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 1n20_1_B DATA FIRST_RESID 61 DATA SEQUENCE QPALWDSNYI QSLNTPYTEE RHLDRKAELI VQVRILLKEK MEPVQQLELI DATA SEQUENCE HDLKYLGLSD FFQDEIKEIL GVIYNEHKCF XXXXXXXXDL YFTALGFRLL DATA SEQUENCE RQHGFNISQD VFNCFKNEKG IDFKASLAQD TKGMLQLYEA SFLLRKGEDT DATA SEQUENCE LELAREFATK CLQKKLDXXX NEIDENLLLW IRHSLDLPLH WRIQSVEARW DATA SEQUENCE FIDAYARRPD MNPLIFELAK LNFNIIQATH QQELKDLSRW WSRLCFPEKL DATA SEQUENCE PFVRDRLVES FFWAVGMFEP HQHGYQRKMA ATIIVLATVI DDIYDVYGTL DATA SEQUENCE DELELFTDTF KRWDTESITR LPYYMQLCYW GVHNYISDAA YDILKEHGFF DATA SEQUENCE CLQYLRKSVV DLVEAYFHEA KWYHSGYTPS LDEYLNIAKI SVASPAIISP DATA SEQUENCE TYFTFANASH DTAVIDSLYQ YHDILCLAGI ILRLPDDLGT SYFELARGDV DATA SEQUENCE PKTIQCYMKE TNASEEEAVE HVKFLIREAW KDMNTAIAAG YPFPDGMVAG DATA SEQUENCE AANIGRVAQF IYLHGDGFGV QHSKTYEHIA GLLFEPYA 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 61 Q HA 0.000 nan 4.340 nan 0.000 0.214 61 Q C 0.000 176.022 176.000 0.036 0.000 1.003 61 Q CA 0.000 55.807 55.803 0.007 0.000 1.022 61 Q CB 0.000 28.718 28.738 -0.034 0.000 1.108 62 P HA 0.292 nan 4.420 nan 0.000 0.277 62 P C -0.965 176.421 177.300 0.145 0.000 1.276 62 P CA -0.306 62.849 63.100 0.092 0.000 0.788 62 P CB 0.525 32.259 31.700 0.056 0.000 1.114 63 A N 0.212 123.129 122.820 0.160 0.000 2.322 63 A HA 0.299 4.619 4.320 0.001 0.000 0.269 63 A C 1.540 179.140 177.584 0.028 0.000 1.094 63 A CA -0.543 51.606 52.037 0.187 0.000 0.807 63 A CB -0.404 18.762 19.000 0.277 0.000 1.047 63 A HN 0.541 nan 8.150 nan 0.000 0.487 64 L N 0.278 121.404 121.223 -0.161 0.000 2.179 64 L HA 0.004 4.344 4.340 0.001 0.000 0.208 64 L C 0.280 176.857 176.870 -0.490 0.000 1.096 64 L CA 0.523 55.023 54.840 -0.565 0.000 0.779 64 L CB -0.187 41.161 42.059 -1.185 0.000 0.922 64 L HN 0.649 nan 8.230 nan 0.000 0.443 65 W N 2.508 123.847 121.300 0.064 0.000 2.318 65 W HA 0.244 4.905 4.660 0.002 0.000 0.315 65 W C -0.317 176.288 176.519 0.144 0.000 1.033 65 W CA -1.356 56.014 57.345 0.042 0.000 1.275 65 W CB 0.593 30.142 29.460 0.147 0.000 1.250 65 W HN 0.094 nan 8.180 nan 0.000 0.421 66 D N -0.156 120.424 120.400 0.301 0.000 2.478 66 D HA 0.041 4.682 4.640 0.001 0.000 0.269 66 D C 1.212 177.663 176.300 0.252 0.000 1.232 66 D CA -0.398 53.749 54.000 0.246 0.000 1.059 66 D CB 0.864 41.755 40.800 0.152 0.000 1.104 66 D HN 0.166 nan 8.370 nan 0.000 0.566 67 S N -0.415 115.396 115.700 0.185 0.000 2.370 67 S HA -0.204 4.267 4.470 0.001 0.000 0.226 67 S C 1.456 176.119 174.600 0.104 0.000 1.033 67 S CA 1.397 59.682 58.200 0.141 0.000 1.011 67 S CB -0.492 62.768 63.200 0.100 0.000 0.852 67 S HN 0.445 nan 8.310 nan 0.000 0.457 68 N N -0.018 118.745 118.700 0.105 0.000 2.084 68 N HA -0.122 4.619 4.740 0.001 0.000 0.190 68 N C 1.592 177.148 175.510 0.077 0.000 1.030 68 N CA 1.592 54.689 53.050 0.077 0.000 0.849 68 N CB -0.800 37.734 38.487 0.078 0.000 1.012 68 N HN 0.608 nan 8.380 nan 0.000 0.423 69 Y N 2.031 122.347 120.300 0.028 0.000 2.128 69 Y HA -0.127 4.423 4.550 0.001 0.000 0.284 69 Y C 2.302 178.169 175.900 -0.055 0.000 1.154 69 Y CA 1.355 59.457 58.100 0.002 0.000 1.149 69 Y CB -0.513 37.977 38.460 0.049 0.000 0.976 69 Y HN -0.028 nan 8.280 nan 0.000 0.505 70 I N -0.137 120.361 120.570 -0.120 0.000 2.179 70 I HA -0.310 3.860 4.170 0.001 0.000 0.242 70 I C 2.227 178.231 176.117 -0.189 0.000 1.088 70 I CA 1.298 62.471 61.300 -0.211 0.000 1.357 70 I CB -0.446 37.557 38.000 0.004 0.000 1.051 70 I HN 0.255 nan 8.210 nan 0.000 0.409 71 Q N 0.249 119.994 119.800 -0.091 0.000 2.291 71 Q HA -0.132 4.208 4.340 0.001 0.000 0.205 71 Q C 2.359 178.303 176.000 -0.095 0.000 0.970 71 Q CA 1.685 57.448 55.803 -0.067 0.000 0.876 71 Q CB -0.353 28.373 28.738 -0.020 0.000 0.935 71 Q HN 0.606 nan 8.270 nan 0.000 0.455 72 S N -0.646 114.966 115.700 -0.147 0.000 2.446 72 S HA 0.034 4.504 4.470 0.001 0.000 0.225 72 S C 1.053 175.545 174.600 -0.181 0.000 1.016 72 S CA -0.247 57.871 58.200 -0.137 0.000 0.943 72 S CB -0.325 62.804 63.200 -0.119 0.000 0.786 72 S HN 0.258 nan 8.310 nan 0.000 0.508 73 L N 2.699 123.743 121.223 -0.300 0.000 2.693 73 L HA -0.000 4.340 4.340 0.001 0.000 0.292 73 L C 0.199 177.004 176.870 -0.109 0.000 1.243 73 L CA 0.397 55.078 54.840 -0.265 0.000 0.903 73 L CB -0.442 41.451 42.059 -0.276 0.000 1.160 73 L HN 0.464 nan 8.230 nan 0.000 0.496 74 N N 1.314 119.978 118.700 -0.059 0.000 2.310 74 N HA 0.496 5.236 4.740 0.001 0.000 0.292 74 N C -1.199 174.328 175.510 0.028 0.000 1.049 74 N CA -0.495 52.548 53.050 -0.012 0.000 0.849 74 N CB 2.121 40.601 38.487 -0.012 0.000 1.532 74 N HN 0.480 nan 8.380 nan 0.000 0.479 75 T N 2.301 116.881 114.554 0.043 0.000 2.952 75 T HA 0.483 4.833 4.350 0.001 0.000 0.305 75 T C -2.108 172.614 174.700 0.037 0.000 1.064 75 T CA -1.447 60.700 62.100 0.079 0.000 1.008 75 T CB 1.418 70.372 68.868 0.143 0.000 1.078 75 T HN 0.510 nan 8.240 nan 0.000 0.459 76 P HA 0.074 nan 4.420 nan 0.000 0.230 76 P C 0.443 177.692 177.300 -0.084 0.000 1.168 76 P CA 0.421 63.455 63.100 -0.109 0.000 0.793 76 P CB -0.021 31.552 31.700 -0.212 0.000 0.851 77 Y N 1.400 121.699 120.300 -0.001 0.000 3.058 77 Y HA 0.017 4.567 4.550 0.001 0.000 0.376 77 Y C 1.173 177.098 175.900 0.041 0.000 1.037 77 Y CA 0.520 58.567 58.100 -0.089 0.000 1.707 77 Y CB -0.981 37.343 38.460 -0.226 0.000 1.848 77 Y HN -0.013 nan 8.280 nan 0.000 0.444 78 T N -2.842 111.826 114.554 0.191 0.000 3.016 78 T HA 0.080 4.430 4.350 0.001 0.000 0.271 78 T C 0.254 175.032 174.700 0.130 0.000 0.968 78 T CA -0.332 61.853 62.100 0.142 0.000 0.891 78 T CB 0.301 69.224 68.868 0.092 0.000 1.149 78 T HN 0.270 nan 8.240 nan 0.000 0.524 79 E N 1.912 122.207 120.200 0.158 0.000 2.354 79 E HA 0.177 4.527 4.350 0.001 0.000 0.269 79 E C 0.638 177.283 176.600 0.074 0.000 1.036 79 E CA -0.188 56.263 56.400 0.084 0.000 0.876 79 E CB 0.992 30.709 29.700 0.028 0.000 1.009 79 E HN 0.331 nan 8.360 nan 0.000 0.416 80 E N 2.485 122.704 120.200 0.031 0.000 2.147 80 E HA -0.329 4.021 4.350 0.001 0.000 0.199 80 E C 1.918 178.517 176.600 -0.002 0.000 1.005 80 E CA 0.975 57.388 56.400 0.021 0.000 0.810 80 E CB -0.050 29.652 29.700 0.003 0.000 0.736 80 E HN 0.426 nan 8.360 nan 0.000 0.460 81 R N 0.651 121.112 120.500 -0.065 0.000 2.159 81 R HA -0.259 4.082 4.340 0.001 0.000 0.249 81 R C 2.050 178.269 176.300 -0.135 0.000 1.136 81 R CA 2.014 58.026 56.100 -0.147 0.000 0.951 81 R CB -0.375 29.755 30.300 -0.283 0.000 0.876 81 R HN 0.385 nan 8.270 nan 0.000 0.440 82 H N 0.291 119.392 119.070 0.051 0.000 2.395 82 H HA -0.044 4.512 4.556 0.001 0.000 0.299 82 H C 2.286 177.649 175.328 0.059 0.000 1.070 82 H CA 1.421 57.523 56.048 0.090 0.000 1.356 82 H CB -0.173 29.697 29.762 0.179 0.000 1.401 82 H HN 0.261 nan 8.280 nan 0.000 0.524 83 L N 0.613 121.927 121.223 0.151 0.000 2.012 83 L HA -0.192 4.149 4.340 0.001 0.000 0.210 83 L C 2.178 179.065 176.870 0.030 0.000 1.073 83 L CA 1.243 56.129 54.840 0.077 0.000 0.748 83 L CB -0.278 41.813 42.059 0.053 0.000 0.891 83 L HN 0.163 nan 8.230 nan 0.000 0.431 84 D N -0.290 120.123 120.400 0.020 0.000 2.117 84 D HA -0.210 4.430 4.640 0.001 0.000 0.197 84 D C 2.219 178.523 176.300 0.005 0.000 0.987 84 D CA 1.064 55.065 54.000 0.001 0.000 0.829 84 D CB -0.188 40.608 40.800 -0.007 0.000 0.961 84 D HN 0.077 nan 8.370 nan 0.000 0.460 85 R N 1.745 122.261 120.500 0.027 0.000 2.120 85 R HA -0.096 4.244 4.340 0.001 0.000 0.234 85 R C 1.904 178.218 176.300 0.023 0.000 1.123 85 R CA 1.327 57.451 56.100 0.040 0.000 0.975 85 R CB -0.350 30.000 30.300 0.085 0.000 0.866 85 R HN 0.108 nan 8.270 nan 0.000 0.446 86 K N -0.632 119.774 120.400 0.010 0.000 2.057 86 K HA -0.073 4.248 4.320 0.001 0.000 0.207 86 K C 1.809 178.338 176.600 -0.119 0.000 1.049 86 K CA 1.437 57.688 56.287 -0.059 0.000 0.931 86 K CB -0.226 32.231 32.500 -0.073 0.000 0.714 86 K HN 0.221 nan 8.250 nan 0.000 0.440 87 A N 1.306 124.070 122.820 -0.093 0.000 1.898 87 A HA -0.169 4.151 4.320 0.001 0.000 0.216 87 A C 1.850 179.403 177.584 -0.052 0.000 1.181 87 A CA 1.585 53.562 52.037 -0.099 0.000 0.620 87 A CB -0.456 18.504 19.000 -0.067 0.000 0.819 87 A HN 0.468 nan 8.150 nan 0.000 0.442 88 E N -0.114 120.073 120.200 -0.022 0.000 2.058 88 E HA -0.180 4.171 4.350 0.001 0.000 0.194 88 E C 1.945 178.555 176.600 0.016 0.000 0.997 88 E CA 1.319 57.721 56.400 0.003 0.000 0.801 88 E CB -0.329 29.378 29.700 0.013 0.000 0.746 88 E HN 0.615 nan 8.360 nan 0.000 0.450 89 L N 0.675 121.906 121.223 0.013 0.000 2.083 89 L HA -0.204 4.137 4.340 0.001 0.000 0.209 89 L C 2.437 179.348 176.870 0.068 0.000 1.083 89 L CA 0.864 55.726 54.840 0.037 0.000 0.752 89 L CB -0.326 41.750 42.059 0.029 0.000 0.899 89 L HN 0.193 nan 8.230 nan 0.000 0.433 90 I N -1.035 119.551 120.570 0.026 0.000 2.202 90 I HA -0.261 3.910 4.170 0.001 0.000 0.242 90 I C 2.459 178.692 176.117 0.194 0.000 1.091 90 I CA 1.023 62.385 61.300 0.103 0.000 1.368 90 I CB -0.234 37.664 38.000 -0.170 0.000 1.058 90 I HN 0.002 nan 8.210 nan 0.000 0.410 91 V N 0.607 120.574 119.914 0.088 0.000 2.282 91 V HA -0.316 3.805 4.120 0.001 0.000 0.249 91 V C 2.551 178.704 176.094 0.098 0.000 1.057 91 V CA 1.734 64.087 62.300 0.090 0.000 1.032 91 V CB -0.808 31.042 31.823 0.045 0.000 0.645 91 V HN 0.462 nan 8.190 nan 0.000 0.447 92 Q N -0.252 119.595 119.800 0.077 0.000 2.096 92 Q HA -0.149 4.191 4.340 0.001 0.000 0.204 92 Q C 2.367 178.398 176.000 0.053 0.000 0.982 92 Q CA 1.740 57.580 55.803 0.060 0.000 0.850 92 Q CB -0.936 27.834 28.738 0.054 0.000 0.901 92 Q HN 0.590 nan 8.270 nan 0.000 0.422 93 V N 1.108 121.067 119.914 0.076 0.000 2.427 93 V HA -0.223 3.898 4.120 0.001 0.000 0.248 93 V C 2.520 178.527 176.094 -0.145 0.000 1.051 93 V CA 1.855 64.133 62.300 -0.036 0.000 1.048 93 V CB -0.640 31.170 31.823 -0.021 0.000 0.666 93 V HN 0.319 nan 8.190 nan 0.000 0.456 94 R N 0.183 120.729 120.500 0.077 0.000 2.091 94 R HA -0.165 4.176 4.340 0.001 0.000 0.238 94 R C 2.274 178.586 176.300 0.019 0.000 1.136 94 R CA 1.893 58.052 56.100 0.100 0.000 0.959 94 R CB -0.348 30.119 30.300 0.279 0.000 0.856 94 R HN 0.467 nan 8.270 nan 0.000 0.437 95 I N 1.034 121.624 120.570 0.033 0.000 2.091 95 I HA -0.371 3.800 4.170 0.001 0.000 0.239 95 I C 2.336 178.452 176.117 -0.002 0.000 1.061 95 I CA 1.562 62.876 61.300 0.022 0.000 1.317 95 I CB -0.438 37.579 38.000 0.028 0.000 1.031 95 I HN 0.254 nan 8.210 nan 0.000 0.401 96 L N -0.117 121.095 121.223 -0.018 0.000 2.012 96 L HA -0.253 4.087 4.340 0.001 0.000 0.210 96 L C 2.645 179.490 176.870 -0.042 0.000 1.073 96 L CA 1.021 55.847 54.840 -0.023 0.000 0.748 96 L CB -0.762 41.282 42.059 -0.026 0.000 0.891 96 L HN 0.298 nan 8.230 nan 0.000 0.431 97 L N 0.001 121.166 121.223 -0.096 0.000 2.129 97 L HA -0.222 4.118 4.340 0.001 0.000 0.212 97 L C 2.402 179.249 176.870 -0.038 0.000 1.087 97 L CA 1.849 56.624 54.840 -0.108 0.000 0.757 97 L CB -0.484 41.439 42.059 -0.227 0.000 0.896 97 L HN 0.154 nan 8.230 nan 0.000 0.434 98 K N -0.747 119.644 120.400 -0.014 0.000 2.166 98 K HA 0.039 4.360 4.320 0.001 0.000 0.201 98 K C 0.342 176.951 176.600 0.016 0.000 1.052 98 K CA -0.108 56.187 56.287 0.012 0.000 0.969 98 K CB 0.005 32.520 32.500 0.025 0.000 0.761 98 K HN 0.367 nan 8.250 nan 0.000 0.459 99 E N 2.454 122.661 120.200 0.012 0.000 2.760 99 E HA -0.132 4.218 4.350 0.001 0.000 0.268 99 E C -0.650 175.962 176.600 0.021 0.000 0.935 99 E CA 0.637 57.046 56.400 0.016 0.000 0.960 99 E CB 0.242 29.950 29.700 0.014 0.000 0.931 99 E HN 0.083 nan 8.360 nan 0.000 0.483 100 K N 2.653 123.066 120.400 0.022 0.000 2.504 100 K HA -0.031 4.289 4.320 0.001 0.000 0.278 100 K C 0.125 176.741 176.600 0.027 0.000 1.025 100 K CA 0.853 57.155 56.287 0.025 0.000 1.093 100 K CB 0.247 32.760 32.500 0.020 0.000 0.873 100 K HN 0.424 nan 8.250 nan 0.000 0.483 101 M N 1.480 121.102 119.600 0.036 0.000 2.644 101 M HA 0.191 4.672 4.480 0.001 0.000 0.273 101 M C -1.291 175.044 176.300 0.057 0.000 1.253 101 M CA -0.820 54.506 55.300 0.043 0.000 0.852 101 M CB 2.067 34.694 32.600 0.045 0.000 1.708 101 M HN 0.374 nan 8.290 nan 0.000 0.471 102 E N 1.893 122.131 120.200 0.063 0.000 2.354 102 E HA 0.228 4.579 4.350 0.001 0.000 0.269 102 E C -2.213 174.467 176.600 0.132 0.000 1.036 102 E CA -1.633 54.813 56.400 0.077 0.000 0.876 102 E CB 0.647 30.382 29.700 0.058 0.000 1.009 102 E HN 0.403 nan 8.360 nan 0.000 0.416 103 P HA -0.221 nan 4.420 nan 0.000 0.214 103 P C 1.572 179.123 177.300 0.418 0.000 1.169 103 P CA 0.999 64.289 63.100 0.317 0.000 0.908 103 P CB 0.155 32.113 31.700 0.430 0.000 0.791 104 V N -0.374 119.823 119.914 0.471 0.000 2.380 104 V HA -0.336 3.785 4.120 0.001 0.000 0.251 104 V C 2.127 178.402 176.094 0.302 0.000 1.063 104 V CA 2.063 64.679 62.300 0.527 0.000 1.055 104 V CB -1.045 31.023 31.823 0.409 0.000 0.657 104 V HN 0.158 nan 8.190 nan 0.000 0.455 105 Q N -1.029 118.893 119.800 0.203 0.000 2.123 105 Q HA -0.204 4.136 4.340 0.001 0.000 0.199 105 Q C 2.312 178.384 176.000 0.121 0.000 0.966 105 Q CA 1.748 57.636 55.803 0.142 0.000 0.845 105 Q CB -0.158 28.639 28.738 0.098 0.000 0.907 105 Q HN 0.728 nan 8.270 nan 0.000 0.439 106 Q N 0.498 120.371 119.800 0.122 0.000 2.050 106 Q HA -0.138 4.202 4.340 0.001 0.000 0.202 106 Q C 2.195 178.234 176.000 0.065 0.000 0.980 106 Q CA 1.069 56.921 55.803 0.082 0.000 0.840 106 Q CB -0.120 28.668 28.738 0.084 0.000 0.898 106 Q HN 0.383 nan 8.270 nan 0.000 0.424 107 L N 0.664 121.931 121.223 0.074 0.000 2.083 107 L HA -0.202 4.139 4.340 0.001 0.000 0.209 107 L C 2.200 179.114 176.870 0.072 0.000 1.083 107 L CA 1.210 56.062 54.840 0.021 0.000 0.752 107 L CB -0.407 41.613 42.059 -0.065 0.000 0.899 107 L HN 0.271 nan 8.230 nan 0.000 0.433 108 E N -0.072 120.193 120.200 0.108 0.000 2.106 108 E HA -0.240 4.110 4.350 0.001 0.000 0.192 108 E C 2.094 178.784 176.600 0.150 0.000 0.984 108 E CA 0.969 57.447 56.400 0.130 0.000 0.806 108 E CB -0.116 29.676 29.700 0.153 0.000 0.750 108 E HN 0.266 nan 8.360 nan 0.000 0.458 109 L N 1.091 122.381 121.223 0.113 0.000 2.109 109 L HA -0.077 4.263 4.340 0.001 0.000 0.207 109 L C 1.986 178.898 176.870 0.070 0.000 1.086 109 L CA 1.322 56.214 54.840 0.087 0.000 0.760 109 L CB -0.152 41.933 42.059 0.043 0.000 0.910 109 L HN 0.073 nan 8.230 nan 0.000 0.437 110 I N -0.893 119.716 120.570 0.065 0.000 2.179 110 I HA -0.318 3.852 4.170 0.001 0.000 0.242 110 I C 2.580 178.759 176.117 0.103 0.000 1.088 110 I CA 1.487 62.816 61.300 0.048 0.000 1.357 110 I CB -0.664 37.341 38.000 0.009 0.000 1.051 110 I HN 0.441 nan 8.210 nan 0.000 0.409 111 H N 1.252 120.367 119.070 0.075 0.000 2.387 111 H HA -0.184 4.372 4.556 0.001 0.000 0.299 111 H C 1.611 177.051 175.328 0.187 0.000 1.090 111 H CA 1.817 57.961 56.048 0.159 0.000 1.332 111 H CB -0.006 29.848 29.762 0.153 0.000 1.386 111 H HN 0.311 nan 8.280 nan 0.000 0.516 112 D N 0.590 121.161 120.400 0.285 0.000 2.117 112 D HA -0.118 4.522 4.640 0.001 0.000 0.197 112 D C 2.632 178.940 176.300 0.013 0.000 0.987 112 D CA 0.643 54.750 54.000 0.179 0.000 0.829 112 D CB -0.211 40.663 40.800 0.123 0.000 0.961 112 D HN 0.386 nan 8.370 nan 0.000 0.460 113 L N 0.576 121.799 121.223 -0.001 0.000 2.056 113 L HA -0.146 4.195 4.340 0.001 0.000 0.207 113 L C 2.505 179.329 176.870 -0.077 0.000 1.078 113 L CA 1.011 55.837 54.840 -0.024 0.000 0.749 113 L CB -0.406 41.662 42.059 0.016 0.000 0.901 113 L HN 0.001 nan 8.230 nan 0.000 0.433 114 K N 0.333 120.655 120.400 -0.131 0.000 1.978 114 K HA -0.233 4.088 4.320 0.001 0.000 0.214 114 K C 2.008 178.283 176.600 -0.542 0.000 1.049 114 K CA 1.971 58.052 56.287 -0.345 0.000 0.939 114 K CB -0.345 31.882 32.500 -0.455 0.000 0.721 114 K HN 0.143 nan 8.250 nan 0.000 0.441 115 Y N 0.572 120.659 120.300 -0.356 0.000 2.632 115 Y HA 0.017 4.567 4.550 0.001 0.000 0.301 115 Y C 1.412 177.119 175.900 -0.321 0.000 1.172 115 Y CA 0.360 58.133 58.100 -0.545 0.000 1.328 115 Y CB 0.195 38.165 38.460 -0.816 0.000 1.016 115 Y HN 0.093 nan 8.280 nan 0.000 0.529 116 L N -1.073 120.088 121.223 -0.104 0.000 2.607 116 L HA 0.252 4.592 4.340 0.001 0.000 0.228 116 L C 1.427 178.254 176.870 -0.072 0.000 1.123 116 L CA 0.409 55.213 54.840 -0.061 0.000 0.890 116 L CB -0.107 41.869 42.059 -0.138 0.000 1.103 116 L HN 0.356 nan 8.230 nan 0.000 0.468 117 G N 0.607 109.322 108.800 -0.141 0.000 2.221 117 G HA2 -0.282 3.678 3.960 0.001 0.000 0.265 117 G HA3 -0.282 3.678 3.960 0.001 0.000 0.265 117 G C 0.578 175.382 174.900 -0.159 0.000 1.041 117 G CA 0.461 45.463 45.100 -0.164 0.000 0.807 117 G HN 0.379 nan 8.290 nan 0.000 0.502 118 L N 0.291 121.465 121.223 -0.082 0.000 2.642 118 L HA 0.104 4.445 4.340 0.001 0.000 0.233 118 L C 2.788 179.697 176.870 0.064 0.000 1.077 118 L CA 0.953 55.829 54.840 0.060 0.000 0.879 118 L CB -0.174 42.069 42.059 0.307 0.000 1.151 118 L HN 0.392 nan 8.230 nan 0.000 0.495 119 S N -0.583 115.131 115.700 0.022 0.000 2.441 119 S HA -0.235 4.236 4.470 0.001 0.000 0.242 119 S C 1.326 175.923 174.600 -0.005 0.000 1.018 119 S CA 1.538 59.795 58.200 0.095 0.000 0.988 119 S CB -0.420 62.788 63.200 0.013 0.000 0.778 119 S HN 0.359 nan 8.310 nan 0.000 0.498 120 D N 0.782 121.026 120.400 -0.260 0.000 2.310 120 D HA 0.075 4.716 4.640 0.001 0.000 0.212 120 D C 1.098 177.204 176.300 -0.324 0.000 0.965 120 D CA 0.621 54.427 54.000 -0.322 0.000 0.879 120 D CB -0.377 40.147 40.800 -0.460 0.000 0.921 120 D HN 0.611 nan 8.370 nan 0.000 0.510 121 F N -0.987 118.799 119.950 -0.273 0.000 2.710 121 F HA 0.072 4.600 4.527 0.001 0.000 0.298 121 F C 0.494 175.728 175.800 -0.944 0.000 1.137 121 F CA 0.112 57.711 58.000 -0.667 0.000 1.444 121 F CB 0.223 38.641 39.000 -0.970 0.000 1.111 121 F HN -0.163 nan 8.300 nan 0.000 0.580 122 F N -0.789 119.248 119.950 0.144 0.000 2.576 122 F HA 0.261 4.788 4.527 0.001 0.000 0.365 122 F C 1.142 176.979 175.800 0.061 0.000 1.506 122 F CA -0.712 57.345 58.000 0.095 0.000 1.113 122 F CB -0.180 38.872 39.000 0.086 0.000 1.293 122 F HN -0.247 nan 8.300 nan 0.000 0.540 123 Q N 0.623 120.508 119.800 0.141 0.000 2.167 123 Q HA -0.109 4.231 4.340 0.001 0.000 0.202 123 Q C 1.257 177.326 176.000 0.115 0.000 0.970 123 Q CA 1.469 57.344 55.803 0.120 0.000 0.855 123 Q CB 0.092 28.865 28.738 0.059 0.000 0.911 123 Q HN 0.477 nan 8.270 nan 0.000 0.438 124 D N 0.657 121.120 120.400 0.104 0.000 2.084 124 D HA -0.129 4.511 4.640 0.001 0.000 0.196 124 D C 1.802 178.162 176.300 0.101 0.000 0.985 124 D CA 0.939 54.992 54.000 0.089 0.000 0.826 124 D CB 0.108 40.953 40.800 0.075 0.000 0.978 124 D HN 0.201 nan 8.370 nan 0.000 0.456 125 E N 0.829 121.110 120.200 0.134 0.000 2.085 125 E HA -0.117 4.233 4.350 0.001 0.000 0.194 125 E C 2.294 178.942 176.600 0.080 0.000 0.994 125 E CA 0.498 56.968 56.400 0.116 0.000 0.801 125 E CB -0.314 29.478 29.700 0.154 0.000 0.743 125 E HN 0.364 nan 8.360 nan 0.000 0.453 126 I N 0.584 121.208 120.570 0.090 0.000 2.252 126 I HA -0.265 3.906 4.170 0.001 0.000 0.245 126 I C 2.115 178.218 176.117 -0.023 0.000 1.102 126 I CA 1.120 62.429 61.300 0.015 0.000 1.385 126 I CB -0.201 37.813 38.000 0.024 0.000 1.064 126 I HN 0.047 nan 8.210 nan 0.000 0.414 127 K N 0.427 120.855 120.400 0.047 0.000 2.097 127 K HA -0.234 4.087 4.320 0.001 0.000 0.206 127 K C 2.073 178.746 176.600 0.122 0.000 1.049 127 K CA 1.424 57.774 56.287 0.105 0.000 0.933 127 K CB -0.137 32.432 32.500 0.116 0.000 0.717 127 K HN 0.346 nan 8.250 nan 0.000 0.442 128 E N 1.174 121.425 120.200 0.085 0.000 2.047 128 E HA -0.163 4.188 4.350 0.001 0.000 0.191 128 E C 1.980 178.617 176.600 0.060 0.000 0.987 128 E CA 0.865 57.314 56.400 0.083 0.000 0.799 128 E CB 0.019 29.761 29.700 0.070 0.000 0.752 128 E HN 0.226 nan 8.360 nan 0.000 0.449 129 I N 0.992 121.581 120.570 0.033 0.000 2.361 129 I HA -0.281 3.890 4.170 0.001 0.000 0.251 129 I C 2.307 178.409 176.117 -0.024 0.000 1.133 129 I CA 0.851 62.160 61.300 0.016 0.000 1.413 129 I CB -0.120 37.882 38.000 0.003 0.000 1.073 129 I HN 0.243 nan 8.210 nan 0.000 0.424 130 L N -0.069 121.101 121.223 -0.089 0.000 2.179 130 L HA -0.007 4.334 4.340 0.001 0.000 0.208 130 L C 2.642 179.304 176.870 -0.347 0.000 1.096 130 L CA 1.080 55.758 54.840 -0.270 0.000 0.779 130 L CB -0.859 40.977 42.059 -0.372 0.000 0.922 130 L HN 0.261 nan 8.230 nan 0.000 0.443 131 G N -0.288 108.472 108.800 -0.067 0.000 2.402 131 G HA2 -0.174 3.786 3.960 0.001 0.000 0.216 131 G HA3 -0.174 3.786 3.960 0.001 0.000 0.216 131 G C 1.571 176.550 174.900 0.131 0.000 1.162 131 G CA 0.821 45.980 45.100 0.099 0.000 0.777 131 G HN 0.162 nan 8.290 nan 0.000 0.539 132 V N 1.184 121.158 119.914 0.099 0.000 2.307 132 V HA -0.109 4.012 4.120 0.001 0.000 0.245 132 V C 2.766 178.961 176.094 0.168 0.000 1.045 132 V CA 1.376 63.748 62.300 0.120 0.000 1.024 132 V CB -0.379 31.502 31.823 0.097 0.000 0.651 132 V HN 0.375 nan 8.190 nan 0.000 0.449 133 I N -0.942 119.726 120.570 0.164 0.000 2.286 133 I HA -0.282 3.888 4.170 0.001 0.000 0.248 133 I C 2.438 178.786 176.117 0.385 0.000 1.115 133 I CA 1.874 63.359 61.300 0.309 0.000 1.392 133 I CB -0.430 37.657 38.000 0.145 0.000 1.065 133 I HN 0.376 nan 8.210 nan 0.000 0.418 134 Y N 2.351 122.646 120.300 -0.009 0.000 2.181 134 Y HA -0.264 4.287 4.550 0.001 0.000 0.288 134 Y C 2.381 178.375 175.900 0.156 0.000 1.146 134 Y CA 1.638 59.721 58.100 -0.029 0.000 1.164 134 Y CB -0.338 37.940 38.460 -0.303 0.000 0.982 134 Y HN 0.209 nan 8.280 nan 0.000 0.515 135 N N 0.452 119.241 118.700 0.149 0.000 2.081 135 N HA -0.152 4.588 4.740 0.001 0.000 0.191 135 N C 1.549 177.085 175.510 0.044 0.000 1.053 135 N CA 1.596 54.673 53.050 0.045 0.000 0.846 135 N CB -0.780 37.762 38.487 0.092 0.000 1.032 135 N HN 0.446 nan 8.380 nan 0.000 0.431 136 E N 0.184 120.425 120.200 0.070 0.000 2.492 136 E HA -0.133 4.217 4.350 0.001 0.000 0.204 136 E C -0.417 176.035 176.600 -0.246 0.000 1.073 136 E CA 0.674 57.038 56.400 -0.059 0.000 0.887 136 E CB -0.212 29.445 29.700 -0.072 0.000 0.813 136 E HN 0.451 nan 8.360 nan 0.000 0.562 137 H N -0.829 118.257 119.070 0.026 0.000 2.860 137 H HA 0.183 4.739 4.556 0.001 0.000 0.312 137 H C 0.298 175.569 175.328 -0.095 0.000 0.995 137 H CA -0.480 55.538 56.048 -0.050 0.000 1.311 137 H CB 1.199 30.921 29.762 -0.067 0.000 1.478 137 H HN -0.119 nan 8.280 nan 0.000 0.508 138 K N 1.099 121.471 120.400 -0.046 0.000 2.097 138 K HA -0.180 4.140 4.320 0.001 0.000 0.206 138 K C 1.933 178.504 176.600 -0.048 0.000 1.049 138 K CA 1.433 57.690 56.287 -0.051 0.000 0.933 138 K CB -0.131 32.331 32.500 -0.063 0.000 0.717 138 K HN 0.527 nan 8.250 nan 0.000 0.442 139 C N 1.041 120.276 119.300 -0.107 0.000 2.401 139 C HA -0.107 4.353 4.460 0.001 0.000 0.276 139 C C 1.443 176.435 174.990 0.003 0.000 1.233 139 C CA 0.291 59.239 59.018 -0.117 0.000 1.753 139 C CB -0.858 26.738 27.740 -0.241 0.000 2.029 139 C HN 0.213 nan 8.230 nan 0.000 0.478 150 L N 4.850 126.433 121.223 0.600 0.000 1.971 150 L HA -0.071 4.269 4.340 0.001 0.000 0.215 150 L C 1.854 178.860 176.870 0.225 0.000 1.072 150 L CA 1.995 57.004 54.840 0.283 0.000 0.758 150 L CB -1.011 41.207 42.059 0.265 0.000 0.889 150 L HN 0.744 nan 8.230 nan 0.000 0.433 151 Y N -0.931 119.475 120.300 0.177 0.000 2.102 151 Y HA -0.383 4.168 4.550 0.001 0.000 0.280 151 Y C 2.375 178.387 175.900 0.187 0.000 1.178 151 Y CA 2.373 60.561 58.100 0.147 0.000 1.146 151 Y CB -0.707 37.833 38.460 0.134 0.000 0.968 151 Y HN 0.322 nan 8.280 nan 0.000 0.504 152 F N 0.258 120.304 119.950 0.161 0.000 2.146 152 F HA -0.162 4.365 4.527 0.001 0.000 0.298 152 F C 2.349 178.212 175.800 0.105 0.000 1.096 152 F CA 2.196 60.246 58.000 0.083 0.000 1.275 152 F CB -0.835 38.248 39.000 0.138 0.000 1.008 152 F HN -0.011 nan 8.300 nan 0.000 0.480 153 T N 0.502 115.194 114.554 0.229 0.000 2.622 153 T HA -0.210 4.140 4.350 0.001 0.000 0.266 153 T C 2.221 176.975 174.700 0.089 0.000 1.047 153 T CA 1.655 63.850 62.100 0.160 0.000 1.159 153 T CB -0.964 67.940 68.868 0.060 0.000 0.863 153 T HN 0.340 nan 8.240 nan 0.000 0.422 154 A N 1.173 124.054 122.820 0.101 0.000 1.908 154 A HA -0.040 4.280 4.320 0.001 0.000 0.218 154 A C 2.269 179.907 177.584 0.091 0.000 1.181 154 A CA 1.473 53.643 52.037 0.223 0.000 0.627 154 A CB -0.812 18.262 19.000 0.124 0.000 0.818 154 A HN 0.409 nan 8.150 nan 0.000 0.445 155 L N -0.048 121.091 121.223 -0.141 0.000 2.056 155 L HA 0.045 4.385 4.340 0.001 0.000 0.207 155 L C 2.333 179.081 176.870 -0.202 0.000 1.078 155 L CA 2.356 57.058 54.840 -0.229 0.000 0.749 155 L CB -1.092 40.675 42.059 -0.487 0.000 0.901 155 L HN 0.269 nan 8.230 nan 0.000 0.433 156 G N -1.241 107.373 108.800 -0.310 0.000 2.402 156 G HA2 -0.324 3.637 3.960 0.001 0.000 0.216 156 G HA3 -0.324 3.637 3.960 0.001 0.000 0.216 156 G C 1.573 176.220 174.900 -0.421 0.000 1.162 156 G CA 0.741 45.562 45.100 -0.465 0.000 0.777 156 G HN 0.471 nan 8.290 nan 0.000 0.539 157 F N 1.520 121.270 119.950 -0.333 0.000 2.126 157 F HA -0.044 4.483 4.527 0.001 0.000 0.299 157 F C 2.637 178.393 175.800 -0.072 0.000 1.096 157 F CA 1.946 59.841 58.000 -0.174 0.000 1.255 157 F CB -0.122 38.951 39.000 0.121 0.000 0.997 157 F HN 0.099 nan 8.300 nan 0.000 0.479 158 R N 0.395 120.921 120.500 0.043 0.000 2.070 158 R HA -0.124 4.216 4.340 0.001 0.000 0.232 158 R C 2.334 178.590 176.300 -0.072 0.000 1.138 158 R CA 2.101 58.190 56.100 -0.018 0.000 0.936 158 R CB -0.677 29.689 30.300 0.110 0.000 0.839 158 R HN 0.423 nan 8.270 nan 0.000 0.429 159 L N 0.568 121.765 121.223 -0.043 0.000 2.131 159 L HA -0.184 4.156 4.340 0.001 0.000 0.210 159 L C 2.382 179.258 176.870 0.009 0.000 1.092 159 L CA 1.004 55.853 54.840 0.014 0.000 0.759 159 L CB -0.286 41.752 42.059 -0.035 0.000 0.903 159 L HN 0.319 nan 8.230 nan 0.000 0.435 160 L N -0.748 120.368 121.223 -0.179 0.000 2.044 160 L HA -0.173 4.167 4.340 0.001 0.000 0.205 160 L C 2.817 179.699 176.870 0.020 0.000 1.075 160 L CA 1.066 55.808 54.840 -0.164 0.000 0.747 160 L CB -0.394 41.397 42.059 -0.448 0.000 0.903 160 L HN 0.197 nan 8.230 nan 0.000 0.435 161 R N 0.083 120.456 120.500 -0.211 0.000 2.091 161 R HA -0.209 4.132 4.340 0.001 0.000 0.238 161 R C 2.255 178.497 176.300 -0.097 0.000 1.136 161 R CA 1.608 57.571 56.100 -0.228 0.000 0.959 161 R CB -0.128 29.858 30.300 -0.522 0.000 0.856 161 R HN 0.417 nan 8.270 nan 0.000 0.437 162 Q N -1.018 118.747 119.800 -0.059 0.000 2.234 162 Q HA -0.178 4.162 4.340 0.001 0.000 0.206 162 Q C 0.903 176.845 176.000 -0.096 0.000 0.980 162 Q CA 1.454 57.229 55.803 -0.046 0.000 0.869 162 Q CB 0.022 28.751 28.738 -0.016 0.000 0.912 162 Q HN 0.584 nan 8.270 nan 0.000 0.436 163 H N -1.491 117.576 119.070 -0.005 0.000 2.538 163 H HA 0.200 4.756 4.556 0.001 0.000 0.286 163 H C 0.897 176.106 175.328 -0.199 0.000 1.035 163 H CA 0.591 56.631 56.048 -0.013 0.000 1.169 163 H CB 0.505 30.359 29.762 0.153 0.000 1.417 163 H HN 0.428 nan 8.280 nan 0.000 0.567 164 G N -0.345 108.379 108.800 -0.127 0.000 2.175 164 G HA2 -0.285 3.676 3.960 0.001 0.000 0.244 164 G HA3 -0.285 3.676 3.960 0.001 0.000 0.244 164 G C 0.053 174.727 174.900 -0.376 0.000 0.982 164 G CA -0.279 44.658 45.100 -0.272 0.000 0.641 164 G HN 0.243 nan 8.290 nan 0.000 0.527 165 F N 1.034 120.845 119.950 -0.232 0.000 2.429 165 F HA 0.471 4.998 4.527 0.001 0.000 0.348 165 F C 0.861 176.533 175.800 -0.213 0.000 1.109 165 F CA -0.559 57.216 58.000 -0.376 0.000 1.232 165 F CB 0.691 39.303 39.000 -0.647 0.000 1.157 165 F HN 0.043 nan 8.300 nan 0.000 0.564 166 N N 3.909 122.639 118.700 0.050 0.000 2.439 166 N HA 0.329 5.069 4.740 0.001 0.000 0.243 166 N C -1.183 174.467 175.510 0.234 0.000 1.088 166 N CA 0.038 53.158 53.050 0.117 0.000 0.940 166 N CB 0.013 38.567 38.487 0.112 0.000 1.180 166 N HN 0.428 nan 8.380 nan 0.000 0.505 167 I N 1.054 121.730 120.570 0.177 0.000 2.433 167 I HA 0.250 4.421 4.170 0.001 0.000 0.292 167 I C 0.409 176.717 176.117 0.319 0.000 1.001 167 I CA -0.950 60.505 61.300 0.257 0.000 1.119 167 I CB 1.833 39.955 38.000 0.204 0.000 1.289 167 I HN 0.350 nan 8.210 nan 0.000 0.438 168 S N 3.381 119.268 115.700 0.311 0.000 2.603 168 S HA 0.058 4.529 4.470 0.001 0.000 0.268 168 S C 1.072 175.899 174.600 0.378 0.000 1.317 168 S CA -0.333 58.040 58.200 0.289 0.000 1.012 168 S CB 1.090 64.405 63.200 0.192 0.000 0.926 168 S HN 0.750 nan 8.310 nan 0.000 0.539 169 Q N 1.481 121.466 119.800 0.308 0.000 2.230 169 Q HA -0.099 4.242 4.340 0.001 0.000 0.202 169 Q C 0.476 176.620 176.000 0.240 0.000 0.963 169 Q CA 1.432 57.392 55.803 0.263 0.000 0.866 169 Q CB -0.351 28.495 28.738 0.180 0.000 0.931 169 Q HN 0.651 nan 8.270 nan 0.000 0.452 170 D N 1.124 121.626 120.400 0.170 0.000 2.389 170 D HA -0.094 4.546 4.640 0.001 0.000 0.221 170 D C 1.619 177.967 176.300 0.081 0.000 0.974 170 D CA 0.713 54.784 54.000 0.119 0.000 0.923 170 D CB 0.127 40.980 40.800 0.088 0.000 0.892 170 D HN 0.191 nan 8.370 nan 0.000 0.518 171 V N 0.083 120.008 119.914 0.019 0.000 3.078 171 V HA -0.177 3.943 4.120 0.001 0.000 0.265 171 V C 1.241 177.147 176.094 -0.313 0.000 1.122 171 V CA 1.019 63.223 62.300 -0.160 0.000 1.141 171 V CB -0.692 30.984 31.823 -0.245 0.000 0.735 171 V HN 0.128 nan 8.190 nan 0.000 0.498 172 F N -0.382 119.602 119.950 0.056 0.000 2.639 172 F HA 0.280 4.808 4.527 0.001 0.000 0.300 172 F C 1.626 177.501 175.800 0.125 0.000 1.109 172 F CA -0.146 57.932 58.000 0.130 0.000 1.335 172 F CB -0.830 38.194 39.000 0.039 0.000 1.014 172 F HN 0.127 nan 8.300 nan 0.000 0.537 173 N N -0.495 118.303 118.700 0.164 0.000 2.354 173 N HA -0.109 4.632 4.740 0.001 0.000 0.179 173 N C 1.407 176.919 175.510 0.002 0.000 1.021 173 N CA 0.812 53.876 53.050 0.022 0.000 0.887 173 N CB -0.103 38.385 38.487 0.002 0.000 0.974 173 N HN 0.272 nan 8.380 nan 0.000 0.437 174 C N 0.113 119.446 119.300 0.054 0.000 2.422 174 C HA -0.048 4.413 4.460 0.001 0.000 0.286 174 C C 1.300 176.080 174.990 -0.350 0.000 1.412 174 C CA 0.308 59.223 59.018 -0.173 0.000 1.786 174 C CB -1.662 25.900 27.740 -0.298 0.000 1.835 174 C HN 0.353 nan 8.230 nan 0.000 0.533 175 F N 0.833 120.751 119.950 -0.054 0.000 2.641 175 F HA 0.259 4.787 4.527 0.001 0.000 0.302 175 F C 1.023 176.693 175.800 -0.217 0.000 1.098 175 F CA -0.096 57.889 58.000 -0.026 0.000 1.318 175 F CB -0.345 38.778 39.000 0.205 0.000 1.035 175 F HN 0.098 nan 8.300 nan 0.000 0.551 176 K N 1.153 121.433 120.400 -0.199 0.000 2.110 176 K HA 0.259 4.580 4.320 0.001 0.000 0.263 176 K C 0.124 176.627 176.600 -0.161 0.000 0.975 176 K CA -0.830 55.273 56.287 -0.306 0.000 0.895 176 K CB 1.030 33.321 32.500 -0.347 0.000 1.060 176 K HN 0.112 nan 8.250 nan 0.000 0.448 177 N N 0.248 118.870 118.700 -0.131 0.000 2.297 177 N HA -0.091 4.650 4.740 0.001 0.000 0.232 177 N C 0.370 175.834 175.510 -0.076 0.000 1.311 177 N CA 0.032 53.035 53.050 -0.079 0.000 0.897 177 N CB 0.394 38.849 38.487 -0.054 0.000 1.137 177 N HN 0.533 nan 8.380 nan 0.000 0.449 178 E N -0.413 119.753 120.200 -0.056 0.000 2.253 178 E HA -0.293 4.058 4.350 0.001 0.000 0.202 178 E C 1.081 177.653 176.600 -0.047 0.000 1.014 178 E CA 1.446 57.817 56.400 -0.049 0.000 0.823 178 E CB -0.157 29.521 29.700 -0.036 0.000 0.736 178 E HN 0.595 nan 8.360 nan 0.000 0.478 179 K N -1.041 119.331 120.400 -0.047 0.000 2.098 179 K HA 0.026 4.346 4.320 0.001 0.000 0.203 179 K C 1.409 177.978 176.600 -0.052 0.000 1.051 179 K CA 0.732 56.995 56.287 -0.041 0.000 0.957 179 K CB 0.295 32.776 32.500 -0.032 0.000 0.738 179 K HN 0.237 nan 8.250 nan 0.000 0.447 180 G N 1.931 110.685 108.800 -0.076 0.000 2.130 180 G HA2 -0.205 3.756 3.960 0.001 0.000 0.216 180 G HA3 -0.205 3.756 3.960 0.001 0.000 0.216 180 G C 0.630 175.473 174.900 -0.095 0.000 0.999 180 G CA 0.391 45.433 45.100 -0.097 0.000 0.686 180 G HN 0.419 nan 8.290 nan 0.000 0.515 181 I N -4.350 116.171 120.570 -0.082 0.000 4.035 181 I HA 0.450 4.620 4.170 0.001 0.000 0.321 181 I C 0.091 176.171 176.117 -0.062 0.000 1.289 181 I CA 0.065 61.332 61.300 -0.055 0.000 1.236 181 I CB 0.334 38.320 38.000 -0.024 0.000 1.076 181 I HN -0.043 nan 8.210 nan 0.000 0.418 182 D N 0.068 120.402 120.400 -0.110 0.000 2.677 182 D HA 0.377 5.017 4.640 0.001 0.000 0.298 182 D C -1.306 174.842 176.300 -0.253 0.000 1.250 182 D CA -0.391 53.549 54.000 -0.100 0.000 0.888 182 D CB 1.879 42.665 40.800 -0.024 0.000 1.397 182 D HN -0.173 nan 8.370 nan 0.000 0.461 183 F N 0.985 120.697 119.950 -0.395 0.000 2.375 183 F HA 0.259 4.786 4.527 0.001 0.000 0.333 183 F C 1.284 176.845 175.800 -0.399 0.000 1.104 183 F CA -0.402 57.312 58.000 -0.478 0.000 1.149 183 F CB 0.660 39.099 39.000 -0.935 0.000 1.190 183 F HN -0.205 nan 8.300 nan 0.000 0.533 184 K N 2.103 122.496 120.400 -0.012 0.000 2.402 184 K HA 0.105 4.425 4.320 0.001 0.000 0.279 184 K C 0.941 177.617 176.600 0.127 0.000 1.082 184 K CA 0.226 56.542 56.287 0.047 0.000 1.080 184 K CB 0.384 32.935 32.500 0.085 0.000 0.899 184 K HN 0.814 nan 8.250 nan 0.000 0.469 185 A N 2.970 125.871 122.820 0.135 0.000 2.084 185 A HA -0.228 4.092 4.320 0.001 0.000 0.221 185 A C 2.187 179.915 177.584 0.241 0.000 1.161 185 A CA 2.130 54.316 52.037 0.249 0.000 0.653 185 A CB -0.520 18.584 19.000 0.174 0.000 0.802 185 A HN 0.833 nan 8.150 nan 0.000 0.457 186 S N 0.145 115.950 115.700 0.176 0.000 2.399 186 S HA -0.125 4.345 4.470 0.001 0.000 0.231 186 S C 1.785 176.497 174.600 0.186 0.000 1.022 186 S CA 1.384 59.672 58.200 0.148 0.000 0.983 186 S CB -0.808 62.457 63.200 0.108 0.000 0.803 186 S HN 0.499 nan 8.310 nan 0.000 0.480 187 L N 1.564 122.945 121.223 0.263 0.000 2.127 187 L HA -0.105 4.236 4.340 0.001 0.000 0.211 187 L C 3.153 180.171 176.870 0.247 0.000 1.089 187 L CA 1.027 56.048 54.840 0.301 0.000 0.757 187 L CB -1.009 41.309 42.059 0.432 0.000 0.899 187 L HN 0.472 nan 8.230 nan 0.000 0.434 188 A N -0.274 122.698 122.820 0.254 0.000 1.997 188 A HA -0.327 3.993 4.320 0.001 0.000 0.221 188 A C 2.295 179.906 177.584 0.046 0.000 1.172 188 A CA 2.147 54.232 52.037 0.080 0.000 0.645 188 A CB -0.592 18.443 19.000 0.059 0.000 0.813 188 A HN 0.555 nan 8.150 nan 0.000 0.454 189 Q N -0.622 119.224 119.800 0.076 0.000 2.369 189 Q HA -0.144 4.197 4.340 0.001 0.000 0.206 189 Q C -0.097 175.934 176.000 0.050 0.000 0.963 189 Q CA 0.880 56.714 55.803 0.051 0.000 0.894 189 Q CB -0.010 28.762 28.738 0.056 0.000 0.965 189 Q HN 0.540 nan 8.270 nan 0.000 0.475 190 D N 0.011 120.458 120.400 0.078 0.000 2.558 190 D HA 0.047 4.688 4.640 0.001 0.000 0.221 190 D C 0.308 176.647 176.300 0.065 0.000 1.143 190 D CA 0.094 54.142 54.000 0.081 0.000 1.010 190 D CB 0.581 41.459 40.800 0.130 0.000 1.068 190 D HN 0.040 nan 8.370 nan 0.000 0.511 191 T N 1.855 116.429 114.554 0.032 0.000 2.652 191 T HA -0.213 4.137 4.350 0.001 0.000 0.267 191 T C 1.736 176.462 174.700 0.042 0.000 1.039 191 T CA 1.182 63.293 62.100 0.018 0.000 1.153 191 T CB -0.035 68.835 68.868 0.003 0.000 0.863 191 T HN 0.400 nan 8.240 nan 0.000 0.428 192 K N 0.441 120.864 120.400 0.039 0.000 2.074 192 K HA -0.145 4.175 4.320 0.001 0.000 0.209 192 K C 2.464 179.185 176.600 0.202 0.000 1.048 192 K CA 1.677 58.001 56.287 0.063 0.000 0.926 192 K CB -0.570 31.895 32.500 -0.060 0.000 0.713 192 K HN 0.390 nan 8.250 nan 0.000 0.444 193 G N 0.703 109.616 108.800 0.189 0.000 2.394 193 G HA2 -0.203 3.757 3.960 0.001 0.000 0.215 193 G HA3 -0.203 3.757 3.960 0.001 0.000 0.215 193 G C 1.438 176.423 174.900 0.142 0.000 1.165 193 G CA 0.467 45.704 45.100 0.230 0.000 0.784 193 G HN 0.140 nan 8.290 nan 0.000 0.535 194 M N 0.071 119.727 119.600 0.094 0.000 2.108 194 M HA -0.014 4.466 4.480 0.001 0.000 0.261 194 M C 2.492 178.823 176.300 0.051 0.000 1.066 194 M CA 0.905 56.227 55.300 0.036 0.000 1.107 194 M CB -1.062 31.518 32.600 -0.033 0.000 1.356 194 M HN 0.290 nan 8.290 nan 0.000 0.406 195 L N 0.853 122.120 121.223 0.072 0.000 2.079 195 L HA -0.205 4.136 4.340 0.001 0.000 0.210 195 L C 2.362 179.330 176.870 0.163 0.000 1.081 195 L CA 1.863 56.770 54.840 0.112 0.000 0.752 195 L CB -0.750 41.376 42.059 0.111 0.000 0.896 195 L HN 0.285 nan 8.230 nan 0.000 0.433 196 Q N -0.971 118.897 119.800 0.114 0.000 2.172 196 Q HA -0.111 4.229 4.340 0.001 0.000 0.200 196 Q C 2.231 178.265 176.000 0.057 0.000 0.964 196 Q CA 1.327 57.166 55.803 0.061 0.000 0.855 196 Q CB -0.485 28.228 28.738 -0.042 0.000 0.918 196 Q HN 0.485 nan 8.270 nan 0.000 0.444 197 L N -0.206 121.035 121.223 0.031 0.000 2.109 197 L HA -0.134 4.207 4.340 0.001 0.000 0.207 197 L C 2.204 179.013 176.870 -0.101 0.000 1.086 197 L CA 1.449 56.236 54.840 -0.088 0.000 0.760 197 L CB -0.706 41.272 42.059 -0.136 0.000 0.910 197 L HN 0.151 nan 8.230 nan 0.000 0.437 198 Y N 0.525 120.760 120.300 -0.108 0.000 2.114 198 Y HA -0.234 4.316 4.550 0.001 0.000 0.284 198 Y C 2.401 178.335 175.900 0.057 0.000 1.143 198 Y CA 2.143 60.205 58.100 -0.065 0.000 1.135 198 Y CB -0.187 38.281 38.460 0.014 0.000 0.980 198 Y HN 0.262 nan 8.280 nan 0.000 0.499 199 E N 0.438 120.734 120.200 0.161 0.000 2.085 199 E HA -0.237 4.113 4.350 0.001 0.000 0.194 199 E C 2.378 179.011 176.600 0.055 0.000 0.994 199 E CA 1.283 57.750 56.400 0.111 0.000 0.801 199 E CB -0.726 29.085 29.700 0.186 0.000 0.743 199 E HN 0.601 nan 8.360 nan 0.000 0.453 200 A N 1.635 124.470 122.820 0.024 0.000 2.015 200 A HA -0.137 4.184 4.320 0.001 0.000 0.219 200 A C 2.380 179.918 177.584 -0.076 0.000 1.163 200 A CA 1.702 53.785 52.037 0.077 0.000 0.646 200 A CB -0.482 18.619 19.000 0.168 0.000 0.806 200 A HN 0.323 nan 8.150 nan 0.000 0.448 201 S N -0.856 114.649 115.700 -0.324 0.000 2.423 201 S HA -0.074 4.397 4.470 0.001 0.000 0.231 201 S C 1.289 175.571 174.600 -0.529 0.000 1.014 201 S CA 0.972 58.869 58.200 -0.506 0.000 0.965 201 S CB -0.771 62.008 63.200 -0.703 0.000 0.785 201 S HN 0.405 nan 8.310 nan 0.000 0.495 202 F N 0.671 120.428 119.950 -0.323 0.000 2.804 202 F HA 0.397 4.925 4.527 0.001 0.000 0.303 202 F C 0.924 176.535 175.800 -0.315 0.000 1.154 202 F CA -0.075 57.750 58.000 -0.292 0.000 1.401 202 F CB -0.103 38.618 39.000 -0.465 0.000 1.106 202 F HN 0.201 nan 8.300 nan 0.000 0.568 203 L N 0.654 121.774 121.223 -0.171 0.000 2.700 203 L HA 0.177 4.518 4.340 0.001 0.000 0.234 203 L C 0.636 177.509 176.870 0.004 0.000 1.156 203 L CA -0.014 54.694 54.840 -0.219 0.000 0.946 203 L CB -0.736 41.211 42.059 -0.188 0.000 1.216 203 L HN 0.073 nan 8.230 nan 0.000 0.493 204 L N -1.163 120.078 121.223 0.030 0.000 2.483 204 L HA 0.334 4.674 4.340 0.001 0.000 0.275 204 L C 0.059 176.991 176.870 0.102 0.000 1.220 204 L CA -0.110 54.773 54.840 0.071 0.000 0.833 204 L CB 0.415 42.479 42.059 0.009 0.000 1.102 204 L HN 0.112 nan 8.230 nan 0.000 0.490 205 R N 1.048 121.610 120.500 0.104 0.000 2.939 205 R HA 0.402 4.743 4.340 0.001 0.000 0.254 205 R C -0.893 175.457 176.300 0.083 0.000 1.123 205 R CA -1.187 54.973 56.100 0.100 0.000 1.020 205 R CB 1.164 31.523 30.300 0.098 0.000 1.206 205 R HN 0.593 nan 8.270 nan 0.000 0.491 206 K N 0.629 121.072 120.400 0.072 0.000 2.530 206 K HA -0.089 4.232 4.320 0.001 0.000 0.280 206 K C 0.494 177.132 176.600 0.063 0.000 1.004 206 K CA 1.616 57.939 56.287 0.061 0.000 1.071 206 K CB -0.017 32.514 32.500 0.050 0.000 0.876 206 K HN 0.787 nan 8.250 nan 0.000 0.487 207 G N 3.248 112.085 108.800 0.061 0.000 2.162 207 G HA2 -0.274 3.686 3.960 0.001 0.000 0.260 207 G HA3 -0.274 3.686 3.960 0.001 0.000 0.260 207 G C -0.397 174.541 174.900 0.064 0.000 0.976 207 G CA 0.447 45.583 45.100 0.060 0.000 0.655 207 G HN 0.745 nan 8.290 nan 0.000 0.533 208 E N 1.088 121.328 120.200 0.067 0.000 2.206 208 E HA 0.237 4.587 4.350 0.001 0.000 0.244 208 E C 0.374 177.002 176.600 0.047 0.000 1.055 208 E CA -0.431 56.010 56.400 0.068 0.000 0.970 208 E CB 0.386 30.138 29.700 0.087 0.000 1.256 208 E HN 0.360 nan 8.360 nan 0.000 0.456 209 D N 1.009 121.438 120.400 0.049 0.000 2.144 209 D HA -0.136 4.505 4.640 0.001 0.000 0.199 209 D C 1.459 177.785 176.300 0.044 0.000 0.984 209 D CA 1.214 55.241 54.000 0.046 0.000 0.834 209 D CB 0.056 40.885 40.800 0.049 0.000 0.955 209 D HN 0.249 nan 8.370 nan 0.000 0.465 210 T N 1.720 116.303 114.554 0.049 0.000 2.720 210 T HA -0.110 4.240 4.350 0.001 0.000 0.268 210 T C 2.243 176.963 174.700 0.032 0.000 1.037 210 T CA 0.671 62.816 62.100 0.074 0.000 1.144 210 T CB -0.239 68.677 68.868 0.079 0.000 0.864 210 T HN 0.157 nan 8.240 nan 0.000 0.444 211 L N 0.573 121.757 121.223 -0.065 0.000 2.093 211 L HA -0.041 4.299 4.340 0.001 0.000 0.208 211 L C 2.781 179.537 176.870 -0.191 0.000 1.085 211 L CA 1.132 55.851 54.840 -0.203 0.000 0.755 211 L CB -0.469 41.487 42.059 -0.172 0.000 0.904 211 L HN 0.219 nan 8.230 nan 0.000 0.435 212 E N 0.896 121.041 120.200 -0.092 0.000 2.072 212 E HA -0.233 4.118 4.350 0.001 0.000 0.191 212 E C 2.004 178.572 176.600 -0.054 0.000 0.985 212 E CA 1.157 57.510 56.400 -0.077 0.000 0.801 212 E CB -0.265 29.436 29.700 0.002 0.000 0.750 212 E HN 0.214 nan 8.360 nan 0.000 0.452 213 L N 0.403 121.633 121.223 0.012 0.000 2.046 213 L HA 0.024 4.364 4.340 0.001 0.000 0.208 213 L C 2.209 179.081 176.870 0.003 0.000 1.077 213 L CA 2.216 57.106 54.840 0.084 0.000 0.747 213 L CB -1.168 41.012 42.059 0.202 0.000 0.896 213 L HN 0.200 nan 8.230 nan 0.000 0.432 214 A N -0.538 122.197 122.820 -0.141 0.000 1.933 214 A HA -0.239 4.082 4.320 0.001 0.000 0.218 214 A C 2.537 179.935 177.584 -0.311 0.000 1.175 214 A CA 1.679 53.430 52.037 -0.476 0.000 0.628 214 A CB -0.636 18.014 19.000 -0.584 0.000 0.814 214 A HN 0.509 nan 8.150 nan 0.000 0.444 215 R N 0.025 120.351 120.500 -0.290 0.000 2.081 215 R HA -0.156 4.184 4.340 0.001 0.000 0.235 215 R C 1.938 178.177 176.300 -0.103 0.000 1.131 215 R CA 1.781 57.701 56.100 -0.301 0.000 0.960 215 R CB -0.272 29.763 30.300 -0.442 0.000 0.856 215 R HN 0.688 nan 8.270 nan 0.000 0.436 216 E N -0.449 119.724 120.200 -0.044 0.000 2.106 216 E HA -0.199 4.152 4.350 0.001 0.000 0.192 216 E C 1.789 178.417 176.600 0.047 0.000 0.984 216 E CA 1.065 57.480 56.400 0.026 0.000 0.806 216 E CB -0.230 29.505 29.700 0.058 0.000 0.750 216 E HN 0.302 nan 8.360 nan 0.000 0.458 217 F N 1.953 121.833 119.950 -0.117 0.000 2.060 217 F HA -0.070 4.457 4.527 0.001 0.000 0.295 217 F C 2.345 178.072 175.800 -0.123 0.000 1.120 217 F CA 1.487 59.412 58.000 -0.126 0.000 1.205 217 F CB -0.486 38.370 39.000 -0.240 0.000 0.986 217 F HN -0.078 nan 8.300 nan 0.000 0.470 218 A N -0.680 121.996 122.820 -0.239 0.000 2.019 218 A HA -0.127 4.194 4.320 0.001 0.000 0.219 218 A C 2.128 179.605 177.584 -0.178 0.000 1.164 218 A CA 2.150 54.031 52.037 -0.260 0.000 0.644 218 A CB -1.342 17.615 19.000 -0.070 0.000 0.805 218 A HN 0.488 nan 8.150 nan 0.000 0.449 219 T N -0.022 114.494 114.554 -0.063 0.000 2.732 219 T HA -0.084 4.266 4.350 0.001 0.000 0.261 219 T C 1.934 176.564 174.700 -0.116 0.000 1.040 219 T CA 1.565 63.637 62.100 -0.046 0.000 1.145 219 T CB -0.183 68.741 68.868 0.094 0.000 0.866 219 T HN 0.551 nan 8.240 nan 0.000 0.427 220 K N 0.578 120.912 120.400 -0.109 0.000 2.020 220 K HA -0.142 4.179 4.320 0.001 0.000 0.212 220 K C 2.719 179.221 176.600 -0.164 0.000 1.050 220 K CA 1.545 57.769 56.287 -0.104 0.000 0.929 220 K CB -0.762 31.692 32.500 -0.076 0.000 0.714 220 K HN 0.368 nan 8.250 nan 0.000 0.443 221 C N 1.021 120.146 119.300 -0.291 0.000 2.413 221 C HA -0.108 4.352 4.460 0.001 0.000 0.277 221 C C 2.469 177.326 174.990 -0.221 0.000 1.228 221 C CA 0.682 59.504 59.018 -0.326 0.000 1.731 221 C CB -0.862 26.503 27.740 -0.625 0.000 2.042 221 C HN 0.457 nan 8.230 nan 0.000 0.468 222 L N 0.995 122.082 121.223 -0.226 0.000 2.093 222 L HA -0.051 4.289 4.340 0.001 0.000 0.208 222 L C 2.608 179.387 176.870 -0.152 0.000 1.085 222 L CA 2.259 56.986 54.840 -0.187 0.000 0.755 222 L CB -0.993 40.913 42.059 -0.256 0.000 0.904 222 L HN 0.513 nan 8.230 nan 0.000 0.435 223 Q N 0.052 119.766 119.800 -0.144 0.000 2.046 223 Q HA -0.248 4.092 4.340 0.001 0.000 0.200 223 Q C 2.292 178.250 176.000 -0.071 0.000 0.975 223 Q CA 2.099 57.842 55.803 -0.099 0.000 0.836 223 Q CB -0.288 28.404 28.738 -0.077 0.000 0.896 223 Q HN 0.467 nan 8.270 nan 0.000 0.428 224 K N -0.058 120.297 120.400 -0.075 0.000 2.032 224 K HA -0.217 4.104 4.320 0.001 0.000 0.209 224 K C 1.680 178.251 176.600 -0.047 0.000 1.048 224 K CA 1.668 57.922 56.287 -0.055 0.000 0.927 224 K CB -0.164 32.299 32.500 -0.062 0.000 0.712 224 K HN -0.038 nan 8.250 nan 0.000 0.441 225 K N 0.585 120.950 120.400 -0.059 0.000 2.585 225 K HA -0.060 4.260 4.320 0.001 0.000 0.194 225 K C 1.242 177.824 176.600 -0.031 0.000 1.037 225 K CA 0.387 56.649 56.287 -0.043 0.000 0.964 225 K CB 0.027 32.497 32.500 -0.050 0.000 0.787 225 K HN 0.169 nan 8.250 nan 0.000 0.488 226 L N -0.374 120.829 121.223 -0.034 0.000 2.664 226 L HA 0.234 4.575 4.340 0.001 0.000 0.233 226 L C -0.414 176.448 176.870 -0.014 0.000 1.113 226 L CA 0.228 55.055 54.840 -0.022 0.000 0.896 226 L CB 0.330 42.371 42.059 -0.030 0.000 1.163 226 L HN -0.008 nan 8.230 nan 0.000 0.497 232 E N 0.391 120.590 120.200 -0.002 0.000 2.479 232 E HA 0.240 4.590 4.350 0.001 0.000 0.193 232 E C 0.332 176.929 176.600 -0.005 0.000 1.049 232 E CA 0.378 56.776 56.400 -0.004 0.000 0.870 232 E CB 0.134 29.832 29.700 -0.003 0.000 0.944 232 E HN 0.428 nan 8.360 nan 0.000 0.492 233 I N 0.409 120.978 120.570 -0.003 0.000 2.693 233 I HA 0.293 4.464 4.170 0.001 0.000 0.303 233 I C -0.344 175.772 176.117 -0.001 0.000 1.025 233 I CA -1.377 59.922 61.300 -0.003 0.000 1.086 233 I CB 2.108 40.109 38.000 0.002 0.000 1.268 233 I HN 0.017 nan 8.210 nan 0.000 0.440 234 D N 3.441 123.838 120.400 -0.005 0.000 2.506 234 D HA 0.056 4.696 4.640 0.001 0.000 0.234 234 D C 1.146 177.451 176.300 0.009 0.000 1.143 234 D CA 0.883 54.879 54.000 -0.006 0.000 0.871 234 D CB 1.223 42.012 40.800 -0.018 0.000 1.190 234 D HN 0.692 nan 8.370 nan 0.000 0.459 235 E N 3.282 123.486 120.200 0.006 0.000 2.077 235 E HA -0.236 4.114 4.350 0.001 0.000 0.193 235 E C 1.629 178.251 176.600 0.037 0.000 0.989 235 E CA 1.508 57.918 56.400 0.016 0.000 0.800 235 E CB -0.721 28.981 29.700 0.003 0.000 0.746 235 E HN 0.612 nan 8.360 nan 0.000 0.452 236 N N -0.037 118.680 118.700 0.029 0.000 2.106 236 N HA -0.074 4.667 4.740 0.001 0.000 0.188 236 N C 1.865 177.456 175.510 0.134 0.000 1.029 236 N CA 1.412 54.499 53.050 0.061 0.000 0.848 236 N CB -0.375 38.123 38.487 0.019 0.000 1.007 236 N HN 0.365 nan 8.380 nan 0.000 0.423 237 L N 1.217 122.487 121.223 0.079 0.000 2.191 237 L HA 0.005 4.345 4.340 0.001 0.000 0.212 237 L C 1.992 178.961 176.870 0.166 0.000 1.103 237 L CA 1.084 55.983 54.840 0.097 0.000 0.769 237 L CB -0.531 41.540 42.059 0.020 0.000 0.908 237 L HN 0.138 nan 8.230 nan 0.000 0.438 238 L N -1.668 119.630 121.223 0.124 0.000 2.095 238 L HA -0.111 4.229 4.340 0.001 0.000 0.204 238 L C 2.220 179.187 176.870 0.162 0.000 1.080 238 L CA 0.960 55.868 54.840 0.114 0.000 0.759 238 L CB -0.098 42.001 42.059 0.066 0.000 0.914 238 L HN 0.236 nan 8.230 nan 0.000 0.439 239 L N -1.344 119.990 121.223 0.186 0.000 2.376 239 L HA -0.212 4.128 4.340 0.001 0.000 0.219 239 L C 2.164 179.249 176.870 0.359 0.000 1.133 239 L CA 0.613 55.583 54.840 0.218 0.000 0.816 239 L CB -0.424 41.730 42.059 0.158 0.000 0.933 239 L HN 0.582 nan 8.230 nan 0.000 0.449 240 W N 0.609 122.041 121.300 0.220 0.000 2.494 240 W HA -0.038 4.622 4.660 0.001 0.000 0.286 240 W C 2.122 178.773 176.519 0.219 0.000 1.218 240 W CA 0.864 58.407 57.345 0.330 0.000 1.313 240 W CB 0.075 29.685 29.460 0.251 0.000 1.105 240 W HN 0.048 nan 8.180 nan 0.000 0.561 241 I N 0.603 121.391 120.570 0.363 0.000 2.252 241 I HA -0.315 3.855 4.170 0.001 0.000 0.245 241 I C 2.563 178.710 176.117 0.049 0.000 1.102 241 I CA 1.238 62.634 61.300 0.159 0.000 1.385 241 I CB -0.507 37.537 38.000 0.073 0.000 1.064 241 I HN -0.146 nan 8.210 nan 0.000 0.414 242 R N -0.448 120.102 120.500 0.083 0.000 2.091 242 R HA -0.213 4.127 4.340 0.001 0.000 0.238 242 R C 2.396 178.709 176.300 0.021 0.000 1.136 242 R CA 1.484 57.609 56.100 0.042 0.000 0.959 242 R CB -0.735 29.609 30.300 0.075 0.000 0.856 242 R HN 0.523 nan 8.270 nan 0.000 0.437 243 H N 0.266 119.275 119.070 -0.102 0.000 2.265 243 H HA -0.096 4.461 4.556 0.001 0.000 0.295 243 H C 1.776 176.931 175.328 -0.288 0.000 1.084 243 H CA 1.937 57.797 56.048 -0.314 0.000 1.261 243 H CB 0.225 29.606 29.762 -0.634 0.000 1.360 243 H HN 0.109 nan 8.280 nan 0.000 0.487 244 S N 0.475 116.057 115.700 -0.196 0.000 2.447 244 S HA -0.064 4.407 4.470 0.001 0.000 0.233 244 S C 2.304 176.841 174.600 -0.105 0.000 1.006 244 S CA 0.499 58.608 58.200 -0.152 0.000 0.957 244 S CB -0.046 63.205 63.200 0.084 0.000 0.773 244 S HN 0.331 nan 8.310 nan 0.000 0.507 245 L N 0.897 122.025 121.223 -0.159 0.000 2.156 245 L HA -0.077 4.263 4.340 0.001 0.000 0.208 245 L C 1.921 178.743 176.870 -0.081 0.000 1.095 245 L CA 0.854 55.607 54.840 -0.145 0.000 0.770 245 L CB -0.400 41.568 42.059 -0.151 0.000 0.914 245 L HN 0.168 nan 8.230 nan 0.000 0.439 246 D N -0.056 120.273 120.400 -0.119 0.000 2.097 246 D HA 0.064 4.704 4.640 0.001 0.000 0.197 246 D C 0.485 176.698 176.300 -0.144 0.000 0.984 246 D CA 1.225 55.157 54.000 -0.113 0.000 0.826 246 D CB 0.287 41.002 40.800 -0.141 0.000 0.973 246 D HN 0.097 nan 8.370 nan 0.000 0.460 247 L N 0.580 121.653 121.223 -0.250 0.000 2.639 247 L HA 0.278 4.619 4.340 0.001 0.000 0.264 247 L C -2.569 174.040 176.870 -0.436 0.000 0.948 247 L CA -1.785 52.886 54.840 -0.281 0.000 0.912 247 L CB 3.162 45.123 42.059 -0.163 0.000 1.294 247 L HN -0.182 nan 8.230 nan 0.000 0.412 248 P HA 0.074 nan 4.420 nan 0.000 0.271 248 P C 0.902 177.929 177.300 -0.455 0.000 1.233 248 P CA -0.254 62.446 63.100 -0.665 0.000 0.789 248 P CB 1.244 31.957 31.700 -1.645 0.000 0.951 249 L N 0.088 121.180 121.223 -0.218 0.000 2.127 249 L HA -0.219 4.122 4.340 0.001 0.000 0.211 249 L C 2.627 179.490 176.870 -0.012 0.000 1.089 249 L CA 1.718 56.521 54.840 -0.061 0.000 0.757 249 L CB -1.187 40.870 42.059 -0.003 0.000 0.899 249 L HN 0.543 nan 8.230 nan 0.000 0.434 250 H N -1.018 117.918 119.070 -0.223 0.000 2.518 250 H HA -0.180 4.376 4.556 0.001 0.000 0.289 250 H C 0.997 176.213 175.328 -0.186 0.000 1.051 250 H CA 1.243 57.173 56.048 -0.198 0.000 1.280 250 H CB 0.093 29.718 29.762 -0.227 0.000 1.380 250 H HN 0.270 nan 8.280 nan 0.000 0.566 251 W N 0.880 121.822 121.300 -0.597 0.000 3.102 251 W HA 0.355 5.016 4.660 0.001 0.000 0.401 251 W C 0.043 176.360 176.519 -0.336 0.000 1.070 251 W CA -0.511 56.466 57.345 -0.613 0.000 1.921 251 W CB -0.087 29.040 29.460 -0.556 0.000 1.118 251 W HN -0.029 nan 8.180 nan 0.000 0.647 252 R N 0.183 120.646 120.500 -0.061 0.000 2.892 252 R HA 0.718 5.058 4.340 0.001 0.000 0.265 252 R C -0.691 175.601 176.300 -0.013 0.000 1.025 252 R CA -1.022 55.060 56.100 -0.031 0.000 0.982 252 R CB 2.283 32.580 30.300 -0.004 0.000 1.185 252 R HN -0.231 nan 8.270 nan 0.000 0.484 253 I N 1.548 122.093 120.570 -0.041 0.000 2.418 253 I HA 0.095 4.266 4.170 0.001 0.000 0.287 253 I C 1.185 177.319 176.117 0.028 0.000 1.008 253 I CA -0.526 60.730 61.300 -0.072 0.000 1.104 253 I CB 2.066 39.950 38.000 -0.194 0.000 1.264 253 I HN 0.592 nan 8.210 nan 0.000 0.438 254 Q N 3.665 123.459 119.800 -0.010 0.000 2.096 254 Q HA -0.201 4.140 4.340 0.001 0.000 0.204 254 Q C 1.986 178.029 176.000 0.072 0.000 0.982 254 Q CA 2.763 58.581 55.803 0.024 0.000 0.850 254 Q CB 0.073 28.667 28.738 -0.241 0.000 0.901 254 Q HN 0.867 nan 8.270 nan 0.000 0.422 255 S N -0.988 114.690 115.700 -0.037 0.000 2.442 255 S HA -0.071 4.400 4.470 0.001 0.000 0.236 255 S C 1.985 176.581 174.600 -0.008 0.000 1.007 255 S CA 1.230 59.413 58.200 -0.028 0.000 0.965 255 S CB -0.298 62.852 63.200 -0.084 0.000 0.773 255 S HN 0.189 nan 8.310 nan 0.000 0.504 256 V N 1.783 121.659 119.914 -0.063 0.000 2.379 256 V HA 0.076 4.197 4.120 0.001 0.000 0.243 256 V C 1.766 177.943 176.094 0.138 0.000 1.035 256 V CA 1.376 63.629 62.300 -0.079 0.000 1.035 256 V CB -0.471 31.074 31.823 -0.464 0.000 0.673 256 V HN 0.538 nan 8.190 nan 0.000 0.457 257 E N 0.154 120.437 120.200 0.139 0.000 2.411 257 E HA 0.352 4.703 4.350 0.001 0.000 0.204 257 E C 1.657 178.522 176.600 0.442 0.000 1.059 257 E CA 0.372 56.938 56.400 0.276 0.000 1.112 257 E CB 0.438 30.205 29.700 0.112 0.000 1.168 257 E HN 0.504 nan 8.360 nan 0.000 0.445 258 A N 1.331 124.387 122.820 0.394 0.000 1.917 258 A HA -0.261 4.059 4.320 0.001 0.000 0.219 258 A C 2.150 179.937 177.584 0.338 0.000 1.182 258 A CA 1.520 53.807 52.037 0.417 0.000 0.633 258 A CB -0.269 18.986 19.000 0.424 0.000 0.819 258 A HN 0.205 nan 8.150 nan 0.000 0.448 259 R N -2.090 118.575 120.500 0.275 0.000 2.075 259 R HA -0.187 4.154 4.340 0.001 0.000 0.232 259 R C 2.027 178.447 176.300 0.200 0.000 1.126 259 R CA 1.656 57.851 56.100 0.159 0.000 0.963 259 R CB -0.395 29.968 30.300 0.106 0.000 0.858 259 R HN 0.732 nan 8.270 nan 0.000 0.435 260 W N 0.192 121.489 121.300 -0.006 0.000 2.363 260 W HA -0.155 4.505 4.660 0.001 0.000 0.296 260 W C 1.355 177.758 176.519 -0.194 0.000 1.212 260 W CA 1.443 58.686 57.345 -0.170 0.000 1.260 260 W CB -0.253 28.982 29.460 -0.376 0.000 1.131 260 W HN 0.035 nan 8.180 nan 0.000 0.530 261 F N -0.104 120.067 119.950 0.369 0.000 2.163 261 F HA -0.134 4.393 4.527 0.001 0.000 0.297 261 F C 2.225 178.129 175.800 0.174 0.000 1.094 261 F CA 1.356 59.534 58.000 0.296 0.000 1.290 261 F CB -0.606 38.621 39.000 0.379 0.000 1.017 261 F HN -0.216 nan 8.300 nan 0.000 0.483 262 I N -0.131 120.602 120.570 0.271 0.000 2.202 262 I HA -0.268 3.902 4.170 0.001 0.000 0.242 262 I C 1.894 178.168 176.117 0.261 0.000 1.091 262 I CA 1.200 62.590 61.300 0.150 0.000 1.368 262 I CB -0.490 37.340 38.000 -0.284 0.000 1.058 262 I HN 0.042 nan 8.210 nan 0.000 0.410 263 D N 1.298 121.804 120.400 0.176 0.000 2.123 263 D HA -0.178 4.463 4.640 0.001 0.000 0.196 263 D C 2.232 178.517 176.300 -0.025 0.000 0.992 263 D CA 1.666 55.731 54.000 0.107 0.000 0.833 263 D CB -0.209 40.562 40.800 -0.048 0.000 0.954 263 D HN 0.350 nan 8.370 nan 0.000 0.455 264 A N -0.307 122.407 122.820 -0.178 0.000 1.969 264 A HA -0.199 4.121 4.320 0.001 0.000 0.218 264 A C 2.129 179.791 177.584 0.131 0.000 1.169 264 A CA 1.019 52.958 52.037 -0.164 0.000 0.635 264 A CB -0.829 17.951 19.000 -0.368 0.000 0.810 264 A HN 0.311 nan 8.150 nan 0.000 0.445 265 Y N 0.513 120.891 120.300 0.131 0.000 2.200 265 Y HA 0.017 4.568 4.550 0.001 0.000 0.290 265 Y C 2.565 178.503 175.900 0.064 0.000 1.137 265 Y CA 0.888 59.085 58.100 0.162 0.000 1.163 265 Y CB -0.500 38.111 38.460 0.252 0.000 0.988 265 Y HN 0.288 nan 8.280 nan 0.000 0.518 266 A N 0.027 122.878 122.820 0.052 0.000 2.125 266 A HA -0.139 4.182 4.320 0.001 0.000 0.219 266 A C 2.100 179.533 177.584 -0.252 0.000 1.156 266 A CA 1.417 53.292 52.037 -0.269 0.000 0.671 266 A CB -0.523 18.368 19.000 -0.181 0.000 0.794 266 A HN 0.513 nan 8.150 nan 0.000 0.459 267 R N -0.865 119.543 120.500 -0.154 0.000 2.317 267 R HA 0.143 4.483 4.340 0.001 0.000 0.208 267 R C 0.185 176.398 176.300 -0.145 0.000 0.914 267 R CA -0.118 55.902 56.100 -0.134 0.000 1.060 267 R CB 0.173 30.417 30.300 -0.092 0.000 1.015 267 R HN 0.360 nan 8.270 nan 0.000 0.498 268 R N 1.460 121.839 120.500 -0.201 0.000 2.389 268 R HA 0.072 4.413 4.340 0.001 0.000 0.295 268 R C -1.487 174.693 176.300 -0.199 0.000 1.075 268 R CA -1.433 54.550 56.100 -0.195 0.000 1.005 268 R CB 0.593 30.747 30.300 -0.244 0.000 0.987 268 R HN -0.007 nan 8.270 nan 0.000 0.452 269 P HA -0.192 nan 4.420 nan 0.000 0.216 269 P C 0.081 177.306 177.300 -0.125 0.000 1.150 269 P CA 1.422 64.450 63.100 -0.120 0.000 0.837 269 P CB 0.143 31.790 31.700 -0.088 0.000 0.786 270 D N -1.200 119.125 120.400 -0.125 0.000 2.352 270 D HA 0.007 4.647 4.640 0.001 0.000 0.236 270 D C 0.789 177.002 176.300 -0.146 0.000 1.148 270 D CA -0.338 53.600 54.000 -0.102 0.000 0.844 270 D CB -0.744 40.019 40.800 -0.061 0.000 0.933 270 D HN 0.147 nan 8.370 nan 0.000 0.507 271 M N 1.710 121.154 119.600 -0.260 0.000 2.252 271 M HA -0.011 4.469 4.480 0.001 0.000 0.348 271 M C -0.313 175.883 176.300 -0.172 0.000 1.334 271 M CA 0.166 55.208 55.300 -0.430 0.000 1.071 271 M CB 0.455 32.730 32.600 -0.542 0.000 1.763 271 M HN -0.124 nan 8.290 nan 0.000 0.452 272 N N 7.131 125.835 118.700 0.006 0.000 2.462 272 N HA 0.252 4.992 4.740 0.001 0.000 0.242 272 N C -2.279 173.358 175.510 0.211 0.000 1.010 272 N CA -1.697 51.433 53.050 0.133 0.000 0.939 272 N CB 1.251 39.861 38.487 0.204 0.000 1.127 272 N HN 0.380 nan 8.380 nan 0.000 0.509 273 P HA -0.136 nan 4.420 nan 0.000 0.218 273 P C 1.543 178.991 177.300 0.247 0.000 1.146 273 P CA 0.816 64.029 63.100 0.189 0.000 0.813 273 P CB 0.543 32.304 31.700 0.103 0.000 0.778 274 L N -1.308 120.027 121.223 0.186 0.000 2.007 274 L HA -0.095 4.246 4.340 0.001 0.000 0.205 274 L C 2.273 179.244 176.870 0.169 0.000 1.073 274 L CA 1.339 56.270 54.840 0.152 0.000 0.744 274 L CB -0.547 41.576 42.059 0.106 0.000 0.898 274 L HN -0.142 nan 8.230 nan 0.000 0.435 275 I N -0.772 119.915 120.570 0.194 0.000 2.248 275 I HA -0.375 3.795 4.170 0.001 0.000 0.248 275 I C 2.388 178.613 176.117 0.181 0.000 1.107 275 I CA 1.552 62.946 61.300 0.157 0.000 1.373 275 I CB -0.307 37.790 38.000 0.161 0.000 1.055 275 I HN 0.288 nan 8.210 nan 0.000 0.418 276 F N 1.602 121.686 119.950 0.223 0.000 2.186 276 F HA -0.214 4.313 4.527 0.001 0.000 0.299 276 F C 2.483 178.332 175.800 0.081 0.000 1.090 276 F CA 1.822 59.949 58.000 0.210 0.000 1.307 276 F CB -0.260 38.898 39.000 0.263 0.000 1.019 276 F HN 0.042 nan 8.300 nan 0.000 0.489 277 E N -0.028 120.220 120.200 0.080 0.000 2.072 277 E HA -0.230 4.121 4.350 0.001 0.000 0.191 277 E C 2.198 178.740 176.600 -0.096 0.000 0.985 277 E CA 1.230 57.611 56.400 -0.032 0.000 0.801 277 E CB -0.324 29.432 29.700 0.093 0.000 0.750 277 E HN 0.411 nan 8.360 nan 0.000 0.452 278 L N 0.961 122.166 121.223 -0.029 0.000 2.046 278 L HA -0.082 4.259 4.340 0.001 0.000 0.208 278 L C 2.263 179.092 176.870 -0.069 0.000 1.077 278 L CA 2.162 56.991 54.840 -0.019 0.000 0.747 278 L CB -0.849 41.240 42.059 0.051 0.000 0.896 278 L HN 0.143 nan 8.230 nan 0.000 0.432 279 A N 0.205 122.945 122.820 -0.133 0.000 1.940 279 A HA -0.271 4.049 4.320 0.001 0.000 0.219 279 A C 2.300 179.705 177.584 -0.299 0.000 1.176 279 A CA 2.238 54.160 52.037 -0.192 0.000 0.631 279 A CB -0.636 18.210 19.000 -0.256 0.000 0.814 279 A HN 0.687 nan 8.150 nan 0.000 0.446 280 K N -1.063 119.057 120.400 -0.467 0.000 2.137 280 K HA 0.057 4.378 4.320 0.001 0.000 0.202 280 K C 1.863 178.319 176.600 -0.240 0.000 1.052 280 K CA 1.125 57.111 56.287 -0.501 0.000 0.961 280 K CB -0.484 31.640 32.500 -0.626 0.000 0.741 280 K HN 0.260 nan 8.250 nan 0.000 0.452 281 L N 2.710 123.823 121.223 -0.184 0.000 2.017 281 L HA -0.133 4.208 4.340 0.001 0.000 0.208 281 L C 2.142 178.926 176.870 -0.143 0.000 1.073 281 L CA 1.982 56.735 54.840 -0.146 0.000 0.745 281 L CB -0.991 41.046 42.059 -0.036 0.000 0.894 281 L HN 0.336 nan 8.230 nan 0.000 0.432 282 N N -0.900 117.756 118.700 -0.073 0.000 2.069 282 N HA -0.306 4.435 4.740 0.001 0.000 0.191 282 N C 1.919 177.361 175.510 -0.113 0.000 1.031 282 N CA 1.951 54.980 53.050 -0.036 0.000 0.852 282 N CB -0.541 38.001 38.487 0.091 0.000 1.018 282 N HN 0.447 nan 8.380 nan 0.000 0.423 283 F N 1.145 120.947 119.950 -0.247 0.000 2.065 283 F HA -0.203 4.325 4.527 0.001 0.000 0.298 283 F C 1.982 177.608 175.800 -0.290 0.000 1.112 283 F CA 1.642 59.489 58.000 -0.254 0.000 1.212 283 F CB -0.425 38.419 39.000 -0.261 0.000 0.975 283 F HN 0.121 nan 8.300 nan 0.000 0.476 284 N N 0.872 119.491 118.700 -0.134 0.000 2.244 284 N HA -0.145 4.596 4.740 0.001 0.000 0.183 284 N C 2.042 177.292 175.510 -0.433 0.000 1.016 284 N CA 1.727 54.511 53.050 -0.444 0.000 0.866 284 N CB -0.352 37.408 38.487 -1.212 0.000 0.980 284 N HN 0.412 nan 8.380 nan 0.000 0.430 285 I N 0.955 121.325 120.570 -0.333 0.000 2.233 285 I HA -0.154 4.017 4.170 0.001 0.000 0.243 285 I C 2.003 177.973 176.117 -0.244 0.000 1.093 285 I CA 0.803 62.005 61.300 -0.163 0.000 1.380 285 I CB -0.138 37.830 38.000 -0.053 0.000 1.067 285 I HN 0.004 nan 8.210 nan 0.000 0.413 286 I N 0.411 120.701 120.570 -0.467 0.000 2.361 286 I HA -0.308 3.863 4.170 0.001 0.000 0.251 286 I C 2.658 178.348 176.117 -0.712 0.000 1.133 286 I CA 1.230 62.084 61.300 -0.742 0.000 1.413 286 I CB -0.398 37.086 38.000 -0.860 0.000 1.073 286 I HN 0.375 nan 8.210 nan 0.000 0.424 287 Q N 1.281 120.730 119.800 -0.585 0.000 2.084 287 Q HA -0.237 4.103 4.340 0.001 0.000 0.202 287 Q C 2.365 178.281 176.000 -0.139 0.000 0.978 287 Q CA 2.001 57.566 55.803 -0.397 0.000 0.844 287 Q CB -0.079 28.423 28.738 -0.394 0.000 0.898 287 Q HN 0.540 nan 8.270 nan 0.000 0.426 288 A N 0.036 122.799 122.820 -0.095 0.000 1.883 288 A HA -0.199 4.121 4.320 0.001 0.000 0.217 288 A C 2.239 179.848 177.584 0.042 0.000 1.186 288 A CA 2.031 54.081 52.037 0.022 0.000 0.624 288 A CB -1.094 17.948 19.000 0.070 0.000 0.822 288 A HN 0.505 nan 8.150 nan 0.000 0.444 289 T N -0.860 113.707 114.554 0.021 0.000 2.746 289 T HA -0.163 4.188 4.350 0.001 0.000 0.267 289 T C 1.693 176.501 174.700 0.179 0.000 1.039 289 T CA 1.743 63.906 62.100 0.105 0.000 1.142 289 T CB -0.538 68.447 68.868 0.194 0.000 0.866 289 T HN 0.736 nan 8.240 nan 0.000 0.444 290 H N 0.835 119.965 119.070 0.101 0.000 2.352 290 H HA -0.069 4.487 4.556 0.001 0.000 0.299 290 H C 2.712 178.096 175.328 0.093 0.000 1.097 290 H CA 1.076 57.256 56.048 0.219 0.000 1.311 290 H CB 0.069 29.952 29.762 0.201 0.000 1.377 290 H HN 0.422 nan 8.280 nan 0.000 0.504 291 Q N 0.211 120.119 119.800 0.181 0.000 2.119 291 Q HA -0.202 4.139 4.340 0.001 0.000 0.201 291 Q C 2.367 178.369 176.000 0.003 0.000 0.972 291 Q CA 1.205 57.059 55.803 0.085 0.000 0.847 291 Q CB 0.022 28.817 28.738 0.095 0.000 0.903 291 Q HN 0.325 nan 8.270 nan 0.000 0.433 292 Q N 1.313 121.130 119.800 0.028 0.000 2.079 292 Q HA -0.178 4.163 4.340 0.001 0.000 0.200 292 Q C 1.425 177.403 176.000 -0.038 0.000 0.974 292 Q CA 1.690 57.497 55.803 0.007 0.000 0.840 292 Q CB 0.060 28.820 28.738 0.036 0.000 0.898 292 Q HN 0.369 nan 8.270 nan 0.000 0.430 293 E N -0.432 119.743 120.200 -0.042 0.000 2.085 293 E HA -0.192 4.158 4.350 0.001 0.000 0.194 293 E C 1.843 178.216 176.600 -0.379 0.000 0.994 293 E CA 1.183 57.505 56.400 -0.130 0.000 0.801 293 E CB -0.228 29.482 29.700 0.016 0.000 0.743 293 E HN 0.271 nan 8.360 nan 0.000 0.453 294 L N 1.604 122.474 121.223 -0.589 0.000 2.093 294 L HA -0.159 4.181 4.340 0.001 0.000 0.208 294 L C 1.821 178.558 176.870 -0.221 0.000 1.085 294 L CA 1.785 56.259 54.840 -0.610 0.000 0.755 294 L CB -0.131 41.622 42.059 -0.510 0.000 0.904 294 L HN -0.083 nan 8.230 nan 0.000 0.435 295 K N -0.538 119.784 120.400 -0.129 0.000 2.057 295 K HA -0.164 4.157 4.320 0.001 0.000 0.207 295 K C 1.734 178.328 176.600 -0.010 0.000 1.049 295 K CA 1.571 57.830 56.287 -0.046 0.000 0.931 295 K CB -0.282 32.199 32.500 -0.032 0.000 0.714 295 K HN 0.378 nan 8.250 nan 0.000 0.440 296 D N 0.997 121.381 120.400 -0.026 0.000 2.144 296 D HA -0.114 4.526 4.640 0.001 0.000 0.200 296 D C 1.979 178.321 176.300 0.069 0.000 0.978 296 D CA 0.918 54.929 54.000 0.018 0.000 0.833 296 D CB -0.109 40.689 40.800 -0.003 0.000 0.961 296 D HN 0.135 nan 8.370 nan 0.000 0.470 297 L N 0.366 121.603 121.223 0.022 0.000 2.027 297 L HA -0.141 4.199 4.340 0.001 0.000 0.206 297 L C 2.582 179.634 176.870 0.303 0.000 1.074 297 L CA 0.899 55.819 54.840 0.133 0.000 0.745 297 L CB -0.447 41.604 42.059 -0.013 0.000 0.898 297 L HN -0.015 nan 8.230 nan 0.000 0.433 298 S N -0.206 115.596 115.700 0.170 0.000 2.383 298 S HA -0.253 4.218 4.470 0.001 0.000 0.229 298 S C 2.190 176.912 174.600 0.204 0.000 1.030 298 S CA 1.463 59.789 58.200 0.210 0.000 1.002 298 S CB -0.197 63.080 63.200 0.127 0.000 0.829 298 S HN 0.297 nan 8.310 nan 0.000 0.467 299 R N -1.033 119.565 120.500 0.162 0.000 2.081 299 R HA -0.156 4.184 4.340 0.001 0.000 0.235 299 R C 2.184 178.583 176.300 0.164 0.000 1.131 299 R CA 1.898 58.075 56.100 0.130 0.000 0.960 299 R CB -0.548 29.818 30.300 0.110 0.000 0.856 299 R HN 0.682 nan 8.270 nan 0.000 0.436 300 W N 0.218 121.557 121.300 0.065 0.000 2.407 300 W HA -0.176 4.485 4.660 0.001 0.000 0.305 300 W C 1.971 178.547 176.519 0.096 0.000 1.196 300 W CA 1.034 58.418 57.345 0.065 0.000 1.311 300 W CB -0.797 28.703 29.460 0.066 0.000 1.135 300 W HN 0.195 nan 8.180 nan 0.000 0.514 301 W N 1.300 122.374 121.300 -0.376 0.000 2.335 301 W HA -0.256 4.404 4.660 0.001 0.000 0.311 301 W C 2.137 178.378 176.519 -0.463 0.000 1.213 301 W CA 2.147 59.081 57.345 -0.686 0.000 1.274 301 W CB -0.717 28.604 29.460 -0.231 0.000 1.148 301 W HN -0.158 nan 8.180 nan 0.000 0.498 302 S N 0.186 115.776 115.700 -0.184 0.000 2.400 302 S HA -0.247 4.223 4.470 0.001 0.000 0.232 302 S C 1.765 176.194 174.600 -0.284 0.000 1.025 302 S CA 1.642 59.708 58.200 -0.223 0.000 0.993 302 S CB -0.516 62.651 63.200 -0.056 0.000 0.808 302 S HN 0.354 nan 8.310 nan 0.000 0.478 303 R N 0.411 120.746 120.500 -0.275 0.000 2.148 303 R HA 0.043 4.384 4.340 0.001 0.000 0.223 303 R C 1.933 178.032 176.300 -0.336 0.000 1.088 303 R CA 0.741 56.702 56.100 -0.232 0.000 0.985 303 R CB -0.219 29.999 30.300 -0.136 0.000 0.880 303 R HN 0.253 nan 8.270 nan 0.000 0.451 304 L N 0.557 121.413 121.223 -0.612 0.000 2.156 304 L HA -0.028 4.312 4.340 0.001 0.000 0.208 304 L C 0.827 177.386 176.870 -0.518 0.000 1.095 304 L CA 1.236 55.647 54.840 -0.716 0.000 0.770 304 L CB -0.140 41.105 42.059 -1.358 0.000 0.914 304 L HN 0.425 nan 8.230 nan 0.000 0.439 305 C N -1.429 117.528 119.300 -0.572 0.000 4.358 305 C HA -0.217 4.243 4.460 0.001 0.000 0.287 305 C C 2.032 176.887 174.990 -0.225 0.000 1.414 305 C CA -0.083 58.721 59.018 -0.357 0.000 1.949 305 C CB -3.255 24.384 27.740 -0.167 0.000 1.274 305 C HN 0.388 nan 8.230 nan 0.000 0.793 306 F N 0.942 120.509 119.950 -0.637 0.000 2.091 306 F HA -0.084 4.443 4.527 0.001 0.000 0.299 306 F C 0.443 176.030 175.800 -0.355 0.000 1.103 306 F CA 2.173 59.895 58.000 -0.464 0.000 1.228 306 F CB -2.283 36.422 39.000 -0.492 0.000 0.984 306 F HN 0.226 nan 8.300 nan 0.000 0.477 307 P HA -0.198 nan 4.420 nan 0.000 0.217 307 P C 1.641 178.867 177.300 -0.123 0.000 1.148 307 P CA 1.878 64.928 63.100 -0.082 0.000 0.828 307 P CB -0.088 31.603 31.700 -0.015 0.000 0.783 308 E N -0.254 119.869 120.200 -0.127 0.000 2.033 308 E HA -0.147 4.204 4.350 0.001 0.000 0.189 308 E C 1.483 178.023 176.600 -0.100 0.000 0.979 308 E CA 0.930 57.271 56.400 -0.099 0.000 0.802 308 E CB -0.034 29.614 29.700 -0.086 0.000 0.763 308 E HN 0.007 nan 8.360 nan 0.000 0.449 309 K N -0.080 120.262 120.400 -0.097 0.000 2.365 309 K HA 0.035 4.356 4.320 0.001 0.000 0.197 309 K C 0.281 176.752 176.600 -0.214 0.000 1.042 309 K CA 0.340 56.584 56.287 -0.073 0.000 0.987 309 K CB 0.392 32.887 32.500 -0.009 0.000 0.779 309 K HN 0.112 nan 8.250 nan 0.000 0.484 310 L N 1.320 122.307 121.223 -0.394 0.000 2.637 310 L HA 0.267 4.607 4.340 0.001 0.000 0.241 310 L C -2.057 174.255 176.870 -0.930 0.000 1.398 310 L CA -1.445 52.859 54.840 -0.894 0.000 0.895 310 L CB 1.572 43.122 42.059 -0.849 0.000 1.183 310 L HN -0.166 nan 8.230 nan 0.000 0.497 311 P HA -0.211 nan 4.420 nan 0.000 0.217 311 P C 1.396 178.521 177.300 -0.291 0.000 1.148 311 P CA 1.463 64.362 63.100 -0.336 0.000 0.828 311 P CB -0.025 31.579 31.700 -0.160 0.000 0.783 312 F N -2.444 117.406 119.950 -0.165 0.000 2.699 312 F HA 0.172 4.699 4.527 0.000 0.000 0.298 312 F C 0.839 176.602 175.800 -0.062 0.000 1.154 312 F CA -0.340 57.582 58.000 -0.130 0.000 1.457 312 F CB -1.292 37.563 39.000 -0.240 0.000 1.106 312 F HN -0.243 nan 8.300 nan 0.000 0.585 313 V N 1.846 121.650 119.914 -0.184 0.000 2.713 313 V HA 0.424 4.544 4.120 0.001 0.000 0.307 313 V C 0.250 176.383 176.094 0.064 0.000 1.052 313 V CA -1.258 61.056 62.300 0.024 0.000 0.967 313 V CB 1.519 33.340 31.823 -0.004 0.000 1.019 313 V HN 0.226 nan 8.190 nan 0.000 0.459 314 R N 3.046 123.621 120.500 0.125 0.000 2.489 314 R HA 0.200 4.541 4.340 0.001 0.000 0.287 314 R C -0.704 175.704 176.300 0.180 0.000 1.053 314 R CA -0.108 56.056 56.100 0.107 0.000 1.036 314 R CB 0.243 30.606 30.300 0.105 0.000 0.966 314 R HN 0.653 nan 8.270 nan 0.000 0.432 315 D N 2.807 123.307 120.400 0.167 0.000 2.473 315 D HA 0.098 4.739 4.640 0.001 0.000 0.226 315 D C -0.406 175.999 176.300 0.176 0.000 1.089 315 D CA -0.400 53.777 54.000 0.296 0.000 0.883 315 D CB 0.565 41.549 40.800 0.306 0.000 1.029 315 D HN 0.297 nan 8.370 nan 0.000 0.517 316 R N 4.076 124.626 120.500 0.083 0.000 2.881 316 R HA 0.110 4.450 4.340 0.001 0.000 0.331 316 R C 1.038 177.327 176.300 -0.018 0.000 1.207 316 R CA -0.500 55.596 56.100 -0.005 0.000 1.265 316 R CB 0.287 30.432 30.300 -0.258 0.000 1.351 316 R HN 0.362 nan 8.270 nan 0.000 0.613 317 L N 0.601 121.745 121.223 -0.132 0.000 2.017 317 L HA -0.144 4.197 4.340 0.001 0.000 0.208 317 L C 1.797 178.718 176.870 0.084 0.000 1.073 317 L CA 1.895 56.600 54.840 -0.225 0.000 0.745 317 L CB -0.176 41.641 42.059 -0.403 0.000 0.894 317 L HN 0.053 nan 8.230 nan 0.000 0.432 318 V N -0.419 119.620 119.914 0.209 0.000 2.358 318 V HA -0.249 3.872 4.120 0.001 0.000 0.246 318 V C 2.496 178.774 176.094 0.307 0.000 1.047 318 V CA 1.838 64.295 62.300 0.262 0.000 1.035 318 V CB -0.712 31.260 31.823 0.249 0.000 0.658 318 V HN 0.439 nan 8.190 nan 0.000 0.452 319 E N 0.451 120.846 120.200 0.326 0.000 2.110 319 E HA -0.141 4.209 4.350 0.001 0.000 0.193 319 E C 2.397 179.358 176.600 0.603 0.000 0.988 319 E CA 1.507 58.156 56.400 0.414 0.000 0.804 319 E CB -0.368 29.416 29.700 0.141 0.000 0.745 319 E HN 0.507 nan 8.360 nan 0.000 0.458 320 S N 0.133 116.123 115.700 0.483 0.000 2.368 320 S HA -0.103 4.367 4.470 0.001 0.000 0.224 320 S C 1.607 176.416 174.600 0.348 0.000 1.029 320 S CA 0.759 59.229 58.200 0.450 0.000 0.988 320 S CB -0.300 63.050 63.200 0.250 0.000 0.838 320 S HN 0.303 nan 8.310 nan 0.000 0.462 321 F N 1.831 121.875 119.950 0.157 0.000 2.186 321 F HA -0.018 4.510 4.527 0.001 0.000 0.299 321 F C 1.775 177.624 175.800 0.083 0.000 1.090 321 F CA 0.630 58.672 58.000 0.070 0.000 1.307 321 F CB -0.531 38.479 39.000 0.016 0.000 1.019 321 F HN 0.228 nan 8.300 nan 0.000 0.489 322 F N 0.006 119.902 119.950 -0.092 0.000 2.126 322 F HA -0.230 4.297 4.527 0.001 0.000 0.299 322 F C 2.237 177.929 175.800 -0.182 0.000 1.096 322 F CA 1.937 59.805 58.000 -0.220 0.000 1.255 322 F CB -1.065 37.902 39.000 -0.056 0.000 0.997 322 F HN 0.155 nan 8.300 nan 0.000 0.479 323 W N 1.203 122.320 121.300 -0.305 0.000 2.358 323 W HA -0.169 4.491 4.660 0.001 0.000 0.303 323 W C 2.467 178.754 176.519 -0.387 0.000 1.208 323 W CA 2.510 59.622 57.345 -0.389 0.000 1.274 323 W CB -1.016 28.373 29.460 -0.120 0.000 1.138 323 W HN 0.195 nan 8.180 nan 0.000 0.515 324 A N -0.314 122.481 122.820 -0.040 0.000 1.933 324 A HA -0.146 4.175 4.320 0.001 0.000 0.218 324 A C 2.123 179.556 177.584 -0.252 0.000 1.175 324 A CA 1.968 53.957 52.037 -0.079 0.000 0.628 324 A CB -1.024 17.945 19.000 -0.051 0.000 0.814 324 A HN 0.052 nan 8.150 nan 0.000 0.444 325 V N -0.184 119.382 119.914 -0.580 0.000 2.343 325 V HA -0.182 3.939 4.120 0.001 0.000 0.247 325 V C 2.752 178.609 176.094 -0.395 0.000 1.051 325 V CA 1.994 63.927 62.300 -0.612 0.000 1.036 325 V CB -1.225 30.091 31.823 -0.844 0.000 0.654 325 V HN 0.616 nan 8.190 nan 0.000 0.451 326 G N -1.329 107.171 108.800 -0.500 0.000 2.421 326 G HA2 -0.260 3.701 3.960 0.001 0.000 0.217 326 G HA3 -0.260 3.701 3.960 0.001 0.000 0.217 326 G C 1.605 176.308 174.900 -0.328 0.000 1.143 326 G CA 0.934 45.761 45.100 -0.456 0.000 0.784 326 G HN 0.426 nan 8.290 nan 0.000 0.541 327 M N -0.562 118.864 119.600 -0.291 0.000 2.077 327 M HA 0.188 4.668 4.480 0.001 0.000 0.261 327 M C -0.071 175.913 176.300 -0.527 0.000 1.070 327 M CA 1.124 56.194 55.300 -0.383 0.000 1.125 327 M CB 0.126 32.529 32.600 -0.329 0.000 1.339 327 M HN 0.073 nan 8.290 nan 0.000 0.409 328 F N 0.674 120.587 119.950 -0.062 0.000 2.311 328 F HA 0.249 4.777 4.527 0.001 0.000 0.371 328 F C 0.965 176.772 175.800 0.012 0.000 1.083 328 F CA -0.610 57.409 58.000 0.032 0.000 1.113 328 F CB 0.593 39.645 39.000 0.088 0.000 1.349 328 F HN 0.140 nan 8.300 nan 0.000 0.470 329 E N 2.091 122.350 120.200 0.099 0.000 2.046 329 E HA -0.035 4.316 4.350 0.001 0.000 0.190 329 E C -1.426 175.180 176.600 0.010 0.000 0.982 329 E CA 0.222 56.629 56.400 0.012 0.000 0.800 329 E CB -0.859 28.794 29.700 -0.078 0.000 0.756 329 E HN 0.342 nan 8.360 nan 0.000 0.449 330 P HA -0.141 nan 4.420 nan 0.000 0.261 330 P C 0.050 177.314 177.300 -0.061 0.000 1.165 330 P CA 0.861 63.855 63.100 -0.177 0.000 0.759 330 P CB 0.303 31.688 31.700 -0.525 0.000 0.772 331 H N 3.368 122.343 119.070 -0.159 0.000 2.353 331 H HA -0.215 4.341 4.556 0.001 0.000 0.298 331 H C 1.736 177.036 175.328 -0.047 0.000 1.103 331 H CA 1.172 57.171 56.048 -0.082 0.000 1.293 331 H CB 0.383 30.100 29.762 -0.075 0.000 1.372 331 H HN 0.454 nan 8.280 nan 0.000 0.501 332 Q N 0.466 120.238 119.800 -0.047 0.000 2.515 332 Q HA -0.117 4.223 4.340 0.001 0.000 0.212 332 Q C -0.046 176.000 176.000 0.077 0.000 0.970 332 Q CA 1.051 56.815 55.803 -0.066 0.000 0.941 332 Q CB -0.556 28.127 28.738 -0.091 0.000 0.998 332 Q HN 0.729 nan 8.270 nan 0.000 0.518 333 H N 0.078 119.177 119.070 0.048 0.000 2.655 333 H HA 0.268 4.824 4.556 0.001 0.000 0.309 333 H C 1.381 176.692 175.328 -0.028 0.000 1.180 333 H CA -0.304 55.731 56.048 -0.021 0.000 1.087 333 H CB 0.443 30.227 29.762 0.037 0.000 1.494 333 H HN 0.429 nan 8.280 nan 0.000 0.515 334 G N 0.203 109.088 108.800 0.142 0.000 2.408 334 G HA2 -0.329 3.632 3.960 0.001 0.000 0.217 334 G HA3 -0.329 3.632 3.960 0.001 0.000 0.217 334 G C 1.291 176.209 174.900 0.030 0.000 1.150 334 G CA 0.377 45.552 45.100 0.125 0.000 0.776 334 G HN 0.478 nan 8.290 nan 0.000 0.542 335 Y N 1.209 121.462 120.300 -0.080 0.000 2.181 335 Y HA -0.152 4.399 4.550 0.001 0.000 0.288 335 Y C 3.081 178.846 175.900 -0.226 0.000 1.146 335 Y CA 2.119 60.141 58.100 -0.130 0.000 1.164 335 Y CB -0.026 38.340 38.460 -0.156 0.000 0.982 335 Y HN 0.212 nan 8.280 nan 0.000 0.515 336 Q N 0.013 119.619 119.800 -0.324 0.000 2.170 336 Q HA -0.144 4.196 4.340 0.001 0.000 0.203 336 Q C 2.269 177.946 176.000 -0.538 0.000 0.976 336 Q CA 1.645 57.016 55.803 -0.720 0.000 0.858 336 Q CB -0.228 27.559 28.738 -1.586 0.000 0.907 336 Q HN 0.409 nan 8.270 nan 0.000 0.433 337 R N 0.262 120.615 120.500 -0.245 0.000 2.066 337 R HA -0.051 4.289 4.340 0.001 0.000 0.232 337 R C 2.059 178.365 176.300 0.009 0.000 1.131 337 R CA 1.249 57.349 56.100 0.001 0.000 0.955 337 R CB -0.098 30.254 30.300 0.087 0.000 0.851 337 R HN 0.180 nan 8.270 nan 0.000 0.432 338 K N 0.398 120.749 120.400 -0.082 0.000 2.097 338 K HA -0.129 4.191 4.320 0.001 0.000 0.205 338 K C 2.123 178.565 176.600 -0.262 0.000 1.050 338 K CA 1.300 57.500 56.287 -0.145 0.000 0.938 338 K CB -0.091 32.257 32.500 -0.254 0.000 0.718 338 K HN 0.186 nan 8.250 nan 0.000 0.442 339 M N 0.642 120.040 119.600 -0.336 0.000 2.099 339 M HA -0.141 4.339 4.480 0.001 0.000 0.262 339 M C 2.201 178.432 176.300 -0.115 0.000 1.067 339 M CA 1.714 56.883 55.300 -0.218 0.000 1.124 339 M CB -0.118 32.388 32.600 -0.157 0.000 1.353 339 M HN 0.134 nan 8.290 nan 0.000 0.410 340 A N 0.530 123.325 122.820 -0.042 0.000 1.883 340 A HA -0.086 4.234 4.320 0.001 0.000 0.217 340 A C 2.351 179.927 177.584 -0.013 0.000 1.186 340 A CA 2.100 54.163 52.037 0.043 0.000 0.624 340 A CB -1.348 17.780 19.000 0.214 0.000 0.822 340 A HN 0.691 nan 8.150 nan 0.000 0.444 341 A N -1.055 121.768 122.820 0.006 0.000 1.908 341 A HA -0.109 4.211 4.320 0.001 0.000 0.218 341 A C 2.313 179.856 177.584 -0.069 0.000 1.181 341 A CA 2.401 54.462 52.037 0.040 0.000 0.627 341 A CB -1.298 17.815 19.000 0.188 0.000 0.818 341 A HN 0.455 nan 8.150 nan 0.000 0.445 342 T N 0.355 114.767 114.554 -0.237 0.000 2.708 342 T HA -0.083 4.268 4.350 0.001 0.000 0.266 342 T C 1.796 176.316 174.700 -0.301 0.000 1.037 342 T CA 1.564 63.383 62.100 -0.468 0.000 1.146 342 T CB -0.411 67.781 68.868 -1.126 0.000 0.865 342 T HN 0.447 nan 8.240 nan 0.000 0.435 343 I N 0.461 120.894 120.570 -0.228 0.000 2.315 343 I HA -0.094 4.077 4.170 0.001 0.000 0.248 343 I C 2.225 178.328 176.117 -0.023 0.000 1.117 343 I CA 1.143 62.406 61.300 -0.062 0.000 1.404 343 I CB -0.407 37.595 38.000 0.004 0.000 1.071 343 I HN 0.213 nan 8.210 nan 0.000 0.419 344 I N -0.124 120.410 120.570 -0.061 0.000 2.202 344 I HA -0.243 3.928 4.170 0.001 0.000 0.242 344 I C 2.614 178.744 176.117 0.021 0.000 1.091 344 I CA 1.105 62.353 61.300 -0.087 0.000 1.368 344 I CB -0.242 37.669 38.000 -0.147 0.000 1.058 344 I HN 0.051 nan 8.210 nan 0.000 0.410 345 V N 1.182 121.122 119.914 0.043 0.000 2.427 345 V HA -0.228 3.893 4.120 0.001 0.000 0.248 345 V C 2.256 178.464 176.094 0.189 0.000 1.051 345 V CA 1.717 64.045 62.300 0.047 0.000 1.048 345 V CB -0.078 31.617 31.823 -0.213 0.000 0.666 345 V HN 0.312 nan 8.190 nan 0.000 0.456 346 L N -0.247 121.126 121.223 0.251 0.000 2.109 346 L HA -0.014 4.326 4.340 0.001 0.000 0.207 346 L C 2.705 179.789 176.870 0.357 0.000 1.086 346 L CA 1.355 56.441 54.840 0.411 0.000 0.760 346 L CB -0.752 41.550 42.059 0.405 0.000 0.910 346 L HN 0.379 nan 8.230 nan 0.000 0.437 347 A N -0.407 122.554 122.820 0.236 0.000 1.972 347 A HA -0.176 4.145 4.320 0.001 0.000 0.219 347 A C 2.341 180.074 177.584 0.249 0.000 1.169 347 A CA 2.164 54.341 52.037 0.233 0.000 0.635 347 A CB -0.791 18.270 19.000 0.102 0.000 0.810 347 A HN 0.369 nan 8.150 nan 0.000 0.446 348 T N -0.467 114.218 114.554 0.218 0.000 2.746 348 T HA -0.104 4.247 4.350 0.001 0.000 0.267 348 T C 1.867 176.734 174.700 0.277 0.000 1.039 348 T CA 1.542 63.788 62.100 0.243 0.000 1.142 348 T CB -0.344 68.737 68.868 0.354 0.000 0.866 348 T HN 0.161 nan 8.240 nan 0.000 0.444 349 V N 1.320 121.442 119.914 0.346 0.000 2.307 349 V HA -0.102 4.018 4.120 0.001 0.000 0.245 349 V C 2.392 178.696 176.094 0.351 0.000 1.045 349 V CA 1.363 63.879 62.300 0.361 0.000 1.024 349 V CB -0.554 31.556 31.823 0.478 0.000 0.651 349 V HN 0.475 nan 8.190 nan 0.000 0.449 350 I N 0.404 121.217 120.570 0.405 0.000 2.163 350 I HA -0.282 3.889 4.170 0.001 0.000 0.243 350 I C 2.382 178.674 176.117 0.291 0.000 1.085 350 I CA 2.180 63.775 61.300 0.492 0.000 1.347 350 I CB -0.499 37.820 38.000 0.532 0.000 1.044 350 I HN 0.409 nan 8.210 nan 0.000 0.408 351 D N 1.213 121.605 120.400 -0.013 0.000 2.106 351 D HA -0.252 4.388 4.640 0.001 0.000 0.191 351 D C 1.765 178.035 176.300 -0.051 0.000 0.997 351 D CA 1.755 55.498 54.000 -0.428 0.000 0.834 351 D CB -0.067 40.593 40.800 -0.233 0.000 0.956 351 D HN 0.207 nan 8.370 nan 0.000 0.448 352 D N -0.270 120.199 120.400 0.115 0.000 2.149 352 D HA -0.138 4.503 4.640 0.001 0.000 0.198 352 D C 2.261 178.704 176.300 0.239 0.000 0.990 352 D CA 0.562 54.671 54.000 0.181 0.000 0.839 352 D CB -0.260 40.679 40.800 0.232 0.000 0.948 352 D HN 0.407 nan 8.370 nan 0.000 0.460 353 I N -0.177 120.578 120.570 0.308 0.000 2.226 353 I HA -0.297 3.873 4.170 0.001 0.000 0.245 353 I C 2.058 178.293 176.117 0.196 0.000 1.100 353 I CA 1.045 62.533 61.300 0.313 0.000 1.374 353 I CB -0.158 38.045 38.000 0.338 0.000 1.057 353 I HN 0.012 nan 8.210 nan 0.000 0.413 354 Y N 1.071 121.454 120.300 0.139 0.000 2.243 354 Y HA -0.210 4.340 4.550 0.001 0.000 0.293 354 Y C 2.063 177.989 175.900 0.043 0.000 1.124 354 Y CA 1.504 59.672 58.100 0.113 0.000 1.159 354 Y CB -0.257 38.225 38.460 0.036 0.000 1.008 354 Y HN 0.376 nan 8.280 nan 0.000 0.527 355 D N -1.971 118.503 120.400 0.124 0.000 2.363 355 D HA 0.067 4.708 4.640 0.001 0.000 0.214 355 D C 0.878 177.170 176.300 -0.013 0.000 1.093 355 D CA 0.454 54.458 54.000 0.008 0.000 0.837 355 D CB -0.085 40.691 40.800 -0.040 0.000 0.948 355 D HN 0.190 nan 8.370 nan 0.000 0.507 356 V N -1.042 118.909 119.914 0.061 0.000 3.177 356 V HA 0.112 4.232 4.120 0.001 0.000 0.219 356 V C 1.079 177.205 176.094 0.054 0.000 1.344 356 V CA 0.111 62.449 62.300 0.063 0.000 1.324 356 V CB -0.193 31.699 31.823 0.116 0.000 1.165 356 V HN 0.154 nan 8.190 nan 0.000 0.510 357 Y N 1.608 121.834 120.300 -0.123 0.000 2.464 357 Y HA 0.588 5.138 4.550 0.000 0.000 0.288 357 Y C 1.504 177.261 175.900 -0.239 0.000 1.133 357 Y CA 0.507 58.405 58.100 -0.336 0.000 1.223 357 Y CB -0.023 37.920 38.460 -0.862 0.000 1.187 357 Y HN 0.238 nan 8.280 nan 0.000 0.539 358 G N 0.859 109.631 108.800 -0.048 0.000 2.503 358 G HA2 0.357 4.317 3.960 0.001 0.000 0.257 358 G HA3 0.357 4.317 3.960 0.001 0.000 0.257 358 G C -0.272 174.619 174.900 -0.015 0.000 1.214 358 G CA 0.106 45.181 45.100 -0.043 0.000 0.839 358 G HN 0.310 nan 8.290 nan 0.000 0.559 359 T N -0.197 114.337 114.554 -0.034 0.000 2.874 359 T HA 0.237 4.588 4.350 0.001 0.000 0.281 359 T C 1.509 176.290 174.700 0.136 0.000 0.994 359 T CA -0.704 61.397 62.100 0.002 0.000 1.015 359 T CB 1.299 70.133 68.868 -0.056 0.000 1.028 359 T HN 0.234 nan 8.240 nan 0.000 0.523 360 L N 0.835 122.170 121.223 0.187 0.000 2.042 360 L HA -0.047 4.293 4.340 0.001 0.000 0.210 360 L C 2.076 179.105 176.870 0.265 0.000 1.076 360 L CA 1.935 56.988 54.840 0.354 0.000 0.749 360 L CB -1.032 41.245 42.059 0.365 0.000 0.893 360 L HN 0.745 nan 8.230 nan 0.000 0.432 361 D N -0.484 119.998 120.400 0.138 0.000 2.097 361 D HA -0.191 4.450 4.640 0.001 0.000 0.195 361 D C 2.046 178.383 176.300 0.060 0.000 0.989 361 D CA 1.533 55.589 54.000 0.093 0.000 0.827 361 D CB -0.008 40.818 40.800 0.043 0.000 0.966 361 D HN 0.530 nan 8.370 nan 0.000 0.456 362 E N 0.443 120.663 120.200 0.034 0.000 2.077 362 E HA -0.100 4.251 4.350 0.001 0.000 0.193 362 E C 2.422 179.012 176.600 -0.017 0.000 0.989 362 E CA 0.420 56.809 56.400 -0.019 0.000 0.800 362 E CB -0.117 29.559 29.700 -0.040 0.000 0.746 362 E HN 0.268 nan 8.360 nan 0.000 0.452 363 L N 0.913 122.157 121.223 0.035 0.000 2.191 363 L HA -0.181 4.159 4.340 0.001 0.000 0.212 363 L C 2.572 179.436 176.870 -0.010 0.000 1.103 363 L CA 1.011 55.874 54.840 0.037 0.000 0.769 363 L CB -0.329 41.838 42.059 0.180 0.000 0.908 363 L HN 0.196 nan 8.230 nan 0.000 0.438 364 E N 0.653 120.832 120.200 -0.035 0.000 2.047 364 E HA -0.189 4.161 4.350 0.001 0.000 0.191 364 E C 2.375 178.851 176.600 -0.207 0.000 0.987 364 E CA 0.912 57.116 56.400 -0.327 0.000 0.799 364 E CB 0.036 29.727 29.700 -0.016 0.000 0.752 364 E HN 0.436 nan 8.360 nan 0.000 0.449 365 L N 0.164 121.347 121.223 -0.066 0.000 2.083 365 L HA -0.155 4.186 4.340 0.001 0.000 0.209 365 L C 2.482 179.354 176.870 0.002 0.000 1.083 365 L CA 0.724 55.536 54.840 -0.047 0.000 0.752 365 L CB -0.482 41.553 42.059 -0.040 0.000 0.899 365 L HN 0.211 nan 8.230 nan 0.000 0.433 366 F N 1.245 121.109 119.950 -0.143 0.000 2.095 366 F HA -0.234 4.294 4.527 0.001 0.000 0.298 366 F C 2.557 178.419 175.800 0.104 0.000 1.104 366 F CA 1.996 59.950 58.000 -0.077 0.000 1.232 366 F CB -0.718 38.248 39.000 -0.056 0.000 0.987 366 F HN -0.022 nan 8.300 nan 0.000 0.475 367 T N -0.581 114.063 114.554 0.151 0.000 2.708 367 T HA -0.250 4.100 4.350 0.001 0.000 0.266 367 T C 1.558 176.276 174.700 0.030 0.000 1.037 367 T CA 1.786 63.943 62.100 0.096 0.000 1.146 367 T CB -0.585 68.153 68.868 -0.217 0.000 0.865 367 T HN 0.347 nan 8.240 nan 0.000 0.435 368 D N 0.492 120.849 120.400 -0.071 0.000 2.144 368 D HA -0.105 4.536 4.640 0.001 0.000 0.199 368 D C 2.112 178.370 176.300 -0.071 0.000 0.984 368 D CA 1.313 55.277 54.000 -0.059 0.000 0.834 368 D CB -0.210 40.542 40.800 -0.080 0.000 0.955 368 D HN 0.255 nan 8.370 nan 0.000 0.465 369 T N -0.856 113.590 114.554 -0.180 0.000 2.788 369 T HA -0.109 4.242 4.350 0.001 0.000 0.268 369 T C 1.590 176.059 174.700 -0.385 0.000 1.044 369 T CA 0.889 62.741 62.100 -0.413 0.000 1.139 369 T CB -0.478 67.947 68.868 -0.738 0.000 0.867 369 T HN 0.188 nan 8.240 nan 0.000 0.454 370 F N 1.586 121.429 119.950 -0.178 0.000 2.134 370 F HA -0.033 4.494 4.527 0.001 0.000 0.299 370 F C 2.447 178.411 175.800 0.273 0.000 1.097 370 F CA 1.002 59.085 58.000 0.138 0.000 1.264 370 F CB -0.181 38.885 39.000 0.111 0.000 1.001 370 F HN 0.031 nan 8.300 nan 0.000 0.479 371 K N 0.046 120.629 120.400 0.304 0.000 2.057 371 K HA -0.160 4.160 4.320 0.001 0.000 0.207 371 K C 2.068 178.792 176.600 0.205 0.000 1.049 371 K CA 1.362 57.773 56.287 0.208 0.000 0.931 371 K CB -0.300 32.262 32.500 0.104 0.000 0.714 371 K HN 0.275 nan 8.250 nan 0.000 0.440 372 R N -0.411 120.186 120.500 0.162 0.000 2.115 372 R HA -0.080 4.260 4.340 0.001 0.000 0.226 372 R C 0.595 177.079 176.300 0.306 0.000 1.100 372 R CA 0.365 56.555 56.100 0.151 0.000 0.980 372 R CB -0.024 30.305 30.300 0.049 0.000 0.875 372 R HN 0.377 nan 8.270 nan 0.000 0.445 373 W N 3.101 124.474 121.300 0.121 0.000 5.538 373 W HA -0.239 4.421 4.660 0.001 0.000 0.377 373 W C -0.838 175.850 176.519 0.282 0.000 1.406 373 W CA 1.064 58.572 57.345 0.272 0.000 0.940 373 W CB -1.233 28.355 29.460 0.213 0.000 2.536 373 W HN 0.324 nan 8.180 nan 0.000 1.504 374 D N -0.344 120.170 120.400 0.189 0.000 2.560 374 D HA 0.410 5.051 4.640 0.001 0.000 0.277 374 D C 1.230 177.598 176.300 0.114 0.000 1.194 374 D CA 0.803 54.887 54.000 0.140 0.000 1.092 374 D CB 0.301 41.140 40.800 0.065 0.000 1.169 374 D HN -0.053 nan 8.370 nan 0.000 0.607 375 T N -4.692 109.881 114.554 0.031 0.000 3.058 375 T HA 0.235 4.586 4.350 0.001 0.000 0.278 375 T C 0.804 175.418 174.700 -0.144 0.000 0.974 375 T CA -0.233 61.814 62.100 -0.088 0.000 0.893 375 T CB 0.100 68.911 68.868 -0.096 0.000 1.138 375 T HN 0.417 nan 8.240 nan 0.000 0.529 376 E N 1.855 122.000 120.200 -0.092 0.000 2.244 376 E HA 0.044 4.394 4.350 0.001 0.000 0.196 376 E C 2.077 178.614 176.600 -0.106 0.000 0.939 376 E CA 0.826 57.168 56.400 -0.096 0.000 0.884 376 E CB 0.194 29.857 29.700 -0.061 0.000 0.850 376 E HN 0.591 nan 8.360 nan 0.000 0.481 377 S N 1.326 116.958 115.700 -0.114 0.000 2.507 377 S HA -0.082 4.389 4.470 0.001 0.000 0.235 377 S C 1.978 176.477 174.600 -0.169 0.000 0.988 377 S CA 0.232 58.353 58.200 -0.132 0.000 0.944 377 S CB -0.341 62.772 63.200 -0.144 0.000 0.762 377 S HN 0.256 nan 8.310 nan 0.000 0.526 378 I N 2.735 123.191 120.570 -0.189 0.000 2.286 378 I HA -0.195 3.975 4.170 0.001 0.000 0.248 378 I C 2.168 178.209 176.117 -0.128 0.000 1.115 378 I CA 1.775 62.966 61.300 -0.181 0.000 1.392 378 I CB -0.550 37.358 38.000 -0.154 0.000 1.065 378 I HN 0.497 nan 8.210 nan 0.000 0.418 379 T N -1.845 112.640 114.554 -0.115 0.000 3.113 379 T HA -0.063 4.287 4.350 0.001 0.000 0.263 379 T C 1.699 176.361 174.700 -0.063 0.000 1.143 379 T CA 0.519 62.571 62.100 -0.080 0.000 1.090 379 T CB -0.447 68.376 68.868 -0.076 0.000 0.922 379 T HN 0.387 nan 8.240 nan 0.000 0.521 380 R N -0.046 120.409 120.500 -0.075 0.000 2.297 380 R HA 0.361 4.702 4.340 0.001 0.000 0.197 380 R C 0.203 176.465 176.300 -0.063 0.000 0.943 380 R CA 0.031 56.094 56.100 -0.061 0.000 1.038 380 R CB -0.086 30.175 30.300 -0.064 0.000 0.957 380 R HN 0.392 nan 8.270 nan 0.000 0.484 381 L N 1.785 122.960 121.223 -0.080 0.000 2.360 381 L HA 0.383 4.723 4.340 0.001 0.000 0.271 381 L C -2.014 174.801 176.870 -0.092 0.000 1.057 381 L CA -2.481 52.296 54.840 -0.105 0.000 0.803 381 L CB 0.699 42.678 42.059 -0.133 0.000 1.207 381 L HN -0.164 nan 8.230 nan 0.000 0.445 382 P HA -0.088 nan 4.420 nan 0.000 0.269 382 P C 0.120 177.406 177.300 -0.023 0.000 1.215 382 P CA -0.108 62.982 63.100 -0.018 0.000 0.780 382 P CB 0.527 32.263 31.700 0.059 0.000 0.898 383 Y N 3.784 124.091 120.300 0.012 0.000 2.096 383 Y HA -0.327 4.223 4.550 0.001 0.000 0.278 383 Y C 2.519 178.434 175.900 0.024 0.000 1.192 383 Y CA 2.302 60.415 58.100 0.021 0.000 1.143 383 Y CB -1.481 37.016 38.460 0.061 0.000 0.963 383 Y HN 0.454 nan 8.280 nan 0.000 0.505 384 Y N -1.767 118.485 120.300 -0.080 0.000 2.256 384 Y HA -0.211 4.340 4.550 0.001 0.000 0.288 384 Y C 2.069 177.824 175.900 -0.241 0.000 1.155 384 Y CA 1.574 59.552 58.100 -0.204 0.000 1.203 384 Y CB -0.972 37.496 38.460 0.013 0.000 0.980 384 Y HN 0.142 nan 8.280 nan 0.000 0.530 385 M N 0.208 119.259 119.600 -0.914 0.000 2.334 385 M HA -0.117 4.363 4.480 0.001 0.000 0.266 385 M C 2.173 178.373 176.300 -0.167 0.000 1.082 385 M CA 1.266 56.102 55.300 -0.772 0.000 1.141 385 M CB -0.198 31.734 32.600 -1.114 0.000 1.380 385 M HN 0.376 nan 8.290 nan 0.000 0.440 386 Q N 0.310 119.999 119.800 -0.185 0.000 2.050 386 Q HA -0.192 4.148 4.340 0.001 0.000 0.202 386 Q C 2.058 178.072 176.000 0.024 0.000 0.980 386 Q CA 1.226 57.007 55.803 -0.037 0.000 0.840 386 Q CB -0.177 28.508 28.738 -0.088 0.000 0.898 386 Q HN 0.317 nan 8.270 nan 0.000 0.424 387 L N 0.311 121.431 121.223 -0.171 0.000 1.994 387 L HA -0.204 4.137 4.340 0.001 0.000 0.208 387 L C 2.474 179.406 176.870 0.103 0.000 1.071 387 L CA 1.621 56.408 54.840 -0.088 0.000 0.745 387 L CB -0.950 40.906 42.059 -0.339 0.000 0.892 387 L HN 0.400 nan 8.230 nan 0.000 0.431 388 C N -1.483 117.795 119.300 -0.037 0.000 2.429 388 C HA -0.241 4.219 4.460 0.001 0.000 0.277 388 C C 2.856 178.117 174.990 0.451 0.000 1.262 388 C CA 0.974 60.055 59.018 0.105 0.000 1.733 388 C CB -0.992 26.827 27.740 0.132 0.000 2.010 388 C HN 0.672 nan 8.230 nan 0.000 0.483 389 Y N -0.355 120.124 120.300 0.297 0.000 2.145 389 Y HA -0.146 4.405 4.550 0.001 0.000 0.286 389 Y C 2.386 178.359 175.900 0.122 0.000 1.145 389 Y CA 2.055 60.184 58.100 0.049 0.000 1.148 389 Y CB -0.979 37.347 38.460 -0.222 0.000 0.981 389 Y HN 0.593 nan 8.280 nan 0.000 0.507 390 W N 1.007 122.127 121.300 -0.300 0.000 2.388 390 W HA -0.115 4.545 4.660 0.001 0.000 0.294 390 W C 2.209 178.679 176.519 -0.081 0.000 1.212 390 W CA 1.300 58.419 57.345 -0.377 0.000 1.271 390 W CB -0.463 28.891 29.460 -0.176 0.000 1.126 390 W HN 0.315 nan 8.180 nan 0.000 0.535 391 G N 0.203 109.112 108.800 0.181 0.000 2.402 391 G HA2 -0.243 3.718 3.960 0.001 0.000 0.216 391 G HA3 -0.243 3.718 3.960 0.001 0.000 0.216 391 G C 1.358 176.400 174.900 0.238 0.000 1.162 391 G CA 1.295 46.528 45.100 0.222 0.000 0.777 391 G HN 0.152 nan 8.290 nan 0.000 0.539 392 V N 0.856 120.949 119.914 0.298 0.000 2.307 392 V HA -0.195 3.926 4.120 0.001 0.000 0.245 392 V C 2.531 178.732 176.094 0.178 0.000 1.045 392 V CA 1.991 64.514 62.300 0.372 0.000 1.024 392 V CB -0.641 31.506 31.823 0.541 0.000 0.651 392 V HN 0.605 nan 8.190 nan 0.000 0.449 393 H N 1.077 119.934 119.070 -0.355 0.000 2.353 393 H HA -0.193 4.364 4.556 0.001 0.000 0.298 393 H C 2.111 177.196 175.328 -0.405 0.000 1.103 393 H CA 2.313 57.964 56.048 -0.662 0.000 1.293 393 H CB -0.134 28.747 29.762 -1.468 0.000 1.372 393 H HN 0.394 nan 8.280 nan 0.000 0.501 394 N N 0.187 118.699 118.700 -0.314 0.000 2.142 394 N HA -0.152 4.588 4.740 0.001 0.000 0.186 394 N C 1.928 177.393 175.510 -0.074 0.000 1.023 394 N CA 1.177 54.091 53.050 -0.227 0.000 0.852 394 N CB -0.954 37.423 38.487 -0.183 0.000 0.998 394 N HN 0.438 nan 8.380 nan 0.000 0.424 395 Y N 1.767 122.072 120.300 0.008 0.000 2.145 395 Y HA -0.096 4.455 4.550 0.001 0.000 0.286 395 Y C 1.982 177.871 175.900 -0.018 0.000 1.145 395 Y CA 1.195 59.303 58.100 0.013 0.000 1.148 395 Y CB -0.380 38.119 38.460 0.066 0.000 0.981 395 Y HN -0.091 nan 8.280 nan 0.000 0.507 396 I N -0.227 120.174 120.570 -0.282 0.000 2.208 396 I HA -0.296 3.874 4.170 0.001 0.000 0.245 396 I C 2.447 178.371 176.117 -0.321 0.000 1.097 396 I CA 1.674 62.786 61.300 -0.314 0.000 1.363 396 I CB -1.588 36.461 38.000 0.082 0.000 1.051 396 I HN 0.232 nan 8.210 nan 0.000 0.413 397 S N 0.632 116.176 115.700 -0.259 0.000 2.368 397 S HA -0.174 4.296 4.470 0.001 0.000 0.225 397 S C 1.596 176.117 174.600 -0.132 0.000 1.030 397 S CA 1.306 59.388 58.200 -0.196 0.000 0.999 397 S CB -0.209 62.848 63.200 -0.238 0.000 0.844 397 S HN 0.436 nan 8.310 nan 0.000 0.459 398 D N 1.690 121.981 120.400 -0.183 0.000 2.117 398 D HA -0.004 4.636 4.640 0.001 0.000 0.197 398 D C 2.172 178.414 176.300 -0.096 0.000 0.987 398 D CA 1.250 55.190 54.000 -0.101 0.000 0.829 398 D CB -0.508 40.232 40.800 -0.100 0.000 0.961 398 D HN 0.374 nan 8.370 nan 0.000 0.460 399 A N 1.108 123.728 122.820 -0.333 0.000 1.902 399 A HA -0.077 4.244 4.320 0.001 0.000 0.217 399 A C 2.327 179.839 177.584 -0.119 0.000 1.181 399 A CA 2.328 54.234 52.037 -0.218 0.000 0.623 399 A CB -0.790 17.959 19.000 -0.418 0.000 0.818 399 A HN 0.235 nan 8.150 nan 0.000 0.443 400 A N -1.662 121.042 122.820 -0.194 0.000 1.940 400 A HA -0.142 4.179 4.320 0.001 0.000 0.219 400 A C 2.124 179.669 177.584 -0.066 0.000 1.176 400 A CA 1.728 53.627 52.037 -0.230 0.000 0.631 400 A CB -0.770 17.991 19.000 -0.399 0.000 0.814 400 A HN 0.741 nan 8.150 nan 0.000 0.446 401 Y N 1.109 121.376 120.300 -0.054 0.000 2.163 401 Y HA -0.211 4.340 4.550 0.001 0.000 0.288 401 Y C 1.975 177.856 175.900 -0.031 0.000 1.136 401 Y CA 2.032 60.131 58.100 -0.002 0.000 1.147 401 Y CB -0.145 38.310 38.460 -0.008 0.000 0.987 401 Y HN 0.355 nan 8.280 nan 0.000 0.509 402 D N 0.393 120.831 120.400 0.062 0.000 2.123 402 D HA -0.228 4.413 4.640 0.001 0.000 0.196 402 D C 2.269 178.433 176.300 -0.226 0.000 0.992 402 D CA 2.038 56.006 54.000 -0.053 0.000 0.833 402 D CB -0.405 40.403 40.800 0.014 0.000 0.954 402 D HN 0.468 nan 8.370 nan 0.000 0.455 403 I N 0.298 120.776 120.570 -0.154 0.000 2.315 403 I HA -0.211 3.959 4.170 0.001 0.000 0.248 403 I C 2.332 178.400 176.117 -0.080 0.000 1.117 403 I CA 0.340 61.593 61.300 -0.078 0.000 1.404 403 I CB -0.046 37.980 38.000 0.042 0.000 1.071 403 I HN -0.014 nan 8.210 nan 0.000 0.419 404 L N 0.944 122.080 121.223 -0.145 0.000 2.056 404 L HA -0.180 4.160 4.340 0.001 0.000 0.207 404 L C 2.424 179.157 176.870 -0.228 0.000 1.078 404 L CA 1.891 56.651 54.840 -0.133 0.000 0.749 404 L CB -0.723 41.260 42.059 -0.127 0.000 0.901 404 L HN 0.046 nan 8.230 nan 0.000 0.433 405 K N -0.420 119.738 120.400 -0.404 0.000 2.026 405 K HA -0.171 4.149 4.320 0.001 0.000 0.208 405 K C 1.998 178.445 176.600 -0.255 0.000 1.048 405 K CA 1.528 57.600 56.287 -0.357 0.000 0.929 405 K CB -0.056 32.196 32.500 -0.413 0.000 0.713 405 K HN 0.381 nan 8.250 nan 0.000 0.439 406 E N -0.310 119.683 120.200 -0.344 0.000 2.086 406 E HA -0.079 4.272 4.350 0.001 0.000 0.190 406 E C 1.426 177.722 176.600 -0.505 0.000 0.975 406 E CA 0.969 57.069 56.400 -0.500 0.000 0.813 406 E CB 0.080 29.290 29.700 -0.817 0.000 0.768 406 E HN 0.430 nan 8.360 nan 0.000 0.457 407 H N -1.345 117.713 119.070 -0.021 0.000 2.672 407 H HA 0.264 4.821 4.556 0.001 0.000 0.277 407 H C 1.005 176.418 175.328 0.142 0.000 1.074 407 H CA 0.518 56.609 56.048 0.071 0.000 1.173 407 H CB 0.918 30.751 29.762 0.118 0.000 1.558 407 H HN 0.228 nan 8.280 nan 0.000 0.539 408 G N 1.509 110.387 108.800 0.131 0.000 2.212 408 G HA2 -0.319 3.642 3.960 0.001 0.000 0.267 408 G HA3 -0.319 3.642 3.960 0.001 0.000 0.267 408 G C -0.116 174.901 174.900 0.195 0.000 1.002 408 G CA 0.660 45.833 45.100 0.123 0.000 0.729 408 G HN 0.386 nan 8.290 nan 0.000 0.517 409 F N -0.222 119.730 119.950 0.004 0.000 2.495 409 F HA 0.722 5.249 4.527 0.001 0.000 0.327 409 F C -0.598 175.194 175.800 -0.013 0.000 1.103 409 F CA -2.666 55.281 58.000 -0.088 0.000 0.949 409 F CB 1.206 39.966 39.000 -0.401 0.000 1.142 409 F HN 0.002 nan 8.300 nan 0.000 0.457 410 F N 6.751 126.212 119.950 -0.814 0.000 2.334 410 F HA 0.320 4.847 4.527 0.001 0.000 0.367 410 F C 0.591 175.866 175.800 -0.875 0.000 1.115 410 F CA -1.283 56.335 58.000 -0.636 0.000 1.116 410 F CB 0.574 39.307 39.000 -0.445 0.000 1.230 410 F HN 0.672 nan 8.300 nan 0.000 0.484 411 C N 4.845 123.553 119.300 -0.988 0.000 2.778 411 C HA 0.228 4.689 4.460 0.001 0.000 0.294 411 C C 2.082 176.535 174.990 -0.895 0.000 1.331 411 C CA -0.483 58.009 59.018 -0.877 0.000 1.741 411 C CB -1.750 25.371 27.740 -1.031 0.000 2.106 411 C HN 0.902 nan 8.230 nan 0.000 0.603 412 L N 2.919 123.410 121.223 -1.219 0.000 2.051 412 L HA -0.272 4.068 4.340 0.001 0.000 0.214 412 L C 3.043 179.459 176.870 -0.756 0.000 1.076 412 L CA 2.890 57.159 54.840 -0.951 0.000 0.758 412 L CB -0.653 40.795 42.059 -1.018 0.000 0.890 412 L HN 0.686 nan 8.230 nan 0.000 0.433 413 Q N -2.204 117.137 119.800 -0.765 0.000 2.181 413 Q HA -0.268 4.072 4.340 0.001 0.000 0.205 413 Q C 1.991 177.500 176.000 -0.819 0.000 0.980 413 Q CA 2.345 57.691 55.803 -0.762 0.000 0.862 413 Q CB -0.841 27.421 28.738 -0.794 0.000 0.905 413 Q HN 0.651 nan 8.270 nan 0.000 0.429 414 Y N 0.822 120.797 120.300 -0.542 0.000 2.314 414 Y HA 0.047 4.597 4.550 0.001 0.000 0.294 414 Y C 2.199 177.889 175.900 -0.349 0.000 1.119 414 Y CA 0.426 58.167 58.100 -0.597 0.000 1.179 414 Y CB 0.101 38.268 38.460 -0.489 0.000 1.025 414 Y HN 0.001 nan 8.280 nan 0.000 0.541 415 L N -0.187 120.900 121.223 -0.226 0.000 2.083 415 L HA -0.217 4.124 4.340 0.001 0.000 0.209 415 L C 2.372 179.109 176.870 -0.222 0.000 1.083 415 L CA 1.413 56.175 54.840 -0.130 0.000 0.752 415 L CB -0.557 41.360 42.059 -0.237 0.000 0.899 415 L HN 0.198 nan 8.230 nan 0.000 0.433 416 R N 0.254 120.457 120.500 -0.494 0.000 2.096 416 R HA -0.191 4.149 4.340 0.001 0.000 0.235 416 R C 2.352 178.468 176.300 -0.306 0.000 1.127 416 R CA 1.357 57.053 56.100 -0.672 0.000 0.968 416 R CB -0.225 29.464 30.300 -1.018 0.000 0.861 416 R HN 0.275 nan 8.270 nan 0.000 0.440 417 K N 0.442 120.699 120.400 -0.239 0.000 2.057 417 K HA -0.094 4.227 4.320 0.001 0.000 0.207 417 K C 1.996 178.664 176.600 0.114 0.000 1.049 417 K CA 1.630 57.861 56.287 -0.093 0.000 0.931 417 K CB 0.082 32.465 32.500 -0.195 0.000 0.714 417 K HN 0.015 nan 8.250 nan 0.000 0.440 418 S N 0.382 116.225 115.700 0.239 0.000 2.359 418 S HA -0.140 4.330 4.470 0.001 0.000 0.224 418 S C 1.930 176.592 174.600 0.103 0.000 1.035 418 S CA 1.512 59.889 58.200 0.295 0.000 1.018 418 S CB -0.206 63.164 63.200 0.282 0.000 0.876 418 S HN 0.135 nan 8.310 nan 0.000 0.448 419 V N 1.173 121.116 119.914 0.047 0.000 2.323 419 V HA -0.090 4.031 4.120 0.001 0.000 0.244 419 V C 2.325 178.372 176.094 -0.078 0.000 1.041 419 V CA 1.205 63.505 62.300 -0.001 0.000 1.025 419 V CB -0.683 31.216 31.823 0.126 0.000 0.656 419 V HN 0.323 nan 8.190 nan 0.000 0.451 420 V N 0.342 120.250 119.914 -0.009 0.000 2.287 420 V HA -0.278 3.842 4.120 0.001 0.000 0.248 420 V C 2.320 178.390 176.094 -0.041 0.000 1.053 420 V CA 2.256 64.555 62.300 -0.001 0.000 1.027 420 V CB -0.717 31.132 31.823 0.044 0.000 0.646 420 V HN 0.566 nan 8.190 nan 0.000 0.447 421 D N -0.264 120.138 120.400 0.003 0.000 2.149 421 D HA -0.163 4.478 4.640 0.001 0.000 0.198 421 D C 1.958 178.192 176.300 -0.110 0.000 0.990 421 D CA 1.255 55.267 54.000 0.020 0.000 0.839 421 D CB -0.221 40.701 40.800 0.203 0.000 0.948 421 D HN 0.376 nan 8.370 nan 0.000 0.460 422 L N 0.971 122.071 121.223 -0.205 0.000 2.005 422 L HA -0.140 4.200 4.340 0.001 0.000 0.207 422 L C 2.437 178.932 176.870 -0.625 0.000 1.072 422 L CA 1.402 55.970 54.840 -0.452 0.000 0.744 422 L CB -0.708 41.089 42.059 -0.437 0.000 0.895 422 L HN 0.044 nan 8.230 nan 0.000 0.433 423 V N -3.043 116.605 119.914 -0.443 0.000 2.515 423 V HA -0.181 3.939 4.120 0.001 0.000 0.250 423 V C 2.168 178.139 176.094 -0.205 0.000 1.058 423 V CA 1.796 63.866 62.300 -0.383 0.000 1.064 423 V CB -1.067 30.528 31.823 -0.381 0.000 0.675 423 V HN 0.574 nan 8.190 nan 0.000 0.461 424 E N 1.114 121.250 120.200 -0.107 0.000 2.150 424 E HA -0.064 4.287 4.350 0.001 0.000 0.193 424 E C 2.368 178.978 176.600 0.017 0.000 0.985 424 E CA 1.256 57.674 56.400 0.031 0.000 0.814 424 E CB -0.268 29.450 29.700 0.029 0.000 0.752 424 E HN 0.749 nan 8.360 nan 0.000 0.466 425 A N 0.516 123.263 122.820 -0.121 0.000 1.929 425 A HA -0.130 4.190 4.320 0.001 0.000 0.216 425 A C 1.826 179.360 177.584 -0.082 0.000 1.176 425 A CA 0.847 52.806 52.037 -0.130 0.000 0.628 425 A CB -0.696 18.163 19.000 -0.236 0.000 0.816 425 A HN 0.296 nan 8.150 nan 0.000 0.444 426 Y N -2.262 117.895 120.300 -0.238 0.000 2.181 426 Y HA -0.230 4.320 4.550 0.001 0.000 0.288 426 Y C 2.282 178.114 175.900 -0.113 0.000 1.146 426 Y CA 1.086 58.984 58.100 -0.336 0.000 1.164 426 Y CB -0.293 37.621 38.460 -0.910 0.000 0.982 426 Y HN 0.424 nan 8.280 nan 0.000 0.515 427 F N 0.276 120.219 119.950 -0.011 0.000 2.171 427 F HA -0.234 4.293 4.527 0.001 0.000 0.300 427 F C 2.427 178.288 175.800 0.101 0.000 1.090 427 F CA 1.827 59.971 58.000 0.241 0.000 1.293 427 F CB -0.916 38.238 39.000 0.257 0.000 1.013 427 F HN 0.101 nan 8.300 nan 0.000 0.486 428 H N -0.436 118.493 119.070 -0.235 0.000 2.321 428 H HA -0.149 4.408 4.556 0.001 0.000 0.300 428 H C 2.182 177.100 175.328 -0.684 0.000 1.087 428 H CA 1.758 57.464 56.048 -0.569 0.000 1.319 428 H CB 0.009 29.438 29.762 -0.555 0.000 1.379 428 H HN 0.365 nan 8.280 nan 0.000 0.501 429 E N 0.028 120.086 120.200 -0.236 0.000 2.110 429 E HA -0.167 4.183 4.350 0.001 0.000 0.193 429 E C 2.359 179.020 176.600 0.102 0.000 0.988 429 E CA 0.592 56.987 56.400 -0.007 0.000 0.804 429 E CB -0.045 29.744 29.700 0.148 0.000 0.745 429 E HN 0.548 nan 8.360 nan 0.000 0.458 430 A N 1.700 124.539 122.820 0.032 0.000 1.902 430 A HA -0.216 4.104 4.320 0.001 0.000 0.217 430 A C 1.957 179.445 177.584 -0.161 0.000 1.181 430 A CA 1.406 53.421 52.037 -0.037 0.000 0.623 430 A CB -0.251 18.824 19.000 0.125 0.000 0.818 430 A HN 0.044 nan 8.150 nan 0.000 0.443 431 K N -1.339 118.914 120.400 -0.246 0.000 2.057 431 K HA -0.176 4.145 4.320 0.001 0.000 0.207 431 K C 1.872 178.539 176.600 0.112 0.000 1.049 431 K CA 1.433 57.613 56.287 -0.179 0.000 0.931 431 K CB -0.228 32.041 32.500 -0.384 0.000 0.714 431 K HN 0.672 nan 8.250 nan 0.000 0.440 432 W N 0.290 121.638 121.300 0.080 0.000 2.355 432 W HA -0.195 4.465 4.660 0.000 0.000 0.309 432 W C 2.259 178.873 176.519 0.157 0.000 1.206 432 W CA 0.655 58.111 57.345 0.186 0.000 1.284 432 W CB -1.293 28.323 29.460 0.259 0.000 1.145 432 W HN 0.131 nan 8.180 nan 0.000 0.502 433 Y N 0.909 121.370 120.300 0.268 0.000 2.097 433 Y HA -0.308 4.242 4.550 0.000 0.000 0.282 433 Y C 2.700 178.715 175.900 0.191 0.000 1.152 433 Y CA 2.516 60.707 58.100 0.153 0.000 1.136 433 Y CB -1.066 37.413 38.460 0.031 0.000 0.975 433 Y HN -0.078 nan 8.280 nan 0.000 0.498 434 H N -0.652 118.350 119.070 -0.113 0.000 2.491 434 H HA -0.041 4.516 4.556 0.001 0.000 0.290 434 H C 2.427 177.681 175.328 -0.123 0.000 1.050 434 H CA 1.236 57.160 56.048 -0.206 0.000 1.309 434 H CB -0.725 29.041 29.762 0.006 0.000 1.392 434 H HN 0.486 nan 8.280 nan 0.000 0.554 435 S N -1.340 114.422 115.700 0.102 0.000 2.528 435 S HA 0.162 4.632 4.470 0.001 0.000 0.219 435 S C 1.847 176.494 174.600 0.078 0.000 0.985 435 S CA 0.533 58.792 58.200 0.098 0.000 0.914 435 S CB 0.189 63.478 63.200 0.148 0.000 0.776 435 S HN 0.549 nan 8.310 nan 0.000 0.526 436 G N 0.346 109.170 108.800 0.041 0.000 2.143 436 G HA2 -0.322 3.638 3.960 0.001 0.000 0.249 436 G HA3 -0.322 3.638 3.960 0.001 0.000 0.249 436 G C -0.145 174.798 174.900 0.071 0.000 0.981 436 G CA 0.266 45.374 45.100 0.015 0.000 0.665 436 G HN 0.729 nan 8.290 nan 0.000 0.528 437 Y N 1.782 122.088 120.300 0.011 0.000 2.411 437 Y HA 0.525 5.075 4.550 0.001 0.000 0.333 437 Y C 0.408 176.222 175.900 -0.142 0.000 1.186 437 Y CA 0.726 58.801 58.100 -0.041 0.000 1.381 437 Y CB 1.150 39.617 38.460 0.012 0.000 1.273 437 Y HN 0.077 nan 8.280 nan 0.000 0.546 438 T N 8.921 122.883 114.554 -0.986 0.000 2.833 438 T HA 0.344 4.694 4.350 0.001 0.000 0.297 438 T C -2.603 171.385 174.700 -1.187 0.000 1.015 438 T CA -1.296 60.310 62.100 -0.822 0.000 0.963 438 T CB 1.133 69.721 68.868 -0.468 0.000 0.955 438 T HN 0.449 nan 8.240 nan 0.000 0.449 439 P HA 0.227 nan 4.420 nan 0.000 0.272 439 P C 0.053 177.127 177.300 -0.376 0.000 1.240 439 P CA -0.547 62.133 63.100 -0.699 0.000 0.791 439 P CB 0.460 31.676 31.700 -0.806 0.000 0.978 440 S N 0.843 116.432 115.700 -0.185 0.000 2.624 440 S HA 0.097 4.567 4.470 0.001 0.000 0.263 440 S C 1.112 175.705 174.600 -0.013 0.000 1.287 440 S CA -0.479 57.667 58.200 -0.090 0.000 0.990 440 S CB -0.034 63.153 63.200 -0.022 0.000 0.950 440 S HN 0.350 nan 8.310 nan 0.000 0.561 441 L N 1.016 122.269 121.223 0.051 0.000 2.012 441 L HA -0.072 4.269 4.340 0.001 0.000 0.210 441 L C 1.595 178.573 176.870 0.180 0.000 1.073 441 L CA 2.213 57.142 54.840 0.149 0.000 0.748 441 L CB -1.369 40.836 42.059 0.243 0.000 0.891 441 L HN 0.840 nan 8.230 nan 0.000 0.431 442 D N -1.032 119.450 120.400 0.136 0.000 2.144 442 D HA -0.206 4.434 4.640 0.001 0.000 0.200 442 D C 2.044 178.413 176.300 0.116 0.000 0.978 442 D CA 1.279 55.351 54.000 0.119 0.000 0.833 442 D CB -0.078 40.782 40.800 0.100 0.000 0.961 442 D HN 0.561 nan 8.370 nan 0.000 0.470 443 E N -0.584 119.686 120.200 0.116 0.000 2.106 443 E HA -0.230 4.120 4.350 0.001 0.000 0.192 443 E C 1.769 178.485 176.600 0.195 0.000 0.984 443 E CA 0.601 57.088 56.400 0.146 0.000 0.806 443 E CB -0.049 29.726 29.700 0.125 0.000 0.750 443 E HN 0.418 nan 8.360 nan 0.000 0.458 444 Y N 1.138 121.444 120.300 0.010 0.000 2.133 444 Y HA -0.143 4.407 4.550 0.001 0.000 0.287 444 Y C 1.925 177.898 175.900 0.122 0.000 1.134 444 Y CA 1.628 59.758 58.100 0.050 0.000 1.133 444 Y CB -0.356 38.078 38.460 -0.043 0.000 0.987 444 Y HN -0.007 nan 8.280 nan 0.000 0.502 445 L N 0.593 121.814 121.223 -0.003 0.000 2.191 445 L HA -0.233 4.108 4.340 0.001 0.000 0.212 445 L C 2.203 179.002 176.870 -0.118 0.000 1.103 445 L CA 1.664 56.432 54.840 -0.121 0.000 0.769 445 L CB -0.738 41.340 42.059 0.031 0.000 0.908 445 L HN 0.329 nan 8.230 nan 0.000 0.438 446 N N 0.180 118.863 118.700 -0.028 0.000 2.223 446 N HA -0.181 4.559 4.740 0.001 0.000 0.185 446 N C 1.570 177.049 175.510 -0.052 0.000 1.016 446 N CA 1.255 54.297 53.050 -0.012 0.000 0.863 446 N CB 0.186 38.704 38.487 0.052 0.000 0.983 446 N HN 0.157 nan 8.380 nan 0.000 0.429 447 I N -0.193 120.324 120.570 -0.088 0.000 2.729 447 I HA 0.171 4.342 4.170 0.001 0.000 0.256 447 I C 2.142 178.115 176.117 -0.239 0.000 1.115 447 I CA 0.665 61.869 61.300 -0.160 0.000 1.446 447 I CB -1.635 36.211 38.000 -0.258 0.000 1.176 447 I HN 0.105 nan 8.210 nan 0.000 0.446 448 A N 2.121 124.705 122.820 -0.392 0.000 2.076 448 A HA -0.212 4.108 4.320 0.001 0.000 0.220 448 A C 2.179 179.595 177.584 -0.278 0.000 1.160 448 A CA 1.744 53.509 52.037 -0.454 0.000 0.653 448 A CB -0.685 17.710 19.000 -1.008 0.000 0.801 448 A HN 0.611 nan 8.150 nan 0.000 0.455 449 K N -0.928 119.329 120.400 -0.239 0.000 2.432 449 K HA 0.064 4.385 4.320 0.001 0.000 0.196 449 K C 1.179 177.640 176.600 -0.231 0.000 1.038 449 K CA 0.906 57.070 56.287 -0.206 0.000 0.986 449 K CB -0.059 32.336 32.500 -0.175 0.000 0.782 449 K HN 0.365 nan 8.250 nan 0.000 0.485 450 I N 1.994 122.427 120.570 -0.227 0.000 2.810 450 I HA -0.098 4.073 4.170 0.001 0.000 0.262 450 I C 2.384 178.320 176.117 -0.302 0.000 1.131 450 I CA 1.018 62.163 61.300 -0.259 0.000 1.453 450 I CB -0.809 37.084 38.000 -0.179 0.000 1.161 450 I HN 0.297 nan 8.210 nan 0.000 0.444 451 S N 0.784 116.321 115.700 -0.272 0.000 2.447 451 S HA -0.085 4.386 4.470 0.001 0.000 0.233 451 S C 1.949 176.447 174.600 -0.170 0.000 1.006 451 S CA 0.810 58.835 58.200 -0.292 0.000 0.957 451 S CB -1.041 62.108 63.200 -0.084 0.000 0.773 451 S HN 0.240 nan 8.310 nan 0.000 0.507 452 V N 1.110 120.926 119.914 -0.164 0.000 3.141 452 V HA 0.238 4.359 4.120 0.001 0.000 0.265 452 V C 1.723 177.695 176.094 -0.203 0.000 1.126 452 V CA 1.021 63.238 62.300 -0.138 0.000 1.141 452 V CB -0.929 30.811 31.823 -0.140 0.000 0.743 452 V HN 0.955 nan 8.190 nan 0.000 0.492 453 A N -1.424 121.240 122.820 -0.259 0.000 3.383 453 A HA -0.287 4.033 4.320 0.001 0.000 0.264 453 A C 1.834 179.243 177.584 -0.290 0.000 1.154 453 A CA 1.351 53.221 52.037 -0.279 0.000 1.179 453 A CB -2.417 16.449 19.000 -0.223 0.000 1.133 453 A HN 0.629 nan 8.150 nan 0.000 0.933 454 S N 0.231 115.752 115.700 -0.297 0.000 2.365 454 S HA -0.121 4.350 4.470 0.001 0.000 0.225 454 S C -0.169 174.226 174.600 -0.342 0.000 1.039 454 S CA 1.950 59.973 58.200 -0.295 0.000 1.033 454 S CB -0.868 62.164 63.200 -0.280 0.000 0.887 454 S HN 0.701 nan 8.310 nan 0.000 0.447 455 P HA 0.054 nan 4.420 nan 0.000 0.217 455 P C 1.377 178.401 177.300 -0.461 0.000 1.151 455 P CA 1.271 63.982 63.100 -0.649 0.000 0.828 455 P CB -0.104 30.857 31.700 -1.232 0.000 0.788 456 A N -0.990 121.625 122.820 -0.342 0.000 2.019 456 A HA -0.137 4.184 4.320 0.001 0.000 0.219 456 A C 2.095 179.627 177.584 -0.088 0.000 1.164 456 A CA 1.347 53.289 52.037 -0.159 0.000 0.644 456 A CB -1.464 17.442 19.000 -0.157 0.000 0.805 456 A HN 0.146 nan 8.150 nan 0.000 0.449 457 I N -1.018 119.472 120.570 -0.133 0.000 2.585 457 I HA -0.070 4.101 4.170 0.001 0.000 0.254 457 I C 2.125 178.230 176.117 -0.021 0.000 1.129 457 I CA 0.630 61.889 61.300 -0.068 0.000 1.455 457 I CB -0.122 37.806 38.000 -0.120 0.000 1.111 457 I HN 0.241 nan 8.210 nan 0.000 0.433 458 I N 0.548 121.056 120.570 -0.103 0.000 2.193 458 I HA -0.238 3.932 4.170 0.001 0.000 0.240 458 I C 2.771 178.840 176.117 -0.079 0.000 1.084 458 I CA 1.502 62.748 61.300 -0.090 0.000 1.365 458 I CB -0.402 37.463 38.000 -0.225 0.000 1.064 458 I HN 0.240 nan 8.210 nan 0.000 0.410 459 S N 1.252 116.847 115.700 -0.175 0.000 2.374 459 S HA -0.105 4.365 4.470 0.001 0.000 0.227 459 S C -0.453 174.221 174.600 0.124 0.000 1.037 459 S CA 1.065 59.137 58.200 -0.212 0.000 1.024 459 S CB -2.060 60.838 63.200 -0.502 0.000 0.861 459 S HN 0.263 nan 8.310 nan 0.000 0.456 460 P HA -0.031 nan 4.420 nan 0.000 0.218 460 P C 1.908 179.440 177.300 0.386 0.000 1.149 460 P CA 1.808 65.152 63.100 0.407 0.000 0.817 460 P CB -0.521 31.342 31.700 0.271 0.000 0.785 461 T N -4.142 110.561 114.554 0.249 0.000 3.007 461 T HA -0.223 4.128 4.350 0.001 0.000 0.270 461 T C 1.770 176.638 174.700 0.280 0.000 1.107 461 T CA 0.594 62.819 62.100 0.209 0.000 1.118 461 T CB -1.443 67.562 68.868 0.229 0.000 0.889 461 T HN 0.066 nan 8.240 nan 0.000 0.506 462 Y N 1.928 122.257 120.300 0.048 0.000 2.114 462 Y HA -0.138 4.412 4.550 0.001 0.000 0.282 462 Y C 1.528 177.362 175.900 -0.110 0.000 1.165 462 Y CA 1.392 59.410 58.100 -0.136 0.000 1.148 462 Y CB -0.726 37.400 38.460 -0.557 0.000 0.972 462 Y HN 0.277 nan 8.280 nan 0.000 0.504 463 F N 0.038 120.104 119.950 0.193 0.000 2.699 463 F HA -0.055 4.473 4.527 0.001 0.000 0.298 463 F C 2.334 178.116 175.800 -0.030 0.000 1.154 463 F CA 1.144 59.183 58.000 0.064 0.000 1.457 463 F CB -0.688 38.455 39.000 0.237 0.000 1.106 463 F HN 0.171 nan 8.300 nan 0.000 0.585 464 T N -3.200 111.389 114.554 0.058 0.000 3.100 464 T HA 0.083 4.433 4.350 0.001 0.000 0.253 464 T C 0.295 174.775 174.700 -0.367 0.000 1.118 464 T CA 0.018 62.048 62.100 -0.116 0.000 1.058 464 T CB -0.704 68.052 68.868 -0.186 0.000 0.953 464 T HN -0.046 nan 8.240 nan 0.000 0.515 465 F N 1.311 121.077 119.950 -0.307 0.000 2.411 465 F HA 0.665 5.192 4.527 0.001 0.000 0.350 465 F C 1.645 177.142 175.800 -0.505 0.000 1.114 465 F CA -1.052 56.744 58.000 -0.340 0.000 1.135 465 F CB 0.982 39.787 39.000 -0.325 0.000 1.120 465 F HN 0.076 nan 8.300 nan 0.000 0.495 466 A N 2.949 125.637 122.820 -0.220 0.000 1.986 466 A HA -0.241 4.080 4.320 0.001 0.000 0.220 466 A C 1.864 179.327 177.584 -0.201 0.000 1.171 466 A CA 1.938 53.828 52.037 -0.245 0.000 0.640 466 A CB -0.704 18.298 19.000 0.003 0.000 0.811 466 A HN 0.791 nan 8.150 nan 0.000 0.451 467 N N 0.073 118.693 118.700 -0.134 0.000 2.313 467 N HA 0.303 5.043 4.740 0.001 0.000 0.207 467 N C 0.232 175.603 175.510 -0.232 0.000 1.141 467 N CA 0.598 53.554 53.050 -0.156 0.000 0.830 467 N CB -0.361 38.065 38.487 -0.101 0.000 1.008 467 N HN 0.345 nan 8.380 nan 0.000 0.481 468 A N 0.395 123.021 122.820 -0.323 0.000 2.401 468 A HA 0.368 4.688 4.320 0.001 0.000 0.259 468 A C 0.382 177.759 177.584 -0.345 0.000 1.103 468 A CA -0.446 51.297 52.037 -0.490 0.000 0.789 468 A CB 0.344 18.828 19.000 -0.860 0.000 1.035 468 A HN 0.308 nan 8.150 nan 0.000 0.491 469 S N 0.254 115.844 115.700 -0.183 0.000 2.564 469 S HA 0.234 4.705 4.470 0.001 0.000 0.278 469 S C 0.512 175.139 174.600 0.046 0.000 1.333 469 S CA -0.398 57.749 58.200 -0.088 0.000 1.048 469 S CB 0.066 63.265 63.200 -0.000 0.000 0.900 469 S HN 0.676 nan 8.310 nan 0.000 0.505 470 H N 1.641 120.584 119.070 -0.211 0.000 2.551 470 H HA 0.294 4.851 4.556 0.001 0.000 0.271 470 H C 0.271 175.533 175.328 -0.111 0.000 0.984 470 H CA -0.257 55.564 56.048 -0.378 0.000 1.164 470 H CB -0.238 29.265 29.762 -0.432 0.000 1.437 470 H HN 0.633 nan 8.280 nan 0.000 0.550 471 D N 0.652 121.095 120.400 0.071 0.000 2.417 471 D HA -0.050 4.590 4.640 0.001 0.000 0.250 471 D C 0.675 177.025 176.300 0.084 0.000 1.166 471 D CA 0.244 54.288 54.000 0.074 0.000 0.881 471 D CB 1.267 42.086 40.800 0.032 0.000 1.164 471 D HN 0.121 nan 8.370 nan 0.000 0.467 472 T N 3.397 118.020 114.554 0.115 0.000 2.803 472 T HA -0.164 4.187 4.350 0.001 0.000 0.269 472 T C 1.705 176.447 174.700 0.071 0.000 1.052 472 T CA 1.550 63.723 62.100 0.122 0.000 1.136 472 T CB 0.022 68.979 68.868 0.149 0.000 0.864 472 T HN 0.612 nan 8.240 nan 0.000 0.467 473 A N 0.660 123.510 122.820 0.051 0.000 1.898 473 A HA -0.009 4.311 4.320 0.001 0.000 0.216 473 A C 2.551 180.148 177.584 0.022 0.000 1.181 473 A CA 1.186 53.243 52.037 0.033 0.000 0.620 473 A CB -0.781 18.231 19.000 0.020 0.000 0.819 473 A HN 0.375 nan 8.150 nan 0.000 0.442 474 V N 0.251 120.172 119.914 0.012 0.000 2.307 474 V HA -0.249 3.871 4.120 0.001 0.000 0.245 474 V C 2.412 178.503 176.094 -0.006 0.000 1.045 474 V CA 1.978 64.280 62.300 0.002 0.000 1.024 474 V CB -0.707 31.124 31.823 0.014 0.000 0.651 474 V HN 0.565 nan 8.190 nan 0.000 0.449 475 I N 0.272 120.796 120.570 -0.076 0.000 2.226 475 I HA -0.236 3.935 4.170 0.001 0.000 0.245 475 I C 2.239 178.322 176.117 -0.056 0.000 1.100 475 I CA 1.566 62.731 61.300 -0.225 0.000 1.374 475 I CB -0.501 37.291 38.000 -0.347 0.000 1.057 475 I HN 0.323 nan 8.210 nan 0.000 0.413 476 D N 0.035 120.442 120.400 0.012 0.000 2.178 476 D HA -0.163 4.478 4.640 0.001 0.000 0.202 476 D C 2.281 178.630 176.300 0.081 0.000 0.974 476 D CA 1.293 55.336 54.000 0.073 0.000 0.841 476 D CB -0.178 40.661 40.800 0.065 0.000 0.953 476 D HN 0.186 nan 8.370 nan 0.000 0.478 477 S N 0.194 115.949 115.700 0.091 0.000 2.356 477 S HA -0.150 4.320 4.470 0.001 0.000 0.223 477 S C 1.923 176.662 174.600 0.231 0.000 1.032 477 S CA 0.657 58.956 58.200 0.165 0.000 1.005 477 S CB -0.288 63.017 63.200 0.175 0.000 0.867 477 S HN 0.171 nan 8.310 nan 0.000 0.449 478 L N 0.393 121.707 121.223 0.152 0.000 2.012 478 L HA -0.011 4.329 4.340 0.001 0.000 0.210 478 L C 1.844 178.567 176.870 -0.246 0.000 1.073 478 L CA 1.959 56.650 54.840 -0.249 0.000 0.748 478 L CB -0.815 40.814 42.059 -0.717 0.000 0.891 478 L HN 0.438 nan 8.230 nan 0.000 0.431 479 Y N -0.227 119.977 120.300 -0.161 0.000 2.544 479 Y HA -0.096 4.454 4.550 0.001 0.000 0.286 479 Y C 2.472 178.069 175.900 -0.505 0.000 1.141 479 Y CA 0.934 58.845 58.100 -0.315 0.000 1.299 479 Y CB -0.349 37.981 38.460 -0.218 0.000 1.030 479 Y HN 0.506 nan 8.280 nan 0.000 0.543 480 Q N -0.452 119.279 119.800 -0.115 0.000 2.364 480 Q HA -0.173 4.167 4.340 0.001 0.000 0.207 480 Q C -0.723 175.191 176.000 -0.142 0.000 0.970 480 Q CA 1.051 56.782 55.803 -0.120 0.000 0.888 480 Q CB -0.305 28.422 28.738 -0.019 0.000 0.951 480 Q HN 0.545 nan 8.270 nan 0.000 0.469 481 Y N 0.609 120.893 120.300 -0.026 0.000 2.879 481 Y HA -0.214 4.337 4.550 0.001 0.000 0.042 481 Y C 0.002 175.877 175.900 -0.041 0.000 2.189 481 Y CA -0.461 57.582 58.100 -0.096 0.000 1.141 481 Y CB -1.335 37.062 38.460 -0.105 0.000 1.832 481 Y HN 0.481 nan 8.280 nan 0.000 0.294 482 H N 3.481 122.577 119.070 0.043 0.000 2.929 482 H HA -0.059 4.497 4.556 0.001 0.000 0.358 482 H C 0.841 176.171 175.328 0.003 0.000 1.111 482 H CA 1.438 57.518 56.048 0.054 0.000 1.409 482 H CB 1.018 30.861 29.762 0.136 0.000 1.373 482 H HN 0.709 nan 8.280 nan 0.000 0.610 483 D N 3.917 124.167 120.400 -0.250 0.000 2.149 483 D HA -0.186 4.454 4.640 0.001 0.000 0.194 483 D C 2.307 178.626 176.300 0.030 0.000 1.001 483 D CA 1.515 55.449 54.000 -0.110 0.000 0.849 483 D CB -0.001 40.690 40.800 -0.182 0.000 0.939 483 D HN 0.597 nan 8.370 nan 0.000 0.449 484 I N 0.382 121.132 120.570 0.300 0.000 2.208 484 I HA -0.248 3.923 4.170 0.001 0.000 0.245 484 I C 2.308 178.355 176.117 -0.117 0.000 1.097 484 I CA 0.730 62.066 61.300 0.060 0.000 1.363 484 I CB -0.138 37.864 38.000 0.003 0.000 1.051 484 I HN 0.048 nan 8.210 nan 0.000 0.413 485 L N -0.579 120.569 121.223 -0.125 0.000 2.109 485 L HA -0.181 4.160 4.340 0.001 0.000 0.207 485 L C 2.696 179.414 176.870 -0.253 0.000 1.086 485 L CA 1.027 55.715 54.840 -0.253 0.000 0.760 485 L CB -0.828 41.040 42.059 -0.318 0.000 0.910 485 L HN 0.398 nan 8.230 nan 0.000 0.437 486 C N 0.260 119.458 119.300 -0.169 0.000 2.446 486 C HA -0.124 4.336 4.460 0.001 0.000 0.277 486 C C 2.844 177.718 174.990 -0.194 0.000 1.275 486 C CA 0.451 59.370 59.018 -0.166 0.000 1.727 486 C CB -0.734 26.951 27.740 -0.093 0.000 2.010 486 C HN 0.425 nan 8.230 nan 0.000 0.486 487 L N 0.986 122.092 121.223 -0.195 0.000 2.093 487 L HA -0.123 4.217 4.340 0.001 0.000 0.208 487 L C 2.819 179.490 176.870 -0.330 0.000 1.085 487 L CA 1.469 56.157 54.840 -0.254 0.000 0.755 487 L CB -0.661 41.248 42.059 -0.250 0.000 0.904 487 L HN 0.324 nan 8.230 nan 0.000 0.435 488 A N 0.119 122.749 122.820 -0.317 0.000 2.019 488 A HA -0.091 4.230 4.320 0.001 0.000 0.219 488 A C 2.360 179.773 177.584 -0.285 0.000 1.164 488 A CA 1.570 53.408 52.037 -0.332 0.000 0.644 488 A CB -0.971 17.848 19.000 -0.302 0.000 0.805 488 A HN 0.448 nan 8.150 nan 0.000 0.449 489 G N -0.102 108.537 108.800 -0.270 0.000 2.394 489 G HA2 -0.058 3.903 3.960 0.001 0.000 0.215 489 G HA3 -0.058 3.903 3.960 0.001 0.000 0.215 489 G C 1.400 176.174 174.900 -0.210 0.000 1.165 489 G CA 0.927 45.882 45.100 -0.242 0.000 0.784 489 G HN 0.338 nan 8.290 nan 0.000 0.535 490 I N 1.254 121.691 120.570 -0.221 0.000 2.142 490 I HA -0.078 4.093 4.170 0.001 0.000 0.240 490 I C 2.805 178.788 176.117 -0.223 0.000 1.078 490 I CA 0.973 62.153 61.300 -0.200 0.000 1.343 490 I CB -0.943 36.932 38.000 -0.208 0.000 1.046 490 I HN 0.159 nan 8.210 nan 0.000 0.405 491 I N 0.288 120.665 120.570 -0.321 0.000 2.335 491 I HA -0.285 3.885 4.170 0.001 0.000 0.251 491 I C 2.392 178.389 176.117 -0.201 0.000 1.129 491 I CA 0.934 62.010 61.300 -0.374 0.000 1.402 491 I CB -0.258 37.344 38.000 -0.663 0.000 1.069 491 I HN 0.240 nan 8.210 nan 0.000 0.424 492 L N 0.932 122.070 121.223 -0.142 0.000 2.162 492 L HA -0.049 4.291 4.340 0.001 0.000 0.205 492 L C 2.470 179.351 176.870 0.018 0.000 1.086 492 L CA 1.619 56.456 54.840 -0.006 0.000 0.778 492 L CB -0.921 41.129 42.059 -0.014 0.000 0.928 492 L HN 0.037 nan 8.230 nan 0.000 0.446 493 R N 0.089 120.558 120.500 -0.052 0.000 2.073 493 R HA -0.108 4.232 4.340 0.001 0.000 0.234 493 R C 2.172 178.469 176.300 -0.004 0.000 1.134 493 R CA 2.022 58.104 56.100 -0.031 0.000 0.952 493 R CB -1.010 29.252 30.300 -0.063 0.000 0.850 493 R HN 0.461 nan 8.270 nan 0.000 0.433 494 L N 0.281 121.489 121.223 -0.026 0.000 1.970 494 L HA -0.110 4.231 4.340 0.001 0.000 0.212 494 L C -0.487 176.379 176.870 -0.007 0.000 1.071 494 L CA 1.746 56.577 54.840 -0.016 0.000 0.751 494 L CB -1.470 40.554 42.059 -0.058 0.000 0.889 494 L HN 0.234 nan 8.230 nan 0.000 0.432 495 P HA -0.181 nan 4.420 nan 0.000 0.216 495 P C 1.174 178.446 177.300 -0.045 0.000 1.153 495 P CA 1.473 64.612 63.100 0.065 0.000 0.848 495 P CB -0.046 31.755 31.700 0.168 0.000 0.787 496 D N -0.317 120.017 120.400 -0.110 0.000 2.104 496 D HA -0.192 4.448 4.640 0.001 0.000 0.194 496 D C 1.253 177.350 176.300 -0.339 0.000 0.994 496 D CA 1.386 55.081 54.000 -0.509 0.000 0.830 496 D CB -0.367 40.343 40.800 -0.151 0.000 0.959 496 D HN -0.011 nan 8.370 nan 0.000 0.452 497 D N -0.190 120.144 120.400 -0.110 0.000 2.144 497 D HA -0.112 4.528 4.640 0.001 0.000 0.199 497 D C 2.099 178.376 176.300 -0.039 0.000 0.984 497 D CA 0.295 54.276 54.000 -0.032 0.000 0.834 497 D CB -0.271 40.554 40.800 0.042 0.000 0.955 497 D HN 0.196 nan 8.370 nan 0.000 0.465 498 L N 0.044 121.242 121.223 -0.043 0.000 2.083 498 L HA 0.006 4.347 4.340 0.001 0.000 0.209 498 L C 2.312 179.184 176.870 0.003 0.000 1.083 498 L CA 1.637 56.474 54.840 -0.006 0.000 0.752 498 L CB -0.795 41.273 42.059 0.015 0.000 0.899 498 L HN 0.112 nan 8.230 nan 0.000 0.433 499 G N -3.134 105.620 108.800 -0.076 0.000 2.986 499 G HA2 -0.013 3.947 3.960 0.001 0.000 0.213 499 G HA3 -0.013 3.947 3.960 0.001 0.000 0.213 499 G C 1.283 176.239 174.900 0.093 0.000 1.156 499 G CA 0.863 45.973 45.100 0.016 0.000 0.763 499 G HN 0.434 nan 8.290 nan 0.000 0.547 500 T N -2.660 111.904 114.554 0.016 0.000 2.986 500 T HA 0.088 4.438 4.350 0.001 0.000 0.264 500 T C 2.352 177.169 174.700 0.194 0.000 0.964 500 T CA 1.046 63.256 62.100 0.184 0.000 0.895 500 T CB 0.024 68.939 68.868 0.078 0.000 1.163 500 T HN 0.194 nan 8.240 nan 0.000 0.517 501 S N 1.153 116.912 115.700 0.098 0.000 2.370 501 S HA -0.232 4.239 4.470 0.001 0.000 0.226 501 S C 1.761 176.390 174.600 0.049 0.000 1.033 501 S CA 1.122 59.360 58.200 0.064 0.000 1.011 501 S CB -1.232 61.987 63.200 0.031 0.000 0.852 501 S HN 0.546 nan 8.310 nan 0.000 0.457 502 Y N 2.304 122.555 120.300 -0.081 0.000 2.069 502 Y HA -0.215 4.335 4.550 0.001 0.000 0.278 502 Y C 1.832 177.561 175.900 -0.285 0.000 1.175 502 Y CA 1.782 59.729 58.100 -0.255 0.000 1.134 502 Y CB -0.839 37.331 38.460 -0.484 0.000 0.965 502 Y HN 0.292 nan 8.280 nan 0.000 0.498 503 F N 0.222 120.154 119.950 -0.031 0.000 2.325 503 F HA -0.049 4.478 4.527 0.000 0.000 0.299 503 F C 2.225 177.972 175.800 -0.088 0.000 1.090 503 F CA 1.348 59.288 58.000 -0.100 0.000 1.392 503 F CB -0.418 38.626 39.000 0.074 0.000 1.053 503 F HN 0.089 nan 8.300 nan 0.000 0.521 504 E N 0.242 120.511 120.200 0.116 0.000 2.072 504 E HA -0.161 4.190 4.350 0.001 0.000 0.190 504 E C 2.052 178.642 176.600 -0.017 0.000 0.982 504 E CA 0.862 57.294 56.400 0.052 0.000 0.803 504 E CB -0.331 29.405 29.700 0.061 0.000 0.755 504 E HN 0.256 nan 8.360 nan 0.000 0.453 505 L N 0.899 122.090 121.223 -0.054 0.000 2.131 505 L HA -0.048 4.293 4.340 0.001 0.000 0.210 505 L C 2.054 178.865 176.870 -0.098 0.000 1.092 505 L CA 1.714 56.514 54.840 -0.068 0.000 0.759 505 L CB -0.311 41.697 42.059 -0.085 0.000 0.903 505 L HN 0.034 nan 8.230 nan 0.000 0.435 506 A N -0.254 122.454 122.820 -0.186 0.000 2.169 506 A HA -0.029 4.292 4.320 0.001 0.000 0.212 506 A C 2.245 179.789 177.584 -0.066 0.000 1.153 506 A CA 0.931 52.859 52.037 -0.181 0.000 0.756 506 A CB -0.431 18.353 19.000 -0.361 0.000 0.813 506 A HN 0.662 nan 8.150 nan 0.000 0.471 507 R N -2.058 118.425 120.500 -0.027 0.000 2.369 507 R HA 0.441 4.781 4.340 0.001 0.000 0.210 507 R C 0.583 176.894 176.300 0.018 0.000 0.881 507 R CA 0.644 56.750 56.100 0.010 0.000 1.031 507 R CB 0.078 30.395 30.300 0.028 0.000 1.184 507 R HN 0.778 nan 8.270 nan 0.000 0.581 508 G N 1.069 109.865 108.800 -0.006 0.000 3.306 508 G HA2 0.085 4.046 3.960 0.001 0.000 0.672 508 G HA3 0.085 4.046 3.960 0.001 0.000 0.672 508 G C -1.833 172.821 174.900 -0.410 0.000 1.212 508 G CA -0.192 44.885 45.100 -0.038 0.000 1.150 508 G HN 0.271 nan 8.290 nan 0.000 0.509 509 D N 0.061 120.246 120.400 -0.358 0.000 2.692 509 D HA 0.506 5.147 4.640 0.001 0.000 0.290 509 D C 0.394 176.703 176.300 0.014 0.000 1.281 509 D CA -0.238 53.548 54.000 -0.355 0.000 0.804 509 D CB 1.823 42.553 40.800 -0.115 0.000 1.331 509 D HN 0.705 nan 8.370 nan 0.000 0.432 510 V N 1.995 121.987 119.914 0.130 0.000 2.694 510 V HA 0.201 4.322 4.120 0.001 0.000 0.306 510 V C -1.828 174.366 176.094 0.166 0.000 1.054 510 V CA -0.634 61.844 62.300 0.297 0.000 1.161 510 V CB 0.369 32.443 31.823 0.418 0.000 0.916 510 V HN 0.484 nan 8.190 nan 0.000 0.490 511 P HA 0.070 nan 4.420 nan 0.000 0.262 511 P C -0.219 176.893 177.300 -0.313 0.000 1.182 511 P CA 0.306 63.346 63.100 -0.100 0.000 0.761 511 P CB 0.388 31.988 31.700 -0.165 0.000 0.795 512 K N 2.101 122.317 120.400 -0.306 0.000 2.399 512 K HA 0.274 4.594 4.320 0.001 0.000 0.247 512 K C 1.689 177.934 176.600 -0.593 0.000 1.036 512 K CA -0.395 55.610 56.287 -0.470 0.000 0.977 512 K CB -0.451 31.985 32.500 -0.107 0.000 1.272 512 K HN 0.254 nan 8.250 nan 0.000 0.501 513 T N 1.669 115.996 114.554 -0.379 0.000 2.565 513 T HA -0.190 4.161 4.350 0.001 0.000 0.265 513 T C 1.996 176.658 174.700 -0.064 0.000 1.082 513 T CA 1.616 63.629 62.100 -0.145 0.000 1.173 513 T CB -0.173 68.721 68.868 0.044 0.000 0.864 513 T HN 0.336 nan 8.240 nan 0.000 0.425 514 I N 1.206 121.760 120.570 -0.026 0.000 2.118 514 I HA -0.213 3.958 4.170 0.001 0.000 0.241 514 I C 2.687 178.817 176.117 0.022 0.000 1.070 514 I CA 1.586 62.909 61.300 0.037 0.000 1.327 514 I CB -1.430 36.587 38.000 0.028 0.000 1.034 514 I HN 0.407 nan 8.210 nan 0.000 0.405 515 Q N -0.191 119.573 119.800 -0.060 0.000 2.045 515 Q HA -0.251 4.090 4.340 0.001 0.000 0.206 515 Q C 2.585 178.514 176.000 -0.118 0.000 0.991 515 Q CA 2.592 58.341 55.803 -0.089 0.000 0.851 515 Q CB -0.085 28.579 28.738 -0.123 0.000 0.911 515 Q HN 0.547 nan 8.270 nan 0.000 0.418 516 C N -0.654 118.536 119.300 -0.182 0.000 2.425 516 C HA -0.157 4.304 4.460 0.001 0.000 0.277 516 C C 2.445 177.394 174.990 -0.067 0.000 1.280 516 C CA 0.600 59.508 59.018 -0.184 0.000 1.744 516 C CB -1.131 26.451 27.740 -0.264 0.000 1.989 516 C HN 0.584 nan 8.230 nan 0.000 0.491 517 Y N 1.185 121.419 120.300 -0.110 0.000 2.184 517 Y HA -0.096 4.454 4.550 0.001 0.000 0.290 517 Y C 2.451 178.302 175.900 -0.081 0.000 1.129 517 Y CA 1.579 59.638 58.100 -0.067 0.000 1.144 517 Y CB -0.499 37.956 38.460 -0.008 0.000 0.995 517 Y HN 0.225 nan 8.280 nan 0.000 0.513 518 M N -0.076 119.483 119.600 -0.069 0.000 2.159 518 M HA -0.212 4.269 4.480 0.001 0.000 0.263 518 M C 2.193 178.383 176.300 -0.183 0.000 1.063 518 M CA 1.983 57.197 55.300 -0.142 0.000 1.110 518 M CB -0.301 32.276 32.600 -0.038 0.000 1.374 518 M HN 0.128 nan 8.290 nan 0.000 0.411 519 K N 0.657 120.960 120.400 -0.161 0.000 2.288 519 K HA -0.157 4.163 4.320 0.001 0.000 0.201 519 K C 1.733 178.224 176.600 -0.181 0.000 1.048 519 K CA 1.104 57.295 56.287 -0.159 0.000 0.956 519 K CB 0.140 32.545 32.500 -0.159 0.000 0.746 519 K HN 0.334 nan 8.250 nan 0.000 0.461 520 E N -0.476 119.590 120.200 -0.223 0.000 2.447 520 E HA -0.049 4.302 4.350 0.001 0.000 0.195 520 E C 0.551 176.992 176.600 -0.264 0.000 1.028 520 E CA 1.165 57.436 56.400 -0.215 0.000 0.876 520 E CB 0.493 30.084 29.700 -0.182 0.000 0.885 520 E HN 0.378 nan 8.360 nan 0.000 0.500 521 T N -3.089 111.244 114.554 -0.368 0.000 3.087 521 T HA 0.163 4.513 4.350 0.001 0.000 0.283 521 T C 0.442 174.983 174.700 -0.265 0.000 0.956 521 T CA -0.121 61.759 62.100 -0.365 0.000 0.894 521 T CB 0.095 68.593 68.868 -0.618 0.000 1.160 521 T HN 0.065 nan 8.240 nan 0.000 0.532 522 N N 1.356 119.924 118.700 -0.220 0.000 2.713 522 N HA -0.159 4.582 4.740 0.001 0.000 0.251 522 N C 0.442 175.876 175.510 -0.128 0.000 1.117 522 N CA 0.928 53.892 53.050 -0.144 0.000 0.770 522 N CB -1.518 36.904 38.487 -0.107 0.000 1.137 522 N HN 0.922 nan 8.380 nan 0.000 0.566 523 A N 0.564 123.278 122.820 -0.177 0.000 2.406 523 A HA 0.469 4.790 4.320 0.001 0.000 0.243 523 A C 0.995 178.563 177.584 -0.027 0.000 1.082 523 A CA 0.347 52.328 52.037 -0.094 0.000 0.786 523 A CB 0.386 19.333 19.000 -0.089 0.000 1.029 523 A HN 0.444 nan 8.150 nan 0.000 0.495 524 S N -0.205 115.503 115.700 0.013 0.000 2.603 524 S HA 0.183 4.653 4.470 0.001 0.000 0.268 524 S C 0.842 175.476 174.600 0.057 0.000 1.317 524 S CA 0.311 58.525 58.200 0.024 0.000 1.012 524 S CB 1.037 64.251 63.200 0.023 0.000 0.926 524 S HN 0.815 nan 8.310 nan 0.000 0.539 525 E N 0.641 120.868 120.200 0.046 0.000 2.160 525 E HA -0.219 4.131 4.350 0.001 0.000 0.195 525 E C 1.376 178.016 176.600 0.068 0.000 0.991 525 E CA 1.579 58.014 56.400 0.058 0.000 0.810 525 E CB -0.111 29.613 29.700 0.039 0.000 0.742 525 E HN 0.815 nan 8.360 nan 0.000 0.466 526 E N 0.600 120.835 120.200 0.057 0.000 2.072 526 E HA -0.160 4.190 4.350 0.001 0.000 0.191 526 E C 1.844 178.492 176.600 0.078 0.000 0.985 526 E CA 1.321 57.756 56.400 0.058 0.000 0.801 526 E CB -0.053 29.674 29.700 0.044 0.000 0.750 526 E HN 0.342 nan 8.360 nan 0.000 0.452 527 E N 0.474 120.729 120.200 0.091 0.000 2.150 527 E HA -0.099 4.251 4.350 0.001 0.000 0.193 527 E C 2.008 178.718 176.600 0.185 0.000 0.985 527 E CA 0.786 57.260 56.400 0.122 0.000 0.814 527 E CB -0.107 29.661 29.700 0.113 0.000 0.752 527 E HN 0.274 nan 8.360 nan 0.000 0.466 528 A N 0.993 123.935 122.820 0.202 0.000 1.873 528 A HA -0.118 4.203 4.320 0.001 0.000 0.215 528 A C 2.494 180.134 177.584 0.093 0.000 1.186 528 A CA 0.978 53.149 52.037 0.222 0.000 0.616 528 A CB -0.607 18.546 19.000 0.254 0.000 0.823 528 A HN 0.107 nan 8.150 nan 0.000 0.442 529 V N 0.092 120.059 119.914 0.088 0.000 2.343 529 V HA -0.222 3.899 4.120 0.001 0.000 0.247 529 V C 2.594 178.733 176.094 0.074 0.000 1.051 529 V CA 2.388 64.727 62.300 0.066 0.000 1.036 529 V CB -0.662 31.198 31.823 0.062 0.000 0.654 529 V HN 0.673 nan 8.190 nan 0.000 0.451 530 E N -0.204 120.052 120.200 0.093 0.000 2.150 530 E HA -0.229 4.122 4.350 0.001 0.000 0.193 530 E C 2.055 178.733 176.600 0.129 0.000 0.985 530 E CA 1.382 57.846 56.400 0.107 0.000 0.814 530 E CB -0.328 29.432 29.700 0.100 0.000 0.752 530 E HN 0.784 nan 8.360 nan 0.000 0.466 531 H N -0.936 118.129 119.070 -0.008 0.000 2.395 531 H HA 0.024 4.580 4.556 0.001 0.000 0.299 531 H C 1.786 177.113 175.328 -0.000 0.000 1.070 531 H CA 1.670 57.685 56.048 -0.055 0.000 1.356 531 H CB -0.054 29.477 29.762 -0.385 0.000 1.401 531 H HN 0.059 nan 8.280 nan 0.000 0.524 532 V N 0.950 120.812 119.914 -0.086 0.000 2.343 532 V HA -0.232 3.888 4.120 0.001 0.000 0.247 532 V C 2.253 178.323 176.094 -0.040 0.000 1.051 532 V CA 2.051 64.290 62.300 -0.101 0.000 1.036 532 V CB -0.387 31.416 31.823 -0.035 0.000 0.654 532 V HN 0.416 nan 8.190 nan 0.000 0.451 533 K N -0.587 119.840 120.400 0.046 0.000 2.097 533 K HA -0.189 4.131 4.320 0.001 0.000 0.206 533 K C 2.102 178.787 176.600 0.143 0.000 1.049 533 K CA 1.788 58.144 56.287 0.115 0.000 0.933 533 K CB -0.350 32.242 32.500 0.154 0.000 0.717 533 K HN 0.490 nan 8.250 nan 0.000 0.442 534 F N 2.008 121.934 119.950 -0.039 0.000 2.113 534 F HA -0.139 4.388 4.527 0.001 0.000 0.297 534 F C 1.771 177.521 175.800 -0.084 0.000 1.103 534 F CA 1.235 59.208 58.000 -0.045 0.000 1.248 534 F CB -0.355 38.582 39.000 -0.106 0.000 0.999 534 F HN -0.136 nan 8.300 nan 0.000 0.475 535 L N 0.087 121.099 121.223 -0.351 0.000 2.079 535 L HA -0.255 4.085 4.340 0.001 0.000 0.210 535 L C 2.553 179.244 176.870 -0.298 0.000 1.081 535 L CA 1.443 56.030 54.840 -0.421 0.000 0.752 535 L CB -0.756 41.124 42.059 -0.299 0.000 0.896 535 L HN 0.238 nan 8.230 nan 0.000 0.433 536 I N -0.556 119.907 120.570 -0.179 0.000 2.226 536 I HA -0.286 3.884 4.170 0.001 0.000 0.245 536 I C 2.783 178.854 176.117 -0.076 0.000 1.100 536 I CA 1.264 62.469 61.300 -0.158 0.000 1.374 536 I CB -0.298 37.640 38.000 -0.104 0.000 1.057 536 I HN 0.231 nan 8.210 nan 0.000 0.413 537 R N 0.260 120.805 120.500 0.076 0.000 2.081 537 R HA -0.187 4.154 4.340 0.001 0.000 0.235 537 R C 2.200 178.550 176.300 0.083 0.000 1.131 537 R CA 1.232 57.507 56.100 0.292 0.000 0.960 537 R CB -0.282 30.195 30.300 0.295 0.000 0.856 537 R HN 0.221 nan 8.270 nan 0.000 0.436 538 E N 0.736 120.804 120.200 -0.221 0.000 2.106 538 E HA -0.079 4.271 4.350 0.001 0.000 0.192 538 E C 1.787 178.291 176.600 -0.159 0.000 0.984 538 E CA 1.325 57.556 56.400 -0.281 0.000 0.806 538 E CB -0.107 29.229 29.700 -0.606 0.000 0.750 538 E HN 0.331 nan 8.360 nan 0.000 0.458 539 A N -0.773 121.928 122.820 -0.198 0.000 1.930 539 A HA -0.142 4.179 4.320 0.001 0.000 0.217 539 A C 2.057 179.490 177.584 -0.250 0.000 1.175 539 A CA 1.198 53.084 52.037 -0.252 0.000 0.627 539 A CB -1.047 17.742 19.000 -0.352 0.000 0.815 539 A HN 0.445 nan 8.150 nan 0.000 0.443 540 W N 0.150 121.376 121.300 -0.124 0.000 2.388 540 W HA -0.060 4.600 4.660 0.001 0.000 0.294 540 W C 2.390 178.952 176.519 0.071 0.000 1.212 540 W CA 1.517 58.842 57.345 -0.034 0.000 1.271 540 W CB 0.149 29.632 29.460 0.038 0.000 1.126 540 W HN 0.288 nan 8.180 nan 0.000 0.535 541 K N 0.489 121.055 120.400 0.276 0.000 2.026 541 K HA -0.210 4.110 4.320 0.001 0.000 0.208 541 K C 1.421 178.091 176.600 0.118 0.000 1.048 541 K CA 2.014 58.415 56.287 0.190 0.000 0.929 541 K CB -0.329 32.235 32.500 0.106 0.000 0.713 541 K HN -0.008 nan 8.250 nan 0.000 0.439 542 D N 0.665 121.088 120.400 0.038 0.000 2.117 542 D HA -0.190 4.450 4.640 0.001 0.000 0.197 542 D C 1.860 178.164 176.300 0.008 0.000 0.987 542 D CA 1.221 55.221 54.000 0.000 0.000 0.829 542 D CB -0.201 40.563 40.800 -0.059 0.000 0.961 542 D HN 0.217 nan 8.370 nan 0.000 0.460 543 M N 1.305 120.887 119.600 -0.030 0.000 2.108 543 M HA -0.135 4.345 4.480 0.001 0.000 0.261 543 M C 1.331 177.702 176.300 0.117 0.000 1.066 543 M CA 1.377 56.653 55.300 -0.040 0.000 1.107 543 M CB -0.353 32.092 32.600 -0.258 0.000 1.356 543 M HN -0.157 nan 8.290 nan 0.000 0.406 544 N N -0.565 118.275 118.700 0.233 0.000 2.120 544 N HA -0.118 4.622 4.740 0.001 0.000 0.188 544 N C 1.623 177.223 175.510 0.151 0.000 1.024 544 N CA 2.118 55.313 53.050 0.243 0.000 0.852 544 N CB -0.886 37.757 38.487 0.260 0.000 1.003 544 N HN 0.474 nan 8.380 nan 0.000 0.424 545 T N 0.966 115.592 114.554 0.119 0.000 2.737 545 T HA -0.012 4.339 4.350 0.001 0.000 0.265 545 T C 2.024 176.777 174.700 0.089 0.000 1.038 545 T CA 1.343 63.496 62.100 0.089 0.000 1.144 545 T CB -0.416 68.492 68.868 0.067 0.000 0.866 545 T HN 0.319 nan 8.240 nan 0.000 0.434 546 A N 1.246 124.119 122.820 0.087 0.000 1.908 546 A HA -0.044 4.276 4.320 0.001 0.000 0.218 546 A C 2.310 180.007 177.584 0.190 0.000 1.181 546 A CA 1.306 53.413 52.037 0.117 0.000 0.627 546 A CB -0.840 18.217 19.000 0.095 0.000 0.818 546 A HN 0.528 nan 8.150 nan 0.000 0.445 547 I N -0.506 120.170 120.570 0.177 0.000 2.315 547 I HA -0.231 3.940 4.170 0.001 0.000 0.248 547 I C 2.907 179.157 176.117 0.221 0.000 1.117 547 I CA 0.949 62.403 61.300 0.256 0.000 1.404 547 I CB -0.304 37.807 38.000 0.185 0.000 1.071 547 I HN 0.362 nan 8.210 nan 0.000 0.419 548 A N 0.752 123.649 122.820 0.128 0.000 1.969 548 A HA -0.075 4.245 4.320 0.001 0.000 0.218 548 A C 2.492 180.094 177.584 0.030 0.000 1.169 548 A CA 1.491 53.565 52.037 0.062 0.000 0.635 548 A CB -0.638 18.395 19.000 0.055 0.000 0.810 548 A HN 0.414 nan 8.150 nan 0.000 0.445 549 A N -1.156 121.698 122.820 0.058 0.000 2.125 549 A HA 0.390 4.711 4.320 0.001 0.000 0.219 549 A C 1.513 179.086 177.584 -0.018 0.000 1.156 549 A CA 1.493 53.548 52.037 0.030 0.000 0.671 549 A CB -1.132 17.901 19.000 0.055 0.000 0.794 549 A HN 2.182 nan 8.150 nan 0.000 0.459 550 G N -2.199 106.573 108.800 -0.045 0.000 2.675 550 G HA2 0.243 4.203 3.960 0.001 0.000 0.686 550 G HA3 0.243 4.203 3.960 0.001 0.000 0.686 550 G C -0.686 174.099 174.900 -0.190 0.000 1.215 550 G CA -0.325 44.615 45.100 -0.267 0.000 0.777 550 G HN 1.736 nan 8.290 nan 0.000 0.638 551 Y N -1.955 118.243 120.300 -0.170 0.000 2.581 551 Y HA 0.809 5.359 4.550 0.001 0.000 0.337 551 Y C -2.213 173.370 175.900 -0.528 0.000 1.108 551 Y CA -2.186 55.697 58.100 -0.362 0.000 1.033 551 Y CB 1.431 39.688 38.460 -0.338 0.000 1.318 551 Y HN 0.409 nan 8.280 nan 0.000 0.459 552 P HA 0.290 nan 4.420 nan 0.000 0.243 552 P C -1.268 175.711 177.300 -0.535 0.000 1.672 552 P CA 0.292 63.028 63.100 -0.607 0.000 1.000 552 P CB -0.523 30.853 31.700 -0.539 0.000 1.562 553 F N -0.073 119.963 119.950 0.143 0.000 2.611 553 F HA 0.558 5.085 4.527 0.001 0.000 0.324 553 F C -2.256 173.546 175.800 0.002 0.000 1.061 553 F CA -3.353 54.698 58.000 0.085 0.000 0.954 553 F CB 0.363 39.335 39.000 -0.046 0.000 1.301 553 F HN -0.329 nan 8.300 nan 0.000 0.482 554 P HA 0.050 nan 4.420 nan 0.000 0.268 554 P C -0.002 177.164 177.300 -0.223 0.000 1.205 554 P CA 0.170 63.104 63.100 -0.277 0.000 0.771 554 P CB 0.692 31.938 31.700 -0.758 0.000 0.858 555 D N 2.358 122.690 120.400 -0.114 0.000 2.144 555 D HA -0.109 4.532 4.640 0.001 0.000 0.199 555 D C 2.180 178.375 176.300 -0.176 0.000 0.984 555 D CA 1.671 55.653 54.000 -0.030 0.000 0.834 555 D CB -0.585 40.222 40.800 0.012 0.000 0.955 555 D HN 0.541 nan 8.370 nan 0.000 0.465 556 G N 0.991 109.605 108.800 -0.309 0.000 2.442 556 G HA2 -0.271 3.690 3.960 0.001 0.000 0.219 556 G HA3 -0.271 3.690 3.960 0.001 0.000 0.219 556 G C 1.527 176.294 174.900 -0.220 0.000 1.141 556 G CA 0.595 45.575 45.100 -0.200 0.000 0.763 556 G HN 0.213 nan 8.290 nan 0.000 0.554 557 M N 0.302 119.533 119.600 -0.616 0.000 2.156 557 M HA -0.003 4.478 4.480 0.001 0.000 0.264 557 M C 2.478 178.635 176.300 -0.238 0.000 1.067 557 M CA 1.093 56.253 55.300 -0.233 0.000 1.131 557 M CB -0.026 32.393 32.600 -0.302 0.000 1.368 557 M HN 0.110 nan 8.290 nan 0.000 0.416 558 V N 0.988 120.700 119.914 -0.337 0.000 2.515 558 V HA -0.204 3.917 4.120 0.001 0.000 0.250 558 V C 2.697 178.624 176.094 -0.279 0.000 1.058 558 V CA 1.685 63.746 62.300 -0.399 0.000 1.064 558 V CB -1.386 30.029 31.823 -0.681 0.000 0.675 558 V HN 0.615 nan 8.190 nan 0.000 0.461 559 A N 0.678 123.374 122.820 -0.207 0.000 1.902 559 A HA -0.110 4.210 4.320 0.001 0.000 0.217 559 A C 2.419 179.847 177.584 -0.261 0.000 1.181 559 A CA 1.977 53.915 52.037 -0.165 0.000 0.623 559 A CB -1.150 17.799 19.000 -0.085 0.000 0.818 559 A HN 0.522 nan 8.150 nan 0.000 0.443 560 G N -0.699 107.870 108.800 -0.386 0.000 2.408 560 G HA2 0.048 4.009 3.960 0.001 0.000 0.217 560 G HA3 0.048 4.009 3.960 0.001 0.000 0.217 560 G C 1.714 176.343 174.900 -0.451 0.000 1.150 560 G CA 1.326 45.994 45.100 -0.719 0.000 0.776 560 G HN 0.780 nan 8.290 nan 0.000 0.542 561 A N 1.146 123.765 122.820 -0.335 0.000 1.898 561 A HA 0.309 4.629 4.320 0.001 0.000 0.216 561 A C 2.781 180.210 177.584 -0.258 0.000 1.181 561 A CA 2.144 54.007 52.037 -0.291 0.000 0.620 561 A CB -0.691 18.125 19.000 -0.305 0.000 0.819 561 A HN 0.722 nan 8.150 nan 0.000 0.442 562 A N -0.054 122.638 122.820 -0.213 0.000 1.930 562 A HA -0.137 4.183 4.320 0.001 0.000 0.217 562 A C 1.883 179.443 177.584 -0.039 0.000 1.175 562 A CA 1.753 53.723 52.037 -0.111 0.000 0.627 562 A CB -0.504 18.500 19.000 0.007 0.000 0.815 562 A HN 0.513 nan 8.150 nan 0.000 0.443 563 N N -0.296 118.327 118.700 -0.128 0.000 2.300 563 N HA -0.019 4.721 4.740 0.001 0.000 0.179 563 N C 1.545 176.981 175.510 -0.124 0.000 1.016 563 N CA 0.895 53.864 53.050 -0.135 0.000 0.876 563 N CB -0.413 37.940 38.487 -0.225 0.000 0.979 563 N HN 0.576 nan 8.380 nan 0.000 0.432 564 I N 0.442 120.932 120.570 -0.132 0.000 2.248 564 I HA -0.219 3.952 4.170 0.001 0.000 0.248 564 I C 1.866 178.038 176.117 0.091 0.000 1.107 564 I CA 1.398 62.702 61.300 0.006 0.000 1.373 564 I CB -0.248 37.712 38.000 -0.067 0.000 1.055 564 I HN 0.139 nan 8.210 nan 0.000 0.418 565 G N 0.082 108.860 108.800 -0.037 0.000 2.403 565 G HA2 -0.192 3.769 3.960 0.001 0.000 0.216 565 G HA3 -0.192 3.769 3.960 0.001 0.000 0.216 565 G C 1.709 176.624 174.900 0.025 0.000 1.154 565 G CA 0.274 45.352 45.100 -0.036 0.000 0.784 565 G HN 0.322 nan 8.290 nan 0.000 0.538 566 R N -0.120 120.407 120.500 0.045 0.000 2.105 566 R HA -0.052 4.289 4.340 0.001 0.000 0.239 566 R C 2.610 178.848 176.300 -0.103 0.000 1.135 566 R CA 1.153 57.265 56.100 0.019 0.000 0.967 566 R CB -0.541 29.750 30.300 -0.016 0.000 0.861 566 R HN 0.291 nan 8.270 nan 0.000 0.442 567 V N 1.063 120.832 119.914 -0.241 0.000 2.332 567 V HA -0.275 3.845 4.120 0.001 0.000 0.248 567 V C 2.474 178.267 176.094 -0.501 0.000 1.055 567 V CA 2.012 63.973 62.300 -0.566 0.000 1.038 567 V CB -0.760 30.362 31.823 -1.169 0.000 0.651 567 V HN 0.427 nan 8.190 nan 0.000 0.450 568 A N -0.849 121.855 122.820 -0.193 0.000 1.902 568 A HA -0.302 4.018 4.320 0.001 0.000 0.217 568 A C 2.173 179.791 177.584 0.057 0.000 1.181 568 A CA 1.991 54.043 52.037 0.025 0.000 0.623 568 A CB -0.516 18.739 19.000 0.426 0.000 0.818 568 A HN 0.629 nan 8.150 nan 0.000 0.443 569 Q N -2.107 117.727 119.800 0.058 0.000 2.170 569 Q HA -0.152 4.189 4.340 0.001 0.000 0.203 569 Q C 1.836 177.847 176.000 0.019 0.000 0.976 569 Q CA 1.622 57.464 55.803 0.066 0.000 0.858 569 Q CB -0.237 28.539 28.738 0.064 0.000 0.907 569 Q HN 0.801 nan 8.270 nan 0.000 0.433 570 F N 0.447 120.285 119.950 -0.186 0.000 2.123 570 F HA -0.048 4.480 4.527 0.001 0.000 0.289 570 F C 1.934 177.588 175.800 -0.244 0.000 1.099 570 F CA 0.818 58.681 58.000 -0.229 0.000 1.234 570 F CB -0.108 38.733 39.000 -0.265 0.000 1.034 570 F HN -0.092 nan 8.300 nan 0.000 0.479 571 I N -0.670 119.800 120.570 -0.166 0.000 2.567 571 I HA -0.307 3.864 4.170 0.001 0.000 0.257 571 I C 0.792 176.702 176.117 -0.344 0.000 1.184 571 I CA 1.376 62.484 61.300 -0.319 0.000 1.451 571 I CB -0.124 37.576 38.000 -0.501 0.000 1.089 571 I HN 0.255 nan 8.210 nan 0.000 0.441 572 Y N -1.459 118.820 120.300 -0.036 0.000 2.584 572 Y HA 0.062 4.613 4.550 0.001 0.000 0.254 572 Y C 1.537 177.380 175.900 -0.095 0.000 1.177 572 Y CA -0.698 57.404 58.100 0.005 0.000 1.216 572 Y CB 0.500 39.003 38.460 0.072 0.000 1.172 572 Y HN 0.077 nan 8.280 nan 0.000 0.529 573 L N 0.141 121.272 121.223 -0.154 0.000 2.042 573 L HA -0.174 4.167 4.340 0.001 0.000 0.210 573 L C 0.606 177.159 176.870 -0.529 0.000 1.076 573 L CA 2.128 56.726 54.840 -0.403 0.000 0.749 573 L CB -0.254 41.411 42.059 -0.656 0.000 0.893 573 L HN 0.245 nan 8.230 nan 0.000 0.432 574 H N -0.647 118.412 119.070 -0.019 0.000 2.535 574 H HA 0.594 5.150 4.556 0.001 0.000 0.232 574 H C 0.501 175.875 175.328 0.076 0.000 1.405 574 H CA 0.191 56.247 56.048 0.013 0.000 1.224 574 H CB -0.083 29.661 29.762 -0.030 0.000 1.763 574 H HN 0.342 nan 8.280 nan 0.000 0.529 575 G N 0.809 109.744 108.800 0.226 0.000 2.396 575 G HA2 -0.220 3.740 3.960 0.001 0.000 0.254 575 G HA3 -0.220 3.740 3.960 0.001 0.000 0.254 575 G C -1.118 174.011 174.900 0.381 0.000 1.248 575 G CA -0.688 44.580 45.100 0.281 0.000 1.033 575 G HN 0.305 nan 8.290 nan 0.000 0.502 576 D N 0.677 121.307 120.400 0.384 0.000 2.564 576 D HA 0.504 5.145 4.640 0.001 0.000 0.226 576 D C 1.538 178.050 176.300 0.352 0.000 1.149 576 D CA 0.790 55.057 54.000 0.444 0.000 0.994 576 D CB -0.009 40.971 40.800 0.300 0.000 1.029 576 D HN 0.886 nan 8.370 nan 0.000 0.517 577 G N 1.393 110.392 108.800 0.331 0.000 2.679 577 G HA2 -0.196 3.764 3.960 0.001 0.000 0.212 577 G HA3 -0.196 3.764 3.960 0.001 0.000 0.212 577 G C 0.974 176.058 174.900 0.307 0.000 1.137 577 G CA 0.071 45.307 45.100 0.228 0.000 0.787 577 G HN 0.497 nan 8.290 nan 0.000 0.534 578 F N 1.010 121.124 119.950 0.274 0.000 2.383 578 F HA 0.373 4.900 4.527 0.001 0.000 0.287 578 F C 1.897 177.824 175.800 0.212 0.000 1.069 578 F CA 1.015 59.214 58.000 0.332 0.000 1.402 578 F CB 0.203 39.497 39.000 0.489 0.000 1.116 578 F HN 0.075 nan 8.300 nan 0.000 0.549 579 G N -0.164 108.795 108.800 0.264 0.000 3.198 579 G HA2 0.115 4.076 3.960 0.001 0.000 0.203 579 G HA3 0.115 4.076 3.960 0.001 0.000 0.203 579 G C 1.134 175.924 174.900 -0.184 0.000 1.950 579 G CA 0.492 45.578 45.100 -0.023 0.000 0.798 579 G HN 0.042 nan 8.290 nan 0.000 0.720 580 V N 0.988 120.807 119.914 -0.159 0.000 2.311 580 V HA -0.263 3.858 4.120 0.001 0.000 0.259 580 V C 1.922 177.922 176.094 -0.157 0.000 1.086 580 V CA 2.413 64.546 62.300 -0.278 0.000 1.078 580 V CB -0.689 30.715 31.823 -0.699 0.000 0.668 580 V HN 0.578 nan 8.190 nan 0.000 0.452 581 Q N -1.053 118.717 119.800 -0.050 0.000 2.302 581 Q HA 0.193 4.534 4.340 0.001 0.000 0.332 581 Q C 0.916 177.037 176.000 0.201 0.000 0.913 581 Q CA -0.049 55.803 55.803 0.080 0.000 1.098 581 Q CB 0.010 28.799 28.738 0.084 0.000 1.236 581 Q HN 0.972 nan 8.270 nan 0.000 0.436 582 H N -2.142 116.937 119.070 0.015 0.000 2.556 582 H HA 0.098 4.654 4.556 0.001 0.000 0.273 582 H C 1.485 176.842 175.328 0.048 0.000 1.030 582 H CA 0.529 56.602 56.048 0.041 0.000 1.156 582 H CB 0.371 30.134 29.762 0.002 0.000 1.326 582 H HN 0.211 nan 8.280 nan 0.000 0.609 583 S N 0.740 116.447 115.700 0.011 0.000 2.478 583 S HA -0.008 4.463 4.470 0.001 0.000 0.222 583 S C 1.681 176.309 174.600 0.047 0.000 1.008 583 S CA -0.150 57.999 58.200 -0.084 0.000 0.928 583 S CB 0.117 63.245 63.200 -0.120 0.000 0.781 583 S HN 0.413 nan 8.310 nan 0.000 0.518 584 K N 1.007 121.454 120.400 0.079 0.000 2.217 584 K HA 0.065 4.386 4.320 0.001 0.000 0.202 584 K C 1.557 178.221 176.600 0.107 0.000 1.051 584 K CA 1.422 57.760 56.287 0.086 0.000 0.952 584 K CB -0.290 32.258 32.500 0.080 0.000 0.736 584 K HN 0.343 nan 8.250 nan 0.000 0.453 585 T N 0.292 114.918 114.554 0.119 0.000 3.067 585 T HA -0.067 4.284 4.350 0.001 0.000 0.257 585 T C 1.234 176.032 174.700 0.163 0.000 1.105 585 T CA 0.126 62.290 62.100 0.107 0.000 1.104 585 T CB -0.225 68.691 68.868 0.079 0.000 0.925 585 T HN 0.224 nan 8.240 nan 0.000 0.498 586 Y N 2.834 123.186 120.300 0.086 0.000 2.030 586 Y HA -0.327 4.224 4.550 0.001 0.000 0.272 586 Y C 2.109 178.155 175.900 0.244 0.000 1.185 586 Y CA 1.898 60.100 58.100 0.171 0.000 1.120 586 Y CB -0.343 38.080 38.460 -0.063 0.000 0.955 586 Y HN 0.286 nan 8.280 nan 0.000 0.495 587 E N -1.374 118.915 120.200 0.147 0.000 2.038 587 E HA -0.329 4.021 4.350 0.001 0.000 0.195 587 E C 2.129 178.733 176.600 0.007 0.000 1.000 587 E CA 1.574 58.007 56.400 0.055 0.000 0.803 587 E CB -0.538 29.250 29.700 0.147 0.000 0.750 587 E HN 0.694 nan 8.360 nan 0.000 0.448 588 H N 0.633 119.699 119.070 -0.007 0.000 2.319 588 H HA -0.127 4.430 4.556 0.001 0.000 0.297 588 H C 2.017 177.248 175.328 -0.161 0.000 1.097 588 H CA 1.979 58.017 56.048 -0.018 0.000 1.285 588 H CB -0.096 29.701 29.762 0.058 0.000 1.368 588 H HN 0.083 nan 8.280 nan 0.000 0.495 589 I N 0.036 120.489 120.570 -0.195 0.000 2.226 589 I HA -0.267 3.903 4.170 0.001 0.000 0.245 589 I C 2.743 178.549 176.117 -0.518 0.000 1.100 589 I CA 0.954 61.975 61.300 -0.465 0.000 1.374 589 I CB -0.509 37.179 38.000 -0.519 0.000 1.057 589 I HN 0.454 nan 8.210 nan 0.000 0.413 590 A N 0.956 123.570 122.820 -0.343 0.000 1.908 590 A HA -0.157 4.164 4.320 0.001 0.000 0.218 590 A C 2.433 179.930 177.584 -0.145 0.000 1.181 590 A CA 1.988 53.902 52.037 -0.205 0.000 0.627 590 A CB -1.450 17.484 19.000 -0.110 0.000 0.818 590 A HN 0.468 nan 8.150 nan 0.000 0.445 591 G N -0.654 108.066 108.800 -0.133 0.000 2.432 591 G HA2 -0.079 3.882 3.960 0.001 0.000 0.219 591 G HA3 -0.079 3.882 3.960 0.001 0.000 0.219 591 G C 1.448 176.355 174.900 0.011 0.000 1.135 591 G CA 1.243 46.309 45.100 -0.056 0.000 0.767 591 G HN 0.508 nan 8.290 nan 0.000 0.550 592 L N -0.431 120.716 121.223 -0.127 0.000 2.202 592 L HA 0.381 4.721 4.340 0.001 0.000 0.205 592 L C 2.278 179.060 176.870 -0.145 0.000 1.083 592 L CA 1.236 56.056 54.840 -0.032 0.000 0.790 592 L CB -0.054 41.957 42.059 -0.080 0.000 0.942 592 L HN 0.175 nan 8.230 nan 0.000 0.452 593 L N -2.682 118.324 121.223 -0.362 0.000 2.537 593 L HA 0.157 4.498 4.340 0.001 0.000 0.224 593 L C 1.565 178.276 176.870 -0.264 0.000 1.065 593 L CA 0.343 54.918 54.840 -0.441 0.000 0.860 593 L CB -0.061 41.493 42.059 -0.841 0.000 1.086 593 L HN 0.109 nan 8.230 nan 0.000 0.482 594 F N -0.292 119.650 119.950 -0.013 0.000 2.717 594 F HA 0.211 4.738 4.527 0.001 0.000 0.297 594 F C 0.609 176.459 175.800 0.082 0.000 1.113 594 F CA -0.449 57.571 58.000 0.034 0.000 1.319 594 F CB 0.714 39.758 39.000 0.073 0.000 1.097 594 F HN -0.095 nan 8.300 nan 0.000 0.595 595 E N 2.005 122.344 120.200 0.232 0.000 2.113 595 E HA 0.254 4.604 4.350 0.001 0.000 0.273 595 E C -2.435 174.305 176.600 0.232 0.000 0.924 595 E CA -2.245 54.274 56.400 0.198 0.000 0.764 595 E CB 1.254 31.034 29.700 0.134 0.000 1.104 595 E HN -0.139 nan 8.360 nan 0.000 0.406 596 P HA -0.089 nan 4.420 nan 0.000 0.269 596 P C -1.167 176.260 177.300 0.212 0.000 1.215 596 P CA -0.038 63.224 63.100 0.270 0.000 0.780 596 P CB 0.338 32.210 31.700 0.287 0.000 0.898 597 Y N 1.829 122.182 120.300 0.089 0.000 2.486 597 Y HA 0.408 4.958 4.550 0.001 0.000 0.348 597 Y C 0.529 176.405 175.900 -0.040 0.000 1.000 597 Y CA -0.237 57.782 58.100 -0.136 0.000 1.253 597 Y CB -0.139 38.034 38.460 -0.478 0.000 1.140 597 Y HN 0.412 nan 8.280 nan 0.000 0.526 598 A N 0.000 122.731 122.820 -0.149 0.000 2.254 598 A HA 0.000 4.320 4.320 0.001 0.000 0.244 598 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 598 A CB 0.000 18.983 19.000 -0.029 0.000 0.831 598 A HN 0.000 nan 8.150 nan 0.000 0.486