 nan 0.000 0.513 163 W N 2.131 123.430 121.300 -0.000 0.000 2.187 163 W HA 0.156 4.816 4.660 -0.000 0.000 0.348 163 W C 0.935 177.464 176.519 0.016 0.000 1.282 163 W CA -0.798 56.556 57.345 0.015 0.000 1.271 163 W CB -0.147 29.334 29.460 0.035 0.000 1.170 163 W HN -0.106 nan 8.180 nan 0.000 0.583 164 D N 2.553 123.099 120.400 0.244 0.000 2.564 164 D HA 0.111 4.751 4.640 -0.000 0.000 0.226 164 D C 1.410 177.815 176.300 0.175 0.000 1.149 164 D CA 0.001 54.091 54.000 0.150 0.000 0.994 164 D CB -0.124 40.727 40.800 0.084 0.000 1.029 164 D HN 0.294 nan 8.370 nan 0.000 0.517 165 L N 1.372 122.723 121.223 0.214 0.000 2.011 165 L HA -0.273 4.067 4.340 -0.000 0.000 0.225 165 L C 2.058 179.029 176.870 0.169 0.000 1.084 165 L CA 1.563 56.535 54.840 0.220 0.000 0.791 165 L CB -0.445 41.749 42.059 0.226 0.000 0.898 165 L HN 0.370 nan 8.230 nan 0.000 0.440 166 E N -0.523 119.769 120.200 0.154 0.000 2.267 166 E HA -0.209 4.141 4.350 -0.000 0.000 0.197 166 E C 1.465 178.126 176.600 0.101 0.000 0.998 166 E CA 0.865 57.361 56.400 0.160 0.000 0.830 166 E CB -0.261 29.555 29.700 0.193 0.000 0.751 166 E HN 0.517 nan 8.360 nan 0.000 0.491 167 N N 0.365 119.110 118.700 0.075 0.000 2.235 167 N HA 0.072 4.812 4.740 -0.000 0.000 0.209 167 N C -0.200 175.354 175.510 0.073 0.000 1.122 167 N CA -0.246 52.833 53.050 0.049 0.000 0.845 167 N CB 0.432 38.959 38.487 0.067 0.000 1.004 167 N HN 0.020 nan 8.380 nan 0.000 0.499 168 L N 1.020 122.284 121.223 0.068 0.000 2.436 168 L HA 0.234 4.574 4.340 -0.000 0.000 0.265 168 L C -0.652 176.214 176.870 -0.007 0.000 1.168 168 L CA -0.078 54.827 54.840 0.108 0.000 0.815 168 L CB 0.451 42.594 42.059 0.140 0.000 1.109 168 L HN -0.025 nan 8.230 nan 0.000 0.462 169 F N 0.643 120.522 119.950 -0.118 0.000 2.427 169 F HA 0.225 4.752 4.527 -0.000 0.000 0.348 169 F C 0.436 176.219 175.800 -0.028 0.000 1.125 169 F CA -0.375 57.511 58.000 -0.189 0.000 0.989 169 F CB 1.842 40.548 39.000 -0.491 0.000 1.165 169 F HN 0.224 nan 8.300 nan 0.000 0.442 170 S N 3.605 119.389 115.700 0.141 0.000 2.411 170 S HA 0.608 5.078 4.470 -0.000 0.000 0.294 170 S C -0.719 173.992 174.600 0.186 0.000 1.115 170 S CA -0.448 57.854 58.200 0.170 0.000 1.071 170 S CB 0.030 63.334 63.200 0.172 0.000 0.967 170 S HN 0.346 nan 8.310 nan 0.000 0.488 171 V N 5.436 125.444 119.914 0.157 0.000 2.459 171 V HA 0.373 4.493 4.120 -0.000 0.000 0.295 171 V C 0.496 176.645 176.094 0.092 0.000 1.029 171 V CA -0.825 61.547 62.300 0.119 0.000 0.874 171 V CB 1.792 33.694 31.823 0.132 0.000 0.985 171 V HN 0.805 nan 8.190 nan 0.000 0.438 172 T N 6.648 121.241 114.554 0.064 0.000 2.814 172 T HA 0.412 4.762 4.350 -0.000 0.000 0.297 172 T C 0.086 174.793 174.700 0.011 0.000 0.956 172 T CA 0.099 62.226 62.100 0.045 0.000 1.123 172 T CB 0.045 68.932 68.868 0.031 0.000 0.902 172 T HN 0.415 nan 8.240 nan 0.000 0.528 173 L N 4.591 125.832 121.223 0.031 0.000 2.426 173 L HA 0.406 4.746 4.340 -0.000 0.000 0.255 173 L C 1.823 178.720 176.870 0.045 0.000 1.080 173 L CA -0.673 54.186 54.840 0.032 0.000 0.960 173 L CB 0.280 42.367 42.059 0.047 0.000 1.326 173 L HN 0.654 nan 8.230 nan 0.000 0.441 174 R N 1.221 121.734 120.500 0.023 0.000 2.168 174 R HA -0.227 4.113 4.340 -0.000 0.000 0.242 174 R C 0.747 177.113 176.300 0.111 0.000 1.123 174 R CA 2.450 58.581 56.100 0.053 0.000 0.928 174 R CB 0.150 30.451 30.300 0.001 0.000 0.873 174 R HN 0.555 nan 8.270 nan 0.000 0.434 175 D N -1.255 119.223 120.400 0.129 0.000 2.319 175 D HA 0.093 4.733 4.640 -0.000 0.000 0.230 175 D C 0.394 176.779 176.300 0.142 0.000 1.094 175 D CA 0.735 54.818 54.000 0.137 0.000 0.856 175 D CB 1.009 41.891 40.800 0.136 0.000 0.915 175 D HN 0.449 nan 8.370 nan 0.000 0.517 176 A N -0.499 122.396 122.820 0.125 0.000 2.382 176 A HA 0.490 4.810 4.320 -0.000 0.000 0.228 176 A C 1.644 179.270 177.584 0.069 0.000 1.217 176 A CA 0.501 52.601 52.037 0.106 0.000 0.923 176 A CB 0.261 19.301 19.000 0.067 0.000 0.979 176 A HN 0.132 nan 8.150 nan 0.000 0.515 177 G N -0.444 108.405 108.800 0.081 0.000 2.176 177 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.252 177 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.252 177 G C -0.082 174.799 174.900 -0.031 0.000 1.024 177 G CA 0.725 45.818 45.100 -0.011 0.000 0.755 177 G HN 0.674 nan 8.290 nan 0.000 0.507 178 Q N -1.166 118.641 119.800 0.012 0.000 2.544 178 Q HA 0.769 5.109 4.340 -0.000 0.000 0.291 178 Q C 0.111 176.136 176.000 0.041 0.000 1.068 178 Q CA -0.960 54.853 55.803 0.016 0.000 0.785 178 Q CB 2.173 30.920 28.738 0.015 0.000 1.481 178 Q HN 0.702 nan 8.270 nan 0.000 0.430 179 I N -2.244 118.356 120.570 0.050 0.000 2.646 179 I HA 0.928 5.098 4.170 -0.000 0.000 0.299 179 I C -1.059 175.104 176.117 0.076 0.000 1.036 179 I CA -1.142 60.201 61.300 0.070 0.000 1.074 179 I CB 2.076 40.126 38.000 0.083 0.000 1.258 179 I HN 0.544 nan 8.210 nan 0.000 0.430 180 A N 6.816 129.687 122.820 0.086 0.000 2.287 180 A HA 0.706 5.026 4.320 -0.000 0.000 0.317 180 A C -0.591 177.056 177.584 0.105 0.000 1.220 180 A CA -0.608 51.481 52.037 0.085 0.000 0.835 180 A CB 0.732 19.779 19.000 0.078 0.000 1.180 180 A HN 0.776 nan 8.150 nan 0.000 0.500 181 L N 4.114 125.391 121.223 0.090 0.000 2.283 181 L HA 0.381 4.721 4.340 -0.000 0.000 0.287 181 L C -0.542 176.339 176.870 0.019 0.000 1.073 181 L CA 0.161 55.053 54.840 0.087 0.000 0.822 181 L CB 0.255 42.385 42.059 0.118 0.000 1.186 181 L HN 0.558 nan 8.230 nan 0.000 0.436 182 I N 2.304 122.936 120.570 0.104 0.000 2.441 182 I HA 0.223 4.393 4.170 -0.000 0.000 0.295 182 I C 0.116 176.317 176.117 0.140 0.000 0.994 182 I CA -0.711 60.663 61.300 0.123 0.000 1.144 182 I CB 2.131 40.303 38.000 0.286 0.000 1.314 182 I HN 0.503 nan 8.210 nan 0.000 0.445 183 D N 4.426 124.847 120.400 0.036 0.000 2.417 183 D HA 0.029 4.669 4.640 -0.000 0.000 0.250 183 D C 1.119 177.513 176.300 0.157 0.000 1.166 183 D CA 0.211 54.222 54.000 0.018 0.000 0.881 183 D CB 1.877 42.610 40.800 -0.111 0.000 1.164 183 D HN 0.805 nan 8.370 nan 0.000 0.467 184 G N 2.813 111.739 108.800 0.209 0.000 2.534 184 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.217 184 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.217 184 G C 1.068 176.043 174.900 0.126 0.000 1.128 184 G CA 0.854 46.145 45.100 0.318 0.000 0.784 184 G HN 0.565 nan 8.290 nan 0.000 0.542 185 A N 0.231 122.969 122.820 -0.137 0.000 1.970 185 A HA 0.205 4.525 4.320 -0.000 0.000 0.204 185 A C 2.446 179.541 177.584 -0.815 0.000 1.325 185 A CA 1.758 53.578 52.037 -0.363 0.000 0.767 185 A CB -0.406 18.490 19.000 -0.172 0.000 0.949 185 A HN 0.372 nan 8.150 nan 0.000 0.481 186 T N -5.415 108.795 114.554 -0.574 0.000 3.067 186 T HA 0.064 4.413 4.350 -0.000 0.000 0.257 186 T C 0.566 174.932 174.700 -0.557 0.000 1.105 186 T CA 1.058 62.837 62.100 -0.534 0.000 1.104 186 T CB -0.509 68.210 68.868 -0.248 0.000 0.925 186 T HN 0.729 nan 8.240 nan 0.000 0.498 187 Y N 0.186 120.397 120.300 -0.148 0.000 4.668 187 Y HA -0.171 4.379 4.550 -0.000 0.000 0.234 187 Y C 0.295 176.115 175.900 -0.132 0.000 1.056 187 Y CA 0.045 58.017 58.100 -0.214 0.000 2.025 187 Y CB -2.711 35.423 38.460 -0.542 0.000 1.613 187 Y HN 0.589 nan 8.280 nan 0.000 0.653 188 E N 1.228 121.411 120.200 -0.028 0.000 2.283 188 E HA 0.446 4.796 4.350 -0.000 0.000 0.278 188 E C -0.044 176.528 176.600 -0.048 0.000 1.027 188 E CA -0.613 55.762 56.400 -0.041 0.000 0.843 188 E CB 0.606 30.253 29.700 -0.089 0.000 1.062 188 E HN 0.338 nan 8.360 nan 0.000 0.401 189 I N 6.099 126.649 120.570 -0.033 0.000 2.406 189 I HA -0.030 4.140 4.170 -0.000 0.000 0.293 189 I C 1.445 177.491 176.117 -0.120 0.000 1.101 189 I CA -0.118 61.157 61.300 -0.041 0.000 1.334 189 I CB 0.520 38.518 38.000 -0.004 0.000 1.421 189 I HN 0.454 nan 8.210 nan 0.000 0.513 190 K N 3.229 123.481 120.400 -0.246 0.000 2.103 190 K HA 0.032 4.352 4.320 -0.000 0.000 0.204 190 K C 0.735 177.185 176.600 -0.251 0.000 1.052 190 K CA 0.682 56.677 56.287 -0.487 0.000 0.945 190 K CB 0.121 31.932 32.500 -1.148 0.000 0.722 190 K HN 0.611 nan 8.250 nan 0.000 0.443 191 S N -0.734 114.905 115.700 -0.102 0.000 2.597 191 S HA 0.308 4.778 4.470 -0.000 0.000 0.274 191 S C -1.925 172.715 174.600 0.066 0.000 1.132 191 S CA -0.826 57.412 58.200 0.062 0.000 0.835 191 S CB 1.614 64.962 63.200 0.247 0.000 1.092 191 S HN -0.159 nan 8.310 nan 0.000 0.457 192 V N 3.877 123.835 119.914 0.073 0.000 2.409 192 V HA 0.524 4.644 4.120 -0.000 0.000 0.290 192 V C -0.684 175.446 176.094 0.059 0.000 1.017 192 V CA -0.463 61.872 62.300 0.060 0.000 0.841 192 V CB 1.140 32.989 31.823 0.042 0.000 1.003 192 V HN 0.765 nan 8.190 nan 0.000 0.426 193 L N 3.905 125.165 121.223 0.061 0.000 2.317 193 L HA 0.607 4.947 4.340 -0.000 0.000 0.281 193 L C -0.405 176.477 176.870 0.020 0.000 1.024 193 L CA -0.800 54.068 54.840 0.047 0.000 0.810 193 L CB 1.841 43.939 42.059 0.064 0.000 1.240 193 L HN 0.481 nan 8.230 nan 0.000 0.427 194 D N 1.063 121.462 120.400 -0.002 0.000 2.312 194 D HA 0.190 4.830 4.640 -0.000 0.000 0.252 194 D C 0.833 177.118 176.300 -0.025 0.000 1.150 194 D CA 0.065 54.045 54.000 -0.034 0.000 0.870 194 D CB 1.973 42.737 40.800 -0.059 0.000 1.153 194 D HN 0.681 nan 8.370 nan 0.000 0.457 195 T N -0.421 114.114 114.554 -0.032 0.000 3.182 195 T HA 0.470 4.820 4.350 -0.000 0.000 0.244 195 T C 0.859 175.543 174.700 -0.027 0.000 0.981 195 T CA 0.248 62.344 62.100 -0.007 0.000 1.182 195 T CB 0.648 69.527 68.868 0.018 0.000 1.043 195 T HN 0.549 nan 8.240 nan 0.000 0.424 196 G N -0.483 108.277 108.800 -0.068 0.000 2.340 196 G HA2 0.389 4.349 3.960 -0.000 0.000 0.300 196 G HA3 0.389 4.349 3.960 -0.000 0.000 0.300 196 G C -1.634 173.220 174.900 -0.077 0.000 1.488 196 G CA -1.208 43.831 45.100 -0.102 0.000 0.878 196 G HN 0.360 nan 8.290 nan 0.000 0.618 197 Y N 0.514 120.833 120.300 0.031 0.000 2.683 197 Y HA 0.229 4.779 4.550 -0.000 0.000 0.340 197 Y C 1.541 177.468 175.900 0.045 0.000 1.245 197 Y CA 1.613 59.727 58.100 0.022 0.000 1.485 197 Y CB 1.020 39.486 38.460 0.010 0.000 1.328 197 Y HN 1.946 nan 8.280 nan 0.000 0.603 198 A N 1.201 124.161 122.820 0.233 0.000 2.969 198 A HA -0.210 4.110 4.320 -0.000 0.000 0.252 198 A C 0.033 177.688 177.584 0.118 0.000 1.377 198 A CA 0.381 52.503 52.037 0.141 0.000 0.859 198 A CB -2.168 16.898 19.000 0.111 0.000 1.077 198 A HN 0.710 nan 8.150 nan 0.000 0.671 199 V N 0.776 120.760 119.914 0.117 0.000 2.694 199 V HA 0.226 4.346 4.120 -0.000 0.000 0.306 199 V C 1.389 177.578 176.094 0.159 0.000 1.054 199 V CA 1.453 63.819 62.300 0.109 0.000 1.161 199 V CB 0.771 32.642 31.823 0.080 0.000 0.916 199 V HN 0.650 nan 8.190 nan 0.000 0.490 200 H N 6.121 125.210 119.070 0.031 0.000 2.334 200 H HA 0.382 4.938 4.556 -0.000 0.000 0.307 200 H C 0.598 175.962 175.328 0.059 0.000 1.092 200 H CA 0.727 56.796 56.048 0.034 0.000 1.567 200 H CB 1.013 30.782 29.762 0.012 0.000 1.505 200 H HN 0.702 nan 8.280 nan 0.000 0.637 201 I N -0.936 119.568 120.570 -0.109 0.000 3.279 201 I HA 0.506 4.676 4.170 -0.000 0.000 0.315 201 I C -1.214 174.795 176.117 -0.181 0.000 1.187 201 I CA -1.002 60.186 61.300 -0.188 0.000 0.953 201 I CB 2.650 40.384 38.000 -0.444 0.000 1.279 201 I HN -0.021 nan 8.210 nan 0.000 0.465 202 S N 1.372 116.862 115.700 -0.351 0.000 2.566 202 S HA 0.762 5.232 4.470 -0.000 0.000 0.298 202 S C -0.727 173.592 174.600 -0.470 0.000 1.083 202 S CA -0.901 57.146 58.200 -0.256 0.000 0.978 202 S CB 1.720 64.895 63.200 -0.040 0.000 1.073 202 S HN 0.488 nan 8.310 nan 0.000 0.491 203 R N 0.901 121.290 120.500 -0.186 0.000 2.740 203 R HA 0.535 4.875 4.340 -0.000 0.000 0.273 203 R C -1.740 174.592 176.300 0.054 0.000 0.998 203 R CA -0.766 55.249 56.100 -0.143 0.000 0.900 203 R CB 1.281 31.488 30.300 -0.156 0.000 1.223 203 R HN 0.429 nan 8.270 nan 0.000 0.466 204 L N 1.344 122.600 121.223 0.055 0.000 2.346 204 L HA 0.410 4.750 4.340 -0.000 0.000 0.274 204 L C 0.823 177.779 176.870 0.144 0.000 1.007 204 L CA -0.477 54.444 54.840 0.134 0.000 0.818 204 L CB 1.898 44.001 42.059 0.074 0.000 1.284 204 L HN 0.821 nan 8.230 nan 0.000 0.424 205 S N 1.197 117.043 115.700 0.245 0.000 2.589 205 S HA 0.226 4.696 4.470 -0.000 0.000 0.265 205 S C 1.347 176.003 174.600 0.094 0.000 1.342 205 S CA 0.138 58.454 58.200 0.193 0.000 1.005 205 S CB 1.001 64.398 63.200 0.329 0.000 0.909 205 S HN 0.725 nan 8.310 nan 0.000 0.555 206 A N 1.772 124.632 122.820 0.067 0.000 1.986 206 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 206 A C 2.421 180.028 177.584 0.039 0.000 1.171 206 A CA 2.040 54.106 52.037 0.048 0.000 0.640 206 A CB -1.525 17.508 19.000 0.055 0.000 0.811 206 A HN 1.367 nan 8.150 nan 0.000 0.451 207 S N -2.483 113.238 115.700 0.035 0.000 2.470 207 S HA 0.351 4.821 4.470 -0.000 0.000 0.225 207 S C 1.577 176.184 174.600 0.012 0.000 1.006 207 S CA 1.167 59.376 58.200 0.015 0.000 0.934 207 S CB -0.188 62.991 63.200 -0.036 0.000 0.778 207 S HN 1.923 nan 8.310 nan 0.000 0.517 208 G N 1.710 110.511 108.800 0.003 0.000 2.175 208 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.244 208 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.244 208 G C 0.861 175.723 174.900 -0.064 0.000 0.982 208 G CA 0.392 45.503 45.100 0.018 0.000 0.641 208 G HN 0.578 nan 8.290 nan 0.000 0.527 209 R N -0.720 119.614 120.500 -0.276 0.000 2.075 209 R HA 0.198 4.538 4.340 -0.000 0.000 0.226 209 R C 0.275 176.194 176.300 -0.635 0.000 1.114 209 R CA 0.717 56.404 56.100 -0.689 0.000 0.972 209 R CB -0.022 29.427 30.300 -1.419 0.000 0.869 209 R HN 0.355 nan 8.270 nan 0.000 0.437 210 Y N 0.745 120.933 120.300 -0.187 0.000 2.328 210 Y HA 0.313 4.863 4.550 -0.000 0.000 0.337 210 Y C -0.413 175.403 175.900 -0.139 0.000 1.008 210 Y CA -1.141 56.834 58.100 -0.209 0.000 1.129 210 Y CB 1.517 39.835 38.460 -0.236 0.000 1.185 210 Y HN 0.003 nan 8.280 nan 0.000 0.476 211 L N 4.782 125.964 121.223 -0.069 0.000 2.296 211 L HA 0.622 4.962 4.340 -0.000 0.000 0.286 211 L C -1.753 174.998 176.870 -0.197 0.000 1.023 211 L CA -0.567 54.257 54.840 -0.026 0.000 0.812 211 L CB 0.078 42.145 42.059 0.014 0.000 1.223 211 L HN 0.374 nan 8.230 nan 0.000 0.421 212 F N 4.918 124.874 119.950 0.010 0.000 2.458 212 F HA 0.655 5.182 4.527 -0.000 0.000 0.336 212 F C -0.040 175.737 175.800 -0.039 0.000 1.114 212 F CA -0.608 57.383 58.000 -0.015 0.000 0.987 212 F CB 2.042 41.015 39.000 -0.044 0.000 1.130 212 F HN 0.340 nan 8.300 nan 0.000 0.458 213 V N 5.938 125.928 119.914 0.127 0.000 2.735 213 V HA 0.707 4.827 4.120 -0.000 0.000 0.310 213 V C -1.427 174.709 176.094 0.069 0.000 1.061 213 V CA -0.706 61.634 62.300 0.066 0.000 0.913 213 V CB 1.929 33.782 31.823 0.050 0.000 1.005 213 V HN 0.743 nan 8.190 nan 0.000 0.428 214 I N 4.700 125.297 120.570 0.045 0.000 2.689 214 I HA 0.906 5.076 4.170 -0.000 0.000 0.299 214 I C 0.315 176.475 176.117 0.072 0.000 1.059 214 I CA -0.233 61.096 61.300 0.049 0.000 1.055 214 I CB 2.009 40.022 38.000 0.023 0.000 1.243 214 I HN 0.845 nan 8.210 nan 0.000 0.425 215 G N 4.589 113.422 108.800 0.056 0.000 2.489 215 G HA2 0.379 4.339 3.960 -0.000 0.000 0.327 215 G HA3 0.379 4.339 3.960 -0.000 0.000 0.327 215 G C 0.233 175.141 174.900 0.012 0.000 1.189 215 G CA -0.642 44.496 45.100 0.064 0.000 0.962 215 G HN 0.723 nan 8.290 nan 0.000 0.486 216 R N -0.292 120.200 120.500 -0.013 0.000 2.200 216 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 216 R C 1.383 177.645 176.300 -0.065 0.000 1.127 216 R CA 1.511 57.553 56.100 -0.097 0.000 0.989 216 R CB 0.125 30.366 30.300 -0.097 0.000 0.869 216 R HN 0.682 nan 8.270 nan 0.000 0.459 217 D N -1.010 119.381 120.400 -0.015 0.000 2.340 217 D HA 0.021 4.661 4.640 -0.000 0.000 0.220 217 D C 1.074 177.343 176.300 -0.052 0.000 1.039 217 D CA 0.781 54.773 54.000 -0.013 0.000 0.866 217 D CB 0.170 40.987 40.800 0.029 0.000 0.913 217 D HN 0.246 nan 8.370 nan 0.000 0.523 218 G N 0.504 109.270 108.800 -0.058 0.000 2.141 218 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.242 218 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.242 218 G C 0.166 175.040 174.900 -0.044 0.000 0.982 218 G CA 0.162 45.214 45.100 -0.079 0.000 0.662 218 G HN 0.578 nan 8.290 nan 0.000 0.527 219 K N 0.775 121.173 120.400 -0.002 0.000 2.297 219 K HA 0.567 4.887 4.320 -0.000 0.000 0.286 219 K C 0.117 176.745 176.600 0.047 0.000 1.053 219 K CA -0.329 55.978 56.287 0.035 0.000 0.940 219 K CB 1.076 33.608 32.500 0.053 0.000 1.019 219 K HN 0.198 nan 8.250 nan 0.000 0.475 220 V N 5.710 125.663 119.914 0.066 0.000 2.417 220 V HA 0.363 4.483 4.120 -0.000 0.000 0.291 220 V C -0.388 175.765 176.094 0.099 0.000 1.024 220 V CA -0.915 61.437 62.300 0.088 0.000 0.861 220 V CB 1.469 33.352 31.823 0.099 0.000 0.985 220 V HN 0.814 nan 8.190 nan 0.000 0.436 221 N N 4.854 123.606 118.700 0.087 0.000 2.372 221 N HA 0.505 5.245 4.740 -0.000 0.000 0.285 221 N C -0.964 174.530 175.510 -0.026 0.000 1.008 221 N CA -0.448 52.632 53.050 0.050 0.000 0.880 221 N CB 2.375 40.888 38.487 0.042 0.000 1.239 221 N HN 0.635 nan 8.380 nan 0.000 0.484 222 M N 4.146 123.684 119.600 -0.103 0.000 2.167 222 M HA 0.472 4.952 4.480 -0.000 0.000 0.333 222 M C -1.493 174.687 176.300 -0.200 0.000 1.030 222 M CA -0.494 54.585 55.300 -0.367 0.000 0.963 222 M CB 0.777 33.115 32.600 -0.437 0.000 1.589 222 M HN 0.428 nan 8.290 nan 0.000 0.431 223 I N 3.999 124.451 120.570 -0.197 0.000 2.406 223 I HA 0.250 4.420 4.170 -0.000 0.000 0.290 223 I C -0.609 175.506 176.117 -0.004 0.000 0.999 223 I CA -0.622 60.645 61.300 -0.055 0.000 1.124 223 I CB 1.753 39.741 38.000 -0.020 0.000 1.289 223 I HN 0.580 nan 8.210 nan 0.000 0.441 224 D N 6.966 127.386 120.400 0.035 0.000 2.380 224 D HA 0.208 4.848 4.640 -0.000 0.000 0.230 224 D C 0.682 176.937 176.300 -0.075 0.000 1.154 224 D CA -0.082 53.909 54.000 -0.015 0.000 0.859 224 D CB 1.082 41.921 40.800 0.065 0.000 1.045 224 D HN 0.437 nan 8.370 nan 0.000 0.495 225 L N 2.804 123.955 121.223 -0.120 0.000 2.622 225 L HA 0.025 4.365 4.340 -0.000 0.000 0.233 225 L C 1.114 178.027 176.870 0.071 0.000 1.156 225 L CA 0.037 54.860 54.840 -0.028 0.000 0.866 225 L CB -0.005 42.078 42.059 0.040 0.000 0.980 225 L HN 0.471 nan 8.230 nan 0.000 0.448 226 W N -0.308 120.858 121.300 -0.223 0.000 3.290 226 W HA 0.201 4.861 4.660 -0.000 0.000 0.287 226 W C 0.910 177.304 176.519 -0.207 0.000 1.288 226 W CA -0.849 56.371 57.345 -0.209 0.000 1.725 226 W CB -0.324 29.021 29.460 -0.191 0.000 1.103 226 W HN 0.019 nan 8.180 nan 0.000 0.670 227 M N 0.454 120.047 119.600 -0.012 0.000 2.228 227 M HA 0.044 4.524 4.480 -0.000 0.000 0.326 227 M C 1.676 177.851 176.300 -0.207 0.000 1.122 227 M CA 0.268 55.520 55.300 -0.080 0.000 1.161 227 M CB 1.025 33.587 32.600 -0.062 0.000 1.437 227 M HN -0.185 nan 8.290 nan 0.000 0.465 228 K N 0.680 120.981 120.400 -0.165 0.000 2.103 228 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 228 K C 0.289 176.745 176.600 -0.241 0.000 1.048 228 K CA 1.312 57.481 56.287 -0.198 0.000 0.930 228 K CB 0.044 32.480 32.500 -0.107 0.000 0.716 228 K HN 0.544 nan 8.250 nan 0.000 0.444 229 E N 1.138 121.240 120.200 -0.163 0.000 2.437 229 E HA 0.189 4.539 4.350 -0.000 0.000 0.238 229 E C -2.700 173.842 176.600 -0.097 0.000 0.969 229 E CA -2.513 53.822 56.400 -0.109 0.000 0.759 229 E CB 1.212 30.898 29.700 -0.024 0.000 1.283 229 E HN -0.123 nan 8.360 nan 0.000 0.416 230 P HA -0.013 nan 4.420 nan 0.000 0.261 230 P C -0.629 176.677 177.300 0.011 0.000 1.183 230 P CA 0.293 63.347 63.100 -0.076 0.000 0.761 230 P CB 1.185 32.836 31.700 -0.082 0.000 0.785 231 T N 1.341 115.901 114.554 0.010 0.000 2.681 231 T HA 0.365 4.715 4.350 -0.000 0.000 0.296 231 T C -0.830 173.885 174.700 0.025 0.000 1.157 231 T CA -0.472 61.639 62.100 0.018 0.000 1.025 231 T CB 0.721 69.590 68.868 0.000 0.000 1.441 231 T HN 0.095 nan 8.240 nan 0.000 0.504 232 T N 2.150 116.722 114.554 0.031 0.000 2.752 232 T HA 0.305 4.655 4.350 -0.000 0.000 0.295 232 T C 1.557 176.340 174.700 0.138 0.000 0.923 232 T CA 0.088 62.231 62.100 0.072 0.000 1.112 232 T CB 0.471 69.399 68.868 0.100 0.000 0.884 232 T HN 0.578 nan 8.240 nan 0.000 0.525 233 V N 1.263 121.233 119.914 0.094 0.000 3.471 233 V HA 0.689 4.809 4.120 -0.000 0.000 0.258 233 V C 0.657 176.774 176.094 0.039 0.000 1.192 233 V CA 0.347 62.703 62.300 0.094 0.000 1.116 233 V CB -0.663 31.192 31.823 0.053 0.000 0.792 233 V HN 0.873 nan 8.190 nan 0.000 0.459 234 A N 0.711 123.537 122.820 0.010 0.000 2.604 234 A HA 0.785 5.105 4.320 -0.000 0.000 0.295 234 A C -0.883 176.709 177.584 0.013 0.000 1.067 234 A CA -0.210 51.794 52.037 -0.054 0.000 0.683 234 A CB 1.552 20.562 19.000 0.017 0.000 1.281 234 A HN 0.672 nan 8.150 nan 0.000 0.407 235 E N 0.731 120.945 120.200 0.024 0.000 2.412 235 E HA 0.851 5.201 4.350 -0.000 0.000 0.279 235 E C -1.423 175.298 176.600 0.202 0.000 0.984 235 E CA -0.739 55.724 56.400 0.106 0.000 0.788 235 E CB 2.050 31.811 29.700 0.102 0.000 1.277 235 E HN 0.957 nan 8.360 nan 0.000 0.455 236 I N -0.136 120.543 120.570 0.182 0.000 3.021 236 I HA 0.386 4.556 4.170 -0.000 0.000 0.305 236 I C -2.051 174.154 176.117 0.146 0.000 1.434 236 I CA -0.782 60.642 61.300 0.206 0.000 0.969 236 I CB 2.336 40.450 38.000 0.190 0.000 1.328 236 I HN 0.653 nan 8.210 nan 0.000 0.486 237 K N 4.126 124.631 120.400 0.175 0.000 2.270 237 K HA 0.535 4.855 4.320 -0.000 0.000 0.255 237 K C -0.098 176.568 176.600 0.110 0.000 0.936 237 K CA -0.511 55.837 56.287 0.101 0.000 0.809 237 K CB 1.516 34.083 32.500 0.112 0.000 1.131 237 K HN 0.548 nan 8.250 nan 0.000 0.427 238 I N -0.535 119.995 120.570 -0.067 0.000 4.154 238 I HA 0.482 4.652 4.170 -0.000 0.000 0.334 238 I C 0.315 176.293 176.117 -0.232 0.000 1.371 238 I CA -0.192 61.087 61.300 -0.034 0.000 1.110 238 I CB 1.196 39.183 38.000 -0.021 0.000 1.085 238 I HN 0.638 nan 8.210 nan 0.000 0.398 239 G N -0.144 108.260 108.800 -0.660 0.000 2.335 239 G HA2 0.295 4.255 3.960 -0.000 0.000 0.291 239 G HA3 0.295 4.255 3.960 -0.000 0.000 0.291 239 G C -0.357 174.218 174.900 -0.541 0.000 1.261 239 G CA 0.173 44.890 45.100 -0.638 0.000 0.871 239 G HN -0.151 nan 8.290 nan 0.000 0.491 240 S N -0.402 115.210 115.700 -0.146 0.000 2.502 240 S HA 0.308 4.778 4.470 -0.000 0.000 0.228 240 S C 0.364 175.003 174.600 0.066 0.000 1.061 240 S CA 0.636 58.856 58.200 0.032 0.000 0.935 240 S CB 0.207 63.586 63.200 0.297 0.000 0.809 240 S HN 0.478 nan 8.310 nan 0.000 0.510 241 E N 0.071 120.341 120.200 0.115 0.000 2.256 241 E HA 0.733 5.083 4.350 -0.000 0.000 0.268 241 E C -1.089 175.502 176.600 -0.014 0.000 0.877 241 E CA -0.534 55.912 56.400 0.076 0.000 0.757 241 E CB 2.266 32.087 29.700 0.202 0.000 1.183 241 E HN 0.278 nan 8.360 nan 0.000 0.418 242 A N 2.057 124.770 122.820 -0.177 0.000 2.609 242 A HA 0.681 5.001 4.320 -0.000 0.000 0.291 242 A C -0.389 176.964 177.584 -0.385 0.000 1.096 242 A CA -0.625 51.263 52.037 -0.248 0.000 0.684 242 A CB 1.517 20.447 19.000 -0.117 0.000 1.282 242 A HN 0.500 nan 8.150 nan 0.000 0.412 243 R N -0.413 119.888 120.500 -0.332 0.000 2.635 243 R HA 0.206 4.546 4.340 -0.000 0.000 0.241 243 R C 0.281 176.613 176.300 0.054 0.000 0.941 243 R CA 1.129 57.106 56.100 -0.204 0.000 1.014 243 R CB 0.327 30.425 30.300 -0.337 0.000 1.517 243 R HN 0.947 nan 8.270 nan 0.000 0.594 244 S N -0.050 115.636 115.700 -0.023 0.000 2.568 244 S HA 0.772 5.242 4.470 -0.000 0.000 0.293 244 S C -0.339 174.201 174.600 -0.101 0.000 1.089 244 S CA -0.697 57.478 58.200 -0.041 0.000 0.945 244 S CB 2.466 65.637 63.200 -0.049 0.000 1.077 244 S HN 0.141 nan 8.310 nan 0.000 0.485 245 I N 0.493 120.977 120.570 -0.143 0.000 2.913 245 I HA 0.783 4.953 4.170 -0.000 0.000 0.302 245 I C -1.856 174.104 176.117 -0.261 0.000 1.246 245 I CA -0.341 60.834 61.300 -0.208 0.000 1.010 245 I CB 2.239 40.148 38.000 -0.152 0.000 1.259 245 I HN 0.938 nan 8.210 nan 0.000 0.434 246 E N 2.728 122.712 120.200 -0.360 0.000 2.407 246 E HA 0.541 4.891 4.350 -0.000 0.000 0.279 246 E C -1.522 174.863 176.600 -0.359 0.000 1.012 246 E CA -0.440 55.771 56.400 -0.314 0.000 0.800 246 E CB 1.969 31.520 29.700 -0.250 0.000 1.276 246 E HN 0.631 nan 8.360 nan 0.000 0.452 247 T N -0.705 113.737 114.554 -0.187 0.000 2.940 247 T HA 0.643 4.993 4.350 -0.000 0.000 0.288 247 T C -0.216 174.553 174.700 0.115 0.000 1.033 247 T CA -0.549 61.480 62.100 -0.118 0.000 1.033 247 T CB 1.111 69.882 68.868 -0.161 0.000 1.079 247 T HN 0.552 nan 8.240 nan 0.000 0.496 248 S N 0.933 116.669 115.700 0.062 0.000 2.498 248 S HA 0.252 4.722 4.470 -0.000 0.000 0.281 248 S C 0.189 174.756 174.600 -0.055 0.000 1.265 248 S CA -0.710 57.399 58.200 -0.151 0.000 1.071 248 S CB 0.148 63.133 63.200 -0.359 0.000 0.894 248 S HN 0.801 nan 8.310 nan 0.000 0.491 249 K N 1.270 121.607 120.400 -0.105 0.000 2.537 249 K HA 0.234 4.553 4.320 -0.000 0.000 0.206 249 K C -0.238 176.307 176.600 -0.091 0.000 1.041 249 K CA -0.268 55.947 56.287 -0.120 0.000 1.090 249 K CB 0.405 32.731 32.500 -0.289 0.000 0.833 249 K HN 0.659 nan 8.250 nan 0.000 0.493 250 M N 1.967 121.578 119.600 0.018 0.000 2.144 250 M HA 0.141 4.621 4.480 -0.000 0.000 0.356 250 M C -0.440 175.986 176.300 0.210 0.000 1.217 250 M CA -0.061 55.292 55.300 0.088 0.000 1.087 250 M CB 0.645 33.277 32.600 0.053 0.000 1.609 250 M HN -0.019 nan 8.290 nan 0.000 0.467 251 E N 3.442 123.734 120.200 0.153 0.000 2.558 251 E HA 0.246 4.596 4.350 -0.000 0.000 0.255 251 E C 0.838 177.523 176.600 0.141 0.000 0.968 251 E CA 1.434 57.907 56.400 0.122 0.000 0.939 251 E CB 0.058 29.798 29.700 0.066 0.000 0.921 251 E HN 1.055 nan 8.360 nan 0.000 0.477 252 G N 3.189 112.024 108.800 0.057 0.000 2.195 252 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.224 252 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.224 252 G C 0.068 174.800 174.900 -0.282 0.000 0.990 252 G CA -0.071 44.965 45.100 -0.106 0.000 0.639 252 G HN 0.668 nan 8.290 nan 0.000 0.514 253 W N 1.541 122.849 121.300 0.014 0.000 2.653 253 W HA 0.612 5.272 4.660 -0.000 0.000 0.391 253 W C 0.308 176.802 176.519 -0.042 0.000 0.962 253 W CA -0.591 56.759 57.345 0.009 0.000 1.900 253 W CB 0.589 30.119 29.460 0.117 0.000 1.176 253 W HN 0.116 nan 8.180 nan 0.000 0.582 254 E N 1.268 121.533 120.200 0.108 0.000 2.465 254 E HA -0.040 4.310 4.350 -0.000 0.000 0.260 254 E C 0.689 177.311 176.600 0.037 0.000 0.980 254 E CA 1.075 57.514 56.400 0.065 0.000 0.927 254 E CB 0.083 29.808 29.700 0.042 0.000 0.934 254 E HN 0.054 nan 8.360 nan 0.000 0.459 255 D N 1.836 122.267 120.400 0.050 0.000 3.077 255 D HA -0.221 4.419 4.640 -0.000 0.000 0.217 255 D C 0.799 177.074 176.300 -0.041 0.000 1.162 255 D CA 0.858 54.891 54.000 0.055 0.000 0.943 255 D CB -0.228 40.630 40.800 0.097 0.000 1.122 255 D HN 0.412 nan 8.370 nan 0.000 0.413 256 K N -0.838 119.511 120.400 -0.085 0.000 2.044 256 K HA -0.011 4.309 4.320 -0.000 0.000 0.204 256 K C 0.733 177.008 176.600 -0.541 0.000 1.049 256 K CA 1.148 57.261 56.287 -0.291 0.000 0.945 256 K CB 0.217 32.635 32.500 -0.137 0.000 0.724 256 K HN 0.274 nan 8.250 nan 0.000 0.440 257 Y N -1.239 119.000 120.300 -0.102 0.000 2.581 257 Y HA 0.523 5.073 4.550 -0.000 0.000 0.345 257 Y C -0.554 175.261 175.900 -0.142 0.000 1.036 257 Y CA -1.506 56.515 58.100 -0.132 0.000 1.042 257 Y CB 2.005 40.325 38.460 -0.234 0.000 1.289 257 Y HN -0.078 nan 8.280 nan 0.000 0.471 258 A N 2.187 124.991 122.820 -0.026 0.000 2.435 258 A HA 0.853 5.173 4.320 -0.000 0.000 0.304 258 A C -1.758 175.581 177.584 -0.409 0.000 1.064 258 A CA -0.754 51.059 52.037 -0.373 0.000 0.727 258 A CB 1.469 20.056 19.000 -0.688 0.000 1.284 258 A HN 0.758 nan 8.150 nan 0.000 0.415 259 I N 0.882 121.054 120.570 -0.664 0.000 2.582 259 I HA 0.748 4.918 4.170 -0.000 0.000 0.292 259 I C -0.386 175.452 176.117 -0.464 0.000 1.066 259 I CA -0.652 60.235 61.300 -0.687 0.000 1.053 259 I CB 1.902 39.099 38.000 -1.337 0.000 1.241 259 I HN 0.882 nan 8.210 nan 0.000 0.421 260 A N 4.757 127.414 122.820 -0.272 0.000 2.386 260 A HA 0.886 5.206 4.320 -0.000 0.000 0.311 260 A C -0.588 176.938 177.584 -0.096 0.000 1.068 260 A CA -0.459 51.473 52.037 -0.175 0.000 0.743 260 A CB 1.613 20.544 19.000 -0.116 0.000 1.258 260 A HN 0.846 nan 8.150 nan 0.000 0.429 261 G N -0.015 108.740 108.800 -0.074 0.000 2.452 261 G HA2 0.725 4.685 3.960 -0.000 0.000 0.324 261 G HA3 0.725 4.685 3.960 -0.000 0.000 0.324 261 G C -0.342 174.568 174.900 0.015 0.000 1.214 261 G CA 0.176 45.276 45.100 0.001 0.000 0.947 261 G HN 1.419 nan 8.290 nan 0.000 0.478 262 A N 1.142 123.993 122.820 0.051 0.000 2.322 262 A HA 0.714 5.034 4.320 -0.000 0.000 0.327 262 A C -0.060 177.670 177.584 0.243 0.000 1.134 262 A CA -0.649 51.428 52.037 0.067 0.000 0.831 262 A CB 1.103 20.101 19.000 -0.002 0.000 1.288 262 A HN 0.653 nan 8.150 nan 0.000 0.472 263 Y N -0.753 119.590 120.300 0.071 0.000 2.436 263 Y HA 0.172 4.722 4.550 -0.000 0.000 0.288 263 Y C 0.421 176.465 175.900 0.241 0.000 1.112 263 Y CA -0.038 58.144 58.100 0.137 0.000 1.220 263 Y CB 0.405 38.956 38.460 0.151 0.000 1.073 263 Y HN 0.653 nan 8.280 nan 0.000 0.552 264 W N 1.663 123.072 121.300 0.183 0.000 3.405 264 W HA 0.300 4.960 4.660 -0.000 0.000 0.329 264 W C -3.281 173.265 176.519 0.045 0.000 1.142 264 W CA -2.069 55.340 57.345 0.107 0.000 1.235 264 W CB 2.115 31.647 29.460 0.121 0.000 1.341 264 W HN -0.180 nan 8.180 nan 0.000 0.481 265 P HA 0.196 nan 4.420 nan 0.000 0.274 265 P C -2.535 174.425 177.300 -0.567 0.000 1.256 265 P CA -1.075 61.179 63.100 -1.410 0.000 0.795 265 P CB 0.174 31.267 31.700 -1.011 0.000 1.038 266 P HA 0.082 nan 4.420 nan 0.000 0.268 266 P C -0.709 176.493 177.300 -0.164 0.000 1.485 266 P CA 0.501 63.494 63.100 -0.178 0.000 1.102 266 P CB -0.446 31.185 31.700 -0.116 0.000 1.501 267 Q N 2.584 122.316 119.800 -0.113 0.000 2.756 267 Q HA 0.496 4.836 4.340 -0.000 0.000 0.295 267 Q C -1.653 174.321 176.000 -0.043 0.000 0.903 267 Q CA -1.089 54.630 55.803 -0.141 0.000 0.768 267 Q CB 1.056 29.673 28.738 -0.203 0.000 1.472 267 Q HN 0.269 nan 8.270 nan 0.000 0.416 268 Y N -1.594 118.648 120.300 -0.096 0.000 2.545 268 Y HA 0.856 5.406 4.550 -0.000 0.000 0.348 268 Y C -1.434 174.391 175.900 -0.125 0.000 1.002 268 Y CA -1.214 56.816 58.100 -0.117 0.000 1.039 268 Y CB 1.784 40.163 38.460 -0.134 0.000 1.271 268 Y HN 0.472 nan 8.280 nan 0.000 0.467 269 V N 4.096 124.043 119.914 0.055 0.000 2.656 269 V HA 0.424 4.544 4.120 -0.000 0.000 0.307 269 V C -0.642 175.428 176.094 -0.040 0.000 1.051 269 V CA -0.861 61.419 62.300 -0.034 0.000 0.893 269 V CB 1.758 33.542 31.823 -0.065 0.000 0.999 269 V HN 0.655 nan 8.190 nan 0.000 0.426 270 I N 4.947 125.488 120.570 -0.049 0.000 2.304 270 I HA 0.501 4.671 4.170 -0.000 0.000 0.291 270 I C -0.044 176.024 176.117 -0.082 0.000 1.018 270 I CA -0.188 61.054 61.300 -0.097 0.000 1.260 270 I CB 1.061 38.985 38.000 -0.126 0.000 1.390 270 I HN 0.596 nan 8.210 nan 0.000 0.475 271 M N 4.303 123.871 119.600 -0.053 0.000 2.578 271 M HA 0.324 4.804 4.480 -0.000 0.000 0.321 271 M C 0.178 176.545 176.300 0.112 0.000 1.182 271 M CA -0.726 54.556 55.300 -0.030 0.000 0.965 271 M CB 1.683 34.235 32.600 -0.080 0.000 1.694 271 M HN 0.405 nan 8.290 nan 0.000 0.461 272 D N 1.267 121.698 120.400 0.052 0.000 2.493 272 D HA -0.011 4.629 4.640 -0.000 0.000 0.240 272 D C 0.919 177.213 176.300 -0.009 0.000 1.142 272 D CA 0.466 54.483 54.000 0.028 0.000 0.872 272 D CB 1.331 42.117 40.800 -0.024 0.000 1.173 272 D HN 0.858 nan 8.370 nan 0.000 0.467 273 G N 3.409 112.160 108.800 -0.081 0.000 2.559 273 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 273 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 273 G C 1.246 176.085 174.900 -0.100 0.000 1.126 273 G CA 0.407 45.480 45.100 -0.045 0.000 0.778 273 G HN 0.608 nan 8.290 nan 0.000 0.543 274 E N -1.238 118.873 120.200 -0.149 0.000 2.399 274 E HA 0.031 4.381 4.350 -0.000 0.000 0.205 274 E C 2.181 178.690 176.600 -0.151 0.000 0.906 274 E CA 0.898 57.143 56.400 -0.259 0.000 0.998 274 E CB 0.634 30.235 29.700 -0.165 0.000 1.002 274 E HN 0.453 nan 8.360 nan 0.000 0.501 275 T N -2.361 112.193 114.554 -0.000 0.000 3.043 275 T HA 0.257 4.607 4.350 -0.000 0.000 0.272 275 T C 0.995 175.869 174.700 0.290 0.000 0.990 275 T CA -0.303 61.892 62.100 0.159 0.000 0.897 275 T CB 0.301 69.346 68.868 0.294 0.000 1.111 275 T HN 0.121 nan 8.240 nan 0.000 0.529 276 L N -0.006 121.284 121.223 0.113 0.000 4.884 276 L HA -0.175 4.165 4.340 -0.000 0.000 0.430 276 L C 0.454 177.115 176.870 -0.349 0.000 1.087 276 L CA 0.695 55.550 54.840 0.026 0.000 1.033 276 L CB -1.750 40.397 42.059 0.146 0.000 2.030 276 L HN 0.558 nan 8.230 nan 0.000 0.762 277 E N 3.447 123.340 120.200 -0.512 0.000 2.558 277 E HA 0.016 4.366 4.350 -0.000 0.000 0.255 277 E C -1.889 174.351 176.600 -0.600 0.000 0.968 277 E CA -1.250 54.477 56.400 -1.121 0.000 0.939 277 E CB 0.643 29.919 29.700 -0.707 0.000 0.921 277 E HN 0.080 nan 8.360 nan 0.000 0.477 278 P HA 0.005 nan 4.420 nan 0.000 0.271 278 P C -0.569 176.598 177.300 -0.221 0.000 1.233 278 P CA -0.078 62.837 63.100 -0.308 0.000 0.764 278 P CB 1.098 32.642 31.700 -0.260 0.000 0.825 279 K N 1.908 122.228 120.400 -0.134 0.000 2.350 279 K HA 0.161 4.481 4.320 -0.000 0.000 0.196 279 K C 0.529 177.079 176.600 -0.083 0.000 1.084 279 K CA 0.720 56.957 56.287 -0.082 0.000 0.967 279 K CB 0.309 32.806 32.500 -0.005 0.000 0.950 279 K HN 0.323 nan 8.250 nan 0.000 0.512 280 K N 0.680 121.022 120.400 -0.098 0.000 2.565 280 K HA 0.409 4.729 4.320 -0.000 0.000 0.251 280 K C -1.641 174.876 176.600 -0.137 0.000 0.956 280 K CA -0.099 56.126 56.287 -0.103 0.000 0.809 280 K CB 1.113 33.561 32.500 -0.087 0.000 1.267 280 K HN -0.119 nan 8.250 nan 0.000 0.438 281 I N 3.992 124.463 120.570 -0.165 0.000 2.354 281 I HA 0.394 4.564 4.170 -0.000 0.000 0.292 281 I C -0.432 175.495 176.117 -0.317 0.000 0.989 281 I CA -0.856 60.308 61.300 -0.226 0.000 1.188 281 I CB 1.761 39.663 38.000 -0.164 0.000 1.342 281 I HN 0.363 nan 8.210 nan 0.000 0.457 282 Q N 4.275 123.739 119.800 -0.560 0.000 2.321 282 Q HA 0.325 4.665 4.340 -0.000 0.000 0.270 282 Q C -0.578 175.116 176.000 -0.510 0.000 1.032 282 Q CA -0.477 54.969 55.803 -0.595 0.000 0.784 282 Q CB 2.477 30.668 28.738 -0.913 0.000 1.264 282 Q HN 0.691 nan 8.270 nan 0.000 0.448 283 S N 0.934 116.467 115.700 -0.278 0.000 2.564 283 S HA 0.182 4.652 4.470 -0.000 0.000 0.278 283 S C 0.883 175.407 174.600 -0.127 0.000 1.333 283 S CA 0.201 58.290 58.200 -0.186 0.000 1.048 283 S CB 0.435 63.567 63.200 -0.113 0.000 0.900 283 S HN 0.655 nan 8.310 nan 0.000 0.505 284 T N 1.986 116.492 114.554 -0.081 0.000 3.134 284 T HA 0.327 4.677 4.350 -0.000 0.000 0.260 284 T C 0.427 175.114 174.700 -0.022 0.000 1.027 284 T CA -0.436 61.653 62.100 -0.018 0.000 0.913 284 T CB -0.159 68.720 68.868 0.018 0.000 1.046 284 T HN 0.584 nan 8.240 nan 0.000 0.553 285 R N 0.864 121.356 120.500 -0.014 0.000 2.491 285 R HA 0.594 4.934 4.340 -0.000 0.000 0.283 285 R C 0.694 177.029 176.300 0.058 0.000 1.072 285 R CA 0.397 56.502 56.100 0.009 0.000 1.048 285 R CB 0.759 31.125 30.300 0.109 0.000 0.983 285 R HN 0.530 nan 8.270 nan 0.000 0.450 286 G N 1.516 110.303 108.800 -0.021 0.000 2.335 286 G HA2 0.190 4.150 3.960 -0.000 0.000 0.291 286 G HA3 0.190 4.150 3.960 -0.000 0.000 0.291 286 G C -1.458 173.462 174.900 0.033 0.000 1.261 286 G CA -0.900 44.256 45.100 0.093 0.000 0.871 286 G HN 0.231 nan 8.290 nan 0.000 0.491 287 M N 2.014 121.663 119.600 0.083 0.000 2.277 287 M HA 0.390 4.870 4.480 -0.000 0.000 0.350 287 M C 0.933 177.249 176.300 0.026 0.000 1.180 287 M CA -0.677 54.663 55.300 0.067 0.000 1.103 287 M CB 0.489 33.136 32.600 0.078 0.000 1.577 287 M HN 0.802 nan 8.290 nan 0.000 0.459 288 T N -0.050 114.508 114.554 0.008 0.000 2.900 288 T HA 0.105 4.455 4.350 -0.000 0.000 0.307 288 T C 1.023 175.710 174.700 -0.022 0.000 1.065 288 T CA -0.258 61.831 62.100 -0.018 0.000 1.105 288 T CB 0.301 69.132 68.868 -0.061 0.000 0.979 288 T HN 0.688 nan 8.240 nan 0.000 0.544 289 Y N 1.735 121.997 120.300 -0.063 0.000 2.263 289 Y HA -0.035 4.515 4.550 -0.000 0.000 0.292 289 Y C 1.773 177.649 175.900 -0.039 0.000 1.130 289 Y CA 1.508 59.579 58.100 -0.050 0.000 1.179 289 Y CB -0.638 37.784 38.460 -0.063 0.000 0.998 289 Y HN 0.693 nan 8.280 nan 0.000 0.532 290 D N 0.064 119.710 120.400 -1.257 0.000 2.214 290 D HA -0.121 4.519 4.640 -0.000 0.000 0.217 290 D C 1.516 177.585 176.300 -0.386 0.000 0.973 290 D CA 1.507 54.955 54.000 -0.921 0.000 0.880 290 D CB -0.844 39.301 40.800 -1.091 0.000 1.031 290 D HN 0.581 nan 8.370 nan 0.000 0.468 291 E N -0.063 119.958 120.200 -0.298 0.000 2.371 291 E HA 0.011 4.361 4.350 -0.000 0.000 0.194 291 E C -0.096 176.448 176.600 -0.093 0.000 1.012 291 E CA 0.013 56.323 56.400 -0.150 0.000 0.860 291 E CB -0.023 29.613 29.700 -0.107 0.000 0.811 291 E HN 0.255 nan 8.360 nan 0.000 0.502 292 Q N 1.066 120.811 119.800 -0.092 0.000 2.453 292 Q HA -0.167 4.173 4.340 -0.000 0.000 0.330 292 Q C -0.966 175.037 176.000 0.004 0.000 1.417 292 Q CA 0.580 56.364 55.803 -0.031 0.000 0.902 292 Q CB -1.004 27.721 28.738 -0.022 0.000 1.154 292 Q HN 0.220 nan 8.270 nan 0.000 0.395 293 E N 0.498 120.707 120.200 0.016 0.000 2.266 293 E HA 0.240 4.590 4.350 -0.000 0.000 0.268 293 E C -0.745 175.914 176.600 0.100 0.000 0.879 293 E CA -0.978 55.454 56.400 0.053 0.000 0.762 293 E CB 1.070 30.787 29.700 0.029 0.000 1.199 293 E HN 0.231 nan 8.360 nan 0.000 0.422 294 Y N 2.699 123.011 120.300 0.020 0.000 2.702 294 Y HA -0.026 4.524 4.550 -0.000 0.000 0.336 294 Y C -0.242 175.698 175.900 0.067 0.000 1.235 294 Y CA 0.789 58.913 58.100 0.041 0.000 1.492 294 Y CB 0.358 38.831 38.460 0.022 0.000 1.308 294 Y HN 0.386 nan 8.280 nan 0.000 0.589 295 H N 8.444 127.028 119.070 -0.810 0.000 2.727 295 H HA 0.278 4.834 4.556 -0.000 0.000 0.330 295 H C -2.246 172.592 175.328 -0.816 0.000 0.986 295 H CA -2.426 53.283 56.048 -0.566 0.000 1.251 295 H CB 2.333 31.928 29.762 -0.278 0.000 1.493 295 H HN 0.493 nan 8.280 nan 0.000 0.515 296 P HA 0.037 nan 4.420 nan 0.000 0.241 296 P C -0.342 177.057 177.300 0.163 0.000 1.191 296 P CA 0.567 63.611 63.100 -0.094 0.000 0.771 296 P CB 0.700 32.463 31.700 0.105 0.000 0.929 297 E N 0.077 120.489 120.200 0.354 0.000 4.170 297 E HA 0.234 4.584 4.350 -0.000 0.000 0.215 297 E C -2.633 174.068 176.600 0.168 0.000 1.119 297 E CA -1.644 54.960 56.400 0.341 0.000 1.396 297 E CB 0.593 30.527 29.700 0.391 0.000 1.182 297 E HN 0.254 nan 8.360 nan 0.000 0.438 298 P HA 0.078 nan 4.420 nan 0.000 0.274 298 P C -0.463 176.796 177.300 -0.069 0.000 1.291 298 P CA -0.103 62.886 63.100 -0.185 0.000 0.815 298 P CB 0.363 31.944 31.700 -0.198 0.000 0.897 299 R N 1.948 122.402 120.500 -0.076 0.000 2.543 299 R HA 0.294 4.634 4.340 -0.000 0.000 0.277 299 R C -0.146 176.163 176.300 0.014 0.000 1.074 299 R CA -0.726 55.348 56.100 -0.044 0.000 1.076 299 R CB 0.552 30.667 30.300 -0.309 0.000 0.993 299 R HN 0.226 nan 8.270 nan 0.000 0.459 300 V N 3.310 123.300 119.914 0.127 0.000 2.461 300 V HA 0.213 4.333 4.120 -0.000 0.000 0.275 300 V C 0.727 176.942 176.094 0.202 0.000 1.047 300 V CA 0.165 62.538 62.300 0.122 0.000 0.955 300 V CB 0.896 32.786 31.823 0.111 0.000 0.988 300 V HN 0.999 nan 8.190 nan 0.000 0.471 301 A N 5.107 128.000 122.820 0.121 0.000 3.748 301 A HA 0.878 5.198 4.320 -0.000 0.000 0.180 301 A C 0.959 178.556 177.584 0.022 0.000 1.758 301 A CA 0.237 52.348 52.037 0.123 0.000 1.736 301 A CB -0.466 18.573 19.000 0.064 0.000 1.559 301 A HN 1.078 nan 8.150 nan 0.000 0.575 302 A N -0.565 122.227 122.820 -0.047 0.000 2.483 302 A HA 0.504 4.824 4.320 -0.000 0.000 0.238 302 A C -0.286 177.259 177.584 -0.065 0.000 1.070 302 A CA 0.374 52.384 52.037 -0.046 0.000 0.770 302 A CB -0.547 18.451 19.000 -0.002 0.000 1.008 302 A HN 0.514 nan 8.150 nan 0.000 0.497 303 I N 1.957 122.459 120.570 -0.113 0.000 2.466 303 I HA 0.394 4.564 4.170 -0.000 0.000 0.289 303 I C -0.906 175.097 176.117 -0.189 0.000 1.026 303 I CA -0.419 60.765 61.300 -0.194 0.000 1.078 303 I CB 1.671 39.517 38.000 -0.257 0.000 1.249 303 I HN 0.455 nan 8.210 nan 0.000 0.429 304 L N 4.675 125.751 121.223 -0.245 0.000 2.235 304 L HA 0.903 5.243 4.340 -0.000 0.000 0.260 304 L C -0.258 176.535 176.870 -0.129 0.000 1.025 304 L CA -0.545 54.179 54.840 -0.194 0.000 0.836 304 L CB 1.798 43.700 42.059 -0.261 0.000 1.395 304 L HN 0.671 nan 8.230 nan 0.000 0.443 305 A N -0.118 122.628 122.820 -0.122 0.000 2.356 305 A HA 0.686 5.006 4.320 -0.000 0.000 0.310 305 A C -0.601 176.804 177.584 -0.299 0.000 1.075 305 A CA -0.446 51.513 52.037 -0.130 0.000 0.746 305 A CB 1.520 20.463 19.000 -0.095 0.000 1.221 305 A HN 0.540 nan 8.150 nan 0.000 0.443 306 S N 0.745 116.282 115.700 -0.272 0.000 2.576 306 S HA 0.240 4.710 4.470 -0.000 0.000 0.276 306 S C 0.347 174.797 174.600 -0.249 0.000 1.339 306 S CA -0.153 57.920 58.200 -0.211 0.000 1.039 306 S CB 0.130 63.225 63.200 -0.174 0.000 0.902 306 S HN 0.697 nan 8.310 nan 0.000 0.516 307 H N 2.881 121.984 119.070 0.054 0.000 2.652 307 H HA 0.172 4.728 4.556 -0.000 0.000 0.274 307 H C 0.042 175.386 175.328 0.027 0.000 1.021 307 H CA 0.297 56.378 56.048 0.054 0.000 1.187 307 H CB 0.263 30.078 29.762 0.088 0.000 1.505 307 H HN 0.723 nan 8.280 nan 0.000 0.530 308 Y N 0.395 120.698 120.300 0.005 0.000 2.535 308 Y HA 0.263 4.813 4.550 -0.000 0.000 0.266 308 Y C 0.741 176.596 175.900 -0.074 0.000 1.088 308 Y CA 0.270 58.354 58.100 -0.027 0.000 1.285 308 Y CB 0.971 39.396 38.460 -0.059 0.000 1.166 308 Y HN -0.142 nan 8.280 nan 0.000 0.525 309 R N -0.238 120.260 120.500 -0.003 0.000 2.774 309 R HA 0.317 4.657 4.340 -0.000 0.000 0.272 309 R C -2.811 173.296 176.300 -0.322 0.000 1.000 309 R CA -2.047 53.968 56.100 -0.142 0.000 0.906 309 R CB 1.636 31.838 30.300 -0.162 0.000 1.227 309 R HN -0.318 nan 8.270 nan 0.000 0.468 310 P HA 0.089 nan 4.420 nan 0.000 0.237 310 P C -1.239 175.085 177.300 -1.627 0.000 1.788 310 P CA 0.295 62.733 63.100 -1.102 0.000 1.061 310 P CB 0.191 31.085 31.700 -1.342 0.000 1.967 311 E N 0.944 120.547 120.200 -0.994 0.000 2.343 311 E HA 0.498 4.848 4.350 -0.000 0.000 0.270 311 E C -0.929 175.400 176.600 -0.451 0.000 0.895 311 E CA -0.813 55.146 56.400 -0.734 0.000 0.767 311 E CB 1.412 30.857 29.700 -0.426 0.000 1.248 311 E HN 0.067 nan 8.360 nan 0.000 0.440 312 F N 1.205 121.052 119.950 -0.172 0.000 2.422 312 F HA 0.442 4.969 4.527 -0.000 0.000 0.333 312 F C 0.236 175.851 175.800 -0.310 0.000 1.095 312 F CA -0.743 57.135 58.000 -0.205 0.000 1.038 312 F CB 0.905 39.773 39.000 -0.221 0.000 1.156 312 F HN 0.238 nan 8.300 nan 0.000 0.483 313 I N 4.038 124.520 120.570 -0.147 0.000 2.371 313 I HA 0.302 4.472 4.170 -0.000 0.000 0.282 313 I C -1.056 174.848 176.117 -0.356 0.000 1.031 313 I CA -0.592 60.501 61.300 -0.345 0.000 1.180 313 I CB 0.873 38.508 38.000 -0.608 0.000 1.336 313 I HN 0.122 nan 8.210 nan 0.000 0.467 314 V N 5.596 125.333 119.914 -0.295 0.000 2.370 314 V HA 0.313 4.433 4.120 -0.000 0.000 0.283 314 V C 0.091 176.098 176.094 -0.144 0.000 1.023 314 V CA -0.760 61.383 62.300 -0.262 0.000 0.857 314 V CB 1.341 32.931 31.823 -0.388 0.000 0.985 314 V HN 0.574 nan 8.190 nan 0.000 0.443 315 N N 3.253 121.909 118.700 -0.074 0.000 2.444 315 N HA 0.387 5.127 4.740 -0.000 0.000 0.271 315 N C -0.600 174.905 175.510 -0.008 0.000 1.069 315 N CA -0.161 52.890 53.050 0.002 0.000 0.965 315 N CB 1.857 40.384 38.487 0.067 0.000 1.092 315 N HN 0.446 nan 8.380 nan 0.000 0.476 316 V N 3.642 123.544 119.914 -0.019 0.000 2.313 316 V HA 0.174 4.294 4.120 -0.000 0.000 0.278 316 V C 1.566 177.628 176.094 -0.054 0.000 1.017 316 V CA -0.722 61.561 62.300 -0.029 0.000 0.823 316 V CB 1.231 33.034 31.823 -0.033 0.000 1.010 316 V HN 0.670 nan 8.190 nan 0.000 0.443 317 K N 3.553 123.928 120.400 -0.042 0.000 1.969 317 K HA -0.223 4.097 4.320 -0.000 0.000 0.223 317 K C 1.670 178.183 176.600 -0.145 0.000 1.048 317 K CA 2.399 58.663 56.287 -0.039 0.000 0.983 317 K CB 0.122 32.631 32.500 0.015 0.000 0.738 317 K HN 0.690 nan 8.250 nan 0.000 0.446 318 E N -0.248 119.812 120.200 -0.233 0.000 2.204 318 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 318 E C 1.738 178.094 176.600 -0.406 0.000 0.990 318 E CA 1.824 57.982 56.400 -0.404 0.000 0.821 318 E CB -0.172 29.137 29.700 -0.651 0.000 0.750 318 E HN 0.647 nan 8.360 nan 0.000 0.477 319 T N -3.567 110.815 114.554 -0.288 0.000 3.081 319 T HA 0.275 4.625 4.350 -0.000 0.000 0.250 319 T C 1.482 176.173 174.700 -0.015 0.000 1.100 319 T CA 0.146 62.160 62.100 -0.143 0.000 1.038 319 T CB 0.201 69.004 68.868 -0.108 0.000 0.962 319 T HN 0.221 nan 8.240 nan 0.000 0.516 320 G N 2.225 110.973 108.800 -0.086 0.000 2.295 320 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.287 320 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.287 320 G C -0.302 174.506 174.900 -0.153 0.000 1.055 320 G CA -0.176 44.853 45.100 -0.117 0.000 0.922 320 G HN 0.537 nan 8.290 nan 0.000 0.503 321 K N -0.135 120.211 120.400 -0.089 0.000 2.270 321 K HA 0.639 4.959 4.320 -0.000 0.000 0.255 321 K C 0.227 176.789 176.600 -0.063 0.000 0.936 321 K CA -0.873 55.371 56.287 -0.072 0.000 0.809 321 K CB 1.998 34.480 32.500 -0.030 0.000 1.131 321 K HN 0.258 nan 8.250 nan 0.000 0.427 322 I N 4.381 124.912 120.570 -0.065 0.000 2.362 322 I HA 0.311 4.481 4.170 -0.000 0.000 0.289 322 I C -0.242 175.836 176.117 -0.066 0.000 0.994 322 I CA -0.803 60.471 61.300 -0.042 0.000 1.158 322 I CB 0.910 38.912 38.000 0.003 0.000 1.315 322 I HN 0.226 nan 8.210 nan 0.000 0.451 323 L N 7.025 128.194 121.223 -0.091 0.000 2.309 323 L HA 0.547 4.887 4.340 -0.000 0.000 0.282 323 L C -0.588 176.194 176.870 -0.146 0.000 1.036 323 L CA -0.708 54.072 54.840 -0.101 0.000 0.806 323 L CB 1.411 43.417 42.059 -0.089 0.000 1.220 323 L HN 0.415 nan 8.230 nan 0.000 0.429 324 L N 4.290 125.435 121.223 -0.130 0.000 2.276 324 L HA 0.459 4.799 4.340 -0.000 0.000 0.286 324 L C -0.620 176.159 176.870 -0.152 0.000 1.024 324 L CA -0.671 54.074 54.840 -0.159 0.000 0.826 324 L CB 1.640 43.607 42.059 -0.155 0.000 1.211 324 L HN 0.312 nan 8.230 nan 0.000 0.422 325 V N 1.945 121.762 119.914 -0.161 0.000 2.328 325 V HA 0.184 4.304 4.120 -0.000 0.000 0.278 325 V C -0.029 175.929 176.094 -0.228 0.000 1.021 325 V CA -0.615 61.607 62.300 -0.131 0.000 0.838 325 V CB 1.647 33.426 31.823 -0.073 0.000 0.999 325 V HN 0.607 nan 8.190 nan 0.000 0.447 326 D N 4.375 124.613 120.400 -0.270 0.000 2.325 326 D HA 0.094 4.734 4.640 -0.000 0.000 0.251 326 D C 0.223 176.273 176.300 -0.416 0.000 1.196 326 D CA -0.268 53.465 54.000 -0.446 0.000 0.866 326 D CB 1.118 41.722 40.800 -0.326 0.000 1.101 326 D HN 0.652 nan 8.370 nan 0.000 0.476 327 Y N 1.284 121.299 120.300 -0.475 0.000 2.583 327 Y HA 0.278 4.828 4.550 -0.000 0.000 0.294 327 Y C 1.548 177.150 175.900 -0.496 0.000 1.170 327 Y CA -0.598 57.187 58.100 -0.524 0.000 1.265 327 Y CB -0.327 37.714 38.460 -0.699 0.000 1.119 327 Y HN 0.099 nan 8.280 nan 0.000 0.522 328 T N -0.088 114.233 114.554 -0.388 0.000 2.951 328 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 328 T C -0.020 174.719 174.700 0.065 0.000 1.073 328 T CA 1.628 63.638 62.100 -0.151 0.000 1.134 328 T CB -0.125 68.662 68.868 -0.136 0.000 0.884 328 T HN 0.370 nan 8.240 nan 0.000 0.479 329 D N 0.038 120.431 120.400 -0.012 0.000 2.365 329 D HA 0.209 4.849 4.640 -0.000 0.000 0.235 329 D C 0.408 176.699 176.300 -0.016 0.000 1.368 329 D CA -0.275 53.738 54.000 0.021 0.000 1.001 329 D CB 0.697 41.504 40.800 0.011 0.000 1.364 329 D HN 0.059 nan 8.370 nan 0.000 0.577 330 L N 1.813 123.033 121.223 -0.004 0.000 2.492 330 L HA 0.092 4.432 4.340 -0.000 0.000 0.223 330 L C 1.305 178.161 176.870 -0.022 0.000 1.132 330 L CA 0.416 55.236 54.840 -0.032 0.000 0.850 330 L CB 0.175 42.207 42.059 -0.045 0.000 0.966 330 L HN 0.269 nan 8.230 nan 0.000 0.454 331 D N -0.076 120.320 120.400 -0.007 0.000 2.216 331 D HA -0.005 4.635 4.640 -0.000 0.000 0.208 331 D C 0.657 176.948 176.300 -0.015 0.000 0.960 331 D CA 0.818 54.812 54.000 -0.010 0.000 0.861 331 D CB 0.166 40.966 40.800 0.001 0.000 0.985 331 D HN 0.273 nan 8.370 nan 0.000 0.493 332 N N 1.499 120.191 118.700 -0.013 0.000 3.112 332 N HA 0.127 4.867 4.740 -0.000 0.000 0.270 332 N C -0.532 174.961 175.510 -0.028 0.000 1.385 332 N CA -0.266 52.773 53.050 -0.018 0.000 0.986 332 N CB 1.448 39.928 38.487 -0.012 0.000 1.261 332 N HN 0.055 nan 8.380 nan 0.000 0.495 333 L N 1.694 122.898 121.223 -0.032 0.000 2.433 333 L HA 0.126 4.466 4.340 -0.000 0.000 0.275 333 L C 0.174 177.018 176.870 -0.044 0.000 1.128 333 L CA 0.254 55.070 54.840 -0.040 0.000 0.875 333 L CB 0.103 42.143 42.059 -0.032 0.000 1.171 333 L HN 0.077 nan 8.230 nan 0.000 0.463 334 K N 3.657 124.018 120.400 -0.064 0.000 2.156 334 K HA 0.623 4.943 4.320 -0.000 0.000 0.271 334 K C -0.276 176.279 176.600 -0.076 0.000 0.995 334 K CA -0.471 55.774 56.287 -0.069 0.000 0.890 334 K CB 1.360 33.808 32.500 -0.087 0.000 1.073 334 K HN 0.753 nan 8.250 nan 0.000 0.454 335 T N -1.601 112.917 114.554 -0.059 0.000 2.868 335 T HA 0.376 4.726 4.350 -0.000 0.000 0.306 335 T C -0.626 174.039 174.700 -0.058 0.000 1.224 335 T CA -0.812 61.252 62.100 -0.059 0.000 1.012 335 T CB 1.780 70.636 68.868 -0.020 0.000 1.221 335 T HN 0.289 nan 8.240 nan 0.000 0.499 336 T N 1.936 116.450 114.554 -0.068 0.000 2.815 336 T HA 0.447 4.797 4.350 -0.000 0.000 0.289 336 T C -0.717 173.952 174.700 -0.053 0.000 1.000 336 T CA -0.577 61.486 62.100 -0.061 0.000 0.958 336 T CB 1.223 70.046 68.868 -0.075 0.000 0.944 336 T HN 0.778 nan 8.240 nan 0.000 0.442 337 E N 4.677 124.855 120.200 -0.037 0.000 2.014 337 E HA 0.296 4.646 4.350 -0.000 0.000 0.275 337 E C -0.623 175.956 176.600 -0.034 0.000 0.997 337 E CA -0.447 55.935 56.400 -0.029 0.000 0.804 337 E CB 0.374 30.068 29.700 -0.010 0.000 1.090 337 E HN 0.592 nan 8.360 nan 0.000 0.401 338 I N 3.447 123.986 120.570 -0.051 0.000 2.325 338 I HA 0.082 4.252 4.170 -0.000 0.000 0.291 338 I C 0.299 176.367 176.117 -0.082 0.000 1.019 338 I CA -0.389 60.873 61.300 -0.064 0.000 1.302 338 I CB 1.471 39.426 38.000 -0.076 0.000 1.401 338 I HN 0.367 nan 8.210 nan 0.000 0.485 339 S N 5.125 120.782 115.700 -0.072 0.000 2.510 339 S HA 0.436 4.906 4.470 -0.000 0.000 0.279 339 S C 0.549 174.976 174.600 -0.288 0.000 1.284 339 S CA -0.228 57.908 58.200 -0.107 0.000 1.059 339 S CB 1.230 64.453 63.200 0.039 0.000 0.901 339 S HN 0.804 nan 8.310 nan 0.000 0.491 340 A N 3.455 125.941 122.820 -0.556 0.000 2.290 340 A HA 0.799 5.119 4.320 -0.000 0.000 0.204 340 A C -0.291 176.731 177.584 -0.936 0.000 2.001 340 A CA -0.192 51.509 52.037 -0.560 0.000 1.643 340 A CB 0.139 18.938 19.000 -0.334 0.000 1.293 340 A HN 0.586 nan 8.150 nan 0.000 0.474 341 E N -0.056 119.742 120.200 -0.669 0.000 2.356 341 E HA 0.542 4.892 4.350 -0.000 0.000 0.275 341 E C -1.067 175.396 176.600 -0.229 0.000 0.904 341 E CA -0.501 55.630 56.400 -0.448 0.000 0.757 341 E CB 1.327 30.924 29.700 -0.172 0.000 1.232 341 E HN 0.429 nan 8.360 nan 0.000 0.442 342 R N 2.147 122.609 120.500 -0.063 0.000 2.679 342 R HA 0.346 4.686 4.340 -0.000 0.000 0.269 342 R C -0.343 175.789 176.300 -0.279 0.000 1.076 342 R CA 0.086 56.004 56.100 -0.303 0.000 1.160 342 R CB 0.142 30.079 30.300 -0.606 0.000 1.054 342 R HN 0.650 nan 8.270 nan 0.000 0.507 343 F N -1.506 118.458 119.950 0.022 0.000 2.893 343 F HA -0.200 4.327 4.527 -0.000 0.000 0.287 343 F C -0.133 175.691 175.800 0.041 0.000 0.766 343 F CA -0.270 57.745 58.000 0.024 0.000 1.362 343 F CB -2.219 36.796 39.000 0.026 0.000 1.518 343 F HN 0.382 nan 8.300 nan 0.000 0.417 344 L N 0.300 121.591 121.223 0.112 0.000 2.490 344 L HA 0.197 4.537 4.340 -0.000 0.000 0.274 344 L C 1.400 178.385 176.870 0.192 0.000 1.201 344 L CA 0.705 55.603 54.840 0.097 0.000 0.869 344 L CB 0.610 42.685 42.059 0.027 0.000 1.123 344 L HN 0.390 nan 8.230 nan 0.000 0.484 345 H N 0.718 119.830 119.070 0.070 0.000 4.278 345 H HA 0.199 4.755 4.556 -0.000 0.000 0.116 345 H C -0.726 174.655 175.328 0.090 0.000 1.206 345 H CA 0.173 56.277 56.048 0.093 0.000 0.893 345 H CB 0.588 30.409 29.762 0.098 0.000 1.325 345 H HN 0.712 nan 8.280 nan 0.000 0.241 346 D N 0.059 120.458 120.400 -0.001 0.000 2.392 346 D HA 0.568 5.208 4.640 -0.000 0.000 0.246 346 D C 0.283 176.607 176.300 0.040 0.000 1.013 346 D CA -0.359 53.616 54.000 -0.042 0.000 0.993 346 D CB 2.152 42.902 40.800 -0.083 0.000 1.219 346 D HN 0.690 nan 8.370 nan 0.000 0.538 347 G N -2.221 106.645 108.800 0.110 0.000 2.441 347 G HA2 0.617 4.577 3.960 -0.000 0.000 0.294 347 G HA3 0.617 4.577 3.960 -0.000 0.000 0.294 347 G C -1.214 173.853 174.900 0.278 0.000 1.393 347 G CA -0.370 44.783 45.100 0.089 0.000 0.796 347 G HN 0.808 nan 8.290 nan 0.000 0.494 348 G N -1.409 107.553 108.800 0.270 0.000 2.682 348 G HA2 0.659 4.619 3.960 -0.000 0.000 0.290 348 G HA3 0.659 4.619 3.960 -0.000 0.000 0.290 348 G C -0.931 174.249 174.900 0.467 0.000 1.425 348 G CA -0.893 44.497 45.100 0.484 0.000 0.807 348 G HN 0.676 nan 8.290 nan 0.000 0.482 349 L N 1.202 122.794 121.223 0.615 0.000 2.399 349 L HA 0.319 4.659 4.340 -0.000 0.000 0.266 349 L C 0.669 177.776 176.870 0.394 0.000 1.114 349 L CA -1.021 54.068 54.840 0.416 0.000 0.804 349 L CB 0.987 43.243 42.059 0.329 0.000 1.146 349 L HN 0.751 nan 8.230 nan 0.000 0.451 350 D N 1.075 121.660 120.400 0.309 0.000 2.414 350 D HA -0.000 4.640 4.640 -0.000 0.000 0.251 350 D C 1.116 177.574 176.300 0.264 0.000 1.252 350 D CA -0.035 54.152 54.000 0.311 0.000 0.999 350 D CB 1.047 42.045 40.800 0.330 0.000 1.093 350 D HN 0.616 nan 8.370 nan 0.000 0.515 351 G N -0.663 108.245 108.800 0.181 0.000 2.450 351 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 351 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 351 G C 1.430 176.304 174.900 -0.043 0.000 1.130 351 G CA 1.269 46.396 45.100 0.044 0.000 0.760 351 G HN 0.592 nan 8.290 nan 0.000 0.557 352 S N -1.289 114.455 115.700 0.074 0.000 2.593 352 S HA 0.082 4.552 4.470 -0.000 0.000 0.217 352 S C 0.979 175.672 174.600 0.154 0.000 0.966 352 S CA 0.667 58.905 58.200 0.064 0.000 0.914 352 S CB -0.555 62.741 63.200 0.160 0.000 0.776 352 S HN 0.669 nan 8.310 nan 0.000 0.523 353 H N -0.381 118.753 119.070 0.108 0.000 3.047 353 H HA -0.182 4.374 4.556 -0.000 0.000 0.263 353 H C 1.412 176.853 175.328 0.187 0.000 1.168 353 H CA 0.903 57.030 56.048 0.132 0.000 1.152 353 H CB -0.905 28.851 29.762 -0.010 0.000 1.278 353 H HN 0.518 nan 8.280 nan 0.000 0.339 354 R N 0.100 120.665 120.500 0.109 0.000 2.175 354 R HA 0.092 4.432 4.340 -0.000 0.000 0.202 354 R C -0.221 175.748 176.300 -0.551 0.000 1.018 354 R CA 0.525 56.323 56.100 -0.502 0.000 1.029 354 R CB 0.553 30.371 30.300 -0.803 0.000 0.959 354 R HN 0.149 nan 8.270 nan 0.000 0.480 355 Y N -0.502 119.810 120.300 0.019 0.000 2.409 355 Y HA 0.310 4.860 4.550 -0.000 0.000 0.339 355 Y C -0.726 175.197 175.900 0.038 0.000 1.033 355 Y CA -1.331 56.760 58.100 -0.015 0.000 1.094 355 Y CB 1.310 39.779 38.460 0.015 0.000 1.210 355 Y HN -0.107 nan 8.280 nan 0.000 0.456 356 F N 4.720 124.637 119.950 -0.056 0.000 2.404 356 F HA 0.626 5.153 4.527 -0.000 0.000 0.354 356 F C -0.983 174.671 175.800 -0.243 0.000 1.122 356 F CA -1.827 56.105 58.000 -0.115 0.000 1.080 356 F CB 0.280 39.210 39.000 -0.117 0.000 1.131 356 F HN 0.322 nan 8.300 nan 0.000 0.471 357 I N 5.853 125.973 120.570 -0.750 0.000 2.382 357 I HA 0.345 4.515 4.170 -0.000 0.000 0.286 357 I C -0.161 175.286 176.117 -1.118 0.000 1.002 357 I CA -0.380 60.316 61.300 -1.007 0.000 1.135 357 I CB 1.792 39.002 38.000 -1.316 0.000 1.288 357 I HN 0.580 nan 8.210 nan 0.000 0.448 358 T N 4.581 118.566 114.554 -0.948 0.000 2.909 358 T HA 0.745 5.095 4.350 -0.000 0.000 0.299 358 T C -0.872 173.646 174.700 -0.302 0.000 1.073 358 T CA -0.495 61.226 62.100 -0.632 0.000 0.999 358 T CB 1.539 69.931 68.868 -0.793 0.000 1.098 358 T HN 0.605 nan 8.240 nan 0.000 0.477 359 A N 2.317 125.072 122.820 -0.108 0.000 2.328 359 A HA 0.720 5.040 4.320 -0.000 0.000 0.284 359 A C 0.503 178.102 177.584 0.025 0.000 1.160 359 A CA -0.305 51.724 52.037 -0.015 0.000 0.818 359 A CB 0.187 19.214 19.000 0.045 0.000 1.087 359 A HN 1.151 nan 8.150 nan 0.000 0.504 360 A N 3.453 126.290 122.820 0.029 0.000 3.000 360 A HA 0.380 4.700 4.320 -0.000 0.000 0.315 360 A C 1.093 178.755 177.584 0.129 0.000 1.434 360 A CA -0.270 51.821 52.037 0.090 0.000 1.108 360 A CB -0.790 18.240 19.000 0.050 0.000 1.171 360 A HN 1.031 nan 8.150 nan 0.000 0.524 361 N N 2.304 121.078 118.700 0.123 0.000 2.060 361 N HA -0.270 4.470 4.740 -0.000 0.000 0.195 361 N C 1.419 176.956 175.510 0.045 0.000 1.028 361 N CA 2.395 55.491 53.050 0.076 0.000 0.861 361 N CB -0.545 37.970 38.487 0.046 0.000 1.029 361 N HN 0.484 nan 8.380 nan 0.000 0.428 362 A N -0.234 122.588 122.820 0.004 0.000 2.121 362 A HA 0.018 4.338 4.320 -0.000 0.000 0.218 362 A C 1.946 179.537 177.584 0.013 0.000 1.154 362 A CA 0.882 52.839 52.037 -0.134 0.000 0.679 362 A CB -0.344 18.285 19.000 -0.617 0.000 0.795 362 A HN 0.424 nan 8.150 nan 0.000 0.458 363 R N -0.729 119.851 120.500 0.134 0.000 2.468 363 R HA 0.104 4.444 4.340 -0.000 0.000 0.280 363 R C -0.324 176.033 176.300 0.094 0.000 0.963 363 R CA -0.016 56.164 56.100 0.134 0.000 1.083 363 R CB 0.181 30.598 30.300 0.195 0.000 1.200 363 R HN 0.432 nan 8.270 nan 0.000 0.541 364 N N 1.698 120.450 118.700 0.087 0.000 2.708 364 N HA -0.175 4.565 4.740 -0.000 0.000 0.249 364 N C -0.817 174.743 175.510 0.083 0.000 1.097 364 N CA 1.351 54.459 53.050 0.096 0.000 0.710 364 N CB -0.593 37.949 38.487 0.091 0.000 1.032 364 N HN 0.220 nan 8.380 nan 0.000 0.551 365 K N 0.401 120.839 120.400 0.063 0.000 2.208 365 K HA 0.569 4.889 4.320 -0.000 0.000 0.247 365 K C 0.480 177.078 176.600 -0.002 0.000 0.953 365 K CA -0.601 55.704 56.287 0.029 0.000 0.837 365 K CB 1.836 34.344 32.500 0.013 0.000 1.131 365 K HN 0.046 nan 8.250 nan 0.000 0.431 366 L N 1.804 123.007 121.223 -0.033 0.000 2.333 366 L HA 0.428 4.768 4.340 -0.000 0.000 0.280 366 L C -0.520 176.243 176.870 -0.179 0.000 1.004 366 L CA -1.164 53.616 54.840 -0.100 0.000 0.820 366 L CB 1.896 43.914 42.059 -0.068 0.000 1.247 366 L HN 0.130 nan 8.230 nan 0.000 0.416 367 V N 4.122 123.878 119.914 -0.264 0.000 2.483 367 V HA 0.473 4.593 4.120 -0.000 0.000 0.295 367 V C -0.088 175.748 176.094 -0.430 0.000 1.035 367 V CA -0.622 61.497 62.300 -0.301 0.000 0.896 367 V CB 2.246 33.907 31.823 -0.272 0.000 0.986 367 V HN 0.412 nan 8.190 nan 0.000 0.447 368 V N 5.961 125.604 119.914 -0.451 0.000 2.487 368 V HA 0.559 4.679 4.120 -0.000 0.000 0.298 368 V C -0.603 175.223 176.094 -0.446 0.000 1.028 368 V CA -0.507 61.434 62.300 -0.598 0.000 0.860 368 V CB 1.679 32.885 31.823 -1.029 0.000 0.991 368 V HN 0.643 nan 8.190 nan 0.000 0.427 369 I N 3.261 123.664 120.570 -0.279 0.000 2.474 369 I HA 0.425 4.595 4.170 -0.000 0.000 0.294 369 I C -0.271 175.820 176.117 -0.043 0.000 1.005 369 I CA -0.216 61.009 61.300 -0.125 0.000 1.113 369 I CB 1.915 39.918 38.000 0.006 0.000 1.289 369 I HN 0.572 nan 8.210 nan 0.000 0.436 370 D N 3.607 123.978 120.400 -0.048 0.000 2.365 370 D HA 0.090 4.730 4.640 -0.000 0.000 0.237 370 D C 1.211 177.378 176.300 -0.222 0.000 1.190 370 D CA -0.034 53.887 54.000 -0.131 0.000 0.867 370 D CB 1.093 41.871 40.800 -0.035 0.000 1.050 370 D HN 0.691 nan 8.370 nan 0.000 0.491 371 T N 1.103 115.475 114.554 -0.302 0.000 3.035 371 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 371 T C 1.567 176.116 174.700 -0.251 0.000 1.109 371 T CA 0.805 62.760 62.100 -0.242 0.000 1.119 371 T CB 0.123 68.868 68.868 -0.204 0.000 0.900 371 T HN 0.388 nan 8.240 nan 0.000 0.503 372 K N 1.162 121.340 120.400 -0.371 0.000 2.021 372 K HA -0.022 4.298 4.320 -0.000 0.000 0.205 372 K C 2.127 178.654 176.600 -0.123 0.000 1.047 372 K CA 1.272 57.421 56.287 -0.231 0.000 0.943 372 K CB -0.021 32.299 32.500 -0.301 0.000 0.725 372 K HN 0.430 nan 8.250 nan 0.000 0.439 373 E N -0.805 119.319 120.200 -0.126 0.000 2.385 373 E HA 0.053 4.403 4.350 -0.000 0.000 0.194 373 E C 0.364 176.918 176.600 -0.078 0.000 1.013 373 E CA 0.409 56.764 56.400 -0.076 0.000 0.866 373 E CB 0.412 30.081 29.700 -0.050 0.000 0.832 373 E HN 0.602 nan 8.360 nan 0.000 0.500 374 G N 2.025 110.765 108.800 -0.100 0.000 2.256 374 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.272 374 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.272 374 G C -0.277 174.576 174.900 -0.079 0.000 1.076 374 G CA 0.469 45.512 45.100 -0.095 0.000 0.882 374 G HN 0.110 nan 8.290 nan 0.000 0.497 375 K N -1.131 119.223 120.400 -0.076 0.000 2.477 375 K HA 0.625 4.945 4.320 -0.000 0.000 0.255 375 K C -0.234 176.315 176.600 -0.084 0.000 0.952 375 K CA -1.252 54.994 56.287 -0.069 0.000 0.826 375 K CB 2.272 34.742 32.500 -0.051 0.000 1.331 375 K HN 0.191 nan 8.250 nan 0.000 0.437 376 L N 1.990 123.157 121.223 -0.093 0.000 2.453 376 L HA 0.060 4.400 4.340 -0.000 0.000 0.272 376 L C 0.191 176.975 176.870 -0.143 0.000 1.182 376 L CA 0.595 55.357 54.840 -0.130 0.000 0.858 376 L CB 1.059 43.042 42.059 -0.126 0.000 1.120 376 L HN 0.587 nan 8.230 nan 0.000 0.474 377 V N 4.088 123.866 119.914 -0.226 0.000 3.359 377 V HA 0.607 4.727 4.120 -0.000 0.000 0.245 377 V C 0.469 176.389 176.094 -0.289 0.000 1.247 377 V CA 0.700 62.844 62.300 -0.260 0.000 1.145 377 V CB 0.442 32.040 31.823 -0.376 0.000 0.906 377 V HN 0.995 nan 8.190 nan 0.000 0.464 378 A N -0.281 122.332 122.820 -0.344 0.000 2.586 378 A HA 0.787 5.107 4.320 -0.000 0.000 0.291 378 A C -1.741 175.714 177.584 -0.216 0.000 1.062 378 A CA -0.345 51.548 52.037 -0.239 0.000 0.666 378 A CB 1.394 20.244 19.000 -0.251 0.000 1.281 378 A HN 0.084 nan 8.150 nan 0.000 0.421 379 I N 1.299 121.791 120.570 -0.130 0.000 2.534 379 I HA 0.439 4.609 4.170 -0.000 0.000 0.286 379 I C -1.108 174.977 176.117 -0.052 0.000 1.094 379 I CA -0.415 60.820 61.300 -0.108 0.000 1.055 379 I CB 2.033 39.977 38.000 -0.094 0.000 1.225 379 I HN 0.573 nan 8.210 nan 0.000 0.435 380 E N 4.108 124.284 120.200 -0.039 0.000 2.340 380 E HA 0.309 4.659 4.350 -0.000 0.000 0.273 380 E C -1.437 175.169 176.600 0.011 0.000 0.891 380 E CA -0.718 55.679 56.400 -0.005 0.000 0.757 380 E CB 2.984 32.691 29.700 0.012 0.000 1.231 380 E HN 0.461 nan 8.360 nan 0.000 0.439 381 D N 1.001 121.414 120.400 0.021 0.000 2.304 381 D HA 0.044 4.684 4.640 -0.000 0.000 0.250 381 D C 0.969 177.298 176.300 0.049 0.000 1.107 381 D CA 0.127 54.150 54.000 0.037 0.000 0.885 381 D CB 1.250 42.069 40.800 0.031 0.000 1.192 381 D HN 0.444 nan 8.370 nan 0.000 0.436 382 T N 0.512 115.117 114.554 0.085 0.000 3.088 382 T HA 0.157 4.507 4.350 -0.000 0.000 0.259 382 T C 1.466 176.202 174.700 0.060 0.000 1.122 382 T CA 0.804 62.973 62.100 0.116 0.000 1.095 382 T CB 0.077 69.108 68.868 0.271 0.000 0.930 382 T HN 0.651 nan 8.240 nan 0.000 0.508 383 G N 0.303 109.120 108.800 0.028 0.000 2.179 383 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.260 383 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.260 383 G C 0.412 175.255 174.900 -0.095 0.000 0.977 383 G CA -0.009 45.076 45.100 -0.024 0.000 0.641 383 G HN 1.094 nan 8.290 nan 0.000 0.533 384 G N -1.358 107.355 108.800 -0.146 0.000 2.667 384 G HA2 0.611 4.571 3.960 -0.000 0.000 0.310 384 G HA3 0.611 4.571 3.960 -0.000 0.000 0.310 384 G C -0.643 174.189 174.900 -0.112 0.000 1.259 384 G CA -0.426 44.411 45.100 -0.439 0.000 1.019 384 G HN 0.201 nan 8.290 nan 0.000 0.496 385 Q N 0.756 120.505 119.800 -0.085 0.000 2.372 385 Q HA 0.393 4.733 4.340 -0.000 0.000 0.259 385 Q C -0.475 175.646 176.000 0.202 0.000 0.993 385 Q CA -0.199 55.646 55.803 0.069 0.000 0.854 385 Q CB 1.126 29.867 28.738 0.006 0.000 1.231 385 Q HN 0.704 nan 8.270 nan 0.000 0.462 386 T N 2.675 117.333 114.554 0.174 0.000 3.318 386 T HA -0.094 4.256 4.350 -0.000 0.000 0.428 386 T C -2.435 172.325 174.700 0.100 0.000 0.768 386 T CA -0.200 61.967 62.100 0.112 0.000 2.218 386 T CB -1.061 67.833 68.868 0.044 0.000 1.689 386 T HN 0.442 nan 8.240 nan 0.000 0.671 387 P HA 0.108 nan 4.420 nan 0.000 0.268 387 P C -0.276 176.972 177.300 -0.086 0.000 1.204 387 P CA 0.260 63.146 63.100 -0.356 0.000 0.768 387 P CB 0.544 32.071 31.700 -0.288 0.000 0.842 388 H N 5.855 124.802 119.070 -0.206 0.000 2.651 388 H HA 0.213 4.769 4.556 -0.000 0.000 0.252 388 H C -2.134 173.122 175.328 -0.120 0.000 1.365 388 H CA -1.855 54.130 56.048 -0.106 0.000 1.539 388 H CB 1.515 31.193 29.762 -0.139 0.000 1.621 388 H HN 0.228 nan 8.280 nan 0.000 0.526 389 P HA 0.080 nan 4.420 nan 0.000 0.227 389 P C 1.020 178.330 177.300 0.017 0.000 1.161 389 P CA 1.500 64.558 63.100 -0.069 0.000 0.788 389 P CB 1.215 32.967 31.700 0.087 0.000 0.822 390 G N 1.717 110.475 108.800 -0.071 0.000 2.536 390 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.280 390 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.280 390 G C 0.837 175.823 174.900 0.144 0.000 1.152 390 G CA 0.286 45.514 45.100 0.212 0.000 0.970 390 G HN 0.280 nan 8.290 nan 0.000 0.549 391 R N 1.650 122.195 120.500 0.075 0.000 2.317 391 R HA 0.445 4.785 4.340 -0.000 0.000 0.208 391 R C 1.429 177.778 176.300 0.083 0.000 0.914 391 R CA 1.127 57.167 56.100 -0.099 0.000 1.060 391 R CB -0.089 29.819 30.300 -0.654 0.000 1.015 391 R HN 2.035 nan 8.270 nan 0.000 0.498 392 G N 0.530 109.375 108.800 0.075 0.000 2.782 392 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.228 392 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.228 392 G C -0.907 173.944 174.900 -0.082 0.000 1.372 392 G CA -0.476 44.482 45.100 -0.237 0.000 0.862 392 G HN 0.368 nan 8.290 nan 0.000 0.547 393 A N 0.339 122.974 122.820 -0.308 0.000 2.357 393 A HA 0.726 5.046 4.320 -0.000 0.000 0.295 393 A C -0.196 177.479 177.584 0.152 0.000 1.121 393 A CA -0.534 51.560 52.037 0.094 0.000 0.742 393 A CB 0.958 20.067 19.000 0.181 0.000 1.181 393 A HN 0.766 nan 8.150 nan 0.000 0.454 394 N N 1.726 120.616 118.700 0.316 0.000 2.473 394 N HA 0.802 5.542 4.740 -0.000 0.000 0.291 394 N C -0.826 174.880 175.510 0.326 0.000 1.083 394 N CA 0.278 53.491 53.050 0.272 0.000 0.951 394 N CB 1.581 40.227 38.487 0.265 0.000 1.164 394 N HN 0.694 nan 8.380 nan 0.000 0.480 395 F N -2.305 117.720 119.950 0.125 0.000 2.807 395 F HA 0.437 4.964 4.527 -0.000 0.000 0.316 395 F C -1.633 174.223 175.800 0.092 0.000 1.162 395 F CA -1.211 56.844 58.000 0.093 0.000 0.910 395 F CB 0.629 39.687 39.000 0.097 0.000 1.314 395 F HN 0.012 nan 8.300 nan 0.000 0.454 396 V N 2.709 122.817 119.914 0.323 0.000 2.333 396 V HA 0.239 4.359 4.120 -0.000 0.000 0.274 396 V C 0.060 176.360 176.094 0.342 0.000 1.028 396 V CA -0.404 62.008 62.300 0.187 0.000 0.851 396 V CB 0.433 32.331 31.823 0.125 0.000 1.000 396 V HN 0.871 nan 8.190 nan 0.000 0.456 397 H N 7.906 127.073 119.070 0.163 0.000 2.707 397 H HA 0.179 4.735 4.556 -0.000 0.000 0.359 397 H C -1.838 173.558 175.328 0.113 0.000 1.113 397 H CA -1.583 54.625 56.048 0.267 0.000 1.422 397 H CB 2.112 32.038 29.762 0.275 0.000 1.443 397 H HN 0.342 nan 8.280 nan 0.000 0.591 398 P HA -0.103 nan 4.420 nan 0.000 0.221 398 P C 0.935 178.262 177.300 0.045 0.000 1.145 398 P CA 2.023 65.087 63.100 -0.061 0.000 0.795 398 P CB 0.358 31.952 31.700 -0.178 0.000 0.775 399 T N -7.047 107.632 114.554 0.207 0.000 3.010 399 T HA 0.139 4.489 4.350 -0.000 0.000 0.252 399 T C 1.284 175.977 174.700 -0.012 0.000 0.963 399 T CA -0.070 62.036 62.100 0.010 0.000 0.952 399 T CB -0.750 68.001 68.868 -0.196 0.000 1.182 399 T HN -0.185 nan 8.240 nan 0.000 0.495 400 F N 2.989 123.006 119.950 0.111 0.000 2.416 400 F HA 0.528 5.055 4.527 -0.000 0.000 0.296 400 F C 1.971 177.612 175.800 -0.266 0.000 1.099 400 F CA 0.367 58.284 58.000 -0.137 0.000 1.427 400 F CB -0.655 38.100 39.000 -0.408 0.000 1.079 400 F HN 0.672 nan 8.300 nan 0.000 0.536 401 G N -0.571 108.170 108.800 -0.099 0.000 2.526 401 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.250 401 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.250 401 G C -2.935 171.795 174.900 -0.284 0.000 1.289 401 G CA -1.336 43.440 45.100 -0.541 0.000 0.947 401 G HN -0.086 nan 8.290 nan 0.000 0.517 402 P HA 0.427 nan 4.420 nan 0.000 0.264 402 P C 0.192 177.355 177.300 -0.229 0.000 1.193 402 P CA 0.538 63.527 63.100 -0.183 0.000 0.763 402 P CB 1.066 32.691 31.700 -0.124 0.000 0.810 403 V N 0.593 120.354 119.914 -0.255 0.000 3.159 403 V HA 0.733 4.853 4.120 -0.000 0.000 0.308 403 V C -1.766 174.238 176.094 -0.150 0.000 1.190 403 V CA -1.186 60.967 62.300 -0.246 0.000 1.037 403 V CB 2.343 33.968 31.823 -0.331 0.000 1.060 403 V HN 0.585 nan 8.190 nan 0.000 0.437 404 W N 1.541 122.723 121.300 -0.197 0.000 2.736 404 W HA 0.878 5.538 4.660 -0.000 0.000 0.335 404 W C -0.372 176.131 176.519 -0.026 0.000 1.059 404 W CA -0.047 57.267 57.345 -0.052 0.000 1.226 404 W CB 1.905 31.398 29.460 0.054 0.000 1.416 404 W HN 1.068 nan 8.180 nan 0.000 0.505 405 A N 3.112 125.691 122.820 -0.402 0.000 2.384 405 A HA 0.845 5.165 4.320 -0.000 0.000 0.312 405 A C -1.027 176.101 177.584 -0.760 0.000 1.113 405 A CA -0.588 51.245 52.037 -0.340 0.000 0.779 405 A CB 1.996 21.002 19.000 0.009 0.000 1.307 405 A HN 0.530 nan 8.150 nan 0.000 0.436 406 T N -0.321 113.984 114.554 -0.416 0.000 2.932 406 T HA 0.614 4.964 4.350 -0.000 0.000 0.318 406 T C -0.109 174.475 174.700 -0.193 0.000 1.265 406 T CA 0.215 62.091 62.100 -0.374 0.000 1.036 406 T CB 1.096 69.775 68.868 -0.315 0.000 1.209 406 T HN 1.564 nan 8.240 nan 0.000 0.484 407 S N 2.738 118.353 115.700 -0.141 0.000 2.718 407 S HA 0.831 5.301 4.470 -0.000 0.000 0.292 407 S C -0.837 173.693 174.600 -0.116 0.000 1.125 407 S CA -0.528 57.664 58.200 -0.014 0.000 1.013 407 S CB 0.783 64.003 63.200 0.034 0.000 1.192 407 S HN 0.830 nan 8.310 nan 0.000 0.535 408 H N -1.232 117.826 119.070 -0.020 0.000 2.865 408 H HA 0.512 5.068 4.556 -0.000 0.000 0.372 408 H C 0.401 175.714 175.328 -0.024 0.000 1.173 408 H CA -0.782 55.261 56.048 -0.007 0.000 1.147 408 H CB 1.394 31.146 29.762 -0.015 0.000 1.805 408 H HN 0.490 nan 8.280 nan 0.000 0.553 409 M N 0.361 120.013 119.600 0.087 0.000 2.325 409 M HA 0.088 4.568 4.480 -0.000 0.000 0.265 409 M C 2.037 178.351 176.300 0.024 0.000 1.094 409 M CA 1.395 56.697 55.300 0.002 0.000 1.161 409 M CB 0.116 32.684 32.600 -0.054 0.000 1.358 409 M HN 0.852 nan 8.290 nan 0.000 0.446 410 G N 0.762 109.596 108.800 0.056 0.000 2.534 410 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.217 410 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.217 410 G C -0.111 174.796 174.900 0.012 0.000 1.128 410 G CA 0.695 45.812 45.100 0.028 0.000 0.784 410 G HN 0.557 nan 8.290 nan 0.000 0.542 411 D N -1.967 118.445 120.400 0.021 0.000 2.692 411 D HA 0.160 4.800 4.640 -0.000 0.000 0.303 411 D C -0.287 176.012 176.300 -0.002 0.000 1.278 411 D CA -0.496 53.492 54.000 -0.019 0.000 0.852 411 D CB 0.123 40.877 40.800 -0.077 0.000 1.375 411 D HN -0.032 nan 8.370 nan 0.000 0.453 412 D N -0.974 119.420 120.400 -0.009 0.000 2.328 412 D HA 0.055 4.695 4.640 -0.000 0.000 0.226 412 D C 0.097 176.399 176.300 0.004 0.000 1.066 412 D CA -0.143 53.864 54.000 0.011 0.000 0.861 412 D CB -0.516 40.302 40.800 0.031 0.000 0.912 412 D HN 0.375 nan 8.370 nan 0.000 0.521 413 S N -0.587 115.073 115.700 -0.066 0.000 2.601 413 S HA 0.489 4.959 4.470 -0.000 0.000 0.271 413 S C -0.056 174.502 174.600 -0.070 0.000 1.305 413 S CA -0.785 57.339 58.200 -0.128 0.000 1.022 413 S CB 1.872 64.916 63.200 -0.260 0.000 0.940 413 S HN -0.022 nan 8.310 nan 0.000 0.525 414 V N 1.708 121.452 119.914 -0.283 0.000 2.487 414 V HA 0.775 4.895 4.120 -0.000 0.000 0.298 414 V C 0.170 175.966 176.094 -0.496 0.000 1.028 414 V CA -0.489 61.566 62.300 -0.409 0.000 0.860 414 V CB 1.171 32.508 31.823 -0.811 0.000 0.991 414 V HN 1.240 nan 8.190 nan 0.000 0.427 415 A N 5.832 128.537 122.820 -0.192 0.000 2.355 415 A HA 0.956 5.276 4.320 -0.000 0.000 0.324 415 A C -1.057 176.484 177.584 -0.071 0.000 1.117 415 A CA -0.615 51.352 52.037 -0.116 0.000 0.785 415 A CB 1.226 20.254 19.000 0.048 0.000 1.254 415 A HN 0.775 nan 8.150 nan 0.000 0.453 416 L N 2.341 123.535 121.223 -0.048 0.000 2.346 416 L HA 0.620 4.960 4.340 -0.000 0.000 0.276 416 L C -0.601 176.240 176.870 -0.048 0.000 1.006 416 L CA -0.399 54.428 54.840 -0.022 0.000 0.817 416 L CB 1.723 43.781 42.059 -0.001 0.000 1.272 416 L HN 0.712 nan 8.230 nan 0.000 0.421 417 I N 1.062 121.651 120.570 0.031 0.000 2.509 417 I HA 0.549 4.719 4.170 -0.000 0.000 0.293 417 I C 0.459 176.528 176.117 -0.080 0.000 1.020 417 I CA -0.383 60.926 61.300 0.014 0.000 1.088 417 I CB 1.934 40.029 38.000 0.158 0.000 1.267 417 I HN 0.662 nan 8.210 nan 0.000 0.430 418 G N 3.044 111.718 108.800 -0.211 0.000 2.406 418 G HA2 0.338 4.298 3.960 -0.000 0.000 0.251 418 G HA3 0.338 4.298 3.960 -0.000 0.000 0.251 418 G C 0.365 174.922 174.900 -0.573 0.000 1.271 418 G CA 0.152 45.043 45.100 -0.348 0.000 0.859 418 G HN 0.720 nan 8.290 nan 0.000 0.540 419 T N -1.303 112.910 114.554 -0.568 0.000 3.339 419 T HA 0.264 4.614 4.350 -0.000 0.000 0.292 419 T C -0.271 174.045 174.700 -0.641 0.000 1.012 419 T CA -0.410 61.212 62.100 -0.796 0.000 0.937 419 T CB 0.536 69.297 68.868 -0.179 0.000 1.164 419 T HN 0.399 nan 8.240 nan 0.000 0.509 420 D N 1.858 121.910 120.400 -0.579 0.000 2.405 420 D HA 0.346 4.986 4.640 -0.000 0.000 0.264 420 D C -1.729 174.422 176.300 -0.248 0.000 1.240 420 D CA -2.256 51.581 54.000 -0.271 0.000 0.893 420 D CB 1.788 42.542 40.800 -0.077 0.000 1.198 420 D HN -0.019 nan 8.370 nan 0.000 0.514 421 P HA -0.127 nan 4.420 nan 0.000 0.220 421 P C 1.105 178.375 177.300 -0.051 0.000 1.148 421 P CA 0.815 63.800 63.100 -0.192 0.000 0.803 421 P CB 0.633 32.276 31.700 -0.096 0.000 0.782 422 E N -0.063 120.136 120.200 -0.001 0.000 2.042 422 E HA -0.039 4.311 4.350 -0.000 0.000 0.189 422 E C 2.209 178.806 176.600 -0.005 0.000 0.974 422 E CA 1.088 57.499 56.400 0.019 0.000 0.806 422 E CB -0.651 29.079 29.700 0.050 0.000 0.769 422 E HN 0.154 nan 8.360 nan 0.000 0.451 423 G N -1.176 107.637 108.800 0.021 0.000 2.551 423 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.216 423 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.216 423 G C 0.040 174.785 174.900 -0.258 0.000 1.137 423 G CA 0.274 45.345 45.100 -0.048 0.000 0.798 423 G HN 0.231 nan 8.290 nan 0.000 0.536 424 H N -0.375 118.648 119.070 -0.079 0.000 2.514 424 H HA 0.258 4.814 4.556 -0.000 0.000 0.226 424 H C -1.731 173.521 175.328 -0.126 0.000 1.421 424 H CA -1.417 54.581 56.048 -0.084 0.000 1.394 424 H CB 1.608 31.320 29.762 -0.085 0.000 1.701 424 H HN 0.055 nan 8.280 nan 0.000 0.515 425 P HA -0.204 nan 4.420 nan 0.000 0.216 425 P C 0.770 178.035 177.300 -0.059 0.000 1.153 425 P CA 1.362 64.428 63.100 -0.058 0.000 0.858 425 P CB 0.635 32.313 31.700 -0.037 0.000 0.789 426 D N -0.729 119.653 120.400 -0.029 0.000 2.178 426 D HA -0.096 4.544 4.640 -0.000 0.000 0.202 426 D C 1.436 177.708 176.300 -0.047 0.000 0.974 426 D CA 0.892 54.878 54.000 -0.024 0.000 0.841 426 D CB -0.555 40.245 40.800 -0.000 0.000 0.953 426 D HN 0.205 nan 8.370 nan 0.000 0.478 427 N N 0.563 119.228 118.700 -0.058 0.000 2.422 427 N HA 0.062 4.802 4.740 -0.000 0.000 0.181 427 N C 0.340 175.704 175.510 -0.243 0.000 1.080 427 N CA 0.023 52.999 53.050 -0.123 0.000 0.893 427 N CB 0.099 38.531 38.487 -0.092 0.000 0.973 427 N HN 0.010 nan 8.380 nan 0.000 0.456 428 A N 0.476 123.104 122.820 -0.319 0.000 2.537 428 A HA 0.087 4.407 4.320 -0.000 0.000 0.260 428 A C -0.126 177.141 177.584 -0.528 0.000 1.082 428 A CA -0.090 51.543 52.037 -0.674 0.000 0.765 428 A CB -0.966 17.602 19.000 -0.719 0.000 1.019 428 A HN 0.520 nan 8.150 nan 0.000 0.507 429 W N 0.338 121.544 121.300 -0.157 0.000 4.435 429 W HA -0.208 4.452 4.660 -0.000 0.000 0.351 429 W C 0.287 176.734 176.519 -0.120 0.000 1.319 429 W CA 0.761 58.013 57.345 -0.156 0.000 0.791 429 W CB -1.627 27.731 29.460 -0.169 0.000 2.419 429 W HN 0.675 nan 8.180 nan 0.000 1.406 430 K N 0.083 120.480 120.400 -0.005 0.000 2.316 430 K HA 0.519 4.839 4.320 -0.000 0.000 0.251 430 K C -0.171 176.380 176.600 -0.081 0.000 0.934 430 K CA -1.499 54.768 56.287 -0.034 0.000 0.802 430 K CB 1.775 34.234 32.500 -0.068 0.000 1.171 430 K HN -0.289 nan 8.250 nan 0.000 0.426 431 I N 3.592 124.126 120.570 -0.060 0.000 2.494 431 I HA -0.051 4.119 4.170 -0.000 0.000 0.289 431 I C 1.085 177.093 176.117 -0.182 0.000 1.106 431 I CA 0.494 61.743 61.300 -0.084 0.000 1.369 431 I CB 0.047 38.025 38.000 -0.037 0.000 1.410 431 I HN 0.554 nan 8.210 nan 0.000 0.523 432 L N 3.741 124.769 121.223 -0.325 0.000 2.416 432 L HA 0.263 4.602 4.340 -0.000 0.000 0.216 432 L C 0.314 176.877 176.870 -0.511 0.000 1.098 432 L CA 0.430 54.899 54.840 -0.619 0.000 0.840 432 L CB -0.049 41.267 42.059 -1.238 0.000 0.981 432 L HN 0.560 nan 8.230 nan 0.000 0.462 433 D N -1.279 118.973 120.400 -0.246 0.000 2.654 433 D HA 0.343 4.983 4.640 -0.000 0.000 0.231 433 D C -1.506 174.812 176.300 0.029 0.000 1.239 433 D CA -0.172 53.834 54.000 0.010 0.000 0.790 433 D CB 2.367 43.307 40.800 0.233 0.000 1.480 433 D HN -0.242 nan 8.370 nan 0.000 0.442 434 S N 1.741 117.491 115.700 0.085 0.000 2.720 434 S HA 0.727 5.197 4.470 -0.000 0.000 0.278 434 S C -1.643 172.995 174.600 0.062 0.000 1.172 434 S CA -0.708 57.457 58.200 -0.059 0.000 1.019 434 S CB -0.149 63.020 63.200 -0.051 0.000 1.049 434 S HN 0.336 nan 8.310 nan 0.000 0.483 435 F N 2.815 122.782 119.950 0.029 0.000 2.613 435 F HA 0.865 5.392 4.527 -0.000 0.000 0.310 435 F C -2.979 172.871 175.800 0.083 0.000 1.085 435 F CA -2.421 55.617 58.000 0.063 0.000 0.945 435 F CB 0.852 39.896 39.000 0.073 0.000 1.298 435 F HN 0.262 nan 8.300 nan 0.000 0.455 436 P HA 0.523 nan 4.420 nan 0.000 0.276 436 P C -1.034 176.554 177.300 0.480 0.000 1.244 436 P CA 0.043 63.326 63.100 0.306 0.000 0.801 436 P CB 1.985 33.849 31.700 0.274 0.000 1.006 437 A N 1.724 124.676 122.820 0.220 0.000 3.822 437 A HA 0.438 4.758 4.320 -0.000 0.000 0.181 437 A C 1.668 179.039 177.584 -0.356 0.000 0.902 437 A CA -0.541 51.430 52.037 -0.110 0.000 0.825 437 A CB -0.571 18.454 19.000 0.042 0.000 1.447 437 A HN 0.427 nan 8.150 nan 0.000 0.732 438 L N -0.308 120.637 121.223 -0.463 0.000 1.990 438 L HA 0.137 4.477 4.340 -0.000 0.000 0.213 438 L C 1.404 178.245 176.870 -0.048 0.000 1.072 438 L CA 1.754 56.456 54.840 -0.229 0.000 0.755 438 L CB -0.605 41.344 42.059 -0.182 0.000 0.889 438 L HN 0.963 nan 8.230 nan 0.000 0.432 439 G N -2.483 106.295 108.800 -0.037 0.000 2.321 439 G HA2 0.382 4.342 3.960 -0.000 0.000 0.296 439 G HA3 0.382 4.342 3.960 -0.000 0.000 0.296 439 G C -0.811 174.088 174.900 -0.002 0.000 1.287 439 G CA -0.388 44.711 45.100 -0.002 0.000 0.846 439 G HN 0.248 nan 8.290 nan 0.000 0.508 440 G N -1.746 107.054 108.800 0.001 0.000 2.651 440 G HA2 0.551 4.511 3.960 -0.000 0.000 0.260 440 G HA3 0.551 4.511 3.960 -0.000 0.000 0.260 440 G C 1.281 176.178 174.900 -0.005 0.000 1.216 440 G CA 1.136 46.237 45.100 0.002 0.000 0.913 440 G HN 2.347 nan 8.290 nan 0.000 0.535 441 G N -1.593 107.202 108.800 -0.009 0.000 2.137 441 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.237 441 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.237 441 G C 0.562 175.443 174.900 -0.032 0.000 1.002 441 G CA 0.701 45.786 45.100 -0.026 0.000 0.702 441 G HN 1.344 nan 8.290 nan 0.000 0.515 442 S N -0.854 114.833 115.700 -0.021 0.000 2.548 442 S HA 0.657 5.127 4.470 -0.000 0.000 0.277 442 S C 1.523 176.064 174.600 -0.098 0.000 1.315 442 S CA -0.186 58.004 58.200 -0.017 0.000 1.050 442 S CB 0.913 64.127 63.200 0.023 0.000 0.918 442 S HN 0.384 nan 8.310 nan 0.000 0.497 443 L N 3.088 124.229 121.223 -0.137 0.000 2.547 443 L HA 0.451 4.791 4.340 -0.000 0.000 0.218 443 L C -0.769 175.776 176.870 -0.542 0.000 1.048 443 L CA 0.208 54.775 54.840 -0.456 0.000 0.859 443 L CB 0.265 41.976 42.059 -0.580 0.000 1.128 443 L HN 0.529 nan 8.230 nan 0.000 0.483 444 F N -0.203 119.863 119.950 0.193 0.000 2.547 444 F HA 0.481 5.008 4.527 -0.000 0.000 0.316 444 F C -0.390 175.517 175.800 0.178 0.000 1.121 444 F CA -0.700 57.414 58.000 0.190 0.000 0.911 444 F CB 2.141 41.248 39.000 0.178 0.000 1.179 444 F HN -0.292 nan 8.300 nan 0.000 0.443 445 I N 3.224 123.988 120.570 0.324 0.000 2.493 445 I HA 0.652 4.822 4.170 -0.000 0.000 0.298 445 I C -1.129 175.171 176.117 0.304 0.000 0.998 445 I CA -0.550 60.910 61.300 0.267 0.000 1.137 445 I CB 1.509 39.583 38.000 0.124 0.000 1.310 445 I HN 0.608 nan 8.210 nan 0.000 0.445 446 K N 3.646 124.281 120.400 0.392 0.000 2.551 446 K HA 0.704 5.024 4.320 -0.000 0.000 0.269 446 K C -1.166 175.801 176.600 0.612 0.000 0.949 446 K CA -0.445 56.111 56.287 0.448 0.000 0.849 446 K CB 2.179 34.916 32.500 0.394 0.000 1.411 446 K HN 0.652 nan 8.250 nan 0.000 0.432 447 T N 0.011 114.920 114.554 0.592 0.000 2.661 447 T HA 0.440 4.790 4.350 -0.000 0.000 0.305 447 T C -2.279 172.452 174.700 0.052 0.000 1.441 447 T CA -0.466 61.915 62.100 0.470 0.000 0.999 447 T CB 0.681 69.732 68.868 0.305 0.000 1.650 447 T HN 0.577 nan 8.240 nan 0.000 0.489 448 H N 0.112 118.973 119.070 -0.349 0.000 3.079 448 H HA 0.343 4.899 4.556 -0.000 0.000 0.356 448 H C -2.456 172.751 175.328 -0.202 0.000 1.221 448 H CA -1.296 54.464 56.048 -0.480 0.000 1.185 448 H CB 2.334 31.359 29.762 -1.228 0.000 1.882 448 H HN 0.322 nan 8.280 nan 0.000 0.543 449 P HA -0.159 nan 4.420 nan 0.000 0.216 449 P C 0.883 178.250 177.300 0.111 0.000 1.154 449 P CA 1.455 64.523 63.100 -0.053 0.000 0.865 449 P CB 0.138 31.746 31.700 -0.153 0.000 0.789 450 N N -0.807 118.085 118.700 0.321 0.000 2.413 450 N HA 0.012 4.752 4.740 -0.000 0.000 0.207 450 N C -0.389 175.182 175.510 0.101 0.000 1.206 450 N CA -0.063 53.090 53.050 0.173 0.000 0.832 450 N CB 0.054 38.623 38.487 0.137 0.000 1.037 450 N HN 0.034 nan 8.380 nan 0.000 0.467 451 S N -0.291 115.459 115.700 0.084 0.000 2.569 451 S HA 0.171 4.641 4.470 -0.000 0.000 0.280 451 S C 0.177 174.767 174.600 -0.017 0.000 1.111 451 S CA -0.696 57.553 58.200 0.081 0.000 0.887 451 S CB 1.782 65.104 63.200 0.204 0.000 1.095 451 S HN 0.397 nan 8.310 nan 0.000 0.476 452 Q N 1.554 121.244 119.800 -0.184 0.000 2.198 452 Q HA 0.306 4.646 4.340 -0.000 0.000 0.209 452 Q C -1.136 174.591 176.000 -0.455 0.000 0.848 452 Q CA -0.225 55.368 55.803 -0.350 0.000 0.974 452 Q CB 0.007 28.462 28.738 -0.473 0.000 1.115 452 Q HN 0.589 nan 8.270 nan 0.000 0.494 453 Y N 0.666 120.985 120.300 0.032 0.000 2.409 453 Y HA 0.502 5.052 4.550 -0.000 0.000 0.339 453 Y C -0.796 175.073 175.900 -0.051 0.000 1.033 453 Y CA -1.876 56.180 58.100 -0.073 0.000 1.094 453 Y CB 1.772 40.127 38.460 -0.174 0.000 1.210 453 Y HN 0.073 nan 8.280 nan 0.000 0.456 454 L N 4.319 125.588 121.223 0.078 0.000 2.294 454 L HA 0.510 4.850 4.340 -0.000 0.000 0.283 454 L C -1.710 175.280 176.870 0.201 0.000 1.015 454 L CA -0.720 54.219 54.840 0.164 0.000 0.831 454 L CB -0.045 42.066 42.059 0.086 0.000 1.217 454 L HN 0.438 nan 8.230 nan 0.000 0.420 455 Y N 3.961 124.498 120.300 0.394 0.000 2.323 455 Y HA 0.660 5.210 4.550 -0.000 0.000 0.331 455 Y C -0.071 176.033 175.900 0.340 0.000 1.092 455 Y CA -0.739 57.586 58.100 0.375 0.000 1.150 455 Y CB 1.641 40.392 38.460 0.485 0.000 1.200 455 Y HN 0.255 nan 8.280 nan 0.000 0.472 456 V N 3.281 123.430 119.914 0.393 0.000 2.569 456 V HA 0.275 4.395 4.120 -0.000 0.000 0.301 456 V C -0.835 175.361 176.094 0.169 0.000 1.044 456 V CA -1.086 61.383 62.300 0.281 0.000 0.874 456 V CB 1.572 33.543 31.823 0.248 0.000 1.002 456 V HN 0.815 nan 8.190 nan 0.000 0.424 457 D N 3.710 124.227 120.400 0.195 0.000 2.432 457 D HA 0.728 5.368 4.640 -0.000 0.000 0.258 457 D C 0.205 176.542 176.300 0.062 0.000 1.146 457 D CA -0.636 53.433 54.000 0.115 0.000 1.015 457 D CB 1.976 42.906 40.800 0.216 0.000 1.107 457 D HN 0.700 nan 8.370 nan 0.000 0.529 458 A N -0.148 122.689 122.820 0.028 0.000 2.843 458 A HA 0.316 4.636 4.320 -0.000 0.000 0.248 458 A C 1.111 178.705 177.584 0.017 0.000 0.904 458 A CA -0.466 51.575 52.037 0.007 0.000 1.091 458 A CB -0.592 18.392 19.000 -0.027 0.000 1.208 458 A HN 0.484 nan 8.150 nan 0.000 0.476 459 T N 0.818 115.409 114.554 0.062 0.000 2.653 459 T HA -0.230 4.120 4.350 -0.000 0.000 0.267 459 T C 1.398 176.122 174.700 0.041 0.000 1.037 459 T CA 2.112 64.268 62.100 0.093 0.000 1.159 459 T CB -0.345 68.636 68.868 0.189 0.000 0.859 459 T HN 0.497 nan 8.240 nan 0.000 0.449 460 L N 0.662 121.893 121.223 0.014 0.000 2.628 460 L HA 0.222 4.562 4.340 -0.000 0.000 0.229 460 L C 1.039 177.895 176.870 -0.024 0.000 1.137 460 L CA -0.385 54.447 54.840 -0.013 0.000 0.909 460 L CB -0.422 41.625 42.059 -0.021 0.000 1.137 460 L HN 0.227 nan 8.230 nan 0.000 0.470 461 N N 1.976 120.663 118.700 -0.021 0.000 2.492 461 N HA 0.034 4.774 4.740 -0.000 0.000 0.260 461 N C -1.506 173.986 175.510 -0.030 0.000 1.215 461 N CA -0.940 52.096 53.050 -0.023 0.000 0.923 461 N CB 1.678 40.151 38.487 -0.022 0.000 1.092 461 N HN -0.089 nan 8.380 nan 0.000 0.448 462 P HA -0.069 nan 4.420 nan 0.000 0.219 462 P C -0.005 177.277 177.300 -0.031 0.000 1.150 462 P CA 0.922 64.004 63.100 -0.030 0.000 0.814 462 P CB 0.219 31.904 31.700 -0.024 0.000 0.787 463 E N -0.056 120.128 120.200 -0.026 0.000 2.299 463 E HA 0.271 4.621 4.350 -0.000 0.000 0.272 463 E C 1.037 177.616 176.600 -0.035 0.000 1.043 463 E CA -0.255 56.129 56.400 -0.027 0.000 0.895 463 E CB 0.680 30.368 29.700 -0.020 0.000 1.011 463 E HN -0.019 nan 8.360 nan 0.000 0.432 464 A N 4.628 127.425 122.820 -0.038 0.000 2.070 464 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 464 A C 1.877 179.432 177.584 -0.048 0.000 1.159 464 A CA 1.425 53.435 52.037 -0.045 0.000 0.656 464 A CB -0.243 18.731 19.000 -0.045 0.000 0.800 464 A HN 0.870 nan 8.150 nan 0.000 0.453 465 E N -0.370 119.804 120.200 -0.043 0.000 2.152 465 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 465 E C 1.722 178.287 176.600 -0.059 0.000 0.983 465 E CA 0.917 57.287 56.400 -0.050 0.000 0.818 465 E CB -0.107 29.571 29.700 -0.038 0.000 0.758 465 E HN 0.721 nan 8.360 nan 0.000 0.467 466 I N 0.423 120.964 120.570 -0.048 0.000 2.339 466 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 466 I C 2.457 178.538 176.117 -0.061 0.000 1.096 466 I CA 0.923 62.192 61.300 -0.052 0.000 1.408 466 I CB -0.159 37.821 38.000 -0.033 0.000 1.092 466 I HN 0.098 nan 8.210 nan 0.000 0.423 467 S N 0.613 116.283 115.700 -0.050 0.000 2.547 467 S HA -0.034 4.436 4.470 -0.000 0.000 0.235 467 S C 1.764 176.334 174.600 -0.050 0.000 0.980 467 S CA 0.876 59.051 58.200 -0.041 0.000 0.941 467 S CB -0.541 62.636 63.200 -0.038 0.000 0.763 467 S HN 0.480 nan 8.310 nan 0.000 0.532 468 G N -0.026 108.729 108.800 -0.075 0.000 3.126 468 G HA2 0.429 4.389 3.960 -0.000 0.000 0.224 468 G HA3 0.429 4.389 3.960 -0.000 0.000 0.224 468 G C 0.169 174.972 174.900 -0.162 0.000 1.142 468 G CA -0.201 44.842 45.100 -0.096 0.000 0.759 468 G HN 0.493 nan 8.290 nan 0.000 0.550 469 S N -1.174 114.425 115.700 -0.168 0.000 2.689 469 S HA 0.745 5.215 4.470 -0.000 0.000 0.306 469 S C -0.964 173.487 174.600 -0.248 0.000 1.104 469 S CA -0.538 57.520 58.200 -0.237 0.000 0.973 469 S CB 2.550 65.636 63.200 -0.190 0.000 1.121 469 S HN -0.052 nan 8.310 nan 0.000 0.523 470 V N 0.954 120.680 119.914 -0.313 0.000 2.709 470 V HA 0.741 4.861 4.120 -0.000 0.000 0.308 470 V C -0.286 175.681 176.094 -0.211 0.000 1.062 470 V CA -0.775 61.352 62.300 -0.289 0.000 0.901 470 V CB 1.750 33.244 31.823 -0.548 0.000 1.003 470 V HN 1.038 nan 8.190 nan 0.000 0.425 471 A N 4.184 126.895 122.820 -0.182 0.000 2.310 471 A HA 0.849 5.169 4.320 -0.000 0.000 0.299 471 A C -0.746 176.734 177.584 -0.174 0.000 1.147 471 A CA -0.411 51.448 52.037 -0.297 0.000 0.818 471 A CB 1.110 19.721 19.000 -0.650 0.000 1.096 471 A HN 0.794 nan 8.150 nan 0.000 0.495 472 V N 2.245 121.999 119.914 -0.266 0.000 2.577 472 V HA 0.510 4.630 4.120 -0.000 0.000 0.303 472 V C -1.109 174.801 176.094 -0.307 0.000 1.042 472 V CA -0.297 61.836 62.300 -0.279 0.000 0.872 472 V CB 1.080 32.666 31.823 -0.395 0.000 0.998 472 V HN 0.732 nan 8.190 nan 0.000 0.423 473 F N 1.602 121.550 119.950 -0.003 0.000 2.507 473 F HA 0.511 5.038 4.527 -0.000 0.000 0.327 473 F C 0.380 176.251 175.800 0.118 0.000 1.068 473 F CA -0.779 57.258 58.000 0.061 0.000 0.965 473 F CB 1.360 40.392 39.000 0.054 0.000 1.192 473 F HN 0.412 nan 8.300 nan 0.000 0.476 474 D N 2.901 123.474 120.400 0.288 0.000 2.380 474 D HA 0.192 4.832 4.640 -0.000 0.000 0.230 474 D C 1.220 177.521 176.300 0.002 0.000 1.154 474 D CA -0.071 54.048 54.000 0.198 0.000 0.859 474 D CB 0.660 41.566 40.800 0.177 0.000 1.045 474 D HN 0.273 nan 8.370 nan 0.000 0.495 475 I N 3.743 124.239 120.570 -0.124 0.000 2.118 475 I HA -0.297 3.873 4.170 -0.000 0.000 0.241 475 I C 2.065 178.082 176.117 -0.166 0.000 1.070 475 I CA 1.246 62.411 61.300 -0.225 0.000 1.327 475 I CB -0.632 37.158 38.000 -0.350 0.000 1.034 475 I HN 0.443 nan 8.210 nan 0.000 0.405 476 K N 0.852 121.163 120.400 -0.149 0.000 2.160 476 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 476 K C 1.966 178.506 176.600 -0.100 0.000 1.047 476 K CA 1.526 57.744 56.287 -0.116 0.000 0.930 476 K CB -0.234 32.202 32.500 -0.106 0.000 0.720 476 K HN 0.361 nan 8.250 nan 0.000 0.450 477 A N 0.758 123.530 122.820 -0.079 0.000 2.208 477 A HA 0.065 4.385 4.320 -0.000 0.000 0.209 477 A C 0.810 178.344 177.584 -0.084 0.000 1.161 477 A CA 0.124 52.127 52.037 -0.058 0.000 0.782 477 A CB -0.275 18.715 19.000 -0.016 0.000 0.816 477 A HN 0.150 nan 8.150 nan 0.000 0.477 478 M N 0.303 119.817 119.600 -0.144 0.000 2.245 478 M HA 0.134 4.614 4.480 -0.000 0.000 0.344 478 M C 1.360 177.540 176.300 -0.201 0.000 1.170 478 M CA 0.815 56.004 55.300 -0.184 0.000 1.135 478 M CB 0.802 33.242 32.600 -0.267 0.000 1.574 478 M HN 0.403 nan 8.290 nan 0.000 0.452 479 T N -2.919 111.598 114.554 -0.061 0.000 2.966 479 T HA 0.279 4.629 4.350 -0.000 0.000 0.254 479 T C 1.179 175.880 174.700 0.001 0.000 0.961 479 T CA 0.344 62.424 62.100 -0.034 0.000 0.915 479 T CB 0.224 69.079 68.868 -0.022 0.000 1.186 479 T HN 1.001 nan 8.240 nan 0.000 0.505 480 G N 3.245 112.105 108.800 0.099 0.000 2.273 480 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.280 480 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.280 480 G C 0.151 175.076 174.900 0.042 0.000 1.047 480 G CA 0.588 45.673 45.100 -0.024 0.000 0.869 480 G HN 0.834 nan 8.290 nan 0.000 0.502 481 D N -1.988 118.456 120.400 0.073 0.000 2.395 481 D HA 0.421 5.061 4.640 -0.000 0.000 0.213 481 D C 1.775 178.131 176.300 0.093 0.000 1.110 481 D CA 0.660 54.699 54.000 0.065 0.000 0.835 481 D CB -0.066 40.755 40.800 0.035 0.000 0.965 481 D HN 1.394 nan 8.370 nan 0.000 0.505 482 G N 0.368 109.249 108.800 0.135 0.000 2.279 482 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.223 482 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.223 482 G C 0.462 175.433 174.900 0.119 0.000 1.015 482 G CA 0.100 45.278 45.100 0.131 0.000 0.621 482 G HN 0.888 nan 8.290 nan 0.000 0.506 483 S N 1.526 117.283 115.700 0.094 0.000 2.531 483 S HA 0.457 4.927 4.470 -0.000 0.000 0.279 483 S C -0.193 174.461 174.600 0.090 0.000 1.305 483 S CA -0.127 58.120 58.200 0.080 0.000 1.058 483 S CB 1.279 64.510 63.200 0.051 0.000 0.899 483 S HN 0.254 nan 8.310 nan 0.000 0.493 484 D N 5.086 125.553 120.400 0.111 0.000 2.412 484 D HA 0.204 4.843 4.640 -0.000 0.000 0.257 484 D C -1.735 174.605 176.300 0.066 0.000 1.217 484 D CA -0.655 53.429 54.000 0.140 0.000 0.897 484 D CB 0.349 41.274 40.800 0.208 0.000 1.132 484 D HN 0.474 nan 8.370 nan 0.000 0.493 485 P HA 0.018 nan 4.420 nan 0.000 0.269 485 P C -0.032 177.371 177.300 0.173 0.000 1.217 485 P CA -0.123 62.957 63.100 -0.034 0.000 0.783 485 P CB 0.732 32.274 31.700 -0.263 0.000 0.898 486 E N 1.354 121.613 120.200 0.099 0.000 2.250 486 E HA 0.593 4.943 4.350 -0.000 0.000 0.269 486 E C -0.655 175.868 176.600 -0.127 0.000 1.018 486 E CA -0.765 55.607 56.400 -0.047 0.000 0.873 486 E CB 0.861 30.475 29.700 -0.144 0.000 1.134 486 E HN 0.424 nan 8.360 nan 0.000 0.403 487 F N -1.120 118.614 119.950 -0.359 0.000 2.593 487 F HA 0.598 5.125 4.527 -0.000 0.000 0.320 487 F C -0.547 175.031 175.800 -0.370 0.000 1.060 487 F CA -1.484 56.116 58.000 -0.668 0.000 0.940 487 F CB 1.544 39.771 39.000 -1.287 0.000 1.268 487 F HN 0.332 nan 8.300 nan 0.000 0.475 488 K N 0.971 121.305 120.400 -0.110 0.000 2.138 488 K HA 0.503 4.823 4.320 -0.000 0.000 0.263 488 K C -1.095 175.509 176.600 0.007 0.000 0.965 488 K CA -0.449 55.785 56.287 -0.088 0.000 0.868 488 K CB 1.568 33.991 32.500 -0.129 0.000 1.083 488 K HN 0.884 nan 8.250 nan 0.000 0.443 489 T N 4.975 119.528 114.554 -0.000 0.000 2.749 489 T HA 0.322 4.672 4.350 -0.000 0.000 0.287 489 T C -0.308 174.295 174.700 -0.161 0.000 0.970 489 T CA -0.572 61.508 62.100 -0.034 0.000 0.980 489 T CB 0.265 69.138 68.868 0.010 0.000 0.924 489 T HN 0.400 nan 8.240 nan 0.000 0.456 490 L N 6.504 127.562 121.223 -0.274 0.000 2.272 490 L HA 0.387 4.727 4.340 -0.000 0.000 0.289 490 L C -1.855 174.603 176.870 -0.687 0.000 1.032 490 L CA -2.268 52.253 54.840 -0.532 0.000 0.810 490 L CB 1.356 43.091 42.059 -0.540 0.000 1.205 490 L HN 0.360 nan 8.230 nan 0.000 0.422 491 P HA 0.145 nan 4.420 nan 0.000 0.225 491 P C 0.820 177.594 177.300 -0.876 0.000 1.830 491 P CA -0.348 62.341 63.100 -0.685 0.000 1.051 491 P CB 0.468 31.883 31.700 -0.476 0.000 1.929 492 I N 1.971 122.117 120.570 -0.708 0.000 2.151 492 I HA -0.287 3.883 4.170 -0.000 0.000 0.243 492 I C 2.559 178.563 176.117 -0.188 0.000 1.080 492 I CA 1.991 63.026 61.300 -0.442 0.000 1.339 492 I CB -1.217 36.567 38.000 -0.359 0.000 1.039 492 I HN 0.190 nan 8.210 nan 0.000 0.409 493 A N -0.452 122.265 122.820 -0.170 0.000 1.873 493 A HA -0.256 4.064 4.320 -0.000 0.000 0.215 493 A C 2.402 179.962 177.584 -0.041 0.000 1.186 493 A CA 1.815 53.807 52.037 -0.074 0.000 0.616 493 A CB -0.773 18.186 19.000 -0.068 0.000 0.823 493 A HN 0.514 nan 8.150 nan 0.000 0.442 494 E N -1.243 118.911 120.200 -0.077 0.000 2.118 494 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 494 E C 1.660 178.345 176.600 0.141 0.000 0.992 494 E CA 1.404 57.804 56.400 0.000 0.000 0.804 494 E CB -0.201 29.483 29.700 -0.026 0.000 0.741 494 E HN 0.773 nan 8.360 nan 0.000 0.458 495 W N 0.144 121.404 121.300 -0.068 0.000 2.425 495 W HA 0.048 4.708 4.660 -0.000 0.000 0.277 495 W C 2.256 178.718 176.519 -0.094 0.000 1.231 495 W CA 0.892 58.189 57.345 -0.080 0.000 1.248 495 W CB -0.811 28.596 29.460 -0.087 0.000 1.117 495 W HN 0.189 nan 8.180 nan 0.000 0.568 496 A N -0.502 122.397 122.820 0.132 0.000 2.123 496 A HA 0.371 4.691 4.320 -0.000 0.000 0.214 496 A C 1.821 179.410 177.584 0.008 0.000 1.152 496 A CA 1.252 53.309 52.037 0.033 0.000 0.728 496 A CB -0.774 18.235 19.000 0.015 0.000 0.814 496 A HN 0.547 nan 8.150 nan 0.000 0.464 497 G N -0.572 108.243 108.800 0.025 0.000 2.212 497 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.255 497 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.255 497 G C -0.204 174.695 174.900 -0.002 0.000 1.062 497 G CA 0.232 45.336 45.100 0.007 0.000 0.815 497 G HN 0.392 nan 8.290 nan 0.000 0.497 498 I N 1.101 121.670 120.570 -0.001 0.000 2.378 498 I HA 0.514 4.684 4.170 -0.000 0.000 0.291 498 I C 1.189 177.299 176.117 -0.011 0.000 0.992 498 I CA 0.226 61.523 61.300 -0.005 0.000 1.154 498 I CB 1.090 39.089 38.000 -0.001 0.000 1.315 498 I HN 0.314 nan 8.210 nan 0.000 0.448 499 T N 1.146 115.692 114.554 -0.013 0.000 3.048 499 T HA 0.105 4.455 4.350 -0.000 0.000 0.254 499 T C 0.360 175.049 174.700 -0.019 0.000 0.942 499 T CA -0.242 61.847 62.100 -0.017 0.000 0.931 499 T CB 0.077 68.936 68.868 -0.015 0.000 1.220 499 T HN 0.459 nan 8.240 nan 0.000 0.503 500 E N 2.357 122.547 120.200 -0.016 0.000 2.392 500 E HA 0.518 4.868 4.350 -0.000 0.000 0.264 500 E C 0.957 177.544 176.600 -0.021 0.000 1.024 500 E CA 0.201 56.591 56.400 -0.017 0.000 0.903 500 E CB -0.291 29.401 29.700 -0.012 0.000 0.963 500 E HN 0.797 nan 8.360 nan 0.000 0.432 501 G N 1.554 110.339 108.800 -0.025 0.000 2.741 501 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.222 501 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.222 501 G C -0.761 174.109 174.900 -0.050 0.000 1.364 501 G CA -0.058 45.021 45.100 -0.035 0.000 0.866 501 G HN 0.835 nan 8.290 nan 0.000 0.555 502 Q N 1.132 120.887 119.800 -0.076 0.000 2.563 502 Q HA 0.552 4.892 4.340 -0.000 0.000 0.232 502 Q C -2.152 173.775 176.000 -0.121 0.000 1.106 502 Q CA -2.042 53.702 55.803 -0.099 0.000 0.913 502 Q CB 1.126 29.790 28.738 -0.122 0.000 1.175 502 Q HN 0.530 nan 8.270 nan 0.000 0.540 503 P HA 0.252 nan 4.420 nan 0.000 0.287 503 P C -0.948 176.324 177.300 -0.047 0.000 1.307 503 P CA -0.133 62.937 63.100 -0.050 0.000 0.777 503 P CB 0.760 32.447 31.700 -0.021 0.000 0.883 504 R N 2.104 122.585 120.500 -0.031 0.000 2.494 504 R HA 0.515 4.855 4.340 -0.000 0.000 0.305 504 R C -0.532 175.863 176.300 0.157 0.000 0.959 504 R CA -1.080 55.032 56.100 0.020 0.000 0.864 504 R CB 1.918 32.182 30.300 -0.060 0.000 1.159 504 R HN 0.242 nan 8.270 nan 0.000 0.446 505 V N 3.932 123.912 119.914 0.111 0.000 2.465 505 V HA 0.399 4.519 4.120 -0.000 0.000 0.279 505 V C -0.206 176.021 176.094 0.222 0.000 1.045 505 V CA -0.367 62.014 62.300 0.136 0.000 0.938 505 V CB 1.582 33.403 31.823 -0.004 0.000 0.986 505 V HN 0.495 nan 8.190 nan 0.000 0.467 506 V N 5.263 125.353 119.914 0.294 0.000 3.012 506 V HA 0.531 4.651 4.120 -0.000 0.000 0.307 506 V C -0.555 175.717 176.094 0.296 0.000 1.166 506 V CA -0.379 62.129 62.300 0.346 0.000 0.974 506 V CB 1.831 33.885 31.823 0.385 0.000 1.040 506 V HN 1.077 nan 8.190 nan 0.000 0.428 507 Q N 2.938 122.935 119.800 0.328 0.000 2.630 507 Q HA -0.136 4.204 4.340 -0.000 0.000 0.210 507 Q C -0.078 175.851 176.000 -0.119 0.000 1.400 507 Q CA 0.836 56.647 55.803 0.013 0.000 0.668 507 Q CB -0.853 27.540 28.738 -0.575 0.000 0.781 507 Q HN 1.512 nan 8.270 nan 0.000 0.311 508 G N 3.105 111.812 108.800 -0.154 0.000 2.467 508 G HA2 0.395 4.355 3.960 -0.000 0.000 0.257 508 G HA3 0.395 4.355 3.960 -0.000 0.000 0.257 508 G C -0.658 173.959 174.900 -0.471 0.000 1.227 508 G CA 0.161 44.767 45.100 -0.825 0.000 0.835 508 G HN 0.576 nan 8.290 nan 0.000 0.556 509 E N 0.711 120.615 120.200 -0.494 0.000 2.291 509 E HA 0.505 4.855 4.350 -0.000 0.000 0.276 509 E C -1.350 175.145 176.600 -0.175 0.000 0.896 509 E CA -0.707 55.561 56.400 -0.221 0.000 0.774 509 E CB 0.911 30.488 29.700 -0.205 0.000 1.227 509 E HN 0.243 nan 8.360 nan 0.000 0.413 510 F N 2.838 122.772 119.950 -0.026 0.000 2.370 510 F HA 0.362 4.889 4.527 -0.000 0.000 0.324 510 F C 1.200 176.992 175.800 -0.014 0.000 1.116 510 F CA -0.407 57.609 58.000 0.028 0.000 1.123 510 F CB 0.685 39.736 39.000 0.086 0.000 1.238 510 F HN 0.509 nan 8.300 nan 0.000 0.536 511 N N 1.098 119.977 118.700 0.299 0.000 2.408 511 N HA 0.105 4.845 4.740 -0.000 0.000 0.260 511 N C 0.645 176.211 175.510 0.093 0.000 1.242 511 N CA -0.646 52.522 53.050 0.197 0.000 0.959 511 N CB 0.408 39.087 38.487 0.319 0.000 1.201 511 N HN 0.666 nan 8.380 nan 0.000 0.511 512 K N -0.495 119.928 120.400 0.038 0.000 2.059 512 K HA -0.220 4.100 4.320 -0.000 0.000 0.212 512 K C 0.139 176.727 176.600 -0.019 0.000 1.050 512 K CA 1.995 58.287 56.287 0.008 0.000 0.927 512 K CB -0.159 32.287 32.500 -0.090 0.000 0.714 512 K HN 0.510 nan 8.250 nan 0.000 0.447 513 D N -0.840 119.541 120.400 -0.032 0.000 2.363 513 D HA 0.030 4.670 4.640 -0.000 0.000 0.220 513 D C 0.836 177.040 176.300 -0.161 0.000 0.994 513 D CA 1.078 55.047 54.000 -0.051 0.000 0.890 513 D CB 0.168 40.963 40.800 -0.009 0.000 0.906 513 D HN 0.552 nan 8.370 nan 0.000 0.530 514 G N 1.031 109.616 108.800 -0.359 0.000 2.221 514 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.265 514 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.265 514 G C 1.146 175.991 174.900 -0.092 0.000 1.041 514 G CA 1.214 45.844 45.100 -0.784 0.000 0.807 514 G HN 0.431 nan 8.290 nan 0.000 0.502 515 T N -3.424 111.189 114.554 0.097 0.000 3.039 515 T HA 0.380 4.730 4.350 -0.000 0.000 0.250 515 T C 0.668 175.524 174.700 0.260 0.000 1.052 515 T CA 0.980 63.186 62.100 0.176 0.000 1.125 515 T CB 0.630 69.576 68.868 0.129 0.000 0.908 515 T HN 0.547 nan 8.240 nan 0.000 0.473 516 E N 0.488 120.854 120.200 0.277 0.000 2.256 516 E HA 0.655 5.005 4.350 -0.000 0.000 0.267 516 E C -1.821 174.836 176.600 0.095 0.000 0.892 516 E CA -1.043 55.498 56.400 0.234 0.000 0.775 516 E CB 3.235 33.116 29.700 0.302 0.000 1.207 516 E HN 0.078 nan 8.360 nan 0.000 0.420 517 V N 2.919 122.738 119.914 -0.158 0.000 2.487 517 V HA 0.432 4.552 4.120 -0.000 0.000 0.298 517 V C -1.587 174.355 176.094 -0.254 0.000 1.028 517 V CA -0.522 61.403 62.300 -0.625 0.000 0.860 517 V CB 0.568 31.519 31.823 -1.453 0.000 0.991 517 V HN 0.581 nan 8.190 nan 0.000 0.427 518 W N 5.622 126.572 121.300 -0.583 0.000 2.375 518 W HA 0.739 5.399 4.660 -0.000 0.000 0.336 518 W C -0.564 175.549 176.519 -0.676 0.000 1.160 518 W CA -1.019 56.050 57.345 -0.459 0.000 1.266 518 W CB 0.880 30.113 29.460 -0.378 0.000 1.195 518 W HN 0.409 nan 8.180 nan 0.000 0.599 519 F N 0.658 120.633 119.950 0.042 0.000 2.578 519 F HA 0.369 4.896 4.527 -0.000 0.000 0.311 519 F C 0.210 176.016 175.800 0.009 0.000 1.094 519 F CA -1.069 56.932 58.000 0.001 0.000 0.923 519 F CB 1.742 40.724 39.000 -0.031 0.000 1.230 519 F HN -0.048 nan 8.300 nan 0.000 0.450 520 S N 1.632 117.463 115.700 0.218 0.000 2.475 520 S HA 0.484 4.954 4.470 -0.000 0.000 0.281 520 S C -0.464 174.246 174.600 0.182 0.000 1.198 520 S CA -0.628 57.660 58.200 0.148 0.000 1.063 520 S CB 1.229 64.480 63.200 0.085 0.000 0.972 520 S HN 0.329 nan 8.310 nan 0.000 0.486 521 V N 4.958 124.960 119.914 0.147 0.000 2.247 521 V HA 0.156 4.276 4.120 -0.000 0.000 0.262 521 V C -0.473 175.754 176.094 0.221 0.000 1.096 521 V CA -0.726 61.660 62.300 0.143 0.000 0.895 521 V CB -0.338 31.530 31.823 0.075 0.000 1.141 521 V HN 0.880 nan 8.190 nan 0.000 0.478 522 W N 6.041 127.365 121.300 0.040 0.000 2.485 522 W HA 0.367 5.027 4.660 -0.000 0.000 0.315 522 W C -0.064 176.474 176.519 0.033 0.000 1.304 522 W CA -0.394 56.978 57.345 0.044 0.000 1.345 522 W CB 0.153 29.651 29.460 0.062 0.000 1.368 522 W HN 0.435 nan 8.180 nan 0.000 0.497 523 N N 2.677 121.541 118.700 0.274 0.000 2.469 523 N HA 0.555 5.295 4.740 -0.000 0.000 0.286 523 N C -0.208 175.360 175.510 0.097 0.000 1.275 523 N CA -0.396 52.690 53.050 0.059 0.000 0.790 523 N CB 1.754 40.274 38.487 0.054 0.000 1.446 523 N HN 0.486 nan 8.380 nan 0.000 0.501 524 G N 0.492 109.300 108.800 0.013 0.000 2.559 524 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.235 524 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.235 524 G C 0.949 175.901 174.900 0.085 0.000 1.266 524 G CA -0.075 45.053 45.100 0.046 0.000 0.847 524 G HN 0.722 nan 8.290 nan 0.000 0.583 525 K N 0.003 120.463 120.400 0.100 0.000 2.160 525 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 525 K C 1.019 177.653 176.600 0.057 0.000 1.047 525 K CA 1.851 58.191 56.287 0.088 0.000 0.930 525 K CB 0.061 32.610 32.500 0.083 0.000 0.720 525 K HN 0.446 nan 8.250 nan 0.000 0.450 526 D N -0.040 120.385 120.400 0.041 0.000 2.340 526 D HA 0.035 4.675 4.640 -0.000 0.000 0.217 526 D C 0.099 176.411 176.300 0.020 0.000 1.081 526 D CA 0.243 54.258 54.000 0.025 0.000 0.842 526 D CB 0.441 41.250 40.800 0.014 0.000 0.934 526 D HN 0.185 nan 8.370 nan 0.000 0.511 527 Q N -0.137 119.680 119.800 0.027 0.000 2.699 527 Q HA 0.342 4.682 4.340 -0.000 0.000 0.240 527 Q C -0.228 175.789 176.000 0.028 0.000 1.033 527 Q CA -0.577 55.237 55.803 0.020 0.000 0.938 527 Q CB 0.871 29.617 28.738 0.013 0.000 1.312 527 Q HN 0.085 nan 8.270 nan 0.000 0.507 528 E N 0.277 120.490 120.200 0.022 0.000 2.175 528 E HA 0.432 4.782 4.350 -0.000 0.000 0.278 528 E C -0.976 175.646 176.600 0.037 0.000 0.969 528 E CA -0.072 56.342 56.400 0.024 0.000 0.796 528 E CB 1.085 30.791 29.700 0.009 0.000 1.104 528 E HN 0.397 nan 8.360 nan 0.000 0.395 529 S N 1.333 117.062 115.700 0.049 0.000 2.759 529 S HA 0.965 5.435 4.470 -0.000 0.000 0.310 529 S C -1.186 173.438 174.600 0.040 0.000 1.123 529 S CA -0.333 57.909 58.200 0.070 0.000 0.959 529 S CB 1.793 65.061 63.200 0.113 0.000 1.172 529 S HN 0.733 nan 8.310 nan 0.000 0.539 530 A N 0.502 123.348 122.820 0.042 0.000 2.567 530 A HA 0.625 4.945 4.320 -0.000 0.000 0.291 530 A C -2.243 175.340 177.584 -0.001 0.000 1.048 530 A CA -0.707 51.331 52.037 0.001 0.000 0.661 530 A CB 0.548 19.532 19.000 -0.026 0.000 1.288 530 A HN 0.603 nan 8.150 nan 0.000 0.424 531 L N 1.115 122.300 121.223 -0.064 0.000 2.313 531 L HA 0.612 4.952 4.340 -0.000 0.000 0.283 531 L C -0.821 175.933 176.870 -0.192 0.000 1.013 531 L CA -1.026 53.752 54.840 -0.104 0.000 0.816 531 L CB 1.688 43.647 42.059 -0.166 0.000 1.236 531 L HN 0.452 nan 8.230 nan 0.000 0.419 532 V N 4.433 124.282 119.914 -0.109 0.000 2.370 532 V HA 0.298 4.418 4.120 -0.000 0.000 0.283 532 V C 0.093 176.092 176.094 -0.159 0.000 1.023 532 V CA -0.586 61.658 62.300 -0.094 0.000 0.857 532 V CB 2.103 33.969 31.823 0.072 0.000 0.985 532 V HN 0.409 nan 8.190 nan 0.000 0.443 533 V N 6.497 126.204 119.914 -0.345 0.000 2.383 533 V HA 0.375 4.495 4.120 -0.000 0.000 0.275 533 V C 0.049 176.084 176.094 -0.099 0.000 1.036 533 V CA -0.385 61.670 62.300 -0.409 0.000 0.889 533 V CB 1.634 32.988 31.823 -0.781 0.000 0.985 533 V HN 0.601 nan 8.190 nan 0.000 0.459 534 V N 3.941 123.883 119.914 0.046 0.000 2.483 534 V HA 0.289 4.409 4.120 -0.000 0.000 0.295 534 V C -0.043 176.127 176.094 0.127 0.000 1.035 534 V CA -0.695 61.702 62.300 0.161 0.000 0.896 534 V CB 1.936 33.937 31.823 0.296 0.000 0.986 534 V HN 0.972 nan 8.190 nan 0.000 0.447 535 D N 2.475 122.955 120.400 0.132 0.000 2.325 535 D HA 0.095 4.735 4.640 -0.000 0.000 0.251 535 D C 0.931 177.368 176.300 0.228 0.000 1.196 535 D CA -0.064 54.026 54.000 0.150 0.000 0.866 535 D CB 1.087 41.947 40.800 0.101 0.000 1.101 535 D HN 0.689 nan 8.370 nan 0.000 0.476 536 D N 2.968 123.540 120.400 0.288 0.000 2.123 536 D HA -0.198 4.442 4.640 -0.000 0.000 0.196 536 D C 1.413 177.972 176.300 0.432 0.000 0.992 536 D CA 1.227 55.492 54.000 0.441 0.000 0.833 536 D CB 0.388 41.504 40.800 0.526 0.000 0.954 536 D HN 0.209 nan 8.370 nan 0.000 0.455 537 K N -0.593 119.989 120.400 0.304 0.000 2.057 537 K HA -0.069 4.251 4.320 -0.000 0.000 0.207 537 K C 2.214 178.964 176.600 0.250 0.000 1.049 537 K CA 1.744 58.188 56.287 0.263 0.000 0.931 537 K CB -0.813 31.789 32.500 0.170 0.000 0.714 537 K HN 0.451 nan 8.250 nan 0.000 0.440 538 T N -2.234 112.432 114.554 0.187 0.000 3.001 538 T HA 0.232 4.582 4.350 -0.000 0.000 0.251 538 T C 0.854 175.621 174.700 0.111 0.000 1.040 538 T CA -0.254 61.926 62.100 0.133 0.000 0.985 538 T CB -0.037 68.880 68.868 0.081 0.000 1.011 538 T HN 0.178 nan 8.240 nan 0.000 0.509 539 L N 0.541 121.849 121.223 0.141 0.000 3.717 539 L HA -0.159 4.181 4.340 -0.000 0.000 0.411 539 L C -0.363 176.640 176.870 0.222 0.000 1.233 539 L CA 0.431 55.360 54.840 0.148 0.000 0.917 539 L CB -1.934 40.112 42.059 -0.022 0.000 1.902 539 L HN 0.515 nan 8.230 nan 0.000 0.894 540 E N 0.042 120.322 120.200 0.133 0.000 2.277 540 E HA 0.521 4.871 4.350 -0.000 0.000 0.266 540 E C -0.371 176.096 176.600 -0.222 0.000 0.901 540 E CA -1.293 55.074 56.400 -0.056 0.000 0.782 540 E CB 2.439 32.079 29.700 -0.101 0.000 1.228 540 E HN 0.109 nan 8.360 nan 0.000 0.424 541 L N 2.744 123.477 121.223 -0.816 0.000 2.601 541 L HA -0.041 4.299 4.340 -0.000 0.000 0.277 541 L C 0.757 177.432 176.870 -0.324 0.000 1.219 541 L CA 0.907 55.333 54.840 -0.690 0.000 0.915 541 L CB 0.417 41.788 42.059 -1.146 0.000 1.160 541 L HN 0.498 nan 8.230 nan 0.000 0.494 542 K N 3.143 123.432 120.400 -0.186 0.000 2.287 542 K HA 0.174 4.494 4.320 -0.000 0.000 0.199 542 K C -0.452 176.054 176.600 -0.157 0.000 1.061 542 K CA 0.685 56.893 56.287 -0.133 0.000 0.976 542 K CB 0.109 32.569 32.500 -0.067 0.000 0.898 542 K HN 0.849 nan 8.250 nan 0.000 0.492 543 H N -1.813 117.011 119.070 -0.409 0.000 3.094 543 H HA 0.447 5.003 4.556 -0.000 0.000 0.335 543 H C -2.017 173.032 175.328 -0.465 0.000 1.254 543 H CA -0.756 54.987 56.048 -0.509 0.000 1.240 543 H CB 1.483 30.680 29.762 -0.941 0.000 1.936 543 H HN -0.183 nan 8.280 nan 0.000 0.536 544 V N 5.656 125.056 119.914 -0.856 0.000 2.378 544 V HA 0.349 4.469 4.120 -0.000 0.000 0.288 544 V C 0.051 175.864 176.094 -0.468 0.000 1.016 544 V CA -0.540 61.457 62.300 -0.506 0.000 0.840 544 V CB 1.120 32.738 31.823 -0.342 0.000 0.994 544 V HN 0.555 nan 8.190 nan 0.000 0.431 545 I N 5.177 125.581 120.570 -0.276 0.000 2.365 545 I HA 0.495 4.665 4.170 -0.000 0.000 0.291 545 I C 0.075 176.131 176.117 -0.102 0.000 1.004 545 I CA -0.283 60.929 61.300 -0.147 0.000 1.311 545 I CB 1.076 38.974 38.000 -0.171 0.000 1.401 545 I HN 0.511 nan 8.210 nan 0.000 0.491 546 K N 4.761 125.123 120.400 -0.062 0.000 2.498 546 K HA 0.496 4.816 4.320 -0.000 0.000 0.254 546 K C -1.553 175.039 176.600 -0.014 0.000 0.933 546 K CA -0.837 55.427 56.287 -0.038 0.000 0.806 546 K CB 2.660 35.131 32.500 -0.049 0.000 1.301 546 K HN 0.527 nan 8.250 nan 0.000 0.432 547 D N 1.245 121.644 120.400 -0.002 0.000 2.745 547 D HA 0.001 4.641 4.640 -0.000 0.000 0.221 547 D C -0.102 176.205 176.300 0.012 0.000 1.237 547 D CA -0.244 53.760 54.000 0.006 0.000 0.781 547 D CB 2.090 42.897 40.800 0.011 0.000 1.575 547 D HN 0.504 nan 8.370 nan 0.000 0.482 548 E N 1.481 121.688 120.200 0.011 0.000 2.331 548 E HA -0.098 4.252 4.350 -0.000 0.000 0.199 548 E C 1.461 178.074 176.600 0.021 0.000 1.008 548 E CA 1.442 57.851 56.400 0.015 0.000 0.843 548 E CB 0.197 29.904 29.700 0.011 0.000 0.761 548 E HN 0.344 nan 8.360 nan 0.000 0.507 549 R N -0.944 119.569 120.500 0.022 0.000 2.254 549 R HA 0.135 4.475 4.340 -0.000 0.000 0.195 549 R C 0.356 176.677 176.300 0.035 0.000 0.957 549 R CA -0.103 56.013 56.100 0.027 0.000 1.024 549 R CB 0.060 30.375 30.300 0.025 0.000 0.952 549 R HN 0.060 nan 8.270 nan 0.000 0.484 550 L N 2.391 123.634 121.223 0.034 0.000 2.400 550 L HA 0.089 4.429 4.340 -0.000 0.000 0.262 550 L C -0.759 176.142 176.870 0.053 0.000 1.309 550 L CA 0.234 55.098 54.840 0.041 0.000 1.186 550 L CB 0.313 42.392 42.059 0.032 0.000 1.375 550 L HN -0.198 nan 8.230 nan 0.000 0.433 551 V N 3.010 122.960 119.914 0.059 0.000 2.432 551 V HA 0.228 4.348 4.120 -0.000 0.000 0.275 551 V C 0.808 176.960 176.094 0.096 0.000 1.043 551 V CA -0.073 62.273 62.300 0.077 0.000 0.925 551 V CB 0.934 32.799 31.823 0.071 0.000 0.985 551 V HN 0.845 nan 8.190 nan 0.000 0.466 552 T N 4.166 118.809 114.554 0.149 0.000 3.361 552 T HA -0.121 4.229 4.350 -0.000 0.000 0.417 552 T C -1.727 172.994 174.700 0.035 0.000 0.769 552 T CA -0.062 62.164 62.100 0.211 0.000 2.085 552 T CB -1.722 67.304 68.868 0.262 0.000 1.689 552 T HN 0.585 nan 8.240 nan 0.000 0.639 553 P HA 0.255 nan 4.420 nan 0.000 0.276 553 P C 0.952 178.141 177.300 -0.186 0.000 1.235 553 P CA -0.039 63.038 63.100 -0.040 0.000 0.772 553 P CB 1.590 33.305 31.700 0.026 0.000 0.871 554 T N 0.822 115.227 114.554 -0.248 0.000 2.638 554 T HA 0.365 4.715 4.350 -0.000 0.000 0.169 554 T C 1.013 175.571 174.700 -0.236 0.000 0.790 554 T CA 0.059 61.933 62.100 -0.378 0.000 1.151 554 T CB -0.844 67.665 68.868 -0.599 0.000 2.581 554 T HN 0.335 nan 8.240 nan 0.000 0.391 555 G N 2.063 110.734 108.800 -0.215 0.000 2.398 555 G HA2 0.500 4.460 3.960 -0.000 0.000 0.246 555 G HA3 0.500 4.460 3.960 -0.000 0.000 0.246 555 G C -0.989 173.686 174.900 -0.374 0.000 1.289 555 G CA -0.492 44.417 45.100 -0.319 0.000 0.869 555 G HN 0.635 nan 8.290 nan 0.000 0.543 556 K N 0.964 120.940 120.400 -0.707 0.000 2.397 556 K HA 0.504 4.824 4.320 -0.000 0.000 0.253 556 K C -1.489 174.565 176.600 -0.910 0.000 0.932 556 K CA -0.457 55.553 56.287 -0.463 0.000 0.795 556 K CB 2.336 34.768 32.500 -0.112 0.000 1.159 556 K HN 0.385 nan 8.250 nan 0.000 0.424 557 F N 1.521 121.421 119.950 -0.083 0.000 2.539 557 F HA 0.249 4.776 4.527 -0.000 0.000 0.328 557 F C 0.268 175.873 175.800 -0.326 0.000 1.148 557 F CA -0.991 56.907 58.000 -0.170 0.000 0.940 557 F CB 1.464 40.403 39.000 -0.103 0.000 1.194 557 F HN 0.468 nan 8.300 nan 0.000 0.438 558 N N 2.713 121.164 118.700 -0.416 0.000 2.470 558 N HA 0.077 4.817 4.740 -0.000 0.000 0.268 558 N C 1.028 176.420 175.510 -0.197 0.000 1.136 558 N CA 0.039 52.690 53.050 -0.664 0.000 0.961 558 N CB 1.534 39.507 38.487 -0.856 0.000 1.067 558 N HN 0.493 nan 8.380 nan 0.000 0.468 559 V N 4.755 124.597 119.914 -0.119 0.000 2.231 559 V HA -0.309 3.811 4.120 -0.000 0.000 0.250 559 V C 1.811 177.942 176.094 0.061 0.000 1.058 559 V CA 1.970 64.280 62.300 0.016 0.000 1.022 559 V CB -1.099 30.761 31.823 0.063 0.000 0.640 559 V HN 0.766 nan 8.190 nan 0.000 0.445 560 Y N 1.206 121.495 120.300 -0.019 0.000 2.145 560 Y HA -0.228 4.322 4.550 -0.000 0.000 0.286 560 Y C 2.418 178.348 175.900 0.050 0.000 1.145 560 Y CA 2.262 60.378 58.100 0.026 0.000 1.148 560 Y CB -0.481 37.997 38.460 0.031 0.000 0.981 560 Y HN 0.359 nan 8.280 nan 0.000 0.507 561 N N -1.324 117.482 118.700 0.176 0.000 2.223 561 N HA -0.158 4.582 4.740 -0.000 0.000 0.185 561 N C 1.401 176.977 175.510 0.110 0.000 1.016 561 N CA 1.548 54.691 53.050 0.156 0.000 0.863 561 N CB -0.096 38.512 38.487 0.202 0.000 0.983 561 N HN 0.333 nan 8.380 nan 0.000 0.429 562 T N 1.400 116.001 114.554 0.078 0.000 2.894 562 T HA -0.045 4.305 4.350 -0.000 0.000 0.258 562 T C 2.024 176.748 174.700 0.039 0.000 1.043 562 T CA 0.706 62.861 62.100 0.092 0.000 1.141 562 T CB -0.079 68.837 68.868 0.080 0.000 0.873 562 T HN 0.362 nan 8.240 nan 0.000 0.449 563 M N 2.100 121.688 119.600 -0.021 0.000 2.296 563 M HA -0.003 4.477 4.480 -0.000 0.000 0.265 563 M C 1.905 178.168 176.300 -0.061 0.000 1.064 563 M CA 1.761 57.039 55.300 -0.037 0.000 1.109 563 M CB -0.820 31.750 32.600 -0.049 0.000 1.396 563 M HN 0.224 nan 8.290 nan 0.000 0.430 564 T N -4.062 110.403 114.554 -0.148 0.000 3.054 564 T HA 0.181 4.531 4.350 -0.000 0.000 0.255 564 T C -0.122 174.585 174.700 0.013 0.000 1.035 564 T CA -0.013 62.017 62.100 -0.118 0.000 0.941 564 T CB -0.184 68.469 68.868 -0.358 0.000 1.026 564 T HN 0.482 nan 8.240 nan 0.000 0.533 565 D N 1.317 121.757 120.400 0.067 0.000 2.718 565 D HA -0.107 4.533 4.640 -0.000 0.000 0.242 565 D C -0.760 175.506 176.300 -0.058 0.000 1.123 565 D CA 0.866 54.938 54.000 0.119 0.000 0.690 565 D CB -2.003 38.793 40.800 -0.008 0.000 1.059 565 D HN 0.445 nan 8.370 nan 0.000 0.429 566 T N 1.301 115.882 114.554 0.045 0.000 2.747 566 T HA 0.513 4.863 4.350 -0.000 0.000 0.301 566 T C 0.023 174.772 174.700 0.082 0.000 0.952 566 T CA -0.394 61.682 62.100 -0.041 0.000 0.983 566 T CB 0.339 69.211 68.868 0.006 0.000 0.930 566 T HN 0.305 nan 8.240 nan 0.000 0.494 567 Y N 0.000 120.366 120.300 0.110 0.000 2.660 567 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 567 Y CA 0.000 58.183 58.100 0.138 0.000 1.940 567 Y CB 0.000 38.581 38.460 0.202 0.000 1.050 567 Y HN 0.000 nan 8.280 nan 0.000 0.758