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 3nvq_1_A DATA FIRST_RESID 46 DATA SEQUENCE GHLRSGPRIF AVWKGHVGQD RVDFGQTEPH TVLFHEPGSS SVWVGGRGKV DATA SEQUENCE YLFDFPEGKN ASVRTVNIGS TKGScLDKRD cENYITLLER RSEGLLAcGT DATA SEQUENCE NARHPScWNL VNGTVVPLGE MRGYAPFSPD ENSLVLFEGD EVYSTIRKQE DATA SEQUENCE YNGKIPRFRR IRGESELYTS DTVMQNPQFI KATIVHQDQA YDDKIYYFFR DATA SEQUENCE EDNPDKNPEA PLNVSRVAQL cRGDQGGESS LSVSKWNTFL KAMLVcSDAA DATA SEQUENCE TNKNFNRLQD VFLLPDPSGQ WRDTRVYGVF SNPWNYSAVc VYSLGDIDKV DATA SEQUENCE FRTSSLKGYH SSLPNPRPGK cLPDQQPIPT ETFQVADRHP EVAQRVEPMG DATA SEQUENCE PLKTPLFHSK YHYQKVAVHR MQASHGETFH VLYLTTDRGT IHKVVEPGEQ DATA SEQUENCE EHSFAFNIME IQPFRRAAAI QTMSLDAERR KLYVSSQWEV SQVPLDLcEV DATA SEQUENCE YGGGcHGcLM SRDPYcGWDQ GRcISIYSSE RSVLQSINPA EPHKEcPNPK DATA SEQUENCE PDKAPLQKVS LAPNSRYYLS cPMESRHATY SWRHKENVEQ ScEPGHQSPN DATA SEQUENCE cILFIENLTA QQYGHYFcEA QEGSYFREAQ HWQLLPED 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 46 G HA2 0.000 nan 3.960 nan 0.000 0.244 46 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 46 G C 0.000 174.374 174.900 -0.877 0.000 0.946 46 G CA 0.000 44.702 45.100 -0.663 0.000 0.502 47 H N -0.459 118.199 119.070 -0.685 0.000 2.771 47 H HA 0.491 5.047 4.556 0.000 0.000 0.361 47 H C -0.938 174.161 175.328 -0.381 0.000 1.108 47 H CA -0.612 55.191 56.048 -0.408 0.000 1.201 47 H CB 2.117 31.706 29.762 -0.289 0.000 1.681 47 H HN 0.222 nan 8.280 nan 0.000 0.534 48 L N 3.096 124.238 121.223 -0.135 0.000 2.536 48 L HA 0.246 4.586 4.340 0.000 0.000 0.242 48 L C 1.382 178.111 176.870 -0.235 0.000 1.280 48 L CA 0.435 55.181 54.840 -0.156 0.000 1.221 48 L CB -0.358 41.643 42.059 -0.097 0.000 1.449 48 L HN 0.368 nan 8.230 nan 0.000 0.405 49 R N -0.824 119.492 120.500 -0.308 0.000 2.466 49 R HA 0.094 4.434 4.340 0.000 0.000 0.279 49 R C 1.612 177.713 176.300 -0.332 0.000 0.976 49 R CA 0.473 56.219 56.100 -0.590 0.000 1.081 49 R CB 0.323 30.281 30.300 -0.570 0.000 1.215 49 R HN 0.545 nan 8.270 nan 0.000 0.546 50 S N -0.780 114.836 115.700 -0.141 0.000 2.561 50 S HA 0.034 4.504 4.470 0.000 0.000 0.225 50 S C 1.038 175.686 174.600 0.079 0.000 0.977 50 S CA -0.072 58.131 58.200 0.004 0.000 0.926 50 S CB 0.390 63.695 63.200 0.176 0.000 0.769 50 S HN 0.253 nan 8.310 nan 0.000 0.533 51 G N 1.972 110.818 108.800 0.076 0.000 2.400 51 G HA2 0.560 4.520 3.960 0.000 0.000 0.301 51 G HA3 0.560 4.520 3.960 0.000 0.000 0.301 51 G C -3.188 171.682 174.900 -0.051 0.000 1.154 51 G CA -2.105 43.075 45.100 0.132 0.000 0.852 51 G HN 0.101 nan 8.290 nan 0.000 0.511 52 P HA 0.063 nan 4.420 nan 0.000 0.264 52 P C 0.661 177.725 177.300 -0.394 0.000 1.193 52 P CA -0.067 62.713 63.100 -0.533 0.000 0.763 52 P CB 0.955 32.096 31.700 -0.932 0.000 0.810 53 R N 3.931 124.082 120.500 -0.581 0.000 2.153 53 R HA 0.122 4.462 4.340 0.000 0.000 0.218 53 R C 0.224 176.382 176.300 -0.236 0.000 1.072 53 R CA 0.920 56.551 56.100 -0.781 0.000 0.990 53 R CB 0.120 29.844 30.300 -0.961 0.000 0.889 53 R HN 0.445 nan 8.270 nan 0.000 0.452 54 I N 0.913 121.393 120.570 -0.149 0.000 2.569 54 I HA 0.219 4.389 4.170 0.000 0.000 0.290 54 I C -1.244 174.856 176.117 -0.028 0.000 1.088 54 I CA -0.966 60.350 61.300 0.027 0.000 1.047 54 I CB 2.214 40.258 38.000 0.074 0.000 1.237 54 I HN -0.108 nan 8.210 nan 0.000 0.421 55 F N 4.987 124.895 119.950 -0.070 0.000 2.351 55 F HA 0.445 4.972 4.527 0.000 0.000 0.362 55 F C 1.063 176.827 175.800 -0.060 0.000 1.131 55 F CA -0.558 57.407 58.000 -0.059 0.000 1.187 55 F CB 0.584 39.571 39.000 -0.023 0.000 1.434 55 F HN 0.450 nan 8.300 nan 0.000 0.553 56 A N 2.477 125.288 122.820 -0.015 0.000 2.520 56 A HA 0.401 4.721 4.320 0.000 0.000 0.235 56 A C -0.173 177.419 177.584 0.013 0.000 1.065 56 A CA -0.159 51.840 52.037 -0.062 0.000 0.764 56 A CB 0.203 19.094 19.000 -0.181 0.000 1.002 56 A HN 0.442 nan 8.150 nan 0.000 0.502 57 V N 3.086 123.013 119.914 0.021 0.000 2.376 57 V HA 0.218 4.338 4.120 0.000 0.000 0.287 57 V C -0.831 175.335 176.094 0.120 0.000 1.015 57 V CA -0.361 61.982 62.300 0.071 0.000 0.834 57 V CB 1.230 33.084 31.823 0.052 0.000 1.001 57 V HN 0.895 nan 8.190 nan 0.000 0.428 58 W N 6.707 127.956 121.300 -0.086 0.000 2.357 58 W HA 0.538 5.198 4.660 0.000 0.000 0.317 58 W C -0.101 176.359 176.519 -0.098 0.000 1.101 58 W CA -1.780 55.499 57.345 -0.110 0.000 1.380 58 W CB 0.885 30.274 29.460 -0.119 0.000 1.266 58 W HN 0.426 nan 8.180 nan 0.000 0.419 59 K N 4.926 125.296 120.400 -0.050 0.000 2.356 59 K HA 0.496 4.816 4.320 0.000 0.000 0.243 59 K C 0.823 177.175 176.600 -0.414 0.000 1.072 59 K CA -0.276 55.880 56.287 -0.219 0.000 1.014 59 K CB 0.824 33.260 32.500 -0.107 0.000 1.523 59 K HN 0.426 nan 8.250 nan 0.000 0.455 60 G N 0.986 109.314 108.800 -0.787 0.000 3.086 60 G HA2 0.089 4.049 3.960 0.000 0.000 0.159 60 G HA3 0.089 4.049 3.960 0.000 0.000 0.159 60 G C -0.577 173.883 174.900 -0.733 0.000 1.654 60 G CA -0.391 44.194 45.100 -0.859 0.000 1.078 60 G HN 0.566 nan 8.290 nan 0.000 0.558 61 H N 0.391 119.314 119.070 -0.244 0.000 2.792 61 H HA 0.280 4.836 4.556 0.000 0.000 0.298 61 H C 0.057 175.302 175.328 -0.137 0.000 1.042 61 H CA -0.693 55.274 56.048 -0.135 0.000 1.300 61 H CB 0.899 30.622 29.762 -0.065 0.000 1.431 61 H HN 0.401 nan 8.280 nan 0.000 0.496 62 V N 0.892 120.781 119.914 -0.042 0.000 2.717 62 V HA 0.122 4.242 4.120 0.000 0.000 0.302 62 V C 1.270 177.352 176.094 -0.021 0.000 1.097 62 V CA 1.022 63.289 62.300 -0.055 0.000 1.262 62 V CB -0.220 31.577 31.823 -0.044 0.000 0.846 62 V HN 1.080 nan 8.190 nan 0.000 0.485 63 G N 2.758 111.542 108.800 -0.028 0.000 2.179 63 G HA2 -0.285 3.675 3.960 0.000 0.000 0.260 63 G HA3 -0.285 3.675 3.960 0.000 0.000 0.260 63 G C 0.559 175.465 174.900 0.010 0.000 0.977 63 G CA 0.783 45.876 45.100 -0.012 0.000 0.641 63 G HN 0.871 nan 8.290 nan 0.000 0.533 64 Q N -0.798 119.025 119.800 0.040 0.000 2.402 64 Q HA 0.128 4.468 4.340 0.000 0.000 0.231 64 Q C 1.565 177.689 176.000 0.206 0.000 0.888 64 Q CA 0.538 56.403 55.803 0.102 0.000 0.938 64 Q CB 0.270 29.080 28.738 0.119 0.000 1.086 64 Q HN 0.467 nan 8.270 nan 0.000 0.543 65 D N 1.142 121.615 120.400 0.122 0.000 2.216 65 D HA 0.010 4.650 4.640 0.000 0.000 0.208 65 D C 0.569 177.055 176.300 0.311 0.000 0.960 65 D CA 0.810 54.906 54.000 0.160 0.000 0.861 65 D CB 0.480 41.145 40.800 -0.225 0.000 0.985 65 D HN 0.214 nan 8.370 nan 0.000 0.493 66 R N -0.351 120.300 120.500 0.251 0.000 2.604 66 R HA 0.576 4.916 4.340 0.000 0.000 0.270 66 R C -1.686 174.726 176.300 0.187 0.000 1.052 66 R CA -0.725 55.549 56.100 0.290 0.000 0.902 66 R CB 1.475 31.896 30.300 0.202 0.000 1.233 66 R HN -0.250 nan 8.270 nan 0.000 0.455 67 V N 1.519 121.547 119.914 0.191 0.000 2.656 67 V HA 0.302 4.422 4.120 0.000 0.000 0.307 67 V C -0.649 175.485 176.094 0.067 0.000 1.051 67 V CA -0.938 61.449 62.300 0.146 0.000 0.893 67 V CB 2.015 33.995 31.823 0.261 0.000 0.999 67 V HN 0.730 nan 8.190 nan 0.000 0.426 68 D N 2.093 122.502 120.400 0.015 0.000 2.329 68 D HA 0.521 5.161 4.640 0.000 0.000 0.246 68 D C -0.262 176.013 176.300 -0.041 0.000 1.111 68 D CA -0.037 53.918 54.000 -0.074 0.000 0.941 68 D CB 0.703 41.501 40.800 -0.004 0.000 1.169 68 D HN 0.248 nan 8.370 nan 0.000 0.441 69 F N -0.335 119.680 119.950 0.109 0.000 2.375 69 F HA 0.359 4.886 4.527 0.000 0.000 0.313 69 F C 1.950 177.818 175.800 0.113 0.000 1.176 69 F CA -0.612 57.405 58.000 0.028 0.000 1.142 69 F CB 0.357 39.308 39.000 -0.082 0.000 1.275 69 F HN 0.374 nan 8.300 nan 0.000 0.544 70 G N -0.488 108.549 108.800 0.396 0.000 2.403 70 G HA2 0.026 3.986 3.960 0.000 0.000 0.216 70 G HA3 0.026 3.986 3.960 0.000 0.000 0.216 70 G C 0.188 175.214 174.900 0.209 0.000 1.154 70 G CA 0.502 45.743 45.100 0.235 0.000 0.784 70 G HN 0.636 nan 8.290 nan 0.000 0.538 71 Q N -1.685 118.282 119.800 0.279 0.000 3.156 71 Q HA 0.582 4.922 4.340 0.000 0.000 0.301 71 Q C -1.115 175.083 176.000 0.329 0.000 1.026 71 Q CA -0.791 55.153 55.803 0.235 0.000 0.827 71 Q CB 0.792 29.636 28.738 0.175 0.000 1.490 71 Q HN -0.079 nan 8.270 nan 0.000 0.492 72 T N 0.718 115.457 114.554 0.309 0.000 2.767 72 T HA 0.218 4.568 4.350 0.000 0.000 0.288 72 T C -1.002 173.784 174.700 0.143 0.000 0.963 72 T CA -0.464 61.855 62.100 0.364 0.000 1.019 72 T CB 0.477 69.611 68.868 0.442 0.000 0.923 72 T HN 0.429 nan 8.240 nan 0.000 0.468 73 E N 6.179 126.386 120.200 0.012 0.000 2.101 73 E HA 0.240 4.590 4.350 0.000 0.000 0.260 73 E C -1.947 174.586 176.600 -0.111 0.000 0.897 73 E CA -2.043 54.308 56.400 -0.083 0.000 0.744 73 E CB 1.847 31.331 29.700 -0.360 0.000 1.140 73 E HN 0.500 nan 8.360 nan 0.000 0.419 74 P HA -0.061 nan 4.420 nan 0.000 0.219 74 P C -0.363 176.575 177.300 -0.605 0.000 1.150 74 P CA 1.062 63.935 63.100 -0.379 0.000 0.814 74 P CB 0.233 31.677 31.700 -0.427 0.000 0.787 75 H N -1.115 117.946 119.070 -0.015 0.000 2.685 75 H HA 0.466 5.022 4.556 0.000 0.000 0.307 75 H C 0.096 175.458 175.328 0.056 0.000 1.017 75 H CA -0.454 55.561 56.048 -0.056 0.000 1.237 75 H CB 0.585 30.158 29.762 -0.314 0.000 1.409 75 H HN -0.068 nan 8.280 nan 0.000 0.488 76 T N 0.043 114.672 114.554 0.126 0.000 2.901 76 T HA 0.767 5.117 4.350 0.000 0.000 0.293 76 T C -0.694 174.112 174.700 0.177 0.000 1.084 76 T CA -0.877 61.312 62.100 0.150 0.000 1.008 76 T CB 1.690 70.621 68.868 0.105 0.000 1.170 76 T HN 0.251 nan 8.240 nan 0.000 0.509 77 V N 1.359 121.402 119.914 0.216 0.000 2.841 77 V HA 0.669 4.789 4.120 0.000 0.000 0.310 77 V C -1.013 175.251 176.094 0.283 0.000 1.090 77 V CA -0.953 61.485 62.300 0.231 0.000 0.930 77 V CB 1.953 33.913 31.823 0.228 0.000 1.014 77 V HN 1.002 nan 8.190 nan 0.000 0.425 78 L N 4.216 125.608 121.223 0.281 0.000 2.356 78 L HA 0.719 5.059 4.340 0.000 0.000 0.277 78 L C -1.594 175.494 176.870 0.363 0.000 0.996 78 L CA -0.409 54.620 54.840 0.315 0.000 0.822 78 L CB 1.621 43.816 42.059 0.226 0.000 1.256 78 L HN 0.650 nan 8.230 nan 0.000 0.413 79 F N 5.162 125.285 119.950 0.288 0.000 2.495 79 F HA 0.591 5.118 4.527 0.000 0.000 0.327 79 F C -0.975 175.036 175.800 0.353 0.000 1.103 79 F CA -0.206 57.960 58.000 0.277 0.000 0.949 79 F CB 1.042 40.182 39.000 0.232 0.000 1.142 79 F HN 0.563 nan 8.300 nan 0.000 0.457 80 H N 5.676 124.289 119.070 -0.762 0.000 3.154 80 H HA 0.180 4.737 4.556 0.000 0.000 0.330 80 H C -1.627 173.337 175.328 -0.607 0.000 1.033 80 H CA -0.644 55.078 56.048 -0.544 0.000 1.393 80 H CB 1.619 31.135 29.762 -0.409 0.000 1.951 80 H HN 0.814 nan 8.280 nan 0.000 0.466 81 E N 6.438 126.110 120.200 -0.880 0.000 2.259 81 E HA 0.277 4.627 4.350 0.000 0.000 0.281 81 E C -2.572 173.714 176.600 -0.523 0.000 1.027 81 E CA -2.116 53.976 56.400 -0.512 0.000 0.838 81 E CB 1.533 31.096 29.700 -0.228 0.000 1.066 81 E HN 0.332 nan 8.360 nan 0.000 0.401 82 P HA -0.105 nan 4.420 nan 0.000 0.264 82 P C 0.840 178.135 177.300 -0.009 0.000 1.183 82 P CA 1.198 64.317 63.100 0.031 0.000 0.763 82 P CB 0.700 32.444 31.700 0.073 0.000 0.807 83 G N 1.456 110.300 108.800 0.073 0.000 2.299 83 G HA2 -0.269 3.691 3.960 0.000 0.000 0.237 83 G HA3 -0.269 3.691 3.960 0.000 0.000 0.237 83 G C 0.525 175.448 174.900 0.039 0.000 1.027 83 G CA 0.355 45.487 45.100 0.054 0.000 0.619 83 G HN 0.838 nan 8.290 nan 0.000 0.513 84 S N 0.361 116.022 115.700 -0.066 0.000 2.600 84 S HA 0.524 4.994 4.470 0.000 0.000 0.265 84 S C 1.708 176.354 174.600 0.076 0.000 1.325 84 S CA 1.033 59.202 58.200 -0.053 0.000 1.002 84 S CB 1.215 64.306 63.200 -0.183 0.000 0.921 84 S HN 1.595 nan 8.310 nan 0.000 0.554 85 S N 1.721 117.478 115.700 0.095 0.000 2.540 85 S HA 0.294 4.764 4.470 0.000 0.000 0.218 85 S C 0.206 174.907 174.600 0.168 0.000 0.977 85 S CA -0.448 57.857 58.200 0.174 0.000 0.918 85 S CB 0.029 63.309 63.200 0.133 0.000 0.806 85 S HN 0.423 nan 8.310 nan 0.000 0.496 86 S N 1.152 116.894 115.700 0.069 0.000 2.525 86 S HA 0.700 5.170 4.470 0.000 0.000 0.290 86 S C -0.777 173.836 174.600 0.022 0.000 1.152 86 S CA -0.540 57.642 58.200 -0.030 0.000 1.072 86 S CB 1.722 64.823 63.200 -0.165 0.000 1.027 86 S HN 0.266 nan 8.310 nan 0.000 0.500 87 V N 3.131 123.060 119.914 0.025 0.000 2.525 87 V HA 0.396 4.516 4.120 0.000 0.000 0.299 87 V C -1.385 174.838 176.094 0.214 0.000 1.034 87 V CA -0.725 61.670 62.300 0.159 0.000 0.863 87 V CB 1.217 33.131 31.823 0.153 0.000 0.999 87 V HN 0.918 nan 8.190 nan 0.000 0.423 88 W N 3.754 125.287 121.300 0.388 0.000 2.433 88 W HA 0.731 5.391 4.660 0.000 0.000 0.315 88 W C -0.453 176.328 176.519 0.437 0.000 1.087 88 W CA -0.750 56.847 57.345 0.421 0.000 1.205 88 W CB 1.675 31.368 29.460 0.388 0.000 1.288 88 W HN 0.280 nan 8.180 nan 0.000 0.504 89 V N 3.460 123.808 119.914 0.723 0.000 2.447 89 V HA 0.545 4.665 4.120 0.000 0.000 0.292 89 V C 0.405 176.821 176.094 0.537 0.000 1.021 89 V CA -0.978 61.688 62.300 0.610 0.000 0.850 89 V CB 1.134 33.378 31.823 0.701 0.000 1.005 89 V HN 0.706 nan 8.190 nan 0.000 0.426 90 G N 2.735 111.765 108.800 0.384 0.000 2.380 90 G HA2 0.592 4.552 3.960 0.000 0.000 0.262 90 G HA3 0.592 4.552 3.960 0.000 0.000 0.262 90 G C 0.293 175.352 174.900 0.266 0.000 1.243 90 G CA 0.584 45.853 45.100 0.282 0.000 0.865 90 G HN 1.032 nan 8.290 nan 0.000 0.513 91 G N 0.872 109.803 108.800 0.218 0.000 3.195 91 G HA2 0.492 4.452 3.960 0.000 0.000 0.217 91 G HA3 0.492 4.452 3.960 0.000 0.000 0.217 91 G C -0.506 174.465 174.900 0.119 0.000 1.166 91 G CA -0.891 44.333 45.100 0.206 0.000 0.812 91 G HN 0.625 nan 8.290 nan 0.000 0.617 92 R N 0.584 121.096 120.500 0.020 0.000 2.272 92 R HA 0.421 4.761 4.340 0.000 0.000 0.334 92 R C 1.018 177.171 176.300 -0.245 0.000 1.117 92 R CA 0.981 56.912 56.100 -0.282 0.000 0.966 92 R CB -0.222 29.906 30.300 -0.287 0.000 1.049 92 R HN 1.419 nan 8.270 nan 0.000 0.477 93 G N 3.672 112.311 108.800 -0.268 0.000 2.155 93 G HA2 -0.345 3.615 3.960 0.000 0.000 0.257 93 G HA3 -0.345 3.615 3.960 0.000 0.000 0.257 93 G C -0.325 174.430 174.900 -0.241 0.000 0.983 93 G CA 1.077 46.033 45.100 -0.239 0.000 0.676 93 G HN 0.670 nan 8.290 nan 0.000 0.528 94 K N -2.784 117.481 120.400 -0.225 0.000 2.680 94 K HA 0.765 5.085 4.320 0.000 0.000 0.295 94 K C -1.554 174.935 176.600 -0.185 0.000 1.052 94 K CA -0.692 55.442 56.287 -0.255 0.000 0.863 94 K CB 1.874 34.169 32.500 -0.342 0.000 1.549 94 K HN 1.029 nan 8.250 nan 0.000 0.391 95 V N 1.206 121.021 119.914 -0.165 0.000 2.638 95 V HA 0.533 4.653 4.120 0.000 0.000 0.306 95 V C -1.853 174.254 176.094 0.021 0.000 1.052 95 V CA -0.485 61.841 62.300 0.044 0.000 0.885 95 V CB 1.244 33.149 31.823 0.137 0.000 0.999 95 V HN 0.694 nan 8.190 nan 0.000 0.424 96 Y N 5.803 126.239 120.300 0.225 0.000 2.310 96 Y HA 0.666 5.216 4.550 0.000 0.000 0.326 96 Y C -0.027 175.940 175.900 0.111 0.000 1.151 96 Y CA -0.524 57.651 58.100 0.125 0.000 1.195 96 Y CB 1.878 40.474 38.460 0.226 0.000 1.210 96 Y HN 0.602 nan 8.280 nan 0.000 0.483 97 L N 4.825 126.028 121.223 -0.034 0.000 2.353 97 L HA 0.528 4.868 4.340 0.000 0.000 0.270 97 L C -1.746 174.918 176.870 -0.342 0.000 1.003 97 L CA -0.649 53.994 54.840 -0.328 0.000 0.862 97 L CB -0.404 41.369 42.059 -0.478 0.000 1.221 97 L HN 0.378 nan 8.230 nan 0.000 0.430 98 F N 2.511 122.376 119.950 -0.143 0.000 2.379 98 F HA 0.446 4.973 4.527 -0.000 0.000 0.332 98 F C 0.343 176.038 175.800 -0.175 0.000 1.096 98 F CA -0.168 57.767 58.000 -0.109 0.000 1.105 98 F CB 1.384 40.450 39.000 0.111 0.000 1.189 98 F HN 0.467 nan 8.300 nan 0.000 0.515 99 D N 1.888 122.226 120.400 -0.103 0.000 2.593 99 D HA 0.366 5.006 4.640 0.000 0.000 0.251 99 D C -1.367 174.792 176.300 -0.235 0.000 1.140 99 D CA -0.268 53.676 54.000 -0.094 0.000 0.855 99 D CB 0.621 41.353 40.800 -0.112 0.000 1.267 99 D HN 0.239 nan 8.370 nan 0.000 0.532 100 F N 4.768 124.783 119.950 0.109 0.000 2.471 100 F HA 0.311 4.838 4.527 -0.000 0.000 0.318 100 F C -1.882 173.981 175.800 0.105 0.000 1.308 100 F CA -1.715 56.364 58.000 0.132 0.000 1.162 100 F CB 1.258 40.385 39.000 0.211 0.000 1.383 100 F HN 0.124 nan 8.300 nan 0.000 0.552 101 P HA -0.038 nan 4.420 nan 0.000 0.265 101 P C 0.016 177.386 177.300 0.116 0.000 1.222 101 P CA 0.056 63.221 63.100 0.108 0.000 0.767 101 P CB 0.946 32.674 31.700 0.047 0.000 0.801 102 E N 3.348 123.616 120.200 0.113 0.000 2.608 102 E HA 0.147 4.497 4.350 0.000 0.000 0.259 102 E C 1.588 178.221 176.600 0.055 0.000 0.951 102 E CA 1.738 58.194 56.400 0.094 0.000 0.945 102 E CB -0.687 29.059 29.700 0.077 0.000 0.916 102 E HN 0.758 nan 8.360 nan 0.000 0.477 103 G N 3.715 112.540 108.800 0.042 0.000 2.175 103 G HA2 -0.331 3.629 3.960 0.000 0.000 0.265 103 G HA3 -0.331 3.629 3.960 0.000 0.000 0.265 103 G C 0.159 175.045 174.900 -0.023 0.000 0.979 103 G CA 0.884 45.975 45.100 -0.015 0.000 0.663 103 G HN 0.479 nan 8.290 nan 0.000 0.533 104 K N -0.534 119.874 120.400 0.013 0.000 2.482 104 K HA 0.342 4.662 4.320 0.000 0.000 0.257 104 K C -0.324 176.286 176.600 0.016 0.000 0.969 104 K CA -1.130 55.159 56.287 0.003 0.000 0.842 104 K CB 0.979 33.481 32.500 0.002 0.000 1.359 104 K HN 0.061 nan 8.250 nan 0.000 0.441 105 N N 0.814 119.512 118.700 -0.004 0.000 2.294 105 N HA 0.003 4.743 4.740 0.000 0.000 0.248 105 N C -0.591 174.891 175.510 -0.047 0.000 1.242 105 N CA 0.455 53.496 53.050 -0.015 0.000 0.848 105 N CB 0.502 38.973 38.487 -0.026 0.000 1.084 105 N HN 0.583 nan 8.380 nan 0.000 0.457 106 A N 0.809 123.573 122.820 -0.093 0.000 2.281 106 A HA 0.803 5.123 4.320 0.000 0.000 0.329 106 A C -0.037 177.406 177.584 -0.235 0.000 1.122 106 A CA -0.338 51.537 52.037 -0.269 0.000 0.850 106 A CB 0.667 19.301 19.000 -0.610 0.000 1.207 106 A HN 0.745 nan 8.150 nan 0.000 0.495 107 S N -1.352 114.180 115.700 -0.281 0.000 2.643 107 S HA 0.750 5.220 4.470 0.000 0.000 0.270 107 S C -0.724 173.737 174.600 -0.230 0.000 1.166 107 S CA -0.139 57.948 58.200 -0.188 0.000 0.815 107 S CB 0.718 63.835 63.200 -0.138 0.000 1.139 107 S HN 1.597 nan 8.310 nan 0.000 0.472 108 V N -0.723 119.048 119.914 -0.239 0.000 3.103 108 V HA 0.901 5.021 4.120 0.000 0.000 0.318 108 V C -0.409 175.538 176.094 -0.244 0.000 1.114 108 V CA -0.965 61.100 62.300 -0.393 0.000 1.020 108 V CB 1.608 33.205 31.823 -0.377 0.000 1.085 108 V HN 1.006 nan 8.190 nan 0.000 0.446 109 R N 1.087 121.440 120.500 -0.245 0.000 2.522 109 R HA 0.490 4.830 4.340 0.000 0.000 0.273 109 R C -1.059 175.160 176.300 -0.134 0.000 1.133 109 R CA -0.091 55.919 56.100 -0.151 0.000 0.969 109 R CB 2.097 32.311 30.300 -0.144 0.000 1.235 109 R HN 1.145 nan 8.270 nan 0.000 0.433 110 T N -0.757 113.720 114.554 -0.129 0.000 2.794 110 T HA 0.553 4.903 4.350 0.000 0.000 0.280 110 T C -0.142 174.466 174.700 -0.154 0.000 0.987 110 T CA -0.590 61.382 62.100 -0.213 0.000 0.993 110 T CB 1.557 70.270 68.868 -0.258 0.000 0.939 110 T HN 0.108 nan 8.240 nan 0.000 0.449 111 V N 3.950 123.773 119.914 -0.153 0.000 2.250 111 V HA 0.306 4.426 4.120 0.000 0.000 0.268 111 V C -0.089 175.909 176.094 -0.160 0.000 1.043 111 V CA -1.124 61.116 62.300 -0.100 0.000 0.814 111 V CB -0.177 31.642 31.823 -0.007 0.000 1.072 111 V HN 0.895 nan 8.190 nan 0.000 0.451 112 N N 4.354 122.952 118.700 -0.170 0.000 2.411 112 N HA 0.138 4.878 4.740 0.000 0.000 0.261 112 N C -0.008 175.364 175.510 -0.231 0.000 1.248 112 N CA 0.312 53.244 53.050 -0.196 0.000 0.885 112 N CB 0.481 38.875 38.487 -0.155 0.000 1.062 112 N HN 0.441 nan 8.380 nan 0.000 0.471 113 I N 1.399 121.781 120.570 -0.313 0.000 2.998 113 I HA 0.235 4.405 4.170 0.000 0.000 0.338 113 I C 1.162 177.014 176.117 -0.441 0.000 1.413 113 I CA -0.364 60.641 61.300 -0.493 0.000 0.880 113 I CB -0.467 37.086 38.000 -0.745 0.000 2.051 113 I HN 0.471 nan 8.210 nan 0.000 0.561 114 G N 1.698 110.338 108.800 -0.266 0.000 2.707 114 G HA2 -0.005 3.955 3.960 0.000 0.000 0.231 114 G HA3 -0.005 3.955 3.960 0.000 0.000 0.231 114 G C 1.000 175.816 174.900 -0.141 0.000 1.246 114 G CA 0.219 45.209 45.100 -0.183 0.000 0.852 114 G HN 0.607 nan 8.290 nan 0.000 0.584 115 S N -0.654 114.997 115.700 -0.081 0.000 2.894 115 S HA -0.015 4.455 4.470 0.000 0.000 0.231 115 S C 1.008 175.628 174.600 0.034 0.000 0.971 115 S CA 0.463 58.663 58.200 -0.000 0.000 1.005 115 S CB -0.367 62.837 63.200 0.006 0.000 0.799 115 S HN 0.489 nan 8.310 nan 0.000 0.527 116 T N 2.840 117.402 114.554 0.015 0.000 4.282 116 T HA 0.192 4.542 4.350 0.000 0.000 0.231 116 T C 0.405 175.147 174.700 0.070 0.000 1.004 116 T CA 0.248 62.365 62.100 0.029 0.000 1.146 116 T CB -0.574 68.298 68.868 0.007 0.000 1.285 116 T HN 0.472 nan 8.240 nan 0.000 0.971 117 K N 1.133 121.574 120.400 0.069 0.000 3.017 117 K HA 0.358 4.678 4.320 0.000 0.000 0.178 117 K C 0.191 176.793 176.600 0.003 0.000 1.103 117 K CA -0.310 56.011 56.287 0.057 0.000 1.084 117 K CB 0.634 33.204 32.500 0.117 0.000 0.711 117 K HN 0.550 nan 8.250 nan 0.000 0.416 118 G N 1.501 110.304 108.800 0.005 0.000 2.604 118 G HA2 -0.162 3.798 3.960 0.000 0.000 0.225 118 G HA3 -0.162 3.798 3.960 0.000 0.000 0.225 118 G C -0.601 174.310 174.900 0.019 0.000 1.059 118 G CA -0.354 44.738 45.100 -0.012 0.000 1.203 118 G HN 0.109 nan 8.290 nan 0.000 0.630 119 S N -0.291 115.421 115.700 0.020 0.000 2.549 119 S HA 0.417 4.887 4.470 0.000 0.000 0.286 119 S C 1.304 175.924 174.600 0.033 0.000 1.314 119 S CA 0.098 58.315 58.200 0.027 0.000 1.062 119 S CB -0.020 63.190 63.200 0.016 0.000 0.865 119 S HN 0.888 nan 8.310 nan 0.000 0.498 120 c N 5.995 124.622 118.600 0.045 0.000 2.601 120 c HA 0.362 4.932 4.570 0.000 0.000 0.409 120 c C 0.712 174.823 174.090 0.036 0.000 1.293 120 c CA -0.825 55.534 56.329 0.049 0.000 2.101 120 c CB -0.891 41.656 42.510 0.062 0.000 2.639 120 c HN 0.742 nan 8.230 nan 0.000 0.592 121 L N 2.225 123.468 121.223 0.034 0.000 2.399 121 L HA 0.284 4.624 4.340 0.000 0.000 0.266 121 L C 0.383 177.270 176.870 0.029 0.000 1.114 121 L CA 0.213 55.069 54.840 0.026 0.000 0.804 121 L CB 0.392 42.464 42.059 0.023 0.000 1.146 121 L HN 0.871 nan 8.230 nan 0.000 0.451 122 D N 1.826 122.241 120.400 0.025 0.000 3.187 122 D HA -0.200 4.440 4.640 0.000 0.000 0.244 122 D C -0.109 176.210 176.300 0.032 0.000 1.114 122 D CA 0.578 54.594 54.000 0.027 0.000 0.920 122 D CB -0.186 40.630 40.800 0.026 0.000 0.970 122 D HN 0.445 nan 8.370 nan 0.000 0.418 123 K N 1.932 122.350 120.400 0.030 0.000 2.447 123 K HA 0.191 4.511 4.320 0.000 0.000 0.281 123 K C 1.120 177.743 176.600 0.038 0.000 1.031 123 K CA 0.250 56.557 56.287 0.034 0.000 1.019 123 K CB 0.493 33.009 32.500 0.028 0.000 0.918 123 K HN 0.441 nan 8.250 nan 0.000 0.476 124 R N 1.632 122.159 120.500 0.046 0.000 4.870 124 R HA 0.046 4.386 4.340 0.000 0.000 0.117 124 R C -0.680 175.660 176.300 0.066 0.000 0.874 124 R CA 0.178 56.309 56.100 0.052 0.000 0.913 124 R CB 0.355 30.686 30.300 0.052 0.000 1.441 124 R HN 0.736 nan 8.270 nan 0.000 0.411 125 D N -0.209 120.237 120.400 0.076 0.000 2.978 125 D HA 0.144 4.784 4.640 0.000 0.000 0.268 125 D C -0.786 175.578 176.300 0.105 0.000 1.252 125 D CA -0.391 53.670 54.000 0.102 0.000 0.771 125 D CB -0.041 40.832 40.800 0.122 0.000 1.361 125 D HN 0.091 nan 8.370 nan 0.000 0.558 126 c N 1.565 120.212 118.600 0.078 0.000 2.361 126 c HA 0.259 4.829 4.570 0.000 0.000 0.336 126 c C 0.555 174.673 174.090 0.047 0.000 1.406 126 c CA -0.633 55.745 56.329 0.082 0.000 1.763 126 c CB -1.129 41.428 42.510 0.079 0.000 2.761 126 c HN 0.351 nan 8.230 nan 0.000 0.566 127 E N 1.338 121.547 120.200 0.015 0.000 2.342 127 E HA 0.110 4.460 4.350 0.000 0.000 0.257 127 E C -0.220 176.332 176.600 -0.080 0.000 1.150 127 E CA -0.181 56.144 56.400 -0.124 0.000 0.926 127 E CB 0.760 30.226 29.700 -0.390 0.000 1.074 127 E HN 0.307 nan 8.360 nan 0.000 0.449 128 N N 0.923 119.526 118.700 -0.161 0.000 2.976 128 N HA 0.069 4.809 4.740 0.000 0.000 0.255 128 N C -1.744 173.715 175.510 -0.086 0.000 1.312 128 N CA -0.222 52.796 53.050 -0.054 0.000 0.897 128 N CB -0.340 38.101 38.487 -0.077 0.000 1.184 128 N HN 0.265 nan 8.380 nan 0.000 0.497 129 Y N 2.389 122.710 120.300 0.035 0.000 2.569 129 Y HA 0.130 4.680 4.550 -0.000 0.000 0.332 129 Y C 0.708 176.641 175.900 0.055 0.000 1.120 129 Y CA -0.192 57.935 58.100 0.045 0.000 1.416 129 Y CB 0.475 38.965 38.460 0.050 0.000 1.210 129 Y HN 0.294 nan 8.280 nan 0.000 0.528 130 I N 4.527 125.214 120.570 0.195 0.000 2.363 130 I HA 0.019 4.189 4.170 0.000 0.000 0.292 130 I C 1.115 177.349 176.117 0.195 0.000 1.075 130 I CA 0.071 61.465 61.300 0.156 0.000 1.333 130 I CB 0.340 38.399 38.000 0.098 0.000 1.415 130 I HN 0.705 nan 8.210 nan 0.000 0.502 131 T N 3.354 118.015 114.554 0.178 0.000 3.044 131 T HA 0.298 4.648 4.350 0.000 0.000 0.260 131 T C 0.109 174.904 174.700 0.158 0.000 1.019 131 T CA -0.190 62.006 62.100 0.160 0.000 0.921 131 T CB 0.281 69.222 68.868 0.122 0.000 1.053 131 T HN 0.276 nan 8.240 nan 0.000 0.533 132 L N 1.034 122.354 121.223 0.162 0.000 2.455 132 L HA 0.694 5.034 4.340 0.000 0.000 0.264 132 L C -2.115 174.818 176.870 0.104 0.000 0.968 132 L CA -1.494 53.442 54.840 0.160 0.000 0.827 132 L CB 2.085 44.257 42.059 0.189 0.000 1.317 132 L HN 0.179 nan 8.230 nan 0.000 0.407 133 L N 4.128 125.385 121.223 0.056 0.000 2.446 133 L HA 0.634 4.974 4.340 0.000 0.000 0.268 133 L C -1.175 175.454 176.870 -0.402 0.000 0.975 133 L CA -0.408 54.341 54.840 -0.152 0.000 0.848 133 L CB 2.018 44.054 42.059 -0.039 0.000 1.225 133 L HN 0.654 nan 8.230 nan 0.000 0.410 134 E N 3.258 123.128 120.200 -0.550 0.000 2.290 134 E HA 0.419 4.769 4.350 0.000 0.000 0.274 134 E C -1.038 175.129 176.600 -0.721 0.000 0.889 134 E CA -0.762 55.238 56.400 -0.666 0.000 0.760 134 E CB 1.693 31.030 29.700 -0.606 0.000 1.206 134 E HN 0.492 nan 8.360 nan 0.000 0.419 135 R N 3.878 123.963 120.500 -0.691 0.000 2.312 135 R HA 0.624 4.964 4.340 0.000 0.000 0.311 135 R C -0.431 175.703 176.300 -0.276 0.000 1.004 135 R CA -0.703 55.138 56.100 -0.431 0.000 0.902 135 R CB 0.915 31.061 30.300 -0.257 0.000 1.073 135 R HN 0.297 nan 8.270 nan 0.000 0.457 136 R N 1.607 121.964 120.500 -0.238 0.000 3.006 136 R HA 0.242 4.582 4.340 0.000 0.000 0.235 136 R C 1.072 177.313 176.300 -0.099 0.000 1.362 136 R CA -0.546 55.453 56.100 -0.168 0.000 1.067 136 R CB 0.694 30.889 30.300 -0.175 0.000 1.396 136 R HN 0.896 nan 8.270 nan 0.000 0.504 137 S N -0.066 115.596 115.700 -0.063 0.000 2.402 137 S HA -0.128 4.342 4.470 0.000 0.000 0.229 137 S C 1.067 175.640 174.600 -0.045 0.000 1.021 137 S CA 1.216 59.394 58.200 -0.038 0.000 0.974 137 S CB -0.128 63.060 63.200 -0.020 0.000 0.800 137 S HN 0.546 nan 8.310 nan 0.000 0.484 138 E N 1.467 121.632 120.200 -0.059 0.000 2.347 138 E HA 0.419 4.769 4.350 0.000 0.000 0.196 138 E C 1.148 177.705 176.600 -0.071 0.000 1.008 138 E CA 0.626 56.990 56.400 -0.058 0.000 0.852 138 E CB -0.154 29.508 29.700 -0.063 0.000 0.783 138 E HN 0.727 nan 8.360 nan 0.000 0.505 139 G N -0.390 108.352 108.800 -0.097 0.000 2.325 139 G HA2 -0.012 3.948 3.960 0.000 0.000 0.285 139 G HA3 -0.012 3.948 3.960 0.000 0.000 0.285 139 G C -1.842 172.938 174.900 -0.199 0.000 1.303 139 G CA -0.807 44.222 45.100 -0.119 0.000 0.970 139 G HN 0.070 nan 8.290 nan 0.000 0.490 140 L N 0.638 121.703 121.223 -0.264 0.000 2.315 140 L HA 0.715 5.055 4.340 0.000 0.000 0.283 140 L C 0.215 176.888 176.870 -0.329 0.000 1.089 140 L CA -0.648 53.944 54.840 -0.415 0.000 0.833 140 L CB 0.772 42.443 42.059 -0.648 0.000 1.170 140 L HN 0.759 nan 8.230 nan 0.000 0.442 141 L N 6.066 127.091 121.223 -0.330 0.000 2.331 141 L HA 0.691 5.031 4.340 0.000 0.000 0.278 141 L C -0.253 176.522 176.870 -0.159 0.000 1.106 141 L CA 0.099 54.815 54.840 -0.207 0.000 0.824 141 L CB 0.797 42.732 42.059 -0.206 0.000 1.142 141 L HN 0.766 nan 8.230 nan 0.000 0.443 142 A N 4.998 127.806 122.820 -0.020 0.000 2.353 142 A HA 0.692 5.012 4.320 0.000 0.000 0.299 142 A C -0.986 176.744 177.584 0.245 0.000 1.089 142 A CA -0.525 51.552 52.037 0.067 0.000 0.736 142 A CB 0.720 19.742 19.000 0.035 0.000 1.195 142 A HN 0.753 nan 8.150 nan 0.000 0.447 143 c N 1.440 120.175 118.600 0.225 0.000 2.456 143 c HA 0.987 5.557 4.570 0.000 0.000 0.325 143 c C 0.880 175.148 174.090 0.296 0.000 1.217 143 c CA -0.156 56.339 56.329 0.276 0.000 1.687 143 c CB 1.224 43.853 42.510 0.198 0.000 2.270 143 c HN 1.187 nan 8.230 nan 0.000 0.499 144 G N 0.430 109.468 108.800 0.396 0.000 2.725 144 G HA2 0.558 4.518 3.960 0.000 0.000 0.288 144 G HA3 0.558 4.518 3.960 0.000 0.000 0.288 144 G C 0.630 175.662 174.900 0.220 0.000 1.399 144 G CA 0.386 45.664 45.100 0.296 0.000 0.859 144 G HN 0.736 nan 8.290 nan 0.000 0.479 145 T N -1.965 112.696 114.554 0.177 0.000 2.788 145 T HA -0.103 4.247 4.350 0.000 0.000 0.268 145 T C 1.160 175.949 174.700 0.149 0.000 1.044 145 T CA 1.309 63.480 62.100 0.118 0.000 1.139 145 T CB -0.470 68.499 68.868 0.168 0.000 0.867 145 T HN 0.947 nan 8.240 nan 0.000 0.454 146 N N 1.321 120.148 118.700 0.213 0.000 2.669 146 N HA -0.257 4.483 4.740 0.000 0.000 0.266 146 N C 0.211 175.861 175.510 0.233 0.000 1.024 146 N CA 0.099 53.298 53.050 0.249 0.000 0.766 146 N CB -1.377 37.318 38.487 0.345 0.000 0.898 146 N HN 1.077 nan 8.380 nan 0.000 0.548 147 A N 1.808 124.741 122.820 0.187 0.000 2.466 147 A HA -0.253 4.067 4.320 0.000 0.000 0.295 147 A C 0.905 178.621 177.584 0.219 0.000 1.465 147 A CA 1.761 53.917 52.037 0.199 0.000 0.744 147 A CB -1.321 17.804 19.000 0.207 0.000 1.098 147 A HN 0.889 nan 8.150 nan 0.000 0.402 148 R N -1.279 119.315 120.500 0.157 0.000 3.525 148 R HA -0.210 4.130 4.340 0.000 0.000 0.276 148 R C -0.367 175.876 176.300 -0.095 0.000 1.116 148 R CA 1.327 57.508 56.100 0.136 0.000 0.745 148 R CB -1.926 28.436 30.300 0.103 0.000 1.185 148 R HN 0.896 nan 8.270 nan 0.000 0.454 149 H N -1.411 117.733 119.070 0.122 0.000 2.514 149 H HA 0.165 4.721 4.556 -0.000 0.000 0.226 149 H C -2.531 172.777 175.328 -0.034 0.000 1.421 149 H CA -2.061 54.029 56.048 0.069 0.000 1.394 149 H CB 1.224 31.032 29.762 0.077 0.000 1.701 149 H HN -0.035 nan 8.280 nan 0.000 0.515 150 P HA -0.115 nan 4.420 nan 0.000 0.252 150 P C -0.336 176.900 177.300 -0.107 0.000 1.136 150 P CA 1.160 64.166 63.100 -0.155 0.000 0.778 150 P CB 0.457 31.944 31.700 -0.355 0.000 0.722 151 S N 1.784 117.416 115.700 -0.112 0.000 2.638 151 S HA 0.668 5.138 4.470 0.000 0.000 0.274 151 S C -0.809 173.516 174.600 -0.458 0.000 1.157 151 S CA -0.533 57.451 58.200 -0.361 0.000 0.826 151 S CB 1.350 64.222 63.200 -0.548 0.000 1.139 151 S HN 0.369 nan 8.310 nan 0.000 0.474 152 c N 1.253 119.440 118.600 -0.688 0.000 2.779 152 c HA 0.756 5.326 4.570 0.000 0.000 0.314 152 c C -0.982 172.722 174.090 -0.644 0.000 1.231 152 c CA -0.676 55.400 56.329 -0.422 0.000 1.652 152 c CB 0.954 43.287 42.510 -0.295 0.000 2.198 152 c HN 0.832 nan 8.230 nan 0.000 0.483 153 W N 0.850 122.089 121.300 -0.102 0.000 2.962 153 W HA 0.390 5.050 4.660 0.000 0.000 0.341 153 W C -0.717 175.730 176.519 -0.119 0.000 1.155 153 W CA -0.355 56.932 57.345 -0.098 0.000 1.165 153 W CB 1.838 31.251 29.460 -0.078 0.000 1.435 153 W HN 0.590 nan 8.180 nan 0.000 0.546 154 N N 1.551 120.314 118.700 0.106 0.000 2.372 154 N HA 0.497 5.237 4.740 0.000 0.000 0.285 154 N C -1.540 173.967 175.510 -0.004 0.000 1.008 154 N CA -0.304 52.743 53.050 -0.005 0.000 0.880 154 N CB 1.106 39.566 38.487 -0.046 0.000 1.239 154 N HN 0.299 nan 8.380 nan 0.000 0.484 155 L N 3.852 125.031 121.223 -0.072 0.000 2.301 155 L HA 0.445 4.785 4.340 0.000 0.000 0.278 155 L C 0.467 177.287 176.870 -0.084 0.000 1.022 155 L CA -0.636 54.158 54.840 -0.077 0.000 0.854 155 L CB 1.188 43.162 42.059 -0.143 0.000 1.226 155 L HN 0.375 nan 8.230 nan 0.000 0.429 156 V N 1.077 120.970 119.914 -0.036 0.000 2.695 156 V HA 0.154 4.274 4.120 0.000 0.000 0.230 156 V C 0.583 176.683 176.094 0.009 0.000 1.110 156 V CA 0.382 62.668 62.300 -0.024 0.000 1.159 156 V CB 0.028 31.839 31.823 -0.019 0.000 0.875 156 V HN 0.729 nan 8.190 nan 0.000 0.502 157 N N 0.623 119.333 118.700 0.017 0.000 2.844 157 N HA 0.383 5.123 4.740 0.000 0.000 0.268 157 N C 0.795 176.326 175.510 0.035 0.000 1.574 157 N CA 0.748 53.817 53.050 0.032 0.000 0.838 157 N CB 0.909 39.410 38.487 0.023 0.000 1.177 157 N HN 0.685 nan 8.380 nan 0.000 0.495 158 G N 0.859 109.691 108.800 0.052 0.000 2.153 158 G HA2 -0.306 3.654 3.960 0.000 0.000 0.252 158 G HA3 -0.306 3.654 3.960 0.000 0.000 0.252 158 G C 0.273 175.191 174.900 0.029 0.000 0.994 158 G CA 1.007 46.136 45.100 0.048 0.000 0.698 158 G HN 0.566 nan 8.290 nan 0.000 0.521 159 T N -2.819 111.749 114.554 0.023 0.000 2.918 159 T HA 0.687 5.037 4.350 0.000 0.000 0.286 159 T C -0.376 174.335 174.700 0.018 0.000 1.026 159 T CA -0.580 61.530 62.100 0.017 0.000 1.031 159 T CB 2.935 71.811 68.868 0.013 0.000 1.046 159 T HN 0.734 nan 8.240 nan 0.000 0.479 160 V N 2.570 122.501 119.914 0.027 0.000 2.276 160 V HA 0.308 4.428 4.120 0.000 0.000 0.268 160 V C -0.231 175.935 176.094 0.121 0.000 1.032 160 V CA -0.804 61.529 62.300 0.055 0.000 0.810 160 V CB 0.912 32.736 31.823 0.002 0.000 1.060 160 V HN 0.870 nan 8.190 nan 0.000 0.446 161 V N 7.330 127.308 119.914 0.108 0.000 2.385 161 V HA 0.322 4.442 4.120 0.000 0.000 0.269 161 V C -1.794 174.358 176.094 0.097 0.000 1.043 161 V CA -1.596 60.753 62.300 0.082 0.000 0.906 161 V CB 1.472 33.305 31.823 0.016 0.000 0.995 161 V HN 0.590 nan 8.190 nan 0.000 0.467 162 P HA 0.211 nan 4.420 nan 0.000 0.279 162 P C -0.258 176.864 177.300 -0.297 0.000 1.239 162 P CA -0.259 62.692 63.100 -0.248 0.000 0.789 162 P CB 1.733 33.336 31.700 -0.161 0.000 0.933 163 L N 1.437 122.389 121.223 -0.451 0.000 2.693 163 L HA 0.306 4.646 4.340 0.000 0.000 0.235 163 L C 1.542 178.197 176.870 -0.358 0.000 1.127 163 L CA 0.603 55.242 54.840 -0.335 0.000 0.914 163 L CB -1.547 40.320 42.059 -0.320 0.000 1.193 163 L HN 0.759 nan 8.230 nan 0.000 0.502 164 G N 0.793 109.318 108.800 -0.459 0.000 2.681 164 G HA2 -0.235 3.725 3.960 0.000 0.000 0.220 164 G HA3 -0.235 3.725 3.960 0.000 0.000 0.220 164 G C -0.169 174.512 174.900 -0.366 0.000 1.353 164 G CA -0.655 44.226 45.100 -0.365 0.000 0.872 164 G HN 0.261 nan 8.290 nan 0.000 0.557 165 E N 0.070 120.132 120.200 -0.231 0.000 2.366 165 E HA 0.374 4.724 4.350 0.000 0.000 0.266 165 E C 0.219 176.715 176.600 -0.173 0.000 1.015 165 E CA 0.589 56.889 56.400 -0.167 0.000 0.906 165 E CB 0.347 30.011 29.700 -0.060 0.000 0.979 165 E HN 0.386 nan 8.360 nan 0.000 0.443 166 M N 4.043 123.535 119.600 -0.180 0.000 1.956 166 M HA 0.213 4.693 4.480 0.000 0.000 0.256 166 M C -0.789 175.523 176.300 0.019 0.000 0.869 166 M CA -0.488 54.716 55.300 -0.161 0.000 0.886 166 M CB 1.193 33.511 32.600 -0.471 0.000 1.739 166 M HN 0.249 nan 8.290 nan 0.000 0.381 167 R N 0.327 120.844 120.500 0.028 0.000 2.570 167 R HA 0.516 4.856 4.340 0.000 0.000 0.277 167 R C 1.012 177.345 176.300 0.056 0.000 1.039 167 R CA 0.584 56.693 56.100 0.013 0.000 1.065 167 R CB -0.043 30.268 30.300 0.019 0.000 0.964 167 R HN 0.911 nan 8.270 nan 0.000 0.428 168 G N 1.165 109.941 108.800 -0.040 0.000 2.234 168 G HA2 -0.328 3.632 3.960 0.000 0.000 0.235 168 G HA3 -0.328 3.632 3.960 0.000 0.000 0.235 168 G C 0.401 175.175 174.900 -0.210 0.000 0.997 168 G CA 0.163 45.180 45.100 -0.138 0.000 0.623 168 G HN 0.706 nan 8.290 nan 0.000 0.514 169 Y N 1.206 121.425 120.300 -0.136 0.000 2.517 169 Y HA 0.586 5.136 4.550 -0.000 0.000 0.281 169 Y C 1.561 177.422 175.900 -0.066 0.000 1.125 169 Y CA 1.170 59.215 58.100 -0.092 0.000 1.283 169 Y CB 0.642 39.066 38.460 -0.060 0.000 1.042 169 Y HN 0.729 nan 8.280 nan 0.000 0.547 170 A N 0.032 122.865 122.820 0.021 0.000 2.589 170 A HA 0.539 4.859 4.320 0.000 0.000 0.296 170 A C -2.874 174.619 177.584 -0.152 0.000 1.062 170 A CA -1.514 50.510 52.037 -0.021 0.000 0.686 170 A CB 1.088 20.103 19.000 0.026 0.000 1.282 170 A HN -0.196 nan 8.150 nan 0.000 0.404 171 P HA 0.419 nan 4.420 nan 0.000 0.282 171 P C 0.018 177.177 177.300 -0.234 0.000 1.287 171 P CA -0.209 62.814 63.100 -0.128 0.000 0.792 171 P CB 0.531 32.230 31.700 -0.003 0.000 1.163 172 F N -1.230 118.721 119.950 0.002 0.000 2.473 172 F HA 0.122 4.649 4.527 -0.000 0.000 0.294 172 F C 1.705 177.509 175.800 0.006 0.000 1.103 172 F CA 0.781 58.781 58.000 -0.000 0.000 1.442 172 F CB 0.064 39.049 39.000 -0.025 0.000 1.097 172 F HN 0.185 nan 8.300 nan 0.000 0.547 173 S N 0.513 116.295 115.700 0.137 0.000 2.538 173 S HA 0.328 4.798 4.470 0.000 0.000 0.288 173 S C -1.810 172.730 174.600 -0.100 0.000 1.108 173 S CA -1.741 56.472 58.200 0.022 0.000 0.971 173 S CB 1.563 64.774 63.200 0.018 0.000 1.041 173 S HN -0.206 nan 8.310 nan 0.000 0.483 174 P HA -0.131 nan 4.420 nan 0.000 0.218 174 P C 0.409 177.457 177.300 -0.420 0.000 1.148 174 P CA 1.393 64.198 63.100 -0.491 0.000 0.822 174 P CB -0.347 30.643 31.700 -1.184 0.000 0.784 175 D N -1.254 118.906 120.400 -0.399 0.000 2.338 175 D HA -0.018 4.622 4.640 0.000 0.000 0.239 175 D C 0.332 176.613 176.300 -0.031 0.000 1.095 175 D CA -0.038 53.870 54.000 -0.154 0.000 0.888 175 D CB -0.579 40.171 40.800 -0.084 0.000 0.899 175 D HN 0.234 nan 8.370 nan 0.000 0.525 176 E N 0.260 120.446 120.200 -0.024 0.000 2.343 176 E HA 0.107 4.457 4.350 0.000 0.000 0.269 176 E C -0.393 176.246 176.600 0.066 0.000 1.047 176 E CA -0.701 55.720 56.400 0.035 0.000 0.874 176 E CB 0.581 30.312 29.700 0.052 0.000 1.033 176 E HN 0.062 nan 8.360 nan 0.000 0.409 177 N N 1.651 120.410 118.700 0.100 0.000 2.454 177 N HA -0.031 4.709 4.740 0.000 0.000 0.285 177 N C -1.307 174.299 175.510 0.161 0.000 1.233 177 N CA 0.250 53.388 53.050 0.146 0.000 1.036 177 N CB 0.202 38.794 38.487 0.176 0.000 1.423 177 N HN 0.183 nan 8.380 nan 0.000 0.495 178 S N 2.745 118.513 115.700 0.114 0.000 2.690 178 S HA 0.638 5.108 4.470 0.000 0.000 0.291 178 S C -0.904 173.728 174.600 0.054 0.000 1.138 178 S CA -0.806 57.431 58.200 0.061 0.000 1.013 178 S CB 1.473 64.695 63.200 0.037 0.000 1.053 178 S HN 0.494 nan 8.310 nan 0.000 0.539 179 L N 2.738 123.936 121.223 -0.042 0.000 2.795 179 L HA 0.490 4.830 4.340 0.000 0.000 0.260 179 L C -1.543 175.237 176.870 -0.150 0.000 0.935 179 L CA -0.491 54.317 54.840 -0.052 0.000 0.985 179 L CB 1.153 43.169 42.059 -0.071 0.000 1.433 179 L HN 0.640 nan 8.230 nan 0.000 0.447 180 V N 3.816 123.676 119.914 -0.091 0.000 2.709 180 V HA 0.791 4.911 4.120 0.000 0.000 0.308 180 V C -1.636 174.392 176.094 -0.110 0.000 1.062 180 V CA -0.706 61.472 62.300 -0.203 0.000 0.901 180 V CB 2.230 33.892 31.823 -0.268 0.000 1.003 180 V HN 0.696 nan 8.190 nan 0.000 0.425 181 L N 5.147 126.275 121.223 -0.158 0.000 2.362 181 L HA 0.833 5.173 4.340 0.000 0.000 0.271 181 L C -1.428 175.371 176.870 -0.118 0.000 1.002 181 L CA -0.302 54.553 54.840 0.025 0.000 0.818 181 L CB 1.934 44.096 42.059 0.172 0.000 1.298 181 L HN 0.698 nan 8.230 nan 0.000 0.420 182 F N 2.818 122.862 119.950 0.156 0.000 2.469 182 F HA 0.676 5.203 4.527 0.000 0.000 0.332 182 F C -0.250 175.650 175.800 0.167 0.000 1.103 182 F CA -0.372 57.705 58.000 0.127 0.000 0.979 182 F CB 1.911 40.963 39.000 0.088 0.000 1.137 182 F HN 0.501 nan 8.300 nan 0.000 0.463 183 E N 2.249 122.652 120.200 0.339 0.000 2.367 183 E HA 0.517 4.867 4.350 0.000 0.000 0.292 183 E C 0.158 176.890 176.600 0.219 0.000 0.900 183 E CA 0.221 56.789 56.400 0.281 0.000 0.807 183 E CB 0.961 30.846 29.700 0.308 0.000 1.337 183 E HN 0.805 nan 8.360 nan 0.000 0.394 184 G N 4.504 113.413 108.800 0.183 0.000 2.591 184 G HA2 -0.311 3.649 3.960 0.000 0.000 0.298 184 G HA3 -0.311 3.649 3.960 0.000 0.000 0.298 184 G C 0.173 175.148 174.900 0.124 0.000 1.195 184 G CA 0.326 45.506 45.100 0.133 0.000 0.989 184 G HN 0.598 nan 8.290 nan 0.000 0.551 185 D N 2.629 123.081 120.400 0.087 0.000 2.525 185 D HA 0.312 4.952 4.640 0.000 0.000 0.229 185 D C 0.277 176.588 176.300 0.019 0.000 1.202 185 D CA 0.328 54.368 54.000 0.067 0.000 0.828 185 D CB 0.306 41.130 40.800 0.040 0.000 1.008 185 D HN 0.545 nan 8.370 nan 0.000 0.493 186 E N 0.436 120.632 120.200 -0.007 0.000 2.199 186 E HA 0.422 4.772 4.350 0.000 0.000 0.269 186 E C -0.340 176.037 176.600 -0.371 0.000 0.899 186 E CA -0.924 55.353 56.400 -0.205 0.000 0.772 186 E CB 2.855 32.440 29.700 -0.192 0.000 1.155 186 E HN -0.095 nan 8.360 nan 0.000 0.408 187 V N 0.194 119.750 119.914 -0.596 0.000 2.604 187 V HA 0.621 4.741 4.120 0.000 0.000 0.305 187 V C -1.350 174.196 176.094 -0.914 0.000 1.043 187 V CA -0.694 61.156 62.300 -0.750 0.000 0.888 187 V CB 0.642 32.013 31.823 -0.754 0.000 0.995 187 V HN 0.587 nan 8.190 nan 0.000 0.429 188 Y N 2.384 122.408 120.300 -0.459 0.000 2.485 188 Y HA 0.850 5.400 4.550 -0.000 0.000 0.345 188 Y C 0.498 176.002 175.900 -0.659 0.000 0.998 188 Y CA -0.440 57.355 58.100 -0.507 0.000 1.059 188 Y CB 2.371 40.604 38.460 -0.379 0.000 1.234 188 Y HN 0.951 nan 8.280 nan 0.000 0.461 189 S N -0.515 114.806 115.700 -0.632 0.000 2.550 189 S HA 0.410 4.880 4.470 0.000 0.000 0.270 189 S C -0.030 174.191 174.600 -0.632 0.000 1.145 189 S CA -0.192 57.663 58.200 -0.576 0.000 0.852 189 S CB 1.111 64.019 63.200 -0.487 0.000 1.119 189 S HN 0.792 nan 8.310 nan 0.000 0.465 190 T N 0.764 114.989 114.554 -0.548 0.000 3.054 190 T HA 0.428 4.778 4.350 0.000 0.000 0.255 190 T C 0.425 174.963 174.700 -0.270 0.000 1.035 190 T CA -0.081 61.672 62.100 -0.579 0.000 0.941 190 T CB -0.573 67.683 68.868 -1.019 0.000 1.026 190 T HN 0.503 nan 8.240 nan 0.000 0.533 191 I N 3.235 123.675 120.570 -0.217 0.000 2.371 191 I HA 0.376 4.546 4.170 0.000 0.000 0.290 191 I C 0.039 176.116 176.117 -0.068 0.000 1.028 191 I CA -1.141 60.096 61.300 -0.104 0.000 1.345 191 I CB 0.826 38.756 38.000 -0.117 0.000 1.407 191 I HN 0.039 nan 8.210 nan 0.000 0.501 192 R N 5.461 125.972 120.500 0.018 0.000 2.679 192 R HA 0.074 4.414 4.340 0.000 0.000 0.268 192 R C 0.458 176.810 176.300 0.087 0.000 1.044 192 R CA -0.108 56.014 56.100 0.037 0.000 1.105 192 R CB 0.033 30.369 30.300 0.062 0.000 0.989 192 R HN 0.487 nan 8.270 nan 0.000 0.447 193 K N 1.171 121.586 120.400 0.024 0.000 2.400 193 K HA -0.049 4.271 4.320 0.000 0.000 0.194 193 K C 0.080 176.767 176.600 0.145 0.000 1.033 193 K CA 0.605 56.918 56.287 0.043 0.000 1.021 193 K CB 0.171 32.655 32.500 -0.027 0.000 0.808 193 K HN 0.696 nan 8.250 nan 0.000 0.505 194 Q N -0.564 119.282 119.800 0.076 0.000 2.379 194 Q HA 0.223 4.563 4.340 0.000 0.000 0.278 194 Q C -0.170 175.616 176.000 -0.356 0.000 1.068 194 Q CA -0.572 55.196 55.803 -0.058 0.000 0.816 194 Q CB 1.702 30.192 28.738 -0.414 0.000 1.387 194 Q HN -0.030 nan 8.270 nan 0.000 0.413 195 E N 1.377 121.165 120.200 -0.686 0.000 2.208 195 E HA -0.158 4.192 4.350 0.000 0.000 0.193 195 E C 0.374 176.750 176.600 -0.373 0.000 0.988 195 E CA 1.167 57.009 56.400 -0.929 0.000 0.828 195 E CB 0.063 29.108 29.700 -1.091 0.000 0.763 195 E HN 0.716 nan 8.360 nan 0.000 0.478 196 Y N -0.086 120.061 120.300 -0.255 0.000 2.596 196 Y HA 0.351 4.901 4.550 -0.000 0.000 0.316 196 Y C 0.262 176.096 175.900 -0.110 0.000 1.156 196 Y CA -0.946 57.062 58.100 -0.154 0.000 1.300 196 Y CB -0.798 37.595 38.460 -0.112 0.000 1.130 196 Y HN -0.185 nan 8.280 nan 0.000 0.518 197 N N 1.420 119.879 118.700 -0.402 0.000 2.424 197 N HA 0.182 4.922 4.740 0.000 0.000 0.257 197 N C 0.748 176.172 175.510 -0.145 0.000 1.250 197 N CA 0.663 53.520 53.050 -0.322 0.000 0.946 197 N CB 1.169 39.493 38.487 -0.272 0.000 1.175 197 N HN 0.588 nan 8.380 nan 0.000 0.477 198 G N 0.415 109.152 108.800 -0.105 0.000 2.647 198 G HA2 -0.017 3.943 3.960 0.000 0.000 0.271 198 G HA3 -0.017 3.943 3.960 0.000 0.000 0.271 198 G C 0.494 175.375 174.900 -0.032 0.000 1.300 198 G CA -0.162 44.907 45.100 -0.050 0.000 0.997 198 G HN 0.730 nan 8.290 nan 0.000 0.533 199 K N -0.815 119.578 120.400 -0.011 0.000 2.577 199 K HA 0.270 4.590 4.320 0.000 0.000 0.210 199 K C -0.568 176.042 176.600 0.018 0.000 1.048 199 K CA -0.285 56.004 56.287 0.003 0.000 1.188 199 K CB 0.114 32.618 32.500 0.006 0.000 0.910 199 K HN 0.132 nan 8.250 nan 0.000 0.483 200 I N 2.701 123.282 120.570 0.018 0.000 2.390 200 I HA 0.252 4.422 4.170 0.000 0.000 0.283 200 I C -2.473 173.683 176.117 0.065 0.000 1.016 200 I CA -2.485 58.838 61.300 0.039 0.000 1.151 200 I CB 1.304 39.324 38.000 0.034 0.000 1.293 200 I HN 0.016 nan 8.210 nan 0.000 0.458 201 P HA 0.439 nan 4.420 nan 0.000 0.271 201 P C -0.642 176.785 177.300 0.213 0.000 1.216 201 P CA -0.464 62.745 63.100 0.183 0.000 0.776 201 P CB 0.696 32.563 31.700 0.279 0.000 0.881 202 R N 1.193 121.792 120.500 0.164 0.000 2.808 202 R HA 0.532 4.872 4.340 0.000 0.000 0.272 202 R C -1.244 175.072 176.300 0.027 0.000 0.995 202 R CA -0.801 55.395 56.100 0.161 0.000 0.917 202 R CB 1.623 32.017 30.300 0.157 0.000 1.217 202 R HN 0.365 nan 8.270 nan 0.000 0.471 203 F N 2.516 122.440 119.950 -0.043 0.000 2.361 203 F HA 0.447 4.974 4.527 -0.000 0.000 0.364 203 F C -0.398 175.508 175.800 0.176 0.000 1.120 203 F CA -0.387 57.487 58.000 -0.210 0.000 1.102 203 F CB 0.627 39.372 39.000 -0.426 0.000 1.183 203 F HN 0.238 nan 8.300 nan 0.000 0.476 204 R N 4.344 124.663 120.500 -0.302 0.000 2.778 204 R HA 0.463 4.803 4.340 0.000 0.000 0.277 204 R C -0.839 175.421 176.300 -0.067 0.000 0.977 204 R CA -1.260 54.849 56.100 0.015 0.000 0.950 204 R CB 2.076 32.340 30.300 -0.059 0.000 1.165 204 R HN 0.572 nan 8.270 nan 0.000 0.474 205 R N 3.002 123.563 120.500 0.101 0.000 2.198 205 R HA 0.168 4.508 4.340 0.000 0.000 0.339 205 R C 0.373 176.541 176.300 -0.220 0.000 1.020 205 R CA -0.324 55.749 56.100 -0.045 0.000 0.864 205 R CB 0.571 30.861 30.300 -0.018 0.000 1.105 205 R HN 0.602 nan 8.270 nan 0.000 0.463 206 I N 2.872 123.243 120.570 -0.333 0.000 2.852 206 I HA 0.061 4.231 4.170 0.000 0.000 0.264 206 I C 0.869 176.857 176.117 -0.215 0.000 1.179 206 I CA 0.770 61.905 61.300 -0.275 0.000 1.480 206 I CB -0.596 37.178 38.000 -0.376 0.000 1.111 206 I HN 0.577 nan 8.210 nan 0.000 0.441 207 R N 0.422 120.757 120.500 -0.275 0.000 2.533 207 R HA 0.547 4.887 4.340 0.000 0.000 0.288 207 R C -0.618 175.560 176.300 -0.204 0.000 1.039 207 R CA -0.037 55.956 56.100 -0.177 0.000 0.909 207 R CB 1.982 32.219 30.300 -0.106 0.000 1.195 207 R HN 0.214 nan 8.270 nan 0.000 0.438 208 G N 2.028 110.749 108.800 -0.131 0.000 2.344 208 G HA2 -0.040 3.920 3.960 0.000 0.000 0.282 208 G HA3 -0.040 3.920 3.960 0.000 0.000 0.282 208 G C -0.246 174.608 174.900 -0.077 0.000 1.281 208 G CA -0.513 44.525 45.100 -0.104 0.000 0.877 208 G HN 0.530 nan 8.290 nan 0.000 0.494 209 E N -0.406 119.758 120.200 -0.061 0.000 2.070 209 E HA 0.018 4.368 4.350 0.000 0.000 0.197 209 E C 1.290 177.846 176.600 -0.074 0.000 1.004 209 E CA 1.812 58.179 56.400 -0.055 0.000 0.805 209 E CB -0.120 29.553 29.700 -0.044 0.000 0.744 209 E HN 0.667 nan 8.360 nan 0.000 0.451 210 S N -0.636 115.002 115.700 -0.102 0.000 2.607 210 S HA 0.326 4.796 4.470 0.000 0.000 0.273 210 S C -1.019 173.486 174.600 -0.158 0.000 1.148 210 S CA -1.115 57.015 58.200 -0.117 0.000 0.833 210 S CB 1.971 65.099 63.200 -0.121 0.000 1.130 210 S HN -0.020 nan 8.310 nan 0.000 0.470 211 E N 0.733 120.849 120.200 -0.140 0.000 2.289 211 E HA 0.459 4.809 4.350 0.000 0.000 0.278 211 E C -0.983 175.492 176.600 -0.207 0.000 1.032 211 E CA -0.286 56.025 56.400 -0.150 0.000 0.854 211 E CB 0.902 30.551 29.700 -0.084 0.000 1.046 211 E HN 0.436 nan 8.360 nan 0.000 0.409 212 L N 3.840 124.853 121.223 -0.349 0.000 2.381 212 L HA 0.515 4.855 4.340 0.000 0.000 0.268 212 L C -0.883 175.769 176.870 -0.365 0.000 0.997 212 L CA -1.186 53.270 54.840 -0.639 0.000 0.818 212 L CB 1.045 42.209 42.059 -1.491 0.000 1.310 212 L HN 0.576 nan 8.230 nan 0.000 0.416 213 Y N -0.650 119.497 120.300 -0.255 0.000 2.545 213 Y HA 0.701 5.251 4.550 -0.000 0.000 0.348 213 Y C -0.049 176.056 175.900 0.342 0.000 1.002 213 Y CA -1.227 56.936 58.100 0.104 0.000 1.039 213 Y CB 1.069 39.542 38.460 0.022 0.000 1.271 213 Y HN 0.571 nan 8.280 nan 0.000 0.467 214 T N -0.094 114.776 114.554 0.526 0.000 2.913 214 T HA 0.418 4.768 4.350 0.000 0.000 0.297 214 T C 0.445 175.262 174.700 0.196 0.000 1.029 214 T CA -0.357 61.936 62.100 0.322 0.000 1.104 214 T CB 0.938 69.918 68.868 0.186 0.000 0.964 214 T HN 0.971 nan 8.240 nan 0.000 0.532 215 S N 1.388 117.132 115.700 0.072 0.000 2.617 215 S HA 0.122 4.592 4.470 0.000 0.000 0.259 215 S C 0.554 175.195 174.600 0.068 0.000 1.301 215 S CA -0.522 57.744 58.200 0.109 0.000 0.984 215 S CB 0.285 63.545 63.200 0.100 0.000 0.954 215 S HN 0.665 nan 8.310 nan 0.000 0.572 216 D N 0.656 121.104 120.400 0.079 0.000 2.264 216 D HA -0.010 4.630 4.640 0.000 0.000 0.208 216 D C 2.000 178.297 176.300 -0.005 0.000 0.966 216 D CA 1.734 55.759 54.000 0.042 0.000 0.864 216 D CB -0.606 40.221 40.800 0.046 0.000 0.933 216 D HN 0.841 nan 8.370 nan 0.000 0.499 217 T N -1.917 112.616 114.554 -0.035 0.000 3.067 217 T HA -0.023 4.327 4.350 0.000 0.000 0.257 217 T C 2.037 176.676 174.700 -0.102 0.000 1.105 217 T CA 0.676 62.737 62.100 -0.065 0.000 1.104 217 T CB -0.335 68.482 68.868 -0.084 0.000 0.925 217 T HN 0.101 nan 8.240 nan 0.000 0.498 218 V N -1.505 118.290 119.914 -0.199 0.000 2.871 218 V HA 0.390 4.510 4.120 0.000 0.000 0.256 218 V C 0.726 176.726 176.094 -0.158 0.000 1.082 218 V CA 0.336 62.423 62.300 -0.354 0.000 1.105 218 V CB -0.932 30.216 31.823 -1.125 0.000 0.713 218 V HN 0.467 nan 8.190 nan 0.000 0.473 219 M N 0.336 119.900 119.600 -0.060 0.000 2.531 219 M HA 0.600 5.080 4.480 0.000 0.000 0.286 219 M C -1.627 174.714 176.300 0.067 0.000 1.232 219 M CA -0.482 54.864 55.300 0.078 0.000 0.877 219 M CB 2.677 35.321 32.600 0.072 0.000 1.726 219 M HN -0.030 nan 8.290 nan 0.000 0.463 220 Q N 2.351 122.211 119.800 0.099 0.000 2.454 220 Q HA 0.402 4.742 4.340 0.000 0.000 0.255 220 Q C -1.065 174.971 176.000 0.060 0.000 1.034 220 Q CA -0.288 55.553 55.803 0.062 0.000 0.736 220 Q CB 0.690 29.458 28.738 0.051 0.000 1.210 220 Q HN 0.608 nan 8.270 nan 0.000 0.500 221 N N 1.530 120.255 118.700 0.042 0.000 2.681 221 N HA -0.121 4.619 4.740 0.000 0.000 0.259 221 N C -2.577 172.940 175.510 0.013 0.000 1.066 221 N CA 0.412 53.478 53.050 0.027 0.000 0.717 221 N CB -0.815 37.688 38.487 0.027 0.000 0.885 221 N HN 0.430 nan 8.380 nan 0.000 0.547 222 P HA 0.089 nan 4.420 nan 0.000 0.275 222 P C -0.606 176.496 177.300 -0.330 0.000 1.228 222 P CA 0.187 63.199 63.100 -0.146 0.000 0.786 222 P CB 0.940 32.387 31.700 -0.421 0.000 0.927 223 Q N 2.071 121.744 119.800 -0.211 0.000 2.394 223 Q HA 0.347 4.687 4.340 0.000 0.000 0.261 223 Q C -0.747 175.220 176.000 -0.055 0.000 1.023 223 Q CA -0.546 55.183 55.803 -0.122 0.000 0.720 223 Q CB 0.823 29.575 28.738 0.023 0.000 1.241 223 Q HN 0.377 nan 8.270 nan 0.000 0.483 224 F N 1.565 121.645 119.950 0.217 0.000 2.471 224 F HA 0.083 4.610 4.527 -0.000 0.000 0.353 224 F C 1.080 177.017 175.800 0.228 0.000 1.113 224 F CA 0.004 58.147 58.000 0.238 0.000 1.262 224 F CB 0.394 39.461 39.000 0.112 0.000 1.146 224 F HN 0.490 nan 8.300 nan 0.000 0.578 225 I N 0.771 121.615 120.570 0.456 0.000 3.366 225 I HA 0.195 4.365 4.170 0.000 0.000 0.267 225 I C -0.050 176.258 176.117 0.318 0.000 1.149 225 I CA 0.402 61.896 61.300 0.324 0.000 1.436 225 I CB 0.102 38.263 38.000 0.267 0.000 1.379 225 I HN 0.500 nan 8.210 nan 0.000 0.460 226 K N -0.213 120.437 120.400 0.416 0.000 2.587 226 K HA 0.759 5.079 4.320 0.000 0.000 0.276 226 K C -1.948 174.940 176.600 0.481 0.000 0.956 226 K CA -0.595 55.914 56.287 0.370 0.000 0.857 226 K CB 1.911 34.567 32.500 0.261 0.000 1.431 226 K HN 0.017 nan 8.250 nan 0.000 0.420 227 A N 1.048 124.077 122.820 0.349 0.000 2.454 227 A HA 0.824 5.144 4.320 0.000 0.000 0.302 227 A C -1.206 176.518 177.584 0.233 0.000 1.079 227 A CA -0.507 51.718 52.037 0.314 0.000 0.731 227 A CB 2.168 21.310 19.000 0.236 0.000 1.299 227 A HN 0.560 nan 8.150 nan 0.000 0.413 228 T N 0.854 115.514 114.554 0.176 0.000 2.889 228 T HA 0.508 4.858 4.350 0.000 0.000 0.315 228 T C -1.329 173.338 174.700 -0.055 0.000 1.291 228 T CA -0.477 61.677 62.100 0.090 0.000 1.028 228 T CB 0.617 69.565 68.868 0.133 0.000 1.235 228 T HN 0.515 nan 8.240 nan 0.000 0.491 229 I N 3.612 124.115 120.570 -0.112 0.000 2.472 229 I HA 0.485 4.655 4.170 0.000 0.000 0.290 229 I C 0.284 176.166 176.117 -0.392 0.000 1.016 229 I CA -0.636 60.498 61.300 -0.276 0.000 1.348 229 I CB 1.300 39.140 38.000 -0.266 0.000 1.417 229 I HN 0.483 nan 8.210 nan 0.000 0.521 230 V N 6.654 126.243 119.914 -0.542 0.000 2.409 230 V HA 0.400 4.520 4.120 0.000 0.000 0.290 230 V C -0.459 175.262 176.094 -0.621 0.000 1.017 230 V CA -0.532 61.442 62.300 -0.544 0.000 0.841 230 V CB 1.176 32.601 31.823 -0.663 0.000 1.003 230 V HN 0.646 nan 8.190 nan 0.000 0.426 231 H N 6.389 125.277 119.070 -0.304 0.000 2.864 231 H HA 0.401 4.957 4.556 -0.000 0.000 0.281 231 H C 0.150 175.094 175.328 -0.640 0.000 1.093 231 H CA -0.004 55.845 56.048 -0.332 0.000 1.453 231 H CB 0.916 30.587 29.762 -0.152 0.000 1.462 231 H HN 0.753 nan 8.280 nan 0.000 0.480 232 Q N 2.051 121.411 119.800 -0.733 0.000 2.394 232 Q HA 0.053 4.393 4.340 0.000 0.000 0.166 232 Q C 0.766 176.505 176.000 -0.435 0.000 1.037 232 Q CA -0.870 54.196 55.803 -1.228 0.000 1.023 232 Q CB 0.841 28.924 28.738 -1.092 0.000 2.067 232 Q HN 0.523 nan 8.270 nan 0.000 0.502 233 D N 0.514 120.834 120.400 -0.134 0.000 2.084 233 D HA -0.119 4.521 4.640 0.000 0.000 0.194 233 D C 0.186 176.461 176.300 -0.042 0.000 0.990 233 D CA 1.555 55.583 54.000 0.046 0.000 0.826 233 D CB 0.133 41.008 40.800 0.123 0.000 0.971 233 D HN 0.317 nan 8.370 nan 0.000 0.453 234 Q N -0.796 118.915 119.800 -0.148 0.000 2.266 234 Q HA 0.561 4.901 4.340 0.000 0.000 0.261 234 Q C 0.664 176.557 176.000 -0.178 0.000 0.985 234 Q CA -0.495 55.216 55.803 -0.152 0.000 0.873 234 Q CB 2.111 30.682 28.738 -0.278 0.000 1.306 234 Q HN 0.004 nan 8.270 nan 0.000 0.447 235 A N 1.805 124.606 122.820 -0.032 0.000 1.917 235 A HA -0.244 4.076 4.320 0.000 0.000 0.219 235 A C 1.617 179.217 177.584 0.026 0.000 1.182 235 A CA 1.923 53.971 52.037 0.018 0.000 0.633 235 A CB -0.865 18.181 19.000 0.077 0.000 0.819 235 A HN 0.892 nan 8.150 nan 0.000 0.448 236 Y N -1.532 118.768 120.300 -0.001 0.000 2.632 236 Y HA 0.134 4.684 4.550 0.000 0.000 0.301 236 Y C 0.813 176.702 175.900 -0.020 0.000 1.172 236 Y CA 0.601 58.701 58.100 -0.001 0.000 1.328 236 Y CB -0.274 38.190 38.460 0.006 0.000 1.016 236 Y HN 0.202 nan 8.280 nan 0.000 0.529 237 D N 0.140 120.288 120.400 -0.421 0.000 2.369 237 D HA 0.015 4.655 4.640 0.000 0.000 0.211 237 D C -0.437 175.695 176.300 -0.279 0.000 1.077 237 D CA 0.126 53.899 54.000 -0.379 0.000 0.842 237 D CB -0.051 40.463 40.800 -0.477 0.000 0.947 237 D HN 0.364 nan 8.370 nan 0.000 0.509 238 D N 1.704 121.976 120.400 -0.215 0.000 2.506 238 D HA 0.001 4.641 4.640 0.000 0.000 0.234 238 D C 0.549 176.700 176.300 -0.248 0.000 1.143 238 D CA 0.805 54.662 54.000 -0.238 0.000 0.871 238 D CB 0.824 41.554 40.800 -0.117 0.000 1.190 238 D HN -0.181 nan 8.370 nan 0.000 0.459 239 K N 1.604 121.783 120.400 -0.368 0.000 2.395 239 K HA 0.564 4.884 4.320 0.000 0.000 0.247 239 K C -0.312 176.047 176.600 -0.401 0.000 0.973 239 K CA -0.780 55.293 56.287 -0.356 0.000 0.828 239 K CB 1.976 34.227 32.500 -0.416 0.000 1.272 239 K HN 0.335 nan 8.250 nan 0.000 0.439 240 I N 1.994 122.364 120.570 -0.334 0.000 2.378 240 I HA 0.353 4.523 4.170 0.000 0.000 0.291 240 I C -0.583 175.414 176.117 -0.199 0.000 0.992 240 I CA -0.791 60.307 61.300 -0.337 0.000 1.154 240 I CB 0.978 38.707 38.000 -0.451 0.000 1.315 240 I HN 0.345 nan 8.210 nan 0.000 0.448 241 Y N 5.707 125.822 120.300 -0.309 0.000 2.429 241 Y HA 0.536 5.086 4.550 -0.000 0.000 0.342 241 Y C -0.773 174.960 175.900 -0.277 0.000 1.004 241 Y CA -1.181 56.693 58.100 -0.377 0.000 1.075 241 Y CB 2.423 40.739 38.460 -0.240 0.000 1.214 241 Y HN 0.518 nan 8.280 nan 0.000 0.455 242 Y N -0.044 120.016 120.300 -0.401 0.000 2.544 242 Y HA 0.698 5.248 4.550 -0.000 0.000 0.342 242 Y C -2.240 173.473 175.900 -0.310 0.000 1.062 242 Y CA -2.283 55.680 58.100 -0.229 0.000 1.023 242 Y CB 0.939 39.255 38.460 -0.240 0.000 1.308 242 Y HN 0.313 nan 8.280 nan 0.000 0.457 243 F N 3.844 124.065 119.950 0.453 0.000 2.492 243 F HA 0.835 5.362 4.527 0.000 0.000 0.327 243 F C -0.393 175.774 175.800 0.612 0.000 1.079 243 F CA -1.269 56.967 58.000 0.392 0.000 0.967 243 F CB 1.719 40.826 39.000 0.178 0.000 1.169 243 F HN 0.662 nan 8.300 nan 0.000 0.472 244 F N -1.205 118.897 119.950 0.253 0.000 2.858 244 F HA 0.723 5.250 4.527 0.000 0.000 0.319 244 F C -1.617 174.220 175.800 0.060 0.000 1.166 244 F CA -1.626 56.460 58.000 0.142 0.000 0.899 244 F CB 1.440 40.483 39.000 0.071 0.000 1.332 244 F HN 0.296 nan 8.300 nan 0.000 0.461 245 R N 0.929 121.462 120.500 0.056 0.000 2.732 245 R HA 0.697 5.037 4.340 0.000 0.000 0.278 245 R C -1.244 175.071 176.300 0.025 0.000 0.976 245 R CA -0.863 55.204 56.100 -0.056 0.000 0.963 245 R CB 2.458 32.767 30.300 0.015 0.000 1.150 245 R HN 0.908 nan 8.270 nan 0.000 0.478 246 E N 0.006 120.195 120.200 -0.019 0.000 2.456 246 E HA 0.266 4.616 4.350 0.000 0.000 0.278 246 E C -1.417 175.198 176.600 0.025 0.000 1.034 246 E CA -1.059 55.376 56.400 0.057 0.000 0.846 246 E CB 0.780 30.576 29.700 0.161 0.000 1.460 246 E HN 0.197 nan 8.360 nan 0.000 0.463 247 D N 0.997 121.420 120.400 0.037 0.000 2.399 247 D HA 0.070 4.710 4.640 0.000 0.000 0.241 247 D C -0.377 175.934 176.300 0.018 0.000 1.133 247 D CA -0.053 53.960 54.000 0.023 0.000 0.890 247 D CB 0.418 41.232 40.800 0.024 0.000 1.201 247 D HN 0.318 nan 8.370 nan 0.000 0.432 248 N N 1.953 120.659 118.700 0.010 0.000 2.442 248 N HA 0.063 4.803 4.740 0.000 0.000 0.265 248 N C -1.639 173.879 175.510 0.013 0.000 1.138 248 N CA -1.680 51.374 53.050 0.008 0.000 0.956 248 N CB 1.216 39.706 38.487 0.004 0.000 1.067 248 N HN 0.082 nan 8.380 nan 0.000 0.474 249 P HA -0.100 nan 4.420 nan 0.000 0.220 249 P C -0.074 177.236 177.300 0.016 0.000 1.148 249 P CA 0.682 63.794 63.100 0.020 0.000 0.803 249 P CB 0.207 31.923 31.700 0.026 0.000 0.782 250 D N 0.976 121.384 120.400 0.014 0.000 2.346 250 D HA 0.002 4.642 4.640 0.000 0.000 0.260 250 D C 0.810 177.115 176.300 0.008 0.000 1.252 250 D CA 0.067 54.075 54.000 0.012 0.000 0.895 250 D CB 0.597 41.402 40.800 0.009 0.000 1.097 250 D HN -0.179 nan 8.370 nan 0.000 0.489 251 K N 2.595 123.000 120.400 0.007 0.000 2.387 251 K HA 0.112 4.432 4.320 0.000 0.000 0.198 251 K C 0.107 176.708 176.600 0.001 0.000 1.022 251 K CA -0.387 55.903 56.287 0.004 0.000 1.128 251 K CB -0.164 32.338 32.500 0.005 0.000 0.853 251 K HN 0.371 nan 8.250 nan 0.000 0.523 252 N N 2.561 121.262 118.700 0.002 0.000 2.454 252 N HA -0.023 4.717 4.740 0.000 0.000 0.254 252 N C -1.466 174.042 175.510 -0.004 0.000 1.228 252 N CA -0.876 52.173 53.050 -0.000 0.000 0.900 252 N CB 0.636 39.123 38.487 0.001 0.000 1.089 252 N HN -0.026 nan 8.380 nan 0.000 0.449 253 P HA -0.160 nan 4.420 nan 0.000 0.218 253 P C 0.216 177.509 177.300 -0.011 0.000 1.146 253 P CA 1.518 64.613 63.100 -0.009 0.000 0.813 253 P CB 0.335 32.029 31.700 -0.009 0.000 0.778 254 E N -0.120 120.075 120.200 -0.008 0.000 2.478 254 E HA 0.267 4.617 4.350 0.000 0.000 0.194 254 E C 1.008 177.603 176.600 -0.008 0.000 1.045 254 E CA -0.045 56.350 56.400 -0.008 0.000 0.868 254 E CB -0.671 29.026 29.700 -0.005 0.000 0.885 254 E HN 0.191 nan 8.360 nan 0.000 0.505 255 A N 2.823 125.639 122.820 -0.008 0.000 2.388 255 A HA 0.371 4.691 4.320 0.000 0.000 0.257 255 A C -2.008 175.570 177.584 -0.011 0.000 1.095 255 A CA -1.335 50.698 52.037 -0.007 0.000 0.791 255 A CB -0.104 18.894 19.000 -0.003 0.000 1.029 255 A HN 0.022 nan 8.150 nan 0.000 0.489 256 P HA 0.141 nan 4.420 nan 0.000 0.275 256 P C 0.501 177.796 177.300 -0.009 0.000 1.228 256 P CA -0.511 62.581 63.100 -0.012 0.000 0.786 256 P CB 0.744 32.442 31.700 -0.004 0.000 0.927 257 L N 1.895 123.110 121.223 -0.013 0.000 2.042 257 L HA -0.114 4.226 4.340 0.000 0.000 0.210 257 L C 0.819 177.689 176.870 0.001 0.000 1.076 257 L CA 1.880 56.715 54.840 -0.008 0.000 0.749 257 L CB -1.489 40.561 42.059 -0.014 0.000 0.893 257 L HN 0.536 nan 8.230 nan 0.000 0.432 258 N N -2.812 115.891 118.700 0.005 0.000 2.381 258 N HA 0.591 5.331 4.740 0.000 0.000 0.294 258 N C -1.110 174.407 175.510 0.011 0.000 1.216 258 N CA -0.582 52.474 53.050 0.009 0.000 0.803 258 N CB 2.633 41.129 38.487 0.016 0.000 1.372 258 N HN -0.192 nan 8.380 nan 0.000 0.500 259 V N -0.622 119.288 119.914 -0.006 0.000 3.130 259 V HA 0.657 4.777 4.120 0.000 0.000 0.310 259 V C -1.026 175.035 176.094 -0.055 0.000 1.158 259 V CA -0.500 61.793 62.300 -0.011 0.000 1.029 259 V CB 2.298 34.106 31.823 -0.024 0.000 1.057 259 V HN 0.771 nan 8.190 nan 0.000 0.436 260 S N 4.659 120.347 115.700 -0.021 0.000 2.489 260 S HA 0.768 5.238 4.470 0.000 0.000 0.291 260 S C -0.680 173.805 174.600 -0.191 0.000 1.151 260 S CA -0.781 57.386 58.200 -0.056 0.000 1.082 260 S CB 1.000 64.306 63.200 0.177 0.000 1.019 260 S HN 0.651 nan 8.310 nan 0.000 0.492 261 R N 0.836 121.084 120.500 -0.420 0.000 2.836 261 R HA 0.680 5.021 4.340 0.000 0.000 0.269 261 R C -1.407 174.641 176.300 -0.420 0.000 1.010 261 R CA -0.779 54.987 56.100 -0.557 0.000 0.930 261 R CB 1.615 31.226 30.300 -1.149 0.000 1.218 261 R HN 0.457 nan 8.270 nan 0.000 0.473 262 V N 0.249 119.941 119.914 -0.371 0.000 2.709 262 V HA 0.835 4.955 4.120 0.000 0.000 0.308 262 V C -1.117 174.730 176.094 -0.412 0.000 1.062 262 V CA -0.485 61.491 62.300 -0.539 0.000 0.901 262 V CB 1.722 33.160 31.823 -0.642 0.000 1.003 262 V HN 0.951 nan 8.190 nan 0.000 0.425 263 A N 5.451 127.858 122.820 -0.689 0.000 2.384 263 A HA 0.963 5.283 4.320 0.000 0.000 0.312 263 A C -0.878 176.025 177.584 -1.136 0.000 1.113 263 A CA -0.679 50.755 52.037 -1.006 0.000 0.779 263 A CB 1.992 20.108 19.000 -1.474 0.000 1.307 263 A HN 1.205 nan 8.150 nan 0.000 0.436 264 Q N 0.325 119.346 119.800 -1.297 0.000 2.372 264 Q HA 0.840 5.180 4.340 0.000 0.000 0.273 264 Q C -1.787 173.737 176.000 -0.794 0.000 1.078 264 Q CA -0.557 54.692 55.803 -0.922 0.000 0.806 264 Q CB 1.798 29.845 28.738 -1.152 0.000 1.332 264 Q HN 0.552 nan 8.270 nan 0.000 0.435 265 L N 0.937 121.837 121.223 -0.540 0.000 2.409 265 L HA 0.613 4.953 4.340 0.000 0.000 0.262 265 L C -0.970 175.750 176.870 -0.250 0.000 0.992 265 L CA -1.201 53.369 54.840 -0.450 0.000 0.817 265 L CB 2.610 44.190 42.059 -0.799 0.000 1.350 265 L HN 0.823 nan 8.230 nan 0.000 0.411 266 c N 1.858 120.416 118.600 -0.071 0.000 2.394 266 c HA 0.198 4.768 4.570 0.000 0.000 0.362 266 c C 1.924 176.084 174.090 0.118 0.000 1.268 266 c CA -0.507 55.823 56.329 0.003 0.000 1.828 266 c CB 0.623 43.169 42.510 0.059 0.000 2.442 266 c HN 0.801 nan 8.230 nan 0.000 0.549 267 R N 2.438 122.969 120.500 0.051 0.000 2.117 267 R HA -0.120 4.220 4.340 0.000 0.000 0.243 267 R C 1.857 178.287 176.300 0.217 0.000 1.143 267 R CA 1.901 58.087 56.100 0.144 0.000 0.968 267 R CB -0.538 29.795 30.300 0.054 0.000 0.863 267 R HN 0.930 nan 8.270 nan 0.000 0.444 268 G N 0.695 109.587 108.800 0.153 0.000 3.327 268 G HA2 -0.097 3.863 3.960 0.000 0.000 0.240 268 G HA3 -0.097 3.863 3.960 0.000 0.000 0.240 268 G C -0.202 174.774 174.900 0.126 0.000 1.222 268 G CA -0.393 44.790 45.100 0.138 0.000 0.871 268 G HN 0.196 nan 8.290 nan 0.000 0.525 269 D N 0.347 120.855 120.400 0.181 0.000 2.487 269 D HA 0.028 4.668 4.640 0.000 0.000 0.243 269 D C 1.291 177.600 176.300 0.015 0.000 1.154 269 D CA 0.029 54.115 54.000 0.142 0.000 0.876 269 D CB 0.966 41.958 40.800 0.319 0.000 1.161 269 D HN 0.092 nan 8.370 nan 0.000 0.478 270 Q N 2.304 122.092 119.800 -0.020 0.000 2.165 270 Q HA 0.213 4.553 4.340 0.000 0.000 0.197 270 Q C 1.133 177.053 176.000 -0.133 0.000 0.952 270 Q CA 0.909 56.670 55.803 -0.069 0.000 0.848 270 Q CB 0.276 28.984 28.738 -0.050 0.000 0.931 270 Q HN 0.752 nan 8.270 nan 0.000 0.470 271 G N -1.050 107.661 108.800 -0.148 0.000 2.315 271 G HA2 0.198 4.159 3.960 0.000 0.000 0.296 271 G HA3 0.198 4.159 3.960 0.000 0.000 0.296 271 G C -0.441 174.321 174.900 -0.230 0.000 1.289 271 G CA -0.607 44.356 45.100 -0.228 0.000 0.996 271 G HN 0.389 nan 8.290 nan 0.000 0.487 272 G N -1.471 107.144 108.800 -0.309 0.000 2.532 272 G HA2 0.582 4.542 3.960 0.000 0.000 0.291 272 G HA3 0.582 4.542 3.960 0.000 0.000 0.291 272 G C 0.514 175.319 174.900 -0.159 0.000 1.349 272 G CA 0.534 45.453 45.100 -0.301 0.000 1.038 272 G HN 0.662 nan 8.290 nan 0.000 0.518 273 E N -0.955 119.183 120.200 -0.102 0.000 2.276 273 E HA 0.038 4.388 4.350 0.000 0.000 0.193 273 E C 1.427 178.006 176.600 -0.035 0.000 0.983 273 E CA 0.465 56.836 56.400 -0.048 0.000 0.861 273 E CB 0.298 29.991 29.700 -0.011 0.000 0.817 273 E HN 0.402 nan 8.360 nan 0.000 0.485 274 S N 0.204 115.885 115.700 -0.032 0.000 2.672 274 S HA 0.126 4.596 4.470 0.000 0.000 0.276 274 S C 1.356 175.942 174.600 -0.023 0.000 1.207 274 S CA -0.144 58.050 58.200 -0.009 0.000 1.002 274 S CB 1.743 64.959 63.200 0.027 0.000 0.998 274 S HN 0.089 nan 8.310 nan 0.000 0.542 275 S N 1.575 117.271 115.700 -0.007 0.000 2.400 275 S HA -0.117 4.353 4.470 0.000 0.000 0.232 275 S C 1.677 176.277 174.600 -0.000 0.000 1.025 275 S CA 1.149 59.345 58.200 -0.007 0.000 0.993 275 S CB -0.993 62.209 63.200 0.002 0.000 0.808 275 S HN 0.682 nan 8.310 nan 0.000 0.478 276 L N 1.731 122.964 121.223 0.016 0.000 2.240 276 L HA 0.084 4.424 4.340 0.000 0.000 0.211 276 L C 2.640 179.516 176.870 0.010 0.000 1.106 276 L CA 1.152 56.015 54.840 0.038 0.000 0.793 276 L CB -0.383 41.717 42.059 0.068 0.000 0.927 276 L HN 0.578 nan 8.230 nan 0.000 0.446 277 S N -1.977 113.687 115.700 -0.060 0.000 2.540 277 S HA 0.057 4.527 4.470 0.000 0.000 0.218 277 S C 1.632 176.049 174.600 -0.304 0.000 0.977 277 S CA -0.171 57.884 58.200 -0.241 0.000 0.918 277 S CB 0.137 63.087 63.200 -0.415 0.000 0.806 277 S HN 0.051 nan 8.310 nan 0.000 0.496 278 V N 3.118 122.926 119.914 -0.177 0.000 2.287 278 V HA -0.166 3.954 4.120 0.000 0.000 0.248 278 V C 2.843 178.814 176.094 -0.204 0.000 1.053 278 V CA 2.296 64.496 62.300 -0.166 0.000 1.027 278 V CB -1.130 30.635 31.823 -0.096 0.000 0.646 278 V HN 0.832 nan 8.190 nan 0.000 0.447 279 S N -1.599 114.001 115.700 -0.167 0.000 2.593 279 S HA 0.139 4.609 4.470 0.000 0.000 0.217 279 S C 0.571 174.890 174.600 -0.469 0.000 0.966 279 S CA -0.094 58.001 58.200 -0.174 0.000 0.914 279 S CB -0.221 63.029 63.200 0.084 0.000 0.776 279 S HN 0.585 nan 8.310 nan 0.000 0.523 280 K N 0.590 120.643 120.400 -0.579 0.000 2.098 280 K HA 0.332 4.652 4.320 0.000 0.000 0.258 280 K C -1.075 175.247 176.600 -0.464 0.000 0.973 280 K CA -0.796 55.045 56.287 -0.742 0.000 0.898 280 K CB 0.707 32.862 32.500 -0.574 0.000 1.057 280 K HN 0.279 nan 8.250 nan 0.000 0.447 281 W N 1.737 122.875 121.300 -0.270 0.000 2.251 281 W HA 0.071 4.731 4.660 0.000 0.000 0.327 281 W C 1.000 177.469 176.519 -0.083 0.000 1.361 281 W CA 0.092 57.385 57.345 -0.088 0.000 1.234 281 W CB 0.322 29.816 29.460 0.056 0.000 1.212 281 W HN 0.578 nan 8.180 nan 0.000 0.557 282 N N 0.852 119.655 118.700 0.172 0.000 2.187 282 N HA -0.024 4.716 4.740 0.000 0.000 0.212 282 N C 0.656 176.317 175.510 0.252 0.000 1.152 282 N CA 0.336 53.460 53.050 0.123 0.000 0.872 282 N CB 0.587 39.001 38.487 -0.123 0.000 1.025 282 N HN 0.436 nan 8.380 nan 0.000 0.514 283 T N -2.317 112.385 114.554 0.247 0.000 3.200 283 T HA 0.223 4.573 4.350 0.000 0.000 0.284 283 T C -0.080 174.644 174.700 0.040 0.000 1.009 283 T CA -0.556 61.623 62.100 0.132 0.000 0.907 283 T CB -0.685 68.237 68.868 0.090 0.000 1.120 283 T HN 0.014 nan 8.240 nan 0.000 0.534 284 F N 2.106 122.033 119.950 -0.038 0.000 2.484 284 F HA 0.587 5.114 4.527 0.000 0.000 0.360 284 F C -0.686 175.000 175.800 -0.191 0.000 1.101 284 F CA -0.788 57.111 58.000 -0.169 0.000 1.251 284 F CB 0.518 39.468 39.000 -0.084 0.000 1.132 284 F HN 0.053 nan 8.300 nan 0.000 0.570 285 L N 5.950 126.660 121.223 -0.856 0.000 2.506 285 L HA 0.441 4.781 4.340 0.000 0.000 0.257 285 L C -1.407 174.908 176.870 -0.926 0.000 0.964 285 L CA -0.722 53.770 54.840 -0.580 0.000 0.836 285 L CB 2.383 44.102 42.059 -0.566 0.000 1.384 285 L HN 0.708 nan 8.230 nan 0.000 0.410 286 K N 2.482 122.727 120.400 -0.259 0.000 2.477 286 K HA 1.033 5.353 4.320 0.000 0.000 0.255 286 K C -1.597 175.067 176.600 0.106 0.000 0.952 286 K CA -0.848 55.376 56.287 -0.105 0.000 0.826 286 K CB 2.613 35.167 32.500 0.091 0.000 1.331 286 K HN 0.602 nan 8.250 nan 0.000 0.437 287 A N 2.806 125.626 122.820 0.001 0.000 2.475 287 A HA 0.506 4.826 4.320 0.000 0.000 0.301 287 A C -1.067 176.410 177.584 -0.177 0.000 1.059 287 A CA -1.002 50.957 52.037 -0.130 0.000 0.710 287 A CB 1.739 20.508 19.000 -0.385 0.000 1.288 287 A HN 0.896 nan 8.150 nan 0.000 0.408 288 M N 2.095 121.613 119.600 -0.137 0.000 2.200 288 M HA 0.386 4.866 4.480 0.000 0.000 0.355 288 M C -1.471 174.755 176.300 -0.124 0.000 1.283 288 M CA -0.470 54.758 55.300 -0.120 0.000 1.124 288 M CB 0.259 32.818 32.600 -0.069 0.000 1.625 288 M HN 0.599 nan 8.290 nan 0.000 0.463 289 L N 6.421 127.591 121.223 -0.089 0.000 2.257 289 L HA 0.422 4.762 4.340 0.000 0.000 0.290 289 L C -0.892 175.995 176.870 0.028 0.000 1.044 289 L CA -0.114 54.684 54.840 -0.069 0.000 0.810 289 L CB 1.318 43.384 42.059 0.012 0.000 1.193 289 L HN 0.476 nan 8.230 nan 0.000 0.425 290 V N 3.799 123.721 119.914 0.013 0.000 2.435 290 V HA 0.386 4.506 4.120 0.000 0.000 0.290 290 V C -0.319 175.729 176.094 -0.077 0.000 1.030 290 V CA -0.612 61.674 62.300 -0.023 0.000 0.881 290 V CB 1.653 33.469 31.823 -0.011 0.000 0.983 290 V HN 0.861 nan 8.190 nan 0.000 0.445 291 c N 5.003 123.431 118.600 -0.286 0.000 2.653 291 c HA 0.742 5.312 4.570 0.000 0.000 0.291 291 c C 0.010 174.049 174.090 -0.084 0.000 1.064 291 c CA -0.187 55.917 56.329 -0.376 0.000 1.469 291 c CB -0.268 41.563 42.510 -1.132 0.000 1.861 291 c HN 0.937 nan 8.230 nan 0.000 0.434 292 S N 3.254 118.947 115.700 -0.012 0.000 2.549 292 S HA 0.557 5.027 4.470 0.000 0.000 0.280 292 S C -1.303 173.329 174.600 0.053 0.000 1.109 292 S CA -0.298 57.934 58.200 0.054 0.000 0.905 292 S CB 1.633 64.825 63.200 -0.013 0.000 1.081 292 S HN 0.815 nan 8.310 nan 0.000 0.477 293 D N 2.450 122.893 120.400 0.072 0.000 2.264 293 D HA 0.612 5.252 4.640 0.000 0.000 0.250 293 D C 0.967 177.277 176.300 0.016 0.000 1.113 293 D CA 0.074 54.106 54.000 0.052 0.000 0.871 293 D CB 1.642 42.459 40.800 0.028 0.000 1.167 293 D HN 0.544 nan 8.370 nan 0.000 0.447 294 A N 4.216 127.050 122.820 0.024 0.000 1.840 294 A HA 0.081 4.401 4.320 0.000 0.000 0.214 294 A C 2.104 179.693 177.584 0.009 0.000 1.198 294 A CA 1.781 53.824 52.037 0.010 0.000 0.608 294 A CB -1.126 17.881 19.000 0.012 0.000 0.839 294 A HN 0.682 nan 8.150 nan 0.000 0.443 295 A N -0.219 122.616 122.820 0.026 0.000 1.859 295 A HA -0.238 4.082 4.320 0.000 0.000 0.218 295 A C 2.482 180.068 177.584 0.003 0.000 1.209 295 A CA 3.410 55.460 52.037 0.022 0.000 0.639 295 A CB -1.611 17.416 19.000 0.045 0.000 0.835 295 A HN 0.938 nan 8.150 nan 0.000 0.450 296 T N -4.826 109.728 114.554 -0.001 0.000 3.067 296 T HA 0.071 4.421 4.350 0.000 0.000 0.261 296 T C 0.849 175.514 174.700 -0.060 0.000 1.110 296 T CA 1.153 63.234 62.100 -0.032 0.000 1.113 296 T CB -0.354 68.484 68.868 -0.049 0.000 0.917 296 T HN 0.720 nan 8.240 nan 0.000 0.499 297 N N -0.222 118.441 118.700 -0.061 0.000 2.997 297 N HA -0.143 4.597 4.740 0.000 0.000 0.214 297 N C -1.055 174.380 175.510 -0.125 0.000 0.904 297 N CA 0.245 53.250 53.050 -0.075 0.000 1.021 297 N CB -0.982 37.468 38.487 -0.061 0.000 1.040 297 N HN 0.493 nan 8.380 nan 0.000 0.573 298 K N 1.485 121.785 120.400 -0.167 0.000 2.349 298 K HA 0.163 4.483 4.320 0.000 0.000 0.288 298 K C -0.298 176.064 176.600 -0.397 0.000 1.058 298 K CA -0.155 55.938 56.287 -0.323 0.000 0.953 298 K CB 0.812 33.076 32.500 -0.393 0.000 0.997 298 K HN 0.165 nan 8.250 nan 0.000 0.477 299 N N 2.478 120.893 118.700 -0.476 0.000 2.405 299 N HA 0.345 5.085 4.740 0.000 0.000 0.299 299 N C -1.599 173.564 175.510 -0.578 0.000 1.075 299 N CA -0.559 52.281 53.050 -0.350 0.000 0.884 299 N CB 0.643 39.034 38.487 -0.159 0.000 1.194 299 N HN 0.257 nan 8.380 nan 0.000 0.491 300 F N 1.966 121.907 119.950 -0.015 0.000 2.532 300 F HA 0.286 4.813 4.527 -0.000 0.000 0.365 300 F C 0.907 176.778 175.800 0.119 0.000 1.112 300 F CA -0.792 57.255 58.000 0.077 0.000 1.082 300 F CB 0.746 39.798 39.000 0.087 0.000 1.319 300 F HN 0.645 nan 8.300 nan 0.000 0.457 301 N N 0.952 119.802 118.700 0.249 0.000 2.353 301 N HA -0.006 4.734 4.740 0.000 0.000 0.185 301 N C 0.600 176.301 175.510 0.318 0.000 1.098 301 N CA -0.209 52.984 53.050 0.239 0.000 0.872 301 N CB 0.440 38.994 38.487 0.112 0.000 0.970 301 N HN 0.436 nan 8.380 nan 0.000 0.467 302 R N 1.200 121.911 120.500 0.353 0.000 2.278 302 R HA 0.245 4.585 4.340 0.000 0.000 0.322 302 R C -0.986 175.415 176.300 0.169 0.000 1.058 302 R CA -0.826 55.416 56.100 0.237 0.000 0.991 302 R CB 0.250 30.656 30.300 0.177 0.000 1.140 302 R HN 0.175 nan 8.270 nan 0.000 0.518 303 L N 3.888 125.103 121.223 -0.013 0.000 2.462 303 L HA 0.034 4.374 4.340 0.000 0.000 0.272 303 L C 0.524 177.293 176.870 -0.168 0.000 1.166 303 L CA 0.873 55.458 54.840 -0.426 0.000 0.880 303 L CB 1.100 42.912 42.059 -0.411 0.000 1.142 303 L HN 0.730 nan 8.230 nan 0.000 0.473 304 Q N 2.362 122.061 119.800 -0.169 0.000 2.387 304 Q HA 0.231 4.571 4.340 0.000 0.000 0.212 304 Q C -0.286 175.705 176.000 -0.016 0.000 0.925 304 Q CA 0.404 56.190 55.803 -0.028 0.000 0.901 304 Q CB 0.799 29.555 28.738 0.030 0.000 1.020 304 Q HN 0.782 nan 8.270 nan 0.000 0.545 305 D N -1.172 119.193 120.400 -0.058 0.000 2.663 305 D HA 0.389 5.029 4.640 0.000 0.000 0.233 305 D C -1.697 174.585 176.300 -0.030 0.000 1.240 305 D CA -0.385 53.615 54.000 -0.000 0.000 0.774 305 D CB 2.206 43.033 40.800 0.046 0.000 1.443 305 D HN -0.236 nan 8.370 nan 0.000 0.441 306 V N 2.362 122.270 119.914 -0.009 0.000 2.823 306 V HA 0.709 4.829 4.120 0.000 0.000 0.312 306 V C -1.033 175.134 176.094 0.122 0.000 1.072 306 V CA -0.804 61.461 62.300 -0.059 0.000 0.937 306 V CB 1.883 33.447 31.823 -0.432 0.000 1.013 306 V HN 0.554 nan 8.190 nan 0.000 0.430 307 F N 4.218 124.191 119.950 0.037 0.000 2.561 307 F HA 0.693 5.220 4.527 0.000 0.000 0.313 307 F C -1.128 174.782 175.800 0.183 0.000 1.126 307 F CA -0.564 57.498 58.000 0.103 0.000 0.918 307 F CB 1.437 40.496 39.000 0.099 0.000 1.199 307 F HN 0.310 nan 8.300 nan 0.000 0.444 308 L N 6.497 127.474 121.223 -0.409 0.000 2.309 308 L HA 0.552 4.892 4.340 0.000 0.000 0.282 308 L C -1.264 175.444 176.870 -0.269 0.000 1.036 308 L CA -1.083 53.649 54.840 -0.180 0.000 0.806 308 L CB 1.743 43.740 42.059 -0.103 0.000 1.220 308 L HN 0.569 nan 8.230 nan 0.000 0.429 309 L N 6.324 127.617 121.223 0.116 0.000 2.427 309 L HA 0.559 4.899 4.340 0.000 0.000 0.264 309 L C -2.513 174.476 176.870 0.197 0.000 0.989 309 L CA -1.425 53.549 54.840 0.223 0.000 0.865 309 L CB 1.549 43.907 42.059 0.499 0.000 1.209 309 L HN 0.244 nan 8.230 nan 0.000 0.430 310 P HA 0.079 nan 4.420 nan 0.000 0.269 310 P C -0.911 176.475 177.300 0.143 0.000 1.209 310 P CA -0.066 63.116 63.100 0.137 0.000 0.776 310 P CB 0.549 32.320 31.700 0.118 0.000 0.876 311 D N 2.810 123.282 120.400 0.121 0.000 2.339 311 D HA 0.068 4.708 4.640 0.000 0.000 0.245 311 D C -1.476 174.876 176.300 0.087 0.000 1.115 311 D CA -1.699 52.364 54.000 0.106 0.000 0.917 311 D CB 0.796 41.637 40.800 0.069 0.000 1.192 311 D HN 0.145 nan 8.370 nan 0.000 0.428 312 P HA -0.093 nan 4.420 nan 0.000 0.222 312 P C 1.240 178.566 177.300 0.044 0.000 1.147 312 P CA 0.845 63.978 63.100 0.055 0.000 0.790 312 P CB 0.143 31.866 31.700 0.039 0.000 0.780 313 S N -1.463 114.261 115.700 0.040 0.000 2.481 313 S HA 0.072 4.542 4.470 0.000 0.000 0.231 313 S C 1.855 176.477 174.600 0.037 0.000 0.996 313 S CA 0.863 59.080 58.200 0.028 0.000 0.942 313 S CB -1.424 61.783 63.200 0.012 0.000 0.768 313 S HN 0.276 nan 8.310 nan 0.000 0.520 314 G N 0.001 108.835 108.800 0.055 0.000 2.184 314 G HA2 -0.289 3.671 3.960 0.000 0.000 0.264 314 G HA3 -0.289 3.671 3.960 0.000 0.000 0.264 314 G C -0.048 174.906 174.900 0.089 0.000 0.975 314 G CA 0.332 45.476 45.100 0.074 0.000 0.642 314 G HN 0.612 nan 8.290 nan 0.000 0.536 315 Q N 1.038 120.867 119.800 0.047 0.000 2.323 315 Q HA 0.390 4.730 4.340 0.000 0.000 0.257 315 Q C 1.616 177.616 176.000 0.001 0.000 1.022 315 Q CA -0.136 55.663 55.803 -0.007 0.000 0.919 315 Q CB -0.064 28.616 28.738 -0.097 0.000 1.220 315 Q HN 0.604 nan 8.270 nan 0.000 0.427 316 W N 3.887 125.212 121.300 0.040 0.000 2.305 316 W HA -0.280 4.380 4.660 0.000 0.000 0.308 316 W C 0.578 177.122 176.519 0.042 0.000 1.226 316 W CA 1.111 58.481 57.345 0.040 0.000 1.253 316 W CB -0.374 29.104 29.460 0.029 0.000 1.146 316 W HN 0.586 nan 8.180 nan 0.000 0.507 317 R N 0.759 120.703 120.500 -0.927 0.000 2.261 317 R HA -0.144 4.196 4.340 0.000 0.000 0.236 317 R C 1.247 177.367 176.300 -0.299 0.000 1.141 317 R CA 1.813 57.388 56.100 -0.876 0.000 1.001 317 R CB -0.284 29.386 30.300 -1.049 0.000 0.866 317 R HN 0.137 nan 8.270 nan 0.000 0.468 318 D N -0.808 119.491 120.400 -0.170 0.000 2.349 318 D HA 0.012 4.652 4.640 0.000 0.000 0.214 318 D C -0.032 176.282 176.300 0.023 0.000 1.063 318 D CA 0.391 54.354 54.000 -0.062 0.000 0.847 318 D CB 0.393 41.166 40.800 -0.045 0.000 0.933 318 D HN -0.030 nan 8.370 nan 0.000 0.513 319 T N 1.547 116.145 114.554 0.074 0.000 2.902 319 T HA 0.120 4.470 4.350 0.000 0.000 0.301 319 T C 0.674 175.444 174.700 0.117 0.000 1.012 319 T CA 0.115 62.291 62.100 0.127 0.000 1.151 319 T CB 0.792 69.765 68.868 0.175 0.000 0.946 319 T HN -0.083 nan 8.240 nan 0.000 0.542 320 R N 1.965 122.536 120.500 0.119 0.000 2.349 320 R HA 0.523 4.863 4.340 0.000 0.000 0.299 320 R C -0.833 175.532 176.300 0.108 0.000 1.027 320 R CA -0.535 55.596 56.100 0.051 0.000 0.958 320 R CB 1.091 31.386 30.300 -0.009 0.000 1.047 320 R HN 0.360 nan 8.270 nan 0.000 0.468 321 V N 4.576 124.529 119.914 0.065 0.000 2.350 321 V HA 0.253 4.373 4.120 0.000 0.000 0.285 321 V C -1.024 175.138 176.094 0.114 0.000 1.014 321 V CA -0.760 61.631 62.300 0.152 0.000 0.831 321 V CB 0.776 32.737 31.823 0.230 0.000 1.000 321 V HN 0.641 nan 8.190 nan 0.000 0.433 322 Y N 2.762 123.183 120.300 0.202 0.000 2.367 322 Y HA 0.654 5.204 4.550 0.000 0.000 0.342 322 Y C 0.942 176.953 175.900 0.185 0.000 0.979 322 Y CA -0.153 58.071 58.100 0.207 0.000 1.161 322 Y CB 1.794 40.389 38.460 0.225 0.000 1.155 322 Y HN 0.693 nan 8.280 nan 0.000 0.503 323 G N 2.401 111.435 108.800 0.390 0.000 2.415 323 G HA2 0.566 4.526 3.960 0.000 0.000 0.327 323 G HA3 0.566 4.526 3.960 0.000 0.000 0.327 323 G C -1.461 173.607 174.900 0.280 0.000 1.182 323 G CA -0.685 44.572 45.100 0.262 0.000 0.924 323 G HN 0.424 nan 8.290 nan 0.000 0.470 324 V N 1.624 121.557 119.914 0.032 0.000 2.398 324 V HA 0.609 4.729 4.120 0.000 0.000 0.286 324 V C -0.855 175.239 176.094 0.001 0.000 1.026 324 V CA -0.612 61.765 62.300 0.128 0.000 0.868 324 V CB 0.735 32.617 31.823 0.098 0.000 0.982 324 V HN 0.533 nan 8.190 nan 0.000 0.443 325 F N 2.044 122.065 119.950 0.118 0.000 2.551 325 F HA 0.750 5.277 4.527 -0.000 0.000 0.316 325 F C 0.526 176.473 175.800 0.245 0.000 1.089 325 F CA -0.464 57.642 58.000 0.178 0.000 0.915 325 F CB 2.354 41.477 39.000 0.205 0.000 1.186 325 F HN 0.579 nan 8.300 nan 0.000 0.456 326 S N 1.337 117.325 115.700 0.480 0.000 2.806 326 S HA 0.795 5.265 4.470 0.000 0.000 0.315 326 S C -0.905 173.932 174.600 0.396 0.000 1.127 326 S CA -0.919 57.557 58.200 0.459 0.000 0.918 326 S CB 2.355 65.786 63.200 0.385 0.000 1.240 326 S HN 0.810 nan 8.310 nan 0.000 0.552 327 N N -1.228 117.635 118.700 0.273 0.000 3.102 327 N HA 0.481 5.221 4.740 0.000 0.000 0.299 327 N C -2.719 172.808 175.510 0.027 0.000 1.482 327 N CA -2.167 50.969 53.050 0.144 0.000 0.785 327 N CB 0.878 39.421 38.487 0.094 0.000 1.680 327 N HN 0.183 nan 8.380 nan 0.000 0.594 328 P HA -0.115 nan 4.420 nan 0.000 0.218 328 P C 0.094 177.153 177.300 -0.402 0.000 1.146 328 P CA 1.253 64.195 63.100 -0.263 0.000 0.813 328 P CB 0.046 31.490 31.700 -0.427 0.000 0.778 329 W N -1.711 119.379 121.300 -0.350 0.000 3.290 329 W HA 0.166 4.826 4.660 0.000 0.000 0.287 329 W C 0.224 176.382 176.519 -0.602 0.000 1.288 329 W CA -0.065 56.933 57.345 -0.578 0.000 1.725 329 W CB -0.671 28.186 29.460 -1.006 0.000 1.103 329 W HN 0.068 nan 8.180 nan 0.000 0.670 330 N N -0.603 117.954 118.700 -0.239 0.000 2.747 330 N HA -0.218 4.522 4.740 0.000 0.000 0.249 330 N C -0.848 174.689 175.510 0.044 0.000 1.107 330 N CA 1.054 53.881 53.050 -0.373 0.000 0.707 330 N CB -2.041 36.066 38.487 -0.634 0.000 1.054 330 N HN 0.031 nan 8.380 nan 0.000 0.555 331 Y N -0.120 120.259 120.300 0.131 0.000 2.354 331 Y HA 0.630 5.180 4.550 0.000 0.000 0.322 331 Y C 1.135 177.238 175.900 0.338 0.000 1.253 331 Y CA -1.320 56.906 58.100 0.211 0.000 1.272 331 Y CB 1.306 39.918 38.460 0.253 0.000 1.255 331 Y HN -0.114 nan 8.280 nan 0.000 0.500 332 S N 0.145 116.081 115.700 0.393 0.000 2.599 332 S HA 0.959 5.429 4.470 0.000 0.000 0.287 332 S C -1.050 173.388 174.600 -0.270 0.000 1.105 332 S CA -0.802 57.513 58.200 0.192 0.000 0.899 332 S CB 2.271 65.608 63.200 0.229 0.000 1.100 332 S HN 0.778 nan 8.310 nan 0.000 0.482 333 A N 0.847 123.402 122.820 -0.441 0.000 2.572 333 A HA 0.788 5.108 4.320 0.000 0.000 0.295 333 A C -1.634 175.811 177.584 -0.231 0.000 1.072 333 A CA -0.646 50.981 52.037 -0.684 0.000 0.691 333 A CB 1.261 19.398 19.000 -1.439 0.000 1.291 333 A HN 0.618 nan 8.150 nan 0.000 0.404 334 V N 0.550 120.327 119.914 -0.228 0.000 2.409 334 V HA 0.466 4.586 4.120 0.000 0.000 0.291 334 V C -0.358 175.776 176.094 0.067 0.000 1.020 334 V CA -0.486 61.854 62.300 0.067 0.000 0.848 334 V CB 0.925 32.855 31.823 0.179 0.000 0.990 334 V HN 1.000 nan 8.190 nan 0.000 0.430 335 c N 4.559 123.232 118.600 0.123 0.000 2.529 335 c HA 0.819 5.389 4.570 0.000 0.000 0.329 335 c C 0.007 173.944 174.090 -0.256 0.000 1.194 335 c CA -0.566 55.685 56.329 -0.129 0.000 1.779 335 c CB 1.815 44.163 42.510 -0.269 0.000 2.322 335 c HN 0.670 nan 8.230 nan 0.000 0.500 336 V N 2.680 122.276 119.914 -0.530 0.000 2.495 336 V HA 0.553 4.673 4.120 0.000 0.000 0.298 336 V C -1.086 174.581 176.094 -0.712 0.000 1.031 336 V CA -0.563 61.372 62.300 -0.608 0.000 0.871 336 V CB 1.058 32.502 31.823 -0.632 0.000 0.988 336 V HN 0.832 nan 8.190 nan 0.000 0.432 337 Y N 1.081 121.303 120.300 -0.130 0.000 2.630 337 Y HA 0.742 5.292 4.550 0.000 0.000 0.337 337 Y C 0.536 176.410 175.900 -0.043 0.000 1.051 337 Y CA -0.923 57.148 58.100 -0.049 0.000 1.121 337 Y CB 2.149 40.629 38.460 0.034 0.000 1.299 337 Y HN 0.664 nan 8.280 nan 0.000 0.498 338 S N 0.135 115.930 115.700 0.159 0.000 2.513 338 S HA 0.375 4.845 4.470 0.000 0.000 0.299 338 S C 0.019 174.724 174.600 0.176 0.000 1.087 338 S CA -0.704 57.560 58.200 0.107 0.000 1.012 338 S CB 1.528 64.741 63.200 0.022 0.000 1.044 338 S HN 0.548 nan 8.310 nan 0.000 0.485 339 L N 2.801 124.157 121.223 0.221 0.000 2.127 339 L HA 0.081 4.421 4.340 0.000 0.000 0.211 339 L C 2.546 179.607 176.870 0.318 0.000 1.089 339 L CA 2.269 57.332 54.840 0.371 0.000 0.757 339 L CB -1.504 40.827 42.059 0.453 0.000 0.899 339 L HN 1.054 nan 8.230 nan 0.000 0.434 340 G N -1.094 107.748 108.800 0.070 0.000 2.421 340 G HA2 -0.269 3.691 3.960 0.000 0.000 0.216 340 G HA3 -0.269 3.691 3.960 0.000 0.000 0.216 340 G C 1.293 176.217 174.900 0.040 0.000 1.171 340 G CA 0.831 45.896 45.100 -0.057 0.000 0.775 340 G HN 0.340 nan 8.290 nan 0.000 0.543 341 D N 0.539 120.961 120.400 0.036 0.000 2.144 341 D HA -0.054 4.586 4.640 0.000 0.000 0.199 341 D C 2.535 178.829 176.300 -0.011 0.000 0.984 341 D CA 0.437 54.448 54.000 0.018 0.000 0.834 341 D CB -0.160 40.657 40.800 0.029 0.000 0.955 341 D HN 0.387 nan 8.370 nan 0.000 0.465 342 I N 0.613 121.193 120.570 0.016 0.000 2.252 342 I HA -0.238 3.932 4.170 0.000 0.000 0.245 342 I C 2.095 178.139 176.117 -0.121 0.000 1.102 342 I CA 1.187 62.394 61.300 -0.154 0.000 1.385 342 I CB -0.160 37.776 38.000 -0.107 0.000 1.064 342 I HN -0.086 nan 8.210 nan 0.000 0.414 343 D N 1.040 121.567 120.400 0.211 0.000 2.144 343 D HA -0.255 4.385 4.640 0.000 0.000 0.199 343 D C 2.212 178.624 176.300 0.186 0.000 0.984 343 D CA 1.297 55.504 54.000 0.345 0.000 0.834 343 D CB 0.024 41.147 40.800 0.538 0.000 0.955 343 D HN 0.093 nan 8.370 nan 0.000 0.465 344 K N -0.229 120.231 120.400 0.100 0.000 2.097 344 K HA -0.115 4.205 4.320 0.000 0.000 0.206 344 K C 1.900 178.499 176.600 -0.001 0.000 1.049 344 K CA 1.013 57.331 56.287 0.052 0.000 0.933 344 K CB -0.010 32.503 32.500 0.021 0.000 0.717 344 K HN 0.052 nan 8.250 nan 0.000 0.442 345 V N 0.805 120.657 119.914 -0.103 0.000 2.343 345 V HA -0.221 3.899 4.120 0.000 0.000 0.247 345 V C 1.972 177.991 176.094 -0.126 0.000 1.051 345 V CA 1.794 63.983 62.300 -0.185 0.000 1.036 345 V CB -0.515 31.082 31.823 -0.376 0.000 0.654 345 V HN 0.309 nan 8.190 nan 0.000 0.451 346 F N 0.672 120.588 119.950 -0.057 0.000 2.293 346 F HA -0.140 4.388 4.527 0.000 0.000 0.300 346 F C 2.469 178.251 175.800 -0.029 0.000 1.086 346 F CA 1.268 59.224 58.000 -0.074 0.000 1.375 346 F CB -0.051 38.884 39.000 -0.108 0.000 1.045 346 F HN 0.205 nan 8.300 nan 0.000 0.516 347 R N -0.441 120.165 120.500 0.177 0.000 2.362 347 R HA 0.113 4.453 4.340 0.000 0.000 0.227 347 R C 1.140 177.488 176.300 0.080 0.000 0.905 347 R CA 1.174 57.345 56.100 0.119 0.000 1.067 347 R CB -0.498 29.871 30.300 0.114 0.000 1.078 347 R HN 0.232 nan 8.270 nan 0.000 0.516 348 T N -3.368 111.224 114.554 0.062 0.000 2.954 348 T HA 0.106 4.456 4.350 0.000 0.000 0.252 348 T C 0.744 175.464 174.700 0.033 0.000 0.983 348 T CA -0.147 61.978 62.100 0.042 0.000 0.941 348 T CB 0.355 69.240 68.868 0.029 0.000 1.141 348 T HN 0.077 nan 8.240 nan 0.000 0.500 349 S N 2.554 118.270 115.700 0.027 0.000 2.576 349 S HA 0.510 4.980 4.470 0.000 0.000 0.276 349 S C 0.692 175.314 174.600 0.037 0.000 1.339 349 S CA -0.289 57.923 58.200 0.020 0.000 1.039 349 S CB 0.532 63.730 63.200 -0.004 0.000 0.902 349 S HN 0.770 nan 8.310 nan 0.000 0.516 350 S N 4.494 120.216 115.700 0.036 0.000 2.641 350 S HA 0.513 4.983 4.470 0.000 0.000 0.261 350 S C -0.235 174.389 174.600 0.040 0.000 1.257 350 S CA -0.827 57.401 58.200 0.046 0.000 0.983 350 S CB -0.003 63.226 63.200 0.048 0.000 0.990 350 S HN 0.668 nan 8.310 nan 0.000 0.572 351 L N 0.807 122.051 121.223 0.034 0.000 2.307 351 L HA 0.490 4.830 4.340 0.000 0.000 0.284 351 L C 0.263 177.135 176.870 0.004 0.000 1.023 351 L CA -0.922 53.934 54.840 0.027 0.000 0.810 351 L CB 1.444 43.505 42.059 0.004 0.000 1.231 351 L HN 0.789 nan 8.230 nan 0.000 0.423 352 K N 1.979 122.408 120.400 0.048 0.000 2.484 352 K HA 0.160 4.480 4.320 0.000 0.000 0.280 352 K C 1.071 177.720 176.600 0.082 0.000 1.013 352 K CA 1.159 57.481 56.287 0.059 0.000 1.029 352 K CB 0.289 32.838 32.500 0.083 0.000 0.902 352 K HN 0.834 nan 8.250 nan 0.000 0.481 353 G N 2.990 111.774 108.800 -0.027 0.000 2.179 353 G HA2 -0.323 3.637 3.960 0.000 0.000 0.260 353 G HA3 -0.323 3.637 3.960 0.000 0.000 0.260 353 G C -0.556 174.050 174.900 -0.492 0.000 0.977 353 G CA 0.525 45.605 45.100 -0.034 0.000 0.641 353 G HN 0.694 nan 8.290 nan 0.000 0.533 354 Y N 1.538 121.281 120.300 -0.928 0.000 2.345 354 Y HA 0.632 5.182 4.550 -0.000 0.000 0.331 354 Y C 0.748 176.217 175.900 -0.717 0.000 0.959 354 Y CA -1.087 56.459 58.100 -0.924 0.000 1.204 354 Y CB 0.946 38.867 38.460 -0.899 0.000 1.135 354 Y HN 0.219 nan 8.280 nan 0.000 0.477 355 H N 3.344 122.116 119.070 -0.496 0.000 2.488 355 H HA 0.242 4.798 4.556 0.000 0.000 0.294 355 H C -0.072 175.027 175.328 -0.382 0.000 1.088 355 H CA 0.077 55.927 56.048 -0.330 0.000 1.086 355 H CB 0.107 29.753 29.762 -0.193 0.000 1.569 355 H HN 0.507 nan 8.280 nan 0.000 0.548 356 S N 0.029 115.375 115.700 -0.588 0.000 2.671 356 S HA 0.426 4.896 4.470 0.000 0.000 0.299 356 S C 0.154 174.669 174.600 -0.142 0.000 1.116 356 S CA -0.855 57.139 58.200 -0.344 0.000 0.912 356 S CB 2.246 65.210 63.200 -0.394 0.000 1.130 356 S HN 0.245 nan 8.310 nan 0.000 0.501 357 S N 1.230 116.917 115.700 -0.022 0.000 2.558 357 S HA 0.239 4.709 4.470 0.000 0.000 0.293 357 S C 0.293 174.989 174.600 0.161 0.000 1.292 357 S CA -0.638 57.597 58.200 0.058 0.000 1.063 357 S CB -0.675 62.550 63.200 0.042 0.000 0.831 357 S HN 0.624 nan 8.310 nan 0.000 0.499 358 L N 2.672 123.996 121.223 0.168 0.000 2.464 358 L HA 0.348 4.688 4.340 0.000 0.000 0.264 358 L C -1.848 175.083 176.870 0.103 0.000 1.199 358 L CA -2.027 52.915 54.840 0.170 0.000 0.818 358 L CB -0.383 41.736 42.059 0.100 0.000 1.102 358 L HN 0.467 nan 8.230 nan 0.000 0.473 359 P HA 0.041 nan 4.420 nan 0.000 0.269 359 P C 0.241 177.569 177.300 0.047 0.000 1.209 359 P CA -0.274 62.856 63.100 0.051 0.000 0.776 359 P CB 0.456 32.173 31.700 0.027 0.000 0.876 360 N N 2.809 121.536 118.700 0.045 0.000 1.997 360 N HA -0.085 4.655 4.740 0.000 0.000 0.198 360 N C -1.405 174.131 175.510 0.044 0.000 1.063 360 N CA 1.220 54.296 53.050 0.043 0.000 0.860 360 N CB -1.658 36.852 38.487 0.039 0.000 1.063 360 N HN 0.331 nan 8.380 nan 0.000 0.424 361 P HA 0.063 nan 4.420 nan 0.000 0.269 361 P C -0.272 177.055 177.300 0.045 0.000 1.252 361 P CA 0.171 63.299 63.100 0.047 0.000 0.780 361 P CB -0.067 31.662 31.700 0.048 0.000 0.829 362 R N 5.167 125.694 120.500 0.045 0.000 2.570 362 R HA 0.126 4.466 4.340 0.000 0.000 0.277 362 R C -2.038 174.280 176.300 0.032 0.000 1.039 362 R CA -1.331 54.791 56.100 0.037 0.000 1.065 362 R CB -0.263 30.063 30.300 0.043 0.000 0.964 362 R HN 0.304 nan 8.270 nan 0.000 0.428 363 P HA -0.006 nan 4.420 nan 0.000 0.264 363 P C 0.132 177.436 177.300 0.006 0.000 1.193 363 P CA 1.132 64.240 63.100 0.013 0.000 0.763 363 P CB 0.780 32.469 31.700 -0.019 0.000 0.810 364 G N 2.110 110.912 108.800 0.004 0.000 2.199 364 G HA2 -0.283 3.678 3.960 0.000 0.000 0.254 364 G HA3 -0.283 3.678 3.960 0.000 0.000 0.254 364 G C 0.250 175.131 174.900 -0.033 0.000 0.982 364 G CA 0.019 45.085 45.100 -0.057 0.000 0.632 364 G HN 0.656 nan 8.290 nan 0.000 0.529 365 K N 0.991 121.400 120.400 0.015 0.000 2.276 365 K HA 0.506 4.826 4.320 0.000 0.000 0.285 365 K C 0.869 177.503 176.600 0.057 0.000 1.062 365 K CA -0.505 55.802 56.287 0.034 0.000 0.918 365 K CB 0.095 32.626 32.500 0.052 0.000 1.055 365 K HN 0.249 nan 8.250 nan 0.000 0.477 366 c N 4.452 123.088 118.600 0.060 0.000 2.689 366 c HA 0.202 4.772 4.570 0.000 0.000 0.409 366 c C 0.455 174.666 174.090 0.203 0.000 1.293 366 c CA -0.769 55.630 56.329 0.116 0.000 2.136 366 c CB -0.737 41.834 42.510 0.102 0.000 2.719 366 c HN 0.684 nan 8.230 nan 0.000 0.644 367 L N 3.069 124.402 121.223 0.185 0.000 2.325 367 L HA 0.323 4.663 4.340 0.000 0.000 0.278 367 L C -1.541 175.325 176.870 -0.007 0.000 1.023 367 L CA -1.517 53.392 54.840 0.115 0.000 0.811 367 L CB 1.284 43.368 42.059 0.042 0.000 1.249 367 L HN 0.411 nan 8.230 nan 0.000 0.431 368 P HA -0.160 nan 4.420 nan 0.000 0.207 368 P C -0.513 176.512 177.300 -0.458 0.000 0.938 368 P CA 1.042 63.650 63.100 -0.819 0.000 0.948 368 P CB 0.112 31.500 31.700 -0.521 0.000 0.643 369 D N 0.329 120.571 120.400 -0.265 0.000 2.551 369 D HA 0.077 4.717 4.640 0.000 0.000 0.223 369 D C -0.196 176.050 176.300 -0.091 0.000 1.144 369 D CA 0.154 54.062 54.000 -0.154 0.000 1.025 369 D CB -0.999 39.733 40.800 -0.113 0.000 1.085 369 D HN 0.157 nan 8.370 nan 0.000 0.506 370 Q N 0.359 120.116 119.800 -0.071 0.000 2.408 370 Q HA -0.307 4.033 4.340 0.000 0.000 0.290 370 Q C -0.517 175.462 176.000 -0.036 0.000 1.221 370 Q CA 0.556 56.336 55.803 -0.037 0.000 0.895 370 Q CB -1.299 27.421 28.738 -0.030 0.000 1.241 370 Q HN 0.625 nan 8.270 nan 0.000 0.494 371 Q N 1.247 121.024 119.800 -0.038 0.000 2.293 371 Q HA 0.362 4.702 4.340 0.000 0.000 0.251 371 Q C -1.975 174.014 176.000 -0.019 0.000 0.930 371 Q CA -1.500 54.285 55.803 -0.028 0.000 0.893 371 Q CB 0.638 29.360 28.738 -0.027 0.000 1.215 371 Q HN 0.108 nan 8.270 nan 0.000 0.425 372 P HA 0.150 nan 4.420 nan 0.000 0.276 372 P C -0.623 176.667 177.300 -0.016 0.000 1.244 372 P CA -0.473 62.606 63.100 -0.034 0.000 0.801 372 P CB 0.813 32.483 31.700 -0.050 0.000 1.006 373 I N 2.524 123.083 120.570 -0.017 0.000 2.556 373 I HA 0.115 4.285 4.170 0.000 0.000 0.284 373 I C -1.985 174.150 176.117 0.030 0.000 1.114 373 I CA -2.393 58.919 61.300 0.020 0.000 1.418 373 I CB -0.623 37.404 38.000 0.045 0.000 1.394 373 I HN 0.149 nan 8.210 nan 0.000 0.552 374 P HA 0.075 nan 4.420 nan 0.000 0.268 374 P C 0.973 178.333 177.300 0.099 0.000 1.204 374 P CA 0.173 63.307 63.100 0.056 0.000 0.768 374 P CB 0.527 32.257 31.700 0.050 0.000 0.842 375 T N 1.867 116.479 114.554 0.097 0.000 2.665 375 T HA -0.197 4.153 4.350 0.000 0.000 0.268 375 T C 1.488 176.265 174.700 0.128 0.000 1.035 375 T CA 1.565 63.754 62.100 0.147 0.000 1.151 375 T CB -0.491 68.440 68.868 0.106 0.000 0.862 375 T HN 0.585 nan 8.240 nan 0.000 0.438 376 E N 1.019 121.267 120.200 0.079 0.000 2.160 376 E HA -0.129 4.221 4.350 0.000 0.000 0.195 376 E C 2.059 178.682 176.600 0.038 0.000 0.991 376 E CA 1.286 57.718 56.400 0.053 0.000 0.810 376 E CB -1.025 28.703 29.700 0.047 0.000 0.742 376 E HN 0.436 nan 8.360 nan 0.000 0.466 377 T N 1.010 115.603 114.554 0.065 0.000 2.809 377 T HA -0.038 4.312 4.350 0.000 0.000 0.260 377 T C 1.361 176.107 174.700 0.077 0.000 1.039 377 T CA 0.855 62.986 62.100 0.053 0.000 1.141 377 T CB -0.422 68.489 68.868 0.072 0.000 0.869 377 T HN 0.172 nan 8.240 nan 0.000 0.437 378 F N 2.456 122.400 119.950 -0.009 0.000 2.126 378 F HA -0.111 4.415 4.527 -0.000 0.000 0.299 378 F C 2.338 178.129 175.800 -0.016 0.000 1.096 378 F CA 1.337 59.333 58.000 -0.007 0.000 1.255 378 F CB -0.562 38.436 39.000 -0.003 0.000 0.997 378 F HN 0.148 nan 8.300 nan 0.000 0.479 379 Q N -0.389 119.249 119.800 -0.270 0.000 2.170 379 Q HA -0.142 4.198 4.340 0.000 0.000 0.203 379 Q C 2.390 178.217 176.000 -0.289 0.000 0.976 379 Q CA 1.709 57.294 55.803 -0.362 0.000 0.858 379 Q CB -0.489 28.166 28.738 -0.139 0.000 0.907 379 Q HN 0.377 nan 8.270 nan 0.000 0.433 380 V N 1.056 120.835 119.914 -0.226 0.000 2.307 380 V HA -0.253 3.867 4.120 0.000 0.000 0.245 380 V C 2.320 178.283 176.094 -0.219 0.000 1.045 380 V CA 1.842 63.968 62.300 -0.289 0.000 1.024 380 V CB -0.910 30.645 31.823 -0.446 0.000 0.651 380 V HN 0.376 nan 8.190 nan 0.000 0.449 381 A N -0.076 122.629 122.820 -0.191 0.000 1.902 381 A HA -0.301 4.019 4.320 0.000 0.000 0.217 381 A C 2.031 179.524 177.584 -0.153 0.000 1.181 381 A CA 2.237 54.211 52.037 -0.105 0.000 0.623 381 A CB -0.735 18.264 19.000 -0.002 0.000 0.818 381 A HN 0.577 nan 8.150 nan 0.000 0.443 382 D N -1.204 118.961 120.400 -0.392 0.000 2.219 382 D HA -0.134 4.506 4.640 0.000 0.000 0.205 382 D C 2.074 178.205 176.300 -0.281 0.000 0.970 382 D CA 1.252 54.993 54.000 -0.432 0.000 0.851 382 D CB -0.040 40.212 40.800 -0.914 0.000 0.943 382 D HN 0.489 nan 8.370 nan 0.000 0.488 383 R N -1.372 118.966 120.500 -0.270 0.000 2.173 383 R HA 0.055 4.395 4.340 0.000 0.000 0.208 383 R C 0.040 176.049 176.300 -0.484 0.000 1.035 383 R CA 0.543 56.449 56.100 -0.324 0.000 1.004 383 R CB 0.173 30.298 30.300 -0.292 0.000 0.917 383 R HN 0.197 nan 8.270 nan 0.000 0.462 384 H N -0.110 118.894 119.070 -0.110 0.000 2.380 384 H HA 0.216 4.772 4.556 -0.000 0.000 0.231 384 H C -2.058 173.254 175.328 -0.026 0.000 1.415 384 H CA -1.685 54.327 56.048 -0.059 0.000 1.433 384 H CB 1.738 31.454 29.762 -0.075 0.000 1.544 384 H HN 0.152 nan 8.280 nan 0.000 0.503 385 P HA -0.082 nan 4.420 nan 0.000 0.236 385 P C 0.270 177.685 177.300 0.192 0.000 1.177 385 P CA 0.530 63.735 63.100 0.175 0.000 0.773 385 P CB 0.895 32.724 31.700 0.215 0.000 0.878 386 E N 1.195 121.483 120.200 0.147 0.000 2.174 386 E HA 0.307 4.657 4.350 0.000 0.000 0.282 386 E C -0.145 176.511 176.600 0.093 0.000 0.992 386 E CA -0.883 55.588 56.400 0.119 0.000 0.803 386 E CB 1.424 31.180 29.700 0.094 0.000 1.090 386 E HN -0.156 nan 8.360 nan 0.000 0.396 387 V N 1.852 121.815 119.914 0.081 0.000 2.732 387 V HA 0.387 4.507 4.120 0.000 0.000 0.297 387 V C 1.021 177.130 176.094 0.026 0.000 1.060 387 V CA 0.354 62.689 62.300 0.057 0.000 1.038 387 V CB 1.197 33.055 31.823 0.058 0.000 1.003 387 V HN 0.832 nan 8.190 nan 0.000 0.481 388 A N 2.722 125.556 122.820 0.023 0.000 1.968 388 A HA 0.033 4.353 4.320 0.000 0.000 0.217 388 A C 1.303 178.884 177.584 -0.004 0.000 1.169 388 A CA 1.119 53.168 52.037 0.019 0.000 0.638 388 A CB -0.491 18.529 19.000 0.034 0.000 0.812 388 A HN 1.098 nan 8.150 nan 0.000 0.446 389 Q N -0.048 119.738 119.800 -0.023 0.000 2.259 389 Q HA 0.533 4.873 4.340 0.000 0.000 0.249 389 Q C -0.859 175.095 176.000 -0.078 0.000 0.914 389 Q CA -0.869 54.909 55.803 -0.042 0.000 0.904 389 Q CB 0.900 29.614 28.738 -0.041 0.000 1.213 389 Q HN 0.212 nan 8.270 nan 0.000 0.428 390 R N 1.275 121.735 120.500 -0.067 0.000 2.582 390 R HA 0.349 4.689 4.340 0.000 0.000 0.271 390 R C -0.787 175.453 176.300 -0.100 0.000 1.078 390 R CA -0.497 55.553 56.100 -0.082 0.000 1.127 390 R CB 1.117 31.389 30.300 -0.047 0.000 1.038 390 R HN 0.541 nan 8.270 nan 0.000 0.500 391 V N 3.190 123.025 119.914 -0.131 0.000 2.385 391 V HA 0.197 4.317 4.120 0.000 0.000 0.269 391 V C 0.233 176.350 176.094 0.039 0.000 1.043 391 V CA -0.175 62.053 62.300 -0.120 0.000 0.906 391 V CB 0.789 32.453 31.823 -0.266 0.000 0.995 391 V HN 0.654 nan 8.190 nan 0.000 0.467 392 E N 5.931 126.197 120.200 0.109 0.000 2.243 392 E HA 0.467 4.817 4.350 0.000 0.000 0.260 392 E C -2.554 174.173 176.600 0.211 0.000 0.985 392 E CA -2.110 54.389 56.400 0.165 0.000 0.858 392 E CB 1.293 31.019 29.700 0.043 0.000 1.210 392 E HN 0.418 nan 8.360 nan 0.000 0.411 393 P HA -0.047 nan 4.420 nan 0.000 0.269 393 P C -0.441 176.761 177.300 -0.163 0.000 1.217 393 P CA 0.383 63.279 63.100 -0.339 0.000 0.783 393 P CB 0.438 31.938 31.700 -0.334 0.000 0.898 394 M N 0.788 120.266 119.600 -0.203 0.000 2.184 394 M HA 0.296 4.776 4.480 0.000 0.000 0.296 394 M C 1.181 177.424 176.300 -0.095 0.000 1.165 394 M CA 0.932 56.162 55.300 -0.117 0.000 1.175 394 M CB -0.624 31.895 32.600 -0.135 0.000 1.392 394 M HN 0.647 nan 8.290 nan 0.000 0.457 395 G N 1.106 109.865 108.800 -0.069 0.000 2.953 395 G HA2 -0.165 3.795 3.960 0.000 0.000 0.421 395 G HA3 -0.165 3.795 3.960 0.000 0.000 0.421 395 G C -2.893 171.979 174.900 -0.046 0.000 1.531 395 G CA -1.308 43.758 45.100 -0.055 0.000 0.971 395 G HN 0.482 nan 8.290 nan 0.000 0.558 396 P HA 0.374 nan 4.420 nan 0.000 0.267 396 P C 0.732 178.014 177.300 -0.030 0.000 1.200 396 P CA 0.086 63.167 63.100 -0.031 0.000 0.772 396 P CB 0.252 31.935 31.700 -0.029 0.000 0.855 397 L N -0.050 121.159 121.223 -0.024 0.000 3.295 397 L HA -0.231 4.109 4.340 0.000 0.000 0.686 397 L C -0.157 176.697 176.870 -0.026 0.000 1.088 397 L CA 0.314 55.143 54.840 -0.018 0.000 1.255 397 L CB -1.009 41.043 42.059 -0.012 0.000 1.713 397 L HN 0.529 nan 8.230 nan 0.000 0.868 398 K N 1.473 121.855 120.400 -0.030 0.000 2.095 398 K HA 0.257 4.577 4.320 0.000 0.000 0.258 398 K C 0.349 176.923 176.600 -0.043 0.000 1.120 398 K CA 0.140 56.399 56.287 -0.046 0.000 1.026 398 K CB 0.613 33.093 32.500 -0.034 0.000 1.256 398 K HN 0.312 nan 8.250 nan 0.000 0.360 399 T N 1.741 116.269 114.554 -0.044 0.000 2.901 399 T HA 0.465 4.816 4.350 0.000 0.000 0.293 399 T C -2.662 172.018 174.700 -0.033 0.000 1.084 399 T CA -2.491 59.599 62.100 -0.017 0.000 1.008 399 T CB 1.239 70.125 68.868 0.029 0.000 1.170 399 T HN 0.047 nan 8.240 nan 0.000 0.509 400 P HA 0.216 nan 4.420 nan 0.000 0.272 400 P C 0.549 177.891 177.300 0.070 0.000 1.230 400 P CA -0.458 62.628 63.100 -0.023 0.000 0.788 400 P CB 0.451 32.110 31.700 -0.067 0.000 0.949 401 L N 1.650 122.939 121.223 0.110 0.000 2.083 401 L HA 0.045 4.385 4.340 0.000 0.000 0.209 401 L C 0.812 177.912 176.870 0.385 0.000 1.083 401 L CA 1.962 56.940 54.840 0.229 0.000 0.752 401 L CB -1.045 41.195 42.059 0.302 0.000 0.899 401 L HN 0.539 nan 8.230 nan 0.000 0.433 402 F N -2.985 116.994 119.950 0.049 0.000 2.829 402 F HA 0.468 4.995 4.527 0.000 0.000 0.319 402 F C -0.947 174.864 175.800 0.018 0.000 1.153 402 F CA -1.842 56.165 58.000 0.013 0.000 0.912 402 F CB 0.320 39.318 39.000 -0.004 0.000 1.292 402 F HN 0.117 nan 8.300 nan 0.000 0.447 403 H N -0.050 118.799 119.070 -0.368 0.000 2.895 403 H HA 0.925 5.481 4.556 0.000 0.000 0.373 403 H C -1.113 174.123 175.328 -0.153 0.000 1.174 403 H CA -0.430 55.320 56.048 -0.497 0.000 1.144 403 H CB 1.937 31.483 29.762 -0.360 0.000 1.793 403 H HN 1.139 nan 8.280 nan 0.000 0.551 404 S N 0.593 116.294 115.700 0.002 0.000 2.688 404 S HA 0.364 4.834 4.470 0.000 0.000 0.275 404 S C -0.330 174.270 174.600 -0.001 0.000 1.175 404 S CA -1.234 57.020 58.200 0.090 0.000 0.818 404 S CB 1.638 65.028 63.200 0.317 0.000 1.157 404 S HN 0.717 nan 8.310 nan 0.000 0.482 405 K N -0.116 120.178 120.400 -0.177 0.000 2.469 405 K HA 0.217 4.537 4.320 0.000 0.000 0.201 405 K C -0.861 175.585 176.600 -0.255 0.000 1.028 405 K CA 0.080 56.049 56.287 -0.530 0.000 1.170 405 K CB -0.201 31.829 32.500 -0.782 0.000 0.874 405 K HN 0.452 nan 8.250 nan 0.000 0.507 406 Y N -0.219 119.986 120.300 -0.158 0.000 2.354 406 Y HA 0.088 4.638 4.550 -0.000 0.000 0.322 406 Y C 0.580 176.324 175.900 -0.261 0.000 1.253 406 Y CA -0.663 57.281 58.100 -0.260 0.000 1.272 406 Y CB 0.651 38.784 38.460 -0.544 0.000 1.255 406 Y HN 0.031 nan 8.280 nan 0.000 0.500 407 H N 2.594 121.602 119.070 -0.104 0.000 2.724 407 H HA 0.271 4.827 4.556 -0.000 0.000 0.278 407 H C -1.570 173.726 175.328 -0.052 0.000 1.159 407 H CA -1.184 54.846 56.048 -0.030 0.000 1.254 407 H CB -0.779 29.017 29.762 0.058 0.000 1.412 407 H HN 0.376 nan 8.280 nan 0.000 0.488 408 Y N 2.574 122.971 120.300 0.161 0.000 2.299 408 Y HA 0.139 4.689 4.550 -0.000 0.000 0.326 408 Y C 1.459 177.308 175.900 -0.086 0.000 1.164 408 Y CA -0.202 57.897 58.100 -0.002 0.000 1.234 408 Y CB 1.206 39.687 38.460 0.034 0.000 1.219 408 Y HN 0.640 nan 8.280 nan 0.000 0.497 409 Q N 1.102 120.944 119.800 0.070 0.000 2.322 409 Q HA 0.253 4.593 4.340 0.000 0.000 0.250 409 Q C -0.460 175.559 176.000 0.032 0.000 0.853 409 Q CA 0.252 56.053 55.803 -0.004 0.000 0.951 409 Q CB 1.090 29.786 28.738 -0.069 0.000 1.114 409 Q HN 0.537 nan 8.270 nan 0.000 0.523 410 K N 0.313 120.732 120.400 0.032 0.000 2.508 410 K HA 0.630 4.950 4.320 0.000 0.000 0.260 410 K C -1.766 174.826 176.600 -0.015 0.000 0.949 410 K CA -0.568 55.734 56.287 0.024 0.000 0.834 410 K CB 3.469 35.986 32.500 0.028 0.000 1.365 410 K HN -0.177 nan 8.250 nan 0.000 0.437 411 V N 0.740 120.650 119.914 -0.006 0.000 2.925 411 V HA 0.879 4.999 4.120 0.000 0.000 0.311 411 V C -1.783 174.194 176.094 -0.195 0.000 1.104 411 V CA -0.377 61.875 62.300 -0.080 0.000 0.954 411 V CB 1.887 33.690 31.823 -0.034 0.000 1.022 411 V HN 0.936 nan 8.190 nan 0.000 0.427 412 A N 4.969 127.541 122.820 -0.413 0.000 2.455 412 A HA 0.890 5.210 4.320 0.000 0.000 0.300 412 A C -1.619 175.471 177.584 -0.824 0.000 1.040 412 A CA -0.504 50.942 52.037 -0.984 0.000 0.697 412 A CB 2.113 20.803 19.000 -0.516 0.000 1.265 412 A HN 1.111 nan 8.150 nan 0.000 0.407 413 V N 1.948 121.088 119.914 -1.290 0.000 2.604 413 V HA 0.536 4.656 4.120 0.000 0.000 0.305 413 V C -0.810 175.312 176.094 0.047 0.000 1.043 413 V CA -0.513 61.537 62.300 -0.417 0.000 0.888 413 V CB 1.771 33.300 31.823 -0.492 0.000 0.995 413 V HN 1.004 nan 8.190 nan 0.000 0.429 414 H N 3.789 122.921 119.070 0.104 0.000 2.646 414 H HA 0.546 5.102 4.556 -0.000 0.000 0.328 414 H C -0.298 175.111 175.328 0.135 0.000 0.998 414 H CA -0.611 55.543 56.048 0.177 0.000 1.225 414 H CB 1.045 30.966 29.762 0.265 0.000 1.457 414 H HN 0.669 nan 8.280 nan 0.000 0.505 415 R N 5.928 126.304 120.500 -0.207 0.000 2.265 415 R HA 0.367 4.707 4.340 0.000 0.000 0.314 415 R C -0.695 175.260 176.300 -0.575 0.000 1.053 415 R CA -0.512 55.357 56.100 -0.384 0.000 0.931 415 R CB 0.347 30.497 30.300 -0.251 0.000 1.024 415 R HN 0.678 nan 8.270 nan 0.000 0.457 416 M N 2.731 122.062 119.600 -0.448 0.000 2.618 416 M HA 0.361 4.841 4.480 0.000 0.000 0.281 416 M C -2.029 174.156 176.300 -0.192 0.000 1.267 416 M CA -0.694 54.398 55.300 -0.347 0.000 0.845 416 M CB 2.389 34.752 32.600 -0.393 0.000 1.732 416 M HN 0.569 nan 8.290 nan 0.000 0.461 417 Q N 1.499 121.240 119.800 -0.099 0.000 2.312 417 Q HA 0.834 5.174 4.340 0.000 0.000 0.263 417 Q C -0.559 175.398 176.000 -0.072 0.000 0.995 417 Q CA -0.272 55.482 55.803 -0.082 0.000 0.853 417 Q CB 2.039 30.748 28.738 -0.049 0.000 1.300 417 Q HN 0.814 nan 8.270 nan 0.000 0.448 418 A N 1.181 123.973 122.820 -0.046 0.000 2.313 418 A HA 0.266 4.586 4.320 0.000 0.000 0.261 418 A C 1.306 178.814 177.584 -0.126 0.000 1.090 418 A CA 0.156 52.160 52.037 -0.057 0.000 0.807 418 A CB 0.471 19.536 19.000 0.107 0.000 1.055 418 A HN 0.808 nan 8.150 nan 0.000 0.492 419 S N -0.425 115.135 115.700 -0.235 0.000 2.407 419 S HA -0.191 4.279 4.470 0.000 0.000 0.235 419 S C 1.116 175.546 174.600 -0.284 0.000 1.036 419 S CA 1.835 59.847 58.200 -0.313 0.000 1.013 419 S CB -0.599 62.314 63.200 -0.479 0.000 0.820 419 S HN 0.705 nan 8.310 nan 0.000 0.476 420 H N -0.142 118.910 119.070 -0.030 0.000 2.660 420 H HA 0.341 4.897 4.556 0.000 0.000 0.310 420 H C 1.680 176.979 175.328 -0.047 0.000 1.080 420 H CA 0.320 56.348 56.048 -0.033 0.000 1.145 420 H CB -0.526 29.217 29.762 -0.031 0.000 1.432 420 H HN 0.526 nan 8.280 nan 0.000 0.542 421 G N 1.035 109.846 108.800 0.018 0.000 2.220 421 G HA2 -0.347 3.613 3.960 0.000 0.000 0.269 421 G HA3 -0.347 3.613 3.960 0.000 0.000 0.269 421 G C 0.503 175.357 174.900 -0.075 0.000 0.977 421 G CA 0.667 45.754 45.100 -0.021 0.000 0.634 421 G HN 0.465 nan 8.290 nan 0.000 0.539 422 E N 1.200 121.341 120.200 -0.098 0.000 2.398 422 E HA 0.531 4.881 4.350 0.000 0.000 0.263 422 E C 0.329 176.714 176.600 -0.358 0.000 1.046 422 E CA 0.512 56.760 56.400 -0.253 0.000 0.908 422 E CB 0.376 29.890 29.700 -0.310 0.000 0.963 422 E HN 0.150 nan 8.360 nan 0.000 0.431 423 T N 4.360 118.636 114.554 -0.463 0.000 2.794 423 T HA 0.548 4.898 4.350 0.000 0.000 0.280 423 T C -0.948 173.392 174.700 -0.600 0.000 0.987 423 T CA -0.279 61.574 62.100 -0.412 0.000 0.993 423 T CB 0.102 68.807 68.868 -0.271 0.000 0.939 423 T HN 0.273 nan 8.240 nan 0.000 0.449 424 F N 0.941 120.763 119.950 -0.214 0.000 2.588 424 F HA 0.447 4.974 4.527 0.000 0.000 0.314 424 F C 0.136 175.786 175.800 -0.250 0.000 1.069 424 F CA -1.058 56.848 58.000 -0.157 0.000 0.931 424 F CB 1.681 40.596 39.000 -0.141 0.000 1.260 424 F HN 0.544 nan 8.300 nan 0.000 0.465 425 H N 0.709 119.884 119.070 0.175 0.000 2.504 425 H HA 0.638 5.194 4.556 0.000 0.000 0.322 425 H C -0.959 174.400 175.328 0.051 0.000 1.055 425 H CA -0.602 55.502 56.048 0.094 0.000 1.231 425 H CB 1.449 31.282 29.762 0.118 0.000 1.417 425 H HN 0.266 nan 8.280 nan 0.000 0.472 426 V N 5.270 125.255 119.914 0.120 0.000 2.384 426 V HA 0.192 4.312 4.120 0.000 0.000 0.287 426 V C -0.443 175.537 176.094 -0.190 0.000 1.020 426 V CA -0.823 61.469 62.300 -0.013 0.000 0.850 426 V CB 1.042 32.947 31.823 0.136 0.000 0.987 426 V HN 0.469 nan 8.190 nan 0.000 0.436 427 L N 5.534 126.544 121.223 -0.355 0.000 2.312 427 L HA 0.475 4.815 4.340 0.000 0.000 0.281 427 L C -0.706 175.752 176.870 -0.687 0.000 1.070 427 L CA 0.009 54.606 54.840 -0.404 0.000 0.805 427 L CB 0.496 42.396 42.059 -0.265 0.000 1.174 427 L HN 0.484 nan 8.230 nan 0.000 0.434 428 Y N 4.045 124.192 120.300 -0.254 0.000 2.345 428 Y HA 0.627 5.177 4.550 -0.000 0.000 0.331 428 Y C -0.549 175.196 175.900 -0.259 0.000 0.959 428 Y CA -0.526 57.426 58.100 -0.247 0.000 1.204 428 Y CB 1.131 39.434 38.460 -0.262 0.000 1.135 428 Y HN 0.322 nan 8.280 nan 0.000 0.477 429 L N 3.607 124.704 121.223 -0.209 0.000 2.362 429 L HA 0.616 4.956 4.340 0.000 0.000 0.275 429 L C 0.012 176.779 176.870 -0.172 0.000 0.998 429 L CA -0.909 53.761 54.840 -0.282 0.000 0.820 429 L CB 2.204 43.826 42.059 -0.727 0.000 1.270 429 L HN 0.581 nan 8.230 nan 0.000 0.415 430 T N -1.635 112.874 114.554 -0.075 0.000 2.882 430 T HA 0.573 4.923 4.350 0.000 0.000 0.287 430 T C 0.278 175.016 174.700 0.062 0.000 0.992 430 T CA -0.653 61.430 62.100 -0.029 0.000 1.076 430 T CB 1.363 70.223 68.868 -0.013 0.000 0.961 430 T HN 0.657 nan 8.240 nan 0.000 0.490 431 T N -0.606 113.956 114.554 0.013 0.000 2.884 431 T HA 0.361 4.711 4.350 0.000 0.000 0.277 431 T C 0.613 175.311 174.700 -0.003 0.000 0.976 431 T CA -0.497 61.614 62.100 0.019 0.000 0.956 431 T CB 0.958 69.800 68.868 -0.044 0.000 1.113 431 T HN 0.693 nan 8.240 nan 0.000 0.554 432 D N -1.012 119.381 120.400 -0.012 0.000 2.319 432 D HA 0.013 4.653 4.640 0.000 0.000 0.230 432 D C 1.079 177.414 176.300 0.058 0.000 1.094 432 D CA -0.211 53.784 54.000 -0.008 0.000 0.856 432 D CB 0.009 40.792 40.800 -0.028 0.000 0.915 432 D HN 0.323 nan 8.370 nan 0.000 0.517 433 R N -0.019 120.525 120.500 0.074 0.000 2.468 433 R HA 0.274 4.614 4.340 0.000 0.000 0.280 433 R C 1.081 177.438 176.300 0.096 0.000 0.963 433 R CA 0.405 56.565 56.100 0.099 0.000 1.083 433 R CB 0.240 30.621 30.300 0.134 0.000 1.200 433 R HN 0.313 nan 8.270 nan 0.000 0.541 434 G N 1.849 110.697 108.800 0.080 0.000 2.147 434 G HA2 -0.296 3.664 3.960 0.000 0.000 0.244 434 G HA3 -0.296 3.664 3.960 0.000 0.000 0.244 434 G C 0.265 175.177 174.900 0.019 0.000 1.005 434 G CA 0.863 46.025 45.100 0.103 0.000 0.713 434 G HN 0.443 nan 8.290 nan 0.000 0.515 435 T N -2.060 112.487 114.554 -0.012 0.000 2.926 435 T HA 0.815 5.165 4.350 0.000 0.000 0.289 435 T C -0.082 174.561 174.700 -0.095 0.000 1.054 435 T CA -0.995 61.070 62.100 -0.059 0.000 1.015 435 T CB 2.668 71.539 68.868 0.006 0.000 1.167 435 T HN 0.552 nan 8.240 nan 0.000 0.526 436 I N 0.618 121.132 120.570 -0.094 0.000 2.509 436 I HA 0.409 4.579 4.170 0.000 0.000 0.293 436 I C -0.198 175.937 176.117 0.031 0.000 1.020 436 I CA -0.956 60.292 61.300 -0.086 0.000 1.088 436 I CB 1.864 39.782 38.000 -0.137 0.000 1.267 436 I HN 0.664 nan 8.210 nan 0.000 0.430 437 H N 4.473 123.423 119.070 -0.200 0.000 2.495 437 H HA 0.348 4.904 4.556 0.000 0.000 0.348 437 H C -0.848 174.281 175.328 -0.331 0.000 1.113 437 H CA -1.008 54.881 56.048 -0.265 0.000 1.195 437 H CB 2.456 32.082 29.762 -0.227 0.000 1.521 437 H HN 0.366 nan 8.280 nan 0.000 0.509 438 K N 3.920 124.164 120.400 -0.261 0.000 2.347 438 K HA 0.331 4.651 4.320 0.000 0.000 0.262 438 K C -1.433 174.949 176.600 -0.363 0.000 1.052 438 K CA -0.483 55.554 56.287 -0.416 0.000 0.946 438 K CB 0.544 32.849 32.500 -0.324 0.000 1.220 438 K HN 0.269 nan 8.250 nan 0.000 0.450 439 V N 4.146 123.814 119.914 -0.410 0.000 2.513 439 V HA 0.348 4.468 4.120 0.000 0.000 0.299 439 V C -0.293 175.629 176.094 -0.285 0.000 1.035 439 V CA -1.047 61.031 62.300 -0.371 0.000 0.889 439 V CB 1.781 33.276 31.823 -0.547 0.000 0.988 439 V HN 0.426 nan 8.190 nan 0.000 0.440 440 V N 3.458 123.266 119.914 -0.177 0.000 2.383 440 V HA 0.276 4.396 4.120 0.000 0.000 0.275 440 V C 0.404 176.473 176.094 -0.042 0.000 1.036 440 V CA -0.475 61.765 62.300 -0.100 0.000 0.889 440 V CB 1.283 33.027 31.823 -0.131 0.000 0.985 440 V HN 1.004 nan 8.190 nan 0.000 0.459 441 E N 7.771 127.992 120.200 0.035 0.000 2.413 441 E HA 0.130 4.480 4.350 0.000 0.000 0.263 441 E C -2.120 174.554 176.600 0.125 0.000 1.015 441 E CA -1.153 55.302 56.400 0.092 0.000 0.916 441 E CB 0.830 30.633 29.700 0.171 0.000 0.947 441 E HN 0.485 nan 8.360 nan 0.000 0.440 442 P HA 0.116 nan 4.420 nan 0.000 0.274 442 P C -0.399 176.950 177.300 0.081 0.000 1.237 442 P CA -0.231 62.927 63.100 0.096 0.000 0.793 442 P CB 1.658 33.410 31.700 0.087 0.000 0.977 443 G N 1.281 110.114 108.800 0.056 0.000 2.463 443 G HA2 0.050 4.010 3.960 0.000 0.000 0.211 443 G HA3 0.050 4.010 3.960 0.000 0.000 0.211 443 G C 0.784 175.679 174.900 -0.007 0.000 1.881 443 G CA 0.091 45.212 45.100 0.034 0.000 0.722 443 G HN 0.399 nan 8.290 nan 0.000 0.709 444 E N 0.240 120.431 120.200 -0.016 0.000 1.905 444 E HA 0.089 4.439 4.350 0.000 0.000 0.218 444 E C 1.418 177.989 176.600 -0.049 0.000 0.928 444 E CA 1.171 57.555 56.400 -0.026 0.000 0.928 444 E CB -0.129 29.565 29.700 -0.010 0.000 0.815 444 E HN 0.458 nan 8.360 nan 0.000 0.590 445 Q N -1.816 117.939 119.800 -0.074 0.000 3.224 445 Q HA 0.082 4.422 4.340 0.000 0.000 0.357 445 Q C 1.055 176.900 176.000 -0.259 0.000 0.848 445 Q CA -0.109 55.617 55.803 -0.128 0.000 0.841 445 Q CB 0.548 29.224 28.738 -0.102 0.000 1.776 445 Q HN 0.364 nan 8.270 nan 0.000 0.406 446 E N 0.296 120.305 120.200 -0.319 0.000 2.253 446 E HA -0.294 4.056 4.350 0.000 0.000 0.202 446 E C 0.959 177.162 176.600 -0.660 0.000 1.014 446 E CA 1.713 57.839 56.400 -0.458 0.000 0.823 446 E CB -0.159 29.322 29.700 -0.366 0.000 0.736 446 E HN 0.520 nan 8.360 nan 0.000 0.478 447 H N 0.937 119.829 119.070 -0.297 0.000 2.529 447 H HA 0.076 4.632 4.556 0.000 0.000 0.277 447 H C 0.871 176.001 175.328 -0.329 0.000 0.999 447 H CA 1.086 57.001 56.048 -0.222 0.000 1.256 447 H CB 0.165 29.875 29.762 -0.087 0.000 1.402 447 H HN 0.218 nan 8.280 nan 0.000 0.566 448 S N 0.381 115.873 115.700 -0.348 0.000 2.489 448 S HA 0.547 5.017 4.470 0.000 0.000 0.291 448 S C -0.663 173.645 174.600 -0.488 0.000 1.151 448 S CA -0.672 57.373 58.200 -0.257 0.000 1.082 448 S CB 1.307 64.451 63.200 -0.094 0.000 1.019 448 S HN -0.020 nan 8.310 nan 0.000 0.492 449 F N 0.259 120.276 119.950 0.112 0.000 2.629 449 F HA 0.728 5.255 4.527 -0.000 0.000 0.316 449 F C 0.477 176.328 175.800 0.085 0.000 1.081 449 F CA -1.112 56.948 58.000 0.099 0.000 0.954 449 F CB 1.536 40.609 39.000 0.122 0.000 1.337 449 F HN 0.879 nan 8.300 nan 0.000 0.474 450 A N 1.185 124.158 122.820 0.256 0.000 2.483 450 A HA 0.408 4.728 4.320 0.000 0.000 0.238 450 A C -1.297 176.313 177.584 0.044 0.000 1.070 450 A CA 0.244 52.290 52.037 0.016 0.000 0.770 450 A CB -0.214 18.617 19.000 -0.282 0.000 1.008 450 A HN 0.573 nan 8.150 nan 0.000 0.497 451 F N 2.559 122.400 119.950 -0.181 0.000 2.496 451 F HA 0.318 4.845 4.527 -0.000 0.000 0.341 451 F C 0.089 175.766 175.800 -0.206 0.000 1.134 451 F CA -0.793 57.128 58.000 -0.131 0.000 0.968 451 F CB 1.333 40.278 39.000 -0.092 0.000 1.205 451 F HN 0.603 nan 8.300 nan 0.000 0.436 452 N N 6.913 125.362 118.700 -0.419 0.000 2.482 452 N HA 0.094 4.834 4.740 0.000 0.000 0.242 452 N C 1.090 176.378 175.510 -0.371 0.000 1.100 452 N CA -0.016 52.810 53.050 -0.374 0.000 0.946 452 N CB 0.384 38.669 38.487 -0.337 0.000 1.227 452 N HN 0.819 nan 8.380 nan 0.000 0.508 453 I N 0.556 121.014 120.570 -0.187 0.000 2.876 453 I HA 0.206 4.376 4.170 0.000 0.000 0.264 453 I C 0.661 176.694 176.117 -0.140 0.000 1.204 453 I CA 0.498 61.752 61.300 -0.076 0.000 1.485 453 I CB 0.130 38.172 38.000 0.070 0.000 1.103 453 I HN 0.358 nan 8.210 nan 0.000 0.446 454 M N 1.008 120.457 119.600 -0.253 0.000 2.605 454 M HA 0.350 4.830 4.480 0.000 0.000 0.281 454 M C -2.108 173.943 176.300 -0.415 0.000 1.166 454 M CA -0.477 54.655 55.300 -0.280 0.000 0.875 454 M CB 2.595 35.121 32.600 -0.123 0.000 1.732 454 M HN 0.177 nan 8.290 nan 0.000 0.504 455 E N 3.162 123.079 120.200 -0.472 0.000 2.238 455 E HA 0.754 5.104 4.350 0.000 0.000 0.267 455 E C -2.065 174.381 176.600 -0.255 0.000 0.887 455 E CA -0.716 55.435 56.400 -0.415 0.000 0.769 455 E CB 2.641 31.928 29.700 -0.690 0.000 1.187 455 E HN 0.730 nan 8.360 nan 0.000 0.416 456 I N 2.424 122.893 120.570 -0.169 0.000 2.722 456 I HA 0.221 4.391 4.170 0.000 0.000 0.295 456 I C -1.576 174.462 176.117 -0.133 0.000 1.161 456 I CA -0.607 60.596 61.300 -0.162 0.000 1.032 456 I CB 2.022 39.861 38.000 -0.268 0.000 1.244 456 I HN 0.451 nan 8.210 nan 0.000 0.421 457 Q N 8.606 128.364 119.800 -0.070 0.000 2.430 457 Q HA 0.413 4.753 4.340 0.000 0.000 0.245 457 Q C -2.182 173.763 176.000 -0.091 0.000 1.021 457 Q CA -1.966 53.800 55.803 -0.062 0.000 0.867 457 Q CB 1.542 30.310 28.738 0.050 0.000 1.210 457 Q HN 0.476 nan 8.270 nan 0.000 0.487 458 P HA 0.080 nan 4.420 nan 0.000 0.249 458 P C -0.392 176.837 177.300 -0.119 0.000 1.229 458 P CA 0.230 63.164 63.100 -0.276 0.000 0.788 458 P CB 0.214 31.583 31.700 -0.552 0.000 1.072 459 F N -0.240 119.795 119.950 0.142 0.000 2.483 459 F HA 0.486 5.013 4.527 -0.000 0.000 0.329 459 F C 2.144 178.013 175.800 0.116 0.000 1.064 459 F CA -1.482 56.594 58.000 0.127 0.000 0.986 459 F CB 0.668 39.743 39.000 0.124 0.000 1.218 459 F HN -0.345 nan 8.300 nan 0.000 0.484 460 R N 0.398 121.084 120.500 0.310 0.000 2.092 460 R HA 0.082 4.422 4.340 0.000 0.000 0.231 460 R C 0.074 176.486 176.300 0.185 0.000 1.119 460 R CA 1.173 57.373 56.100 0.167 0.000 0.970 460 R CB 0.193 30.549 30.300 0.094 0.000 0.864 460 R HN 0.573 nan 8.270 nan 0.000 0.440 461 R N 0.571 121.225 120.500 0.257 0.000 2.288 461 R HA 0.330 4.670 4.340 0.000 0.000 0.326 461 R C -1.061 175.487 176.300 0.412 0.000 0.959 461 R CA -0.449 55.827 56.100 0.293 0.000 0.834 461 R CB 1.942 32.410 30.300 0.280 0.000 1.157 461 R HN 0.190 nan 8.270 nan 0.000 0.470 462 A N 2.573 125.602 122.820 0.347 0.000 2.566 462 A HA 0.427 4.747 4.320 0.000 0.000 0.245 462 A C -0.072 177.702 177.584 0.317 0.000 1.056 462 A CA 0.535 52.779 52.037 0.344 0.000 0.757 462 A CB 0.127 19.269 19.000 0.237 0.000 0.979 462 A HN 0.822 nan 8.150 nan 0.000 0.508 463 A N 1.756 124.774 122.820 0.330 0.000 2.581 463 A HA 0.811 5.131 4.320 0.000 0.000 0.290 463 A C -0.028 177.660 177.584 0.173 0.000 1.119 463 A CA -0.143 51.951 52.037 0.094 0.000 0.670 463 A CB 0.177 19.043 19.000 -0.224 0.000 1.280 463 A HN 2.417 nan 8.150 nan 0.000 0.425 464 A N 0.213 123.050 122.820 0.029 0.000 2.440 464 A HA 0.558 4.878 4.320 0.000 0.000 0.251 464 A C -0.028 177.639 177.584 0.137 0.000 1.089 464 A CA -0.075 52.005 52.037 0.071 0.000 0.779 464 A CB -0.425 18.572 19.000 -0.004 0.000 1.022 464 A HN 0.699 nan 8.150 nan 0.000 0.492 465 I N 2.801 123.489 120.570 0.197 0.000 2.421 465 I HA 0.004 4.174 4.170 0.000 0.000 0.291 465 I C 1.225 177.413 176.117 0.118 0.000 1.089 465 I CA 0.065 61.506 61.300 0.236 0.000 1.354 465 I CB 0.861 38.954 38.000 0.154 0.000 1.413 465 I HN 0.801 nan 8.210 nan 0.000 0.513 466 Q N 3.915 123.777 119.800 0.103 0.000 2.250 466 Q HA 0.037 4.377 4.340 0.000 0.000 0.200 466 Q C 0.591 176.646 176.000 0.092 0.000 0.941 466 Q CA 0.831 56.675 55.803 0.068 0.000 0.872 466 Q CB 0.437 29.200 28.738 0.041 0.000 0.965 466 Q HN 0.831 nan 8.270 nan 0.000 0.480 467 T N -2.260 112.362 114.554 0.113 0.000 2.868 467 T HA 0.656 5.006 4.350 0.000 0.000 0.306 467 T C -0.951 173.806 174.700 0.095 0.000 1.224 467 T CA -0.857 61.310 62.100 0.112 0.000 1.012 467 T CB 2.306 71.254 68.868 0.133 0.000 1.221 467 T HN 0.083 nan 8.240 nan 0.000 0.499 468 M N 2.487 122.133 119.600 0.078 0.000 2.322 468 M HA 0.580 5.060 4.480 0.000 0.000 0.286 468 M C -1.841 174.486 176.300 0.046 0.000 1.111 468 M CA -0.343 54.977 55.300 0.034 0.000 0.941 468 M CB 2.039 34.638 32.600 -0.001 0.000 1.671 468 M HN 1.030 nan 8.290 nan 0.000 0.470 469 S N 4.427 120.141 115.700 0.023 0.000 2.677 469 S HA 0.585 5.055 4.470 0.000 0.000 0.283 469 S C -1.322 173.273 174.600 -0.009 0.000 1.159 469 S CA -0.912 57.319 58.200 0.051 0.000 1.001 469 S CB 1.780 65.026 63.200 0.077 0.000 1.032 469 S HN 0.821 nan 8.310 nan 0.000 0.487 470 L N 2.631 123.841 121.223 -0.022 0.000 2.265 470 L HA 0.583 4.923 4.340 0.000 0.000 0.288 470 L C -0.618 176.244 176.870 -0.014 0.000 1.058 470 L CA 0.212 54.975 54.840 -0.128 0.000 0.809 470 L CB 0.755 42.697 42.059 -0.195 0.000 1.179 470 L HN 0.823 nan 8.230 nan 0.000 0.429 471 D N 4.194 124.561 120.400 -0.055 0.000 2.485 471 D HA 0.327 4.967 4.640 0.000 0.000 0.229 471 D C 0.747 177.013 176.300 -0.057 0.000 1.101 471 D CA 0.146 54.178 54.000 0.052 0.000 0.906 471 D CB 1.677 42.597 40.800 0.200 0.000 1.019 471 D HN 0.723 nan 8.370 nan 0.000 0.516 472 A N 3.524 126.331 122.820 -0.021 0.000 2.121 472 A HA -0.127 4.193 4.320 0.000 0.000 0.218 472 A C 1.860 179.446 177.584 0.003 0.000 1.154 472 A CA 1.095 53.102 52.037 -0.050 0.000 0.679 472 A CB -0.136 18.976 19.000 0.187 0.000 0.795 472 A HN 0.539 nan 8.150 nan 0.000 0.458 473 E N 0.423 120.642 120.200 0.030 0.000 2.028 473 E HA -0.083 4.267 4.350 0.000 0.000 0.190 473 E C 1.922 178.518 176.600 -0.006 0.000 0.984 473 E CA 1.239 57.655 56.400 0.026 0.000 0.800 473 E CB -0.113 29.619 29.700 0.053 0.000 0.758 473 E HN 0.549 nan 8.360 nan 0.000 0.448 474 R N -0.355 120.153 120.500 0.014 0.000 2.317 474 R HA 0.212 4.552 4.340 0.000 0.000 0.208 474 R C -0.135 176.122 176.300 -0.071 0.000 0.914 474 R CA 0.071 56.172 56.100 0.002 0.000 1.060 474 R CB 0.250 30.601 30.300 0.084 0.000 1.015 474 R HN -0.052 nan 8.270 nan 0.000 0.498 475 R N 1.197 121.616 120.500 -0.136 0.000 3.333 475 R HA -0.146 4.194 4.340 0.000 0.000 0.256 475 R C -0.895 175.249 176.300 -0.260 0.000 1.010 475 R CA 0.844 56.824 56.100 -0.200 0.000 0.680 475 R CB -1.374 28.879 30.300 -0.079 0.000 1.102 475 R HN 0.115 nan 8.270 nan 0.000 0.440 476 K N -0.271 119.936 120.400 -0.321 0.000 2.444 476 K HA 0.605 4.925 4.320 0.000 0.000 0.252 476 K C -0.811 175.421 176.600 -0.614 0.000 0.993 476 K CA -1.221 54.777 56.287 -0.481 0.000 0.847 476 K CB 2.048 34.233 32.500 -0.525 0.000 1.340 476 K HN -0.049 nan 8.250 nan 0.000 0.446 477 L N 1.728 122.493 121.223 -0.764 0.000 2.376 477 L HA 0.391 4.731 4.340 0.000 0.000 0.275 477 L C -1.626 174.786 176.870 -0.764 0.000 0.987 477 L CA -0.455 53.984 54.840 -0.669 0.000 0.828 477 L CB 0.851 42.530 42.059 -0.634 0.000 1.249 477 L HN 0.422 nan 8.230 nan 0.000 0.409 478 Y N 4.325 124.404 120.300 -0.369 0.000 2.341 478 Y HA 0.620 5.170 4.550 0.000 0.000 0.340 478 Y C -0.078 175.695 175.900 -0.212 0.000 0.997 478 Y CA -0.507 57.384 58.100 -0.349 0.000 1.149 478 Y CB 1.496 39.705 38.460 -0.419 0.000 1.171 478 Y HN 0.262 nan 8.280 nan 0.000 0.494 479 V N 3.072 122.949 119.914 -0.063 0.000 2.735 479 V HA 0.674 4.794 4.120 0.000 0.000 0.310 479 V C -0.556 175.655 176.094 0.196 0.000 1.061 479 V CA -0.863 61.465 62.300 0.046 0.000 0.913 479 V CB 2.055 33.854 31.823 -0.041 0.000 1.005 479 V HN 0.786 nan 8.190 nan 0.000 0.428 480 S N 2.190 118.024 115.700 0.224 0.000 2.570 480 S HA 0.918 5.388 4.470 0.000 0.000 0.286 480 S C -0.370 174.278 174.600 0.080 0.000 1.099 480 S CA -0.071 58.217 58.200 0.147 0.000 0.913 480 S CB 2.202 65.474 63.200 0.120 0.000 1.085 480 S HN 1.182 nan 8.310 nan 0.000 0.480 481 S N 0.572 116.140 115.700 -0.221 0.000 2.921 481 S HA 0.383 4.853 4.470 0.000 0.000 0.315 481 S C 0.796 175.326 174.600 -0.117 0.000 1.087 481 S CA -0.211 57.780 58.200 -0.348 0.000 0.877 481 S CB 0.528 63.135 63.200 -0.990 0.000 1.340 481 S HN 0.954 nan 8.310 nan 0.000 0.622 482 Q N -0.847 118.787 119.800 -0.277 0.000 2.451 482 Q HA 0.120 4.460 4.340 0.000 0.000 0.206 482 Q C 0.323 176.352 176.000 0.049 0.000 0.947 482 Q CA 0.381 56.054 55.803 -0.218 0.000 0.937 482 Q CB -0.079 28.353 28.738 -0.510 0.000 1.025 482 Q HN 0.790 nan 8.270 nan 0.000 0.511 483 W N 1.459 122.830 121.300 0.119 0.000 2.873 483 W HA 0.311 4.971 4.660 0.000 0.000 0.282 483 W C 0.605 177.023 176.519 -0.170 0.000 1.118 483 W CA 0.130 57.552 57.345 0.128 0.000 1.480 483 W CB 0.591 30.039 29.460 -0.020 0.000 0.954 483 W HN 0.297 nan 8.180 nan 0.000 0.591 484 E N -0.739 119.298 120.200 -0.273 0.000 2.454 484 E HA 0.529 4.879 4.350 0.000 0.000 0.279 484 E C -1.598 174.648 176.600 -0.590 0.000 1.029 484 E CA -0.670 55.377 56.400 -0.588 0.000 0.831 484 E CB 2.505 32.081 29.700 -0.207 0.000 1.405 484 E HN -0.296 nan 8.360 nan 0.000 0.463 485 V N 0.693 120.310 119.914 -0.495 0.000 2.656 485 V HA 0.604 4.724 4.120 0.000 0.000 0.307 485 V C -0.877 175.185 176.094 -0.054 0.000 1.051 485 V CA -0.590 61.499 62.300 -0.351 0.000 0.893 485 V CB 1.746 33.060 31.823 -0.848 0.000 0.999 485 V HN 0.693 nan 8.190 nan 0.000 0.426 486 S N 3.370 119.093 115.700 0.039 0.000 2.538 486 S HA 0.489 4.959 4.470 0.000 0.000 0.288 486 S C -0.966 173.509 174.600 -0.209 0.000 1.108 486 S CA -0.564 57.672 58.200 0.060 0.000 0.971 486 S CB 1.769 65.118 63.200 0.247 0.000 1.041 486 S HN 0.811 nan 8.310 nan 0.000 0.483 487 Q N 4.108 123.717 119.800 -0.317 0.000 2.360 487 Q HA 0.549 4.889 4.340 0.000 0.000 0.254 487 Q C -1.475 174.328 176.000 -0.329 0.000 0.975 487 Q CA -0.571 54.846 55.803 -0.643 0.000 0.912 487 Q CB 0.930 29.192 28.738 -0.793 0.000 1.212 487 Q HN 0.580 nan 8.270 nan 0.000 0.452 488 V N 6.720 126.307 119.914 -0.545 0.000 2.370 488 V HA 0.400 4.520 4.120 0.000 0.000 0.283 488 V C -2.249 173.514 176.094 -0.552 0.000 1.023 488 V CA -2.113 59.824 62.300 -0.605 0.000 0.857 488 V CB 1.297 32.684 31.823 -0.726 0.000 0.985 488 V HN 0.808 nan 8.190 nan 0.000 0.443 489 P HA 0.172 nan 4.420 nan 0.000 0.271 489 P C 0.400 177.454 177.300 -0.411 0.000 1.216 489 P CA -0.246 62.662 63.100 -0.320 0.000 0.771 489 P CB 0.803 32.414 31.700 -0.147 0.000 0.864 490 L N 2.247 123.220 121.223 -0.418 0.000 2.313 490 L HA -0.026 4.314 4.340 0.000 0.000 0.214 490 L C 0.927 177.380 176.870 -0.695 0.000 1.119 490 L CA 1.620 56.111 54.840 -0.582 0.000 0.809 490 L CB -0.910 40.812 42.059 -0.562 0.000 0.933 490 L HN 0.386 nan 8.230 nan 0.000 0.449 491 D N -0.845 119.375 120.400 -0.300 0.000 3.163 491 D HA 0.145 4.785 4.640 0.000 0.000 0.284 491 D C -0.035 176.230 176.300 -0.059 0.000 1.368 491 D CA -0.352 53.593 54.000 -0.092 0.000 0.895 491 D CB -0.118 40.788 40.800 0.177 0.000 1.061 491 D HN -0.055 nan 8.370 nan 0.000 0.496 492 L N 0.240 121.375 121.223 -0.148 0.000 2.265 492 L HA 0.341 4.681 4.340 0.000 0.000 0.288 492 L C -0.133 176.700 176.870 -0.063 0.000 1.058 492 L CA -0.166 54.595 54.840 -0.132 0.000 0.809 492 L CB 1.225 43.096 42.059 -0.314 0.000 1.179 492 L HN 0.325 nan 8.230 nan 0.000 0.429 493 c N 2.614 121.211 118.600 -0.005 0.000 3.865 493 c HA 0.164 4.734 4.570 0.000 0.000 0.297 493 c C 1.495 175.600 174.090 0.024 0.000 1.758 493 c CA -0.210 56.169 56.329 0.084 0.000 1.778 493 c CB -0.390 42.278 42.510 0.263 0.000 3.158 493 c HN 0.930 nan 8.230 nan 0.000 0.598 494 E N 1.164 121.349 120.200 -0.024 0.000 2.418 494 E HA -0.070 4.280 4.350 0.000 0.000 0.197 494 E C 1.690 178.254 176.600 -0.061 0.000 1.026 494 E CA 0.775 57.174 56.400 -0.002 0.000 0.862 494 E CB 0.029 29.736 29.700 0.010 0.000 0.799 494 E HN 0.472 nan 8.360 nan 0.000 0.518 495 V N 0.718 120.492 119.914 -0.234 0.000 2.515 495 V HA -0.186 3.934 4.120 0.000 0.000 0.250 495 V C 0.409 176.294 176.094 -0.348 0.000 1.058 495 V CA 1.155 63.238 62.300 -0.362 0.000 1.064 495 V CB -0.567 30.889 31.823 -0.611 0.000 0.675 495 V HN 0.242 nan 8.190 nan 0.000 0.461 496 Y N 0.462 120.792 120.300 0.050 0.000 2.404 496 Y HA 0.600 5.150 4.550 -0.000 0.000 0.344 496 Y C 1.007 176.969 175.900 0.105 0.000 0.995 496 Y CA -0.475 57.664 58.100 0.066 0.000 1.201 496 Y CB 0.704 39.199 38.460 0.059 0.000 1.151 496 Y HN -0.039 nan 8.280 nan 0.000 0.517 497 G N 1.234 110.162 108.800 0.213 0.000 3.969 497 G HA2 0.219 4.179 3.960 0.000 0.000 0.291 497 G HA3 0.219 4.179 3.960 0.000 0.000 0.291 497 G C 0.862 175.869 174.900 0.179 0.000 1.016 497 G CA -0.207 45.009 45.100 0.194 0.000 0.819 497 G HN 0.882 nan 8.290 nan 0.000 0.493 498 G N 0.592 109.496 108.800 0.173 0.000 3.452 498 G HA2 0.497 4.457 3.960 0.000 0.000 0.258 498 G HA3 0.497 4.457 3.960 0.000 0.000 0.258 498 G C 1.079 176.036 174.900 0.095 0.000 1.305 498 G CA 0.531 45.711 45.100 0.134 0.000 1.514 498 G HN 1.101 nan 8.290 nan 0.000 0.593 499 G N -0.794 108.062 108.800 0.093 0.000 2.601 499 G HA2 -0.354 3.606 3.960 0.000 0.000 0.252 499 G HA3 -0.354 3.606 3.960 0.000 0.000 0.252 499 G C 1.434 176.057 174.900 -0.461 0.000 1.294 499 G CA 0.093 45.135 45.100 -0.098 0.000 0.912 499 G HN 0.857 nan 8.290 nan 0.000 0.574 500 c N -0.580 117.392 118.600 -1.046 0.000 2.429 500 c HA -0.006 4.564 4.570 0.000 0.000 0.277 500 c C 2.542 176.320 174.090 -0.520 0.000 1.262 500 c CA 2.132 57.707 56.329 -1.258 0.000 1.733 500 c CB -1.852 39.824 42.510 -1.391 0.000 2.010 500 c HN 0.646 nan 8.230 nan 0.000 0.483 501 H N -0.256 118.649 119.070 -0.276 0.000 2.353 501 H HA -0.058 4.498 4.556 0.000 0.000 0.300 501 H C 2.490 177.732 175.328 -0.143 0.000 1.090 501 H CA 1.851 57.807 56.048 -0.154 0.000 1.327 501 H CB -0.902 28.836 29.762 -0.040 0.000 1.383 501 H HN 0.632 nan 8.280 nan 0.000 0.508 502 G N 0.269 109.100 108.800 0.051 0.000 2.421 502 G HA2 -0.279 3.681 3.960 0.000 0.000 0.216 502 G HA3 -0.279 3.681 3.960 0.000 0.000 0.216 502 G C 2.104 177.021 174.900 0.028 0.000 1.171 502 G CA 0.861 45.998 45.100 0.062 0.000 0.775 502 G HN 0.496 nan 8.290 nan 0.000 0.543 503 c N 0.370 119.010 118.600 0.067 0.000 2.398 503 c HA 0.006 4.576 4.570 0.000 0.000 0.276 503 c C 2.932 176.971 174.090 -0.084 0.000 1.222 503 c CA 1.145 57.522 56.329 0.080 0.000 1.746 503 c CB -1.040 41.646 42.510 0.294 0.000 2.039 503 c HN 0.408 nan 8.230 nan 0.000 0.470 504 L N -0.231 120.935 121.223 -0.096 0.000 2.179 504 L HA -0.035 4.305 4.340 0.000 0.000 0.208 504 L C 2.617 179.372 176.870 -0.190 0.000 1.096 504 L CA 0.801 55.557 54.840 -0.141 0.000 0.779 504 L CB -0.728 41.253 42.059 -0.130 0.000 0.922 504 L HN 0.312 nan 8.230 nan 0.000 0.443 505 M N 0.154 119.642 119.600 -0.185 0.000 2.549 505 M HA -0.100 4.380 4.480 0.000 0.000 0.260 505 M C 2.534 178.729 176.300 -0.174 0.000 1.076 505 M CA 1.292 56.473 55.300 -0.198 0.000 1.090 505 M CB -0.916 31.562 32.600 -0.203 0.000 1.418 505 M HN 0.371 nan 8.290 nan 0.000 0.486 506 S N -0.009 115.537 115.700 -0.256 0.000 2.447 506 S HA -0.123 4.347 4.470 0.000 0.000 0.233 506 S C 1.191 175.602 174.600 -0.316 0.000 1.006 506 S CA 0.654 58.630 58.200 -0.373 0.000 0.957 506 S CB -0.169 62.425 63.200 -1.010 0.000 0.773 506 S HN 0.467 nan 8.310 nan 0.000 0.507 507 R N 0.667 120.952 120.500 -0.358 0.000 3.953 507 R HA -0.123 4.217 4.340 0.000 0.000 0.340 507 R C -0.745 175.325 176.300 -0.384 0.000 1.195 507 R CA 1.090 56.929 56.100 -0.434 0.000 0.929 507 R CB -2.523 27.345 30.300 -0.721 0.000 1.402 507 R HN 0.593 nan 8.270 nan 0.000 0.540 508 D N 0.435 120.625 120.400 -0.351 0.000 2.393 508 D HA 0.104 4.744 4.640 0.000 0.000 0.232 508 D C -1.004 175.184 176.300 -0.187 0.000 1.192 508 D CA -2.127 51.740 54.000 -0.221 0.000 0.882 508 D CB 0.919 41.591 40.800 -0.214 0.000 1.038 508 D HN 0.051 nan 8.370 nan 0.000 0.499 509 P HA -0.188 nan 4.420 nan 0.000 0.222 509 P C 0.793 177.943 177.300 -0.250 0.000 1.142 509 P CA 0.926 63.835 63.100 -0.318 0.000 0.788 509 P CB -0.046 31.355 31.700 -0.499 0.000 0.767 510 Y N -0.837 119.380 120.300 -0.138 0.000 2.583 510 Y HA 0.036 4.586 4.550 -0.000 0.000 0.293 510 Y C 1.547 177.340 175.900 -0.178 0.000 1.157 510 Y CA -0.141 57.867 58.100 -0.152 0.000 1.315 510 Y CB -0.065 38.370 38.460 -0.041 0.000 1.021 510 Y HN 0.041 nan 8.280 nan 0.000 0.536 511 c N -1.652 116.939 118.600 -0.015 0.000 3.291 511 c HA 0.903 5.473 4.570 0.000 0.000 0.316 511 c C 0.582 174.640 174.090 -0.054 0.000 1.391 511 c CA -0.890 55.422 56.329 -0.029 0.000 1.394 511 c CB 1.382 43.927 42.510 0.059 0.000 1.744 511 c HN 0.373 nan 8.230 nan 0.000 0.461 512 G N -0.737 108.051 108.800 -0.021 0.000 2.645 512 G HA2 0.588 4.548 3.960 0.000 0.000 0.292 512 G HA3 0.588 4.548 3.960 0.000 0.000 0.292 512 G C -2.052 172.904 174.900 0.094 0.000 1.415 512 G CA -0.301 44.811 45.100 0.020 0.000 0.785 512 G HN 0.821 nan 8.290 nan 0.000 0.483 513 W N 1.239 122.510 121.300 -0.048 0.000 2.338 513 W HA 0.611 5.271 4.660 0.000 0.000 0.307 513 W C -1.408 175.098 176.519 -0.022 0.000 1.167 513 W CA 0.256 57.584 57.345 -0.028 0.000 1.208 513 W CB 1.518 30.954 29.460 -0.040 0.000 1.228 513 W HN 0.598 nan 8.180 nan 0.000 0.499 514 D N 3.133 123.188 120.400 -0.574 0.000 2.745 514 D HA 0.046 4.686 4.640 0.000 0.000 0.221 514 D C -0.460 175.560 176.300 -0.466 0.000 1.237 514 D CA -0.058 53.724 54.000 -0.363 0.000 0.781 514 D CB 1.109 41.810 40.800 -0.165 0.000 1.575 514 D HN 0.414 nan 8.370 nan 0.000 0.482 515 Q N 1.785 121.419 119.800 -0.277 0.000 2.481 515 Q HA -0.184 4.156 4.340 0.000 0.000 0.272 515 Q C 0.700 176.528 176.000 -0.287 0.000 1.157 515 Q CA 1.208 56.886 55.803 -0.208 0.000 0.935 515 Q CB -1.875 26.765 28.738 -0.164 0.000 1.338 515 Q HN 1.317 nan 8.270 nan 0.000 0.494 516 G N 0.184 108.748 108.800 -0.393 0.000 2.198 516 G HA2 -0.342 3.618 3.960 0.000 0.000 0.257 516 G HA3 -0.342 3.618 3.960 0.000 0.000 0.257 516 G C 0.136 174.546 174.900 -0.817 0.000 1.042 516 G CA 0.938 45.867 45.100 -0.285 0.000 0.791 516 G HN 0.698 nan 8.290 nan 0.000 0.502 517 R N -2.764 116.717 120.500 -1.698 0.000 2.728 517 R HA 0.623 4.963 4.340 0.000 0.000 0.274 517 R C -0.966 174.720 176.300 -1.024 0.000 1.030 517 R CA -0.618 54.724 56.100 -1.264 0.000 0.876 517 R CB 0.363 30.393 30.300 -0.450 0.000 1.259 517 R HN 0.523 nan 8.270 nan 0.000 0.468 518 c N 1.978 120.417 118.600 -0.269 0.000 2.246 518 c HA 0.712 5.282 4.570 0.000 0.000 0.329 518 c C -0.183 173.903 174.090 -0.007 0.000 1.221 518 c CA -0.174 56.180 56.329 0.042 0.000 1.697 518 c CB -0.972 41.702 42.510 0.273 0.000 2.312 518 c HN 0.588 nan 8.230 nan 0.000 0.509 519 I N 4.083 124.631 120.570 -0.038 0.000 3.145 519 I HA 0.492 4.662 4.170 0.000 0.000 0.313 519 I C 0.118 176.232 176.117 -0.005 0.000 1.122 519 I CA 0.049 61.336 61.300 -0.022 0.000 0.987 519 I CB 2.217 40.177 38.000 -0.067 0.000 1.236 519 I HN 0.537 nan 8.210 nan 0.000 0.453 520 S N 3.991 119.698 115.700 0.012 0.000 2.533 520 S HA 0.183 4.653 4.470 0.000 0.000 0.282 520 S C 1.606 176.168 174.600 -0.063 0.000 1.304 520 S CA -0.036 58.166 58.200 0.003 0.000 1.063 520 S CB -0.054 63.187 63.200 0.069 0.000 0.881 520 S HN 0.510 nan 8.310 nan 0.000 0.493 521 I N 2.656 123.110 120.570 -0.192 0.000 2.700 521 I HA -0.043 4.127 4.170 0.000 0.000 0.261 521 I C 0.330 176.331 176.117 -0.192 0.000 1.219 521 I CA 1.157 62.304 61.300 -0.255 0.000 1.463 521 I CB -0.493 37.267 38.000 -0.399 0.000 1.092 521 I HN 0.608 nan 8.210 nan 0.000 0.452 522 Y N 0.784 121.113 120.300 0.048 0.000 2.532 522 Y HA 0.281 4.831 4.550 0.000 0.000 0.283 522 Y C 2.415 178.336 175.900 0.034 0.000 1.181 522 Y CA -0.239 57.888 58.100 0.045 0.000 1.256 522 Y CB -0.588 37.914 38.460 0.070 0.000 1.112 522 Y HN 0.177 nan 8.280 nan 0.000 0.521 523 S N -0.640 115.130 115.700 0.117 0.000 2.343 523 S HA -0.126 4.344 4.470 0.000 0.000 0.212 523 S C 2.029 176.666 174.600 0.062 0.000 1.033 523 S CA 1.932 60.178 58.200 0.078 0.000 1.004 523 S CB -0.124 63.095 63.200 0.032 0.000 0.977 523 S HN 0.437 nan 8.310 nan 0.000 0.427 524 S N -1.200 114.523 115.700 0.038 0.000 4.476 524 S HA 0.159 4.629 4.470 0.000 0.000 0.193 524 S C 1.105 175.718 174.600 0.020 0.000 1.131 524 S CA 0.557 58.776 58.200 0.031 0.000 1.198 524 S CB -1.086 62.125 63.200 0.020 0.000 1.566 524 S HN 0.470 nan 8.310 nan 0.000 0.507 525 E N 1.469 121.672 120.200 0.005 0.000 2.501 525 E HA -0.097 4.253 4.350 0.000 0.000 0.203 525 E C 0.202 176.806 176.600 0.005 0.000 1.072 525 E CA 0.656 57.057 56.400 0.001 0.000 0.885 525 E CB -0.057 29.636 29.700 -0.011 0.000 0.813 525 E HN 0.297 nan 8.360 nan 0.000 0.556 526 R N -0.901 119.606 120.500 0.011 0.000 4.023 526 R HA -0.189 4.151 4.340 0.000 0.000 0.368 526 R C -0.538 175.761 176.300 -0.002 0.000 1.187 526 R CA 1.353 57.461 56.100 0.013 0.000 1.089 526 R CB -3.078 27.235 30.300 0.021 0.000 1.574 526 R HN 0.328 nan 8.270 nan 0.000 0.564 527 S N -1.754 113.939 115.700 -0.012 0.000 2.626 527 S HA 0.613 5.083 4.470 0.000 0.000 0.275 527 S C -0.234 174.352 174.600 -0.024 0.000 1.175 527 S CA -0.262 57.929 58.200 -0.014 0.000 0.982 527 S CB 2.553 65.760 63.200 0.011 0.000 1.093 527 S HN 0.471 nan 8.310 nan 0.000 0.472 528 V N 0.057 119.945 119.914 -0.043 0.000 3.130 528 V HA 0.772 4.892 4.120 0.000 0.000 0.310 528 V C -0.988 175.105 176.094 -0.002 0.000 1.158 528 V CA -1.430 60.850 62.300 -0.034 0.000 1.029 528 V CB 1.367 33.152 31.823 -0.064 0.000 1.057 528 V HN 0.741 nan 8.190 nan 0.000 0.436 529 L N 2.701 123.957 121.223 0.055 0.000 2.363 529 L HA 0.512 4.852 4.340 0.000 0.000 0.286 529 L C 0.267 177.181 176.870 0.073 0.000 1.106 529 L CA 0.897 55.797 54.840 0.100 0.000 0.859 529 L CB 0.044 42.196 42.059 0.156 0.000 1.223 529 L HN 0.834 nan 8.230 nan 0.000 0.446 530 Q N 1.217 121.053 119.800 0.059 0.000 2.301 530 Q HA 0.604 4.944 4.340 0.000 0.000 0.267 530 Q C -0.002 176.044 176.000 0.076 0.000 1.035 530 Q CA -0.665 55.139 55.803 0.003 0.000 0.856 530 Q CB 1.836 30.471 28.738 -0.172 0.000 1.337 530 Q HN 0.711 nan 8.270 nan 0.000 0.450 531 S N 2.079 117.780 115.700 0.002 0.000 2.641 531 S HA 0.442 4.912 4.470 0.000 0.000 0.261 531 S C 0.173 174.784 174.600 0.018 0.000 1.257 531 S CA -0.682 57.507 58.200 -0.018 0.000 0.983 531 S CB 0.515 63.664 63.200 -0.084 0.000 0.990 531 S HN 0.513 nan 8.310 nan 0.000 0.572 532 I N 2.050 122.607 120.570 -0.022 0.000 2.412 532 I HA 0.315 4.485 4.170 0.000 0.000 0.296 532 I C 0.905 177.003 176.117 -0.032 0.000 0.987 532 I CA -0.791 60.500 61.300 -0.015 0.000 1.180 532 I CB 0.711 38.686 38.000 -0.042 0.000 1.340 532 I HN 0.652 nan 8.210 nan 0.000 0.455 533 N N 4.281 122.981 118.700 0.001 0.000 2.069 533 N HA -0.125 4.615 4.740 0.000 0.000 0.196 533 N C -1.488 173.989 175.510 -0.054 0.000 1.024 533 N CA 1.357 54.402 53.050 -0.009 0.000 0.869 533 N CB -1.411 37.108 38.487 0.052 0.000 1.035 533 N HN 0.616 nan 8.380 nan 0.000 0.434 534 P HA 0.095 nan 4.420 nan 0.000 0.272 534 P C -0.443 176.823 177.300 -0.058 0.000 1.248 534 P CA -0.109 62.958 63.100 -0.055 0.000 0.799 534 P CB 0.377 32.044 31.700 -0.055 0.000 0.997 535 A N -0.004 122.790 122.820 -0.044 0.000 2.521 535 A HA -0.048 4.272 4.320 0.000 0.000 0.237 535 A C 0.437 178.022 177.584 0.002 0.000 1.087 535 A CA 0.209 52.231 52.037 -0.025 0.000 0.777 535 A CB -1.103 17.893 19.000 -0.007 0.000 1.035 535 A HN 0.680 nan 8.150 nan 0.000 0.510 536 E N -1.270 118.958 120.200 0.045 0.000 2.222 536 E HA -0.169 4.181 4.350 0.000 0.000 0.189 536 E C -2.054 174.618 176.600 0.120 0.000 1.415 536 E CA 0.568 57.083 56.400 0.192 0.000 0.689 536 E CB -1.348 28.512 29.700 0.267 0.000 1.107 536 E HN 0.502 nan 8.360 nan 0.000 0.350 537 P HA -0.099 nan 4.420 nan 0.000 0.249 537 P C 0.753 178.014 177.300 -0.066 0.000 1.241 537 P CA 0.672 63.739 63.100 -0.055 0.000 0.781 537 P CB 0.033 31.666 31.700 -0.111 0.000 1.088 538 H N -0.818 118.141 119.070 -0.185 0.000 2.544 538 H HA 0.168 4.724 4.556 0.000 0.000 0.269 538 H C 1.574 176.815 175.328 -0.145 0.000 0.970 538 H CA 0.561 56.488 56.048 -0.201 0.000 1.219 538 H CB -0.388 29.298 29.762 -0.127 0.000 1.421 538 H HN 0.058 nan 8.280 nan 0.000 0.555 539 K N 1.413 121.366 120.400 -0.744 0.000 2.173 539 K HA -0.212 4.108 4.320 0.000 0.000 0.207 539 K C 1.492 177.929 176.600 -0.271 0.000 1.046 539 K CA 1.669 57.639 56.287 -0.529 0.000 0.929 539 K CB -0.045 32.240 32.500 -0.359 0.000 0.720 539 K HN 0.353 nan 8.250 nan 0.000 0.453 540 E N 0.145 120.217 120.200 -0.213 0.000 2.321 540 E HA 0.023 4.373 4.350 0.000 0.000 0.189 540 E C -0.978 175.537 176.600 -0.142 0.000 1.125 540 E CA -0.555 55.762 56.400 -0.137 0.000 1.005 540 E CB 0.042 29.690 29.700 -0.087 0.000 1.140 540 E HN 0.268 nan 8.360 nan 0.000 0.457 541 c N -0.436 118.034 118.600 -0.216 0.000 2.401 541 c HA 0.295 4.865 4.570 0.000 0.000 0.356 541 c C -0.925 173.070 174.090 -0.158 0.000 1.192 541 c CA -1.535 54.637 56.329 -0.261 0.000 2.028 541 c CB 1.322 43.500 42.510 -0.554 0.000 2.344 541 c HN 0.375 nan 8.230 nan 0.000 0.525 542 P HA -0.102 nan 4.420 nan 0.000 0.212 542 P C -0.221 177.066 177.300 -0.021 0.000 1.178 542 P CA 1.367 64.440 63.100 -0.044 0.000 0.915 542 P CB 0.003 31.693 31.700 -0.016 0.000 0.788 543 N N 0.307 119.007 118.700 -0.001 0.000 2.401 543 N HA 0.058 4.798 4.740 0.000 0.000 0.255 543 N C -1.619 173.981 175.510 0.150 0.000 1.110 543 N CA -1.158 51.941 53.050 0.080 0.000 0.949 543 N CB 0.514 39.076 38.487 0.125 0.000 1.110 543 N HN 0.234 nan 8.380 nan 0.000 0.490 544 P HA -0.143 nan 4.420 nan 0.000 0.220 544 P C -0.292 177.165 177.300 0.262 0.000 1.144 544 P CA 1.439 64.605 63.100 0.109 0.000 0.800 544 P CB 0.575 32.301 31.700 0.044 0.000 0.772 545 K N 0.418 120.946 120.400 0.212 0.000 2.378 545 K HA 0.406 4.726 4.320 0.000 0.000 0.252 545 K C -2.496 174.048 176.600 -0.094 0.000 0.931 545 K CA -2.697 53.654 56.287 0.107 0.000 0.794 545 K CB 1.841 34.364 32.500 0.038 0.000 1.181 545 K HN -0.095 nan 8.250 nan 0.000 0.425 546 P HA -0.140 nan 4.420 nan 0.000 0.270 546 P C -0.760 176.440 177.300 -0.166 0.000 1.216 546 P CA 0.195 62.954 63.100 -0.570 0.000 0.788 546 P CB 0.509 31.937 31.700 -0.452 0.000 0.883 547 D N 1.128 121.484 120.400 -0.073 0.000 2.350 547 D HA 0.105 4.745 4.640 0.000 0.000 0.249 547 D C 0.526 176.825 176.300 -0.003 0.000 1.119 547 D CA 0.083 54.079 54.000 -0.007 0.000 0.886 547 D CB 0.880 41.696 40.800 0.028 0.000 1.195 547 D HN 0.224 nan 8.370 nan 0.000 0.437 548 K N 0.679 121.090 120.400 0.018 0.000 2.319 548 K HA 0.307 4.627 4.320 0.000 0.000 0.265 548 K C 0.051 176.696 176.600 0.076 0.000 1.000 548 K CA -0.410 55.906 56.287 0.049 0.000 0.943 548 K CB 0.751 33.297 32.500 0.075 0.000 0.950 548 K HN 0.416 nan 8.250 nan 0.000 0.485 549 A N 4.045 126.934 122.820 0.114 0.000 2.388 549 A HA 0.246 4.566 4.320 0.000 0.000 0.257 549 A C -2.022 175.628 177.584 0.110 0.000 1.095 549 A CA -1.303 50.803 52.037 0.116 0.000 0.791 549 A CB -0.313 18.777 19.000 0.149 0.000 1.029 549 A HN 0.492 nan 8.150 nan 0.000 0.489 550 P HA 0.105 nan 4.420 nan 0.000 0.266 550 P C -0.505 176.740 177.300 -0.092 0.000 1.195 550 P CA -0.175 62.917 63.100 -0.014 0.000 0.768 550 P CB 0.482 32.164 31.700 -0.030 0.000 0.838 551 L N 3.292 124.414 121.223 -0.170 0.000 2.380 551 L HA 0.212 4.552 4.340 0.000 0.000 0.273 551 L C 0.001 176.637 176.870 -0.390 0.000 1.138 551 L CA 0.442 55.055 54.840 -0.378 0.000 0.832 551 L CB 0.180 42.009 42.059 -0.384 0.000 1.124 551 L HN 0.345 nan 8.230 nan 0.000 0.454 552 Q N 4.428 123.891 119.800 -0.562 0.000 2.340 552 Q HA 0.491 4.831 4.340 0.000 0.000 0.268 552 Q C -1.164 174.494 176.000 -0.570 0.000 1.031 552 Q CA -0.725 54.652 55.803 -0.710 0.000 0.804 552 Q CB 2.193 30.104 28.738 -1.379 0.000 1.286 552 Q HN 0.568 nan 8.270 nan 0.000 0.448 553 K N 1.070 121.250 120.400 -0.366 0.000 2.208 553 K HA 0.766 5.086 4.320 0.000 0.000 0.247 553 K C -1.371 175.176 176.600 -0.088 0.000 0.953 553 K CA -0.875 55.302 56.287 -0.183 0.000 0.837 553 K CB 2.499 34.917 32.500 -0.136 0.000 1.131 553 K HN 0.284 nan 8.250 nan 0.000 0.431 554 V N 0.819 120.737 119.914 0.006 0.000 2.891 554 V HA 0.326 4.446 4.120 0.000 0.000 0.304 554 V C -1.621 174.457 176.094 -0.026 0.000 1.171 554 V CA -0.415 61.903 62.300 0.031 0.000 0.943 554 V CB 2.381 34.300 31.823 0.161 0.000 1.037 554 V HN 0.797 nan 8.190 nan 0.000 0.427 555 S N 6.794 122.471 115.700 -0.037 0.000 2.451 555 S HA 0.856 5.326 4.470 0.000 0.000 0.301 555 S C -0.756 173.809 174.600 -0.058 0.000 1.116 555 S CA -0.462 57.722 58.200 -0.027 0.000 1.093 555 S CB 1.136 64.326 63.200 -0.016 0.000 1.017 555 S HN 0.624 nan 8.310 nan 0.000 0.482 556 L N 1.657 122.864 121.223 -0.027 0.000 2.415 556 L HA 0.790 5.130 4.340 0.000 0.000 0.256 556 L C -0.168 176.733 176.870 0.051 0.000 1.010 556 L CA -1.053 53.750 54.840 -0.063 0.000 0.826 556 L CB 1.901 43.817 42.059 -0.239 0.000 1.405 556 L HN 0.682 nan 8.230 nan 0.000 0.410 557 A N 1.741 124.575 122.820 0.022 0.000 2.279 557 A HA 0.836 5.156 4.320 0.000 0.000 0.303 557 A C -2.496 175.125 177.584 0.062 0.000 1.108 557 A CA -1.520 50.555 52.037 0.063 0.000 0.830 557 A CB 0.226 19.244 19.000 0.029 0.000 1.106 557 A HN 0.413 nan 8.150 nan 0.000 0.493 558 P HA 0.049 nan 4.420 nan 0.000 0.270 558 P C -0.139 177.171 177.300 0.018 0.000 1.223 558 P CA 0.173 63.315 63.100 0.069 0.000 0.785 558 P CB 0.211 31.975 31.700 0.106 0.000 0.923 559 N N -2.316 116.383 118.700 -0.003 0.000 2.778 559 N HA -0.164 4.576 4.740 0.000 0.000 0.249 559 N C -0.329 175.176 175.510 -0.008 0.000 1.069 559 N CA 0.666 53.714 53.050 -0.004 0.000 0.831 559 N CB -1.109 37.384 38.487 0.009 0.000 1.142 559 N HN 0.646 nan 8.380 nan 0.000 0.573 560 S N 0.242 115.928 115.700 -0.023 0.000 2.562 560 S HA 0.399 4.869 4.470 0.000 0.000 0.275 560 S C 0.156 174.755 174.600 -0.002 0.000 1.281 560 S CA -0.833 57.360 58.200 -0.012 0.000 1.045 560 S CB 2.371 65.555 63.200 -0.026 0.000 0.962 560 S HN 0.333 nan 8.310 nan 0.000 0.503 561 R N 1.281 121.802 120.500 0.035 0.000 2.539 561 R HA 0.475 4.815 4.340 0.000 0.000 0.275 561 R C -1.314 175.070 176.300 0.140 0.000 1.077 561 R CA -0.226 55.914 56.100 0.066 0.000 1.097 561 R CB 0.391 30.730 30.300 0.064 0.000 1.018 561 R HN 0.814 nan 8.270 nan 0.000 0.483 562 Y N 2.788 123.045 120.300 -0.071 0.000 2.713 562 Y HA 0.358 4.908 4.550 0.000 0.000 0.335 562 Y C -1.870 173.940 175.900 -0.150 0.000 1.222 562 Y CA -0.859 57.138 58.100 -0.172 0.000 1.061 562 Y CB 1.424 39.711 38.460 -0.289 0.000 1.314 562 Y HN 0.608 nan 8.280 nan 0.000 0.453 563 Y N 0.982 120.717 120.300 -0.942 0.000 2.581 563 Y HA 0.791 5.341 4.550 0.000 0.000 0.337 563 Y C -2.489 172.751 175.900 -1.099 0.000 1.108 563 Y CA -1.658 55.932 58.100 -0.850 0.000 1.033 563 Y CB 1.243 39.292 38.460 -0.685 0.000 1.318 563 Y HN 0.524 nan 8.280 nan 0.000 0.459 564 L N 3.277 123.984 121.223 -0.859 0.000 2.356 564 L HA 0.623 4.963 4.340 0.000 0.000 0.277 564 L C -0.344 176.278 176.870 -0.413 0.000 0.996 564 L CA -0.884 53.365 54.840 -0.983 0.000 0.822 564 L CB 2.110 43.204 42.059 -1.609 0.000 1.256 564 L HN 0.817 nan 8.230 nan 0.000 0.413 565 S N 1.975 117.611 115.700 -0.107 0.000 2.472 565 S HA 0.473 4.943 4.470 0.000 0.000 0.303 565 S C -0.899 173.878 174.600 0.294 0.000 1.099 565 S CA -0.446 57.830 58.200 0.127 0.000 1.077 565 S CB 1.363 64.615 63.200 0.087 0.000 1.031 565 S HN 0.719 nan 8.310 nan 0.000 0.487 566 c N 8.073 126.814 118.600 0.234 0.000 2.437 566 c HA 0.581 5.151 4.570 0.000 0.000 0.307 566 c C -2.694 171.353 174.090 -0.072 0.000 1.093 566 c CA -2.244 54.131 56.329 0.077 0.000 1.463 566 c CB 0.292 42.708 42.510 -0.158 0.000 1.926 566 c HN 0.697 nan 8.230 nan 0.000 0.420 567 P HA 0.079 nan 4.420 nan 0.000 0.267 567 P C -0.435 176.737 177.300 -0.214 0.000 1.209 567 P CA 0.680 63.720 63.100 -0.099 0.000 0.763 567 P CB 0.456 32.144 31.700 -0.020 0.000 0.816 568 M N 2.965 122.327 119.600 -0.396 0.000 2.664 568 M HA 0.140 4.620 4.480 0.000 0.000 0.332 568 M C 1.327 177.497 176.300 -0.216 0.000 1.354 568 M CA 0.000 54.881 55.300 -0.699 0.000 1.399 568 M CB 0.187 32.183 32.600 -1.008 0.000 1.224 568 M HN 0.383 nan 8.290 nan 0.000 0.479 569 E N 1.140 121.350 120.200 0.015 0.000 2.012 569 E HA -0.122 4.228 4.350 0.000 0.000 0.197 569 E C 0.745 177.427 176.600 0.137 0.000 1.007 569 E CA 1.015 57.471 56.400 0.095 0.000 0.816 569 E CB 0.178 29.959 29.700 0.136 0.000 0.762 569 E HN 0.569 nan 8.360 nan 0.000 0.451 570 S N 0.485 116.321 115.700 0.227 0.000 2.481 570 S HA 0.058 4.528 4.470 0.000 0.000 0.276 570 S C 0.615 175.332 174.600 0.195 0.000 1.247 570 S CA -0.532 57.772 58.200 0.173 0.000 1.053 570 S CB 0.455 63.752 63.200 0.162 0.000 0.925 570 S HN 0.095 nan 8.310 nan 0.000 0.491 571 R N 3.369 123.920 120.500 0.085 0.000 2.319 571 R HA 0.106 4.446 4.340 0.000 0.000 0.204 571 R C 0.414 176.854 176.300 0.233 0.000 0.954 571 R CA 0.488 56.671 56.100 0.138 0.000 1.066 571 R CB -0.622 29.784 30.300 0.176 0.000 0.991 571 R HN 0.787 nan 8.270 nan 0.000 0.486 572 H N -1.315 117.805 119.070 0.083 0.000 2.755 572 H HA 0.402 4.958 4.556 0.000 0.000 0.273 572 H C 0.158 175.503 175.328 0.029 0.000 1.055 572 H CA -0.283 55.782 56.048 0.028 0.000 1.191 572 H CB 1.096 30.852 29.762 -0.010 0.000 1.536 572 H HN 0.058 nan 8.280 nan 0.000 0.529 573 A N 0.783 123.714 122.820 0.186 0.000 2.311 573 A HA 0.513 4.833 4.320 0.000 0.000 0.334 573 A C -0.089 177.543 177.584 0.079 0.000 1.139 573 A CA -0.478 51.578 52.037 0.032 0.000 0.830 573 A CB 1.058 19.966 19.000 -0.152 0.000 1.234 573 A HN 0.101 nan 8.150 nan 0.000 0.483 574 T N 1.546 116.064 114.554 -0.061 0.000 2.767 574 T HA 0.524 4.874 4.350 0.000 0.000 0.284 574 T C -1.305 173.339 174.700 -0.094 0.000 0.973 574 T CA 0.414 62.522 62.100 0.013 0.000 0.996 574 T CB 0.002 68.855 68.868 -0.024 0.000 0.927 574 T HN 0.354 nan 8.240 nan 0.000 0.456 575 Y N 1.358 121.600 120.300 -0.097 0.000 2.360 575 Y HA 0.554 5.104 4.550 0.000 0.000 0.337 575 Y C 0.647 176.475 175.900 -0.120 0.000 1.039 575 Y CA -0.765 57.249 58.100 -0.142 0.000 1.109 575 Y CB 1.711 40.051 38.460 -0.199 0.000 1.201 575 Y HN 0.518 nan 8.280 nan 0.000 0.458 576 S N 2.120 117.809 115.700 -0.018 0.000 2.571 576 S HA 0.311 4.781 4.470 0.000 0.000 0.284 576 S C -1.565 173.055 174.600 0.032 0.000 1.128 576 S CA -1.016 57.207 58.200 0.039 0.000 0.970 576 S CB 0.743 63.987 63.200 0.073 0.000 1.039 576 S HN 0.594 nan 8.310 nan 0.000 0.485 577 W N 2.590 123.979 121.300 0.148 0.000 2.322 577 W HA 0.546 5.206 4.660 0.000 0.000 0.307 577 W C 0.693 177.346 176.519 0.223 0.000 1.220 577 W CA -0.464 56.996 57.345 0.192 0.000 1.210 577 W CB 0.694 30.247 29.460 0.155 0.000 1.223 577 W HN 0.408 nan 8.180 nan 0.000 0.511 578 R N 3.621 124.466 120.500 0.576 0.000 2.534 578 R HA 0.330 4.670 4.340 0.000 0.000 0.301 578 R C -1.340 175.232 176.300 0.453 0.000 0.961 578 R CA -0.653 55.697 56.100 0.417 0.000 0.871 578 R CB 1.187 31.645 30.300 0.262 0.000 1.170 578 R HN 0.665 nan 8.270 nan 0.000 0.446 579 H N 3.494 122.654 119.070 0.151 0.000 2.782 579 H HA 0.175 4.731 4.556 0.000 0.000 0.347 579 H C -0.616 174.703 175.328 -0.014 0.000 1.038 579 H CA -0.586 55.420 56.048 -0.071 0.000 1.255 579 H CB 1.084 30.666 29.762 -0.299 0.000 1.623 579 H HN 0.593 nan 8.280 nan 0.000 0.525 580 K N 3.327 123.607 120.400 -0.199 0.000 3.129 580 K HA -0.235 4.085 4.320 0.000 0.000 0.273 580 K C 0.211 176.756 176.600 -0.092 0.000 1.123 580 K CA 1.379 57.534 56.287 -0.219 0.000 0.800 580 K CB -1.440 30.816 32.500 -0.408 0.000 1.238 580 K HN 0.987 nan 8.250 nan 0.000 0.492 581 E N -3.354 116.829 120.200 -0.029 0.000 3.916 581 E HA -0.272 4.078 4.350 0.000 0.000 0.331 581 E C -0.673 175.925 176.600 -0.004 0.000 0.729 581 E CA 1.332 57.713 56.400 -0.032 0.000 1.222 581 E CB -1.108 28.560 29.700 -0.054 0.000 1.633 581 E HN 0.721 nan 8.360 nan 0.000 0.437 582 N N -0.042 118.671 118.700 0.022 0.000 2.370 582 N HA 0.432 5.172 4.740 0.000 0.000 0.303 582 N C -0.656 174.924 175.510 0.117 0.000 1.103 582 N CA -0.444 52.637 53.050 0.052 0.000 0.848 582 N CB 2.047 40.556 38.487 0.037 0.000 1.235 582 N HN 0.063 nan 8.380 nan 0.000 0.496 583 V N -0.780 119.207 119.914 0.121 0.000 2.498 583 V HA 0.395 4.515 4.120 0.000 0.000 0.279 583 V C 0.384 176.589 176.094 0.185 0.000 1.048 583 V CA -0.048 62.355 62.300 0.172 0.000 0.967 583 V CB 1.493 33.401 31.823 0.143 0.000 0.988 583 V HN 0.687 nan 8.190 nan 0.000 0.473 584 E N 1.979 122.327 120.200 0.247 0.000 2.389 584 E HA 0.230 4.580 4.350 0.000 0.000 0.199 584 E C 0.399 177.126 176.600 0.212 0.000 0.978 584 E CA 0.294 56.825 56.400 0.219 0.000 0.912 584 E CB 0.529 30.377 29.700 0.247 0.000 0.907 584 E HN 0.884 nan 8.360 nan 0.000 0.494 585 Q N -0.633 119.329 119.800 0.269 0.000 2.320 585 Q HA 0.509 4.849 4.340 0.000 0.000 0.272 585 Q C -1.715 174.436 176.000 0.253 0.000 1.023 585 Q CA -0.447 55.515 55.803 0.265 0.000 0.855 585 Q CB 2.106 31.035 28.738 0.317 0.000 1.367 585 Q HN -0.053 nan 8.270 nan 0.000 0.406 586 S N 2.018 117.831 115.700 0.189 0.000 2.557 586 S HA 0.772 5.242 4.470 0.000 0.000 0.291 586 S C -1.408 173.267 174.600 0.125 0.000 1.116 586 S CA -0.407 57.879 58.200 0.144 0.000 0.992 586 S CB 0.658 63.930 63.200 0.120 0.000 1.028 586 S HN 0.716 nan 8.310 nan 0.000 0.484 587 c N 5.290 123.934 118.600 0.074 0.000 2.316 587 c HA 0.569 5.139 4.570 0.000 0.000 0.324 587 c C 0.052 174.189 174.090 0.078 0.000 1.226 587 c CA -1.080 55.253 56.329 0.006 0.000 1.450 587 c CB 0.190 42.478 42.510 -0.370 0.000 2.123 587 c HN 0.854 nan 8.230 nan 0.000 0.454 588 E N 2.803 123.090 120.200 0.144 0.000 2.318 588 E HA 0.245 4.595 4.350 0.000 0.000 0.265 588 E C -2.100 174.593 176.600 0.155 0.000 1.069 588 E CA -1.459 55.019 56.400 0.130 0.000 0.893 588 E CB 0.404 30.168 29.700 0.106 0.000 1.076 588 E HN 0.201 nan 8.360 nan 0.000 0.414 589 P HA -0.176 nan 4.420 nan 0.000 0.218 589 P C 1.132 178.515 177.300 0.138 0.000 1.150 589 P CA 2.015 65.201 63.100 0.143 0.000 0.841 589 P CB -0.054 31.717 31.700 0.118 0.000 0.784 590 G N -1.936 106.931 108.800 0.113 0.000 3.061 590 G HA2 -0.130 3.830 3.960 0.000 0.000 0.208 590 G HA3 -0.130 3.830 3.960 0.000 0.000 0.208 590 G C 0.288 175.237 174.900 0.083 0.000 1.175 590 G CA -0.049 45.100 45.100 0.083 0.000 0.812 590 G HN 0.344 nan 8.290 nan 0.000 0.523 591 H N 0.724 119.809 119.070 0.024 0.000 2.975 591 H HA 0.121 4.677 4.556 0.000 0.000 0.303 591 H C 1.198 176.515 175.328 -0.018 0.000 1.023 591 H CA 0.363 56.414 56.048 0.004 0.000 1.473 591 H CB 0.821 30.579 29.762 -0.006 0.000 1.498 591 H HN 0.300 nan 8.280 nan 0.000 0.549 592 Q N 2.594 122.284 119.800 -0.183 0.000 1.967 592 Q HA -0.105 4.235 4.340 0.000 0.000 0.202 592 Q C 0.891 176.858 176.000 -0.054 0.000 0.985 592 Q CA 1.070 56.812 55.803 -0.102 0.000 0.839 592 Q CB -0.014 28.647 28.738 -0.129 0.000 0.906 592 Q HN 0.525 nan 8.270 nan 0.000 0.423 593 S N 0.771 116.444 115.700 -0.045 0.000 2.573 593 S HA 0.019 4.489 4.470 0.000 0.000 0.277 593 S C -1.812 172.825 174.600 0.060 0.000 1.346 593 S CA -1.152 57.064 58.200 0.027 0.000 1.034 593 S CB 0.681 63.927 63.200 0.076 0.000 0.879 593 S HN 0.101 nan 8.310 nan 0.000 0.528 594 P HA 0.159 nan 4.420 nan 0.000 0.253 594 P C -0.768 176.447 177.300 -0.142 0.000 1.260 594 P CA 0.130 63.151 63.100 -0.132 0.000 0.800 594 P CB -0.065 31.536 31.700 -0.164 0.000 1.162 595 N N -0.210 118.439 118.700 -0.085 0.000 2.249 595 N HA 0.128 4.868 4.740 0.000 0.000 0.296 595 N C -1.124 174.306 175.510 -0.134 0.000 1.051 595 N CA -0.337 52.644 53.050 -0.115 0.000 0.815 595 N CB 1.720 40.176 38.487 -0.052 0.000 1.487 595 N HN -0.090 nan 8.380 nan 0.000 0.475 596 c N 3.773 122.261 118.600 -0.187 0.000 2.246 596 c HA 0.559 5.129 4.570 0.000 0.000 0.329 596 c C 0.045 174.245 174.090 0.183 0.000 1.221 596 c CA -0.524 55.730 56.329 -0.124 0.000 1.697 596 c CB -1.873 40.520 42.510 -0.195 0.000 2.312 596 c HN 0.538 nan 8.230 nan 0.000 0.509 597 I N 6.702 127.319 120.570 0.079 0.000 2.378 597 I HA 0.372 4.542 4.170 0.000 0.000 0.291 597 I C -0.164 175.748 176.117 -0.343 0.000 0.992 597 I CA -0.356 60.848 61.300 -0.159 0.000 1.154 597 I CB 1.504 39.206 38.000 -0.497 0.000 1.315 597 I HN 0.528 nan 8.210 nan 0.000 0.448 598 L N 6.806 127.639 121.223 -0.651 0.000 2.272 598 L HA 0.559 4.899 4.340 0.000 0.000 0.289 598 L C -1.243 175.224 176.870 -0.671 0.000 1.032 598 L CA -0.195 54.260 54.840 -0.643 0.000 0.810 598 L CB 0.600 42.010 42.059 -1.081 0.000 1.205 598 L HN 0.332 nan 8.230 nan 0.000 0.422 599 F N 5.461 125.296 119.950 -0.192 0.000 2.385 599 F HA 0.488 5.015 4.527 0.000 0.000 0.336 599 F C 0.237 175.953 175.800 -0.140 0.000 1.100 599 F CA -0.377 57.536 58.000 -0.145 0.000 1.116 599 F CB 1.375 40.321 39.000 -0.090 0.000 1.166 599 F HN 0.263 nan 8.300 nan 0.000 0.511 600 I N 2.740 123.343 120.570 0.055 0.000 2.466 600 I HA 0.122 4.292 4.170 0.000 0.000 0.279 600 I C 0.771 176.912 176.117 0.040 0.000 1.033 600 I CA -0.274 61.026 61.300 -0.001 0.000 1.123 600 I CB 1.513 39.456 38.000 -0.095 0.000 1.237 600 I HN 0.775 nan 8.210 nan 0.000 0.460 601 E N 5.441 125.664 120.200 0.039 0.000 1.995 601 E HA -0.138 4.212 4.350 0.000 0.000 0.207 601 E C 0.168 176.775 176.600 0.012 0.000 1.016 601 E CA 1.419 57.834 56.400 0.026 0.000 0.865 601 E CB 0.320 30.028 29.700 0.013 0.000 0.797 601 E HN 0.500 nan 8.360 nan 0.000 0.491 602 N N 0.876 119.576 118.700 -0.000 0.000 2.491 602 N HA 0.178 4.918 4.740 0.000 0.000 0.274 602 N C -1.167 174.326 175.510 -0.028 0.000 1.023 602 N CA -0.427 52.618 53.050 -0.008 0.000 0.902 602 N CB 1.555 40.042 38.487 0.001 0.000 1.267 602 N HN 0.125 nan 8.380 nan 0.000 0.503 603 L N 2.755 123.940 121.223 -0.063 0.000 2.540 603 L HA 0.130 4.470 4.340 0.000 0.000 0.276 603 L C 0.698 177.513 176.870 -0.091 0.000 1.212 603 L CA 0.632 55.392 54.840 -0.133 0.000 0.893 603 L CB 0.161 42.073 42.059 -0.246 0.000 1.138 603 L HN 0.618 nan 8.230 nan 0.000 0.491 604 T N 1.667 116.172 114.554 -0.081 0.000 2.942 604 T HA 0.698 5.048 4.350 0.000 0.000 0.289 604 T C 1.006 175.748 174.700 0.070 0.000 1.044 604 T CA -0.335 61.773 62.100 0.013 0.000 1.023 604 T CB 1.459 70.350 68.868 0.039 0.000 1.123 604 T HN 0.707 nan 8.240 nan 0.000 0.512 605 A N 0.621 123.558 122.820 0.195 0.000 1.908 605 A HA -0.114 4.206 4.320 0.000 0.000 0.218 605 A C 2.375 180.152 177.584 0.322 0.000 1.181 605 A CA 1.394 53.644 52.037 0.355 0.000 0.627 605 A CB -1.061 18.057 19.000 0.196 0.000 0.818 605 A HN 0.824 nan 8.150 nan 0.000 0.445 606 Q N -0.002 119.909 119.800 0.184 0.000 2.061 606 Q HA -0.201 4.139 4.340 0.000 0.000 0.204 606 Q C 1.360 177.499 176.000 0.232 0.000 0.984 606 Q CA 1.708 57.606 55.803 0.160 0.000 0.846 606 Q CB -0.361 28.438 28.738 0.102 0.000 0.902 606 Q HN 0.985 nan 8.270 nan 0.000 0.421 607 Q N -0.610 119.314 119.800 0.208 0.000 3.170 607 Q HA 0.167 4.507 4.340 0.000 0.000 0.346 607 Q C -0.970 175.087 176.000 0.095 0.000 1.333 607 Q CA -0.074 55.905 55.803 0.293 0.000 0.958 607 Q CB -0.270 28.567 28.738 0.166 0.000 1.600 607 Q HN 0.096 nan 8.270 nan 0.000 0.482 608 Y N -0.274 120.164 120.300 0.231 0.000 2.562 608 Y HA 0.680 5.230 4.550 0.000 0.000 0.343 608 Y C 0.868 176.870 175.900 0.170 0.000 1.025 608 Y CA 0.494 58.672 58.100 0.130 0.000 1.082 608 Y CB 2.363 40.869 38.460 0.077 0.000 1.264 608 Y HN 0.568 nan 8.280 nan 0.000 0.478 609 G N 0.600 109.563 108.800 0.271 0.000 2.306 609 G HA2 -0.091 3.869 3.960 0.000 0.000 0.262 609 G HA3 -0.091 3.869 3.960 0.000 0.000 0.262 609 G C -1.481 173.409 174.900 -0.018 0.000 1.263 609 G CA -1.129 44.056 45.100 0.142 0.000 1.088 609 G HN 0.695 nan 8.290 nan 0.000 0.489 610 H N -0.349 118.795 119.070 0.125 0.000 2.652 610 H HA 0.524 5.080 4.556 0.000 0.000 0.349 610 H C -0.893 174.362 175.328 -0.121 0.000 1.099 610 H CA 0.771 56.866 56.048 0.080 0.000 1.417 610 H CB 0.984 30.858 29.762 0.188 0.000 1.457 610 H HN 0.389 nan 8.280 nan 0.000 0.568 611 Y N 1.991 122.358 120.300 0.112 0.000 2.354 611 Y HA 0.234 4.784 4.550 0.000 0.000 0.330 611 Y C -0.811 175.213 175.900 0.206 0.000 1.011 611 Y CA -0.568 57.681 58.100 0.249 0.000 1.099 611 Y CB 1.092 39.649 38.460 0.161 0.000 1.179 611 Y HN 0.407 nan 8.280 nan 0.000 0.442 612 F N 2.013 122.298 119.950 0.558 0.000 2.495 612 F HA 0.549 5.076 4.527 0.000 0.000 0.327 612 F C -0.222 175.663 175.800 0.141 0.000 1.103 612 F CA -1.014 57.171 58.000 0.309 0.000 0.949 612 F CB 1.410 40.448 39.000 0.064 0.000 1.142 612 F HN 0.394 nan 8.300 nan 0.000 0.457 613 c N 4.057 122.613 118.600 -0.073 0.000 2.271 613 c HA 0.457 5.027 4.570 0.000 0.000 0.323 613 c C -0.321 173.653 174.090 -0.194 0.000 1.245 613 c CA -0.309 55.676 56.329 -0.574 0.000 1.548 613 c CB -0.623 41.157 42.510 -1.217 0.000 2.214 613 c HN 0.930 nan 8.230 nan 0.000 0.477 614 E N 4.167 124.287 120.200 -0.134 0.000 2.171 614 E HA 0.668 5.018 4.350 0.000 0.000 0.271 614 E C -0.620 175.820 176.600 -0.267 0.000 0.916 614 E CA -0.300 56.029 56.400 -0.118 0.000 0.774 614 E CB 1.705 31.395 29.700 -0.017 0.000 1.128 614 E HN 0.877 nan 8.360 nan 0.000 0.403 615 A N 4.351 126.919 122.820 -0.419 0.000 2.312 615 A HA 0.377 4.697 4.320 0.000 0.000 0.326 615 A C -0.755 176.500 177.584 -0.548 0.000 1.172 615 A CA -0.542 51.044 52.037 -0.751 0.000 0.821 615 A CB 1.338 19.727 19.000 -1.018 0.000 1.166 615 A HN 0.636 nan 8.150 nan 0.000 0.493 616 Q N 1.965 121.431 119.800 -0.556 0.000 2.483 616 Q HA 0.203 4.543 4.340 0.000 0.000 0.245 616 Q C -0.503 175.248 176.000 -0.414 0.000 0.902 616 Q CA -0.265 55.137 55.803 -0.668 0.000 0.767 616 Q CB 1.165 29.343 28.738 -0.933 0.000 1.341 616 Q HN 0.946 nan 8.270 nan 0.000 0.453 617 E N 1.964 122.000 120.200 -0.274 0.000 2.013 617 E HA -0.024 4.326 4.350 0.000 0.000 0.194 617 E C 0.920 177.436 176.600 -0.139 0.000 0.973 617 E CA 1.308 57.636 56.400 -0.119 0.000 0.842 617 E CB 0.180 29.883 29.700 0.004 0.000 0.801 617 E HN 0.733 nan 8.360 nan 0.000 0.476 618 G N 0.127 108.859 108.800 -0.114 0.000 2.534 618 G HA2 -0.073 3.887 3.960 0.000 0.000 0.224 618 G HA3 -0.073 3.887 3.960 0.000 0.000 0.224 618 G C 1.061 175.887 174.900 -0.124 0.000 1.822 618 G CA 0.508 45.547 45.100 -0.101 0.000 0.805 618 G HN 0.330 nan 8.290 nan 0.000 0.649 619 S N -1.192 114.479 115.700 -0.049 0.000 2.602 619 S HA 0.379 4.849 4.470 0.000 0.000 0.240 619 S C -0.339 174.292 174.600 0.052 0.000 0.992 619 S CA -0.549 57.659 58.200 0.012 0.000 0.971 619 S CB -0.063 63.181 63.200 0.073 0.000 0.855 619 S HN 0.319 nan 8.310 nan 0.000 0.481 620 Y N 1.359 121.520 120.300 -0.232 0.000 2.341 620 Y HA 0.694 5.244 4.550 0.000 0.000 0.337 620 Y C -1.161 174.497 175.900 -0.403 0.000 1.014 620 Y CA -2.048 55.898 58.100 -0.256 0.000 1.111 620 Y CB 0.676 38.947 38.460 -0.315 0.000 1.194 620 Y HN 0.144 nan 8.280 nan 0.000 0.462 621 F N 5.251 124.683 119.950 -0.863 0.000 2.556 621 F HA 0.743 5.270 4.527 0.000 0.000 0.327 621 F C -0.119 175.103 175.800 -0.963 0.000 1.059 621 F CA -0.880 56.698 58.000 -0.703 0.000 0.953 621 F CB 1.642 40.390 39.000 -0.420 0.000 1.227 621 F HN 0.288 nan 8.300 nan 0.000 0.478 622 R N 1.778 122.041 120.500 -0.394 0.000 2.561 622 R HA 0.143 4.483 4.340 0.000 0.000 0.266 622 R C -1.622 174.579 176.300 -0.165 0.000 1.091 622 R CA -0.669 55.231 56.100 -0.334 0.000 0.927 622 R CB 2.052 32.167 30.300 -0.309 0.000 1.240 622 R HN 0.857 nan 8.270 nan 0.000 0.449 623 E N 2.444 122.588 120.200 -0.094 0.000 2.001 623 E HA 0.352 4.702 4.350 0.000 0.000 0.279 623 E C 0.149 176.761 176.600 0.019 0.000 1.045 623 E CA 0.096 56.493 56.400 -0.006 0.000 0.833 623 E CB 0.919 30.650 29.700 0.052 0.000 1.077 623 E HN 0.637 nan 8.360 nan 0.000 0.397 624 A N 4.313 127.134 122.820 0.002 0.000 2.021 624 A HA 0.026 4.346 4.320 0.000 0.000 0.216 624 A C 0.742 178.375 177.584 0.082 0.000 1.163 624 A CA 0.578 52.640 52.037 0.043 0.000 0.676 624 A CB 0.307 19.349 19.000 0.070 0.000 0.818 624 A HN 0.570 nan 8.150 nan 0.000 0.453 625 Q N -1.698 118.156 119.800 0.090 0.000 2.391 625 Q HA 0.476 4.816 4.340 0.000 0.000 0.279 625 Q C -1.483 174.711 176.000 0.325 0.000 1.028 625 Q CA -0.366 55.564 55.803 0.212 0.000 0.836 625 Q CB 1.446 30.304 28.738 0.201 0.000 1.414 625 Q HN 0.548 nan 8.270 nan 0.000 0.397 626 H N 1.945 121.136 119.070 0.202 0.000 3.108 626 H HA 0.481 5.037 4.556 0.000 0.000 0.329 626 H C -1.667 173.678 175.328 0.028 0.000 0.978 626 H CA -0.478 55.602 56.048 0.053 0.000 1.413 626 H CB 0.737 30.485 29.762 -0.023 0.000 1.670 626 H HN 0.569 nan 8.280 nan 0.000 0.512 627 W N 3.001 124.452 121.300 0.251 0.000 2.719 627 W HA 0.358 5.018 4.660 0.000 0.000 0.352 627 W C -0.763 175.799 176.519 0.071 0.000 1.085 627 W CA -0.661 56.751 57.345 0.110 0.000 1.187 627 W CB 1.964 31.500 29.460 0.128 0.000 1.417 627 W HN 0.543 nan 8.180 nan 0.000 0.557 628 Q N 2.553 122.442 119.800 0.149 0.000 2.294 628 Q HA 0.337 4.677 4.340 0.000 0.000 0.264 628 Q C -1.645 174.387 176.000 0.053 0.000 0.992 628 Q CA -0.537 55.240 55.803 -0.043 0.000 0.747 628 Q CB 1.008 29.546 28.738 -0.333 0.000 1.262 628 Q HN 0.368 nan 8.270 nan 0.000 0.452 629 L N 5.654 126.953 121.223 0.125 0.000 2.315 629 L HA 0.394 4.734 4.340 0.000 0.000 0.283 629 L C -0.407 176.581 176.870 0.196 0.000 1.089 629 L CA 0.086 54.985 54.840 0.099 0.000 0.833 629 L CB 0.396 42.472 42.059 0.029 0.000 1.170 629 L HN 0.738 nan 8.230 nan 0.000 0.442 630 L N 6.376 127.679 121.223 0.133 0.000 2.331 630 L HA 0.554 4.894 4.340 0.000 0.000 0.275 630 L C -2.082 174.866 176.870 0.129 0.000 1.022 630 L CA -1.851 53.044 54.840 0.090 0.000 0.812 630 L CB 2.240 44.295 42.059 -0.006 0.000 1.257 630 L HN 0.387 nan 8.230 nan 0.000 0.435 631 P HA 0.240 nan 4.420 nan 0.000 0.280 631 P C -1.155 176.095 177.300 -0.083 0.000 1.244 631 P CA -0.234 62.720 63.100 -0.244 0.000 0.784 631 P CB 1.514 32.779 31.700 -0.726 0.000 0.913 632 E N 2.185 122.381 120.200 -0.007 0.000 2.522 632 E HA 0.190 4.540 4.350 0.000 0.000 0.315 632 E C -1.127 175.477 176.600 0.007 0.000 0.917 632 E CA -0.233 56.159 56.400 -0.012 0.000 0.796 632 E CB 1.975 31.668 29.700 -0.011 0.000 1.323 632 E HN 0.613 nan 8.360 nan 0.000 0.397 633 D N 0.000 120.399 120.400 -0.002 0.000 6.856 633 D HA 0.000 4.640 4.640 0.000 0.000 0.175 633 D CA 0.000 54.003 54.000 0.005 0.000 0.868 633 D CB 0.000 40.807 40.800 0.012 0.000 0.688 633 D HN 0.000 nan 8.370 nan 0.000 0.683