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 3mdv_1_A DATA FIRST_RESID 59 DATA SEQUENCE VLQDVFLDWA KKYGPVVRVN VFHKTSVIVT SPESVKKFLM STKYNKDSKM DATA SEQUENCE YRALQTVFGE RLFGQGLVSE CNYERWHKQR RVIDLAFSRS SLVSLMETFN DATA SEQUENCE EKAEQLVEIL EAKADGQTPV SMQDMLTYTA MDILAKAAFG METSMLLGAQ DATA SEQUENCE KPLSQAVKLM LEGITASRNT XXXXXXXKRK QLREVRESIR FLRQVGRDWV DATA SEQUENCE QRRREALKRG EEVPADILTQ ILKAEEGAQD DEGLLDNFVT FFIAGHETSA DATA SEQUENCE NHLAFTVMEL SRQPEIVARL QAEVDEVIGS KRYLDFEDLG RLQYLSQVLK DATA SEQUENCE ESLRLYPPAW GTFRLLEEET LIDGVRVPGN TPLLFSTYVM GRMDTYFEDP DATA SEQUENCE LTFNPDRFGP GAPKPRFTYF PFSLGHRSCI GQQFAQMEVK VVMAKLLQRL DATA SEQUENCE EFRLVPGQRF GLQEQATLKP LDPVLCTLRP R 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 59 V HA 0.000 nan 4.120 nan 0.000 0.244 59 V C 0.000 175.856 176.094 -0.397 0.000 1.182 59 V CA 0.000 62.158 62.300 -0.237 0.000 1.235 59 V CB 0.000 31.709 31.823 -0.190 0.000 1.184 60 L N 3.412 124.339 121.223 -0.494 0.000 1.997 60 L HA -0.172 4.168 4.340 0.000 0.000 0.216 60 L C 2.557 178.727 176.870 -1.167 0.000 1.074 60 L CA 2.301 56.649 54.840 -0.820 0.000 0.763 60 L CB -0.411 41.167 42.059 -0.803 0.000 0.890 60 L HN 0.835 nan 8.230 nan 0.000 0.434 61 Q N -0.611 118.592 119.800 -0.994 0.000 2.152 61 Q HA -0.233 4.107 4.340 0.000 0.000 0.206 61 Q C 1.950 177.718 176.000 -0.388 0.000 0.985 61 Q CA 1.842 57.141 55.803 -0.841 0.000 0.863 61 Q CB -0.538 27.564 28.738 -1.061 0.000 0.904 61 Q HN 0.627 nan 8.270 nan 0.000 0.422 62 D N -0.451 119.761 120.400 -0.313 0.000 2.224 62 D HA -0.062 4.578 4.640 0.000 0.000 0.205 62 D C 1.967 178.113 176.300 -0.258 0.000 0.965 62 D CA 0.416 54.341 54.000 -0.125 0.000 0.852 62 D CB 0.252 41.000 40.800 -0.088 0.000 0.947 62 D HN 0.058 nan 8.370 nan 0.000 0.494 63 V N 0.909 120.536 119.914 -0.479 0.000 2.379 63 V HA -0.194 3.926 4.120 0.000 0.000 0.245 63 V C 2.130 177.813 176.094 -0.684 0.000 1.044 63 V CA 1.046 62.939 62.300 -0.678 0.000 1.036 63 V CB -0.514 30.789 31.823 -0.867 0.000 0.664 63 V HN 0.054 nan 8.190 nan 0.000 0.453 64 F N -0.201 119.421 119.950 -0.546 0.000 2.186 64 F HA -0.082 4.446 4.527 0.001 0.000 0.299 64 F C 2.104 177.829 175.800 -0.124 0.000 1.090 64 F CA 0.785 58.593 58.000 -0.320 0.000 1.307 64 F CB -1.209 37.636 39.000 -0.257 0.000 1.019 64 F HN 0.144 nan 8.300 nan 0.000 0.489 65 L N 0.589 121.851 121.223 0.066 0.000 1.989 65 L HA -0.210 4.130 4.340 0.000 0.000 0.211 65 L C 2.021 178.919 176.870 0.046 0.000 1.071 65 L CA 1.995 56.872 54.840 0.061 0.000 0.749 65 L CB -1.047 41.026 42.059 0.023 0.000 0.890 65 L HN -0.047 nan 8.230 nan 0.000 0.431 66 D N -0.902 119.488 120.400 -0.017 0.000 2.104 66 D HA -0.234 4.406 4.640 0.000 0.000 0.194 66 D C 2.003 178.417 176.300 0.189 0.000 0.994 66 D CA 1.569 55.583 54.000 0.023 0.000 0.830 66 D CB -0.432 40.346 40.800 -0.036 0.000 0.959 66 D HN 0.474 nan 8.370 nan 0.000 0.452 67 W N 1.322 122.686 121.300 0.106 0.000 2.402 67 W HA 0.134 4.794 4.660 0.001 0.000 0.286 67 W C 2.516 179.130 176.519 0.157 0.000 1.221 67 W CA 0.326 57.798 57.345 0.211 0.000 1.257 67 W CB -1.233 28.421 29.460 0.323 0.000 1.120 67 W HN -0.038 nan 8.180 nan 0.000 0.551 68 A N 0.506 123.518 122.820 0.320 0.000 1.933 68 A HA -0.192 4.128 4.320 0.000 0.000 0.218 68 A C 2.038 179.690 177.584 0.113 0.000 1.175 68 A CA 1.794 53.949 52.037 0.196 0.000 0.628 68 A CB -0.520 18.578 19.000 0.162 0.000 0.814 68 A HN 0.284 nan 8.150 nan 0.000 0.444 69 K N -0.769 119.669 120.400 0.063 0.000 2.186 69 K HA -0.015 4.305 4.320 0.000 0.000 0.202 69 K C 2.121 178.686 176.600 -0.060 0.000 1.052 69 K CA 1.289 57.570 56.287 -0.010 0.000 0.965 69 K CB -0.001 32.482 32.500 -0.028 0.000 0.746 69 K HN 0.468 nan 8.250 nan 0.000 0.457 70 K N -0.035 120.289 120.400 -0.127 0.000 2.098 70 K HA -0.052 4.268 4.320 0.000 0.000 0.203 70 K C 0.826 177.233 176.600 -0.320 0.000 1.051 70 K CA 1.091 57.175 56.287 -0.338 0.000 0.957 70 K CB 0.216 32.315 32.500 -0.667 0.000 0.738 70 K HN 0.049 nan 8.250 nan 0.000 0.447 71 Y N -0.093 120.235 120.300 0.048 0.000 2.507 71 Y HA 0.353 4.903 4.550 0.000 0.000 0.254 71 Y C 0.738 176.645 175.900 0.013 0.000 1.171 71 Y CA 0.001 58.105 58.100 0.008 0.000 1.238 71 Y CB 1.004 39.445 38.460 -0.031 0.000 1.148 71 Y HN 0.311 nan 8.280 nan 0.000 0.525 72 G N 1.339 110.216 108.800 0.128 0.000 2.627 72 G HA2 -0.196 3.765 3.960 0.000 0.000 0.214 72 G HA3 -0.196 3.765 3.960 0.000 0.000 0.214 72 G C -2.152 172.808 174.900 0.100 0.000 1.331 72 G CA -0.413 44.741 45.100 0.089 0.000 0.891 72 G HN -0.008 nan 8.290 nan 0.000 0.539 73 P HA 0.328 nan 4.420 nan 0.000 0.249 73 P C 0.025 177.367 177.300 0.070 0.000 1.229 73 P CA 0.609 63.770 63.100 0.102 0.000 0.788 73 P CB 0.365 32.131 31.700 0.111 0.000 1.072 74 V N 0.385 120.329 119.914 0.049 0.000 2.559 74 V HA 0.226 4.347 4.120 0.000 0.000 0.289 74 V C -0.620 175.468 176.094 -0.009 0.000 1.036 74 V CA -0.603 61.701 62.300 0.006 0.000 0.887 74 V CB 2.621 34.446 31.823 0.004 0.000 1.022 74 V HN -0.293 nan 8.190 nan 0.000 0.442 75 V N 4.529 124.423 119.914 -0.034 0.000 2.569 75 V HA 0.515 4.635 4.120 0.000 0.000 0.301 75 V C 0.079 176.113 176.094 -0.101 0.000 1.044 75 V CA -0.851 61.419 62.300 -0.049 0.000 0.874 75 V CB 2.141 33.991 31.823 0.046 0.000 1.002 75 V HN 0.879 nan 8.190 nan 0.000 0.424 76 R N 3.743 124.165 120.500 -0.131 0.000 2.442 76 R HA 0.621 4.961 4.340 0.000 0.000 0.291 76 R C -0.539 175.691 176.300 -0.118 0.000 1.069 76 R CA -0.071 55.953 56.100 -0.127 0.000 1.022 76 R CB 1.081 31.307 30.300 -0.124 0.000 0.976 76 R HN 0.733 nan 8.270 nan 0.000 0.443 77 V N 0.833 120.695 119.914 -0.087 0.000 3.160 77 V HA 0.573 4.694 4.120 0.000 0.000 0.310 77 V C -1.268 174.843 176.094 0.029 0.000 1.181 77 V CA -1.339 60.962 62.300 0.002 0.000 1.047 77 V CB 2.437 34.179 31.823 -0.134 0.000 1.068 77 V HN 0.737 nan 8.190 nan 0.000 0.441 78 N N 0.923 119.701 118.700 0.131 0.000 2.469 78 N HA 0.701 5.441 4.740 0.000 0.000 0.253 78 N C -1.090 174.490 175.510 0.116 0.000 0.970 78 N CA -0.192 52.922 53.050 0.107 0.000 0.940 78 N CB 1.565 40.123 38.487 0.118 0.000 1.128 78 N HN 0.811 nan 8.380 nan 0.000 0.503 79 V N 4.403 124.335 119.914 0.029 0.000 2.525 79 V HA 0.457 4.577 4.120 0.000 0.000 0.299 79 V C -0.609 175.382 176.094 -0.173 0.000 1.034 79 V CA -0.606 61.622 62.300 -0.121 0.000 0.863 79 V CB -0.120 31.655 31.823 -0.080 0.000 0.999 79 V HN 0.824 nan 8.190 nan 0.000 0.423 80 F N 6.439 126.368 119.950 -0.036 0.000 3.090 80 F HA -0.262 4.265 4.527 0.000 0.000 0.282 80 F C 0.986 176.627 175.800 -0.264 0.000 0.923 80 F CA 1.162 59.025 58.000 -0.230 0.000 0.977 80 F CB -2.083 36.852 39.000 -0.108 0.000 0.954 80 F HN 1.045 nan 8.300 nan 0.000 0.695 81 H N -3.186 115.979 119.070 0.158 0.000 3.132 81 H HA -0.161 4.395 4.556 0.000 0.000 0.237 81 H C 0.269 175.634 175.328 0.061 0.000 1.189 81 H CA 1.027 57.133 56.048 0.097 0.000 1.129 81 H CB -1.139 28.678 29.762 0.091 0.000 1.225 81 H HN 0.510 nan 8.280 nan 0.000 0.323 82 K N 0.499 120.971 120.400 0.120 0.000 2.443 82 K HA 0.458 4.778 4.320 0.000 0.000 0.251 82 K C -0.370 176.248 176.600 0.029 0.000 0.972 82 K CA -0.618 55.705 56.287 0.060 0.000 0.833 82 K CB 1.929 34.440 32.500 0.018 0.000 1.317 82 K HN 0.032 nan 8.250 nan 0.000 0.441 83 T N 1.370 115.932 114.554 0.014 0.000 2.834 83 T HA 0.268 4.618 4.350 0.000 0.000 0.298 83 T C -0.028 174.660 174.700 -0.019 0.000 0.966 83 T CA -0.398 61.699 62.100 -0.006 0.000 1.141 83 T CB 0.363 69.223 68.868 -0.013 0.000 0.905 83 T HN 0.663 nan 8.240 nan 0.000 0.535 84 S N 1.267 116.950 115.700 -0.028 0.000 2.720 84 S HA 0.764 5.234 4.470 0.000 0.000 0.287 84 S C -1.108 173.447 174.600 -0.076 0.000 1.168 84 S CA -0.930 57.255 58.200 -0.025 0.000 0.832 84 S CB 1.442 64.680 63.200 0.062 0.000 1.166 84 S HN 0.424 nan 8.310 nan 0.000 0.493 85 V N 1.625 121.477 119.914 -0.104 0.000 2.407 85 V HA 0.457 4.578 4.120 0.000 0.000 0.291 85 V C -0.371 175.591 176.094 -0.220 0.000 1.018 85 V CA -0.678 61.531 62.300 -0.151 0.000 0.842 85 V CB 1.297 33.037 31.823 -0.138 0.000 0.996 85 V HN 0.893 nan 8.190 nan 0.000 0.426 86 I N 5.975 126.407 120.570 -0.230 0.000 2.471 86 I HA 0.356 4.526 4.170 0.000 0.000 0.286 86 I C -0.656 175.351 176.117 -0.183 0.000 1.079 86 I CA 0.161 61.310 61.300 -0.252 0.000 1.398 86 I CB 0.988 38.819 38.000 -0.283 0.000 1.403 86 I HN 0.353 nan 8.210 nan 0.000 0.530 87 V N 6.795 126.558 119.914 -0.251 0.000 2.378 87 V HA 0.282 4.402 4.120 0.000 0.000 0.288 87 V C 0.629 176.745 176.094 0.036 0.000 1.016 87 V CA -0.200 62.011 62.300 -0.148 0.000 0.840 87 V CB 1.414 33.032 31.823 -0.342 0.000 0.994 87 V HN 0.881 nan 8.190 nan 0.000 0.431 88 T N -0.769 113.861 114.554 0.126 0.000 3.231 88 T HA 0.176 4.526 4.350 0.000 0.000 0.292 88 T C 0.515 175.377 174.700 0.271 0.000 1.001 88 T CA 0.121 62.358 62.100 0.228 0.000 0.920 88 T CB 0.215 69.233 68.868 0.250 0.000 1.140 88 T HN 0.637 nan 8.240 nan 0.000 0.525 89 S N 1.384 117.210 115.700 0.210 0.000 2.586 89 S HA 0.456 4.926 4.470 0.000 0.000 0.274 89 S C -1.916 172.739 174.600 0.092 0.000 1.281 89 S CA -1.159 57.154 58.200 0.187 0.000 1.035 89 S CB 1.583 64.870 63.200 0.146 0.000 0.962 89 S HN -0.075 nan 8.310 nan 0.000 0.512 90 P HA -0.015 nan 4.420 nan 0.000 0.218 90 P C 0.835 178.113 177.300 -0.036 0.000 1.149 90 P CA 1.006 64.109 63.100 0.006 0.000 0.817 90 P CB 0.039 31.735 31.700 -0.006 0.000 0.785 91 E N -0.757 119.415 120.200 -0.046 0.000 2.106 91 E HA -0.085 4.265 4.350 0.000 0.000 0.192 91 E C 2.136 178.636 176.600 -0.166 0.000 0.984 91 E CA 1.223 57.542 56.400 -0.135 0.000 0.806 91 E CB -0.959 28.695 29.700 -0.076 0.000 0.750 91 E HN 0.122 nan 8.360 nan 0.000 0.458 92 S N -0.175 115.507 115.700 -0.031 0.000 2.383 92 S HA -0.093 4.377 4.470 0.000 0.000 0.227 92 S C 2.054 176.743 174.600 0.148 0.000 1.026 92 S CA 0.759 59.007 58.200 0.081 0.000 0.981 92 S CB -0.118 63.233 63.200 0.252 0.000 0.818 92 S HN 0.050 nan 8.310 nan 0.000 0.472 93 V N 2.083 122.037 119.914 0.067 0.000 2.358 93 V HA -0.176 3.944 4.120 0.000 0.000 0.246 93 V C 2.401 178.289 176.094 -0.343 0.000 1.047 93 V CA 1.771 64.010 62.300 -0.101 0.000 1.035 93 V CB -0.505 31.269 31.823 -0.082 0.000 0.658 93 V HN 0.450 nan 8.190 nan 0.000 0.452 94 K N 0.668 120.751 120.400 -0.527 0.000 2.002 94 K HA -0.269 4.051 4.320 0.000 0.000 0.209 94 K C 2.294 178.587 176.600 -0.513 0.000 1.048 94 K CA 2.140 57.906 56.287 -0.868 0.000 0.930 94 K CB -0.215 31.461 32.500 -1.374 0.000 0.714 94 K HN 0.406 nan 8.250 nan 0.000 0.438 95 K N -0.344 119.773 120.400 -0.472 0.000 2.009 95 K HA -0.170 4.150 4.320 0.000 0.000 0.210 95 K C 1.873 178.156 176.600 -0.530 0.000 1.049 95 K CA 2.024 57.990 56.287 -0.534 0.000 0.929 95 K CB -0.213 31.824 32.500 -0.772 0.000 0.714 95 K HN 0.110 nan 8.250 nan 0.000 0.440 96 F N 0.610 120.342 119.950 -0.363 0.000 2.335 96 F HA 0.086 4.613 4.527 0.000 0.000 0.296 96 F C 1.863 177.468 175.800 -0.325 0.000 1.091 96 F CA 0.565 58.250 58.000 -0.526 0.000 1.399 96 F CB 0.019 38.766 39.000 -0.421 0.000 1.067 96 F HN -0.030 nan 8.300 nan 0.000 0.520 97 L N -0.993 120.071 121.223 -0.265 0.000 2.416 97 L HA 0.033 4.373 4.340 0.000 0.000 0.216 97 L C 1.548 178.362 176.870 -0.093 0.000 1.098 97 L CA 0.400 55.071 54.840 -0.283 0.000 0.840 97 L CB -0.230 41.523 42.059 -0.509 0.000 0.981 97 L HN 0.076 nan 8.230 nan 0.000 0.462 98 M N -0.883 118.669 119.600 -0.080 0.000 2.493 98 M HA 0.164 4.644 4.480 0.000 0.000 0.244 98 M C 0.388 176.712 176.300 0.039 0.000 1.182 98 M CA 0.342 55.639 55.300 -0.004 0.000 0.981 98 M CB -0.157 32.417 32.600 -0.044 0.000 1.551 98 M HN -0.042 nan 8.290 nan 0.000 0.476 99 S N 0.209 115.968 115.700 0.099 0.000 2.557 99 S HA 0.335 4.805 4.470 0.000 0.000 0.291 99 S C 1.119 175.754 174.600 0.058 0.000 1.116 99 S CA -0.430 57.816 58.200 0.078 0.000 0.992 99 S CB 1.250 64.519 63.200 0.116 0.000 1.028 99 S HN 0.512 nan 8.310 nan 0.000 0.484 100 T N 2.290 116.721 114.554 -0.205 0.000 3.025 100 T HA -0.032 4.318 4.350 0.000 0.000 0.270 100 T C 1.531 175.935 174.700 -0.493 0.000 1.126 100 T CA 0.912 62.630 62.100 -0.637 0.000 1.105 100 T CB -0.288 68.110 68.868 -0.784 0.000 0.884 100 T HN 0.555 nan 8.240 nan 0.000 0.522 101 K N 0.451 120.639 120.400 -0.353 0.000 2.074 101 K HA -0.016 4.304 4.320 0.000 0.000 0.209 101 K C -0.199 176.101 176.600 -0.501 0.000 1.048 101 K CA 1.035 57.027 56.287 -0.492 0.000 0.926 101 K CB -0.275 31.804 32.500 -0.701 0.000 0.713 101 K HN 0.592 nan 8.250 nan 0.000 0.444 102 Y N 0.520 120.849 120.300 0.049 0.000 2.342 102 Y HA 0.352 4.902 4.550 0.000 0.000 0.334 102 Y C 0.241 176.221 175.900 0.134 0.000 1.067 102 Y CA -0.983 57.191 58.100 0.123 0.000 1.128 102 Y CB 1.224 39.814 38.460 0.216 0.000 1.200 102 Y HN -0.056 nan 8.280 nan 0.000 0.464 103 N N 1.473 120.314 118.700 0.236 0.000 2.405 103 N HA 0.291 5.031 4.740 0.000 0.000 0.285 103 N C -1.187 174.390 175.510 0.111 0.000 1.262 103 N CA -1.052 52.087 53.050 0.149 0.000 0.773 103 N CB 2.089 40.660 38.487 0.140 0.000 1.490 103 N HN 0.503 nan 8.380 nan 0.000 0.486 104 K N 0.508 120.907 120.400 -0.003 0.000 2.469 104 K HA -0.013 4.307 4.320 0.000 0.000 0.274 104 K C -0.447 176.236 176.600 0.138 0.000 0.983 104 K CA 0.124 56.423 56.287 0.021 0.000 0.974 104 K CB 0.425 32.696 32.500 -0.383 0.000 0.913 104 K HN 0.386 nan 8.250 nan 0.000 0.493 105 D N 1.143 121.727 120.400 0.306 0.000 2.339 105 D HA 0.026 4.666 4.640 0.000 0.000 0.241 105 D C 0.731 177.191 176.300 0.267 0.000 1.183 105 D CA -0.059 54.081 54.000 0.234 0.000 0.859 105 D CB 0.956 41.861 40.800 0.174 0.000 1.067 105 D HN 0.457 nan 8.370 nan 0.000 0.484 106 S N 3.902 119.702 115.700 0.167 0.000 2.400 106 S HA -0.204 4.266 4.470 0.000 0.000 0.232 106 S C 1.757 176.427 174.600 0.116 0.000 1.025 106 S CA 0.685 58.978 58.200 0.154 0.000 0.993 106 S CB -0.004 63.257 63.200 0.101 0.000 0.808 106 S HN 0.521 nan 8.310 nan 0.000 0.478 107 K N 0.246 120.687 120.400 0.067 0.000 2.113 107 K HA -0.059 4.261 4.320 0.000 0.000 0.208 107 K C 1.900 178.471 176.600 -0.048 0.000 1.047 107 K CA 1.587 57.882 56.287 0.014 0.000 0.928 107 K CB -0.198 32.300 32.500 -0.003 0.000 0.716 107 K HN 0.334 nan 8.250 nan 0.000 0.446 108 M N -1.197 118.336 119.600 -0.112 0.000 2.388 108 M HA -0.042 4.438 4.480 0.000 0.000 0.265 108 M C 1.293 177.395 176.300 -0.330 0.000 1.088 108 M CA 1.392 56.483 55.300 -0.349 0.000 1.134 108 M CB -0.433 31.675 32.600 -0.821 0.000 1.384 108 M HN 0.109 nan 8.290 nan 0.000 0.447 109 Y N -0.429 119.845 120.300 -0.043 0.000 2.500 109 Y HA 0.181 4.732 4.550 0.000 0.000 0.270 109 Y C 2.384 178.284 175.900 0.001 0.000 1.134 109 Y CA 0.176 58.271 58.100 -0.008 0.000 1.293 109 Y CB -0.148 38.323 38.460 0.018 0.000 1.063 109 Y HN 0.129 nan 8.280 nan 0.000 0.534 110 R N 0.241 120.802 120.500 0.102 0.000 2.117 110 R HA -0.226 4.114 4.340 0.000 0.000 0.243 110 R C 2.427 178.740 176.300 0.022 0.000 1.143 110 R CA 1.255 57.393 56.100 0.063 0.000 0.968 110 R CB -0.449 29.877 30.300 0.043 0.000 0.863 110 R HN 0.351 nan 8.270 nan 0.000 0.444 111 A N 0.812 123.614 122.820 -0.030 0.000 1.948 111 A HA -0.172 4.148 4.320 0.000 0.000 0.220 111 A C 2.049 179.593 177.584 -0.067 0.000 1.177 111 A CA 1.378 53.368 52.037 -0.079 0.000 0.636 111 A CB -0.428 18.475 19.000 -0.162 0.000 0.815 111 A HN 0.247 nan 8.150 nan 0.000 0.449 112 L N -1.482 119.746 121.223 0.010 0.000 2.375 112 L HA -0.092 4.248 4.340 0.000 0.000 0.215 112 L C 2.644 179.608 176.870 0.156 0.000 1.108 112 L CA 0.636 55.556 54.840 0.133 0.000 0.830 112 L CB -0.376 41.840 42.059 0.263 0.000 0.959 112 L HN 0.438 nan 8.230 nan 0.000 0.457 113 Q N -0.536 119.332 119.800 0.112 0.000 2.119 113 Q HA -0.036 4.304 4.340 0.000 0.000 0.201 113 Q C -0.045 175.959 176.000 0.007 0.000 0.972 113 Q CA 0.996 56.854 55.803 0.091 0.000 0.847 113 Q CB 0.181 28.973 28.738 0.090 0.000 0.903 113 Q HN 0.305 nan 8.270 nan 0.000 0.433 114 T N -0.102 114.434 114.554 -0.030 0.000 3.032 114 T HA 0.462 4.812 4.350 0.000 0.000 0.312 114 T C -1.382 173.257 174.700 -0.103 0.000 1.078 114 T CA -0.569 61.496 62.100 -0.058 0.000 1.028 114 T CB 2.234 71.092 68.868 -0.016 0.000 1.091 114 T HN -0.224 nan 8.240 nan 0.000 0.457 115 V N 4.365 124.194 119.914 -0.141 0.000 2.443 115 V HA 0.437 4.557 4.120 0.000 0.000 0.293 115 V C -0.536 175.480 176.094 -0.132 0.000 1.021 115 V CA -0.773 61.374 62.300 -0.255 0.000 0.848 115 V CB 0.754 32.358 31.823 -0.366 0.000 0.998 115 V HN 0.990 nan 8.190 nan 0.000 0.424 116 F N 3.942 123.880 119.950 -0.020 0.000 3.027 116 F HA -0.194 4.333 4.527 0.000 0.000 0.276 116 F C 1.565 177.356 175.800 -0.016 0.000 0.967 116 F CA 1.454 59.446 58.000 -0.013 0.000 0.929 116 F CB -1.713 37.279 39.000 -0.014 0.000 0.873 116 F HN 1.011 nan 8.300 nan 0.000 0.787 117 G N -1.223 107.656 108.800 0.131 0.000 2.234 117 G HA2 -0.314 3.647 3.960 0.000 0.000 0.260 117 G HA3 -0.314 3.647 3.960 0.000 0.000 0.260 117 G C 0.043 174.967 174.900 0.040 0.000 0.987 117 G CA 0.392 45.536 45.100 0.073 0.000 0.625 117 G HN 0.577 nan 8.290 nan 0.000 0.532 118 E N 0.509 120.730 120.200 0.034 0.000 2.134 118 E HA 0.595 4.945 4.350 0.000 0.000 0.278 118 E C 0.565 177.142 176.600 -0.039 0.000 0.959 118 E CA -0.962 55.440 56.400 0.002 0.000 0.783 118 E CB 0.527 30.235 29.700 0.014 0.000 1.095 118 E HN 0.427 nan 8.360 nan 0.000 0.399 119 R N 3.829 124.307 120.500 -0.037 0.000 2.522 119 R HA 0.101 4.442 4.340 0.000 0.000 0.284 119 R C 0.001 176.242 176.300 -0.098 0.000 1.032 119 R CA 0.076 56.147 56.100 -0.048 0.000 1.049 119 R CB 0.256 30.544 30.300 -0.020 0.000 0.956 119 R HN 0.620 nan 8.270 nan 0.000 0.422 120 L N 4.264 125.396 121.223 -0.152 0.000 3.569 120 L HA 0.323 4.663 4.340 0.000 0.000 0.178 120 L C 0.501 177.207 176.870 -0.272 0.000 1.286 120 L CA 0.661 55.299 54.840 -0.336 0.000 0.952 120 L CB -0.039 41.660 42.059 -0.600 0.000 1.540 120 L HN 0.681 nan 8.230 nan 0.000 0.661 121 F N 0.911 120.881 119.950 0.034 0.000 2.776 121 F HA 0.485 5.013 4.527 0.000 0.000 0.300 121 F C 1.762 177.597 175.800 0.058 0.000 1.116 121 F CA 0.108 58.139 58.000 0.051 0.000 1.375 121 F CB -1.116 37.908 39.000 0.040 0.000 1.109 121 F HN 0.355 nan 8.300 nan 0.000 0.585 122 G N 0.642 109.542 108.800 0.167 0.000 2.661 122 G HA2 -0.330 3.630 3.960 0.000 0.000 0.327 122 G HA3 -0.330 3.630 3.960 0.000 0.000 0.327 122 G C 0.619 175.607 174.900 0.147 0.000 1.320 122 G CA 0.413 45.588 45.100 0.126 0.000 0.997 122 G HN 0.270 nan 8.290 nan 0.000 0.543 123 Q N 1.944 121.819 119.800 0.126 0.000 2.375 123 Q HA 0.374 4.714 4.340 0.000 0.000 0.316 123 Q C 1.178 177.255 176.000 0.128 0.000 0.927 123 Q CA 0.553 56.427 55.803 0.118 0.000 1.029 123 Q CB 0.119 28.916 28.738 0.098 0.000 1.202 123 Q HN 0.822 nan 8.270 nan 0.000 0.431 124 G N 0.487 109.377 108.800 0.150 0.000 2.647 124 G HA2 0.079 4.039 3.960 0.000 0.000 0.271 124 G HA3 0.079 4.039 3.960 0.000 0.000 0.271 124 G C 0.873 175.838 174.900 0.108 0.000 1.300 124 G CA -0.501 44.687 45.100 0.147 0.000 0.997 124 G HN 0.374 nan 8.290 nan 0.000 0.533 125 L N -0.153 121.124 121.223 0.090 0.000 2.131 125 L HA -0.058 4.282 4.340 0.000 0.000 0.210 125 L C 2.823 179.735 176.870 0.069 0.000 1.092 125 L CA 1.431 56.340 54.840 0.115 0.000 0.759 125 L CB -0.250 41.863 42.059 0.090 0.000 0.903 125 L HN 0.279 nan 8.230 nan 0.000 0.435 126 V N -1.124 118.735 119.914 -0.092 0.000 2.302 126 V HA -0.157 3.963 4.120 0.000 0.000 0.243 126 V C 2.382 178.383 176.094 -0.154 0.000 1.036 126 V CA 1.600 63.807 62.300 -0.154 0.000 1.020 126 V CB -0.957 30.718 31.823 -0.246 0.000 0.657 126 V HN 0.650 nan 8.190 nan 0.000 0.453 127 S N -0.019 115.648 115.700 -0.056 0.000 2.561 127 S HA -0.008 4.462 4.470 0.000 0.000 0.225 127 S C 0.790 175.379 174.600 -0.019 0.000 0.977 127 S CA 0.241 58.450 58.200 0.014 0.000 0.926 127 S CB -0.328 62.969 63.200 0.162 0.000 0.769 127 S HN 0.605 nan 8.310 nan 0.000 0.533 128 E N 0.693 120.892 120.200 -0.001 0.000 2.223 128 E HA 0.312 4.663 4.350 0.000 0.000 0.282 128 E C 0.049 176.628 176.600 -0.034 0.000 1.046 128 E CA -0.369 56.058 56.400 0.044 0.000 0.857 128 E CB 0.368 30.151 29.700 0.139 0.000 1.055 128 E HN 0.280 nan 8.360 nan 0.000 0.409 129 C N 4.038 123.323 119.300 -0.025 0.000 2.791 129 C HA 0.249 4.709 4.460 0.000 0.000 0.288 129 C C 0.957 175.974 174.990 0.045 0.000 1.271 129 C CA -0.584 58.397 59.018 -0.062 0.000 1.726 129 C CB -0.890 26.829 27.740 -0.035 0.000 2.145 129 C HN 0.752 nan 8.230 nan 0.000 0.572 130 N N 0.596 119.356 118.700 0.101 0.000 2.475 130 N HA -0.033 4.707 4.740 0.000 0.000 0.267 130 N C 0.501 176.151 175.510 0.233 0.000 1.169 130 N CA 0.113 53.254 53.050 0.152 0.000 0.947 130 N CB 0.487 39.052 38.487 0.130 0.000 1.061 130 N HN 0.516 nan 8.380 nan 0.000 0.466 131 Y N 4.384 124.775 120.300 0.152 0.000 2.097 131 Y HA -0.198 4.352 4.550 0.000 0.000 0.282 131 Y C 1.883 177.986 175.900 0.339 0.000 1.152 131 Y CA 1.688 59.934 58.100 0.243 0.000 1.136 131 Y CB 0.197 38.726 38.460 0.114 0.000 0.975 131 Y HN 0.601 nan 8.280 nan 0.000 0.498 132 E N 0.388 120.736 120.200 0.247 0.000 2.051 132 E HA -0.217 4.133 4.350 0.000 0.000 0.192 132 E C 2.301 178.953 176.600 0.087 0.000 0.991 132 E CA 1.432 57.918 56.400 0.142 0.000 0.799 132 E CB -0.381 29.419 29.700 0.166 0.000 0.748 132 E HN 0.549 nan 8.360 nan 0.000 0.449 133 R N -0.464 120.106 120.500 0.115 0.000 2.096 133 R HA -0.152 4.188 4.340 0.000 0.000 0.235 133 R C 2.179 178.533 176.300 0.090 0.000 1.127 133 R CA 1.459 57.614 56.100 0.092 0.000 0.968 133 R CB -0.390 29.973 30.300 0.104 0.000 0.861 133 R HN 0.280 nan 8.270 nan 0.000 0.440 134 W N 0.604 121.876 121.300 -0.047 0.000 2.436 134 W HA -0.133 4.527 4.660 0.000 0.000 0.284 134 W C 2.019 178.487 176.519 -0.085 0.000 1.225 134 W CA 1.145 58.453 57.345 -0.061 0.000 1.271 134 W CB -0.265 29.158 29.460 -0.062 0.000 1.114 134 W HN 0.126 nan 8.180 nan 0.000 0.559 135 H N 0.614 119.394 119.070 -0.483 0.000 2.389 135 H HA -0.132 4.424 4.556 0.000 0.000 0.299 135 H C 2.154 177.155 175.328 -0.546 0.000 1.081 135 H CA 1.666 57.221 56.048 -0.822 0.000 1.345 135 H CB -0.029 29.390 29.762 -0.573 0.000 1.393 135 H HN 0.147 nan 8.280 nan 0.000 0.520 136 K N 0.730 120.955 120.400 -0.292 0.000 2.057 136 K HA -0.166 4.154 4.320 0.000 0.000 0.207 136 K C 2.358 178.799 176.600 -0.266 0.000 1.049 136 K CA 1.818 57.969 56.287 -0.227 0.000 0.931 136 K CB 0.105 32.552 32.500 -0.089 0.000 0.714 136 K HN 0.599 nan 8.250 nan 0.000 0.440 137 Q N -0.298 119.335 119.800 -0.277 0.000 2.083 137 Q HA -0.157 4.183 4.340 0.000 0.000 0.198 137 Q C 2.081 177.900 176.000 -0.302 0.000 0.969 137 Q CA 0.901 56.575 55.803 -0.216 0.000 0.838 137 Q CB -0.413 28.266 28.738 -0.098 0.000 0.900 137 Q HN 0.019 nan 8.270 nan 0.000 0.436 138 R N 1.090 121.231 120.500 -0.599 0.000 2.091 138 R HA -0.131 4.210 4.340 0.000 0.000 0.238 138 R C 2.097 178.163 176.300 -0.389 0.000 1.136 138 R CA 1.736 57.484 56.100 -0.587 0.000 0.959 138 R CB -0.232 29.355 30.300 -1.189 0.000 0.856 138 R HN 0.153 nan 8.270 nan 0.000 0.437 139 R N -0.686 119.529 120.500 -0.475 0.000 2.148 139 R HA 0.057 4.398 4.340 0.000 0.000 0.223 139 R C 1.925 178.116 176.300 -0.182 0.000 1.088 139 R CA 1.186 57.085 56.100 -0.334 0.000 0.985 139 R CB -0.221 29.825 30.300 -0.423 0.000 0.880 139 R HN 0.185 nan 8.270 nan 0.000 0.451 140 V N -0.104 119.714 119.914 -0.161 0.000 2.446 140 V HA -0.069 4.051 4.120 0.000 0.000 0.244 140 V C 1.939 178.003 176.094 -0.050 0.000 1.039 140 V CA 1.288 63.533 62.300 -0.091 0.000 1.045 140 V CB -0.231 31.544 31.823 -0.079 0.000 0.681 140 V HN 0.208 nan 8.190 nan 0.000 0.459 141 I N 0.208 120.759 120.570 -0.032 0.000 2.830 141 I HA -0.148 4.022 4.170 0.000 0.000 0.263 141 I C 2.010 178.227 176.117 0.165 0.000 1.230 141 I CA 0.930 62.261 61.300 0.051 0.000 1.480 141 I CB -0.375 37.693 38.000 0.113 0.000 1.095 141 I HN 0.265 nan 8.210 nan 0.000 0.455 142 D N 0.906 121.361 120.400 0.091 0.000 2.178 142 D HA -0.135 4.505 4.640 0.000 0.000 0.201 142 D C 2.251 178.647 176.300 0.159 0.000 0.980 142 D CA 0.925 55.010 54.000 0.142 0.000 0.842 142 D CB -0.000 40.812 40.800 0.021 0.000 0.948 142 D HN 0.160 nan 8.370 nan 0.000 0.472 143 L N 0.518 121.776 121.223 0.058 0.000 2.079 143 L HA -0.114 4.226 4.340 0.000 0.000 0.210 143 L C 2.129 178.982 176.870 -0.029 0.000 1.081 143 L CA 1.179 56.023 54.840 0.007 0.000 0.752 143 L CB -1.083 40.959 42.059 -0.028 0.000 0.896 143 L HN -0.022 nan 8.230 nan 0.000 0.433 144 A N -1.844 120.930 122.820 -0.077 0.000 2.248 144 A HA -0.111 4.209 4.320 0.000 0.000 0.210 144 A C 1.282 178.554 177.584 -0.520 0.000 1.174 144 A CA 0.757 52.607 52.037 -0.312 0.000 0.750 144 A CB -0.580 18.151 19.000 -0.449 0.000 0.780 144 A HN 0.409 nan 8.150 nan 0.000 0.478 145 F N -0.172 119.776 119.950 -0.003 0.000 2.735 145 F HA 0.149 4.676 4.527 0.000 0.000 0.308 145 F C 1.224 177.030 175.800 0.010 0.000 1.112 145 F CA -0.001 58.021 58.000 0.036 0.000 1.235 145 F CB 0.153 39.196 39.000 0.071 0.000 1.027 145 F HN 0.153 nan 8.300 nan 0.000 0.528 146 S N -0.024 115.725 115.700 0.081 0.000 2.580 146 S HA 0.066 4.536 4.470 0.000 0.000 0.266 146 S C 1.603 176.199 174.600 -0.007 0.000 1.354 146 S CA -0.495 57.726 58.200 0.035 0.000 1.008 146 S CB 0.994 64.189 63.200 -0.008 0.000 0.898 146 S HN 0.499 nan 8.310 nan 0.000 0.555 147 R N 1.271 121.759 120.500 -0.021 0.000 2.134 147 R HA -0.200 4.140 4.340 0.000 0.000 0.248 147 R C 2.276 178.467 176.300 -0.181 0.000 1.143 147 R CA 2.438 58.486 56.100 -0.086 0.000 0.957 147 R CB -0.965 29.299 30.300 -0.062 0.000 0.867 147 R HN 0.876 nan 8.270 nan 0.000 0.441 148 S N -1.167 114.449 115.700 -0.140 0.000 2.496 148 S HA 0.047 4.517 4.470 0.000 0.000 0.224 148 S C 1.789 176.287 174.600 -0.170 0.000 0.996 148 S CA 0.792 58.895 58.200 -0.163 0.000 0.927 148 S CB 0.239 63.372 63.200 -0.112 0.000 0.774 148 S HN 0.358 nan 8.310 nan 0.000 0.524 149 S N 2.232 117.841 115.700 -0.152 0.000 2.371 149 S HA 0.202 4.673 4.470 0.000 0.000 0.224 149 S C 1.759 176.225 174.600 -0.222 0.000 1.029 149 S CA 1.087 59.181 58.200 -0.177 0.000 0.978 149 S CB -0.484 62.611 63.200 -0.176 0.000 0.833 149 S HN 0.475 nan 8.310 nan 0.000 0.466 150 L N 1.249 122.353 121.223 -0.198 0.000 2.109 150 L HA -0.025 4.315 4.340 0.000 0.000 0.207 150 L C 2.271 178.942 176.870 -0.333 0.000 1.086 150 L CA 0.651 55.357 54.840 -0.224 0.000 0.760 150 L CB -0.802 41.216 42.059 -0.069 0.000 0.910 150 L HN 0.169 nan 8.230 nan 0.000 0.437 151 V N -0.622 119.062 119.914 -0.383 0.000 2.469 151 V HA -0.273 3.847 4.120 0.000 0.000 0.251 151 V C 2.405 178.327 176.094 -0.287 0.000 1.064 151 V CA 1.982 64.032 62.300 -0.417 0.000 1.066 151 V CB -0.521 31.025 31.823 -0.462 0.000 0.667 151 V HN 0.394 nan 8.190 nan 0.000 0.461 152 S N -0.226 115.313 115.700 -0.268 0.000 2.547 152 S HA 0.097 4.567 4.470 0.000 0.000 0.235 152 S C 1.512 175.935 174.600 -0.294 0.000 0.980 152 S CA 0.834 58.898 58.200 -0.227 0.000 0.941 152 S CB -0.177 62.906 63.200 -0.195 0.000 0.763 152 S HN 0.532 nan 8.310 nan 0.000 0.532 153 L N -0.085 120.859 121.223 -0.465 0.000 2.616 153 L HA 0.224 4.564 4.340 0.000 0.000 0.229 153 L C 1.764 178.087 176.870 -0.911 0.000 1.110 153 L CA -0.051 54.332 54.840 -0.762 0.000 0.884 153 L CB -0.308 41.045 42.059 -1.177 0.000 1.115 153 L HN 0.261 nan 8.230 nan 0.000 0.481 154 M N 0.218 119.506 119.600 -0.520 0.000 2.260 154 M HA -0.222 4.258 4.480 0.000 0.000 0.261 154 M C 1.928 178.191 176.300 -0.062 0.000 1.066 154 M CA 1.593 56.745 55.300 -0.246 0.000 1.082 154 M CB -0.723 31.839 32.600 -0.064 0.000 1.388 154 M HN 0.252 nan 8.290 nan 0.000 0.419 155 E N -0.481 119.704 120.200 -0.026 0.000 2.051 155 E HA -0.093 4.257 4.350 0.000 0.000 0.189 155 E C 1.857 178.498 176.600 0.068 0.000 0.979 155 E CA 1.628 58.104 56.400 0.127 0.000 0.803 155 E CB 0.118 29.845 29.700 0.046 0.000 0.761 155 E HN 0.380 nan 8.360 nan 0.000 0.451 156 T N 0.796 115.320 114.554 -0.050 0.000 2.635 156 T HA -0.179 4.171 4.350 0.000 0.000 0.267 156 T C 1.391 176.196 174.700 0.176 0.000 1.040 156 T CA 1.405 63.515 62.100 0.017 0.000 1.156 156 T CB -0.412 68.423 68.868 -0.055 0.000 0.863 156 T HN 0.106 nan 8.240 nan 0.000 0.430 157 F N 2.120 122.057 119.950 -0.021 0.000 2.095 157 F HA -0.074 4.453 4.527 0.000 0.000 0.298 157 F C 2.471 178.271 175.800 -0.001 0.000 1.104 157 F CA 0.243 58.227 58.000 -0.027 0.000 1.232 157 F CB -1.280 37.675 39.000 -0.075 0.000 0.987 157 F HN 0.196 nan 8.300 nan 0.000 0.475 158 N N 0.140 118.960 118.700 0.200 0.000 2.188 158 N HA -0.173 4.568 4.740 0.000 0.000 0.184 158 N C 1.953 177.556 175.510 0.156 0.000 1.018 158 N CA 1.037 54.170 53.050 0.138 0.000 0.858 158 N CB -0.302 38.266 38.487 0.136 0.000 0.989 158 N HN 0.444 nan 8.380 nan 0.000 0.426 159 E N 0.637 120.931 120.200 0.157 0.000 2.028 159 E HA -0.133 4.217 4.350 0.000 0.000 0.191 159 E C 1.463 178.127 176.600 0.107 0.000 0.988 159 E CA 1.028 57.500 56.400 0.120 0.000 0.799 159 E CB 0.237 29.993 29.700 0.095 0.000 0.755 159 E HN -0.001 nan 8.360 nan 0.000 0.447 160 K N 0.391 120.864 120.400 0.122 0.000 2.057 160 K HA -0.035 4.285 4.320 0.000 0.000 0.206 160 K C 1.774 178.433 176.600 0.099 0.000 1.050 160 K CA 1.156 57.510 56.287 0.112 0.000 0.935 160 K CB -0.706 31.873 32.500 0.132 0.000 0.715 160 K HN 0.160 nan 8.250 nan 0.000 0.439 161 A N 1.061 123.940 122.820 0.098 0.000 1.883 161 A HA -0.228 4.093 4.320 0.000 0.000 0.217 161 A C 2.229 179.859 177.584 0.077 0.000 1.186 161 A CA 2.084 54.166 52.037 0.076 0.000 0.624 161 A CB -0.569 18.467 19.000 0.061 0.000 0.822 161 A HN 0.358 nan 8.150 nan 0.000 0.444 162 E N -0.034 120.215 120.200 0.082 0.000 2.058 162 E HA -0.268 4.082 4.350 0.000 0.000 0.194 162 E C 2.141 178.781 176.600 0.068 0.000 0.997 162 E CA 2.070 58.516 56.400 0.076 0.000 0.801 162 E CB -0.427 29.324 29.700 0.084 0.000 0.746 162 E HN 0.709 nan 8.360 nan 0.000 0.450 163 Q N -0.607 119.235 119.800 0.071 0.000 2.084 163 Q HA -0.155 4.186 4.340 0.000 0.000 0.202 163 Q C 2.262 178.303 176.000 0.068 0.000 0.978 163 Q CA 1.550 57.391 55.803 0.064 0.000 0.844 163 Q CB -0.267 28.510 28.738 0.064 0.000 0.898 163 Q HN 0.406 nan 8.270 nan 0.000 0.426 164 L N -0.083 121.188 121.223 0.080 0.000 2.012 164 L HA -0.173 4.167 4.340 0.000 0.000 0.210 164 L C 2.103 179.022 176.870 0.083 0.000 1.073 164 L CA 1.688 56.582 54.840 0.090 0.000 0.748 164 L CB -0.715 41.400 42.059 0.094 0.000 0.891 164 L HN 0.094 nan 8.230 nan 0.000 0.431 165 V N -0.033 119.927 119.914 0.076 0.000 2.343 165 V HA -0.270 3.850 4.120 0.000 0.000 0.247 165 V C 2.563 178.684 176.094 0.045 0.000 1.051 165 V CA 2.084 64.424 62.300 0.067 0.000 1.036 165 V CB -0.717 31.144 31.823 0.063 0.000 0.654 165 V HN 0.529 nan 8.190 nan 0.000 0.451 166 E N -0.059 120.167 120.200 0.043 0.000 2.051 166 E HA -0.211 4.139 4.350 0.000 0.000 0.192 166 E C 2.184 178.801 176.600 0.029 0.000 0.991 166 E CA 1.578 57.996 56.400 0.031 0.000 0.799 166 E CB -0.240 29.480 29.700 0.032 0.000 0.748 166 E HN 0.555 nan 8.360 nan 0.000 0.449 167 I N 1.000 121.594 120.570 0.040 0.000 2.264 167 I HA -0.298 3.872 4.170 0.000 0.000 0.248 167 I C 2.285 178.426 176.117 0.039 0.000 1.111 167 I CA 1.067 62.392 61.300 0.041 0.000 1.382 167 I CB -0.170 37.863 38.000 0.056 0.000 1.060 167 I HN 0.113 nan 8.210 nan 0.000 0.418 168 L N -0.079 121.170 121.223 0.043 0.000 2.109 168 L HA -0.150 4.190 4.340 0.000 0.000 0.207 168 L C 2.421 179.281 176.870 -0.016 0.000 1.086 168 L CA 1.176 56.032 54.840 0.025 0.000 0.760 168 L CB -0.540 41.547 42.059 0.048 0.000 0.910 168 L HN 0.205 nan 8.230 nan 0.000 0.437 169 E N 0.372 120.565 120.200 -0.013 0.000 2.160 169 E HA -0.219 4.132 4.350 0.000 0.000 0.195 169 E C 2.159 178.748 176.600 -0.018 0.000 0.991 169 E CA 1.088 57.473 56.400 -0.025 0.000 0.810 169 E CB -0.107 29.586 29.700 -0.012 0.000 0.742 169 E HN 0.487 nan 8.360 nan 0.000 0.466 170 A N 0.715 123.532 122.820 -0.004 0.000 2.168 170 A HA -0.112 4.208 4.320 0.000 0.000 0.215 170 A C 1.554 179.135 177.584 -0.005 0.000 1.152 170 A CA 0.936 52.972 52.037 -0.002 0.000 0.716 170 A CB 0.039 19.044 19.000 0.007 0.000 0.794 170 A HN 0.026 nan 8.150 nan 0.000 0.465 171 K N -0.761 119.633 120.400 -0.010 0.000 2.413 171 K HA 0.320 4.640 4.320 0.000 0.000 0.204 171 K C 0.392 176.975 176.600 -0.029 0.000 1.041 171 K CA 0.385 56.666 56.287 -0.011 0.000 1.082 171 K CB 0.766 33.267 32.500 0.001 0.000 0.871 171 K HN 0.256 nan 8.250 nan 0.000 0.535 172 A N 2.615 125.409 122.820 -0.043 0.000 3.063 172 A HA 0.021 4.341 4.320 0.000 0.000 0.263 172 A C 0.265 177.818 177.584 -0.052 0.000 1.736 172 A CA -0.064 51.932 52.037 -0.068 0.000 1.408 172 A CB -0.484 18.463 19.000 -0.089 0.000 1.108 172 A HN 0.294 nan 8.150 nan 0.000 0.621 173 D N -0.445 119.932 120.400 -0.039 0.000 2.433 173 D HA 0.205 4.845 4.640 0.000 0.000 0.211 173 D C 0.989 177.272 176.300 -0.027 0.000 1.114 173 D CA 0.514 54.497 54.000 -0.028 0.000 0.837 173 D CB -0.319 40.470 40.800 -0.018 0.000 0.984 173 D HN 0.835 nan 8.370 nan 0.000 0.505 174 G N 0.607 109.386 108.800 -0.035 0.000 2.147 174 G HA2 -0.344 3.616 3.960 0.000 0.000 0.244 174 G HA3 -0.344 3.616 3.960 0.000 0.000 0.244 174 G C 0.653 175.544 174.900 -0.016 0.000 1.005 174 G CA 0.650 45.733 45.100 -0.028 0.000 0.713 174 G HN 0.468 nan 8.290 nan 0.000 0.515 175 Q N -1.779 118.012 119.800 -0.014 0.000 1.891 175 Q HA 0.142 4.482 4.340 0.000 0.000 0.206 175 Q C 0.360 176.357 176.000 -0.005 0.000 0.710 175 Q CA 0.601 56.400 55.803 -0.007 0.000 0.840 175 Q CB 0.979 29.713 28.738 -0.007 0.000 1.211 175 Q HN 0.384 nan 8.270 nan 0.000 0.424 176 T N 4.047 118.597 114.554 -0.006 0.000 2.727 176 T HA 0.291 4.642 4.350 0.000 0.000 0.298 176 T C -2.648 172.055 174.700 0.004 0.000 0.942 176 T CA -1.204 60.896 62.100 0.000 0.000 0.997 176 T CB 0.983 69.852 68.868 0.001 0.000 0.917 176 T HN 0.010 nan 8.240 nan 0.000 0.487 177 P HA 0.244 nan 4.420 nan 0.000 0.271 177 P C -0.856 176.454 177.300 0.017 0.000 1.233 177 P CA -0.235 62.870 63.100 0.008 0.000 0.764 177 P CB 0.556 32.257 31.700 0.001 0.000 0.825 178 V N 2.767 122.697 119.914 0.026 0.000 2.540 178 V HA 0.256 4.377 4.120 0.000 0.000 0.302 178 V C 0.666 176.775 176.094 0.025 0.000 1.035 178 V CA -0.683 61.640 62.300 0.039 0.000 0.873 178 V CB 1.824 33.684 31.823 0.062 0.000 0.992 178 V HN 0.551 nan 8.190 nan 0.000 0.428 179 S N 5.302 121.007 115.700 0.008 0.000 2.423 179 S HA 0.169 4.639 4.470 0.000 0.000 0.302 179 S C 1.325 175.897 174.600 -0.047 0.000 1.143 179 S CA -0.628 57.551 58.200 -0.034 0.000 1.080 179 S CB 0.091 63.261 63.200 -0.051 0.000 1.081 179 S HN 0.586 nan 8.310 nan 0.000 0.522 180 M N 3.830 123.396 119.600 -0.057 0.000 2.213 180 M HA -0.105 4.376 4.480 0.000 0.000 0.263 180 M C 2.090 178.301 176.300 -0.149 0.000 1.062 180 M CA 1.391 56.640 55.300 -0.085 0.000 1.105 180 M CB -1.502 31.020 32.600 -0.130 0.000 1.385 180 M HN 0.864 nan 8.290 nan 0.000 0.417 181 Q N 0.828 120.522 119.800 -0.177 0.000 2.014 181 Q HA -0.215 4.125 4.340 0.000 0.000 0.207 181 Q C 1.464 177.313 176.000 -0.251 0.000 0.993 181 Q CA 2.214 57.889 55.803 -0.214 0.000 0.850 181 Q CB 0.031 28.641 28.738 -0.213 0.000 0.916 181 Q HN 0.393 nan 8.270 nan 0.000 0.417 182 D N -0.375 119.857 120.400 -0.280 0.000 2.117 182 D HA -0.154 4.486 4.640 0.000 0.000 0.197 182 D C 1.925 177.761 176.300 -0.774 0.000 0.987 182 D CA 1.109 54.785 54.000 -0.540 0.000 0.829 182 D CB -0.125 40.449 40.800 -0.377 0.000 0.961 182 D HN 0.334 nan 8.370 nan 0.000 0.460 183 M N 0.205 119.627 119.600 -0.295 0.000 2.117 183 M HA -0.082 4.399 4.480 0.000 0.000 0.262 183 M C 2.437 178.703 176.300 -0.056 0.000 1.065 183 M CA 0.963 56.231 55.300 -0.054 0.000 1.114 183 M CB -1.008 31.627 32.600 0.057 0.000 1.361 183 M HN 0.053 nan 8.290 nan 0.000 0.408 184 L N -1.008 120.146 121.223 -0.114 0.000 2.109 184 L HA -0.151 4.189 4.340 0.000 0.000 0.207 184 L C 2.383 179.216 176.870 -0.062 0.000 1.086 184 L CA 1.030 55.824 54.840 -0.077 0.000 0.760 184 L CB -0.960 41.029 42.059 -0.116 0.000 0.910 184 L HN 0.284 nan 8.230 nan 0.000 0.437 185 T N -1.006 113.459 114.554 -0.148 0.000 2.684 185 T HA -0.211 4.140 4.350 0.000 0.000 0.267 185 T C 1.724 176.456 174.700 0.053 0.000 1.036 185 T CA 1.576 63.631 62.100 -0.075 0.000 1.148 185 T CB -0.338 68.422 68.868 -0.180 0.000 0.863 185 T HN 0.189 nan 8.240 nan 0.000 0.436 186 Y N 1.869 122.211 120.300 0.070 0.000 2.200 186 Y HA -0.082 4.468 4.550 -0.001 0.000 0.290 186 Y C 2.965 178.902 175.900 0.062 0.000 1.137 186 Y CA 0.468 58.607 58.100 0.065 0.000 1.163 186 Y CB -1.663 36.831 38.460 0.057 0.000 0.988 186 Y HN 0.190 nan 8.280 nan 0.000 0.518 187 T N 0.128 114.808 114.554 0.211 0.000 2.674 187 T HA -0.213 4.137 4.350 0.000 0.000 0.265 187 T C 2.285 177.062 174.700 0.128 0.000 1.039 187 T CA 1.603 63.789 62.100 0.144 0.000 1.150 187 T CB -0.725 68.202 68.868 0.098 0.000 0.864 187 T HN 0.420 nan 8.240 nan 0.000 0.427 188 A N 1.434 124.327 122.820 0.122 0.000 1.902 188 A HA -0.063 4.258 4.320 0.000 0.000 0.217 188 A C 2.309 179.980 177.584 0.146 0.000 1.181 188 A CA 2.030 54.154 52.037 0.145 0.000 0.623 188 A CB -0.726 18.368 19.000 0.156 0.000 0.818 188 A HN 0.489 nan 8.150 nan 0.000 0.443 189 M N 0.257 119.907 119.600 0.084 0.000 2.065 189 M HA -0.176 4.304 4.480 0.000 0.000 0.259 189 M C 1.259 177.561 176.300 0.003 0.000 1.069 189 M CA 2.503 57.711 55.300 -0.154 0.000 1.110 189 M CB -0.533 31.941 32.600 -0.210 0.000 1.328 189 M HN 0.321 nan 8.290 nan 0.000 0.405 190 D N 0.372 120.830 120.400 0.096 0.000 2.104 190 D HA -0.153 4.488 4.640 0.000 0.000 0.194 190 D C 2.113 178.500 176.300 0.144 0.000 0.994 190 D CA 1.893 55.967 54.000 0.122 0.000 0.830 190 D CB -0.469 40.404 40.800 0.122 0.000 0.959 190 D HN 0.504 nan 8.370 nan 0.000 0.452 191 I N 0.710 121.383 120.570 0.171 0.000 2.163 191 I HA -0.222 3.948 4.170 0.000 0.000 0.243 191 I C 2.431 178.727 176.117 0.298 0.000 1.085 191 I CA 0.583 62.031 61.300 0.245 0.000 1.347 191 I CB -0.079 38.079 38.000 0.263 0.000 1.044 191 I HN 0.097 nan 8.210 nan 0.000 0.408 192 L N 1.044 122.420 121.223 0.257 0.000 1.994 192 L HA -0.196 4.144 4.340 0.000 0.000 0.208 192 L C 2.751 179.766 176.870 0.241 0.000 1.071 192 L CA 2.414 57.408 54.840 0.256 0.000 0.745 192 L CB -1.114 41.017 42.059 0.120 0.000 0.892 192 L HN 0.247 nan 8.230 nan 0.000 0.431 193 A N 0.360 123.336 122.820 0.259 0.000 1.892 193 A HA -0.318 4.002 4.320 0.000 0.000 0.218 193 A C 2.300 180.039 177.584 0.258 0.000 1.188 193 A CA 2.451 54.740 52.037 0.419 0.000 0.631 193 A CB -0.612 18.603 19.000 0.358 0.000 0.822 193 A HN 0.487 nan 8.150 nan 0.000 0.447 194 K N -0.026 120.463 120.400 0.148 0.000 2.001 194 K HA 0.049 4.370 4.320 0.000 0.000 0.208 194 K C 2.072 178.707 176.600 0.059 0.000 1.048 194 K CA 1.855 58.187 56.287 0.076 0.000 0.932 194 K CB -0.765 31.773 32.500 0.063 0.000 0.715 194 K HN 0.313 nan 8.250 nan 0.000 0.437 195 A N 0.384 123.262 122.820 0.097 0.000 1.877 195 A HA -0.033 4.287 4.320 0.000 0.000 0.216 195 A C 2.375 179.939 177.584 -0.033 0.000 1.186 195 A CA 2.319 54.385 52.037 0.049 0.000 0.620 195 A CB -1.097 18.026 19.000 0.204 0.000 0.822 195 A HN 0.458 nan 8.150 nan 0.000 0.443 196 A N -2.252 120.506 122.820 -0.103 0.000 1.935 196 A HA 0.336 4.656 4.320 0.000 0.000 0.214 196 A C 1.652 178.898 177.584 -0.563 0.000 1.178 196 A CA 1.129 52.874 52.037 -0.487 0.000 0.640 196 A CB -0.290 18.174 19.000 -0.893 0.000 0.825 196 A HN 0.501 nan 8.150 nan 0.000 0.447 197 F N -1.775 118.241 119.950 0.110 0.000 2.746 197 F HA 0.373 4.901 4.527 0.001 0.000 0.313 197 F C 1.675 177.487 175.800 0.021 0.000 1.095 197 F CA 0.431 58.523 58.000 0.153 0.000 1.224 197 F CB 0.703 39.945 39.000 0.403 0.000 1.060 197 F HN 0.319 nan 8.300 nan 0.000 0.584 198 G N 1.190 110.049 108.800 0.099 0.000 2.160 198 G HA2 -0.258 3.702 3.960 0.000 0.000 0.251 198 G HA3 -0.258 3.702 3.960 0.000 0.000 0.251 198 G C 0.073 174.919 174.900 -0.089 0.000 1.008 198 G CA 0.053 45.153 45.100 -0.001 0.000 0.724 198 G HN 0.098 nan 8.290 nan 0.000 0.514 199 M N -0.119 119.386 119.600 -0.159 0.000 2.578 199 M HA 0.523 5.003 4.480 0.000 0.000 0.321 199 M C -0.170 176.005 176.300 -0.208 0.000 1.182 199 M CA -0.725 54.340 55.300 -0.390 0.000 0.965 199 M CB 1.670 33.579 32.600 -1.151 0.000 1.694 199 M HN 0.015 nan 8.290 nan 0.000 0.461 200 E N 1.623 121.720 120.200 -0.171 0.000 2.114 200 E HA 0.278 4.628 4.350 0.000 0.000 0.266 200 E C 0.577 177.181 176.600 0.007 0.000 0.896 200 E CA -0.005 56.367 56.400 -0.046 0.000 0.750 200 E CB 1.494 31.176 29.700 -0.030 0.000 1.121 200 E HN 0.755 nan 8.360 nan 0.000 0.413 201 T N -1.756 112.850 114.554 0.087 0.000 2.976 201 T HA -0.052 4.298 4.350 0.000 0.000 0.257 201 T C 0.941 175.703 174.700 0.104 0.000 1.051 201 T CA 0.325 62.524 62.100 0.165 0.000 1.141 201 T CB 0.007 69.031 68.868 0.260 0.000 0.881 201 T HN 0.324 nan 8.240 nan 0.000 0.461 202 S N 0.824 116.568 115.700 0.072 0.000 3.561 202 S HA -0.203 4.267 4.470 0.000 0.000 0.318 202 S C 1.058 175.655 174.600 -0.004 0.000 1.181 202 S CA 0.879 59.100 58.200 0.036 0.000 0.916 202 S CB -2.299 60.916 63.200 0.025 0.000 0.966 202 S HN 0.605 nan 8.310 nan 0.000 0.550 203 M N -0.075 119.524 119.600 -0.002 0.000 2.144 203 M HA -0.144 4.336 4.480 0.000 0.000 0.260 203 M C 2.031 178.147 176.300 -0.306 0.000 1.067 203 M CA 1.811 57.022 55.300 -0.147 0.000 1.095 203 M CB -0.523 32.056 32.600 -0.036 0.000 1.365 203 M HN 0.477 nan 8.290 nan 0.000 0.406 204 L N -0.004 121.164 121.223 -0.092 0.000 2.189 204 L HA -0.187 4.153 4.340 0.000 0.000 0.214 204 L C 1.735 178.566 176.870 -0.065 0.000 1.097 204 L CA 0.928 55.745 54.840 -0.037 0.000 0.764 204 L CB -0.414 41.683 42.059 0.063 0.000 0.900 204 L HN 0.374 nan 8.230 nan 0.000 0.436 205 L N -0.859 120.326 121.223 -0.062 0.000 2.741 205 L HA 0.285 4.626 4.340 0.000 0.000 0.237 205 L C 1.282 178.112 176.870 -0.067 0.000 1.178 205 L CA 0.323 55.136 54.840 -0.044 0.000 0.973 205 L CB -0.024 42.027 42.059 -0.013 0.000 1.255 205 L HN 0.367 nan 8.230 nan 0.000 0.498 206 G N 0.197 108.916 108.800 -0.136 0.000 2.159 206 G HA2 -0.268 3.692 3.960 0.000 0.000 0.256 206 G HA3 -0.268 3.692 3.960 0.000 0.000 0.256 206 G C 0.410 175.259 174.900 -0.085 0.000 0.977 206 G CA 0.128 45.147 45.100 -0.134 0.000 0.652 206 G HN 0.518 nan 8.290 nan 0.000 0.531 207 A N -0.881 121.903 122.820 -0.061 0.000 2.259 207 A HA 0.680 5.000 4.320 0.000 0.000 0.278 207 A C 1.277 178.870 177.584 0.015 0.000 1.107 207 A CA 1.018 53.052 52.037 -0.005 0.000 0.828 207 A CB 0.182 19.195 19.000 0.022 0.000 1.111 207 A HN 1.191 nan 8.150 nan 0.000 0.498 208 Q N -1.062 118.781 119.800 0.072 0.000 2.453 208 Q HA -0.172 4.168 4.340 0.000 0.000 0.294 208 Q C 0.822 176.883 176.000 0.101 0.000 1.295 208 Q CA 0.979 56.859 55.803 0.128 0.000 0.853 208 Q CB -1.275 27.577 28.738 0.190 0.000 1.193 208 Q HN 0.795 nan 8.270 nan 0.000 0.461 209 K N -0.218 120.214 120.400 0.054 0.000 2.026 209 K HA -0.078 4.243 4.320 0.000 0.000 0.208 209 K C -0.571 176.043 176.600 0.023 0.000 1.048 209 K CA 1.449 57.757 56.287 0.035 0.000 0.929 209 K CB -0.848 31.660 32.500 0.013 0.000 0.713 209 K HN 0.312 nan 8.250 nan 0.000 0.439 210 P HA -0.163 nan 4.420 nan 0.000 0.216 210 P C 1.624 178.802 177.300 -0.204 0.000 1.150 210 P CA 0.932 63.947 63.100 -0.140 0.000 0.837 210 P CB -0.025 31.596 31.700 -0.132 0.000 0.786 211 L N 0.545 121.807 121.223 0.064 0.000 2.093 211 L HA -0.099 4.241 4.340 0.000 0.000 0.208 211 L C 2.452 179.427 176.870 0.175 0.000 1.085 211 L CA 2.409 57.387 54.840 0.230 0.000 0.755 211 L CB -1.401 40.887 42.059 0.382 0.000 0.904 211 L HN 0.011 nan 8.230 nan 0.000 0.435 212 S N -1.469 114.330 115.700 0.164 0.000 2.406 212 S HA -0.218 4.253 4.470 0.000 0.000 0.228 212 S C 1.988 176.659 174.600 0.118 0.000 1.020 212 S CA 0.895 59.211 58.200 0.192 0.000 0.965 212 S CB -0.538 62.813 63.200 0.251 0.000 0.798 212 S HN 0.607 nan 8.310 nan 0.000 0.488 213 Q N 2.150 121.975 119.800 0.040 0.000 2.050 213 Q HA 0.068 4.409 4.340 0.000 0.000 0.202 213 Q C 2.171 178.150 176.000 -0.035 0.000 0.980 213 Q CA 1.993 57.790 55.803 -0.010 0.000 0.840 213 Q CB -1.017 27.682 28.738 -0.064 0.000 0.898 213 Q HN 0.654 nan 8.270 nan 0.000 0.424 214 A N -0.452 122.308 122.820 -0.100 0.000 1.940 214 A HA -0.138 4.182 4.320 0.000 0.000 0.219 214 A C 2.263 179.877 177.584 0.049 0.000 1.176 214 A CA 1.699 53.687 52.037 -0.082 0.000 0.631 214 A CB -0.781 18.121 19.000 -0.164 0.000 0.814 214 A HN 0.302 nan 8.150 nan 0.000 0.446 215 V N 0.320 120.310 119.914 0.127 0.000 2.379 215 V HA -0.233 3.887 4.120 0.000 0.000 0.245 215 V C 2.519 178.693 176.094 0.133 0.000 1.044 215 V CA 2.199 64.617 62.300 0.196 0.000 1.036 215 V CB -0.631 31.393 31.823 0.336 0.000 0.664 215 V HN 0.723 nan 8.190 nan 0.000 0.453 216 K N 0.143 120.605 120.400 0.102 0.000 2.103 216 K HA -0.182 4.138 4.320 0.000 0.000 0.207 216 K C 2.037 178.665 176.600 0.048 0.000 1.048 216 K CA 1.737 58.063 56.287 0.066 0.000 0.930 216 K CB -0.169 32.362 32.500 0.052 0.000 0.716 216 K HN 0.430 nan 8.250 nan 0.000 0.444 217 L N 0.487 121.733 121.223 0.039 0.000 2.209 217 L HA -0.064 4.276 4.340 0.000 0.000 0.207 217 L C 2.735 179.631 176.870 0.045 0.000 1.094 217 L CA 0.239 55.100 54.840 0.035 0.000 0.790 217 L CB -0.375 41.696 42.059 0.019 0.000 0.932 217 L HN 0.316 nan 8.230 nan 0.000 0.447 218 M N 0.677 120.301 119.600 0.041 0.000 2.080 218 M HA -0.199 4.281 4.480 0.000 0.000 0.260 218 M C 2.208 178.518 176.300 0.016 0.000 1.068 218 M CA 2.062 57.375 55.300 0.022 0.000 1.109 218 M CB -0.517 32.099 32.600 0.026 0.000 1.342 218 M HN 0.216 nan 8.290 nan 0.000 0.405 219 L N -0.148 121.101 121.223 0.043 0.000 2.093 219 L HA -0.187 4.153 4.340 0.000 0.000 0.208 219 L C 2.262 179.146 176.870 0.023 0.000 1.085 219 L CA 1.196 56.058 54.840 0.036 0.000 0.755 219 L CB -0.698 41.388 42.059 0.044 0.000 0.904 219 L HN 0.337 nan 8.230 nan 0.000 0.435 220 E N 0.129 120.350 120.200 0.034 0.000 2.153 220 E HA -0.172 4.178 4.350 0.000 0.000 0.194 220 E C 2.241 178.878 176.600 0.062 0.000 0.988 220 E CA 0.992 57.419 56.400 0.045 0.000 0.811 220 E CB -0.250 29.480 29.700 0.051 0.000 0.746 220 E HN 0.575 nan 8.360 nan 0.000 0.466 221 G N 1.557 110.391 108.800 0.056 0.000 2.402 221 G HA2 -0.205 3.755 3.960 0.000 0.000 0.216 221 G HA3 -0.205 3.755 3.960 0.000 0.000 0.216 221 G C 1.559 176.365 174.900 -0.158 0.000 1.162 221 G CA 0.357 45.485 45.100 0.046 0.000 0.777 221 G HN 0.064 nan 8.290 nan 0.000 0.539 222 I N 1.481 121.971 120.570 -0.134 0.000 2.091 222 I HA -0.204 3.966 4.170 0.000 0.000 0.239 222 I C 2.949 178.987 176.117 -0.132 0.000 1.061 222 I CA 1.971 63.174 61.300 -0.163 0.000 1.317 222 I CB -1.655 36.299 38.000 -0.076 0.000 1.031 222 I HN 0.138 nan 8.210 nan 0.000 0.401 223 T N 1.588 116.114 114.554 -0.047 0.000 2.597 223 T HA -0.252 4.099 4.350 0.000 0.000 0.267 223 T C 2.035 176.757 174.700 0.036 0.000 1.053 223 T CA 2.166 64.268 62.100 0.004 0.000 1.165 223 T CB -0.563 68.326 68.868 0.035 0.000 0.863 223 T HN 0.524 nan 8.240 nan 0.000 0.427 224 A N 1.735 124.601 122.820 0.078 0.000 1.933 224 A HA -0.121 4.199 4.320 0.000 0.000 0.218 224 A C 2.569 180.276 177.584 0.204 0.000 1.175 224 A CA 2.261 54.404 52.037 0.177 0.000 0.628 224 A CB -0.837 18.341 19.000 0.297 0.000 0.814 224 A HN 0.644 nan 8.150 nan 0.000 0.444 225 S N 0.081 115.799 115.700 0.030 0.000 2.453 225 S HA -0.124 4.346 4.470 0.000 0.000 0.231 225 S C 1.726 176.351 174.600 0.042 0.000 1.005 225 S CA 0.976 59.135 58.200 -0.068 0.000 0.949 225 S CB -0.271 62.531 63.200 -0.664 0.000 0.774 225 S HN 0.816 nan 8.310 nan 0.000 0.510 226 R N 0.426 120.919 120.500 -0.013 0.000 2.437 226 R HA 0.301 4.641 4.340 0.000 0.000 0.257 226 R C -0.419 175.861 176.300 -0.034 0.000 0.927 226 R CA -0.219 55.854 56.100 -0.045 0.000 1.078 226 R CB -0.083 30.035 30.300 -0.304 0.000 1.161 226 R HN 0.177 nan 8.270 nan 0.000 0.529 227 N N 2.226 120.968 118.700 0.071 0.000 2.918 227 N HA 0.151 4.891 4.740 0.000 0.000 0.270 227 N C -1.066 174.565 175.510 0.202 0.000 1.536 227 N CA 0.162 53.261 53.050 0.081 0.000 0.877 227 N CB 1.512 40.065 38.487 0.111 0.000 1.190 227 N HN 0.144 nan 8.380 nan 0.000 0.492 237 R N 1.701 122.151 120.500 -0.085 0.000 2.223 237 R HA 0.132 4.472 4.340 0.000 0.000 0.198 237 R C 1.974 178.228 176.300 -0.076 0.000 0.984 237 R CA 0.549 56.591 56.100 -0.097 0.000 1.018 237 R CB 0.386 30.642 30.300 -0.074 0.000 0.945 237 R HN 0.011 nan 8.270 nan 0.000 0.479 238 K N 1.068 121.435 120.400 -0.054 0.000 2.001 238 K HA -0.190 4.130 4.320 0.000 0.000 0.208 238 K C 1.823 178.400 176.600 -0.039 0.000 1.048 238 K CA 1.405 57.668 56.287 -0.039 0.000 0.932 238 K CB -0.115 32.369 32.500 -0.027 0.000 0.715 238 K HN 0.105 nan 8.250 nan 0.000 0.437 239 Q N 0.430 120.206 119.800 -0.040 0.000 2.077 239 Q HA -0.188 4.152 4.340 0.000 0.000 0.206 239 Q C 2.182 178.159 176.000 -0.039 0.000 0.989 239 Q CA 1.310 57.100 55.803 -0.022 0.000 0.853 239 Q CB -0.046 28.686 28.738 -0.012 0.000 0.907 239 Q HN 0.342 nan 8.270 nan 0.000 0.418 240 L N 0.769 121.915 121.223 -0.128 0.000 2.079 240 L HA -0.208 4.132 4.340 0.000 0.000 0.210 240 L C 2.624 179.447 176.870 -0.079 0.000 1.081 240 L CA 2.005 56.712 54.840 -0.223 0.000 0.752 240 L CB -0.841 41.016 42.059 -0.337 0.000 0.896 240 L HN 0.345 nan 8.230 nan 0.000 0.433 241 R N -0.341 120.127 120.500 -0.053 0.000 2.062 241 R HA -0.158 4.183 4.340 0.000 0.000 0.226 241 R C 2.006 178.307 176.300 0.001 0.000 1.125 241 R CA 0.994 57.081 56.100 -0.021 0.000 0.966 241 R CB -0.024 30.261 30.300 -0.025 0.000 0.861 241 R HN 0.074 nan 8.270 nan 0.000 0.433 242 E N 0.342 120.540 120.200 -0.002 0.000 2.086 242 E HA -0.179 4.171 4.350 0.000 0.000 0.200 242 E C 1.878 178.493 176.600 0.025 0.000 1.012 242 E CA 1.771 58.173 56.400 0.002 0.000 0.812 242 E CB -0.226 29.473 29.700 -0.002 0.000 0.743 242 E HN 0.179 nan 8.360 nan 0.000 0.453 243 V N 0.434 120.387 119.914 0.064 0.000 2.358 243 V HA -0.225 3.896 4.120 0.000 0.000 0.246 243 V C 2.224 178.379 176.094 0.101 0.000 1.047 243 V CA 1.880 64.248 62.300 0.113 0.000 1.035 243 V CB -0.357 31.618 31.823 0.253 0.000 0.658 243 V HN 0.221 nan 8.190 nan 0.000 0.452 244 R N -0.201 120.360 120.500 0.102 0.000 2.075 244 R HA -0.186 4.154 4.340 0.000 0.000 0.232 244 R C 2.336 178.663 176.300 0.044 0.000 1.126 244 R CA 1.638 57.782 56.100 0.074 0.000 0.963 244 R CB -0.308 30.030 30.300 0.064 0.000 0.858 244 R HN 0.577 nan 8.270 nan 0.000 0.435 245 E N 0.545 120.767 120.200 0.037 0.000 2.085 245 E HA -0.173 4.177 4.350 0.000 0.000 0.194 245 E C 1.865 178.500 176.600 0.059 0.000 0.994 245 E CA 1.690 58.113 56.400 0.038 0.000 0.801 245 E CB 0.120 29.829 29.700 0.015 0.000 0.743 245 E HN 0.146 nan 8.360 nan 0.000 0.453 246 S N -0.032 115.688 115.700 0.033 0.000 2.383 246 S HA -0.109 4.362 4.470 0.000 0.000 0.227 246 S C 1.903 176.544 174.600 0.069 0.000 1.026 246 S CA 0.926 59.148 58.200 0.036 0.000 0.981 246 S CB -0.151 63.053 63.200 0.006 0.000 0.818 246 S HN 0.264 nan 8.310 nan 0.000 0.472 247 I N 1.135 121.721 120.570 0.026 0.000 2.252 247 I HA -0.158 4.012 4.170 0.000 0.000 0.245 247 I C 2.686 178.793 176.117 -0.018 0.000 1.102 247 I CA 1.053 62.340 61.300 -0.021 0.000 1.385 247 I CB -0.275 37.690 38.000 -0.058 0.000 1.064 247 I HN 0.156 nan 8.210 nan 0.000 0.414 248 R N 0.100 120.605 120.500 0.007 0.000 2.091 248 R HA -0.208 4.132 4.340 0.000 0.000 0.238 248 R C 2.385 178.676 176.300 -0.014 0.000 1.136 248 R CA 1.826 57.920 56.100 -0.010 0.000 0.959 248 R CB -0.666 29.640 30.300 0.009 0.000 0.856 248 R HN 0.253 nan 8.270 nan 0.000 0.437 249 F N 1.413 121.303 119.950 -0.100 0.000 2.065 249 F HA -0.286 4.242 4.527 0.002 0.000 0.298 249 F C 2.029 177.713 175.800 -0.194 0.000 1.112 249 F CA 1.427 59.354 58.000 -0.122 0.000 1.212 249 F CB -0.222 38.727 39.000 -0.085 0.000 0.975 249 F HN -0.090 nan 8.300 nan 0.000 0.476 250 L N 0.537 121.762 121.223 0.002 0.000 2.013 250 L HA -0.231 4.109 4.340 0.000 0.000 0.212 250 L C 2.481 179.170 176.870 -0.301 0.000 1.073 250 L CA 1.774 56.500 54.840 -0.189 0.000 0.753 250 L CB -1.212 40.780 42.059 -0.113 0.000 0.890 250 L HN 0.105 nan 8.230 nan 0.000 0.432 251 R N -1.301 119.070 120.500 -0.214 0.000 2.148 251 R HA -0.186 4.154 4.340 0.000 0.000 0.227 251 R C 2.192 178.281 176.300 -0.351 0.000 1.103 251 R CA 0.903 56.862 56.100 -0.235 0.000 0.983 251 R CB -0.150 30.067 30.300 -0.139 0.000 0.874 251 R HN 0.322 nan 8.270 nan 0.000 0.451 252 Q N 0.579 120.156 119.800 -0.372 0.000 2.123 252 Q HA -0.059 4.281 4.340 0.000 0.000 0.199 252 Q C 1.895 177.558 176.000 -0.561 0.000 0.966 252 Q CA 1.304 56.861 55.803 -0.409 0.000 0.845 252 Q CB -0.068 28.446 28.738 -0.374 0.000 0.907 252 Q HN 0.077 nan 8.270 nan 0.000 0.439 253 V N 0.224 119.699 119.914 -0.733 0.000 2.332 253 V HA -0.242 3.878 4.120 0.000 0.000 0.248 253 V C 2.142 177.468 176.094 -1.279 0.000 1.055 253 V CA 1.991 63.721 62.300 -0.950 0.000 1.038 253 V CB -1.292 29.936 31.823 -0.992 0.000 0.651 253 V HN 0.601 nan 8.190 nan 0.000 0.450 254 G N -0.847 107.094 108.800 -1.431 0.000 2.421 254 G HA2 -0.264 3.696 3.960 0.000 0.000 0.216 254 G HA3 -0.264 3.696 3.960 0.000 0.000 0.216 254 G C 1.737 176.058 174.900 -0.965 0.000 1.171 254 G CA 0.807 44.669 45.100 -2.063 0.000 0.775 254 G HN 0.383 nan 8.290 nan 0.000 0.543 255 R N 0.160 120.303 120.500 -0.595 0.000 2.096 255 R HA -0.117 4.223 4.340 0.000 0.000 0.240 255 R C 2.321 178.474 176.300 -0.244 0.000 1.139 255 R CA 1.747 57.651 56.100 -0.328 0.000 0.952 255 R CB -0.313 29.837 30.300 -0.250 0.000 0.854 255 R HN 0.271 nan 8.270 nan 0.000 0.436 256 D N -0.599 119.641 120.400 -0.266 0.000 2.108 256 D HA -0.216 4.424 4.640 0.000 0.000 0.190 256 D C 1.601 177.952 176.300 0.084 0.000 0.995 256 D CA 1.198 55.146 54.000 -0.088 0.000 0.834 256 D CB -0.397 40.364 40.800 -0.065 0.000 0.967 256 D HN 0.297 nan 8.370 nan 0.000 0.446 257 W N 0.739 121.889 121.300 -0.251 0.000 2.525 257 W HA 0.025 4.685 4.660 -0.000 0.000 0.259 257 W C 2.192 178.658 176.519 -0.088 0.000 1.253 257 W CA -0.061 57.203 57.345 -0.134 0.000 1.262 257 W CB -1.125 28.272 29.460 -0.105 0.000 1.122 257 W HN -0.115 nan 8.180 nan 0.000 0.607 258 V N 0.070 120.009 119.914 0.042 0.000 2.407 258 V HA -0.245 3.875 4.120 0.000 0.000 0.245 258 V C 2.532 178.646 176.094 0.033 0.000 1.041 258 V CA 1.536 63.856 62.300 0.034 0.000 1.040 258 V CB -0.573 31.226 31.823 -0.040 0.000 0.671 258 V HN -0.020 nan 8.190 nan 0.000 0.455 259 Q N -0.023 119.781 119.800 0.007 0.000 2.061 259 Q HA -0.228 4.112 4.340 0.000 0.000 0.204 259 Q C 2.338 178.353 176.000 0.025 0.000 0.984 259 Q CA 1.856 57.664 55.803 0.008 0.000 0.846 259 Q CB -0.484 28.249 28.738 -0.007 0.000 0.902 259 Q HN 0.507 nan 8.270 nan 0.000 0.421 260 R N 0.066 120.592 120.500 0.044 0.000 2.080 260 R HA -0.176 4.164 4.340 0.000 0.000 0.236 260 R C 2.295 178.612 176.300 0.029 0.000 1.137 260 R CA 1.814 57.932 56.100 0.031 0.000 0.943 260 R CB -0.133 30.182 30.300 0.025 0.000 0.846 260 R HN 0.016 nan 8.270 nan 0.000 0.431 261 R N 0.679 121.212 120.500 0.055 0.000 2.083 261 R HA -0.098 4.242 4.340 0.000 0.000 0.237 261 R C 2.017 178.338 176.300 0.035 0.000 1.137 261 R CA 1.905 58.038 56.100 0.054 0.000 0.951 261 R CB -0.291 30.067 30.300 0.096 0.000 0.851 261 R HN 0.179 nan 8.270 nan 0.000 0.434 262 R N -0.356 120.164 120.500 0.033 0.000 2.075 262 R HA -0.081 4.259 4.340 0.000 0.000 0.232 262 R C 2.133 178.440 176.300 0.012 0.000 1.126 262 R CA 1.474 57.587 56.100 0.021 0.000 0.963 262 R CB -0.247 30.063 30.300 0.017 0.000 0.858 262 R HN 0.179 nan 8.270 nan 0.000 0.435 263 E N 0.504 120.710 120.200 0.010 0.000 2.150 263 E HA -0.095 4.256 4.350 0.000 0.000 0.193 263 E C 1.712 178.313 176.600 0.002 0.000 0.985 263 E CA 1.369 57.772 56.400 0.004 0.000 0.814 263 E CB -0.097 29.605 29.700 0.003 0.000 0.752 263 E HN 0.348 nan 8.360 nan 0.000 0.466 264 A N 0.035 122.857 122.820 0.003 0.000 1.872 264 A HA -0.094 4.226 4.320 0.000 0.000 0.214 264 A C 2.250 179.833 177.584 -0.001 0.000 1.187 264 A CA 1.075 53.111 52.037 -0.001 0.000 0.614 264 A CB -0.644 18.355 19.000 -0.002 0.000 0.826 264 A HN 0.271 nan 8.150 nan 0.000 0.442 265 L N -0.551 120.673 121.223 0.003 0.000 2.017 265 L HA -0.218 4.123 4.340 0.000 0.000 0.208 265 L C 2.635 179.505 176.870 -0.001 0.000 1.073 265 L CA 1.725 56.566 54.840 0.001 0.000 0.745 265 L CB -0.459 41.603 42.059 0.005 0.000 0.894 265 L HN 0.350 nan 8.230 nan 0.000 0.432 266 K N 0.471 120.871 120.400 0.001 0.000 2.020 266 K HA -0.212 4.108 4.320 0.000 0.000 0.212 266 K C 1.935 178.534 176.600 -0.003 0.000 1.050 266 K CA 1.918 58.205 56.287 -0.001 0.000 0.929 266 K CB -0.172 32.328 32.500 -0.000 0.000 0.714 266 K HN 0.417 nan 8.250 nan 0.000 0.443 267 R N -0.091 120.407 120.500 -0.004 0.000 2.346 267 R HA 0.059 4.399 4.340 0.000 0.000 0.199 267 R C 0.875 177.172 176.300 -0.006 0.000 1.015 267 R CA 0.697 56.794 56.100 -0.005 0.000 1.058 267 R CB -0.194 30.103 30.300 -0.006 0.000 0.921 267 R HN 0.266 nan 8.270 nan 0.000 0.475 268 G N 1.262 110.059 108.800 -0.006 0.000 2.160 268 G HA2 -0.305 3.655 3.960 0.000 0.000 0.244 268 G HA3 -0.305 3.655 3.960 0.000 0.000 0.244 268 G C -0.391 174.504 174.900 -0.009 0.000 1.022 268 G CA 0.121 45.217 45.100 -0.007 0.000 0.741 268 G HN 0.565 nan 8.290 nan 0.000 0.508 269 E N 0.019 120.213 120.200 -0.009 0.000 2.392 269 E HA 0.348 4.698 4.350 0.000 0.000 0.259 269 E C 0.052 176.645 176.600 -0.013 0.000 1.108 269 E CA -0.195 56.198 56.400 -0.012 0.000 0.916 269 E CB 0.879 30.572 29.700 -0.012 0.000 0.989 269 E HN 0.347 nan 8.360 nan 0.000 0.432 270 E N 1.655 121.845 120.200 -0.016 0.000 2.092 270 E HA 0.179 4.529 4.350 0.000 0.000 0.271 270 E C -0.932 175.654 176.600 -0.023 0.000 0.919 270 E CA -0.423 55.966 56.400 -0.019 0.000 0.760 270 E CB 1.474 31.161 29.700 -0.021 0.000 1.106 270 E HN 0.278 nan 8.360 nan 0.000 0.408 271 V N 2.002 121.903 119.914 -0.021 0.000 2.350 271 V HA 0.419 4.539 4.120 0.000 0.000 0.276 271 V C -2.279 173.795 176.094 -0.033 0.000 1.028 271 V CA -2.184 60.102 62.300 -0.024 0.000 0.860 271 V CB 0.445 32.260 31.823 -0.013 0.000 0.990 271 V HN 0.437 nan 8.190 nan 0.000 0.453 272 P HA 0.226 nan 4.420 nan 0.000 0.262 272 P C 0.393 177.654 177.300 -0.065 0.000 1.182 272 P CA 0.514 63.580 63.100 -0.057 0.000 0.761 272 P CB 0.386 32.046 31.700 -0.066 0.000 0.795 273 A N 3.393 126.170 122.820 -0.071 0.000 2.584 273 A HA 0.271 4.591 4.320 0.000 0.000 0.239 273 A C 0.602 178.116 177.584 -0.116 0.000 1.043 273 A CA 0.474 52.460 52.037 -0.084 0.000 0.756 273 A CB -0.374 18.575 19.000 -0.085 0.000 0.963 273 A HN 0.673 nan 8.150 nan 0.000 0.511 274 D N 0.903 121.224 120.400 -0.131 0.000 2.958 274 D HA 0.321 4.962 4.640 0.000 0.000 0.306 274 D C 0.665 176.815 176.300 -0.251 0.000 1.226 274 D CA -0.473 53.412 54.000 -0.191 0.000 1.032 274 D CB -0.086 40.614 40.800 -0.166 0.000 1.400 274 D HN 0.189 nan 8.370 nan 0.000 0.587 275 I N -0.454 119.903 120.570 -0.355 0.000 2.202 275 I HA -0.137 4.033 4.170 0.000 0.000 0.242 275 I C 2.232 178.151 176.117 -0.330 0.000 1.091 275 I CA 0.771 61.790 61.300 -0.468 0.000 1.368 275 I CB -0.191 37.403 38.000 -0.676 0.000 1.058 275 I HN 0.263 nan 8.210 nan 0.000 0.410 276 L N 0.431 121.520 121.223 -0.223 0.000 2.042 276 L HA -0.233 4.107 4.340 0.000 0.000 0.210 276 L C 2.488 179.380 176.870 0.036 0.000 1.076 276 L CA 2.176 57.049 54.840 0.056 0.000 0.749 276 L CB -1.167 41.064 42.059 0.286 0.000 0.893 276 L HN 0.233 nan 8.230 nan 0.000 0.432 277 T N -0.687 113.855 114.554 -0.021 0.000 2.665 277 T HA -0.230 4.120 4.350 0.000 0.000 0.268 277 T C 1.792 176.474 174.700 -0.029 0.000 1.035 277 T CA 1.682 63.770 62.100 -0.020 0.000 1.151 277 T CB -0.244 68.597 68.868 -0.046 0.000 0.862 277 T HN 0.360 nan 8.240 nan 0.000 0.438 278 Q N 0.669 120.426 119.800 -0.071 0.000 2.230 278 Q HA 0.102 4.442 4.340 0.000 0.000 0.202 278 Q C 2.424 178.405 176.000 -0.032 0.000 0.963 278 Q CA 0.694 56.459 55.803 -0.063 0.000 0.866 278 Q CB -0.487 28.196 28.738 -0.092 0.000 0.931 278 Q HN 0.779 nan 8.270 nan 0.000 0.452 279 I N -3.651 116.907 120.570 -0.020 0.000 3.030 279 I HA -0.048 4.122 4.170 0.000 0.000 0.270 279 I C 1.688 177.852 176.117 0.080 0.000 1.211 279 I CA 0.442 61.770 61.300 0.047 0.000 1.479 279 I CB -0.297 37.757 38.000 0.089 0.000 1.105 279 I HN -0.010 nan 8.210 nan 0.000 0.447 280 L N 1.568 122.834 121.223 0.073 0.000 2.027 280 L HA -0.146 4.194 4.340 0.000 0.000 0.206 280 L C 2.714 179.606 176.870 0.037 0.000 1.074 280 L CA 1.643 56.522 54.840 0.064 0.000 0.745 280 L CB -0.634 41.462 42.059 0.062 0.000 0.898 280 L HN 0.190 nan 8.230 nan 0.000 0.433 281 K N 0.516 120.927 120.400 0.018 0.000 2.063 281 K HA -0.151 4.169 4.320 0.000 0.000 0.208 281 K C 2.024 178.625 176.600 0.002 0.000 1.048 281 K CA 1.518 57.807 56.287 0.003 0.000 0.928 281 K CB -0.329 32.164 32.500 -0.012 0.000 0.713 281 K HN 0.242 nan 8.250 nan 0.000 0.442 282 A N 0.512 123.334 122.820 0.004 0.000 2.070 282 A HA -0.101 4.219 4.320 0.000 0.000 0.220 282 A C 1.483 179.078 177.584 0.018 0.000 1.159 282 A CA 1.548 53.587 52.037 0.002 0.000 0.656 282 A CB -0.328 18.676 19.000 0.006 0.000 0.800 282 A HN 0.299 nan 8.150 nan 0.000 0.453 283 E N 0.116 120.335 120.200 0.032 0.000 2.465 283 E HA 0.020 4.370 4.350 0.000 0.000 0.191 283 E C 0.342 176.958 176.600 0.026 0.000 1.053 283 E CA -0.069 56.354 56.400 0.037 0.000 0.869 283 E CB -0.099 29.633 29.700 0.054 0.000 0.977 283 E HN 0.846 nan 8.360 nan 0.000 0.483 284 E N 0.359 120.570 120.200 0.018 0.000 2.299 284 E HA 0.207 4.557 4.350 0.000 0.000 0.272 284 E C 0.349 176.955 176.600 0.011 0.000 1.043 284 E CA 0.534 56.942 56.400 0.013 0.000 0.895 284 E CB 0.119 29.823 29.700 0.007 0.000 1.011 284 E HN 0.196 nan 8.360 nan 0.000 0.432 285 G N 2.545 111.352 108.800 0.012 0.000 2.145 285 G HA2 -0.097 3.863 3.960 0.000 0.000 0.176 285 G HA3 -0.097 3.863 3.960 0.000 0.000 0.176 285 G C -0.170 174.738 174.900 0.014 0.000 1.013 285 G CA -0.163 44.944 45.100 0.011 0.000 0.689 285 G HN 0.840 nan 8.290 nan 0.000 0.506 286 A N -0.018 122.811 122.820 0.016 0.000 2.355 286 A HA 0.760 5.081 4.320 0.000 0.000 0.324 286 A C 1.191 178.785 177.584 0.016 0.000 1.117 286 A CA 0.421 52.469 52.037 0.018 0.000 0.785 286 A CB 0.864 19.879 19.000 0.024 0.000 1.254 286 A HN 0.649 nan 8.150 nan 0.000 0.453 287 Q N 0.978 120.787 119.800 0.015 0.000 2.291 287 Q HA -0.068 4.272 4.340 0.000 0.000 0.205 287 Q C -0.238 175.768 176.000 0.010 0.000 0.970 287 Q CA 1.496 57.305 55.803 0.011 0.000 0.876 287 Q CB -0.219 28.526 28.738 0.011 0.000 0.935 287 Q HN 0.847 nan 8.270 nan 0.000 0.455 288 D N -0.917 119.490 120.400 0.012 0.000 2.752 288 D HA 0.156 4.796 4.640 0.000 0.000 0.313 288 D C -0.742 175.566 176.300 0.014 0.000 1.225 288 D CA -0.576 53.430 54.000 0.009 0.000 0.976 288 D CB 0.635 41.439 40.800 0.006 0.000 1.443 288 D HN -0.237 nan 8.370 nan 0.000 0.515 289 D N -0.519 119.885 120.400 0.007 0.000 2.368 289 D HA 0.046 4.686 4.640 0.000 0.000 0.218 289 D C 0.994 177.305 176.300 0.018 0.000 1.112 289 D CA 0.103 54.109 54.000 0.011 0.000 0.834 289 D CB 0.589 41.385 40.800 -0.007 0.000 0.953 289 D HN 0.261 nan 8.370 nan 0.000 0.505 290 E N 0.192 120.404 120.200 0.021 0.000 2.152 290 E HA -0.048 4.302 4.350 0.000 0.000 0.192 290 E C 2.063 178.697 176.600 0.056 0.000 0.983 290 E CA 0.534 56.950 56.400 0.027 0.000 0.818 290 E CB -0.207 29.506 29.700 0.021 0.000 0.758 290 E HN 0.299 nan 8.360 nan 0.000 0.467 291 G N 1.345 110.183 108.800 0.063 0.000 2.421 291 G HA2 -0.192 3.768 3.960 0.000 0.000 0.217 291 G HA3 -0.192 3.768 3.960 0.000 0.000 0.217 291 G C 1.601 176.571 174.900 0.117 0.000 1.143 291 G CA 0.532 45.685 45.100 0.087 0.000 0.784 291 G HN 0.228 nan 8.290 nan 0.000 0.541 292 L N 0.677 121.962 121.223 0.104 0.000 2.017 292 L HA 0.082 4.422 4.340 0.000 0.000 0.208 292 L C 2.633 179.613 176.870 0.183 0.000 1.073 292 L CA 1.487 56.407 54.840 0.135 0.000 0.745 292 L CB -0.612 41.503 42.059 0.093 0.000 0.894 292 L HN 0.218 nan 8.230 nan 0.000 0.432 293 L N -0.850 120.446 121.223 0.123 0.000 2.056 293 L HA -0.160 4.180 4.340 0.000 0.000 0.207 293 L C 2.300 179.302 176.870 0.220 0.000 1.078 293 L CA 1.043 55.961 54.840 0.129 0.000 0.749 293 L CB -1.047 41.013 42.059 0.001 0.000 0.901 293 L HN 0.224 nan 8.230 nan 0.000 0.433 294 D N 0.495 121.003 120.400 0.181 0.000 2.160 294 D HA -0.237 4.403 4.640 0.000 0.000 0.189 294 D C 1.964 178.448 176.300 0.306 0.000 1.003 294 D CA 1.462 55.595 54.000 0.221 0.000 0.846 294 D CB -0.390 40.517 40.800 0.178 0.000 0.949 294 D HN 0.203 nan 8.370 nan 0.000 0.446 295 N N -0.500 118.384 118.700 0.307 0.000 2.244 295 N HA -0.114 4.626 4.740 0.000 0.000 0.183 295 N C 1.603 177.430 175.510 0.528 0.000 1.016 295 N CA 0.236 53.525 53.050 0.397 0.000 0.866 295 N CB -0.370 38.337 38.487 0.367 0.000 0.980 295 N HN 0.184 nan 8.380 nan 0.000 0.430 296 F N 1.096 121.244 119.950 0.330 0.000 2.113 296 F HA -0.102 4.425 4.527 -0.000 0.000 0.297 296 F C 2.060 178.069 175.800 0.348 0.000 1.103 296 F CA 0.960 59.162 58.000 0.338 0.000 1.248 296 F CB -0.376 38.670 39.000 0.077 0.000 0.999 296 F HN -0.206 nan 8.300 nan 0.000 0.475 297 V N -0.032 120.160 119.914 0.464 0.000 2.427 297 V HA -0.279 3.842 4.120 0.000 0.000 0.248 297 V C 2.314 178.699 176.094 0.485 0.000 1.051 297 V CA 2.253 64.792 62.300 0.398 0.000 1.048 297 V CB -1.114 30.895 31.823 0.310 0.000 0.666 297 V HN 0.434 nan 8.190 nan 0.000 0.456 298 T N 0.309 115.118 114.554 0.425 0.000 2.580 298 T HA -0.221 4.130 4.350 0.000 0.000 0.265 298 T C 1.674 176.355 174.700 -0.031 0.000 1.063 298 T CA 2.183 64.328 62.100 0.076 0.000 1.170 298 T CB -0.453 68.404 68.868 -0.019 0.000 0.863 298 T HN 0.378 nan 8.240 nan 0.000 0.418 299 F N 0.201 120.232 119.950 0.136 0.000 2.171 299 F HA 0.065 4.592 4.527 0.000 0.000 0.300 299 F C 2.032 177.941 175.800 0.181 0.000 1.090 299 F CA 0.716 58.787 58.000 0.118 0.000 1.293 299 F CB -0.641 38.438 39.000 0.130 0.000 1.013 299 F HN 0.071 nan 8.300 nan 0.000 0.486 300 F N 0.645 120.743 119.950 0.246 0.000 2.087 300 F HA -0.315 4.211 4.527 -0.000 0.000 0.299 300 F C 2.136 178.127 175.800 0.320 0.000 1.100 300 F CA 1.605 59.701 58.000 0.160 0.000 1.226 300 F CB -0.253 38.638 39.000 -0.180 0.000 0.983 300 F HN -0.166 nan 8.300 nan 0.000 0.479 301 I N -0.041 120.789 120.570 0.432 0.000 2.296 301 I HA -0.087 4.083 4.170 0.000 0.000 0.242 301 I C 2.729 178.850 176.117 0.007 0.000 1.087 301 I CA 1.344 62.817 61.300 0.289 0.000 1.393 301 I CB -2.109 36.096 38.000 0.342 0.000 1.093 301 I HN 0.172 nan 8.210 nan 0.000 0.421 302 A N 0.965 123.728 122.820 -0.095 0.000 1.972 302 A HA -0.089 4.231 4.320 0.000 0.000 0.219 302 A C 2.288 179.799 177.584 -0.122 0.000 1.169 302 A CA 1.794 53.717 52.037 -0.190 0.000 0.635 302 A CB -1.246 17.554 19.000 -0.333 0.000 0.810 302 A HN 0.468 nan 8.150 nan 0.000 0.446 303 G N -1.825 106.955 108.800 -0.033 0.000 2.920 303 G HA2 0.060 4.020 3.960 0.000 0.000 0.208 303 G HA3 0.060 4.020 3.960 0.000 0.000 0.208 303 G C 1.126 176.050 174.900 0.041 0.000 1.159 303 G CA 1.148 46.221 45.100 -0.046 0.000 0.784 303 G HN 0.868 nan 8.290 nan 0.000 0.535 304 H N -1.379 117.652 119.070 -0.064 0.000 3.207 304 H HA 0.137 4.693 4.556 0.000 0.000 0.237 304 H C 1.722 177.039 175.328 -0.018 0.000 0.959 304 H CA 0.785 56.812 56.048 -0.034 0.000 1.091 304 H CB 0.082 29.805 29.762 -0.066 0.000 1.447 304 H HN 0.261 nan 8.280 nan 0.000 0.477 305 E N 2.462 122.289 120.200 -0.622 0.000 2.072 305 E HA -0.101 4.250 4.350 0.000 0.000 0.190 305 E C 2.130 178.612 176.600 -0.197 0.000 0.982 305 E CA 2.807 58.919 56.400 -0.480 0.000 0.803 305 E CB -0.296 29.153 29.700 -0.418 0.000 0.755 305 E HN 0.540 nan 8.360 nan 0.000 0.453 306 T N -2.070 112.402 114.554 -0.136 0.000 2.867 306 T HA -0.030 4.320 4.350 0.000 0.000 0.268 306 T C 2.141 176.852 174.700 0.019 0.000 1.057 306 T CA 1.205 63.269 62.100 -0.061 0.000 1.136 306 T CB -0.447 68.372 68.868 -0.083 0.000 0.874 306 T HN 0.008 nan 8.240 nan 0.000 0.466 307 S N 1.949 117.673 115.700 0.039 0.000 2.368 307 S HA 0.111 4.581 4.470 0.000 0.000 0.225 307 S C 2.645 177.284 174.600 0.066 0.000 1.030 307 S CA 0.954 59.222 58.200 0.114 0.000 0.999 307 S CB -0.797 62.477 63.200 0.123 0.000 0.844 307 S HN 0.749 nan 8.310 nan 0.000 0.459 308 A N 2.418 125.240 122.820 0.004 0.000 1.873 308 A HA -0.163 4.157 4.320 0.000 0.000 0.215 308 A C 1.832 179.361 177.584 -0.092 0.000 1.186 308 A CA 1.730 53.739 52.037 -0.046 0.000 0.616 308 A CB -1.013 17.955 19.000 -0.054 0.000 0.823 308 A HN 0.638 nan 8.150 nan 0.000 0.442 309 N N -1.229 117.416 118.700 -0.091 0.000 2.061 309 N HA -0.284 4.457 4.740 0.000 0.000 0.193 309 N C 1.870 177.359 175.510 -0.035 0.000 1.030 309 N CA 1.677 54.634 53.050 -0.155 0.000 0.856 309 N CB -0.371 38.076 38.487 -0.066 0.000 1.023 309 N HN 0.740 nan 8.380 nan 0.000 0.424 310 H N 1.008 120.094 119.070 0.027 0.000 2.357 310 H HA 0.071 4.627 4.556 0.000 0.000 0.301 310 H C 1.922 177.284 175.328 0.057 0.000 1.082 310 H CA 1.156 57.279 56.048 0.125 0.000 1.342 310 H CB -0.341 29.463 29.762 0.069 0.000 1.389 310 H HN 0.140 nan 8.280 nan 0.000 0.511 311 L N -0.302 120.836 121.223 -0.142 0.000 2.046 311 L HA -0.122 4.219 4.340 0.000 0.000 0.208 311 L C 2.827 179.574 176.870 -0.205 0.000 1.077 311 L CA 1.145 55.848 54.840 -0.228 0.000 0.747 311 L CB -0.636 41.328 42.059 -0.160 0.000 0.896 311 L HN 0.425 nan 8.230 nan 0.000 0.432 312 A N -0.440 122.253 122.820 -0.212 0.000 1.898 312 A HA -0.186 4.135 4.320 0.000 0.000 0.216 312 A C 2.022 179.438 177.584 -0.280 0.000 1.181 312 A CA 1.302 53.167 52.037 -0.288 0.000 0.620 312 A CB -0.713 18.065 19.000 -0.370 0.000 0.819 312 A HN 0.274 nan 8.150 nan 0.000 0.442 313 F N 0.951 120.781 119.950 -0.200 0.000 2.171 313 F HA -0.126 4.402 4.527 0.001 0.000 0.300 313 F C 2.751 178.382 175.800 -0.281 0.000 1.090 313 F CA 1.707 59.526 58.000 -0.302 0.000 1.293 313 F CB -1.126 37.737 39.000 -0.228 0.000 1.013 313 F HN 0.158 nan 8.300 nan 0.000 0.486 314 T N -0.398 114.154 114.554 -0.003 0.000 2.701 314 T HA -0.131 4.219 4.350 0.000 0.000 0.263 314 T C 2.322 176.928 174.700 -0.158 0.000 1.040 314 T CA 1.530 63.587 62.100 -0.072 0.000 1.147 314 T CB -0.706 68.080 68.868 -0.137 0.000 0.865 314 T HN 0.019 nan 8.240 nan 0.000 0.426 315 V N 1.957 121.740 119.914 -0.219 0.000 2.332 315 V HA -0.217 3.903 4.120 0.000 0.000 0.248 315 V C 2.471 178.423 176.094 -0.237 0.000 1.055 315 V CA 1.868 63.984 62.300 -0.306 0.000 1.038 315 V CB -0.669 30.889 31.823 -0.441 0.000 0.651 315 V HN 0.486 nan 8.190 nan 0.000 0.450 316 M N -0.045 119.437 119.600 -0.197 0.000 2.086 316 M HA -0.229 4.251 4.480 0.000 0.000 0.261 316 M C 2.256 178.555 176.300 -0.002 0.000 1.067 316 M CA 2.477 57.694 55.300 -0.139 0.000 1.116 316 M CB -0.179 32.323 32.600 -0.163 0.000 1.348 316 M HN 0.383 nan 8.290 nan 0.000 0.407 317 E N 0.634 120.775 120.200 -0.098 0.000 2.051 317 E HA -0.146 4.204 4.350 0.000 0.000 0.192 317 E C 1.880 178.358 176.600 -0.204 0.000 0.991 317 E CA 1.517 57.811 56.400 -0.177 0.000 0.799 317 E CB -0.597 28.833 29.700 -0.450 0.000 0.748 317 E HN 0.640 nan 8.360 nan 0.000 0.449 318 L N 0.808 121.911 121.223 -0.199 0.000 2.187 318 L HA -0.177 4.163 4.340 0.000 0.000 0.213 318 L C 2.422 179.282 176.870 -0.016 0.000 1.100 318 L CA 1.354 56.127 54.840 -0.112 0.000 0.765 318 L CB -0.748 41.263 42.059 -0.080 0.000 0.904 318 L HN 0.250 nan 8.230 nan 0.000 0.437 319 S N 0.840 116.552 115.700 0.020 0.000 2.500 319 S HA -0.204 4.267 4.470 0.000 0.000 0.239 319 S C 1.664 176.339 174.600 0.125 0.000 0.989 319 S CA 1.012 59.267 58.200 0.092 0.000 0.951 319 S CB -0.352 62.907 63.200 0.098 0.000 0.759 319 S HN 0.690 nan 8.310 nan 0.000 0.523 320 R N -0.392 120.161 120.500 0.088 0.000 2.596 320 R HA 0.345 4.685 4.340 0.000 0.000 0.369 320 R C -0.149 176.140 176.300 -0.020 0.000 1.042 320 R CA -0.446 55.666 56.100 0.021 0.000 1.120 320 R CB 0.182 30.416 30.300 -0.110 0.000 1.353 320 R HN 0.205 nan 8.270 nan 0.000 0.564 321 Q N 1.462 121.263 119.800 0.001 0.000 2.851 321 Q HA 0.215 4.556 4.340 0.000 0.000 0.331 321 Q C -2.083 173.957 176.000 0.067 0.000 0.979 321 Q CA -1.823 53.998 55.803 0.029 0.000 0.955 321 Q CB 1.837 30.581 28.738 0.010 0.000 1.298 321 Q HN 0.176 nan 8.270 nan 0.000 0.432 322 P HA -0.162 nan 4.420 nan 0.000 0.216 322 P C 0.619 177.965 177.300 0.076 0.000 1.153 322 P CA 1.237 64.377 63.100 0.067 0.000 0.848 322 P CB 0.630 32.361 31.700 0.052 0.000 0.787 323 E N 0.036 120.281 120.200 0.076 0.000 2.085 323 E HA -0.135 4.216 4.350 0.000 0.000 0.194 323 E C 2.214 178.881 176.600 0.112 0.000 0.994 323 E CA 1.046 57.492 56.400 0.076 0.000 0.801 323 E CB -1.026 28.716 29.700 0.069 0.000 0.743 323 E HN 0.268 nan 8.360 nan 0.000 0.453 324 I N -0.082 120.587 120.570 0.166 0.000 2.252 324 I HA -0.232 3.938 4.170 0.000 0.000 0.245 324 I C 2.056 178.331 176.117 0.263 0.000 1.102 324 I CA 0.595 62.060 61.300 0.275 0.000 1.385 324 I CB -0.080 38.105 38.000 0.308 0.000 1.064 324 I HN 0.007 nan 8.210 nan 0.000 0.414 325 V N 0.937 120.953 119.914 0.171 0.000 2.295 325 V HA -0.320 3.801 4.120 0.000 0.000 0.246 325 V C 2.722 178.891 176.094 0.125 0.000 1.049 325 V CA 1.999 64.384 62.300 0.142 0.000 1.024 325 V CB -1.014 30.875 31.823 0.109 0.000 0.648 325 V HN 0.502 nan 8.190 nan 0.000 0.447 326 A N -0.345 122.533 122.820 0.097 0.000 1.892 326 A HA -0.296 4.024 4.320 0.000 0.000 0.218 326 A C 2.427 180.043 177.584 0.053 0.000 1.188 326 A CA 2.201 54.277 52.037 0.064 0.000 0.631 326 A CB -0.629 18.396 19.000 0.043 0.000 0.822 326 A HN 0.433 nan 8.150 nan 0.000 0.447 327 R N -0.833 119.695 120.500 0.048 0.000 2.120 327 R HA -0.030 4.310 4.340 0.000 0.000 0.234 327 R C 2.077 178.417 176.300 0.067 0.000 1.123 327 R CA 1.243 57.319 56.100 -0.040 0.000 0.975 327 R CB -0.386 29.780 30.300 -0.224 0.000 0.866 327 R HN 0.590 nan 8.270 nan 0.000 0.446 328 L N 0.254 121.613 121.223 0.227 0.000 2.056 328 L HA -0.199 4.141 4.340 0.000 0.000 0.207 328 L C 2.536 179.488 176.870 0.136 0.000 1.078 328 L CA 1.431 56.421 54.840 0.251 0.000 0.749 328 L CB -0.321 41.873 42.059 0.224 0.000 0.901 328 L HN 0.225 nan 8.230 nan 0.000 0.433 329 Q N -0.441 119.421 119.800 0.104 0.000 2.050 329 Q HA -0.220 4.120 4.340 0.000 0.000 0.202 329 Q C 2.416 178.448 176.000 0.052 0.000 0.980 329 Q CA 1.728 57.575 55.803 0.073 0.000 0.840 329 Q CB -0.304 28.472 28.738 0.063 0.000 0.898 329 Q HN 0.566 nan 8.270 nan 0.000 0.424 330 A N 1.174 124.017 122.820 0.038 0.000 1.883 330 A HA -0.287 4.033 4.320 0.000 0.000 0.217 330 A C 1.955 179.552 177.584 0.021 0.000 1.186 330 A CA 1.760 53.807 52.037 0.017 0.000 0.624 330 A CB -0.645 18.351 19.000 -0.007 0.000 0.822 330 A HN 0.481 nan 8.150 nan 0.000 0.444 331 E N -0.304 119.916 120.200 0.034 0.000 2.023 331 E HA -0.165 4.185 4.350 0.000 0.000 0.196 331 E C 1.912 178.540 176.600 0.047 0.000 1.003 331 E CA 1.638 58.065 56.400 0.046 0.000 0.809 331 E CB -0.262 29.494 29.700 0.094 0.000 0.755 331 E HN 0.236 nan 8.360 nan 0.000 0.449 332 V N 1.910 121.858 119.914 0.057 0.000 2.278 332 V HA -0.304 3.816 4.120 0.000 0.000 0.251 332 V C 1.832 177.946 176.094 0.034 0.000 1.062 332 V CA 2.394 64.721 62.300 0.046 0.000 1.038 332 V CB -0.552 31.303 31.823 0.053 0.000 0.646 332 V HN 0.368 nan 8.190 nan 0.000 0.447 333 D N -0.813 119.606 120.400 0.032 0.000 2.178 333 D HA -0.149 4.492 4.640 0.000 0.000 0.201 333 D C 2.231 178.543 176.300 0.019 0.000 0.980 333 D CA 1.177 55.191 54.000 0.025 0.000 0.842 333 D CB -0.088 40.725 40.800 0.022 0.000 0.948 333 D HN 0.575 nan 8.370 nan 0.000 0.472 334 E N -0.213 119.998 120.200 0.018 0.000 2.051 334 E HA -0.076 4.274 4.350 0.000 0.000 0.189 334 E C 2.070 178.678 176.600 0.014 0.000 0.979 334 E CA 0.506 56.914 56.400 0.013 0.000 0.803 334 E CB 0.275 29.980 29.700 0.009 0.000 0.761 334 E HN 0.112 nan 8.360 nan 0.000 0.451 335 V N 0.826 120.749 119.914 0.016 0.000 2.992 335 V HA 0.020 4.140 4.120 0.000 0.000 0.250 335 V C 1.584 177.685 176.094 0.012 0.000 1.090 335 V CA 0.930 63.237 62.300 0.012 0.000 1.101 335 V CB -0.046 31.782 31.823 0.009 0.000 0.743 335 V HN 0.355 nan 8.190 nan 0.000 0.468 336 I N -3.178 117.402 120.570 0.016 0.000 4.456 336 I HA 0.651 4.822 4.170 0.000 0.000 0.329 336 I C 1.509 177.640 176.117 0.023 0.000 1.313 336 I CA 0.454 61.765 61.300 0.018 0.000 1.205 336 I CB 0.013 38.022 38.000 0.015 0.000 1.179 336 I HN 0.337 nan 8.210 nan 0.000 0.419 337 G N 3.163 111.977 108.800 0.023 0.000 2.651 337 G HA2 -0.424 3.536 3.960 0.000 0.000 0.315 337 G HA3 -0.424 3.536 3.960 0.000 0.000 0.315 337 G C 0.690 175.606 174.900 0.026 0.000 1.258 337 G CA 1.260 46.374 45.100 0.023 0.000 1.002 337 G HN 0.891 nan 8.290 nan 0.000 0.551 338 S N 0.154 115.870 115.700 0.027 0.000 2.583 338 S HA 0.417 4.887 4.470 0.000 0.000 0.239 338 S C 0.634 175.255 174.600 0.036 0.000 0.966 338 S CA 0.970 59.188 58.200 0.029 0.000 0.973 338 S CB 0.368 63.583 63.200 0.025 0.000 0.794 338 S HN 0.805 nan 8.310 nan 0.000 0.463 339 K N 1.066 121.489 120.400 0.039 0.000 2.436 339 K HA 0.150 4.471 4.320 0.000 0.000 0.275 339 K C 1.180 177.817 176.600 0.062 0.000 0.999 339 K CA -0.271 56.047 56.287 0.052 0.000 0.980 339 K CB 0.511 33.044 32.500 0.054 0.000 0.919 339 K HN 0.165 nan 8.250 nan 0.000 0.484 340 R N 2.397 122.949 120.500 0.086 0.000 2.090 340 R HA 0.010 4.350 4.340 0.000 0.000 0.219 340 R C -0.288 176.099 176.300 0.145 0.000 1.100 340 R CA 1.055 57.215 56.100 0.101 0.000 0.991 340 R CB -0.053 30.307 30.300 0.100 0.000 0.893 340 R HN 0.643 nan 8.270 nan 0.000 0.443 341 Y N 0.303 120.621 120.300 0.031 0.000 2.331 341 Y HA 0.434 4.984 4.550 0.000 0.000 0.338 341 Y C -1.290 174.634 175.900 0.041 0.000 0.992 341 Y CA -1.195 56.927 58.100 0.036 0.000 1.121 341 Y CB 0.904 39.380 38.460 0.028 0.000 1.184 341 Y HN -0.105 nan 8.280 nan 0.000 0.469 342 L N 6.666 127.625 121.223 -0.441 0.000 2.257 342 L HA 0.268 4.608 4.340 0.000 0.000 0.290 342 L C -0.255 176.342 176.870 -0.455 0.000 1.044 342 L CA -0.011 54.642 54.840 -0.311 0.000 0.810 342 L CB 0.777 42.728 42.059 -0.180 0.000 1.193 342 L HN 0.725 nan 8.230 nan 0.000 0.425 343 D N 1.219 121.514 120.400 -0.176 0.000 2.363 343 D HA -0.013 4.627 4.640 0.000 0.000 0.240 343 D C 0.940 177.257 176.300 0.028 0.000 1.236 343 D CA 0.097 54.084 54.000 -0.021 0.000 0.927 343 D CB 0.591 41.447 40.800 0.094 0.000 1.150 343 D HN 0.409 nan 8.370 nan 0.000 0.458 344 F N 0.859 120.789 119.950 -0.034 0.000 2.069 344 F HA -0.214 4.313 4.527 0.000 0.000 0.298 344 F C 2.240 178.037 175.800 -0.005 0.000 1.113 344 F CA 1.653 59.642 58.000 -0.018 0.000 1.214 344 F CB -0.005 38.991 39.000 -0.006 0.000 0.978 344 F HN 0.525 nan 8.300 nan 0.000 0.474 345 E N -0.549 119.591 120.200 -0.099 0.000 2.333 345 E HA -0.232 4.118 4.350 0.000 0.000 0.198 345 E C 1.299 177.797 176.600 -0.171 0.000 1.007 345 E CA 1.414 57.692 56.400 -0.204 0.000 0.845 345 E CB -0.606 29.070 29.700 -0.041 0.000 0.766 345 E HN 0.504 nan 8.360 nan 0.000 0.507 346 D N 1.132 121.462 120.400 -0.117 0.000 2.224 346 D HA -0.049 4.591 4.640 0.000 0.000 0.205 346 D C 2.124 178.362 176.300 -0.103 0.000 0.965 346 D CA 0.675 54.625 54.000 -0.083 0.000 0.852 346 D CB 0.068 40.837 40.800 -0.052 0.000 0.947 346 D HN 0.317 nan 8.370 nan 0.000 0.494 347 L N 0.807 121.938 121.223 -0.153 0.000 2.027 347 L HA -0.056 4.285 4.340 0.000 0.000 0.206 347 L C 2.704 179.487 176.870 -0.145 0.000 1.074 347 L CA 1.264 56.026 54.840 -0.131 0.000 0.745 347 L CB -0.900 41.080 42.059 -0.131 0.000 0.898 347 L HN 0.057 nan 8.230 nan 0.000 0.433 348 G N 0.421 109.076 108.800 -0.243 0.000 2.503 348 G HA2 -0.289 3.671 3.960 0.000 0.000 0.221 348 G HA3 -0.289 3.671 3.960 0.000 0.000 0.221 348 G C 1.697 176.541 174.900 -0.092 0.000 1.131 348 G CA 0.808 45.796 45.100 -0.188 0.000 0.756 348 G HN 0.382 nan 8.290 nan 0.000 0.572 349 R N -0.402 120.052 120.500 -0.077 0.000 2.276 349 R HA 0.264 4.604 4.340 0.000 0.000 0.196 349 R C 0.871 177.169 176.300 -0.004 0.000 0.961 349 R CA -0.204 55.877 56.100 -0.032 0.000 1.024 349 R CB -0.043 30.240 30.300 -0.029 0.000 0.940 349 R HN 0.270 nan 8.270 nan 0.000 0.480 350 L N 2.655 123.873 121.223 -0.008 0.000 2.697 350 L HA 0.011 4.351 4.340 0.000 0.000 0.239 350 L C 1.945 178.839 176.870 0.041 0.000 1.430 350 L CA 0.045 54.899 54.840 0.023 0.000 1.193 350 L CB -0.317 41.748 42.059 0.011 0.000 1.516 350 L HN 0.283 nan 8.230 nan 0.000 0.439 351 Q N 0.691 120.527 119.800 0.060 0.000 2.050 351 Q HA -0.265 4.075 4.340 0.000 0.000 0.202 351 Q C 1.937 178.006 176.000 0.116 0.000 0.980 351 Q CA 1.911 57.758 55.803 0.074 0.000 0.840 351 Q CB -0.115 28.669 28.738 0.076 0.000 0.898 351 Q HN 0.692 nan 8.270 nan 0.000 0.424 352 Y N 0.240 120.552 120.300 0.021 0.000 2.220 352 Y HA -0.211 4.340 4.550 0.000 0.000 0.291 352 Y C 2.061 177.981 175.900 0.034 0.000 1.129 352 Y CA 0.995 59.113 58.100 0.030 0.000 1.161 352 Y CB -0.001 38.478 38.460 0.032 0.000 0.997 352 Y HN 0.307 nan 8.280 nan 0.000 0.522 353 L N -0.395 120.837 121.223 0.015 0.000 2.042 353 L HA -0.219 4.121 4.340 0.000 0.000 0.210 353 L C 2.523 179.343 176.870 -0.084 0.000 1.076 353 L CA 2.218 57.025 54.840 -0.054 0.000 0.749 353 L CB -1.315 40.754 42.059 0.017 0.000 0.893 353 L HN 0.214 nan 8.230 nan 0.000 0.432 354 S N -1.085 114.589 115.700 -0.044 0.000 2.374 354 S HA -0.272 4.198 4.470 0.000 0.000 0.227 354 S C 1.934 176.467 174.600 -0.112 0.000 1.037 354 S CA 1.767 59.942 58.200 -0.042 0.000 1.024 354 S CB -0.180 63.015 63.200 -0.009 0.000 0.861 354 S HN 0.670 nan 8.310 nan 0.000 0.456 355 Q N -0.175 119.538 119.800 -0.146 0.000 2.079 355 Q HA -0.045 4.296 4.340 0.000 0.000 0.200 355 Q C 2.241 178.059 176.000 -0.303 0.000 0.974 355 Q CA 1.494 57.180 55.803 -0.195 0.000 0.840 355 Q CB -0.221 28.454 28.738 -0.105 0.000 0.898 355 Q HN 0.389 nan 8.270 nan 0.000 0.430 356 V N 1.032 120.750 119.914 -0.327 0.000 2.392 356 V HA -0.269 3.851 4.120 0.000 0.000 0.249 356 V C 2.071 178.147 176.094 -0.031 0.000 1.059 356 V CA 1.592 63.778 62.300 -0.189 0.000 1.051 356 V CB -0.414 31.324 31.823 -0.142 0.000 0.658 356 V HN 0.343 nan 8.190 nan 0.000 0.455 357 L N -0.888 120.308 121.223 -0.046 0.000 2.095 357 L HA -0.095 4.245 4.340 0.000 0.000 0.204 357 L C 2.557 179.445 176.870 0.030 0.000 1.080 357 L CA 1.365 56.264 54.840 0.098 0.000 0.759 357 L CB -0.565 41.570 42.059 0.126 0.000 0.914 357 L HN 0.218 nan 8.230 nan 0.000 0.439 358 K N 0.051 120.309 120.400 -0.236 0.000 2.074 358 K HA -0.267 4.053 4.320 0.000 0.000 0.209 358 K C 2.025 178.215 176.600 -0.684 0.000 1.048 358 K CA 1.778 57.723 56.287 -0.570 0.000 0.926 358 K CB -0.124 31.620 32.500 -1.259 0.000 0.713 358 K HN 0.119 nan 8.250 nan 0.000 0.444 359 E N 0.831 120.675 120.200 -0.594 0.000 2.152 359 E HA -0.120 4.230 4.350 0.000 0.000 0.192 359 E C 1.977 178.519 176.600 -0.097 0.000 0.983 359 E CA 1.108 57.278 56.400 -0.383 0.000 0.818 359 E CB -0.088 29.236 29.700 -0.627 0.000 0.758 359 E HN 0.121 nan 8.360 nan 0.000 0.467 360 S N -0.678 115.136 115.700 0.190 0.000 2.368 360 S HA -0.065 4.406 4.470 0.000 0.000 0.225 360 S C 1.811 176.572 174.600 0.268 0.000 1.030 360 S CA 1.015 59.503 58.200 0.481 0.000 0.999 360 S CB -0.242 63.250 63.200 0.488 0.000 0.844 360 S HN 0.372 nan 8.310 nan 0.000 0.459 361 L N 1.032 122.318 121.223 0.104 0.000 2.217 361 L HA 0.030 4.370 4.340 0.000 0.000 0.211 361 L C 2.777 179.633 176.870 -0.023 0.000 1.107 361 L CA 1.049 55.855 54.840 -0.057 0.000 0.783 361 L CB -0.402 41.504 42.059 -0.255 0.000 0.919 361 L HN 0.337 nan 8.230 nan 0.000 0.442 362 R N 0.675 121.217 120.500 0.070 0.000 2.066 362 R HA -0.141 4.199 4.340 0.000 0.000 0.232 362 R C 2.209 178.356 176.300 -0.255 0.000 1.131 362 R CA 1.447 57.549 56.100 0.004 0.000 0.955 362 R CB -0.141 30.052 30.300 -0.178 0.000 0.851 362 R HN 0.304 nan 8.270 nan 0.000 0.432 363 L N -0.639 120.372 121.223 -0.353 0.000 2.209 363 L HA -0.023 4.317 4.340 0.000 0.000 0.207 363 L C 0.360 176.728 176.870 -0.836 0.000 1.094 363 L CA 0.712 55.145 54.840 -0.678 0.000 0.790 363 L CB 0.246 41.783 42.059 -0.870 0.000 0.932 363 L HN 0.219 nan 8.230 nan 0.000 0.447 364 Y N -0.361 119.790 120.300 -0.248 0.000 2.511 364 Y HA 0.291 4.842 4.550 0.001 0.000 0.356 364 Y C -2.319 173.402 175.900 -0.299 0.000 1.002 364 Y CA -2.514 55.267 58.100 -0.531 0.000 1.127 364 Y CB 0.216 37.922 38.460 -1.257 0.000 1.137 364 Y HN -0.075 nan 8.280 nan 0.000 0.652 365 P HA 0.173 nan 4.420 nan 0.000 0.282 365 P C -2.440 174.899 177.300 0.066 0.000 1.274 365 P CA -1.643 61.429 63.100 -0.047 0.000 0.770 365 P CB 2.148 33.801 31.700 -0.078 0.000 0.867 366 P HA -0.103 nan 4.420 nan 0.000 0.215 366 P C 0.443 177.762 177.300 0.031 0.000 1.153 366 P CA 1.595 64.777 63.100 0.138 0.000 0.853 366 P CB 0.044 31.787 31.700 0.072 0.000 0.788 367 A N 0.373 123.139 122.820 -0.089 0.000 2.341 367 A HA 0.207 4.528 4.320 0.000 0.000 0.326 367 A C 0.911 178.401 177.584 -0.156 0.000 1.402 367 A CA -0.864 51.059 52.037 -0.190 0.000 0.957 367 A CB -0.513 18.351 19.000 -0.228 0.000 1.151 367 A HN 0.313 nan 8.150 nan 0.000 0.533 368 W N 2.700 123.976 121.300 -0.041 0.000 2.519 368 W HA 0.343 5.003 4.660 -0.000 0.000 0.266 368 W C 0.202 176.707 176.519 -0.024 0.000 1.253 368 W CA 0.590 57.912 57.345 -0.038 0.000 1.274 368 W CB -0.286 29.140 29.460 -0.056 0.000 1.114 368 W HN 0.782 nan 8.180 nan 0.000 0.596 369 G N -0.398 108.254 108.800 -0.245 0.000 2.348 369 G HA2 0.373 4.334 3.960 0.000 0.000 0.296 369 G HA3 0.373 4.334 3.960 0.000 0.000 0.296 369 G C -1.501 173.184 174.900 -0.358 0.000 1.258 369 G CA 0.028 45.096 45.100 -0.054 0.000 0.868 369 G HN 0.092 nan 8.290 nan 0.000 0.488 370 T N -1.314 113.136 114.554 -0.174 0.000 2.792 370 T HA 0.695 5.045 4.350 0.000 0.000 0.303 370 T C -2.031 172.591 174.700 -0.130 0.000 1.310 370 T CA -0.490 61.546 62.100 -0.106 0.000 1.007 370 T CB 1.267 70.163 68.868 0.048 0.000 1.335 370 T HN 0.579 nan 8.240 nan 0.000 0.504 371 F N 1.917 122.066 119.950 0.333 0.000 2.520 371 F HA 0.748 5.275 4.527 0.000 0.000 0.322 371 F C 0.605 176.602 175.800 0.329 0.000 1.103 371 F CA -1.046 57.151 58.000 0.327 0.000 0.926 371 F CB 1.720 40.857 39.000 0.229 0.000 1.154 371 F HN 0.170 nan 8.300 nan 0.000 0.453 372 R N 1.976 122.772 120.500 0.494 0.000 2.711 372 R HA 0.520 4.860 4.340 0.000 0.000 0.284 372 R C -1.414 175.028 176.300 0.236 0.000 0.968 372 R CA -1.264 55.036 56.100 0.333 0.000 0.924 372 R CB 2.441 32.929 30.300 0.314 0.000 1.162 372 R HN 0.589 nan 8.270 nan 0.000 0.465 373 L N 3.102 124.449 121.223 0.206 0.000 2.278 373 L HA 0.272 4.612 4.340 0.000 0.000 0.287 373 L C -0.711 176.250 176.870 0.152 0.000 1.072 373 L CA -0.407 54.521 54.840 0.147 0.000 0.819 373 L CB 0.481 42.618 42.059 0.131 0.000 1.176 373 L HN 0.460 nan 8.230 nan 0.000 0.435 374 L N 5.181 126.446 121.223 0.069 0.000 2.283 374 L HA 0.270 4.610 4.340 0.000 0.000 0.287 374 L C 1.074 178.004 176.870 0.098 0.000 1.073 374 L CA 0.682 55.572 54.840 0.082 0.000 0.822 374 L CB 0.454 42.485 42.059 -0.047 0.000 1.186 374 L HN 0.793 nan 8.230 nan 0.000 0.436 375 E N 3.000 123.281 120.200 0.134 0.000 2.158 375 E HA -0.017 4.333 4.350 0.000 0.000 0.191 375 E C -0.407 176.235 176.600 0.070 0.000 0.982 375 E CA 0.753 57.205 56.400 0.085 0.000 0.823 375 E CB 0.306 30.046 29.700 0.068 0.000 0.766 375 E HN 0.703 nan 8.360 nan 0.000 0.468 376 E N 0.872 121.126 120.200 0.089 0.000 2.317 376 E HA 0.212 4.562 4.350 0.000 0.000 0.270 376 E C -0.956 175.690 176.600 0.077 0.000 0.885 376 E CA -0.627 55.816 56.400 0.070 0.000 0.760 376 E CB 1.748 31.487 29.700 0.066 0.000 1.227 376 E HN -0.034 nan 8.360 nan 0.000 0.434 377 E N 1.672 121.904 120.200 0.053 0.000 2.765 377 E HA -0.065 4.285 4.350 0.000 0.000 0.256 377 E C -0.917 175.724 176.600 0.069 0.000 0.935 377 E CA 0.871 57.299 56.400 0.048 0.000 0.954 377 E CB 0.396 30.116 29.700 0.032 0.000 0.908 377 E HN 0.423 nan 8.360 nan 0.000 0.500 378 T N 4.099 118.700 114.554 0.077 0.000 2.900 378 T HA 0.323 4.673 4.350 0.000 0.000 0.303 378 T C -0.955 173.796 174.700 0.084 0.000 1.142 378 T CA -0.796 61.367 62.100 0.105 0.000 1.007 378 T CB 1.024 70.006 68.868 0.190 0.000 1.156 378 T HN 0.397 nan 8.240 nan 0.000 0.490 379 L N 2.560 123.830 121.223 0.078 0.000 2.259 379 L HA 0.584 4.924 4.340 0.000 0.000 0.288 379 L C -1.184 175.733 176.870 0.078 0.000 1.051 379 L CA -0.230 54.645 54.840 0.059 0.000 0.824 379 L CB -0.176 41.906 42.059 0.038 0.000 1.206 379 L HN 0.543 nan 8.230 nan 0.000 0.429 380 I N 4.778 125.399 120.570 0.085 0.000 2.354 380 I HA 0.293 4.463 4.170 0.000 0.000 0.286 380 I C -0.199 175.958 176.117 0.067 0.000 1.007 380 I CA -0.619 60.746 61.300 0.108 0.000 1.167 380 I CB 1.102 39.201 38.000 0.165 0.000 1.320 380 I HN 0.537 nan 8.210 nan 0.000 0.458 381 D N 5.464 125.897 120.400 0.055 0.000 2.723 381 D HA -0.183 4.457 4.640 0.000 0.000 0.236 381 D C 1.078 177.398 176.300 0.033 0.000 1.138 381 D CA 1.550 55.577 54.000 0.044 0.000 0.676 381 D CB -0.837 39.997 40.800 0.057 0.000 1.069 381 D HN 1.167 nan 8.370 nan 0.000 0.430 382 G N -1.673 107.143 108.800 0.028 0.000 2.160 382 G HA2 -0.243 3.717 3.960 0.000 0.000 0.251 382 G HA3 -0.243 3.717 3.960 0.000 0.000 0.251 382 G C 0.192 175.102 174.900 0.017 0.000 1.008 382 G CA 0.310 45.422 45.100 0.020 0.000 0.724 382 G HN 0.663 nan 8.290 nan 0.000 0.514 383 V N 0.862 120.789 119.914 0.020 0.000 2.483 383 V HA 0.500 4.620 4.120 0.000 0.000 0.297 383 V C 0.604 176.707 176.094 0.014 0.000 1.027 383 V CA -1.402 60.904 62.300 0.011 0.000 0.855 383 V CB 1.769 33.595 31.823 0.004 0.000 0.995 383 V HN 0.315 nan 8.190 nan 0.000 0.424 384 R N 2.675 123.180 120.500 0.008 0.000 2.401 384 R HA 0.408 4.748 4.340 0.000 0.000 0.299 384 R C -0.887 175.414 176.300 0.002 0.000 1.064 384 R CA -0.071 56.035 56.100 0.010 0.000 1.000 384 R CB 1.286 31.589 30.300 0.005 0.000 0.973 384 R HN 0.518 nan 8.270 nan 0.000 0.438 385 V N 6.659 126.578 119.914 0.008 0.000 2.409 385 V HA 0.254 4.375 4.120 0.000 0.000 0.291 385 V C -2.054 174.040 176.094 0.000 0.000 1.020 385 V CA -2.345 59.951 62.300 -0.008 0.000 0.848 385 V CB 1.798 33.608 31.823 -0.022 0.000 0.990 385 V HN 0.612 nan 8.190 nan 0.000 0.430 386 P HA 0.120 nan 4.420 nan 0.000 0.268 386 P C 0.499 177.804 177.300 0.008 0.000 1.208 386 P CA 0.370 63.471 63.100 0.000 0.000 0.777 386 P CB 0.486 32.181 31.700 -0.008 0.000 0.875 387 G N 1.063 109.874 108.800 0.018 0.000 2.636 387 G HA2 0.110 4.070 3.960 0.000 0.000 0.246 387 G HA3 0.110 4.070 3.960 0.000 0.000 0.246 387 G C 0.192 175.104 174.900 0.021 0.000 1.216 387 G CA -0.228 44.889 45.100 0.028 0.000 0.854 387 G HN 0.663 nan 8.290 nan 0.000 0.572 388 N N -1.587 117.130 118.700 0.029 0.000 2.754 388 N HA -0.168 4.573 4.740 0.000 0.000 0.248 388 N C -0.168 175.351 175.510 0.015 0.000 1.093 388 N CA 1.275 54.341 53.050 0.026 0.000 0.699 388 N CB -1.102 37.398 38.487 0.022 0.000 1.016 388 N HN 0.583 nan 8.380 nan 0.000 0.552 389 T N 0.938 115.496 114.554 0.007 0.000 2.771 389 T HA 0.474 4.824 4.350 0.000 0.000 0.281 389 T C -2.639 172.055 174.700 -0.010 0.000 0.982 389 T CA -1.206 60.886 62.100 -0.013 0.000 0.978 389 T CB 1.937 70.783 68.868 -0.037 0.000 0.930 389 T HN -0.074 nan 8.240 nan 0.000 0.447 390 P HA 0.252 nan 4.420 nan 0.000 0.276 390 P C -0.672 176.655 177.300 0.045 0.000 1.264 390 P CA -0.322 62.808 63.100 0.050 0.000 0.769 390 P CB 0.246 31.948 31.700 0.003 0.000 0.840 391 L N 4.247 125.470 121.223 -0.000 0.000 2.276 391 L HA 0.413 4.753 4.340 0.000 0.000 0.286 391 L C 0.528 177.250 176.870 -0.248 0.000 1.061 391 L CA -0.665 54.021 54.840 -0.257 0.000 0.807 391 L CB 0.815 42.538 42.059 -0.560 0.000 1.177 391 L HN 0.276 nan 8.230 nan 0.000 0.429 392 L N 3.771 124.771 121.223 -0.371 0.000 2.282 392 L HA 0.541 4.881 4.340 0.000 0.000 0.288 392 L C -1.202 175.346 176.870 -0.537 0.000 1.033 392 L CA -0.257 54.368 54.840 -0.359 0.000 0.807 392 L CB 0.900 42.864 42.059 -0.159 0.000 1.209 392 L HN 0.358 nan 8.230 nan 0.000 0.423 393 F N 3.020 122.961 119.950 -0.014 0.000 2.495 393 F HA 0.481 5.008 4.527 0.000 0.000 0.327 393 F C 0.256 176.261 175.800 0.343 0.000 1.103 393 F CA -0.563 57.535 58.000 0.165 0.000 0.949 393 F CB 2.136 41.206 39.000 0.117 0.000 1.142 393 F HN 0.323 nan 8.300 nan 0.000 0.457 394 S N 1.225 117.260 115.700 0.558 0.000 2.779 394 S HA 0.208 4.678 4.470 0.000 0.000 0.293 394 S C 0.443 175.138 174.600 0.158 0.000 1.150 394 S CA -0.372 58.085 58.200 0.429 0.000 1.057 394 S CB 1.428 64.822 63.200 0.324 0.000 1.021 394 S HN 0.806 nan 8.310 nan 0.000 0.485 395 T N 3.563 117.941 114.554 -0.293 0.000 2.985 395 T HA -0.064 4.287 4.350 0.000 0.000 0.266 395 T C 1.387 175.970 174.700 -0.195 0.000 1.076 395 T CA 1.423 63.089 62.100 -0.723 0.000 1.135 395 T CB -0.448 67.708 68.868 -1.187 0.000 0.890 395 T HN 0.747 nan 8.240 nan 0.000 0.480 396 Y N 1.200 121.432 120.300 -0.114 0.000 2.128 396 Y HA -0.105 4.445 4.550 0.001 0.000 0.284 396 Y C 2.228 178.101 175.900 -0.045 0.000 1.154 396 Y CA 1.565 59.620 58.100 -0.074 0.000 1.149 396 Y CB -0.494 37.953 38.460 -0.021 0.000 0.976 396 Y HN 0.049 nan 8.280 nan 0.000 0.505 397 V N 0.553 120.545 119.914 0.131 0.000 2.307 397 V HA -0.353 3.767 4.120 0.000 0.000 0.245 397 V C 2.329 178.476 176.094 0.089 0.000 1.045 397 V CA 2.372 64.728 62.300 0.094 0.000 1.024 397 V CB -0.568 31.365 31.823 0.184 0.000 0.651 397 V HN 0.491 nan 8.190 nan 0.000 0.449 398 M N 0.096 119.798 119.600 0.170 0.000 2.229 398 M HA -0.029 4.451 4.480 0.000 0.000 0.264 398 M C 2.230 178.765 176.300 0.391 0.000 1.063 398 M CA 1.725 57.227 55.300 0.337 0.000 1.114 398 M CB -0.785 31.991 32.600 0.294 0.000 1.387 398 M HN 0.479 nan 8.290 nan 0.000 0.420 399 G N 0.322 109.210 108.800 0.147 0.000 2.448 399 G HA2 -0.190 3.770 3.960 0.000 0.000 0.219 399 G HA3 -0.190 3.770 3.960 0.000 0.000 0.219 399 G C 1.585 176.410 174.900 -0.126 0.000 1.127 399 G CA 0.581 45.645 45.100 -0.059 0.000 0.766 399 G HN 0.407 nan 8.290 nan 0.000 0.552 400 R N -0.859 119.570 120.500 -0.119 0.000 2.393 400 R HA 0.366 4.706 4.340 0.000 0.000 0.244 400 R C 0.227 176.512 176.300 -0.026 0.000 0.920 400 R CA -0.257 55.751 56.100 -0.154 0.000 1.076 400 R CB 0.309 30.415 30.300 -0.323 0.000 1.119 400 R HN 0.290 nan 8.270 nan 0.000 0.524 401 M N 1.559 121.213 119.600 0.090 0.000 2.113 401 M HA 0.056 4.537 4.480 0.000 0.000 0.352 401 M C 0.324 176.619 176.300 -0.008 0.000 1.170 401 M CA -0.420 54.888 55.300 0.013 0.000 1.053 401 M CB 1.529 34.109 32.600 -0.032 0.000 1.601 401 M HN 0.034 nan 8.290 nan 0.000 0.459 402 D N -0.015 120.351 120.400 -0.057 0.000 2.351 402 D HA -0.170 4.470 4.640 0.000 0.000 0.216 402 D C 1.644 177.873 176.300 -0.118 0.000 0.968 402 D CA 1.424 55.393 54.000 -0.052 0.000 0.899 402 D CB -0.481 40.288 40.800 -0.052 0.000 0.907 402 D HN 0.645 nan 8.370 nan 0.000 0.514 403 T N -2.150 112.250 114.554 -0.257 0.000 3.055 403 T HA -0.103 4.247 4.350 0.000 0.000 0.265 403 T C 0.924 175.399 174.700 -0.376 0.000 1.111 403 T CA 0.599 62.479 62.100 -0.366 0.000 1.118 403 T CB -0.290 68.286 68.868 -0.487 0.000 0.909 403 T HN 0.167 nan 8.240 nan 0.000 0.501 404 Y N -0.652 119.578 120.300 -0.115 0.000 2.535 404 Y HA 0.509 5.059 4.550 0.000 0.000 0.266 404 Y C 0.054 175.547 175.900 -0.678 0.000 1.088 404 Y CA -1.448 56.443 58.100 -0.349 0.000 1.285 404 Y CB 0.431 38.711 38.460 -0.299 0.000 1.166 404 Y HN 0.178 nan 8.280 nan 0.000 0.525 405 F N 0.635 120.611 119.950 0.044 0.000 2.562 405 F HA 0.304 4.831 4.527 0.001 0.000 0.319 405 F C 0.024 175.786 175.800 -0.062 0.000 1.154 405 F CA -1.526 56.454 58.000 -0.033 0.000 0.931 405 F CB 1.430 40.399 39.000 -0.051 0.000 1.198 405 F HN -0.262 nan 8.300 nan 0.000 0.444 406 E N 2.410 122.656 120.200 0.077 0.000 2.366 406 E HA 0.002 4.352 4.350 0.000 0.000 0.266 406 E C -0.462 176.155 176.600 0.028 0.000 1.015 406 E CA 0.270 56.683 56.400 0.022 0.000 0.906 406 E CB 0.365 30.061 29.700 -0.007 0.000 0.979 406 E HN 0.650 nan 8.360 nan 0.000 0.443 407 D N 4.175 124.579 120.400 0.006 0.000 2.828 407 D HA -0.126 4.514 4.640 0.000 0.000 0.241 407 D C -1.858 174.433 176.300 -0.014 0.000 1.142 407 D CA 0.422 54.417 54.000 -0.008 0.000 0.755 407 D CB 0.014 40.806 40.800 -0.012 0.000 1.014 407 D HN 0.386 nan 8.370 nan 0.000 0.420 408 P HA -0.124 nan 4.420 nan 0.000 0.220 408 P C 1.835 179.072 177.300 -0.105 0.000 1.148 408 P CA 0.703 63.782 63.100 -0.036 0.000 0.803 408 P CB 0.109 31.798 31.700 -0.018 0.000 0.782 409 L N -1.198 119.976 121.223 -0.082 0.000 2.554 409 L HA 0.067 4.407 4.340 0.000 0.000 0.226 409 L C 0.714 177.554 176.870 -0.050 0.000 1.137 409 L CA 0.441 55.228 54.840 -0.088 0.000 0.863 409 L CB -0.858 41.160 42.059 -0.068 0.000 0.985 409 L HN -0.119 nan 8.230 nan 0.000 0.451 410 T N 0.613 115.147 114.554 -0.034 0.000 2.761 410 T HA 0.116 4.466 4.350 0.000 0.000 0.296 410 T C -0.378 174.337 174.700 0.025 0.000 0.934 410 T CA -0.233 61.872 62.100 0.008 0.000 1.091 410 T CB 0.409 69.277 68.868 0.000 0.000 0.896 410 T HN -0.057 nan 8.240 nan 0.000 0.515 411 F N 5.226 125.143 119.950 -0.055 0.000 2.462 411 F HA 0.333 4.860 4.527 0.001 0.000 0.360 411 F C 0.446 176.242 175.800 -0.006 0.000 1.134 411 F CA -0.574 57.405 58.000 -0.035 0.000 1.148 411 F CB 0.045 39.047 39.000 0.002 0.000 1.147 411 F HN 0.419 nan 8.300 nan 0.000 0.550 412 N N 8.006 126.510 118.700 -0.327 0.000 2.609 412 N HA 0.379 5.119 4.740 0.000 0.000 0.268 412 N C -2.474 172.896 175.510 -0.234 0.000 1.106 412 N CA -2.256 50.684 53.050 -0.184 0.000 0.823 412 N CB 1.646 40.087 38.487 -0.077 0.000 1.263 412 N HN 0.126 nan 8.380 nan 0.000 0.533 413 P HA 0.002 nan 4.420 nan 0.000 0.223 413 P C 0.367 177.687 177.300 0.033 0.000 1.151 413 P CA 0.699 63.707 63.100 -0.154 0.000 0.787 413 P CB 0.402 31.941 31.700 -0.268 0.000 0.788 414 D N -0.392 120.044 120.400 0.059 0.000 2.311 414 D HA -0.144 4.496 4.640 0.000 0.000 0.212 414 D C 1.787 178.082 176.300 -0.008 0.000 0.972 414 D CA 0.805 54.846 54.000 0.068 0.000 0.887 414 D CB -0.344 40.489 40.800 0.055 0.000 0.915 414 D HN 0.250 nan 8.370 nan 0.000 0.497 415 R N -0.655 119.797 120.500 -0.081 0.000 2.193 415 R HA -0.054 4.286 4.340 0.000 0.000 0.229 415 R C 1.129 177.169 176.300 -0.432 0.000 1.110 415 R CA 0.649 56.592 56.100 -0.263 0.000 0.988 415 R CB -0.104 29.948 30.300 -0.414 0.000 0.871 415 R HN 0.210 nan 8.270 nan 0.000 0.458 416 F N -0.220 119.672 119.950 -0.096 0.000 2.639 416 F HA 0.280 4.807 4.527 0.001 0.000 0.302 416 F C 1.478 177.256 175.800 -0.037 0.000 1.097 416 F CA -0.569 57.378 58.000 -0.088 0.000 1.294 416 F CB 0.297 39.218 39.000 -0.132 0.000 1.027 416 F HN -0.061 nan 8.300 nan 0.000 0.550 417 G N 1.895 110.751 108.800 0.094 0.000 2.690 417 G HA2 0.190 4.150 3.960 0.000 0.000 0.239 417 G HA3 0.190 4.150 3.960 0.000 0.000 0.239 417 G C -2.264 172.671 174.900 0.059 0.000 1.233 417 G CA -0.838 44.316 45.100 0.089 0.000 0.847 417 G HN -0.079 nan 8.290 nan 0.000 0.588 418 P HA 0.180 nan 4.420 nan 0.000 0.267 418 P C 0.904 178.216 177.300 0.020 0.000 1.205 418 P CA 1.082 64.205 63.100 0.039 0.000 0.765 418 P CB 1.065 32.788 31.700 0.038 0.000 0.828 419 G N 2.200 111.006 108.800 0.011 0.000 2.308 419 G HA2 -0.185 3.775 3.960 0.000 0.000 0.221 419 G HA3 -0.185 3.775 3.960 0.000 0.000 0.221 419 G C 0.349 175.239 174.900 -0.016 0.000 1.032 419 G CA 0.026 45.125 45.100 -0.002 0.000 0.623 419 G HN 0.869 nan 8.290 nan 0.000 0.506 420 A N 1.941 124.746 122.820 -0.025 0.000 2.454 420 A HA 0.625 4.945 4.320 0.000 0.000 0.260 420 A C -1.363 176.182 177.584 -0.065 0.000 1.106 420 A CA -0.364 51.638 52.037 -0.058 0.000 0.780 420 A CB -0.197 18.748 19.000 -0.091 0.000 1.044 420 A HN 0.274 nan 8.150 nan 0.000 0.498 421 P HA 0.078 nan 4.420 nan 0.000 0.262 421 P C -0.228 177.015 177.300 -0.095 0.000 1.182 421 P CA 0.237 63.295 63.100 -0.069 0.000 0.761 421 P CB 0.355 32.012 31.700 -0.073 0.000 0.795 422 K N 4.205 124.566 120.400 -0.066 0.000 2.355 422 K HA 0.167 4.487 4.320 0.000 0.000 0.270 422 K C -1.850 174.695 176.600 -0.092 0.000 1.003 422 K CA -1.161 55.092 56.287 -0.057 0.000 0.957 422 K CB -0.447 32.047 32.500 -0.011 0.000 0.939 422 K HN 0.423 nan 8.250 nan 0.000 0.482 423 P HA 0.033 nan 4.420 nan 0.000 0.268 423 P C -0.949 176.289 177.300 -0.104 0.000 1.204 423 P CA 0.082 63.134 63.100 -0.080 0.000 0.768 423 P CB 0.543 32.293 31.700 0.082 0.000 0.842 424 R N 3.038 123.455 120.500 -0.138 0.000 2.471 424 R HA 0.277 4.617 4.340 0.000 0.000 0.292 424 R C -0.256 175.999 176.300 -0.075 0.000 1.192 424 R CA -0.529 55.453 56.100 -0.197 0.000 1.257 424 R CB -0.903 29.371 30.300 -0.043 0.000 1.130 424 R HN 0.424 nan 8.270 nan 0.000 0.558 425 F N -0.174 119.803 119.950 0.045 0.000 2.988 425 F HA -0.309 4.218 4.527 0.000 0.000 0.287 425 F C 1.281 177.136 175.800 0.091 0.000 0.781 425 F CA 1.217 59.242 58.000 0.042 0.000 1.221 425 F CB -1.841 37.129 39.000 -0.051 0.000 1.392 425 F HN 0.474 nan 8.300 nan 0.000 0.425 426 T N -3.987 110.679 114.554 0.186 0.000 3.044 426 T HA 0.281 4.632 4.350 0.000 0.000 0.260 426 T C -0.328 174.638 174.700 0.444 0.000 1.019 426 T CA 0.119 62.310 62.100 0.153 0.000 0.921 426 T CB 0.314 69.076 68.868 -0.177 0.000 1.053 426 T HN 0.368 nan 8.240 nan 0.000 0.533 427 Y N 1.975 122.483 120.300 0.346 0.000 2.301 427 Y HA 0.493 5.043 4.550 0.000 0.000 0.325 427 Y C -2.042 174.027 175.900 0.283 0.000 1.103 427 Y CA -2.682 55.551 58.100 0.221 0.000 1.182 427 Y CB 0.871 39.519 38.460 0.314 0.000 1.139 427 Y HN 0.239 nan 8.280 nan 0.000 0.443 428 F N 6.488 126.270 119.950 -0.280 0.000 2.664 428 F HA 0.508 5.035 4.527 0.001 0.000 0.353 428 F C -2.587 173.013 175.800 -0.333 0.000 1.498 428 F CA -2.346 55.495 58.000 -0.266 0.000 1.109 428 F CB 0.506 39.464 39.000 -0.071 0.000 1.728 428 F HN 0.103 nan 8.300 nan 0.000 0.580 429 P HA -0.060 nan 4.420 nan 0.000 0.226 429 P C 0.508 177.437 177.300 -0.618 0.000 1.153 429 P CA 1.143 63.869 63.100 -0.623 0.000 0.777 429 P CB 0.004 31.230 31.700 -0.790 0.000 0.794 430 F N -0.691 119.165 119.950 -0.156 0.000 2.668 430 F HA 0.332 4.859 4.527 0.000 0.000 0.301 430 F C 1.298 177.073 175.800 -0.041 0.000 1.106 430 F CA -0.108 57.836 58.000 -0.094 0.000 1.289 430 F CB -0.244 38.708 39.000 -0.081 0.000 1.006 430 F HN -0.135 nan 8.300 nan 0.000 0.535 431 S N 0.181 115.971 115.700 0.150 0.000 3.697 431 S HA -0.160 4.311 4.470 0.000 0.000 0.638 431 S C -0.765 173.891 174.600 0.092 0.000 2.176 431 S CA 0.122 58.417 58.200 0.159 0.000 2.349 431 S CB -0.690 62.531 63.200 0.034 0.000 0.329 431 S HN 0.243 nan 8.310 nan 0.000 1.794 432 L N 0.717 121.916 121.223 -0.040 0.000 2.409 432 L HA 0.709 5.049 4.340 0.000 0.000 0.255 432 L C 1.001 177.838 176.870 -0.056 0.000 1.027 432 L CA -0.182 54.637 54.840 -0.035 0.000 0.834 432 L CB 1.488 43.507 42.059 -0.067 0.000 1.426 432 L HN 1.640 nan 8.230 nan 0.000 0.411 433 G N 0.431 109.245 108.800 0.022 0.000 2.569 433 G HA2 -0.306 3.654 3.960 0.000 0.000 0.259 433 G HA3 -0.306 3.654 3.960 0.000 0.000 0.259 433 G C 0.656 175.611 174.900 0.091 0.000 1.263 433 G CA 0.555 45.701 45.100 0.076 0.000 0.928 433 G HN 1.080 nan 8.290 nan 0.000 0.572 434 H N 0.781 119.870 119.070 0.031 0.000 2.457 434 H HA 0.085 4.642 4.556 0.001 0.000 0.294 434 H C 2.031 177.348 175.328 -0.019 0.000 1.064 434 H CA 1.524 57.633 56.048 0.102 0.000 1.330 434 H CB -0.084 29.796 29.762 0.197 0.000 1.395 434 H HN 0.378 nan 8.280 nan 0.000 0.541 435 R N 2.100 122.230 120.500 -0.617 0.000 2.388 435 R HA 0.114 4.454 4.340 0.000 0.000 0.247 435 R C 0.650 176.810 176.300 -0.234 0.000 0.931 435 R CA 0.345 56.106 56.100 -0.565 0.000 1.082 435 R CB -0.278 29.553 30.300 -0.780 0.000 1.135 435 R HN 0.473 nan 8.270 nan 0.000 0.525 436 S N -0.301 115.335 115.700 -0.108 0.000 2.580 436 S HA -0.039 4.431 4.470 0.000 0.000 0.266 436 S C 0.761 175.357 174.600 -0.007 0.000 1.354 436 S CA -0.706 57.479 58.200 -0.024 0.000 1.008 436 S CB 0.906 64.121 63.200 0.025 0.000 0.898 436 S HN 0.345 nan 8.310 nan 0.000 0.555 437 C N 3.233 122.550 119.300 0.029 0.000 2.638 437 C HA 0.136 4.596 4.460 0.000 0.000 0.410 437 C C 1.835 176.766 174.990 -0.097 0.000 1.404 437 C CA -0.400 58.620 59.018 0.003 0.000 1.651 437 C CB -2.143 25.707 27.740 0.185 0.000 2.495 437 C HN 0.954 nan 8.230 nan 0.000 0.606 438 I N 4.676 125.138 120.570 -0.180 0.000 2.454 438 I HA 0.013 4.183 4.170 0.000 0.000 0.254 438 I C 2.006 177.764 176.117 -0.599 0.000 1.156 438 I CA 1.931 63.007 61.300 -0.373 0.000 1.433 438 I CB -0.049 37.693 38.000 -0.430 0.000 1.082 438 I HN 0.907 nan 8.210 nan 0.000 0.432 439 G N -0.367 108.200 108.800 -0.389 0.000 3.042 439 G HA2 -0.089 3.871 3.960 0.000 0.000 0.212 439 G HA3 -0.089 3.871 3.960 0.000 0.000 0.212 439 G C 1.230 176.110 174.900 -0.034 0.000 1.166 439 G CA 0.067 45.048 45.100 -0.199 0.000 0.767 439 G HN 0.443 nan 8.290 nan 0.000 0.546 440 Q N 0.228 119.900 119.800 -0.214 0.000 1.991 440 Q HA -0.338 4.002 4.340 0.000 0.000 0.213 440 Q C 2.452 178.263 176.000 -0.315 0.000 1.022 440 Q CA 2.517 57.946 55.803 -0.625 0.000 0.877 440 Q CB -0.114 28.119 28.738 -0.843 0.000 0.970 440 Q HN 0.440 nan 8.270 nan 0.000 0.414 441 Q N -0.218 119.515 119.800 -0.112 0.000 2.135 441 Q HA -0.161 4.179 4.340 0.000 0.000 0.204 441 Q C 1.720 177.851 176.000 0.218 0.000 0.981 441 Q CA 1.955 57.789 55.803 0.051 0.000 0.856 441 Q CB -0.453 28.347 28.738 0.104 0.000 0.902 441 Q HN 0.543 nan 8.270 nan 0.000 0.425 442 F N 0.487 120.534 119.950 0.163 0.000 2.069 442 F HA -0.310 4.217 4.527 0.000 0.000 0.298 442 F C 2.038 177.929 175.800 0.153 0.000 1.113 442 F CA 1.278 59.447 58.000 0.281 0.000 1.214 442 F CB -0.194 39.053 39.000 0.412 0.000 0.978 442 F HN 0.121 nan 8.300 nan 0.000 0.474 443 A N 0.165 123.304 122.820 0.532 0.000 1.858 443 A HA -0.254 4.066 4.320 0.000 0.000 0.216 443 A C 2.057 179.769 177.584 0.212 0.000 1.190 443 A CA 1.854 54.111 52.037 0.366 0.000 0.617 443 A CB -1.050 18.174 19.000 0.374 0.000 0.827 443 A HN 0.623 nan 8.150 nan 0.000 0.443 444 Q N -1.007 118.887 119.800 0.156 0.000 2.135 444 Q HA -0.200 4.140 4.340 0.000 0.000 0.204 444 Q C 2.191 178.238 176.000 0.077 0.000 0.981 444 Q CA 1.861 57.738 55.803 0.124 0.000 0.856 444 Q CB -0.332 28.438 28.738 0.052 0.000 0.902 444 Q HN 0.745 nan 8.270 nan 0.000 0.425 445 M N 0.374 120.019 119.600 0.075 0.000 2.098 445 M HA -0.178 4.302 4.480 0.000 0.000 0.262 445 M C 2.292 178.497 176.300 -0.159 0.000 1.072 445 M CA 1.719 57.059 55.300 0.068 0.000 1.133 445 M CB -0.357 32.406 32.600 0.272 0.000 1.344 445 M HN 0.227 nan 8.290 nan 0.000 0.414 446 E N 0.931 120.806 120.200 -0.542 0.000 2.077 446 E HA -0.183 4.167 4.350 0.000 0.000 0.193 446 E C 1.847 178.268 176.600 -0.298 0.000 0.989 446 E CA 2.014 57.916 56.400 -0.831 0.000 0.800 446 E CB -0.677 28.410 29.700 -1.021 0.000 0.746 446 E HN 0.475 nan 8.360 nan 0.000 0.452 447 V N -0.303 119.536 119.914 -0.125 0.000 2.453 447 V HA -0.153 3.967 4.120 0.000 0.000 0.247 447 V C 2.268 178.324 176.094 -0.063 0.000 1.048 447 V CA 1.772 64.031 62.300 -0.070 0.000 1.049 447 V CB -0.590 31.220 31.823 -0.022 0.000 0.672 447 V HN 0.095 nan 8.190 nan 0.000 0.457 448 K N 0.281 120.661 120.400 -0.034 0.000 2.009 448 K HA -0.107 4.213 4.320 0.000 0.000 0.210 448 K C 2.226 178.809 176.600 -0.028 0.000 1.049 448 K CA 2.010 58.285 56.287 -0.020 0.000 0.929 448 K CB -0.560 31.939 32.500 -0.001 0.000 0.714 448 K HN 0.481 nan 8.250 nan 0.000 0.440 449 V N 1.013 120.903 119.914 -0.039 0.000 2.255 449 V HA -0.268 3.853 4.120 0.000 0.000 0.247 449 V C 2.320 178.402 176.094 -0.020 0.000 1.051 449 V CA 1.738 64.023 62.300 -0.024 0.000 1.018 449 V CB -0.419 31.404 31.823 -0.000 0.000 0.641 449 V HN 0.116 nan 8.190 nan 0.000 0.445 450 V N -0.690 119.199 119.914 -0.042 0.000 2.287 450 V HA -0.317 3.803 4.120 0.000 0.000 0.248 450 V C 2.498 178.584 176.094 -0.013 0.000 1.053 450 V CA 2.145 64.431 62.300 -0.022 0.000 1.027 450 V CB -0.616 31.181 31.823 -0.043 0.000 0.646 450 V HN 0.411 nan 8.190 nan 0.000 0.447 451 M N -0.324 119.256 119.600 -0.035 0.000 2.132 451 M HA -0.104 4.376 4.480 0.000 0.000 0.263 451 M C 2.453 178.759 176.300 0.011 0.000 1.065 451 M CA 2.169 57.453 55.300 -0.028 0.000 1.122 451 M CB -1.529 31.039 32.600 -0.053 0.000 1.365 451 M HN 0.412 nan 8.290 nan 0.000 0.411 452 A N 0.595 123.421 122.820 0.010 0.000 1.883 452 A HA -0.207 4.114 4.320 0.000 0.000 0.217 452 A C 2.289 179.896 177.584 0.038 0.000 1.186 452 A CA 1.818 53.870 52.037 0.024 0.000 0.624 452 A CB -0.628 18.379 19.000 0.011 0.000 0.822 452 A HN 0.450 nan 8.150 nan 0.000 0.444 453 K N -0.508 119.914 120.400 0.036 0.000 2.063 453 K HA -0.115 4.206 4.320 0.000 0.000 0.208 453 K C 1.939 178.583 176.600 0.075 0.000 1.048 453 K CA 1.523 57.840 56.287 0.050 0.000 0.928 453 K CB -0.485 32.044 32.500 0.049 0.000 0.713 453 K HN 0.524 nan 8.250 nan 0.000 0.442 454 L N 0.757 122.039 121.223 0.098 0.000 2.093 454 L HA -0.167 4.174 4.340 0.000 0.000 0.208 454 L C 2.379 179.357 176.870 0.181 0.000 1.085 454 L CA 0.861 55.809 54.840 0.179 0.000 0.755 454 L CB -0.375 41.817 42.059 0.223 0.000 0.904 454 L HN 0.144 nan 8.230 nan 0.000 0.435 455 L N -0.885 120.412 121.223 0.125 0.000 2.141 455 L HA -0.191 4.149 4.340 0.000 0.000 0.209 455 L C 2.625 179.545 176.870 0.083 0.000 1.094 455 L CA 0.983 55.890 54.840 0.111 0.000 0.763 455 L CB -0.339 41.773 42.059 0.088 0.000 0.908 455 L HN 0.297 nan 8.230 nan 0.000 0.437 456 Q N -0.525 119.316 119.800 0.067 0.000 2.124 456 Q HA -0.145 4.195 4.340 0.000 0.000 0.202 456 Q C 1.904 177.928 176.000 0.039 0.000 0.977 456 Q CA 1.300 57.132 55.803 0.049 0.000 0.850 456 Q CB 0.237 29.002 28.738 0.044 0.000 0.901 456 Q HN 0.413 nan 8.270 nan 0.000 0.429 457 R N -1.767 118.756 120.500 0.039 0.000 2.492 457 R HA 0.291 4.631 4.340 0.000 0.000 0.219 457 R C 0.036 176.322 176.300 -0.024 0.000 0.886 457 R CA 0.169 56.277 56.100 0.013 0.000 1.003 457 R CB 0.892 31.203 30.300 0.017 0.000 1.345 457 R HN 0.098 nan 8.270 nan 0.000 0.631 458 L N 1.758 122.963 121.223 -0.030 0.000 2.362 458 L HA 0.419 4.759 4.340 0.000 0.000 0.271 458 L C -0.512 176.258 176.870 -0.166 0.000 1.002 458 L CA -0.655 54.077 54.840 -0.179 0.000 0.818 458 L CB 2.562 44.418 42.059 -0.338 0.000 1.298 458 L HN -0.122 nan 8.230 nan 0.000 0.420 459 E N 2.010 122.057 120.200 -0.256 0.000 2.183 459 E HA 0.543 4.893 4.350 0.000 0.000 0.271 459 E C -1.543 174.867 176.600 -0.317 0.000 0.919 459 E CA -0.593 55.727 56.400 -0.133 0.000 0.781 459 E CB 2.302 31.975 29.700 -0.044 0.000 1.140 459 E HN 0.202 nan 8.360 nan 0.000 0.402 460 F N 1.037 120.989 119.950 0.004 0.000 2.492 460 F HA 0.516 5.043 4.527 -0.000 0.000 0.327 460 F C 0.255 176.055 175.800 0.000 0.000 1.079 460 F CA -0.832 57.166 58.000 -0.003 0.000 0.967 460 F CB 1.618 40.611 39.000 -0.012 0.000 1.169 460 F HN 0.125 nan 8.300 nan 0.000 0.472 461 R N 2.236 122.837 120.500 0.168 0.000 2.502 461 R HA 0.410 4.750 4.340 0.000 0.000 0.298 461 R C -1.604 174.743 176.300 0.077 0.000 1.018 461 R CA -1.081 55.080 56.100 0.101 0.000 0.899 461 R CB 2.048 32.380 30.300 0.052 0.000 1.181 461 R HN 0.462 nan 8.270 nan 0.000 0.444 462 L N 3.275 124.530 121.223 0.054 0.000 2.499 462 L HA 0.060 4.400 4.340 0.000 0.000 0.273 462 L C -0.179 176.681 176.870 -0.017 0.000 1.195 462 L CA 0.373 55.204 54.840 -0.015 0.000 0.882 462 L CB 0.898 42.910 42.059 -0.079 0.000 1.133 462 L HN 0.351 nan 8.230 nan 0.000 0.483 463 V N 8.473 128.364 119.914 -0.037 0.000 2.529 463 V HA 0.135 4.256 4.120 0.000 0.000 0.292 463 V C -1.715 174.358 176.094 -0.036 0.000 1.028 463 V CA -1.249 61.035 62.300 -0.028 0.000 1.074 463 V CB 0.419 32.225 31.823 -0.029 0.000 0.958 463 V HN 0.785 nan 8.190 nan 0.000 0.481 464 P HA 0.066 nan 4.420 nan 0.000 0.263 464 P C 0.915 178.204 177.300 -0.018 0.000 1.175 464 P CA 1.389 64.486 63.100 -0.004 0.000 0.761 464 P CB 0.302 32.006 31.700 0.006 0.000 0.794 465 G N 1.039 109.830 108.800 -0.015 0.000 2.176 465 G HA2 -0.204 3.756 3.960 0.000 0.000 0.253 465 G HA3 -0.204 3.756 3.960 0.000 0.000 0.253 465 G C 0.095 174.963 174.900 -0.054 0.000 0.979 465 G CA -0.355 44.732 45.100 -0.021 0.000 0.641 465 G HN 0.560 nan 8.290 nan 0.000 0.530 466 Q N 0.506 120.246 119.800 -0.100 0.000 2.314 466 Q HA 0.441 4.781 4.340 0.000 0.000 0.258 466 Q C 0.835 176.694 176.000 -0.235 0.000 0.954 466 Q CA 0.089 55.788 55.803 -0.173 0.000 0.890 466 Q CB 0.864 29.465 28.738 -0.229 0.000 1.210 466 Q HN 0.575 nan 8.270 nan 0.000 0.410 467 R N 1.155 121.538 120.500 -0.196 0.000 2.500 467 R HA 0.295 4.635 4.340 0.000 0.000 0.277 467 R C 0.328 176.488 176.300 -0.234 0.000 1.026 467 R CA -0.307 55.717 56.100 -0.126 0.000 1.058 467 R CB 0.601 30.888 30.300 -0.022 0.000 1.078 467 R HN 0.499 nan 8.270 nan 0.000 0.509 468 F N -0.012 119.943 119.950 0.008 0.000 2.732 468 F HA 0.208 4.736 4.527 0.002 0.000 0.303 468 F C 1.505 177.344 175.800 0.064 0.000 1.110 468 F CA -0.218 57.792 58.000 0.017 0.000 1.355 468 F CB 0.353 39.367 39.000 0.023 0.000 1.081 468 F HN 0.622 nan 8.300 nan 0.000 0.565 469 G N 0.193 109.102 108.800 0.182 0.000 2.580 469 G HA2 0.507 4.467 3.960 0.000 0.000 0.278 469 G HA3 0.507 4.467 3.960 0.000 0.000 0.278 469 G C -0.841 174.170 174.900 0.185 0.000 1.212 469 G CA -0.358 44.847 45.100 0.175 0.000 0.939 469 G HN -0.056 nan 8.290 nan 0.000 0.513 470 L N -0.593 120.747 121.223 0.195 0.000 2.334 470 L HA 0.519 4.860 4.340 0.000 0.000 0.270 470 L C 0.300 177.229 176.870 0.099 0.000 1.018 470 L CA -0.673 54.300 54.840 0.221 0.000 0.811 470 L CB 1.982 44.197 42.059 0.260 0.000 1.271 470 L HN 0.733 nan 8.230 nan 0.000 0.443 471 Q N 0.198 120.047 119.800 0.081 0.000 2.372 471 Q HA 0.481 4.821 4.340 0.000 0.000 0.273 471 Q C -1.125 174.894 176.000 0.032 0.000 1.078 471 Q CA -0.740 55.078 55.803 0.026 0.000 0.806 471 Q CB 2.387 31.130 28.738 0.008 0.000 1.332 471 Q HN 0.587 nan 8.270 nan 0.000 0.435 472 E N 2.317 122.517 120.200 0.001 0.000 2.044 472 E HA 0.081 4.432 4.350 0.000 0.000 0.282 472 E C -0.710 175.924 176.600 0.056 0.000 1.031 472 E CA 0.057 56.476 56.400 0.032 0.000 0.824 472 E CB 1.079 30.774 29.700 -0.009 0.000 1.076 472 E HN 0.624 nan 8.360 nan 0.000 0.395 473 Q N 2.458 122.296 119.800 0.064 0.000 3.073 473 Q HA 0.378 4.718 4.340 0.000 0.000 0.219 473 Q C 1.285 177.331 176.000 0.076 0.000 1.167 473 Q CA 0.777 56.613 55.803 0.054 0.000 0.334 473 Q CB 0.048 28.802 28.738 0.025 0.000 5.769 473 Q HN 0.597 nan 8.270 nan 0.000 0.319 474 A N -0.559 122.286 122.820 0.043 0.000 1.968 474 A HA 0.056 4.376 4.320 0.000 0.000 0.217 474 A C 0.882 178.490 177.584 0.040 0.000 1.169 474 A CA 1.707 53.758 52.037 0.024 0.000 0.638 474 A CB -0.690 18.313 19.000 0.005 0.000 0.812 474 A HN 0.627 nan 8.150 nan 0.000 0.446 475 T N -3.837 110.746 114.554 0.049 0.000 2.773 475 T HA 0.656 5.006 4.350 0.000 0.000 0.278 475 T C -0.393 174.388 174.700 0.135 0.000 1.011 475 T CA -0.871 61.270 62.100 0.068 0.000 1.014 475 T CB 0.760 69.635 68.868 0.011 0.000 1.293 475 T HN 0.079 nan 8.240 nan 0.000 0.554 476 L N 1.881 123.221 121.223 0.195 0.000 2.290 476 L HA 0.556 4.896 4.340 0.000 0.000 0.284 476 L C 0.364 177.420 176.870 0.310 0.000 1.078 476 L CA -0.635 54.360 54.840 0.258 0.000 0.815 476 L CB 0.602 42.827 42.059 0.276 0.000 1.162 476 L HN 0.771 nan 8.230 nan 0.000 0.435 477 K N 2.675 123.179 120.400 0.173 0.000 2.509 477 K HA 0.669 4.989 4.320 0.000 0.000 0.266 477 K C -3.038 173.429 176.600 -0.222 0.000 0.987 477 K CA -2.265 53.886 56.287 -0.227 0.000 0.868 477 K CB 1.588 33.952 32.500 -0.227 0.000 1.421 477 K HN 0.046 nan 8.250 nan 0.000 0.444 478 P HA -0.054 nan 4.420 nan 0.000 0.266 478 P C 0.563 177.793 177.300 -0.118 0.000 1.195 478 P CA -0.390 62.558 63.100 -0.253 0.000 0.768 478 P CB 0.412 31.884 31.700 -0.381 0.000 0.838 479 L N 2.677 123.881 121.223 -0.031 0.000 1.994 479 L HA -0.048 4.292 4.340 0.000 0.000 0.208 479 L C 0.431 177.261 176.870 -0.067 0.000 1.071 479 L CA 2.091 56.913 54.840 -0.030 0.000 0.745 479 L CB -0.624 41.436 42.059 0.002 0.000 0.892 479 L HN 0.284 nan 8.230 nan 0.000 0.431 480 D N -0.151 120.193 120.400 -0.094 0.000 2.193 480 D HA 0.268 4.908 4.640 0.000 0.000 0.249 480 D C -1.855 174.357 176.300 -0.146 0.000 1.034 480 D CA -1.894 52.039 54.000 -0.113 0.000 0.902 480 D CB 1.049 41.773 40.800 -0.127 0.000 1.182 480 D HN 0.111 nan 8.370 nan 0.000 0.436 481 P HA -0.038 nan 4.420 nan 0.000 0.259 481 P C -0.096 177.111 177.300 -0.156 0.000 1.307 481 P CA 0.134 63.149 63.100 -0.141 0.000 0.768 481 P CB 0.041 31.678 31.700 -0.104 0.000 1.199 482 V N -2.387 117.421 119.914 -0.178 0.000 6.078 482 V HA -0.241 3.879 4.120 0.000 0.000 0.301 482 V C 0.563 176.582 176.094 -0.126 0.000 0.571 482 V CA 0.322 62.510 62.300 -0.187 0.000 0.625 482 V CB -2.724 28.970 31.823 -0.216 0.000 0.271 482 V HN 0.242 nan 8.190 nan 0.000 0.788 483 L N 1.221 122.380 121.223 -0.107 0.000 2.418 483 L HA 0.376 4.716 4.340 0.000 0.000 0.274 483 L C 0.395 177.245 176.870 -0.033 0.000 1.135 483 L CA 0.312 55.117 54.840 -0.058 0.000 0.870 483 L CB 0.866 42.893 42.059 -0.053 0.000 1.154 483 L HN 0.621 nan 8.230 nan 0.000 0.462 484 C N 1.252 120.562 119.300 0.017 0.000 2.802 484 C HA 0.631 5.091 4.460 0.000 0.000 0.307 484 C C 0.512 175.534 174.990 0.053 0.000 1.222 484 C CA -0.793 58.263 59.018 0.064 0.000 1.580 484 C CB 1.997 29.853 27.740 0.193 0.000 2.119 484 C HN 0.813 nan 8.230 nan 0.000 0.479 485 T N 0.534 115.110 114.554 0.036 0.000 2.907 485 T HA 0.843 5.193 4.350 0.000 0.000 0.284 485 T C -0.801 173.880 174.700 -0.031 0.000 1.004 485 T CA -0.422 61.681 62.100 0.004 0.000 1.063 485 T CB 0.698 69.564 68.868 -0.004 0.000 0.992 485 T HN 0.388 nan 8.240 nan 0.000 0.483 486 L N 0.927 122.094 121.223 -0.093 0.000 2.309 486 L HA 0.928 5.268 4.340 0.000 0.000 0.261 486 L C -0.131 176.638 176.870 -0.170 0.000 1.021 486 L CA -1.112 53.592 54.840 -0.226 0.000 0.823 486 L CB 1.826 43.682 42.059 -0.338 0.000 1.366 486 L HN 0.589 nan 8.230 nan 0.000 0.423 487 R N 0.402 120.778 120.500 -0.208 0.000 2.604 487 R HA 0.624 4.964 4.340 0.000 0.000 0.270 487 R C -2.882 173.334 176.300 -0.140 0.000 1.052 487 R CA -2.084 53.939 56.100 -0.129 0.000 0.902 487 R CB 2.174 32.419 30.300 -0.092 0.000 1.233 487 R HN 0.291 nan 8.270 nan 0.000 0.455 488 P HA 0.179 nan 4.420 nan 0.000 0.272 488 P C -0.385 176.882 177.300 -0.055 0.000 1.223 488 P CA -0.299 62.757 63.100 -0.073 0.000 0.784 488 P CB 0.749 32.422 31.700 -0.045 0.000 0.923 489 R N 0.000 120.476 120.500 -0.040 0.000 2.786 489 R HA 0.000 4.340 4.340 0.000 0.000 0.208 489 R CA 0.000 56.089 56.100 -0.019 0.000 0.921 489 R CB 0.000 30.299 30.300 -0.001 0.000 0.687 489 R HN 0.000 nan 8.270 nan 0.000 0.535