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 2q9g_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 LXXXXXXXXX XLREVRESIR 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 RG 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 0.000 175.854 176.094 -0.401 0.000 1.182 59 V CA 0.000 62.151 62.300 -0.249 0.000 1.235 59 V CB 0.000 31.669 31.823 -0.257 0.000 1.184 60 L N 1.523 122.442 121.223 -0.506 0.000 2.043 60 L HA -0.086 4.258 4.340 0.007 0.000 0.212 60 L C 2.648 178.882 176.870 -1.059 0.000 1.075 60 L CA 2.565 56.938 54.840 -0.778 0.000 0.752 60 L CB -0.919 40.661 42.059 -0.797 0.000 0.891 60 L HN 0.925 nan 8.230 nan 0.000 0.432 61 Q N -0.215 119.015 119.800 -0.950 0.000 2.133 61 Q HA -0.254 4.090 4.340 0.007 0.000 0.208 61 Q C 1.987 177.720 176.000 -0.446 0.000 0.991 61 Q CA 2.012 57.310 55.803 -0.842 0.000 0.867 61 Q CB -0.668 27.398 28.738 -1.119 0.000 0.911 61 Q HN 0.654 nan 8.270 nan 0.000 0.417 62 D N -0.163 120.025 120.400 -0.353 0.000 2.178 62 D HA -0.094 4.550 4.640 0.007 0.000 0.201 62 D C 2.035 178.171 176.300 -0.273 0.000 0.980 62 D CA 0.696 54.605 54.000 -0.153 0.000 0.842 62 D CB 0.134 40.880 40.800 -0.090 0.000 0.948 62 D HN 0.075 nan 8.370 nan 0.000 0.472 63 V N 1.203 120.821 119.914 -0.495 0.000 2.343 63 V HA -0.233 3.891 4.120 0.007 0.000 0.247 63 V C 2.237 177.907 176.094 -0.706 0.000 1.051 63 V CA 1.233 63.126 62.300 -0.679 0.000 1.036 63 V CB -0.553 30.748 31.823 -0.870 0.000 0.654 63 V HN 0.044 nan 8.190 nan 0.000 0.451 64 F N -0.372 119.222 119.950 -0.594 0.000 2.171 64 F HA -0.136 4.396 4.527 0.009 0.000 0.300 64 F C 2.147 177.848 175.800 -0.164 0.000 1.090 64 F CA 0.992 58.762 58.000 -0.383 0.000 1.293 64 F CB -1.363 37.462 39.000 -0.293 0.000 1.013 64 F HN 0.132 nan 8.300 nan 0.000 0.486 65 L N 0.816 122.072 121.223 0.055 0.000 1.990 65 L HA -0.261 4.083 4.340 0.007 0.000 0.213 65 L C 2.083 178.973 176.870 0.033 0.000 1.072 65 L CA 2.273 57.149 54.840 0.060 0.000 0.755 65 L CB -1.264 40.824 42.059 0.048 0.000 0.889 65 L HN 0.119 nan 8.230 nan 0.000 0.432 66 D N -1.540 118.839 120.400 -0.035 0.000 2.117 66 D HA -0.242 4.402 4.640 0.007 0.000 0.197 66 D C 1.875 178.262 176.300 0.144 0.000 0.987 66 D CA 1.410 55.412 54.000 0.004 0.000 0.829 66 D CB -0.254 40.525 40.800 -0.035 0.000 0.961 66 D HN 0.465 nan 8.370 nan 0.000 0.460 67 W N 0.944 122.288 121.300 0.073 0.000 2.425 67 W HA 0.211 4.875 4.660 0.005 0.000 0.277 67 W C 2.373 178.948 176.519 0.094 0.000 1.231 67 W CA 0.657 58.083 57.345 0.136 0.000 1.248 67 W CB -1.251 28.397 29.460 0.314 0.000 1.117 67 W HN 0.069 nan 8.180 nan 0.000 0.568 68 A N 0.691 123.674 122.820 0.271 0.000 1.897 68 A HA -0.168 4.156 4.320 0.007 0.000 0.215 68 A C 2.053 179.688 177.584 0.087 0.000 1.181 68 A CA 1.594 53.733 52.037 0.170 0.000 0.620 68 A CB -0.573 18.512 19.000 0.142 0.000 0.821 68 A HN 0.238 nan 8.150 nan 0.000 0.443 69 K N -0.391 120.034 120.400 0.041 0.000 2.097 69 K HA -0.139 4.185 4.320 0.007 0.000 0.206 69 K C 2.143 178.703 176.600 -0.068 0.000 1.049 69 K CA 1.645 57.918 56.287 -0.023 0.000 0.933 69 K CB -0.074 32.404 32.500 -0.036 0.000 0.717 69 K HN 0.501 nan 8.250 nan 0.000 0.442 70 K N -0.298 120.022 120.400 -0.134 0.000 2.202 70 K HA -0.027 4.297 4.320 0.007 0.000 0.201 70 K C 0.679 177.056 176.600 -0.371 0.000 1.051 70 K CA 0.785 56.858 56.287 -0.357 0.000 0.977 70 K CB 0.354 32.471 32.500 -0.639 0.000 0.792 70 K HN 0.064 nan 8.250 nan 0.000 0.469 71 Y N 0.015 120.348 120.300 0.056 0.000 2.612 71 Y HA 0.352 4.905 4.550 0.006 0.000 0.250 71 Y C 0.496 176.406 175.900 0.016 0.000 1.175 71 Y CA -0.032 58.076 58.100 0.013 0.000 1.205 71 Y CB 1.156 39.602 38.460 -0.024 0.000 1.201 71 Y HN 0.261 nan 8.280 nan 0.000 0.532 72 G N 1.334 110.212 108.800 0.130 0.000 2.655 72 G HA2 -0.173 3.790 3.960 0.007 0.000 0.680 72 G HA3 -0.173 3.790 3.960 0.007 0.000 0.680 72 G C -1.931 173.026 174.900 0.094 0.000 1.302 72 G CA -0.526 44.629 45.100 0.092 0.000 0.872 72 G HN -0.008 nan 8.290 nan 0.000 0.540 73 P HA 0.118 nan 4.420 nan 0.000 0.236 73 P C 0.284 177.617 177.300 0.056 0.000 1.172 73 P CA 1.244 64.397 63.100 0.088 0.000 0.759 73 P CB 0.143 31.900 31.700 0.095 0.000 0.843 74 V N 0.351 120.288 119.914 0.040 0.000 2.532 74 V HA 0.278 4.402 4.120 0.007 0.000 0.294 74 V C -0.429 175.660 176.094 -0.008 0.000 1.036 74 V CA -0.667 61.633 62.300 -0.001 0.000 0.876 74 V CB 2.486 34.307 31.823 -0.003 0.000 1.012 74 V HN -0.284 nan 8.190 nan 0.000 0.432 75 V N 4.315 124.210 119.914 -0.033 0.000 2.733 75 V HA 0.535 4.659 4.120 0.007 0.000 0.306 75 V C -0.117 175.929 176.094 -0.080 0.000 1.084 75 V CA -0.843 61.438 62.300 -0.032 0.000 0.905 75 V CB 2.387 34.248 31.823 0.064 0.000 1.010 75 V HN 0.872 nan 8.190 nan 0.000 0.424 76 R N 3.211 123.653 120.500 -0.096 0.000 2.265 76 R HA 0.733 5.076 4.340 0.007 0.000 0.314 76 R C -0.671 175.589 176.300 -0.067 0.000 1.053 76 R CA -0.145 55.898 56.100 -0.094 0.000 0.931 76 R CB 1.327 31.572 30.300 -0.092 0.000 1.024 76 R HN 0.753 nan 8.270 nan 0.000 0.457 77 V N 0.817 120.700 119.914 -0.052 0.000 3.182 77 V HA 0.569 4.693 4.120 0.007 0.000 0.308 77 V C -1.340 174.792 176.094 0.064 0.000 1.240 77 V CA -1.303 61.035 62.300 0.065 0.000 1.063 77 V CB 2.494 34.257 31.823 -0.100 0.000 1.076 77 V HN 0.720 nan 8.190 nan 0.000 0.446 78 N N 1.081 119.883 118.700 0.169 0.000 2.444 78 N HA 0.644 5.388 4.740 0.007 0.000 0.262 78 N C -1.085 174.483 175.510 0.098 0.000 0.974 78 N CA -0.150 52.967 53.050 0.112 0.000 0.933 78 N CB 1.835 40.389 38.487 0.111 0.000 1.137 78 N HN 0.778 nan 8.380 nan 0.000 0.498 79 V N 3.773 123.698 119.914 0.018 0.000 2.588 79 V HA 0.443 4.566 4.120 0.007 0.000 0.304 79 V C -0.538 175.433 176.094 -0.205 0.000 1.042 79 V CA -0.497 61.701 62.300 -0.171 0.000 0.877 79 V CB 0.258 32.036 31.823 -0.074 0.000 0.996 79 V HN 0.676 nan 8.190 nan 0.000 0.425 80 F N 7.215 127.121 119.950 -0.074 0.000 3.097 80 F HA -0.191 4.340 4.527 0.005 0.000 0.278 80 F C 1.052 176.813 175.800 -0.065 0.000 0.917 80 F CA 1.438 59.366 58.000 -0.119 0.000 0.962 80 F CB -2.624 36.352 39.000 -0.040 0.000 0.964 80 F HN 1.003 nan 8.300 nan 0.000 0.668 81 H N -4.000 115.155 119.070 0.141 0.000 3.395 81 H HA -0.189 4.371 4.556 0.006 0.000 0.222 81 H C 0.751 176.123 175.328 0.072 0.000 1.099 81 H CA 1.365 57.471 56.048 0.097 0.000 1.182 81 H CB -0.927 28.891 29.762 0.095 0.000 1.188 81 H HN 0.362 nan 8.280 nan 0.000 0.317 82 K N 0.953 121.436 120.400 0.137 0.000 2.211 82 K HA 0.500 4.824 4.320 0.007 0.000 0.237 82 K C 0.620 177.253 176.600 0.055 0.000 1.002 82 K CA -0.056 56.277 56.287 0.076 0.000 0.885 82 K CB 1.196 33.713 32.500 0.027 0.000 1.136 82 K HN 0.238 nan 8.250 nan 0.000 0.448 83 T N -2.105 112.470 114.554 0.036 0.000 2.907 83 T HA 0.756 5.110 4.350 0.007 0.000 0.284 83 T C -0.052 174.657 174.700 0.014 0.000 1.004 83 T CA -0.655 61.460 62.100 0.025 0.000 1.063 83 T CB 1.031 69.907 68.868 0.013 0.000 0.992 83 T HN 0.569 nan 8.240 nan 0.000 0.483 84 S N 0.397 116.101 115.700 0.007 0.000 2.752 84 S HA 0.686 5.160 4.470 0.007 0.000 0.284 84 S C -1.359 173.205 174.600 -0.059 0.000 1.189 84 S CA -0.932 57.270 58.200 0.004 0.000 0.835 84 S CB 1.122 64.385 63.200 0.106 0.000 1.192 84 S HN 0.794 nan 8.310 nan 0.000 0.506 85 V N 1.678 121.536 119.914 -0.094 0.000 2.378 85 V HA 0.483 4.607 4.120 0.007 0.000 0.288 85 V C -0.240 175.714 176.094 -0.233 0.000 1.016 85 V CA -0.651 61.559 62.300 -0.150 0.000 0.840 85 V CB 1.163 32.902 31.823 -0.140 0.000 0.994 85 V HN 0.856 nan 8.190 nan 0.000 0.431 86 I N 5.840 126.256 120.570 -0.256 0.000 2.441 86 I HA 0.431 4.605 4.170 0.007 0.000 0.287 86 I C -0.763 175.216 176.117 -0.229 0.000 1.049 86 I CA 0.048 61.169 61.300 -0.298 0.000 1.381 86 I CB 1.146 38.939 38.000 -0.345 0.000 1.409 86 I HN 0.371 nan 8.210 nan 0.000 0.523 87 V N 6.279 126.015 119.914 -0.298 0.000 2.407 87 V HA 0.272 4.396 4.120 0.007 0.000 0.291 87 V C 0.566 176.645 176.094 -0.026 0.000 1.018 87 V CA -0.323 61.862 62.300 -0.191 0.000 0.842 87 V CB 1.382 32.998 31.823 -0.344 0.000 0.996 87 V HN 0.858 nan 8.190 nan 0.000 0.426 88 T N -0.943 113.661 114.554 0.083 0.000 3.200 88 T HA 0.189 4.543 4.350 0.007 0.000 0.284 88 T C 0.496 175.341 174.700 0.241 0.000 1.009 88 T CA 0.127 62.342 62.100 0.191 0.000 0.907 88 T CB 0.168 69.163 68.868 0.212 0.000 1.120 88 T HN 0.659 nan 8.240 nan 0.000 0.534 89 S N 1.775 117.582 115.700 0.180 0.000 2.541 89 S HA 0.486 4.960 4.470 0.007 0.000 0.283 89 S C -1.554 173.092 174.600 0.076 0.000 1.196 89 S CA -1.414 56.881 58.200 0.159 0.000 1.062 89 S CB 2.021 65.297 63.200 0.126 0.000 1.009 89 S HN -0.005 nan 8.310 nan 0.000 0.502 90 P HA -0.126 nan 4.420 nan 0.000 0.216 90 P C 0.734 177.991 177.300 -0.071 0.000 1.150 90 P CA 1.298 64.383 63.100 -0.025 0.000 0.837 90 P CB 0.075 31.723 31.700 -0.087 0.000 0.786 91 E N 0.210 120.364 120.200 -0.076 0.000 2.110 91 E HA -0.101 4.252 4.350 0.007 0.000 0.193 91 E C 2.310 178.806 176.600 -0.173 0.000 0.988 91 E CA 1.394 57.701 56.400 -0.155 0.000 0.804 91 E CB -1.026 28.619 29.700 -0.091 0.000 0.745 91 E HN 0.243 nan 8.360 nan 0.000 0.458 92 S N -0.079 115.598 115.700 -0.038 0.000 2.383 92 S HA -0.094 4.380 4.470 0.007 0.000 0.227 92 S C 2.115 176.793 174.600 0.130 0.000 1.026 92 S CA 0.845 59.083 58.200 0.064 0.000 0.981 92 S CB -0.204 63.144 63.200 0.246 0.000 0.818 92 S HN 0.061 nan 8.310 nan 0.000 0.472 93 V N 2.321 122.293 119.914 0.097 0.000 2.255 93 V HA -0.253 3.871 4.120 0.007 0.000 0.247 93 V C 2.431 178.354 176.094 -0.285 0.000 1.051 93 V CA 2.032 64.318 62.300 -0.024 0.000 1.018 93 V CB -0.602 31.227 31.823 0.009 0.000 0.641 93 V HN 0.454 nan 8.190 nan 0.000 0.445 94 K N 0.441 120.513 120.400 -0.547 0.000 2.009 94 K HA -0.276 4.048 4.320 0.007 0.000 0.210 94 K C 2.343 178.644 176.600 -0.498 0.000 1.049 94 K CA 2.188 57.918 56.287 -0.929 0.000 0.929 94 K CB -0.276 31.385 32.500 -1.397 0.000 0.714 94 K HN 0.392 nan 8.250 nan 0.000 0.440 95 K N -0.403 119.719 120.400 -0.463 0.000 2.020 95 K HA -0.192 4.131 4.320 0.007 0.000 0.212 95 K C 1.952 178.267 176.600 -0.475 0.000 1.050 95 K CA 2.138 58.121 56.287 -0.506 0.000 0.929 95 K CB -0.212 31.829 32.500 -0.765 0.000 0.714 95 K HN 0.118 nan 8.250 nan 0.000 0.443 96 F N 0.693 120.475 119.950 -0.279 0.000 2.335 96 F HA 0.051 4.580 4.527 0.003 0.000 0.296 96 F C 1.965 177.605 175.800 -0.266 0.000 1.091 96 F CA 0.587 58.336 58.000 -0.419 0.000 1.399 96 F CB -0.094 38.659 39.000 -0.411 0.000 1.067 96 F HN -0.032 nan 8.300 nan 0.000 0.520 97 L N -0.957 120.129 121.223 -0.228 0.000 2.270 97 L HA -0.022 4.322 4.340 0.007 0.000 0.210 97 L C 1.620 178.464 176.870 -0.044 0.000 1.104 97 L CA 0.504 55.200 54.840 -0.239 0.000 0.804 97 L CB -0.345 41.455 42.059 -0.432 0.000 0.937 97 L HN 0.091 nan 8.230 nan 0.000 0.450 98 M N -0.816 118.774 119.600 -0.016 0.000 2.505 98 M HA 0.148 4.632 4.480 0.007 0.000 0.230 98 M C 0.479 176.836 176.300 0.096 0.000 1.153 98 M CA 0.331 55.667 55.300 0.060 0.000 0.997 98 M CB -0.300 32.329 32.600 0.049 0.000 1.606 98 M HN -0.017 nan 8.290 nan 0.000 0.481 99 S N 0.211 116.004 115.700 0.154 0.000 2.561 99 S HA 0.325 4.799 4.470 0.007 0.000 0.303 99 S C 1.167 175.838 174.600 0.119 0.000 1.110 99 S CA -0.392 57.886 58.200 0.129 0.000 1.034 99 S CB 1.199 64.482 63.200 0.139 0.000 1.010 99 S HN 0.513 nan 8.310 nan 0.000 0.482 100 T N 2.151 116.660 114.554 -0.075 0.000 2.977 100 T HA -0.090 4.264 4.350 0.007 0.000 0.271 100 T C 1.543 176.046 174.700 -0.330 0.000 1.105 100 T CA 1.179 63.063 62.100 -0.360 0.000 1.116 100 T CB -0.343 68.259 68.868 -0.443 0.000 0.878 100 T HN 0.676 nan 8.240 nan 0.000 0.509 101 K N 0.172 120.382 120.400 -0.316 0.000 2.211 101 K HA -0.071 4.253 4.320 0.007 0.000 0.204 101 K C -0.483 175.837 176.600 -0.467 0.000 1.047 101 K CA 0.768 56.762 56.287 -0.489 0.000 0.935 101 K CB -0.106 31.972 32.500 -0.703 0.000 0.728 101 K HN 0.567 nan 8.250 nan 0.000 0.452 102 Y N 0.942 121.301 120.300 0.099 0.000 2.331 102 Y HA 0.317 4.864 4.550 -0.005 0.000 0.338 102 Y C -0.010 175.995 175.900 0.175 0.000 0.992 102 Y CA -1.316 56.877 58.100 0.155 0.000 1.121 102 Y CB 1.250 39.850 38.460 0.233 0.000 1.184 102 Y HN -0.059 nan 8.280 nan 0.000 0.469 103 N N 2.086 120.949 118.700 0.273 0.000 2.381 103 N HA 0.331 5.075 4.740 0.007 0.000 0.294 103 N C -0.868 174.735 175.510 0.156 0.000 1.216 103 N CA -1.099 52.071 53.050 0.199 0.000 0.803 103 N CB 1.610 40.206 38.487 0.182 0.000 1.372 103 N HN 0.509 nan 8.380 nan 0.000 0.500 104 K N 0.345 120.788 120.400 0.072 0.000 2.455 104 K HA -0.056 4.268 4.320 0.007 0.000 0.269 104 K C -0.306 176.430 176.600 0.226 0.000 0.972 104 K CA 0.292 56.672 56.287 0.155 0.000 0.938 104 K CB 0.360 32.832 32.500 -0.047 0.000 0.931 104 K HN 0.430 nan 8.250 nan 0.000 0.507 105 D N 1.129 121.728 120.400 0.332 0.000 2.428 105 D HA 0.023 4.667 4.640 0.007 0.000 0.221 105 D C 0.865 177.293 176.300 0.213 0.000 1.123 105 D CA -0.184 53.942 54.000 0.210 0.000 0.869 105 D CB 0.833 41.718 40.800 0.141 0.000 1.032 105 D HN 0.489 nan 8.370 nan 0.000 0.506 106 S N 3.716 119.516 115.700 0.167 0.000 2.420 106 S HA -0.280 4.194 4.470 0.007 0.000 0.237 106 S C 1.617 176.264 174.600 0.078 0.000 1.023 106 S CA 0.932 59.222 58.200 0.149 0.000 0.991 106 S CB -0.056 63.207 63.200 0.105 0.000 0.792 106 S HN 0.342 nan 8.310 nan 0.000 0.488 107 K N 1.095 121.509 120.400 0.023 0.000 2.063 107 K HA 0.096 4.420 4.320 0.007 0.000 0.208 107 K C 2.251 178.771 176.600 -0.133 0.000 1.048 107 K CA 1.572 57.837 56.287 -0.037 0.000 0.928 107 K CB -0.393 32.084 32.500 -0.038 0.000 0.713 107 K HN 0.331 nan 8.250 nan 0.000 0.442 108 M N -0.832 118.605 119.600 -0.272 0.000 2.200 108 M HA -0.051 4.433 4.480 0.007 0.000 0.265 108 M C 1.600 177.578 176.300 -0.537 0.000 1.066 108 M CA 1.613 56.567 55.300 -0.576 0.000 1.127 108 M CB -0.673 31.212 32.600 -1.192 0.000 1.379 108 M HN 0.108 nan 8.290 nan 0.000 0.420 109 Y N -0.171 120.054 120.300 -0.124 0.000 2.544 109 Y HA 0.097 4.650 4.550 0.005 0.000 0.286 109 Y C 2.335 178.203 175.900 -0.054 0.000 1.141 109 Y CA 0.375 58.427 58.100 -0.080 0.000 1.299 109 Y CB -0.513 37.926 38.460 -0.035 0.000 1.030 109 Y HN 0.187 nan 8.280 nan 0.000 0.543 110 R N 0.125 120.655 120.500 0.051 0.000 2.120 110 R HA -0.112 4.232 4.340 0.007 0.000 0.234 110 R C 2.051 178.347 176.300 -0.006 0.000 1.123 110 R CA 1.021 57.140 56.100 0.032 0.000 0.975 110 R CB -0.386 29.927 30.300 0.022 0.000 0.866 110 R HN 0.243 nan 8.270 nan 0.000 0.446 111 A N 0.291 123.072 122.820 -0.065 0.000 2.258 111 A HA -0.029 4.295 4.320 0.007 0.000 0.206 111 A C 1.564 179.096 177.584 -0.087 0.000 1.222 111 A CA 0.683 52.657 52.037 -0.105 0.000 0.822 111 A CB 0.015 18.913 19.000 -0.170 0.000 0.804 111 A HN 0.239 nan 8.150 nan 0.000 0.483 112 L N -2.602 118.626 121.223 0.008 0.000 2.885 112 L HA 0.200 4.544 4.340 0.007 0.000 0.251 112 L C 1.935 178.923 176.870 0.196 0.000 1.071 112 L CA 1.148 56.069 54.840 0.135 0.000 0.956 112 L CB -0.340 41.832 42.059 0.188 0.000 1.483 112 L HN 0.422 nan 8.230 nan 0.000 0.525 113 Q N -0.278 119.601 119.800 0.132 0.000 2.077 113 Q HA -0.127 4.217 4.340 0.007 0.000 0.206 113 Q C 0.182 176.202 176.000 0.033 0.000 0.989 113 Q CA 1.858 57.726 55.803 0.107 0.000 0.853 113 Q CB 0.118 28.906 28.738 0.083 0.000 0.907 113 Q HN 0.380 nan 8.270 nan 0.000 0.418 114 T N -1.139 113.410 114.554 -0.009 0.000 2.900 114 T HA 0.559 4.913 4.350 0.007 0.000 0.303 114 T C -1.892 172.749 174.700 -0.098 0.000 1.142 114 T CA -0.789 61.281 62.100 -0.050 0.000 1.007 114 T CB 1.938 70.794 68.868 -0.020 0.000 1.156 114 T HN -0.063 nan 8.240 nan 0.000 0.490 115 V N 5.296 125.136 119.914 -0.125 0.000 2.569 115 V HA 0.456 4.580 4.120 0.007 0.000 0.301 115 V C -0.486 175.542 176.094 -0.109 0.000 1.044 115 V CA -0.699 61.462 62.300 -0.233 0.000 0.874 115 V CB 1.097 32.751 31.823 -0.282 0.000 1.002 115 V HN 1.052 nan 8.190 nan 0.000 0.424 116 F N 3.982 123.927 119.950 -0.009 0.000 3.097 116 F HA -0.226 4.306 4.527 0.007 0.000 0.278 116 F C 1.582 177.376 175.800 -0.009 0.000 0.917 116 F CA 1.835 59.832 58.000 -0.006 0.000 0.962 116 F CB -1.650 37.347 39.000 -0.004 0.000 0.964 116 F HN 1.033 nan 8.300 nan 0.000 0.668 117 G N -1.967 106.914 108.800 0.134 0.000 2.279 117 G HA2 -0.239 3.725 3.960 0.007 0.000 0.223 117 G HA3 -0.239 3.725 3.960 0.007 0.000 0.223 117 G C 0.035 174.960 174.900 0.043 0.000 1.015 117 G CA -0.025 45.123 45.100 0.079 0.000 0.621 117 G HN 0.337 nan 8.290 nan 0.000 0.506 118 E N 1.913 122.137 120.200 0.040 0.000 2.146 118 E HA 0.368 4.722 4.350 0.007 0.000 0.282 118 E C 0.838 177.418 176.600 -0.034 0.000 0.989 118 E CA -0.608 55.794 56.400 0.003 0.000 0.799 118 E CB 0.963 30.668 29.700 0.008 0.000 1.088 118 E HN 0.787 nan 8.360 nan 0.000 0.397 119 R N 2.194 122.672 120.500 -0.037 0.000 2.543 119 R HA 0.195 4.539 4.340 0.007 0.000 0.277 119 R C 0.115 176.349 176.300 -0.109 0.000 1.074 119 R CA -0.379 55.689 56.100 -0.054 0.000 1.076 119 R CB 0.681 30.967 30.300 -0.023 0.000 0.993 119 R HN 0.359 nan 8.270 nan 0.000 0.459 120 L N 2.194 123.311 121.223 -0.176 0.000 3.087 120 L HA 0.326 4.670 4.340 0.007 0.000 0.169 120 L C 1.194 177.837 176.870 -0.378 0.000 1.276 120 L CA 0.629 55.231 54.840 -0.398 0.000 0.865 120 L CB -0.208 41.462 42.059 -0.648 0.000 1.368 120 L HN 0.752 nan 8.230 nan 0.000 0.548 121 F N 0.278 120.251 119.950 0.039 0.000 2.754 121 F HA 0.416 4.947 4.527 0.007 0.000 0.297 121 F C 1.806 177.639 175.800 0.055 0.000 1.122 121 F CA 0.371 58.402 58.000 0.052 0.000 1.400 121 F CB -0.397 38.624 39.000 0.035 0.000 1.117 121 F HN 0.381 nan 8.300 nan 0.000 0.587 122 G N 0.652 109.545 108.800 0.154 0.000 2.629 122 G HA2 -0.329 3.635 3.960 0.007 0.000 0.313 122 G HA3 -0.329 3.635 3.960 0.007 0.000 0.313 122 G C 0.536 175.511 174.900 0.126 0.000 1.217 122 G CA 0.403 45.572 45.100 0.114 0.000 0.994 122 G HN 0.260 nan 8.290 nan 0.000 0.549 123 Q N 2.057 121.928 119.800 0.118 0.000 2.241 123 Q HA 0.401 4.745 4.340 0.007 0.000 0.296 123 Q C 1.185 177.262 176.000 0.128 0.000 0.889 123 Q CA 0.562 56.432 55.803 0.111 0.000 1.089 123 Q CB 0.299 29.094 28.738 0.096 0.000 1.195 123 Q HN 0.877 nan 8.270 nan 0.000 0.451 124 G N 0.628 109.520 108.800 0.153 0.000 2.647 124 G HA2 0.050 4.014 3.960 0.007 0.000 0.271 124 G HA3 0.050 4.014 3.960 0.007 0.000 0.271 124 G C 0.847 175.823 174.900 0.128 0.000 1.300 124 G CA -0.458 44.741 45.100 0.166 0.000 0.997 124 G HN 0.379 nan 8.290 nan 0.000 0.533 125 L N -0.444 120.855 121.223 0.126 0.000 2.275 125 L HA 0.010 4.354 4.340 0.007 0.000 0.215 125 L C 2.482 179.392 176.870 0.067 0.000 1.119 125 L CA 1.365 56.286 54.840 0.135 0.000 0.790 125 L CB 0.013 42.158 42.059 0.142 0.000 0.919 125 L HN 0.242 nan 8.230 nan 0.000 0.443 126 V N -2.496 117.363 119.914 -0.091 0.000 2.672 126 V HA -0.014 4.110 4.120 0.007 0.000 0.242 126 V C 2.304 178.238 176.094 -0.267 0.000 1.059 126 V CA 1.245 63.412 62.300 -0.221 0.000 1.081 126 V CB -0.007 31.624 31.823 -0.319 0.000 0.752 126 V HN 0.337 nan 8.190 nan 0.000 0.472 127 S N -0.266 115.359 115.700 -0.124 0.000 2.382 127 S HA -0.122 4.352 4.470 0.007 0.000 0.228 127 S C 1.051 175.606 174.600 -0.075 0.000 1.027 127 S CA 0.836 59.001 58.200 -0.058 0.000 0.991 127 S CB -0.222 63.034 63.200 0.093 0.000 0.823 127 S HN 0.624 nan 8.310 nan 0.000 0.469 128 E N 0.565 120.760 120.200 -0.007 0.000 2.351 128 E HA 0.076 4.430 4.350 0.007 0.000 0.266 128 E C 0.180 176.772 176.600 -0.013 0.000 1.031 128 E CA -0.030 56.401 56.400 0.052 0.000 0.911 128 E CB 0.189 29.983 29.700 0.158 0.000 0.986 128 E HN 0.212 nan 8.360 nan 0.000 0.446 129 C N 4.118 123.426 119.300 0.012 0.000 2.609 129 C HA 0.185 4.649 4.460 0.007 0.000 0.305 129 C C 1.068 176.102 174.990 0.072 0.000 1.319 129 C CA -0.422 58.594 59.018 -0.004 0.000 1.793 129 C CB -0.780 26.988 27.740 0.046 0.000 2.260 129 C HN 0.779 nan 8.230 nan 0.000 0.535 130 N N 0.869 119.642 118.700 0.120 0.000 2.440 130 N HA -0.104 4.640 4.740 0.007 0.000 0.265 130 N C 0.615 176.275 175.510 0.251 0.000 1.239 130 N CA 0.227 53.378 53.050 0.168 0.000 0.909 130 N CB 0.305 38.880 38.487 0.146 0.000 1.066 130 N HN 0.545 nan 8.380 nan 0.000 0.474 131 Y N 4.162 124.556 120.300 0.157 0.000 2.151 131 Y HA -0.262 4.296 4.550 0.014 0.000 0.284 131 Y C 2.084 178.186 175.900 0.336 0.000 1.166 131 Y CA 2.133 60.379 58.100 0.242 0.000 1.163 131 Y CB 0.117 38.656 38.460 0.131 0.000 0.974 131 Y HN 0.708 nan 8.280 nan 0.000 0.511 132 E N 0.113 120.524 120.200 0.353 0.000 2.076 132 E HA -0.084 4.270 4.350 0.007 0.000 0.190 132 E C 2.267 178.949 176.600 0.135 0.000 0.979 132 E CA 1.240 57.780 56.400 0.234 0.000 0.807 132 E CB -0.190 29.636 29.700 0.210 0.000 0.761 132 E HN 0.408 nan 8.360 nan 0.000 0.454 133 R N -0.927 119.661 120.500 0.146 0.000 2.120 133 R HA -0.146 4.198 4.340 0.007 0.000 0.234 133 R C 2.034 178.399 176.300 0.109 0.000 1.123 133 R CA 1.444 57.611 56.100 0.111 0.000 0.975 133 R CB -0.477 29.892 30.300 0.115 0.000 0.866 133 R HN 0.334 nan 8.270 nan 0.000 0.446 134 W N 0.748 122.029 121.300 -0.032 0.000 2.409 134 W HA -0.169 4.496 4.660 0.007 0.000 0.299 134 W C 2.248 178.711 176.519 -0.094 0.000 1.203 134 W CA 1.394 58.698 57.345 -0.068 0.000 1.298 134 W CB -0.384 29.021 29.460 -0.091 0.000 1.127 134 W HN 0.108 nan 8.180 nan 0.000 0.528 135 H N 1.153 119.946 119.070 -0.461 0.000 2.457 135 H HA -0.133 4.428 4.556 0.007 0.000 0.294 135 H C 2.070 177.104 175.328 -0.490 0.000 1.064 135 H CA 1.952 57.555 56.048 -0.742 0.000 1.330 135 H CB -0.204 29.280 29.762 -0.463 0.000 1.395 135 H HN 0.249 nan 8.280 nan 0.000 0.541 136 K N 0.700 121.019 120.400 -0.134 0.000 2.002 136 K HA -0.176 4.148 4.320 0.007 0.000 0.209 136 K C 2.226 178.712 176.600 -0.191 0.000 1.048 136 K CA 1.667 57.899 56.287 -0.091 0.000 0.930 136 K CB 0.047 32.531 32.500 -0.027 0.000 0.714 136 K HN 0.416 nan 8.250 nan 0.000 0.438 137 Q N -0.022 119.637 119.800 -0.236 0.000 2.030 137 Q HA -0.221 4.123 4.340 0.007 0.000 0.204 137 Q C 2.308 178.129 176.000 -0.299 0.000 0.986 137 Q CA 1.751 57.432 55.803 -0.203 0.000 0.843 137 Q CB -0.237 28.411 28.738 -0.150 0.000 0.904 137 Q HN 0.183 nan 8.270 nan 0.000 0.420 138 R N 1.381 121.516 120.500 -0.607 0.000 2.083 138 R HA -0.151 4.193 4.340 0.007 0.000 0.237 138 R C 2.097 178.138 176.300 -0.432 0.000 1.137 138 R CA 1.855 57.578 56.100 -0.629 0.000 0.951 138 R CB -0.368 29.169 30.300 -1.273 0.000 0.851 138 R HN 0.151 nan 8.270 nan 0.000 0.434 139 R N 0.017 120.217 120.500 -0.501 0.000 2.139 139 R HA -0.132 4.212 4.340 0.007 0.000 0.243 139 R C 1.935 178.140 176.300 -0.158 0.000 1.145 139 R CA 2.033 57.938 56.100 -0.324 0.000 0.976 139 R CB -0.247 29.891 30.300 -0.270 0.000 0.866 139 R HN 0.346 nan 8.270 nan 0.000 0.449 140 V N -2.385 117.451 119.914 -0.130 0.000 2.575 140 V HA 0.039 4.163 4.120 0.007 0.000 0.242 140 V C 2.083 178.153 176.094 -0.041 0.000 1.045 140 V CA 0.840 63.099 62.300 -0.070 0.000 1.065 140 V CB -0.394 31.395 31.823 -0.056 0.000 0.717 140 V HN 0.197 nan 8.190 nan 0.000 0.467 141 I N 1.144 121.695 120.570 -0.032 0.000 2.423 141 I HA -0.196 3.977 4.170 0.007 0.000 0.254 141 I C 2.377 178.598 176.117 0.173 0.000 1.151 141 I CA 1.885 63.213 61.300 0.047 0.000 1.421 141 I CB -0.728 37.335 38.000 0.106 0.000 1.079 141 I HN 0.331 nan 8.210 nan 0.000 0.431 142 D N 1.142 121.599 120.400 0.095 0.000 2.203 142 D HA -0.189 4.455 4.640 0.007 0.000 0.199 142 D C 2.289 178.689 176.300 0.165 0.000 0.997 142 D CA 1.358 55.442 54.000 0.139 0.000 0.863 142 D CB -0.113 40.693 40.800 0.010 0.000 0.928 142 D HN 0.393 nan 8.370 nan 0.000 0.458 143 L N 0.656 121.918 121.223 0.065 0.000 2.056 143 L HA -0.112 4.232 4.340 0.007 0.000 0.207 143 L C 2.533 179.390 176.870 -0.022 0.000 1.078 143 L CA 0.960 55.809 54.840 0.014 0.000 0.749 143 L CB -0.450 41.595 42.059 -0.022 0.000 0.901 143 L HN -0.064 nan 8.230 nan 0.000 0.433 144 A N -0.645 122.122 122.820 -0.088 0.000 2.225 144 A HA -0.112 4.212 4.320 0.007 0.000 0.215 144 A C 1.371 178.676 177.584 -0.464 0.000 1.164 144 A CA 1.192 53.043 52.037 -0.310 0.000 0.710 144 A CB -0.642 18.072 19.000 -0.477 0.000 0.780 144 A HN 0.440 nan 8.150 nan 0.000 0.473 145 F N 0.059 120.018 119.950 0.014 0.000 2.735 145 F HA 0.167 4.699 4.527 0.008 0.000 0.304 145 F C 1.222 177.043 175.800 0.035 0.000 1.119 145 F CA 0.015 58.051 58.000 0.059 0.000 1.280 145 F CB 0.112 39.162 39.000 0.084 0.000 0.994 145 F HN 0.150 nan 8.300 nan 0.000 0.520 146 S N -0.430 115.335 115.700 0.109 0.000 2.600 146 S HA 0.190 4.664 4.470 0.007 0.000 0.265 146 S C 1.540 176.156 174.600 0.028 0.000 1.325 146 S CA -0.669 57.567 58.200 0.060 0.000 1.002 146 S CB 1.329 64.535 63.200 0.010 0.000 0.921 146 S HN 0.316 nan 8.310 nan 0.000 0.554 147 R N 1.751 122.256 120.500 0.008 0.000 2.134 147 R HA -0.184 4.160 4.340 0.007 0.000 0.248 147 R C 2.410 178.630 176.300 -0.134 0.000 1.143 147 R CA 2.640 58.712 56.100 -0.046 0.000 0.957 147 R CB -1.573 28.692 30.300 -0.058 0.000 0.867 147 R HN 0.905 nan 8.270 nan 0.000 0.441 148 S N -1.031 114.598 115.700 -0.118 0.000 2.368 148 S HA -0.104 4.370 4.470 0.007 0.000 0.225 148 S C 2.141 176.653 174.600 -0.147 0.000 1.030 148 S CA 1.313 59.426 58.200 -0.146 0.000 0.999 148 S CB -0.539 62.594 63.200 -0.110 0.000 0.844 148 S HN 0.357 nan 8.310 nan 0.000 0.459 149 S N 2.512 118.143 115.700 -0.115 0.000 2.359 149 S HA 0.048 4.522 4.470 0.007 0.000 0.224 149 S C 1.880 176.390 174.600 -0.149 0.000 1.035 149 S CA 1.572 59.693 58.200 -0.132 0.000 1.018 149 S CB -0.700 62.422 63.200 -0.132 0.000 0.876 149 S HN 0.468 nan 8.310 nan 0.000 0.448 150 L N 1.124 122.291 121.223 -0.094 0.000 2.046 150 L HA -0.087 4.257 4.340 0.007 0.000 0.208 150 L C 2.353 179.131 176.870 -0.153 0.000 1.077 150 L CA 0.917 55.712 54.840 -0.076 0.000 0.747 150 L CB -0.840 41.275 42.059 0.094 0.000 0.896 150 L HN 0.198 nan 8.230 nan 0.000 0.432 151 V N 0.067 119.849 119.914 -0.220 0.000 2.469 151 V HA -0.253 3.871 4.120 0.007 0.000 0.251 151 V C 2.537 178.494 176.094 -0.228 0.000 1.064 151 V CA 2.008 64.123 62.300 -0.307 0.000 1.066 151 V CB -0.625 30.872 31.823 -0.542 0.000 0.667 151 V HN 0.635 nan 8.190 nan 0.000 0.461 152 S N -0.720 114.844 115.700 -0.226 0.000 2.607 152 S HA 0.089 4.563 4.470 0.007 0.000 0.224 152 S C 1.620 176.050 174.600 -0.283 0.000 0.969 152 S CA 0.649 58.722 58.200 -0.212 0.000 0.927 152 S CB -0.389 62.706 63.200 -0.175 0.000 0.772 152 S HN 0.560 nan 8.310 nan 0.000 0.533 153 L N 0.146 121.123 121.223 -0.410 0.000 2.375 153 L HA 0.167 4.511 4.340 0.007 0.000 0.215 153 L C 2.370 178.716 176.870 -0.874 0.000 1.108 153 L CA 0.211 54.626 54.840 -0.707 0.000 0.830 153 L CB -0.477 40.963 42.059 -1.033 0.000 0.959 153 L HN 0.271 nan 8.230 nan 0.000 0.457 154 M N -0.068 119.202 119.600 -0.549 0.000 2.255 154 M HA -0.252 4.232 4.480 0.007 0.000 0.259 154 M C 2.099 178.220 176.300 -0.298 0.000 1.071 154 M CA 1.561 56.658 55.300 -0.338 0.000 1.074 154 M CB -0.874 31.668 32.600 -0.098 0.000 1.384 154 M HN 0.220 nan 8.290 nan 0.000 0.415 155 E N 0.201 120.227 120.200 -0.289 0.000 2.072 155 E HA -0.091 4.263 4.350 0.007 0.000 0.190 155 E C 1.801 178.256 176.600 -0.240 0.000 0.982 155 E CA 1.914 58.164 56.400 -0.250 0.000 0.803 155 E CB -0.182 29.419 29.700 -0.165 0.000 0.755 155 E HN 0.414 nan 8.360 nan 0.000 0.453 156 T N 0.705 115.115 114.554 -0.240 0.000 2.674 156 T HA -0.112 4.242 4.350 0.007 0.000 0.265 156 T C 1.403 176.124 174.700 0.036 0.000 1.039 156 T CA 1.419 63.448 62.100 -0.118 0.000 1.150 156 T CB -0.440 68.356 68.868 -0.120 0.000 0.864 156 T HN 0.109 nan 8.240 nan 0.000 0.427 157 F N 2.412 122.276 119.950 -0.144 0.000 2.095 157 F HA -0.086 4.445 4.527 0.006 0.000 0.298 157 F C 2.434 178.144 175.800 -0.150 0.000 1.104 157 F CA 0.180 58.104 58.000 -0.127 0.000 1.232 157 F CB -1.432 37.485 39.000 -0.137 0.000 0.987 157 F HN 0.180 nan 8.300 nan 0.000 0.475 158 N N 0.388 119.039 118.700 -0.081 0.000 2.043 158 N HA -0.226 4.518 4.740 0.007 0.000 0.193 158 N C 1.999 177.328 175.510 -0.301 0.000 1.037 158 N CA 1.461 54.298 53.050 -0.355 0.000 0.851 158 N CB -0.599 37.311 38.487 -0.961 0.000 1.027 158 N HN 0.456 nan 8.380 nan 0.000 0.422 159 E N 1.058 121.099 120.200 -0.266 0.000 2.049 159 E HA -0.205 4.149 4.350 0.007 0.000 0.198 159 E C 1.450 178.078 176.600 0.046 0.000 1.007 159 E CA 1.242 57.613 56.400 -0.049 0.000 0.809 159 E CB 0.192 29.882 29.700 -0.016 0.000 0.749 159 E HN 0.114 nan 8.360 nan 0.000 0.450 160 K N 0.120 120.552 120.400 0.053 0.000 2.097 160 K HA -0.065 4.258 4.320 0.007 0.000 0.205 160 K C 2.020 178.671 176.600 0.086 0.000 1.050 160 K CA 1.094 57.431 56.287 0.083 0.000 0.938 160 K CB -0.533 32.030 32.500 0.104 0.000 0.718 160 K HN 0.225 nan 8.250 nan 0.000 0.442 161 A N 1.383 124.249 122.820 0.077 0.000 1.930 161 A HA -0.177 4.147 4.320 0.007 0.000 0.217 161 A C 2.202 179.850 177.584 0.106 0.000 1.175 161 A CA 1.795 53.880 52.037 0.080 0.000 0.627 161 A CB -0.312 18.727 19.000 0.066 0.000 0.815 161 A HN 0.326 nan 8.150 nan 0.000 0.443 162 E N 0.010 120.292 120.200 0.136 0.000 2.106 162 E HA -0.212 4.142 4.350 0.007 0.000 0.192 162 E C 2.102 178.776 176.600 0.125 0.000 0.984 162 E CA 1.693 58.194 56.400 0.169 0.000 0.806 162 E CB -0.357 29.519 29.700 0.294 0.000 0.750 162 E HN 0.705 nan 8.360 nan 0.000 0.458 163 Q N -0.414 119.454 119.800 0.113 0.000 2.084 163 Q HA -0.155 4.189 4.340 0.007 0.000 0.202 163 Q C 2.184 178.236 176.000 0.087 0.000 0.978 163 Q CA 1.504 57.362 55.803 0.092 0.000 0.844 163 Q CB -0.243 28.547 28.738 0.086 0.000 0.898 163 Q HN 0.396 nan 8.270 nan 0.000 0.426 164 L N 0.180 121.460 121.223 0.094 0.000 2.012 164 L HA -0.173 4.171 4.340 0.007 0.000 0.210 164 L C 2.153 179.080 176.870 0.095 0.000 1.073 164 L CA 1.672 56.571 54.840 0.098 0.000 0.748 164 L CB -0.733 41.386 42.059 0.100 0.000 0.891 164 L HN 0.121 nan 8.230 nan 0.000 0.431 165 V N -0.100 119.871 119.914 0.095 0.000 2.407 165 V HA -0.276 3.848 4.120 0.007 0.000 0.248 165 V C 2.521 178.651 176.094 0.059 0.000 1.055 165 V CA 2.039 64.390 62.300 0.085 0.000 1.049 165 V CB -0.750 31.126 31.823 0.088 0.000 0.662 165 V HN 0.527 nan 8.190 nan 0.000 0.455 166 E N -0.043 120.193 120.200 0.061 0.000 2.031 166 E HA -0.190 4.164 4.350 0.007 0.000 0.193 166 E C 2.296 178.918 176.600 0.038 0.000 0.994 166 E CA 1.424 57.850 56.400 0.044 0.000 0.800 166 E CB -0.184 29.544 29.700 0.046 0.000 0.752 166 E HN 0.397 nan 8.360 nan 0.000 0.447 167 I N 1.318 121.917 120.570 0.049 0.000 2.151 167 I HA -0.293 3.881 4.170 0.007 0.000 0.243 167 I C 2.480 178.620 176.117 0.038 0.000 1.080 167 I CA 1.502 62.829 61.300 0.046 0.000 1.339 167 I CB -1.177 36.861 38.000 0.062 0.000 1.039 167 I HN 0.185 nan 8.210 nan 0.000 0.409 168 L N 0.156 121.405 121.223 0.044 0.000 2.083 168 L HA -0.190 4.153 4.340 0.007 0.000 0.209 168 L C 2.484 179.342 176.870 -0.020 0.000 1.083 168 L CA 1.250 56.103 54.840 0.022 0.000 0.752 168 L CB -0.646 41.440 42.059 0.044 0.000 0.899 168 L HN 0.291 nan 8.230 nan 0.000 0.433 169 E N 0.399 120.590 120.200 -0.015 0.000 2.153 169 E HA -0.215 4.139 4.350 0.007 0.000 0.194 169 E C 2.262 178.849 176.600 -0.022 0.000 0.988 169 E CA 1.070 57.452 56.400 -0.029 0.000 0.811 169 E CB -0.177 29.514 29.700 -0.014 0.000 0.746 169 E HN 0.508 nan 8.360 nan 0.000 0.466 170 A N 1.324 124.140 122.820 -0.006 0.000 2.070 170 A HA -0.170 4.154 4.320 0.007 0.000 0.220 170 A C 1.728 179.307 177.584 -0.008 0.000 1.159 170 A CA 1.180 53.215 52.037 -0.004 0.000 0.656 170 A CB -0.087 18.917 19.000 0.006 0.000 0.800 170 A HN 0.047 nan 8.150 nan 0.000 0.453 171 K N -0.667 119.725 120.400 -0.014 0.000 2.358 171 K HA 0.320 4.644 4.320 0.007 0.000 0.200 171 K C 0.452 177.031 176.600 -0.035 0.000 1.030 171 K CA 0.405 56.682 56.287 -0.016 0.000 1.097 171 K CB 0.500 32.998 32.500 -0.004 0.000 0.862 171 K HN 0.294 nan 8.250 nan 0.000 0.534 172 A N 2.539 125.328 122.820 -0.051 0.000 3.118 172 A HA 0.055 4.379 4.320 0.007 0.000 0.256 172 A C -0.004 177.545 177.584 -0.058 0.000 1.667 172 A CA -0.240 51.751 52.037 -0.077 0.000 1.338 172 A CB -0.600 18.337 19.000 -0.105 0.000 1.127 172 A HN 0.298 nan 8.150 nan 0.000 0.634 173 D N -1.371 119.003 120.400 -0.043 0.000 2.398 173 D HA 0.304 4.948 4.640 0.007 0.000 0.210 173 D C 1.071 177.353 176.300 -0.030 0.000 1.094 173 D CA 0.598 54.579 54.000 -0.031 0.000 0.839 173 D CB 0.064 40.851 40.800 -0.021 0.000 0.963 173 D HN 0.694 nan 8.370 nan 0.000 0.506 174 G N 0.047 108.824 108.800 -0.038 0.000 2.157 174 G HA2 -0.337 3.627 3.960 0.007 0.000 0.248 174 G HA3 -0.337 3.627 3.960 0.007 0.000 0.248 174 G C 0.805 175.694 174.900 -0.020 0.000 0.979 174 G CA 0.563 45.644 45.100 -0.031 0.000 0.650 174 G HN 0.445 nan 8.290 nan 0.000 0.529 175 Q N -1.321 118.468 119.800 -0.018 0.000 2.427 175 Q HA 0.122 4.465 4.340 0.007 0.000 0.249 175 Q C 0.456 176.451 176.000 -0.008 0.000 0.783 175 Q CA 0.439 56.236 55.803 -0.010 0.000 0.978 175 Q CB 0.671 29.404 28.738 -0.008 0.000 1.273 175 Q HN 0.351 nan 8.270 nan 0.000 0.524 176 T N 5.257 119.805 114.554 -0.010 0.000 2.829 176 T HA 0.131 4.485 4.350 0.007 0.000 0.293 176 T C -2.311 172.387 174.700 -0.003 0.000 0.970 176 T CA -0.458 61.639 62.100 -0.005 0.000 1.168 176 T CB 0.613 69.477 68.868 -0.006 0.000 0.911 176 T HN 0.080 nan 8.240 nan 0.000 0.535 177 P HA 0.528 nan 4.420 nan 0.000 0.284 177 P C -1.275 176.034 177.300 0.014 0.000 1.258 177 P CA -0.595 62.508 63.100 0.005 0.000 0.824 177 P CB 1.306 33.007 31.700 0.001 0.000 1.038 178 V N 1.016 120.943 119.914 0.022 0.000 2.733 178 V HA 0.203 4.327 4.120 0.007 0.000 0.306 178 V C 0.401 176.512 176.094 0.027 0.000 1.084 178 V CA -0.677 61.644 62.300 0.035 0.000 0.905 178 V CB 1.802 33.658 31.823 0.055 0.000 1.010 178 V HN 0.659 nan 8.190 nan 0.000 0.424 179 S N 5.397 121.107 115.700 0.017 0.000 2.503 179 S HA 0.139 4.613 4.470 0.007 0.000 0.317 179 S C 1.424 176.010 174.600 -0.023 0.000 1.162 179 S CA -0.560 57.630 58.200 -0.016 0.000 1.124 179 S CB -0.052 63.133 63.200 -0.025 0.000 1.207 179 S HN 0.575 nan 8.310 nan 0.000 0.538 180 M N 3.455 123.038 119.600 -0.029 0.000 2.213 180 M HA -0.112 4.372 4.480 0.007 0.000 0.263 180 M C 2.102 178.335 176.300 -0.113 0.000 1.062 180 M CA 1.372 56.645 55.300 -0.045 0.000 1.105 180 M CB -1.449 31.106 32.600 -0.075 0.000 1.385 180 M HN 0.777 nan 8.290 nan 0.000 0.417 181 Q N 1.124 120.837 119.800 -0.145 0.000 2.061 181 Q HA -0.181 4.163 4.340 0.007 0.000 0.204 181 Q C 1.465 177.340 176.000 -0.209 0.000 0.984 181 Q CA 2.032 57.724 55.803 -0.185 0.000 0.846 181 Q CB -0.069 28.558 28.738 -0.186 0.000 0.902 181 Q HN 0.440 nan 8.270 nan 0.000 0.421 182 D N -0.664 119.612 120.400 -0.206 0.000 2.097 182 D HA -0.143 4.501 4.640 0.007 0.000 0.197 182 D C 1.871 177.885 176.300 -0.477 0.000 0.984 182 D CA 1.208 54.977 54.000 -0.385 0.000 0.826 182 D CB -0.149 40.529 40.800 -0.203 0.000 0.973 182 D HN 0.327 nan 8.370 nan 0.000 0.460 183 M N 0.473 119.994 119.600 -0.132 0.000 2.080 183 M HA -0.116 4.367 4.480 0.007 0.000 0.260 183 M C 2.534 178.823 176.300 -0.019 0.000 1.068 183 M CA 1.017 56.332 55.300 0.025 0.000 1.109 183 M CB -1.030 31.621 32.600 0.084 0.000 1.342 183 M HN 0.055 nan 8.290 nan 0.000 0.405 184 L N -0.843 120.332 121.223 -0.080 0.000 2.093 184 L HA -0.177 4.166 4.340 0.007 0.000 0.208 184 L C 2.444 179.274 176.870 -0.066 0.000 1.085 184 L CA 1.158 55.957 54.840 -0.069 0.000 0.755 184 L CB -1.088 40.907 42.059 -0.108 0.000 0.904 184 L HN 0.316 nan 8.230 nan 0.000 0.435 185 T N -1.192 113.270 114.554 -0.155 0.000 2.746 185 T HA -0.182 4.172 4.350 0.007 0.000 0.267 185 T C 1.738 176.427 174.700 -0.018 0.000 1.039 185 T CA 1.391 63.426 62.100 -0.108 0.000 1.142 185 T CB -0.313 68.424 68.868 -0.219 0.000 0.866 185 T HN 0.182 nan 8.240 nan 0.000 0.444 186 Y N 1.947 122.290 120.300 0.072 0.000 2.181 186 Y HA -0.092 4.462 4.550 0.007 0.000 0.288 186 Y C 2.975 178.913 175.900 0.064 0.000 1.146 186 Y CA 0.499 58.638 58.100 0.065 0.000 1.164 186 Y CB -1.647 36.849 38.460 0.061 0.000 0.982 186 Y HN 0.174 nan 8.280 nan 0.000 0.515 187 T N 0.158 114.832 114.554 0.200 0.000 2.684 187 T HA -0.242 4.112 4.350 0.007 0.000 0.267 187 T C 2.273 177.047 174.700 0.124 0.000 1.036 187 T CA 1.652 63.836 62.100 0.140 0.000 1.148 187 T CB -0.742 68.183 68.868 0.094 0.000 0.863 187 T HN 0.435 nan 8.240 nan 0.000 0.436 188 A N 0.960 123.848 122.820 0.114 0.000 1.933 188 A HA -0.023 4.301 4.320 0.007 0.000 0.218 188 A C 2.316 179.990 177.584 0.150 0.000 1.175 188 A CA 1.693 53.811 52.037 0.135 0.000 0.628 188 A CB -0.681 18.403 19.000 0.140 0.000 0.814 188 A HN 0.497 nan 8.150 nan 0.000 0.444 189 M N -0.624 119.031 119.600 0.093 0.000 2.099 189 M HA -0.144 4.339 4.480 0.007 0.000 0.262 189 M C 1.393 177.726 176.300 0.054 0.000 1.067 189 M CA 1.998 57.236 55.300 -0.102 0.000 1.124 189 M CB -0.262 32.191 32.600 -0.245 0.000 1.353 189 M HN 0.328 nan 8.290 nan 0.000 0.410 190 D N 0.691 121.167 120.400 0.126 0.000 2.116 190 D HA -0.195 4.449 4.640 0.007 0.000 0.193 190 D C 1.867 178.263 176.300 0.160 0.000 0.998 190 D CA 1.617 55.705 54.000 0.147 0.000 0.836 190 D CB -0.509 40.372 40.800 0.135 0.000 0.951 190 D HN 0.443 nan 8.370 nan 0.000 0.449 191 I N 0.613 121.288 120.570 0.174 0.000 2.127 191 I HA -0.224 3.950 4.170 0.007 0.000 0.241 191 I C 2.476 178.768 176.117 0.292 0.000 1.075 191 I CA 0.617 62.060 61.300 0.238 0.000 1.334 191 I CB -0.171 37.976 38.000 0.244 0.000 1.040 191 I HN 0.090 nan 8.210 nan 0.000 0.405 192 L N 1.244 122.626 121.223 0.264 0.000 1.994 192 L HA -0.198 4.146 4.340 0.007 0.000 0.208 192 L C 2.762 179.799 176.870 0.279 0.000 1.071 192 L CA 2.454 57.454 54.840 0.267 0.000 0.745 192 L CB -1.167 40.977 42.059 0.141 0.000 0.892 192 L HN 0.256 nan 8.230 nan 0.000 0.431 193 A N -0.111 122.895 122.820 0.309 0.000 1.948 193 A HA -0.263 4.061 4.320 0.007 0.000 0.220 193 A C 2.370 180.131 177.584 0.294 0.000 1.177 193 A CA 2.067 54.399 52.037 0.491 0.000 0.636 193 A CB -0.516 18.771 19.000 0.478 0.000 0.815 193 A HN 0.410 nan 8.150 nan 0.000 0.449 194 K N -0.369 120.134 120.400 0.171 0.000 2.044 194 K HA 0.128 4.452 4.320 0.007 0.000 0.204 194 K C 2.213 178.850 176.600 0.063 0.000 1.045 194 K CA 1.326 57.660 56.287 0.078 0.000 0.951 194 K CB -0.678 31.856 32.500 0.057 0.000 0.738 194 K HN 0.326 nan 8.250 nan 0.000 0.443 195 A N 0.763 123.647 122.820 0.108 0.000 1.972 195 A HA -0.054 4.270 4.320 0.007 0.000 0.219 195 A C 2.207 179.785 177.584 -0.010 0.000 1.169 195 A CA 2.137 54.216 52.037 0.071 0.000 0.635 195 A CB -0.410 18.718 19.000 0.213 0.000 0.810 195 A HN 0.404 nan 8.150 nan 0.000 0.446 196 A N -2.078 120.694 122.820 -0.081 0.000 1.924 196 A HA 0.426 4.750 4.320 0.007 0.000 0.211 196 A C 1.390 178.609 177.584 -0.608 0.000 1.198 196 A CA 0.864 52.611 52.037 -0.484 0.000 0.657 196 A CB -0.102 18.409 19.000 -0.816 0.000 0.852 196 A HN 0.468 nan 8.150 nan 0.000 0.454 197 F N -0.988 119.035 119.950 0.122 0.000 2.729 197 F HA 0.392 4.923 4.527 0.006 0.000 0.315 197 F C 1.542 177.334 175.800 -0.013 0.000 1.102 197 F CA 0.292 58.378 58.000 0.143 0.000 1.204 197 F CB 0.670 39.918 39.000 0.414 0.000 1.052 197 F HN 0.293 nan 8.300 nan 0.000 0.551 198 G N 1.438 110.278 108.800 0.067 0.000 2.249 198 G HA2 -0.275 3.689 3.960 0.007 0.000 0.273 198 G HA3 -0.275 3.689 3.960 0.007 0.000 0.273 198 G C -0.011 174.822 174.900 -0.111 0.000 1.036 198 G CA 0.125 45.212 45.100 -0.022 0.000 0.824 198 G HN 0.125 nan 8.290 nan 0.000 0.504 199 M N -0.259 119.228 119.600 -0.188 0.000 2.528 199 M HA 0.468 4.952 4.480 0.007 0.000 0.321 199 M C -0.117 176.067 176.300 -0.194 0.000 1.153 199 M CA -0.976 54.096 55.300 -0.379 0.000 0.951 199 M CB 1.732 33.683 32.600 -1.082 0.000 1.705 199 M HN 0.012 nan 8.290 nan 0.000 0.451 200 E N 1.719 121.834 120.200 -0.143 0.000 2.146 200 E HA 0.275 4.629 4.350 0.007 0.000 0.282 200 E C 0.740 177.348 176.600 0.014 0.000 0.989 200 E CA 0.049 56.428 56.400 -0.035 0.000 0.799 200 E CB 1.344 31.033 29.700 -0.018 0.000 1.088 200 E HN 0.765 nan 8.360 nan 0.000 0.397 201 T N -1.744 112.865 114.554 0.092 0.000 3.033 201 T HA -0.019 4.335 4.350 0.007 0.000 0.248 201 T C 0.842 175.609 174.700 0.112 0.000 1.040 201 T CA 0.286 62.485 62.100 0.165 0.000 1.133 201 T CB 0.068 69.103 68.868 0.279 0.000 0.895 201 T HN 0.323 nan 8.240 nan 0.000 0.465 202 S N 0.760 116.509 115.700 0.082 0.000 3.586 202 S HA -0.183 4.291 4.470 0.007 0.000 0.309 202 S C 1.002 175.609 174.600 0.011 0.000 1.195 202 S CA 0.889 59.118 58.200 0.047 0.000 0.895 202 S CB -2.377 60.845 63.200 0.037 0.000 0.983 202 S HN 0.616 nan 8.310 nan 0.000 0.563 203 M N -0.004 119.606 119.600 0.018 0.000 2.213 203 M HA -0.075 4.409 4.480 0.007 0.000 0.263 203 M C 1.955 178.120 176.300 -0.225 0.000 1.062 203 M CA 1.636 56.864 55.300 -0.121 0.000 1.105 203 M CB -0.504 32.085 32.600 -0.019 0.000 1.385 203 M HN 0.453 nan 8.290 nan 0.000 0.417 204 L N -0.018 121.191 121.223 -0.024 0.000 2.261 204 L HA -0.147 4.197 4.340 0.007 0.000 0.216 204 L C 1.459 178.312 176.870 -0.029 0.000 1.114 204 L CA 0.794 55.643 54.840 0.015 0.000 0.777 204 L CB -0.350 41.761 42.059 0.086 0.000 0.910 204 L HN 0.360 nan 8.230 nan 0.000 0.440 205 L N -0.815 120.382 121.223 -0.043 0.000 3.062 205 L HA 0.334 4.678 4.340 0.007 0.000 0.255 205 L C 1.216 178.054 176.870 -0.054 0.000 1.274 205 L CA 0.206 55.028 54.840 -0.030 0.000 1.047 205 L CB 0.289 42.347 42.059 -0.002 0.000 1.402 205 L HN 0.298 nan 8.230 nan 0.000 0.550 206 G N 0.026 108.758 108.800 -0.114 0.000 2.199 206 G HA2 -0.288 3.675 3.960 0.007 0.000 0.254 206 G HA3 -0.288 3.675 3.960 0.007 0.000 0.254 206 G C 0.450 175.302 174.900 -0.082 0.000 0.982 206 G CA 0.125 45.161 45.100 -0.107 0.000 0.632 206 G HN 0.537 nan 8.290 nan 0.000 0.529 207 A N -0.731 122.053 122.820 -0.059 0.000 2.246 207 A HA 0.661 4.985 4.320 0.007 0.000 0.291 207 A C 1.291 178.883 177.584 0.013 0.000 1.103 207 A CA 1.053 53.086 52.037 -0.007 0.000 0.844 207 A CB 0.183 19.197 19.000 0.022 0.000 1.136 207 A HN 1.121 nan 8.150 nan 0.000 0.500 208 Q N -0.889 118.952 119.800 0.068 0.000 2.435 208 Q HA -0.222 4.122 4.340 0.007 0.000 0.286 208 Q C 0.902 176.959 176.000 0.096 0.000 1.229 208 Q CA 1.400 57.276 55.803 0.122 0.000 0.884 208 Q CB -1.685 27.164 28.738 0.185 0.000 1.245 208 Q HN 0.905 nan 8.270 nan 0.000 0.488 209 K N -0.019 120.406 120.400 0.041 0.000 2.113 209 K HA -0.159 4.165 4.320 0.007 0.000 0.208 209 K C -0.409 176.208 176.600 0.029 0.000 1.047 209 K CA 1.731 58.033 56.287 0.025 0.000 0.928 209 K CB -0.386 32.114 32.500 -0.000 0.000 0.716 209 K HN 0.387 nan 8.250 nan 0.000 0.446 210 P HA -0.178 nan 4.420 nan 0.000 0.214 210 P C 1.543 178.800 177.300 -0.071 0.000 1.162 210 P CA 1.050 64.080 63.100 -0.115 0.000 0.874 210 P CB 0.020 31.616 31.700 -0.174 0.000 0.784 211 L N 0.411 121.736 121.223 0.171 0.000 2.129 211 L HA -0.145 4.199 4.340 0.007 0.000 0.212 211 L C 2.677 179.689 176.870 0.236 0.000 1.087 211 L CA 2.099 57.139 54.840 0.333 0.000 0.757 211 L CB -1.688 40.585 42.059 0.357 0.000 0.896 211 L HN -0.018 nan 8.230 nan 0.000 0.434 212 S N -1.687 114.129 115.700 0.192 0.000 2.355 212 S HA -0.179 4.295 4.470 0.007 0.000 0.222 212 S C 1.945 176.644 174.600 0.165 0.000 1.031 212 S CA 0.965 59.297 58.200 0.219 0.000 0.993 212 S CB -0.214 63.127 63.200 0.235 0.000 0.859 212 S HN 0.587 nan 8.310 nan 0.000 0.453 213 Q N 0.944 120.797 119.800 0.088 0.000 2.096 213 Q HA -0.101 4.243 4.340 0.007 0.000 0.204 213 Q C 2.488 178.507 176.000 0.032 0.000 0.982 213 Q CA 1.583 57.410 55.803 0.039 0.000 0.850 213 Q CB -0.961 27.764 28.738 -0.021 0.000 0.901 213 Q HN 0.651 nan 8.270 nan 0.000 0.422 214 A N 0.533 123.358 122.820 0.009 0.000 1.849 214 A HA -0.198 4.126 4.320 0.007 0.000 0.217 214 A C 2.443 180.099 177.584 0.120 0.000 1.202 214 A CA 2.133 54.198 52.037 0.047 0.000 0.629 214 A CB -1.094 17.982 19.000 0.127 0.000 0.834 214 A HN 0.218 nan 8.150 nan 0.000 0.447 215 V N 0.569 120.598 119.914 0.191 0.000 2.278 215 V HA -0.372 3.752 4.120 0.007 0.000 0.251 215 V C 2.591 178.795 176.094 0.184 0.000 1.062 215 V CA 2.707 65.155 62.300 0.247 0.000 1.038 215 V CB -0.821 31.215 31.823 0.355 0.000 0.646 215 V HN 0.729 nan 8.190 nan 0.000 0.447 216 K N -0.336 120.154 120.400 0.149 0.000 2.044 216 K HA -0.198 4.126 4.320 0.007 0.000 0.210 216 K C 2.080 178.733 176.600 0.089 0.000 1.049 216 K CA 1.838 58.191 56.287 0.109 0.000 0.927 216 K CB -0.191 32.362 32.500 0.089 0.000 0.713 216 K HN 0.439 nan 8.250 nan 0.000 0.443 217 L N 0.313 121.583 121.223 0.078 0.000 2.095 217 L HA -0.103 4.241 4.340 0.007 0.000 0.204 217 L C 2.738 179.658 176.870 0.083 0.000 1.080 217 L CA 0.439 55.320 54.840 0.069 0.000 0.759 217 L CB -0.459 41.628 42.059 0.048 0.000 0.914 217 L HN 0.345 nan 8.230 nan 0.000 0.439 218 M N 0.589 120.241 119.600 0.086 0.000 2.143 218 M HA -0.235 4.249 4.480 0.007 0.000 0.258 218 M C 2.168 178.519 176.300 0.086 0.000 1.071 218 M CA 1.993 57.340 55.300 0.078 0.000 1.088 218 M CB -0.631 32.020 32.600 0.085 0.000 1.360 218 M HN 0.224 nan 8.290 nan 0.000 0.404 219 L N -0.269 121.018 121.223 0.107 0.000 2.005 219 L HA -0.226 4.118 4.340 0.007 0.000 0.207 219 L C 2.286 179.207 176.870 0.084 0.000 1.072 219 L CA 1.502 56.403 54.840 0.102 0.000 0.744 219 L CB -0.755 41.364 42.059 0.101 0.000 0.895 219 L HN 0.311 nan 8.230 nan 0.000 0.433 220 E N 0.141 120.391 120.200 0.082 0.000 2.097 220 E HA -0.219 4.135 4.350 0.007 0.000 0.196 220 E C 2.140 178.803 176.600 0.106 0.000 1.000 220 E CA 1.148 57.599 56.400 0.085 0.000 0.804 220 E CB -0.428 29.319 29.700 0.079 0.000 0.740 220 E HN 0.588 nan 8.360 nan 0.000 0.454 221 G N 1.757 110.628 108.800 0.118 0.000 2.545 221 G HA2 -0.296 3.668 3.960 0.007 0.000 0.217 221 G HA3 -0.296 3.668 3.960 0.007 0.000 0.217 221 G C 1.603 176.517 174.900 0.024 0.000 1.218 221 G CA 1.130 46.322 45.100 0.153 0.000 0.787 221 G HN 0.149 nan 8.290 nan 0.000 0.571 222 I N 0.833 121.396 120.570 -0.012 0.000 2.185 222 I HA -0.250 3.924 4.170 0.007 0.000 0.246 222 I C 3.018 179.123 176.117 -0.019 0.000 1.088 222 I CA 1.700 62.968 61.300 -0.052 0.000 1.347 222 I CB -0.841 37.173 38.000 0.024 0.000 1.041 222 I HN 0.165 nan 8.210 nan 0.000 0.415 223 T N 1.006 115.588 114.554 0.047 0.000 2.544 223 T HA -0.311 4.043 4.350 0.007 0.000 0.264 223 T C 2.053 176.811 174.700 0.097 0.000 1.096 223 T CA 2.027 64.178 62.100 0.084 0.000 1.181 223 T CB -0.589 68.335 68.868 0.094 0.000 0.864 223 T HN 0.542 nan 8.240 nan 0.000 0.415 224 A N 1.098 123.992 122.820 0.122 0.000 1.859 224 A HA -0.164 4.160 4.320 0.007 0.000 0.217 224 A C 2.510 180.192 177.584 0.163 0.000 1.198 224 A CA 2.565 54.715 52.037 0.187 0.000 0.629 224 A CB -1.453 17.720 19.000 0.289 0.000 0.830 224 A HN 0.492 nan 8.150 nan 0.000 0.446 225 S N -0.029 115.655 115.700 -0.025 0.000 2.453 225 S HA -0.263 4.211 4.470 0.007 0.000 0.250 225 S C 1.476 176.038 174.600 -0.063 0.000 1.044 225 S CA 2.000 60.024 58.200 -0.294 0.000 1.010 225 S CB -0.356 62.486 63.200 -0.597 0.000 0.793 225 S HN 0.773 nan 8.310 nan 0.000 0.493 226 R N -1.587 118.939 120.500 0.043 0.000 2.563 226 R HA 0.383 4.727 4.340 0.007 0.000 0.443 226 R C 0.133 176.611 176.300 0.297 0.000 0.956 226 R CA -0.305 55.873 56.100 0.130 0.000 1.141 226 R CB -0.087 30.160 30.300 -0.087 0.000 1.553 226 R HN 0.177 nan 8.270 nan 0.000 0.577 227 N N 0.200 119.068 118.700 0.281 0.000 2.026 227 N HA 0.000 4.744 4.740 0.007 0.000 0.239 227 N C -0.490 175.245 175.510 0.376 0.000 1.283 227 N CA 0.147 53.374 53.050 0.295 0.000 0.816 227 N CB 0.928 39.515 38.487 0.167 0.000 1.263 227 N HN -0.002 nan 8.380 nan 0.000 0.470 228 T N 4.825 119.532 114.554 0.255 0.000 2.576 228 T HA -0.028 4.326 4.350 0.007 0.000 0.251 228 T C 1.105 175.893 174.700 0.146 0.000 1.050 228 T CA 0.261 62.470 62.100 0.181 0.000 1.286 228 T CB -0.375 68.587 68.868 0.156 0.000 1.028 228 T HN -0.002 nan 8.240 nan 0.000 0.509 241 R N 0.310 120.771 120.500 -0.065 0.000 3.298 241 R HA 0.230 4.574 4.340 0.007 0.000 0.249 241 R C 1.260 177.554 176.300 -0.010 0.000 1.563 241 R CA 0.130 56.204 56.100 -0.043 0.000 1.378 241 R CB -0.529 29.735 30.300 -0.060 0.000 1.250 241 R HN 0.465 nan 8.270 nan 0.000 0.580 242 E N -0.513 119.683 120.200 -0.007 0.000 2.265 242 E HA -0.147 4.207 4.350 0.007 0.000 0.196 242 E C 1.349 177.961 176.600 0.020 0.000 0.996 242 E CA 0.972 57.370 56.400 -0.004 0.000 0.832 242 E CB 0.088 29.782 29.700 -0.010 0.000 0.756 242 E HN 0.133 nan 8.360 nan 0.000 0.491 243 V N 1.481 121.423 119.914 0.048 0.000 2.287 243 V HA -0.296 3.828 4.120 0.007 0.000 0.248 243 V C 2.237 178.384 176.094 0.088 0.000 1.053 243 V CA 1.950 64.307 62.300 0.094 0.000 1.027 243 V CB -0.500 31.437 31.823 0.189 0.000 0.646 243 V HN 0.236 nan 8.190 nan 0.000 0.447 244 R N -0.260 120.291 120.500 0.086 0.000 2.096 244 R HA -0.160 4.183 4.340 0.007 0.000 0.235 244 R C 2.398 178.724 176.300 0.043 0.000 1.127 244 R CA 1.320 57.462 56.100 0.069 0.000 0.968 244 R CB -0.441 29.894 30.300 0.058 0.000 0.861 244 R HN 0.502 nan 8.270 nan 0.000 0.440 245 E N 1.272 121.492 120.200 0.033 0.000 2.023 245 E HA -0.175 4.179 4.350 0.007 0.000 0.196 245 E C 1.895 178.529 176.600 0.057 0.000 1.003 245 E CA 1.864 58.282 56.400 0.031 0.000 0.809 245 E CB -0.083 29.619 29.700 0.003 0.000 0.755 245 E HN 0.138 nan 8.360 nan 0.000 0.449 246 S N 1.026 116.752 115.700 0.042 0.000 2.359 246 S HA -0.179 4.294 4.470 0.007 0.000 0.223 246 S C 2.202 176.852 174.600 0.084 0.000 1.039 246 S CA 1.597 59.837 58.200 0.067 0.000 1.042 246 S CB -0.446 62.780 63.200 0.044 0.000 0.915 246 S HN 0.328 nan 8.310 nan 0.000 0.439 247 I N 1.122 121.715 120.570 0.038 0.000 2.335 247 I HA -0.241 3.933 4.170 0.007 0.000 0.251 247 I C 2.643 178.750 176.117 -0.017 0.000 1.129 247 I CA 1.252 62.546 61.300 -0.011 0.000 1.402 247 I CB -0.328 37.650 38.000 -0.037 0.000 1.069 247 I HN 0.227 nan 8.210 nan 0.000 0.424 248 R N -0.136 120.373 120.500 0.015 0.000 2.062 248 R HA -0.114 4.230 4.340 0.007 0.000 0.226 248 R C 2.341 178.634 176.300 -0.011 0.000 1.125 248 R CA 1.262 57.358 56.100 -0.007 0.000 0.966 248 R CB -0.552 29.754 30.300 0.010 0.000 0.861 248 R HN 0.175 nan 8.270 nan 0.000 0.433 249 F N 2.155 122.046 119.950 -0.098 0.000 2.043 249 F HA -0.272 4.259 4.527 0.006 0.000 0.297 249 F C 2.002 177.690 175.800 -0.188 0.000 1.118 249 F CA 1.645 59.573 58.000 -0.120 0.000 1.202 249 F CB -0.461 38.487 39.000 -0.086 0.000 0.965 249 F HN -0.104 nan 8.300 nan 0.000 0.482 250 L N 0.030 121.228 121.223 -0.043 0.000 1.978 250 L HA -0.331 4.013 4.340 0.007 0.000 0.218 250 L C 2.652 179.311 176.870 -0.352 0.000 1.075 250 L CA 2.038 56.742 54.840 -0.226 0.000 0.767 250 L CB -0.878 41.115 42.059 -0.110 0.000 0.890 250 L HN 0.100 nan 8.230 nan 0.000 0.434 251 R N -0.621 119.733 120.500 -0.243 0.000 2.159 251 R HA -0.226 4.118 4.340 0.007 0.000 0.237 251 R C 2.277 178.328 176.300 -0.414 0.000 1.131 251 R CA 1.346 57.277 56.100 -0.283 0.000 0.982 251 R CB -0.232 29.967 30.300 -0.168 0.000 0.868 251 R HN 0.351 nan 8.270 nan 0.000 0.453 252 Q N 0.446 119.988 119.800 -0.430 0.000 2.123 252 Q HA -0.036 4.308 4.340 0.007 0.000 0.196 252 Q C 2.013 177.641 176.000 -0.620 0.000 0.958 252 Q CA 1.109 56.644 55.803 -0.448 0.000 0.841 252 Q CB -0.058 28.456 28.738 -0.374 0.000 0.915 252 Q HN 0.057 nan 8.270 nan 0.000 0.455 253 V N 0.502 119.926 119.914 -0.818 0.000 2.277 253 V HA -0.333 3.791 4.120 0.007 0.000 0.253 253 V C 2.153 177.467 176.094 -1.301 0.000 1.067 253 V CA 2.127 63.819 62.300 -1.013 0.000 1.047 253 V CB -1.456 29.718 31.823 -1.082 0.000 0.649 253 V HN 0.607 nan 8.190 nan 0.000 0.447 254 G N -0.497 107.387 108.800 -1.525 0.000 2.446 254 G HA2 -0.257 3.707 3.960 0.007 0.000 0.217 254 G HA3 -0.257 3.707 3.960 0.007 0.000 0.217 254 G C 1.692 176.013 174.900 -0.965 0.000 1.168 254 G CA 0.913 44.758 45.100 -2.091 0.000 0.771 254 G HN 0.466 nan 8.290 nan 0.000 0.551 255 R N 0.485 120.612 120.500 -0.622 0.000 2.083 255 R HA -0.073 4.271 4.340 0.007 0.000 0.237 255 R C 2.286 178.437 176.300 -0.249 0.000 1.137 255 R CA 1.539 57.432 56.100 -0.346 0.000 0.951 255 R CB -0.441 29.703 30.300 -0.260 0.000 0.851 255 R HN 0.324 nan 8.270 nan 0.000 0.434 256 D N -0.195 120.044 120.400 -0.268 0.000 2.092 256 D HA -0.205 4.439 4.640 0.007 0.000 0.193 256 D C 1.825 178.179 176.300 0.090 0.000 0.994 256 D CA 1.195 55.139 54.000 -0.093 0.000 0.828 256 D CB -0.236 40.512 40.800 -0.086 0.000 0.963 256 D HN 0.294 nan 8.370 nan 0.000 0.450 257 W N 1.202 122.360 121.300 -0.237 0.000 2.388 257 W HA -0.043 4.620 4.660 0.006 0.000 0.294 257 W C 2.491 178.962 176.519 -0.078 0.000 1.212 257 W CA -0.032 57.236 57.345 -0.128 0.000 1.271 257 W CB -1.293 28.104 29.460 -0.104 0.000 1.126 257 W HN -0.158 nan 8.180 nan 0.000 0.535 258 V N 0.362 120.321 119.914 0.075 0.000 2.490 258 V HA -0.289 3.835 4.120 0.007 0.000 0.250 258 V C 2.296 178.418 176.094 0.046 0.000 1.061 258 V CA 2.162 64.501 62.300 0.064 0.000 1.064 258 V CB -0.893 30.916 31.823 -0.022 0.000 0.670 258 V HN 0.105 nan 8.190 nan 0.000 0.461 259 Q N 0.698 120.510 119.800 0.019 0.000 2.008 259 Q HA -0.094 4.250 4.340 0.007 0.000 0.196 259 Q C 2.356 178.373 176.000 0.027 0.000 0.973 259 Q CA 1.606 57.415 55.803 0.009 0.000 0.826 259 Q CB -0.351 28.378 28.738 -0.014 0.000 0.894 259 Q HN 0.483 nan 8.270 nan 0.000 0.439 260 R N -0.115 120.411 120.500 0.044 0.000 2.204 260 R HA -0.223 4.121 4.340 0.007 0.000 0.253 260 R C 2.247 178.563 176.300 0.026 0.000 1.172 260 R CA 1.533 57.651 56.100 0.030 0.000 0.994 260 R CB -0.284 30.032 30.300 0.025 0.000 0.874 260 R HN 0.084 nan 8.270 nan 0.000 0.462 261 R N 1.250 121.779 120.500 0.049 0.000 2.062 261 R HA -0.020 4.324 4.340 0.007 0.000 0.229 261 R C 2.019 178.337 176.300 0.031 0.000 1.128 261 R CA 1.529 57.657 56.100 0.048 0.000 0.960 261 R CB -0.212 30.142 30.300 0.089 0.000 0.855 261 R HN 0.093 nan 8.270 nan 0.000 0.432 262 R N 0.391 120.909 120.500 0.029 0.000 2.073 262 R HA -0.091 4.253 4.340 0.007 0.000 0.234 262 R C 2.229 178.535 176.300 0.009 0.000 1.134 262 R CA 1.912 58.022 56.100 0.017 0.000 0.952 262 R CB -0.322 29.986 30.300 0.013 0.000 0.850 262 R HN 0.408 nan 8.270 nan 0.000 0.433 263 E N 0.250 120.455 120.200 0.008 0.000 2.209 263 E HA -0.192 4.162 4.350 0.007 0.000 0.196 263 E C 1.821 178.421 176.600 0.001 0.000 0.993 263 E CA 1.190 57.592 56.400 0.003 0.000 0.819 263 E CB -0.041 29.660 29.700 0.002 0.000 0.745 263 E HN 0.400 nan 8.360 nan 0.000 0.477 264 A N 0.988 123.809 122.820 0.002 0.000 1.984 264 A HA -0.046 4.278 4.320 0.007 0.000 0.214 264 A C 2.104 179.687 177.584 -0.002 0.000 1.173 264 A CA 0.480 52.515 52.037 -0.002 0.000 0.673 264 A CB -0.185 18.812 19.000 -0.005 0.000 0.830 264 A HN 0.228 nan 8.150 nan 0.000 0.453 265 L N -2.462 118.762 121.223 0.001 0.000 2.478 265 L HA 0.236 4.580 4.340 0.007 0.000 0.223 265 L C 1.232 178.101 176.870 -0.002 0.000 1.140 265 L CA 1.449 56.289 54.840 -0.001 0.000 0.842 265 L CB -0.575 41.486 42.059 0.002 0.000 0.953 265 L HN 0.086 nan 8.230 nan 0.000 0.452 266 K N 0.394 120.793 120.400 -0.001 0.000 2.387 266 K HA 0.243 4.567 4.320 0.007 0.000 0.198 266 K C 0.665 177.263 176.600 -0.003 0.000 1.022 266 K CA -0.019 56.267 56.287 -0.002 0.000 1.128 266 K CB 0.242 32.742 32.500 -0.001 0.000 0.853 266 K HN 0.317 nan 8.250 nan 0.000 0.523 267 R N 0.290 120.788 120.500 -0.004 0.000 2.702 267 R HA 0.094 4.438 4.340 0.007 0.000 0.314 267 R C 0.607 176.903 176.300 -0.006 0.000 1.152 267 R CA 0.025 56.122 56.100 -0.005 0.000 1.097 267 R CB 0.341 30.638 30.300 -0.005 0.000 1.343 267 R HN 0.199 nan 8.270 nan 0.000 0.575 268 G N 1.862 110.659 108.800 -0.006 0.000 2.420 268 G HA2 -0.376 3.588 3.960 0.007 0.000 0.305 268 G HA3 -0.376 3.588 3.960 0.007 0.000 0.305 268 G C 0.092 174.987 174.900 -0.009 0.000 0.971 268 G CA 0.836 45.932 45.100 -0.007 0.000 0.843 268 G HN 0.557 nan 8.290 nan 0.000 0.512 269 E N -0.295 119.900 120.200 -0.009 0.000 2.373 269 E HA 0.375 4.729 4.350 0.007 0.000 0.263 269 E C 0.329 176.921 176.600 -0.013 0.000 1.073 269 E CA -0.566 55.827 56.400 -0.011 0.000 0.894 269 E CB 0.362 30.056 29.700 -0.011 0.000 1.008 269 E HN 0.158 nan 8.360 nan 0.000 0.420 270 E N 3.353 123.543 120.200 -0.016 0.000 1.861 270 E HA 0.126 4.480 4.350 0.007 0.000 0.263 270 E C -1.130 175.456 176.600 -0.023 0.000 1.137 270 E CA -0.442 55.947 56.400 -0.020 0.000 0.944 270 E CB 0.126 29.813 29.700 -0.021 0.000 1.092 270 E HN 0.325 nan 8.360 nan 0.000 0.420 271 V N 3.533 123.433 119.914 -0.023 0.000 2.407 271 V HA 0.654 4.778 4.120 0.007 0.000 0.278 271 V C -1.680 174.393 176.094 -0.035 0.000 1.037 271 V CA -1.637 60.648 62.300 -0.026 0.000 0.900 271 V CB 0.713 32.525 31.823 -0.018 0.000 0.983 271 V HN 0.527 nan 8.190 nan 0.000 0.459 272 P HA 0.388 nan 4.420 nan 0.000 0.275 272 P C -0.207 177.052 177.300 -0.069 0.000 1.266 272 P CA -0.408 62.657 63.100 -0.058 0.000 0.793 272 P CB 1.145 32.806 31.700 -0.065 0.000 1.074 273 A N 1.539 124.309 122.820 -0.083 0.000 2.457 273 A HA 0.241 4.565 4.320 0.007 0.000 0.298 273 A C -0.022 177.481 177.584 -0.134 0.000 1.288 273 A CA -0.167 51.811 52.037 -0.099 0.000 0.956 273 A CB -0.943 17.998 19.000 -0.099 0.000 1.135 273 A HN 0.418 nan 8.150 nan 0.000 0.535 274 D N 1.405 121.721 120.400 -0.139 0.000 2.549 274 D HA 0.401 5.045 4.640 0.007 0.000 0.270 274 D C 1.538 177.673 176.300 -0.275 0.000 1.181 274 D CA -0.628 53.256 54.000 -0.193 0.000 1.070 274 D CB 0.584 41.291 40.800 -0.155 0.000 1.154 274 D HN 0.325 nan 8.370 nan 0.000 0.602 275 I N 0.054 120.389 120.570 -0.391 0.000 2.252 275 I HA -0.177 3.997 4.170 0.007 0.000 0.245 275 I C 2.195 178.092 176.117 -0.367 0.000 1.102 275 I CA 0.597 61.591 61.300 -0.510 0.000 1.385 275 I CB -0.081 37.488 38.000 -0.719 0.000 1.064 275 I HN 0.210 nan 8.210 nan 0.000 0.414 276 L N 0.718 121.773 121.223 -0.280 0.000 2.043 276 L HA -0.229 4.115 4.340 0.007 0.000 0.212 276 L C 2.451 179.324 176.870 0.005 0.000 1.075 276 L CA 2.168 57.010 54.840 0.003 0.000 0.752 276 L CB -1.198 41.005 42.059 0.238 0.000 0.891 276 L HN 0.186 nan 8.230 nan 0.000 0.432 277 T N -0.347 114.180 114.554 -0.045 0.000 2.597 277 T HA -0.256 4.098 4.350 0.007 0.000 0.267 277 T C 1.794 176.466 174.700 -0.047 0.000 1.053 277 T CA 1.938 64.014 62.100 -0.039 0.000 1.165 277 T CB -0.261 68.568 68.868 -0.064 0.000 0.863 277 T HN 0.422 nan 8.240 nan 0.000 0.427 278 Q N 0.747 120.491 119.800 -0.093 0.000 2.167 278 Q HA -0.002 4.342 4.340 0.007 0.000 0.202 278 Q C 2.544 178.512 176.000 -0.054 0.000 0.970 278 Q CA 0.995 56.750 55.803 -0.081 0.000 0.855 278 Q CB -0.723 27.951 28.738 -0.107 0.000 0.911 278 Q HN 0.794 nan 8.270 nan 0.000 0.438 279 I N -2.652 117.884 120.570 -0.058 0.000 2.202 279 I HA -0.220 3.954 4.170 0.007 0.000 0.242 279 I C 2.137 178.280 176.117 0.044 0.000 1.091 279 I CA 1.078 62.383 61.300 0.007 0.000 1.368 279 I CB -0.684 37.346 38.000 0.049 0.000 1.058 279 I HN 0.005 nan 8.210 nan 0.000 0.410 280 L N 1.135 122.388 121.223 0.050 0.000 2.012 280 L HA -0.220 4.124 4.340 0.007 0.000 0.210 280 L C 2.762 179.646 176.870 0.024 0.000 1.073 280 L CA 1.773 56.641 54.840 0.046 0.000 0.748 280 L CB -0.734 41.353 42.059 0.047 0.000 0.891 280 L HN 0.268 nan 8.230 nan 0.000 0.431 281 K N 0.702 121.106 120.400 0.007 0.000 2.160 281 K HA -0.166 4.158 4.320 0.007 0.000 0.206 281 K C 1.803 178.403 176.600 -0.000 0.000 1.047 281 K CA 1.663 57.948 56.287 -0.002 0.000 0.930 281 K CB -0.257 32.234 32.500 -0.016 0.000 0.720 281 K HN 0.294 nan 8.250 nan 0.000 0.450 282 A N -0.044 122.778 122.820 0.003 0.000 2.132 282 A HA 0.062 4.386 4.320 0.007 0.000 0.213 282 A C 0.834 178.429 177.584 0.018 0.000 1.154 282 A CA 0.542 52.581 52.037 0.004 0.000 0.753 282 A CB -0.022 18.977 19.000 -0.001 0.000 0.826 282 A HN 0.223 nan 8.150 nan 0.000 0.469 283 E N 1.181 121.398 120.200 0.028 0.000 2.411 283 E HA 0.065 4.419 4.350 0.007 0.000 0.204 283 E C -0.389 176.225 176.600 0.024 0.000 1.059 283 E CA -0.068 56.352 56.400 0.033 0.000 1.112 283 E CB -0.215 29.513 29.700 0.047 0.000 1.168 283 E HN 0.897 nan 8.360 nan 0.000 0.445 284 E N -0.840 119.371 120.200 0.017 0.000 2.313 284 E HA 0.424 4.778 4.350 0.007 0.000 0.276 284 E C 0.755 177.362 176.600 0.013 0.000 1.031 284 E CA -0.115 56.293 56.400 0.013 0.000 0.857 284 E CB 0.955 30.660 29.700 0.008 0.000 1.040 284 E HN 0.054 nan 8.360 nan 0.000 0.408 285 G N 1.771 110.578 108.800 0.012 0.000 2.159 285 G HA2 -0.298 3.666 3.960 0.007 0.000 0.256 285 G HA3 -0.298 3.666 3.960 0.007 0.000 0.256 285 G C 0.268 175.176 174.900 0.014 0.000 0.977 285 G CA -0.068 45.039 45.100 0.012 0.000 0.652 285 G HN 0.974 nan 8.290 nan 0.000 0.531 286 A N 0.452 123.282 122.820 0.016 0.000 2.362 286 A HA 0.638 4.962 4.320 0.007 0.000 0.276 286 A C 1.420 179.013 177.584 0.014 0.000 1.153 286 A CA 0.831 52.879 52.037 0.018 0.000 0.813 286 A CB 0.385 19.400 19.000 0.024 0.000 1.081 286 A HN 0.893 nan 8.150 nan 0.000 0.507 287 Q N 1.868 121.676 119.800 0.014 0.000 2.096 287 Q HA -0.133 4.211 4.340 0.007 0.000 0.204 287 Q C -0.530 175.475 176.000 0.008 0.000 0.982 287 Q CA 1.398 57.207 55.803 0.010 0.000 0.850 287 Q CB -0.289 28.455 28.738 0.010 0.000 0.901 287 Q HN 0.654 nan 8.270 nan 0.000 0.422 288 D N 0.538 120.944 120.400 0.011 0.000 2.326 288 D HA 0.198 4.842 4.640 0.007 0.000 0.251 288 D C -0.590 175.717 176.300 0.010 0.000 1.023 288 D CA -0.653 53.351 54.000 0.007 0.000 0.966 288 D CB 1.081 41.886 40.800 0.008 0.000 1.156 288 D HN 0.049 nan 8.370 nan 0.000 0.494 289 D N 0.418 120.820 120.400 0.003 0.000 2.722 289 D HA 0.007 4.651 4.640 0.007 0.000 0.239 289 D C 0.843 177.149 176.300 0.010 0.000 1.249 289 D CA 0.056 54.060 54.000 0.007 0.000 0.830 289 D CB 0.740 41.535 40.800 -0.007 0.000 1.025 289 D HN 0.296 nan 8.370 nan 0.000 0.486 290 E N 0.328 120.538 120.200 0.016 0.000 2.122 290 E HA 0.000 4.354 4.350 0.007 0.000 0.190 290 E C 2.124 178.752 176.600 0.047 0.000 0.977 290 E CA 0.692 57.103 56.400 0.019 0.000 0.820 290 E CB -0.219 29.490 29.700 0.015 0.000 0.770 290 E HN 0.263 nan 8.360 nan 0.000 0.462 291 G N 1.067 109.901 108.800 0.057 0.000 2.471 291 G HA2 -0.165 3.799 3.960 0.007 0.000 0.219 291 G HA3 -0.165 3.799 3.960 0.007 0.000 0.219 291 G C 1.352 176.318 174.900 0.110 0.000 1.125 291 G CA 0.542 45.691 45.100 0.083 0.000 0.775 291 G HN 0.308 nan 8.290 nan 0.000 0.548 292 L N 0.361 121.640 121.223 0.093 0.000 2.162 292 L HA 0.155 4.498 4.340 0.007 0.000 0.205 292 L C 2.495 179.458 176.870 0.155 0.000 1.086 292 L CA 0.979 55.891 54.840 0.120 0.000 0.778 292 L CB -0.618 41.490 42.059 0.082 0.000 0.928 292 L HN 0.059 nan 8.230 nan 0.000 0.446 293 L N 0.159 121.437 121.223 0.091 0.000 2.046 293 L HA -0.216 4.128 4.340 0.007 0.000 0.208 293 L C 2.385 179.374 176.870 0.199 0.000 1.077 293 L CA 1.461 56.359 54.840 0.096 0.000 0.747 293 L CB -1.502 40.547 42.059 -0.018 0.000 0.896 293 L HN 0.272 nan 8.230 nan 0.000 0.432 294 D N 0.427 120.929 120.400 0.169 0.000 2.156 294 D HA -0.220 4.424 4.640 0.007 0.000 0.190 294 D C 1.851 178.339 176.300 0.313 0.000 0.998 294 D CA 1.311 55.439 54.000 0.212 0.000 0.842 294 D CB -0.408 40.496 40.800 0.173 0.000 0.974 294 D HN 0.237 nan 8.370 nan 0.000 0.447 295 N N 0.069 118.958 118.700 0.314 0.000 2.184 295 N HA -0.182 4.562 4.740 0.007 0.000 0.190 295 N C 1.713 177.547 175.510 0.539 0.000 1.011 295 N CA 0.452 53.757 53.050 0.425 0.000 0.867 295 N CB -0.528 38.190 38.487 0.385 0.000 0.993 295 N HN 0.233 nan 8.380 nan 0.000 0.433 296 F N 1.629 121.769 119.950 0.317 0.000 2.051 296 F HA -0.154 4.377 4.527 0.007 0.000 0.296 296 F C 2.168 178.172 175.800 0.339 0.000 1.122 296 F CA 1.114 59.297 58.000 0.306 0.000 1.201 296 F CB -0.461 38.556 39.000 0.029 0.000 0.978 296 F HN -0.205 nan 8.300 nan 0.000 0.472 297 V N 0.137 120.317 119.914 0.443 0.000 2.407 297 V HA -0.289 3.835 4.120 0.007 0.000 0.248 297 V C 2.280 178.688 176.094 0.525 0.000 1.055 297 V CA 2.197 64.715 62.300 0.364 0.000 1.049 297 V CB -1.246 30.732 31.823 0.259 0.000 0.662 297 V HN 0.470 nan 8.190 nan 0.000 0.455 298 T N 0.470 115.336 114.554 0.519 0.000 2.580 298 T HA -0.226 4.128 4.350 0.007 0.000 0.265 298 T C 1.659 176.407 174.700 0.080 0.000 1.063 298 T CA 2.218 64.456 62.100 0.231 0.000 1.170 298 T CB -0.494 68.444 68.868 0.117 0.000 0.863 298 T HN 0.402 nan 8.240 nan 0.000 0.418 299 F N 0.222 120.267 119.950 0.159 0.000 2.171 299 F HA 0.057 4.588 4.527 0.007 0.000 0.300 299 F C 2.041 177.943 175.800 0.169 0.000 1.090 299 F CA 0.709 58.785 58.000 0.126 0.000 1.293 299 F CB -0.571 38.505 39.000 0.127 0.000 1.013 299 F HN 0.086 nan 8.300 nan 0.000 0.486 300 F N 0.599 120.673 119.950 0.207 0.000 2.161 300 F HA -0.216 4.315 4.527 0.006 0.000 0.300 300 F C 1.945 177.890 175.800 0.242 0.000 1.089 300 F CA 1.569 59.628 58.000 0.098 0.000 1.282 300 F CB -0.280 38.502 39.000 -0.363 0.000 1.010 300 F HN -0.104 nan 8.300 nan 0.000 0.485 301 I N -0.851 119.926 120.570 0.345 0.000 2.512 301 I HA -0.043 4.131 4.170 0.007 0.000 0.247 301 I C 2.607 178.721 176.117 -0.004 0.000 1.094 301 I CA 0.819 62.279 61.300 0.267 0.000 1.427 301 I CB -0.900 37.341 38.000 0.402 0.000 1.149 301 I HN 0.063 nan 8.210 nan 0.000 0.438 302 A N 0.959 123.712 122.820 -0.112 0.000 1.986 302 A HA -0.168 4.156 4.320 0.007 0.000 0.220 302 A C 2.213 179.699 177.584 -0.163 0.000 1.171 302 A CA 2.068 53.973 52.037 -0.220 0.000 0.640 302 A CB -1.276 17.505 19.000 -0.364 0.000 0.811 302 A HN 0.505 nan 8.150 nan 0.000 0.451 303 G N -2.155 106.597 108.800 -0.080 0.000 2.985 303 G HA2 0.137 4.101 3.960 0.007 0.000 0.209 303 G HA3 0.137 4.101 3.960 0.007 0.000 0.209 303 G C 1.119 176.021 174.900 0.003 0.000 1.165 303 G CA 1.056 46.111 45.100 -0.076 0.000 0.776 303 G HN 0.860 nan 8.290 nan 0.000 0.541 304 H N -1.235 117.773 119.070 -0.102 0.000 2.916 304 H HA 0.140 4.700 4.556 0.007 0.000 0.229 304 H C 1.794 177.091 175.328 -0.052 0.000 0.917 304 H CA 0.814 56.819 56.048 -0.072 0.000 1.048 304 H CB 0.016 29.705 29.762 -0.121 0.000 1.417 304 H HN 0.210 nan 8.280 nan 0.000 0.445 305 E N 2.410 122.037 120.200 -0.954 0.000 2.038 305 E HA -0.146 4.207 4.350 0.007 0.000 0.195 305 E C 2.281 178.721 176.600 -0.268 0.000 1.000 305 E CA 3.265 59.264 56.400 -0.667 0.000 0.803 305 E CB -0.498 28.896 29.700 -0.511 0.000 0.750 305 E HN 0.579 nan 8.360 nan 0.000 0.448 306 T N -2.173 112.270 114.554 -0.184 0.000 2.833 306 T HA -0.070 4.283 4.350 0.007 0.000 0.269 306 T C 2.127 176.819 174.700 -0.014 0.000 1.054 306 T CA 1.399 63.446 62.100 -0.089 0.000 1.135 306 T CB -0.487 68.319 68.868 -0.102 0.000 0.869 306 T HN 0.044 nan 8.240 nan 0.000 0.466 307 S N 1.948 117.644 115.700 -0.007 0.000 2.368 307 S HA 0.157 4.631 4.470 0.007 0.000 0.224 307 S C 2.646 177.267 174.600 0.036 0.000 1.029 307 S CA 0.884 59.127 58.200 0.072 0.000 0.988 307 S CB -0.793 62.455 63.200 0.080 0.000 0.838 307 S HN 0.773 nan 8.310 nan 0.000 0.462 308 A N 2.362 125.163 122.820 -0.031 0.000 1.898 308 A HA -0.141 4.183 4.320 0.007 0.000 0.216 308 A C 1.863 179.387 177.584 -0.101 0.000 1.181 308 A CA 1.627 53.625 52.037 -0.065 0.000 0.620 308 A CB -0.848 18.108 19.000 -0.075 0.000 0.819 308 A HN 0.626 nan 8.150 nan 0.000 0.442 309 N N -1.487 117.156 118.700 -0.095 0.000 2.120 309 N HA -0.207 4.537 4.740 0.007 0.000 0.188 309 N C 1.879 177.386 175.510 -0.005 0.000 1.024 309 N CA 1.245 54.208 53.050 -0.144 0.000 0.852 309 N CB -0.337 38.096 38.487 -0.089 0.000 1.003 309 N HN 0.668 nan 8.380 nan 0.000 0.424 310 H N 1.596 120.686 119.070 0.034 0.000 2.289 310 H HA -0.074 4.487 4.556 0.007 0.000 0.296 310 H C 1.948 177.315 175.328 0.064 0.000 1.091 310 H CA 1.520 57.638 56.048 0.116 0.000 1.274 310 H CB -0.557 29.237 29.762 0.054 0.000 1.364 310 H HN 0.128 nan 8.280 nan 0.000 0.490 311 L N -0.302 120.836 121.223 -0.142 0.000 1.990 311 L HA -0.235 4.109 4.340 0.007 0.000 0.213 311 L C 2.946 179.692 176.870 -0.206 0.000 1.072 311 L CA 1.399 56.107 54.840 -0.221 0.000 0.755 311 L CB -0.887 41.075 42.059 -0.161 0.000 0.889 311 L HN 0.433 nan 8.230 nan 0.000 0.432 312 A N -0.204 122.484 122.820 -0.220 0.000 1.892 312 A HA -0.253 4.071 4.320 0.007 0.000 0.218 312 A C 2.060 179.472 177.584 -0.287 0.000 1.188 312 A CA 1.876 53.736 52.037 -0.296 0.000 0.631 312 A CB -0.908 17.861 19.000 -0.386 0.000 0.822 312 A HN 0.299 nan 8.150 nan 0.000 0.447 313 F N 0.648 120.492 119.950 -0.176 0.000 2.095 313 F HA -0.150 4.382 4.527 0.007 0.000 0.298 313 F C 2.835 178.503 175.800 -0.221 0.000 1.104 313 F CA 1.825 59.680 58.000 -0.241 0.000 1.232 313 F CB -1.259 37.656 39.000 -0.142 0.000 0.987 313 F HN 0.163 nan 8.300 nan 0.000 0.475 314 T N -0.407 114.166 114.554 0.033 0.000 2.720 314 T HA -0.192 4.161 4.350 0.007 0.000 0.268 314 T C 2.282 176.900 174.700 -0.136 0.000 1.037 314 T CA 1.536 63.610 62.100 -0.043 0.000 1.144 314 T CB -0.786 67.997 68.868 -0.143 0.000 0.864 314 T HN 0.224 nan 8.240 nan 0.000 0.444 315 V N 1.321 121.114 119.914 -0.203 0.000 2.358 315 V HA -0.108 4.016 4.120 0.007 0.000 0.246 315 V C 2.262 178.228 176.094 -0.214 0.000 1.047 315 V CA 1.982 64.115 62.300 -0.279 0.000 1.035 315 V CB -0.563 30.983 31.823 -0.463 0.000 0.658 315 V HN 0.538 nan 8.190 nan 0.000 0.452 316 M N -0.029 119.455 119.600 -0.194 0.000 2.082 316 M HA -0.241 4.243 4.480 0.007 0.000 0.258 316 M C 2.192 178.482 176.300 -0.017 0.000 1.071 316 M CA 2.908 58.100 55.300 -0.179 0.000 1.103 316 M CB -0.348 32.128 32.600 -0.207 0.000 1.307 316 M HN 0.549 nan 8.290 nan 0.000 0.409 317 E N 0.521 120.688 120.200 -0.055 0.000 2.051 317 E HA -0.163 4.191 4.350 0.007 0.000 0.192 317 E C 1.842 178.343 176.600 -0.166 0.000 0.991 317 E CA 1.667 58.004 56.400 -0.106 0.000 0.799 317 E CB -0.643 28.849 29.700 -0.348 0.000 0.748 317 E HN 0.668 nan 8.360 nan 0.000 0.449 318 L N 0.763 121.880 121.223 -0.177 0.000 2.127 318 L HA -0.190 4.154 4.340 0.007 0.000 0.211 318 L C 2.486 179.345 176.870 -0.018 0.000 1.089 318 L CA 1.373 56.143 54.840 -0.116 0.000 0.757 318 L CB -0.797 41.207 42.059 -0.092 0.000 0.899 318 L HN 0.239 nan 8.230 nan 0.000 0.434 319 S N 0.978 116.694 115.700 0.027 0.000 2.440 319 S HA -0.215 4.259 4.470 0.007 0.000 0.238 319 S C 1.584 176.262 174.600 0.131 0.000 1.010 319 S CA 0.964 59.219 58.200 0.093 0.000 0.972 319 S CB -0.418 62.839 63.200 0.095 0.000 0.774 319 S HN 0.675 nan 8.310 nan 0.000 0.501 320 R N 0.049 120.620 120.500 0.118 0.000 2.767 320 R HA 0.378 4.722 4.340 0.007 0.000 0.377 320 R C -0.379 175.900 176.300 -0.034 0.000 1.151 320 R CA -0.470 55.648 56.100 0.031 0.000 1.046 320 R CB 0.136 30.376 30.300 -0.099 0.000 1.404 320 R HN 0.184 nan 8.270 nan 0.000 0.580 321 Q N 1.156 120.951 119.800 -0.009 0.000 3.180 321 Q HA 0.168 4.512 4.340 0.007 0.000 0.317 321 Q C -2.149 173.878 176.000 0.045 0.000 0.824 321 Q CA -1.550 54.255 55.803 0.004 0.000 0.926 321 Q CB 1.840 30.558 28.738 -0.033 0.000 1.487 321 Q HN 0.197 nan 8.270 nan 0.000 0.389 322 P HA -0.207 nan 4.420 nan 0.000 0.216 322 P C 0.553 177.893 177.300 0.066 0.000 1.150 322 P CA 1.427 64.561 63.100 0.056 0.000 0.843 322 P CB 0.640 32.368 31.700 0.045 0.000 0.787 323 E N 0.044 120.284 120.200 0.067 0.000 2.058 323 E HA -0.145 4.209 4.350 0.007 0.000 0.194 323 E C 2.248 178.916 176.600 0.115 0.000 0.997 323 E CA 1.037 57.482 56.400 0.075 0.000 0.801 323 E CB -0.958 28.783 29.700 0.069 0.000 0.746 323 E HN 0.220 nan 8.360 nan 0.000 0.450 324 I N 0.425 121.088 120.570 0.155 0.000 2.226 324 I HA -0.206 3.968 4.170 0.007 0.000 0.245 324 I C 2.213 178.467 176.117 0.228 0.000 1.100 324 I CA 0.968 62.419 61.300 0.252 0.000 1.374 324 I CB -1.047 37.107 38.000 0.257 0.000 1.057 324 I HN 0.016 nan 8.210 nan 0.000 0.413 325 V N 1.505 121.506 119.914 0.145 0.000 2.332 325 V HA -0.272 3.852 4.120 0.007 0.000 0.248 325 V C 2.874 179.041 176.094 0.121 0.000 1.055 325 V CA 1.831 64.206 62.300 0.124 0.000 1.038 325 V CB -1.161 30.720 31.823 0.097 0.000 0.651 325 V HN 0.462 nan 8.190 nan 0.000 0.450 326 A N 0.007 122.886 122.820 0.099 0.000 1.908 326 A HA -0.289 4.035 4.320 0.007 0.000 0.218 326 A C 2.419 180.045 177.584 0.070 0.000 1.181 326 A CA 2.250 54.330 52.037 0.072 0.000 0.627 326 A CB -0.584 18.447 19.000 0.050 0.000 0.818 326 A HN 0.504 nan 8.150 nan 0.000 0.445 327 R N -0.504 120.045 120.500 0.082 0.000 2.092 327 R HA 0.001 4.345 4.340 0.007 0.000 0.231 327 R C 1.934 178.312 176.300 0.129 0.000 1.119 327 R CA 1.204 57.317 56.100 0.022 0.000 0.970 327 R CB -0.362 29.855 30.300 -0.138 0.000 0.864 327 R HN 0.519 nan 8.270 nan 0.000 0.440 328 L N 0.515 121.893 121.223 0.259 0.000 2.046 328 L HA -0.204 4.140 4.340 0.007 0.000 0.208 328 L C 2.596 179.552 176.870 0.142 0.000 1.077 328 L CA 1.542 56.531 54.840 0.247 0.000 0.747 328 L CB -0.389 41.789 42.059 0.199 0.000 0.896 328 L HN 0.297 nan 8.230 nan 0.000 0.432 329 Q N -0.285 119.581 119.800 0.111 0.000 1.993 329 Q HA -0.213 4.131 4.340 0.007 0.000 0.202 329 Q C 2.487 178.526 176.000 0.065 0.000 0.984 329 Q CA 1.616 57.468 55.803 0.081 0.000 0.837 329 Q CB -0.414 28.367 28.738 0.071 0.000 0.902 329 Q HN 0.545 nan 8.270 nan 0.000 0.423 330 A N 1.603 124.455 122.820 0.054 0.000 1.881 330 A HA -0.374 3.950 4.320 0.007 0.000 0.219 330 A C 2.003 179.611 177.584 0.040 0.000 1.215 330 A CA 2.173 54.230 52.037 0.034 0.000 0.648 330 A CB -0.957 18.050 19.000 0.012 0.000 0.832 330 A HN 0.536 nan 8.150 nan 0.000 0.455 331 E N -0.870 119.364 120.200 0.058 0.000 2.058 331 E HA -0.167 4.187 4.350 0.007 0.000 0.194 331 E C 1.925 178.564 176.600 0.065 0.000 0.997 331 E CA 1.593 58.035 56.400 0.069 0.000 0.801 331 E CB -0.228 29.544 29.700 0.120 0.000 0.746 331 E HN 0.341 nan 8.360 nan 0.000 0.450 332 V N 1.156 121.113 119.914 0.071 0.000 2.453 332 V HA -0.189 3.935 4.120 0.007 0.000 0.247 332 V C 1.364 177.488 176.094 0.050 0.000 1.048 332 V CA 2.224 64.561 62.300 0.061 0.000 1.049 332 V CB -0.359 31.504 31.823 0.066 0.000 0.672 332 V HN 0.306 nan 8.190 nan 0.000 0.457 333 D N -0.054 120.374 120.400 0.046 0.000 2.116 333 D HA -0.216 4.428 4.640 0.007 0.000 0.193 333 D C 2.095 178.414 176.300 0.032 0.000 0.998 333 D CA 1.849 55.871 54.000 0.037 0.000 0.836 333 D CB -0.195 40.624 40.800 0.032 0.000 0.951 333 D HN 0.576 nan 8.370 nan 0.000 0.449 334 E N 0.754 120.972 120.200 0.031 0.000 2.017 334 E HA -0.119 4.235 4.350 0.007 0.000 0.193 334 E C 2.121 178.739 176.600 0.029 0.000 0.997 334 E CA 0.979 57.395 56.400 0.027 0.000 0.804 334 E CB -0.522 29.192 29.700 0.023 0.000 0.757 334 E HN 0.073 nan 8.360 nan 0.000 0.448 335 V N 1.326 121.260 119.914 0.034 0.000 2.332 335 V HA -0.228 3.896 4.120 0.007 0.000 0.248 335 V C 2.431 178.546 176.094 0.034 0.000 1.055 335 V CA 2.217 64.537 62.300 0.033 0.000 1.038 335 V CB -0.698 31.145 31.823 0.035 0.000 0.651 335 V HN 0.585 nan 8.190 nan 0.000 0.450 336 I N -3.918 116.675 120.570 0.038 0.000 4.288 336 I HA 0.593 4.767 4.170 0.007 0.000 0.331 336 I C 1.446 177.585 176.117 0.037 0.000 1.322 336 I CA 0.666 61.992 61.300 0.042 0.000 1.149 336 I CB 0.107 38.138 38.000 0.051 0.000 1.112 336 I HN 0.305 nan 8.210 nan 0.000 0.403 337 G N 3.164 111.984 108.800 0.033 0.000 2.629 337 G HA2 -0.416 3.548 3.960 0.007 0.000 0.313 337 G HA3 -0.416 3.548 3.960 0.007 0.000 0.313 337 G C 0.667 175.584 174.900 0.029 0.000 1.217 337 G CA 1.209 46.326 45.100 0.028 0.000 0.994 337 G HN 0.905 nan 8.290 nan 0.000 0.549 338 S N 0.452 116.165 115.700 0.022 0.000 2.846 338 S HA 0.410 4.884 4.470 0.007 0.000 0.249 338 S C 0.567 175.175 174.600 0.013 0.000 1.028 338 S CA 0.775 58.987 58.200 0.019 0.000 1.043 338 S CB 0.201 63.408 63.200 0.012 0.000 0.990 338 S HN 1.146 nan 8.310 nan 0.000 0.564 339 K N 1.300 121.711 120.400 0.018 0.000 2.440 339 K HA 0.216 4.540 4.320 0.007 0.000 0.270 339 K C 0.584 177.193 176.600 0.015 0.000 0.980 339 K CA -0.533 55.760 56.287 0.010 0.000 0.953 339 K CB 0.833 33.350 32.500 0.028 0.000 0.925 339 K HN 0.057 nan 8.250 nan 0.000 0.497 340 R N 0.443 120.918 120.500 -0.041 0.000 2.075 340 R HA -0.001 4.343 4.340 0.007 0.000 0.226 340 R C 0.088 176.487 176.300 0.165 0.000 1.114 340 R CA 0.958 57.025 56.100 -0.054 0.000 0.972 340 R CB -0.021 30.113 30.300 -0.277 0.000 0.869 340 R HN 0.535 nan 8.270 nan 0.000 0.437 341 Y N 0.647 120.965 120.300 0.030 0.000 2.342 341 Y HA 0.266 4.820 4.550 0.007 0.000 0.334 341 Y C -0.007 175.915 175.900 0.037 0.000 1.067 341 Y CA -1.891 56.230 58.100 0.035 0.000 1.128 341 Y CB 0.762 39.241 38.460 0.031 0.000 1.200 341 Y HN -0.167 nan 8.280 nan 0.000 0.464 342 L N 3.984 125.328 121.223 0.201 0.000 2.371 342 L HA 0.248 4.592 4.340 0.007 0.000 0.272 342 L C 0.439 177.373 176.870 0.106 0.000 1.124 342 L CA -0.139 54.772 54.840 0.117 0.000 0.816 342 L CB 0.216 42.321 42.059 0.077 0.000 1.129 342 L HN 0.494 nan 8.230 nan 0.000 0.448 343 D N 0.901 121.357 120.400 0.093 0.000 2.283 343 D HA 0.034 4.678 4.640 0.007 0.000 0.248 343 D C 0.903 177.271 176.300 0.113 0.000 1.072 343 D CA -0.343 53.720 54.000 0.106 0.000 0.929 343 D CB 1.155 42.016 40.800 0.102 0.000 1.182 343 D HN 0.462 nan 8.370 nan 0.000 0.433 344 F N 1.632 121.585 119.950 0.005 0.000 2.192 344 F HA -0.231 4.299 4.527 0.006 0.000 0.301 344 F C 1.840 177.650 175.800 0.016 0.000 1.079 344 F CA 1.561 59.563 58.000 0.004 0.000 1.303 344 F CB 0.284 39.272 39.000 -0.019 0.000 1.024 344 F HN 0.233 nan 8.300 nan 0.000 0.494 345 E N 0.029 120.329 120.200 0.167 0.000 2.274 345 E HA -0.138 4.216 4.350 0.007 0.000 0.194 345 E C 1.721 178.311 176.600 -0.016 0.000 0.996 345 E CA 0.994 57.452 56.400 0.097 0.000 0.840 345 E CB -0.537 29.242 29.700 0.132 0.000 0.772 345 E HN 0.547 nan 8.360 nan 0.000 0.491 346 D N 0.752 121.140 120.400 -0.020 0.000 2.224 346 D HA -0.045 4.599 4.640 0.007 0.000 0.205 346 D C 2.170 178.433 176.300 -0.062 0.000 0.965 346 D CA 0.324 54.312 54.000 -0.019 0.000 0.852 346 D CB -0.026 40.781 40.800 0.012 0.000 0.947 346 D HN 0.188 nan 8.370 nan 0.000 0.494 347 L N 0.837 121.973 121.223 -0.145 0.000 2.012 347 L HA -0.116 4.228 4.340 0.007 0.000 0.210 347 L C 2.662 179.453 176.870 -0.131 0.000 1.073 347 L CA 1.540 56.283 54.840 -0.161 0.000 0.748 347 L CB -0.913 40.968 42.059 -0.297 0.000 0.891 347 L HN 0.080 nan 8.230 nan 0.000 0.431 348 G N -0.002 108.700 108.800 -0.164 0.000 2.442 348 G HA2 -0.254 3.710 3.960 0.007 0.000 0.219 348 G HA3 -0.254 3.710 3.960 0.007 0.000 0.219 348 G C 1.706 176.584 174.900 -0.036 0.000 1.141 348 G CA 0.566 45.611 45.100 -0.093 0.000 0.763 348 G HN 0.355 nan 8.290 nan 0.000 0.554 349 R N -0.304 120.181 120.500 -0.025 0.000 2.236 349 R HA 0.173 4.517 4.340 0.007 0.000 0.208 349 R C 0.971 177.283 176.300 0.020 0.000 1.036 349 R CA -0.030 56.073 56.100 0.005 0.000 1.001 349 R CB -0.202 30.105 30.300 0.012 0.000 0.896 349 R HN 0.299 nan 8.270 nan 0.000 0.464 350 L N 2.364 123.594 121.223 0.011 0.000 2.803 350 L HA -0.006 4.338 4.340 0.007 0.000 0.241 350 L C 1.759 178.657 176.870 0.047 0.000 1.404 350 L CA -0.346 54.514 54.840 0.032 0.000 1.211 350 L CB -0.214 41.855 42.059 0.018 0.000 1.585 350 L HN 0.088 nan 8.230 nan 0.000 0.430 351 Q N 1.052 120.891 119.800 0.066 0.000 2.047 351 Q HA -0.320 4.024 4.340 0.007 0.000 0.211 351 Q C 1.947 178.018 176.000 0.119 0.000 1.005 351 Q CA 2.378 58.231 55.803 0.084 0.000 0.866 351 Q CB -0.453 28.345 28.738 0.099 0.000 0.938 351 Q HN 0.625 nan 8.270 nan 0.000 0.414 352 Y N -0.658 119.658 120.300 0.026 0.000 2.314 352 Y HA -0.147 4.407 4.550 0.007 0.000 0.293 352 Y C 1.875 177.799 175.900 0.039 0.000 1.129 352 Y CA 1.001 59.123 58.100 0.035 0.000 1.201 352 Y CB -0.074 38.409 38.460 0.038 0.000 0.999 352 Y HN 0.339 nan 8.280 nan 0.000 0.541 353 L N -0.335 120.879 121.223 -0.014 0.000 2.017 353 L HA -0.190 4.153 4.340 0.007 0.000 0.208 353 L C 2.601 179.408 176.870 -0.104 0.000 1.073 353 L CA 2.260 57.054 54.840 -0.077 0.000 0.745 353 L CB -1.391 40.670 42.059 0.002 0.000 0.894 353 L HN 0.269 nan 8.230 nan 0.000 0.432 354 S N -1.187 114.478 115.700 -0.059 0.000 2.383 354 S HA -0.259 4.215 4.470 0.007 0.000 0.229 354 S C 1.937 176.465 174.600 -0.119 0.000 1.030 354 S CA 1.668 59.834 58.200 -0.056 0.000 1.002 354 S CB -0.192 62.994 63.200 -0.023 0.000 0.829 354 S HN 0.700 nan 8.310 nan 0.000 0.467 355 Q N -0.150 119.561 119.800 -0.148 0.000 2.119 355 Q HA -0.024 4.320 4.340 0.007 0.000 0.201 355 Q C 2.258 178.101 176.000 -0.261 0.000 0.972 355 Q CA 1.477 57.174 55.803 -0.177 0.000 0.847 355 Q CB -0.177 28.514 28.738 -0.078 0.000 0.903 355 Q HN 0.436 nan 8.270 nan 0.000 0.433 356 V N 1.079 120.814 119.914 -0.299 0.000 2.343 356 V HA -0.249 3.875 4.120 0.007 0.000 0.247 356 V C 2.117 178.196 176.094 -0.024 0.000 1.051 356 V CA 1.520 63.722 62.300 -0.164 0.000 1.036 356 V CB -0.433 31.299 31.823 -0.152 0.000 0.654 356 V HN 0.356 nan 8.190 nan 0.000 0.451 357 L N -0.626 120.578 121.223 -0.032 0.000 2.093 357 L HA -0.175 4.169 4.340 0.007 0.000 0.208 357 L C 2.556 179.457 176.870 0.052 0.000 1.085 357 L CA 1.560 56.457 54.840 0.095 0.000 0.755 357 L CB -0.603 41.533 42.059 0.128 0.000 0.904 357 L HN 0.296 nan 8.230 nan 0.000 0.435 358 K N 0.003 120.272 120.400 -0.219 0.000 2.026 358 K HA -0.231 4.093 4.320 0.007 0.000 0.208 358 K C 2.057 178.342 176.600 -0.525 0.000 1.048 358 K CA 1.522 57.485 56.287 -0.539 0.000 0.929 358 K CB -0.097 31.634 32.500 -1.281 0.000 0.713 358 K HN 0.071 nan 8.250 nan 0.000 0.439 359 E N 0.905 120.847 120.200 -0.430 0.000 2.204 359 E HA -0.129 4.225 4.350 0.007 0.000 0.194 359 E C 1.922 178.422 176.600 -0.167 0.000 0.989 359 E CA 1.109 57.319 56.400 -0.316 0.000 0.824 359 E CB -0.087 29.224 29.700 -0.648 0.000 0.756 359 E HN 0.115 nan 8.360 nan 0.000 0.477 360 S N -0.697 115.065 115.700 0.103 0.000 2.355 360 S HA -0.042 4.432 4.470 0.007 0.000 0.222 360 S C 1.817 176.546 174.600 0.216 0.000 1.031 360 S CA 0.995 59.433 58.200 0.397 0.000 0.993 360 S CB -0.267 63.222 63.200 0.483 0.000 0.859 360 S HN 0.385 nan 8.310 nan 0.000 0.453 361 L N 1.243 122.530 121.223 0.106 0.000 2.191 361 L HA -0.034 4.310 4.340 0.007 0.000 0.212 361 L C 2.823 179.671 176.870 -0.038 0.000 1.103 361 L CA 1.228 56.027 54.840 -0.068 0.000 0.769 361 L CB -0.476 41.427 42.059 -0.260 0.000 0.908 361 L HN 0.347 nan 8.230 nan 0.000 0.438 362 R N 0.775 121.318 120.500 0.071 0.000 2.066 362 R HA -0.135 4.209 4.340 0.007 0.000 0.232 362 R C 2.226 178.347 176.300 -0.298 0.000 1.131 362 R CA 1.402 57.502 56.100 0.001 0.000 0.955 362 R CB -0.129 30.067 30.300 -0.172 0.000 0.851 362 R HN 0.325 nan 8.270 nan 0.000 0.432 363 L N -0.624 120.341 121.223 -0.431 0.000 2.270 363 L HA -0.032 4.312 4.340 0.007 0.000 0.210 363 L C 0.424 176.715 176.870 -0.965 0.000 1.104 363 L CA 0.762 55.127 54.840 -0.791 0.000 0.804 363 L CB 0.226 41.664 42.059 -1.036 0.000 0.937 363 L HN 0.226 nan 8.230 nan 0.000 0.450 364 Y N -0.447 119.694 120.300 -0.266 0.000 2.473 364 Y HA 0.282 4.836 4.550 0.007 0.000 0.345 364 Y C -2.297 173.422 175.900 -0.302 0.000 0.932 364 Y CA -2.338 55.430 58.100 -0.553 0.000 1.124 364 Y CB 0.229 37.930 38.460 -1.265 0.000 1.162 364 Y HN -0.059 nan 8.280 nan 0.000 0.629 365 P HA 0.169 nan 4.420 nan 0.000 0.282 365 P C -2.498 174.844 177.300 0.071 0.000 1.262 365 P CA -1.583 61.484 63.100 -0.055 0.000 0.773 365 P CB 2.313 33.941 31.700 -0.120 0.000 0.879 366 P HA -0.063 nan 4.420 nan 0.000 0.218 366 P C 0.365 177.695 177.300 0.049 0.000 1.149 366 P CA 1.520 64.711 63.100 0.152 0.000 0.817 366 P CB 0.124 31.874 31.700 0.083 0.000 0.785 367 A N 0.082 122.857 122.820 -0.075 0.000 2.273 367 A HA 0.251 4.575 4.320 0.007 0.000 0.320 367 A C 0.807 178.304 177.584 -0.145 0.000 1.358 367 A CA -0.856 51.075 52.037 -0.177 0.000 0.910 367 A CB -0.109 18.752 19.000 -0.232 0.000 1.159 367 A HN 0.260 nan 8.150 nan 0.000 0.526 368 W N 2.746 124.034 121.300 -0.021 0.000 2.584 368 W HA 0.369 5.032 4.660 0.005 0.000 0.264 368 W C 0.213 176.730 176.519 -0.004 0.000 1.264 368 W CA 0.648 57.981 57.345 -0.020 0.000 1.306 368 W CB -0.298 29.134 29.460 -0.047 0.000 1.110 368 W HN 0.810 nan 8.180 nan 0.000 0.606 369 G N -0.332 108.286 108.800 -0.304 0.000 2.393 369 G HA2 0.374 4.338 3.960 0.007 0.000 0.264 369 G HA3 0.374 4.338 3.960 0.007 0.000 0.264 369 G C -1.392 173.317 174.900 -0.318 0.000 1.221 369 G CA 0.121 45.178 45.100 -0.072 0.000 0.912 369 G HN 0.111 nan 8.290 nan 0.000 0.483 370 T N -1.311 113.153 114.554 -0.151 0.000 2.769 370 T HA 0.684 5.038 4.350 0.007 0.000 0.306 370 T C -1.964 172.671 174.700 -0.108 0.000 1.400 370 T CA -0.505 61.542 62.100 -0.089 0.000 1.007 370 T CB 1.250 70.137 68.868 0.033 0.000 1.392 370 T HN 0.522 nan 8.240 nan 0.000 0.500 371 F N 1.699 121.802 119.950 0.255 0.000 2.522 371 F HA 0.812 5.341 4.527 0.004 0.000 0.324 371 F C 0.724 176.692 175.800 0.280 0.000 1.077 371 F CA -0.998 57.158 58.000 0.259 0.000 0.944 371 F CB 1.667 40.727 39.000 0.100 0.000 1.175 371 F HN 0.176 nan 8.300 nan 0.000 0.468 372 R N 1.745 122.522 120.500 0.462 0.000 2.744 372 R HA 0.462 4.806 4.340 0.007 0.000 0.279 372 R C -1.618 174.809 176.300 0.212 0.000 0.977 372 R CA -1.234 55.049 56.100 0.306 0.000 0.906 372 R CB 2.418 32.869 30.300 0.252 0.000 1.197 372 R HN 0.573 nan 8.270 nan 0.000 0.463 373 L N 3.082 124.418 121.223 0.189 0.000 2.313 373 L HA 0.273 4.617 4.340 0.007 0.000 0.282 373 L C -0.732 176.213 176.870 0.124 0.000 1.092 373 L CA -0.320 54.601 54.840 0.135 0.000 0.831 373 L CB 0.391 42.532 42.059 0.136 0.000 1.159 373 L HN 0.463 nan 8.230 nan 0.000 0.442 374 L N 5.628 126.872 121.223 0.035 0.000 2.260 374 L HA 0.343 4.687 4.340 0.007 0.000 0.289 374 L C 1.012 177.932 176.870 0.083 0.000 1.057 374 L CA 0.513 55.376 54.840 0.038 0.000 0.811 374 L CB 0.852 42.851 42.059 -0.099 0.000 1.184 374 L HN 0.870 nan 8.230 nan 0.000 0.429 375 E N 2.166 122.446 120.200 0.134 0.000 2.175 375 E HA 0.110 4.464 4.350 0.007 0.000 0.195 375 E C -0.311 176.338 176.600 0.082 0.000 0.934 375 E CA -0.237 56.219 56.400 0.094 0.000 0.870 375 E CB 0.009 29.761 29.700 0.088 0.000 0.838 375 E HN 0.488 nan 8.360 nan 0.000 0.474 376 E N 2.529 122.792 120.200 0.105 0.000 2.223 376 E HA 0.023 4.377 4.350 0.007 0.000 0.282 376 E C -0.501 176.155 176.600 0.093 0.000 1.046 376 E CA -0.051 56.403 56.400 0.090 0.000 0.857 376 E CB 1.059 30.814 29.700 0.092 0.000 1.055 376 E HN 0.267 nan 8.360 nan 0.000 0.409 377 E N 2.896 123.134 120.200 0.063 0.000 3.025 377 E HA -0.101 4.253 4.350 0.007 0.000 0.248 377 E C -0.762 175.881 176.600 0.072 0.000 0.938 377 E CA 0.715 57.147 56.400 0.053 0.000 0.958 377 E CB 0.387 30.108 29.700 0.036 0.000 0.898 377 E HN 0.250 nan 8.360 nan 0.000 0.537 378 T N 3.974 118.580 114.554 0.087 0.000 2.888 378 T HA 0.427 4.781 4.350 0.007 0.000 0.288 378 T C -0.826 173.925 174.700 0.085 0.000 1.063 378 T CA -0.798 61.368 62.100 0.109 0.000 1.010 378 T CB 1.025 70.009 68.868 0.193 0.000 1.214 378 T HN 0.410 nan 8.240 nan 0.000 0.533 379 L N 1.638 122.909 121.223 0.079 0.000 2.289 379 L HA 0.645 4.989 4.340 0.007 0.000 0.285 379 L C -1.256 175.662 176.870 0.080 0.000 1.049 379 L CA -0.351 54.525 54.840 0.059 0.000 0.804 379 L CB 0.418 42.500 42.059 0.039 0.000 1.195 379 L HN 0.530 nan 8.230 nan 0.000 0.428 380 I N 4.482 125.096 120.570 0.073 0.000 2.439 380 I HA 0.253 4.427 4.170 0.007 0.000 0.285 380 I C -0.554 175.597 176.117 0.057 0.000 1.021 380 I CA -0.751 60.605 61.300 0.093 0.000 1.091 380 I CB 1.491 39.560 38.000 0.115 0.000 1.242 380 I HN 0.579 nan 8.210 nan 0.000 0.439 381 D N 5.703 126.132 120.400 0.048 0.000 2.755 381 D HA -0.197 4.447 4.640 0.007 0.000 0.227 381 D C 1.104 177.422 176.300 0.029 0.000 1.211 381 D CA 1.507 55.529 54.000 0.037 0.000 0.663 381 D CB -0.577 40.251 40.800 0.047 0.000 0.983 381 D HN 1.175 nan 8.370 nan 0.000 0.407 382 G N -1.192 107.623 108.800 0.024 0.000 2.221 382 G HA2 -0.234 3.730 3.960 0.007 0.000 0.265 382 G HA3 -0.234 3.730 3.960 0.007 0.000 0.265 382 G C 0.171 175.080 174.900 0.016 0.000 1.041 382 G CA 0.304 45.415 45.100 0.018 0.000 0.807 382 G HN 0.624 nan 8.290 nan 0.000 0.502 383 V N -0.227 119.699 119.914 0.019 0.000 2.623 383 V HA 0.478 4.602 4.120 0.007 0.000 0.304 383 V C 0.530 176.633 176.094 0.015 0.000 1.054 383 V CA -1.126 61.181 62.300 0.012 0.000 0.882 383 V CB 1.865 33.693 31.823 0.007 0.000 1.002 383 V HN 0.473 nan 8.190 nan 0.000 0.424 384 R N 3.295 123.800 120.500 0.009 0.000 2.316 384 R HA 0.559 4.903 4.340 0.007 0.000 0.314 384 R C -1.187 175.116 176.300 0.005 0.000 1.069 384 R CA -0.124 55.984 56.100 0.013 0.000 0.959 384 R CB 0.960 31.265 30.300 0.009 0.000 0.987 384 R HN 0.558 nan 8.270 nan 0.000 0.446 385 V N 8.046 127.967 119.914 0.012 0.000 2.417 385 V HA 0.356 4.480 4.120 0.007 0.000 0.291 385 V C -1.868 174.228 176.094 0.003 0.000 1.024 385 V CA -2.015 60.282 62.300 -0.005 0.000 0.861 385 V CB 1.528 33.339 31.823 -0.021 0.000 0.985 385 V HN 0.856 nan 8.190 nan 0.000 0.436 386 P HA 0.100 nan 4.420 nan 0.000 0.269 386 P C 0.429 177.734 177.300 0.009 0.000 1.209 386 P CA 0.302 63.404 63.100 0.004 0.000 0.776 386 P CB 0.893 32.591 31.700 -0.003 0.000 0.876 387 G N 2.095 110.908 108.800 0.021 0.000 2.750 387 G HA2 -0.090 3.874 3.960 0.007 0.000 0.250 387 G HA3 -0.090 3.874 3.960 0.007 0.000 0.250 387 G C 0.452 175.366 174.900 0.023 0.000 1.230 387 G CA -0.032 45.086 45.100 0.031 0.000 0.883 387 G HN 0.806 nan 8.290 nan 0.000 0.573 388 N N -1.640 117.079 118.700 0.032 0.000 2.714 388 N HA -0.181 4.563 4.740 0.007 0.000 0.252 388 N C -0.236 175.285 175.510 0.018 0.000 1.014 388 N CA 1.281 54.349 53.050 0.030 0.000 0.735 388 N CB -1.045 37.458 38.487 0.027 0.000 0.924 388 N HN 0.568 nan 8.380 nan 0.000 0.540 389 T N 1.052 115.612 114.554 0.010 0.000 2.807 389 T HA 0.484 4.838 4.350 0.007 0.000 0.279 389 T C -2.672 172.026 174.700 -0.002 0.000 0.993 389 T CA -1.187 60.910 62.100 -0.006 0.000 0.970 389 T CB 2.083 70.933 68.868 -0.031 0.000 0.950 389 T HN -0.050 nan 8.240 nan 0.000 0.441 390 P HA 0.284 nan 4.420 nan 0.000 0.282 390 P C -0.752 176.584 177.300 0.061 0.000 1.274 390 P CA -0.271 62.875 63.100 0.076 0.000 0.770 390 P CB 0.386 32.124 31.700 0.064 0.000 0.867 391 L N 4.357 125.592 121.223 0.019 0.000 2.289 391 L HA 0.446 4.790 4.340 0.007 0.000 0.285 391 L C 0.299 177.044 176.870 -0.209 0.000 1.049 391 L CA -0.671 54.041 54.840 -0.213 0.000 0.804 391 L CB 0.951 42.739 42.059 -0.452 0.000 1.195 391 L HN 0.261 nan 8.230 nan 0.000 0.428 392 L N 3.659 124.637 121.223 -0.409 0.000 2.282 392 L HA 0.542 4.886 4.340 0.007 0.000 0.288 392 L C -1.259 175.258 176.870 -0.587 0.000 1.033 392 L CA -0.243 54.336 54.840 -0.436 0.000 0.807 392 L CB 0.951 42.850 42.059 -0.268 0.000 1.209 392 L HN 0.358 nan 8.230 nan 0.000 0.423 393 F N 3.140 123.047 119.950 -0.071 0.000 2.482 393 F HA 0.449 4.977 4.527 0.002 0.000 0.331 393 F C 0.274 176.262 175.800 0.314 0.000 1.115 393 F CA -0.549 57.530 58.000 0.133 0.000 0.955 393 F CB 2.117 41.162 39.000 0.075 0.000 1.136 393 F HN 0.328 nan 8.300 nan 0.000 0.452 394 S N 1.562 117.574 115.700 0.520 0.000 2.756 394 S HA 0.202 4.676 4.470 0.007 0.000 0.303 394 S C 0.512 175.198 174.600 0.143 0.000 1.135 394 S CA -0.390 58.056 58.200 0.410 0.000 1.066 394 S CB 1.403 64.802 63.200 0.332 0.000 1.008 394 S HN 0.798 nan 8.310 nan 0.000 0.482 395 T N 3.618 118.020 114.554 -0.253 0.000 2.985 395 T HA -0.060 4.294 4.350 0.007 0.000 0.266 395 T C 1.383 175.967 174.700 -0.194 0.000 1.076 395 T CA 1.342 63.017 62.100 -0.708 0.000 1.135 395 T CB -0.424 67.754 68.868 -1.151 0.000 0.890 395 T HN 0.750 nan 8.240 nan 0.000 0.480 396 Y N 1.296 121.532 120.300 -0.106 0.000 2.145 396 Y HA -0.105 4.449 4.550 0.006 0.000 0.286 396 Y C 2.223 178.101 175.900 -0.037 0.000 1.145 396 Y CA 1.508 59.569 58.100 -0.064 0.000 1.148 396 Y CB -0.552 37.907 38.460 -0.002 0.000 0.981 396 Y HN 0.040 nan 8.280 nan 0.000 0.507 397 V N 0.660 120.702 119.914 0.214 0.000 2.295 397 V HA -0.378 3.746 4.120 0.007 0.000 0.246 397 V C 2.374 178.538 176.094 0.116 0.000 1.049 397 V CA 2.440 64.835 62.300 0.160 0.000 1.024 397 V CB -0.645 31.304 31.823 0.209 0.000 0.648 397 V HN 0.491 nan 8.190 nan 0.000 0.447 398 M N 0.234 119.937 119.600 0.172 0.000 2.159 398 M HA -0.070 4.413 4.480 0.007 0.000 0.263 398 M C 2.247 178.770 176.300 0.373 0.000 1.063 398 M CA 1.917 57.411 55.300 0.324 0.000 1.110 398 M CB -0.894 31.878 32.600 0.288 0.000 1.374 398 M HN 0.483 nan 8.290 nan 0.000 0.411 399 G N 0.322 109.197 108.800 0.125 0.000 2.501 399 G HA2 -0.189 3.775 3.960 0.007 0.000 0.220 399 G HA3 -0.189 3.775 3.960 0.007 0.000 0.220 399 G C 1.543 176.369 174.900 -0.123 0.000 1.114 399 G CA 0.609 45.664 45.100 -0.075 0.000 0.757 399 G HN 0.441 nan 8.290 nan 0.000 0.559 400 R N -0.944 119.502 120.500 -0.090 0.000 2.509 400 R HA 0.354 4.698 4.340 0.007 0.000 0.300 400 R C 0.151 176.440 176.300 -0.018 0.000 0.985 400 R CA -0.262 55.758 56.100 -0.133 0.000 1.092 400 R CB 0.452 30.574 30.300 -0.297 0.000 1.237 400 R HN 0.284 nan 8.270 nan 0.000 0.546 401 M N 2.079 121.732 119.600 0.088 0.000 2.108 401 M HA 0.046 4.530 4.480 0.007 0.000 0.354 401 M C 0.469 176.746 176.300 -0.040 0.000 1.229 401 M CA -0.369 54.929 55.300 -0.004 0.000 1.081 401 M CB 1.354 33.914 32.600 -0.066 0.000 1.606 401 M HN 0.059 nan 8.290 nan 0.000 0.467 402 D N 1.014 121.368 120.400 -0.076 0.000 2.265 402 D HA -0.159 4.485 4.640 0.007 0.000 0.208 402 D C 1.186 177.394 176.300 -0.154 0.000 0.977 402 D CA 1.576 55.531 54.000 -0.076 0.000 0.871 402 D CB -0.646 40.113 40.800 -0.069 0.000 0.925 402 D HN 0.512 nan 8.370 nan 0.000 0.485 403 T N -0.448 113.921 114.554 -0.308 0.000 2.788 403 T HA -0.150 4.204 4.350 0.007 0.000 0.268 403 T C 1.083 175.522 174.700 -0.435 0.000 1.044 403 T CA 1.269 63.100 62.100 -0.449 0.000 1.139 403 T CB -0.291 68.113 68.868 -0.773 0.000 0.867 403 T HN 0.275 nan 8.240 nan 0.000 0.454 404 Y N -1.084 119.134 120.300 -0.137 0.000 2.524 404 Y HA 0.454 5.008 4.550 0.007 0.000 0.270 404 Y C 0.166 175.636 175.900 -0.717 0.000 1.094 404 Y CA -1.433 56.427 58.100 -0.399 0.000 1.276 404 Y CB 0.282 38.490 38.460 -0.421 0.000 1.130 404 Y HN 0.093 nan 8.280 nan 0.000 0.536 405 F N 0.668 120.640 119.950 0.037 0.000 2.536 405 F HA 0.311 4.842 4.527 0.007 0.000 0.322 405 F C 0.074 175.831 175.800 -0.072 0.000 1.144 405 F CA -1.820 56.154 58.000 -0.042 0.000 0.924 405 F CB 1.302 40.262 39.000 -0.068 0.000 1.181 405 F HN -0.236 nan 8.300 nan 0.000 0.438 406 E N 2.408 122.651 120.200 0.071 0.000 2.415 406 E HA -0.001 4.353 4.350 0.007 0.000 0.263 406 E C -0.210 176.401 176.600 0.017 0.000 0.995 406 E CA 0.127 56.536 56.400 0.015 0.000 0.915 406 E CB 0.424 30.117 29.700 -0.011 0.000 0.951 406 E HN 0.668 nan 8.360 nan 0.000 0.449 407 D N 4.670 125.068 120.400 -0.003 0.000 2.803 407 D HA -0.147 4.497 4.640 0.007 0.000 0.233 407 D C -1.591 174.696 176.300 -0.022 0.000 1.182 407 D CA 0.575 54.566 54.000 -0.015 0.000 0.726 407 D CB 0.012 40.802 40.800 -0.017 0.000 0.987 407 D HN 0.415 nan 8.370 nan 0.000 0.412 408 P HA -0.201 nan 4.420 nan 0.000 0.216 408 P C 1.953 179.189 177.300 -0.106 0.000 1.150 408 P CA 0.969 64.036 63.100 -0.055 0.000 0.843 408 P CB 0.015 31.696 31.700 -0.031 0.000 0.787 409 L N -0.981 120.195 121.223 -0.079 0.000 2.465 409 L HA 0.025 4.369 4.340 0.007 0.000 0.224 409 L C 0.902 177.748 176.870 -0.041 0.000 1.145 409 L CA 0.560 55.355 54.840 -0.077 0.000 0.834 409 L CB -1.132 40.895 42.059 -0.054 0.000 0.944 409 L HN -0.068 nan 8.230 nan 0.000 0.451 410 T N 0.673 115.208 114.554 -0.032 0.000 2.794 410 T HA 0.105 4.459 4.350 0.007 0.000 0.296 410 T C -0.390 174.323 174.700 0.023 0.000 0.949 410 T CA -0.215 61.891 62.100 0.010 0.000 1.101 410 T CB 0.415 69.282 68.868 -0.001 0.000 0.905 410 T HN -0.031 nan 8.240 nan 0.000 0.516 411 F N 5.271 125.189 119.950 -0.054 0.000 2.434 411 F HA 0.381 4.913 4.527 0.007 0.000 0.358 411 F C 0.341 176.135 175.800 -0.010 0.000 1.136 411 F CA -0.676 57.302 58.000 -0.037 0.000 1.157 411 F CB 0.110 39.113 39.000 0.006 0.000 1.167 411 F HN 0.409 nan 8.300 nan 0.000 0.539 412 N N 8.023 126.520 118.700 -0.339 0.000 2.577 412 N HA 0.379 5.123 4.740 0.007 0.000 0.275 412 N C -2.460 172.908 175.510 -0.238 0.000 1.091 412 N CA -2.322 50.617 53.050 -0.185 0.000 0.843 412 N CB 1.856 40.296 38.487 -0.079 0.000 1.295 412 N HN 0.154 nan 8.380 nan 0.000 0.530 413 P HA -0.057 nan 4.420 nan 0.000 0.219 413 P C 0.343 177.678 177.300 0.058 0.000 1.146 413 P CA 0.903 63.939 63.100 -0.106 0.000 0.808 413 P CB 0.365 31.994 31.700 -0.119 0.000 0.779 414 D N -0.785 119.660 120.400 0.074 0.000 2.265 414 D HA -0.137 4.507 4.640 0.007 0.000 0.208 414 D C 1.786 178.069 176.300 -0.028 0.000 0.977 414 D CA 0.766 54.805 54.000 0.065 0.000 0.871 414 D CB -0.383 40.447 40.800 0.051 0.000 0.925 414 D HN 0.249 nan 8.370 nan 0.000 0.485 415 R N -0.392 120.033 120.500 -0.125 0.000 2.170 415 R HA -0.127 4.217 4.340 0.007 0.000 0.242 415 R C 1.006 176.998 176.300 -0.514 0.000 1.145 415 R CA 0.819 56.711 56.100 -0.346 0.000 0.984 415 R CB -0.189 29.777 30.300 -0.555 0.000 0.869 415 R HN 0.232 nan 8.270 nan 0.000 0.455 416 F N -0.416 119.474 119.950 -0.099 0.000 2.698 416 F HA 0.295 4.825 4.527 0.006 0.000 0.304 416 F C 1.319 177.101 175.800 -0.031 0.000 1.108 416 F CA -0.602 57.346 58.000 -0.087 0.000 1.263 416 F CB 0.514 39.435 39.000 -0.132 0.000 1.013 416 F HN -0.084 nan 8.300 nan 0.000 0.532 417 G N 1.943 110.803 108.800 0.100 0.000 2.594 417 G HA2 0.251 4.215 3.960 0.007 0.000 0.243 417 G HA3 0.251 4.215 3.960 0.007 0.000 0.243 417 G C -2.279 172.663 174.900 0.069 0.000 1.229 417 G CA -0.954 44.206 45.100 0.099 0.000 0.843 417 G HN -0.069 nan 8.290 nan 0.000 0.578 418 P HA 0.145 nan 4.420 nan 0.000 0.267 418 P C 0.864 178.182 177.300 0.029 0.000 1.205 418 P CA 1.146 64.275 63.100 0.049 0.000 0.765 418 P CB 1.047 32.776 31.700 0.047 0.000 0.828 419 G N 2.127 110.940 108.800 0.021 0.000 2.232 419 G HA2 -0.161 3.803 3.960 0.007 0.000 0.226 419 G HA3 -0.161 3.803 3.960 0.007 0.000 0.226 419 G C 0.324 175.222 174.900 -0.004 0.000 0.996 419 G CA 0.043 45.149 45.100 0.009 0.000 0.626 419 G HN 0.885 nan 8.290 nan 0.000 0.509 420 A N 1.124 123.937 122.820 -0.011 0.000 2.401 420 A HA 0.670 4.994 4.320 0.007 0.000 0.259 420 A C -1.508 176.051 177.584 -0.043 0.000 1.103 420 A CA -0.660 51.352 52.037 -0.042 0.000 0.789 420 A CB 0.026 18.980 19.000 -0.078 0.000 1.035 420 A HN 0.190 nan 8.150 nan 0.000 0.491 421 P HA 0.109 nan 4.420 nan 0.000 0.264 421 P C -0.423 176.843 177.300 -0.057 0.000 1.193 421 P CA 0.201 63.276 63.100 -0.043 0.000 0.763 421 P CB 0.445 32.116 31.700 -0.049 0.000 0.810 422 K N 4.564 124.950 120.400 -0.025 0.000 2.436 422 K HA 0.151 4.475 4.320 0.007 0.000 0.275 422 K C -2.014 174.570 176.600 -0.028 0.000 0.999 422 K CA -1.179 55.106 56.287 -0.004 0.000 0.980 422 K CB -0.509 32.009 32.500 0.029 0.000 0.919 422 K HN 0.368 nan 8.250 nan 0.000 0.484 423 P HA -0.020 nan 4.420 nan 0.000 0.266 423 P C -0.854 176.441 177.300 -0.009 0.000 1.195 423 P CA 0.136 63.231 63.100 -0.009 0.000 0.768 423 P CB 0.485 32.284 31.700 0.166 0.000 0.838 424 R N 3.475 123.952 120.500 -0.039 0.000 2.287 424 R HA 0.276 4.620 4.340 0.007 0.000 0.316 424 R C -0.417 175.943 176.300 0.101 0.000 1.050 424 R CA -0.511 55.573 56.100 -0.027 0.000 0.983 424 R CB -0.698 29.627 30.300 0.042 0.000 1.140 424 R HN 0.461 nan 8.270 nan 0.000 0.528 425 F N 0.959 120.950 119.950 0.069 0.000 3.084 425 F HA -0.305 4.230 4.527 0.014 0.000 0.286 425 F C 1.068 176.946 175.800 0.131 0.000 0.855 425 F CA 1.469 59.517 58.000 0.079 0.000 1.091 425 F CB -1.593 37.397 39.000 -0.015 0.000 1.177 425 F HN 0.585 nan 8.300 nan 0.000 0.542 426 T N -4.223 110.482 114.554 0.252 0.000 3.091 426 T HA 0.322 4.676 4.350 0.007 0.000 0.277 426 T C -0.491 174.465 174.700 0.427 0.000 0.996 426 T CA -0.113 62.088 62.100 0.169 0.000 0.897 426 T CB 0.310 69.045 68.868 -0.221 0.000 1.109 426 T HN 0.317 nan 8.240 nan 0.000 0.534 427 Y N 1.897 122.378 120.300 0.301 0.000 2.298 427 Y HA 0.511 5.065 4.550 0.006 0.000 0.322 427 Y C -2.090 173.937 175.900 0.211 0.000 1.138 427 Y CA -2.713 55.484 58.100 0.161 0.000 1.127 427 Y CB 1.006 39.644 38.460 0.295 0.000 1.178 427 Y HN 0.273 nan 8.280 nan 0.000 0.428 428 F N 6.763 126.515 119.950 -0.330 0.000 2.824 428 F HA 0.469 5.002 4.527 0.010 0.000 0.368 428 F C -2.557 173.019 175.800 -0.372 0.000 1.398 428 F CA -1.843 55.974 58.000 -0.305 0.000 1.142 428 F CB 0.549 39.493 39.000 -0.092 0.000 1.997 428 F HN 0.129 nan 8.300 nan 0.000 0.598 429 P HA -0.095 nan 4.420 nan 0.000 0.225 429 P C 0.485 177.402 177.300 -0.639 0.000 1.148 429 P CA 1.218 63.921 63.100 -0.662 0.000 0.779 429 P CB 0.003 31.192 31.700 -0.852 0.000 0.780 430 F N -0.570 119.278 119.950 -0.171 0.000 2.668 430 F HA 0.312 4.843 4.527 0.006 0.000 0.301 430 F C 1.386 177.145 175.800 -0.067 0.000 1.106 430 F CA -0.122 57.807 58.000 -0.118 0.000 1.289 430 F CB -0.276 38.656 39.000 -0.113 0.000 1.006 430 F HN -0.109 nan 8.300 nan 0.000 0.535 431 S N 0.323 116.101 115.700 0.130 0.000 3.460 431 S HA -0.187 4.287 4.470 0.007 0.000 0.637 431 S C -0.709 173.919 174.600 0.046 0.000 2.505 431 S CA 0.236 58.506 58.200 0.118 0.000 2.686 431 S CB -0.659 62.533 63.200 -0.013 0.000 0.330 431 S HN 0.263 nan 8.310 nan 0.000 1.795 432 L N 0.783 121.953 121.223 -0.088 0.000 2.409 432 L HA 0.705 5.049 4.340 0.007 0.000 0.255 432 L C 0.929 177.746 176.870 -0.088 0.000 1.027 432 L CA -0.151 54.645 54.840 -0.073 0.000 0.834 432 L CB 1.598 43.602 42.059 -0.093 0.000 1.426 432 L HN 1.655 nan 8.230 nan 0.000 0.411 433 G N 0.417 109.214 108.800 -0.005 0.000 2.598 433 G HA2 -0.287 3.677 3.960 0.007 0.000 0.244 433 G HA3 -0.287 3.677 3.960 0.007 0.000 0.244 433 G C 0.619 175.545 174.900 0.044 0.000 1.302 433 G CA 0.442 45.571 45.100 0.048 0.000 0.903 433 G HN 1.061 nan 8.290 nan 0.000 0.575 434 H N 0.747 119.838 119.070 0.035 0.000 2.457 434 H HA 0.059 4.619 4.556 0.006 0.000 0.294 434 H C 1.957 177.262 175.328 -0.039 0.000 1.064 434 H CA 1.508 57.611 56.048 0.091 0.000 1.330 434 H CB -0.088 29.790 29.762 0.194 0.000 1.395 434 H HN 0.385 nan 8.280 nan 0.000 0.541 435 R N 2.266 122.309 120.500 -0.761 0.000 2.391 435 R HA 0.107 4.451 4.340 0.007 0.000 0.249 435 R C 0.628 176.762 176.300 -0.275 0.000 0.957 435 R CA 0.334 56.066 56.100 -0.614 0.000 1.093 435 R CB -0.344 29.473 30.300 -0.807 0.000 1.156 435 R HN 0.473 nan 8.270 nan 0.000 0.526 436 S N -0.404 115.205 115.700 -0.151 0.000 2.589 436 S HA -0.016 4.458 4.470 0.007 0.000 0.265 436 S C 0.733 175.299 174.600 -0.056 0.000 1.342 436 S CA -0.743 57.414 58.200 -0.072 0.000 1.005 436 S CB 1.041 64.227 63.200 -0.025 0.000 0.909 436 S HN 0.350 nan 8.310 nan 0.000 0.555 437 C N 3.114 122.400 119.300 -0.025 0.000 2.648 437 C HA 0.159 4.623 4.460 0.007 0.000 0.406 437 C C 1.779 176.678 174.990 -0.152 0.000 1.406 437 C CA -0.443 58.543 59.018 -0.054 0.000 1.610 437 C CB -2.138 25.669 27.740 0.111 0.000 2.451 437 C HN 0.949 nan 8.230 nan 0.000 0.608 438 I N 4.602 125.027 120.570 -0.242 0.000 2.676 438 I HA 0.060 4.234 4.170 0.007 0.000 0.259 438 I C 1.919 177.639 176.117 -0.661 0.000 1.194 438 I CA 1.693 62.740 61.300 -0.422 0.000 1.473 438 I CB -0.042 37.666 38.000 -0.486 0.000 1.096 438 I HN 0.901 nan 8.210 nan 0.000 0.443 439 G N -0.159 108.374 108.800 -0.445 0.000 3.284 439 G HA2 -0.052 3.912 3.960 0.007 0.000 0.236 439 G HA3 -0.052 3.912 3.960 0.007 0.000 0.236 439 G C 1.182 176.042 174.900 -0.067 0.000 1.158 439 G CA -0.126 44.821 45.100 -0.256 0.000 0.774 439 G HN 0.418 nan 8.290 nan 0.000 0.545 440 Q N 0.130 119.794 119.800 -0.227 0.000 2.029 440 Q HA -0.284 4.060 4.340 0.007 0.000 0.209 440 Q C 2.401 178.216 176.000 -0.309 0.000 0.999 440 Q CA 2.226 57.696 55.803 -0.554 0.000 0.857 440 Q CB 0.021 28.250 28.738 -0.848 0.000 0.926 440 Q HN 0.468 nan 8.270 nan 0.000 0.415 441 Q N -0.228 119.511 119.800 -0.102 0.000 2.119 441 Q HA -0.113 4.231 4.340 0.007 0.000 0.201 441 Q C 1.694 177.815 176.000 0.201 0.000 0.972 441 Q CA 1.638 57.460 55.803 0.031 0.000 0.847 441 Q CB -0.481 28.313 28.738 0.094 0.000 0.903 441 Q HN 0.487 nan 8.270 nan 0.000 0.433 442 F N 0.864 120.909 119.950 0.158 0.000 2.065 442 F HA -0.329 4.202 4.527 0.007 0.000 0.298 442 F C 2.030 177.916 175.800 0.142 0.000 1.112 442 F CA 1.451 59.617 58.000 0.277 0.000 1.212 442 F CB -0.155 39.084 39.000 0.398 0.000 0.975 442 F HN 0.124 nan 8.300 nan 0.000 0.476 443 A N -0.168 122.958 122.820 0.511 0.000 1.898 443 A HA -0.194 4.130 4.320 0.007 0.000 0.216 443 A C 2.051 179.743 177.584 0.180 0.000 1.181 443 A CA 1.590 53.831 52.037 0.340 0.000 0.620 443 A CB -0.800 18.398 19.000 0.330 0.000 0.819 443 A HN 0.620 nan 8.150 nan 0.000 0.442 444 Q N -0.859 119.013 119.800 0.120 0.000 2.124 444 Q HA -0.139 4.205 4.340 0.007 0.000 0.202 444 Q C 2.161 178.174 176.000 0.023 0.000 0.977 444 Q CA 1.651 57.499 55.803 0.076 0.000 0.850 444 Q CB -0.315 28.427 28.738 0.007 0.000 0.901 444 Q HN 0.724 nan 8.270 nan 0.000 0.429 445 M N 0.437 120.052 119.600 0.025 0.000 2.066 445 M HA -0.208 4.276 4.480 0.007 0.000 0.259 445 M C 2.261 178.457 176.300 -0.173 0.000 1.074 445 M CA 1.614 56.924 55.300 0.016 0.000 1.114 445 M CB -0.436 32.298 32.600 0.223 0.000 1.306 445 M HN 0.193 nan 8.290 nan 0.000 0.411 446 E N 0.525 120.361 120.200 -0.607 0.000 2.068 446 E HA -0.249 4.105 4.350 0.007 0.000 0.207 446 E C 1.821 178.215 176.600 -0.343 0.000 1.032 446 E CA 2.310 58.135 56.400 -0.958 0.000 0.839 446 E CB -0.132 29.023 29.700 -0.908 0.000 0.758 446 E HN 0.276 nan 8.360 nan 0.000 0.457 447 V N 1.051 120.874 119.914 -0.152 0.000 2.392 447 V HA -0.278 3.846 4.120 0.007 0.000 0.249 447 V C 2.353 178.410 176.094 -0.061 0.000 1.059 447 V CA 2.289 64.551 62.300 -0.063 0.000 1.051 447 V CB -0.486 31.372 31.823 0.058 0.000 0.658 447 V HN 0.282 nan 8.190 nan 0.000 0.455 448 K N -0.431 119.941 120.400 -0.047 0.000 2.057 448 K HA -0.117 4.207 4.320 0.007 0.000 0.206 448 K C 2.065 178.649 176.600 -0.027 0.000 1.050 448 K CA 1.369 57.637 56.287 -0.032 0.000 0.935 448 K CB -0.389 32.094 32.500 -0.028 0.000 0.715 448 K HN 0.344 nan 8.250 nan 0.000 0.439 449 V N 1.130 121.022 119.914 -0.037 0.000 2.261 449 V HA -0.245 3.879 4.120 0.007 0.000 0.246 449 V C 2.308 178.401 176.094 -0.001 0.000 1.047 449 V CA 1.621 63.920 62.300 -0.002 0.000 1.015 449 V CB -0.430 31.410 31.823 0.028 0.000 0.642 449 V HN 0.080 nan 8.190 nan 0.000 0.446 450 V N -0.603 119.289 119.914 -0.036 0.000 2.261 450 V HA -0.302 3.822 4.120 0.007 0.000 0.246 450 V C 2.536 178.625 176.094 -0.009 0.000 1.047 450 V CA 2.069 64.359 62.300 -0.017 0.000 1.015 450 V CB -0.659 31.138 31.823 -0.044 0.000 0.642 450 V HN 0.398 nan 8.190 nan 0.000 0.446 451 M N -0.095 119.484 119.600 -0.035 0.000 2.108 451 M HA -0.145 4.339 4.480 0.007 0.000 0.261 451 M C 2.421 178.728 176.300 0.013 0.000 1.066 451 M CA 2.239 57.520 55.300 -0.032 0.000 1.107 451 M CB -1.594 30.972 32.600 -0.057 0.000 1.356 451 M HN 0.424 nan 8.290 nan 0.000 0.406 452 A N 0.561 123.394 122.820 0.021 0.000 1.883 452 A HA -0.196 4.128 4.320 0.007 0.000 0.217 452 A C 2.283 179.905 177.584 0.063 0.000 1.186 452 A CA 1.812 53.875 52.037 0.043 0.000 0.624 452 A CB -0.586 18.438 19.000 0.040 0.000 0.822 452 A HN 0.497 nan 8.150 nan 0.000 0.444 453 K N -0.356 120.085 120.400 0.068 0.000 2.097 453 K HA -0.034 4.290 4.320 0.007 0.000 0.206 453 K C 1.906 178.568 176.600 0.104 0.000 1.049 453 K CA 1.239 57.578 56.287 0.087 0.000 0.933 453 K CB -0.414 32.144 32.500 0.097 0.000 0.717 453 K HN 0.491 nan 8.250 nan 0.000 0.442 454 L N 0.886 122.178 121.223 0.116 0.000 1.994 454 L HA -0.206 4.138 4.340 0.007 0.000 0.208 454 L C 2.425 179.414 176.870 0.199 0.000 1.071 454 L CA 1.248 56.207 54.840 0.199 0.000 0.745 454 L CB -0.629 41.548 42.059 0.197 0.000 0.892 454 L HN 0.158 nan 8.230 nan 0.000 0.431 455 L N -0.500 120.805 121.223 0.136 0.000 2.079 455 L HA -0.258 4.086 4.340 0.007 0.000 0.210 455 L C 2.740 179.671 176.870 0.101 0.000 1.081 455 L CA 1.269 56.183 54.840 0.122 0.000 0.752 455 L CB -0.524 41.589 42.059 0.090 0.000 0.896 455 L HN 0.403 nan 8.230 nan 0.000 0.433 456 Q N -0.183 119.669 119.800 0.087 0.000 2.170 456 Q HA -0.172 4.172 4.340 0.007 0.000 0.203 456 Q C 1.971 178.006 176.000 0.059 0.000 0.976 456 Q CA 1.291 57.135 55.803 0.069 0.000 0.858 456 Q CB 0.287 29.065 28.738 0.066 0.000 0.907 456 Q HN 0.397 nan 8.270 nan 0.000 0.433 457 R N -1.419 119.120 120.500 0.065 0.000 2.435 457 R HA 0.340 4.684 4.340 0.007 0.000 0.221 457 R C 0.121 176.423 176.300 0.004 0.000 0.885 457 R CA 0.155 56.277 56.100 0.036 0.000 1.018 457 R CB 0.951 31.274 30.300 0.039 0.000 1.259 457 R HN 0.153 nan 8.270 nan 0.000 0.597 458 L N 0.829 122.061 121.223 0.014 0.000 2.350 458 L HA 0.466 4.810 4.340 0.007 0.000 0.260 458 L C -0.670 176.149 176.870 -0.086 0.000 1.015 458 L CA -0.839 53.929 54.840 -0.119 0.000 0.821 458 L CB 2.661 44.537 42.059 -0.304 0.000 1.370 458 L HN -0.156 nan 8.230 nan 0.000 0.416 459 E N 1.042 121.114 120.200 -0.214 0.000 2.222 459 E HA 0.515 4.869 4.350 0.007 0.000 0.267 459 E C -1.769 174.685 176.600 -0.244 0.000 0.884 459 E CA -0.577 55.779 56.400 -0.073 0.000 0.764 459 E CB 2.559 32.254 29.700 -0.009 0.000 1.169 459 E HN 0.196 nan 8.360 nan 0.000 0.413 460 F N 1.670 121.622 119.950 0.002 0.000 2.449 460 F HA 0.436 4.967 4.527 0.007 0.000 0.342 460 F C 0.394 176.192 175.800 -0.003 0.000 1.127 460 F CA -0.738 57.258 58.000 -0.006 0.000 0.975 460 F CB 1.291 40.281 39.000 -0.017 0.000 1.146 460 F HN 0.094 nan 8.300 nan 0.000 0.444 461 R N 2.468 123.045 120.500 0.129 0.000 2.589 461 R HA 0.602 4.946 4.340 0.007 0.000 0.293 461 R C -1.255 175.089 176.300 0.073 0.000 0.963 461 R CA -1.251 54.905 56.100 0.092 0.000 0.905 461 R CB 2.227 32.558 30.300 0.053 0.000 1.144 461 R HN 0.491 nan 8.270 nan 0.000 0.459 462 L N 2.955 124.209 121.223 0.052 0.000 2.326 462 L HA 0.264 4.608 4.340 0.007 0.000 0.278 462 L C -0.361 176.506 176.870 -0.005 0.000 1.092 462 L CA -0.174 54.664 54.840 -0.003 0.000 0.810 462 L CB 1.595 43.617 42.059 -0.063 0.000 1.153 462 L HN 0.381 nan 8.230 nan 0.000 0.439 463 V N 7.672 127.572 119.914 -0.023 0.000 2.614 463 V HA 0.333 4.457 4.120 0.007 0.000 0.291 463 V C -1.947 174.136 176.094 -0.018 0.000 1.049 463 V CA -1.557 60.735 62.300 -0.014 0.000 1.038 463 V CB 0.827 32.641 31.823 -0.015 0.000 0.980 463 V HN 0.822 nan 8.190 nan 0.000 0.481 464 P HA 0.233 nan 4.420 nan 0.000 0.264 464 P C 0.680 177.979 177.300 -0.002 0.000 1.183 464 P CA 1.632 64.737 63.100 0.008 0.000 0.763 464 P CB 0.567 32.274 31.700 0.012 0.000 0.807 465 G N 1.303 110.105 108.800 0.004 0.000 2.176 465 G HA2 -0.200 3.764 3.960 0.007 0.000 0.253 465 G HA3 -0.200 3.764 3.960 0.007 0.000 0.253 465 G C 0.021 174.905 174.900 -0.027 0.000 0.979 465 G CA -0.454 44.644 45.100 -0.003 0.000 0.641 465 G HN 0.523 nan 8.290 nan 0.000 0.530 466 Q N 0.882 120.648 119.800 -0.057 0.000 2.307 466 Q HA 0.379 4.723 4.340 0.007 0.000 0.259 466 Q C 0.681 176.594 176.000 -0.145 0.000 0.998 466 Q CA -0.032 55.698 55.803 -0.121 0.000 0.923 466 Q CB 0.739 29.367 28.738 -0.183 0.000 1.196 466 Q HN 0.540 nan 8.270 nan 0.000 0.416 467 R N 2.087 122.526 120.500 -0.101 0.000 2.340 467 R HA 0.274 4.618 4.340 0.007 0.000 0.300 467 R C -0.191 176.042 176.300 -0.111 0.000 1.069 467 R CA -0.208 55.875 56.100 -0.028 0.000 0.984 467 R CB 0.485 30.795 30.300 0.017 0.000 1.003 467 R HN 0.362 nan 8.270 nan 0.000 0.459 468 F N 1.217 121.164 119.950 -0.005 0.000 2.471 468 F HA 0.408 4.939 4.527 0.006 0.000 0.353 468 F C 1.476 177.292 175.800 0.028 0.000 1.113 468 F CA 1.152 59.151 58.000 -0.002 0.000 1.262 468 F CB 1.182 40.184 39.000 0.003 0.000 1.146 468 F HN 0.697 nan 8.300 nan 0.000 0.578 469 G N 1.883 110.808 108.800 0.208 0.000 2.369 469 G HA2 0.308 4.272 3.960 0.007 0.000 0.307 469 G HA3 0.308 4.272 3.960 0.007 0.000 0.307 469 G C -2.449 172.560 174.900 0.182 0.000 1.327 469 G CA -1.033 44.176 45.100 0.181 0.000 0.963 469 G HN 0.805 nan 8.290 nan 0.000 0.590 470 L N -0.089 121.237 121.223 0.173 0.000 2.466 470 L HA 0.852 5.196 4.340 0.007 0.000 0.258 470 L C -0.740 176.197 176.870 0.112 0.000 0.973 470 L CA -0.827 54.146 54.840 0.222 0.000 0.826 470 L CB 2.180 44.416 42.059 0.296 0.000 1.372 470 L HN 1.044 nan 8.230 nan 0.000 0.409 471 Q N 1.881 121.743 119.800 0.102 0.000 2.397 471 Q HA 0.434 4.778 4.340 0.007 0.000 0.275 471 Q C -1.439 174.586 176.000 0.043 0.000 1.090 471 Q CA -0.862 54.964 55.803 0.039 0.000 0.809 471 Q CB 2.542 31.291 28.738 0.019 0.000 1.362 471 Q HN 0.585 nan 8.270 nan 0.000 0.431 472 E N 1.777 121.978 120.200 0.002 0.000 2.103 472 E HA 0.107 4.461 4.350 0.007 0.000 0.254 472 E C -0.695 175.942 176.600 0.061 0.000 0.940 472 E CA -0.074 56.337 56.400 0.019 0.000 0.771 472 E CB 0.953 30.602 29.700 -0.086 0.000 1.153 472 E HN 0.583 nan 8.360 nan 0.000 0.428 473 Q N 2.297 122.148 119.800 0.085 0.000 3.028 473 Q HA 0.426 4.770 4.340 0.007 0.000 0.204 473 Q C 1.279 177.353 176.000 0.124 0.000 1.155 473 Q CA 0.902 56.756 55.803 0.085 0.000 0.447 473 Q CB 0.010 28.782 28.738 0.056 0.000 5.412 473 Q HN 0.499 nan 8.270 nan 0.000 0.322 474 A N -0.611 122.270 122.820 0.101 0.000 1.972 474 A HA 0.042 4.366 4.320 0.007 0.000 0.219 474 A C 0.871 178.522 177.584 0.112 0.000 1.169 474 A CA 1.909 54.008 52.037 0.104 0.000 0.635 474 A CB -0.840 18.207 19.000 0.078 0.000 0.810 474 A HN 0.662 nan 8.150 nan 0.000 0.446 475 T N -4.259 110.354 114.554 0.100 0.000 2.831 475 T HA 0.640 4.994 4.350 0.007 0.000 0.287 475 T C -0.368 174.431 174.700 0.166 0.000 1.070 475 T CA -0.909 61.263 62.100 0.119 0.000 1.010 475 T CB 0.715 69.611 68.868 0.046 0.000 1.264 475 T HN 0.099 nan 8.240 nan 0.000 0.532 476 L N 1.622 122.982 121.223 0.228 0.000 2.371 476 L HA 0.596 4.940 4.340 0.007 0.000 0.272 476 L C 0.342 177.400 176.870 0.315 0.000 1.124 476 L CA -0.516 54.489 54.840 0.274 0.000 0.816 476 L CB 0.598 42.840 42.059 0.305 0.000 1.129 476 L HN 0.872 nan 8.230 nan 0.000 0.448 477 K N 1.997 122.530 120.400 0.222 0.000 2.548 477 K HA 0.606 4.929 4.320 0.007 0.000 0.282 477 K C -3.032 173.434 176.600 -0.223 0.000 1.006 477 K CA -2.085 54.084 56.287 -0.197 0.000 0.892 477 K CB 1.359 33.727 32.500 -0.221 0.000 1.499 477 K HN 0.048 nan 8.250 nan 0.000 0.433 478 P HA -0.081 nan 4.420 nan 0.000 0.266 478 P C 0.462 177.688 177.300 -0.123 0.000 1.195 478 P CA -0.332 62.590 63.100 -0.296 0.000 0.768 478 P CB 0.406 31.852 31.700 -0.424 0.000 0.838 479 L N 3.721 124.926 121.223 -0.029 0.000 1.970 479 L HA -0.085 4.259 4.340 0.007 0.000 0.212 479 L C 0.456 177.291 176.870 -0.059 0.000 1.071 479 L CA 2.093 56.920 54.840 -0.022 0.000 0.751 479 L CB -0.669 41.396 42.059 0.011 0.000 0.889 479 L HN 0.304 nan 8.230 nan 0.000 0.432 480 D N 0.735 121.083 120.400 -0.086 0.000 2.229 480 D HA 0.308 4.952 4.640 0.007 0.000 0.249 480 D C -2.237 173.984 176.300 -0.132 0.000 1.027 480 D CA -1.609 52.332 54.000 -0.098 0.000 0.923 480 D CB 0.663 41.401 40.800 -0.102 0.000 1.174 480 D HN 0.176 nan 8.370 nan 0.000 0.443 481 P HA -0.001 nan 4.420 nan 0.000 0.271 481 P C -0.210 177.002 177.300 -0.146 0.000 1.244 481 P CA -0.318 62.705 63.100 -0.129 0.000 0.793 481 P CB 0.752 32.397 31.700 -0.091 0.000 0.984 482 V N 2.110 121.931 119.914 -0.156 0.000 2.154 482 V HA 0.135 4.258 4.120 0.007 0.000 0.265 482 V C 0.683 176.709 176.094 -0.113 0.000 1.293 482 V CA -0.306 61.890 62.300 -0.173 0.000 1.205 482 V CB -0.634 31.062 31.823 -0.212 0.000 1.306 482 V HN 0.351 nan 8.190 nan 0.000 0.479 483 L N 2.968 124.134 121.223 -0.095 0.000 2.418 483 L HA 0.271 4.615 4.340 0.007 0.000 0.274 483 L C -0.049 176.804 176.870 -0.027 0.000 1.135 483 L CA 0.371 55.182 54.840 -0.049 0.000 0.870 483 L CB 0.266 42.299 42.059 -0.044 0.000 1.154 483 L HN 0.541 nan 8.230 nan 0.000 0.462 484 C N 1.283 120.594 119.300 0.019 0.000 2.889 484 C HA 0.656 5.120 4.460 0.007 0.000 0.307 484 C C 0.504 175.516 174.990 0.036 0.000 1.251 484 C CA -0.737 58.314 59.018 0.055 0.000 1.593 484 C CB 2.144 29.987 27.740 0.172 0.000 2.104 484 C HN 0.818 nan 8.230 nan 0.000 0.476 485 T N 0.208 114.774 114.554 0.020 0.000 2.902 485 T HA 0.822 5.176 4.350 0.007 0.000 0.283 485 T C -0.986 173.676 174.700 -0.064 0.000 1.009 485 T CA -0.501 61.590 62.100 -0.015 0.000 1.051 485 T CB 0.804 69.663 68.868 -0.014 0.000 0.999 485 T HN 0.315 nan 8.240 nan 0.000 0.474 486 L N 2.017 123.166 121.223 -0.123 0.000 2.362 486 L HA 0.697 5.040 4.340 0.007 0.000 0.271 486 L C 0.256 177.020 176.870 -0.176 0.000 1.002 486 L CA -0.832 53.857 54.840 -0.252 0.000 0.818 486 L CB 1.926 43.772 42.059 -0.355 0.000 1.298 486 L HN 0.580 nan 8.230 nan 0.000 0.420 487 R N 1.642 122.030 120.500 -0.187 0.000 2.750 487 R HA 0.592 4.935 4.340 0.007 0.000 0.281 487 R C -2.613 173.613 176.300 -0.124 0.000 0.972 487 R CA -2.269 53.760 56.100 -0.118 0.000 0.912 487 R CB 1.835 32.091 30.300 -0.073 0.000 1.187 487 R HN 0.247 nan 8.270 nan 0.000 0.464 488 P HA 0.109 nan 4.420 nan 0.000 0.271 488 P C -0.423 176.848 177.300 -0.048 0.000 1.216 488 P CA -0.189 62.872 63.100 -0.065 0.000 0.776 488 P CB 0.547 32.222 31.700 -0.042 0.000 0.881 489 R N 2.686 123.165 120.500 -0.035 0.000 2.457 489 R HA 0.396 4.740 4.340 0.007 0.000 0.335 489 R C 0.305 176.602 176.300 -0.006 0.000 1.003 489 R CA 0.773 56.866 56.100 -0.013 0.000 1.003 489 R CB -1.216 29.089 30.300 0.008 0.000 0.950 489 R HN 0.793 nan 8.270 nan 0.000 0.428 490 G N 0.000 108.796 108.800 -0.006 0.000 5.446 490 G HA2 0.000 3.964 3.960 0.007 0.000 0.244 490 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 490 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 490 G HN 0.000 nan 8.290 nan 0.000 0.925