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 1uoz_1_A DATA FIRST_RESID 80 DATA SEQUENCE GHIEGRHXAN PLAGKPFYVD PASAAMVAAR NANPPNAELT SVANTPQSYW DATA SEQUENCE LDQAFPPATV GGTVARYTGA AQAAGAMPVL TLYGIPHRDc GSYASGGFAT DATA SEQUENCE GTDYRGWIDA VASGLGSSPA TIIVEPDALA MADcLSPDQR QERFDLVRYA DATA SEQUENCE VDTLTRDPAA AVYVDAGHSR WLSAEAMAAR LNDVGVGRAR GFSLNVSNFY DATA SEQUENCE TTDEEIGYGE AISGLTNGSH YVIDTSRNGA GPAPDAPLNW cNPSGRALGA DATA SEQUENCE PPTTATAGAH ADAYLWIKRP GESDGTcGRG EPQAGRFVSQ YAIDLAHNAG DATA SEQUENCE Q 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 80 G HA2 0.000 nan 3.960 nan 0.000 0.244 80 G HA3 0.000 3.940 3.960 -0.033 0.000 0.244 80 G C 0.000 174.940 174.900 0.066 0.000 0.946 80 G CA 0.000 45.130 45.100 0.050 0.000 0.502 81 H N -0.696 118.368 119.070 -0.010 0.000 3.092 81 H HA 0.308 4.845 4.556 -0.031 0.000 0.332 81 H C 0.217 175.537 175.328 -0.013 0.000 1.029 81 H CA 0.822 56.862 56.048 -0.012 0.000 1.376 81 H CB 0.307 30.062 29.762 -0.012 0.000 1.329 81 H HN 0.350 nan 8.280 nan 0.000 0.598 82 I N 4.882 125.247 120.570 -0.341 0.000 2.355 82 I HA 0.134 4.285 4.170 -0.033 0.000 0.288 82 I C 0.120 176.116 176.117 -0.203 0.000 0.999 82 I CA -0.554 60.643 61.300 -0.172 0.000 1.163 82 I CB 1.431 39.342 38.000 -0.148 0.000 1.316 82 I HN 0.672 nan 8.210 nan 0.000 0.454 83 E N 3.670 123.889 120.200 0.033 0.000 2.404 83 E HA 0.216 4.547 4.350 -0.033 0.000 0.261 83 E C 0.494 177.069 176.600 -0.042 0.000 1.074 83 E CA -0.246 56.187 56.400 0.055 0.000 0.917 83 E CB 0.813 30.548 29.700 0.059 0.000 0.965 83 E HN 0.746 nan 8.360 nan 0.000 0.433 84 G N 1.457 110.222 108.800 -0.059 0.000 2.634 84 G HA2 0.099 4.039 3.960 -0.033 0.000 0.255 84 G HA3 0.099 4.039 3.960 -0.033 0.000 0.255 84 G C -0.268 174.558 174.900 -0.123 0.000 1.205 84 G CA -0.515 44.533 45.100 -0.086 0.000 0.884 84 G HN 0.391 nan 8.290 nan 0.000 0.549 85 R N 0.102 120.547 120.500 -0.092 0.000 2.543 85 R HA 0.168 4.488 4.340 -0.033 0.000 0.277 85 R C 0.258 176.489 176.300 -0.114 0.000 1.074 85 R CA -0.307 55.751 56.100 -0.070 0.000 1.076 85 R CB 0.403 30.685 30.300 -0.030 0.000 0.993 85 R HN 0.590 nan 8.270 nan 0.000 0.459 89 N N 1.307 119.941 118.700 -0.109 0.000 2.420 89 N HA 0.315 5.036 4.740 -0.033 0.000 0.262 89 N C -1.321 174.151 175.510 -0.063 0.000 1.144 89 N CA -1.619 51.361 53.050 -0.116 0.000 0.952 89 N CB 1.063 39.492 38.487 -0.097 0.000 1.081 89 N HN 0.327 nan 8.380 nan 0.000 0.480 90 P HA -0.057 nan 4.420 nan 0.000 0.230 90 P C 0.941 178.256 177.300 0.025 0.000 1.158 90 P CA 0.848 63.943 63.100 -0.008 0.000 0.769 90 P CB 0.430 32.130 31.700 0.001 0.000 0.807 91 L N -1.500 119.757 121.223 0.057 0.000 2.567 91 L HA 0.237 4.557 4.340 -0.033 0.000 0.225 91 L C 1.329 178.170 176.870 -0.049 0.000 1.119 91 L CA -0.247 54.651 54.840 0.098 0.000 0.871 91 L CB -0.425 41.790 42.059 0.259 0.000 1.036 91 L HN -0.128 nan 8.230 nan 0.000 0.459 92 A N -0.096 122.683 122.820 -0.067 0.000 2.316 92 A HA 0.568 4.869 4.320 -0.033 0.000 0.284 92 A C 1.111 178.616 177.584 -0.131 0.000 1.115 92 A CA 0.573 52.542 52.037 -0.112 0.000 0.812 92 A CB 0.700 19.646 19.000 -0.089 0.000 1.064 92 A HN 0.395 nan 8.150 nan 0.000 0.489 93 G N 0.724 109.432 108.800 -0.154 0.000 2.316 93 G HA2 -0.129 3.811 3.960 -0.033 0.000 0.203 93 G HA3 -0.129 3.811 3.960 -0.033 0.000 0.203 93 G C 0.088 174.901 174.900 -0.145 0.000 0.999 93 G CA 0.314 45.336 45.100 -0.130 0.000 0.649 93 G HN 1.444 nan 8.290 nan 0.000 0.489 94 K N 0.384 120.662 120.400 -0.204 0.000 2.512 94 K HA 0.715 5.016 4.320 -0.033 0.000 0.263 94 K C -3.126 173.275 176.600 -0.331 0.000 0.966 94 K CA -1.805 54.360 56.287 -0.203 0.000 0.851 94 K CB 2.783 35.196 32.500 -0.146 0.000 1.395 94 K HN 0.046 nan 8.250 nan 0.000 0.440 95 P HA 0.093 nan 4.420 nan 0.000 0.270 95 P C -0.824 176.283 177.300 -0.322 0.000 1.223 95 P CA -0.171 62.758 63.100 -0.286 0.000 0.785 95 P CB 0.175 31.806 31.700 -0.114 0.000 0.923 96 F N -0.067 119.886 119.950 0.005 0.000 2.429 96 F HA 0.144 4.650 4.527 -0.035 0.000 0.348 96 F C 1.071 176.923 175.800 0.087 0.000 1.109 96 F CA -0.082 57.944 58.000 0.044 0.000 1.232 96 F CB -0.237 38.775 39.000 0.020 0.000 1.157 96 F HN 0.252 nan 8.300 nan 0.000 0.564 97 Y N 2.602 123.003 120.300 0.169 0.000 2.442 97 Y HA 0.362 4.892 4.550 -0.032 0.000 0.330 97 Y C -0.390 175.555 175.900 0.074 0.000 1.129 97 Y CA -0.782 57.353 58.100 0.058 0.000 1.365 97 Y CB 0.424 38.881 38.460 -0.006 0.000 1.233 97 Y HN 0.274 nan 8.280 nan 0.000 0.529 98 V N 7.178 126.861 119.914 -0.384 0.000 2.385 98 V HA 0.064 4.164 4.120 -0.033 0.000 0.269 98 V C -0.146 175.473 176.094 -0.791 0.000 1.043 98 V CA -0.870 61.191 62.300 -0.398 0.000 0.906 98 V CB 0.895 32.588 31.823 -0.218 0.000 0.995 98 V HN 0.708 nan 8.190 nan 0.000 0.467 99 D N 8.528 128.626 120.400 -0.504 0.000 2.382 99 D HA 0.106 4.726 4.640 -0.033 0.000 0.259 99 D C -1.043 175.107 176.300 -0.249 0.000 1.224 99 D CA -1.730 52.038 54.000 -0.387 0.000 0.894 99 D CB 1.646 42.426 40.800 -0.032 0.000 1.127 99 D HN 0.294 nan 8.370 nan 0.000 0.487 100 P HA 0.030 nan 4.420 nan 0.000 0.233 100 P C 0.236 177.495 177.300 -0.068 0.000 1.167 100 P CA 0.327 63.354 63.100 -0.121 0.000 0.770 100 P CB 0.439 32.090 31.700 -0.080 0.000 0.837 101 A N -0.222 122.566 122.820 -0.054 0.000 2.589 101 A HA 0.330 4.630 4.320 -0.033 0.000 0.283 101 A C 0.906 178.468 177.584 -0.036 0.000 1.187 101 A CA -0.116 51.903 52.037 -0.030 0.000 0.957 101 A CB -0.432 18.568 19.000 0.000 0.000 1.175 101 A HN 0.246 nan 8.150 nan 0.000 0.532 102 S N -0.667 115.001 115.700 -0.054 0.000 2.580 102 S HA 0.434 4.884 4.470 -0.033 0.000 0.266 102 S C 1.410 175.919 174.600 -0.153 0.000 1.354 102 S CA 0.065 58.230 58.200 -0.059 0.000 1.008 102 S CB 1.125 64.299 63.200 -0.043 0.000 0.898 102 S HN 1.088 nan 8.310 nan 0.000 0.555 103 A N 2.048 124.731 122.820 -0.228 0.000 1.940 103 A HA 0.107 4.407 4.320 -0.033 0.000 0.219 103 A C 2.417 179.467 177.584 -0.889 0.000 1.176 103 A CA 1.869 53.619 52.037 -0.479 0.000 0.631 103 A CB -1.677 17.047 19.000 -0.460 0.000 0.814 103 A HN 1.376 nan 8.150 nan 0.000 0.446 104 A N -1.134 121.175 122.820 -0.853 0.000 1.902 104 A HA -0.097 4.203 4.320 -0.033 0.000 0.217 104 A C 2.166 179.604 177.584 -0.243 0.000 1.181 104 A CA 2.167 53.849 52.037 -0.592 0.000 0.623 104 A CB -0.461 18.466 19.000 -0.121 0.000 0.818 104 A HN 0.534 nan 8.150 nan 0.000 0.443 105 M N -0.271 119.227 119.600 -0.170 0.000 2.117 105 M HA -0.073 4.387 4.480 -0.033 0.000 0.262 105 M C 1.900 178.147 176.300 -0.089 0.000 1.065 105 M CA 1.572 56.816 55.300 -0.093 0.000 1.114 105 M CB -0.496 32.058 32.600 -0.077 0.000 1.361 105 M HN 0.125 nan 8.290 nan 0.000 0.408 106 V N 0.317 120.158 119.914 -0.123 0.000 2.287 106 V HA -0.282 3.819 4.120 -0.033 0.000 0.248 106 V C 2.546 178.601 176.094 -0.065 0.000 1.053 106 V CA 1.945 64.194 62.300 -0.085 0.000 1.027 106 V CB -1.664 30.105 31.823 -0.090 0.000 0.646 106 V HN 0.630 nan 8.190 nan 0.000 0.447 107 A N -0.179 122.581 122.820 -0.100 0.000 1.902 107 A HA -0.091 4.209 4.320 -0.033 0.000 0.217 107 A C 2.412 180.012 177.584 0.027 0.000 1.181 107 A CA 2.053 54.091 52.037 0.002 0.000 0.623 107 A CB -0.764 18.296 19.000 0.101 0.000 0.818 107 A HN 0.575 nan 8.150 nan 0.000 0.443 108 A N -0.223 122.604 122.820 0.011 0.000 1.902 108 A HA -0.145 4.155 4.320 -0.033 0.000 0.217 108 A C 2.235 179.829 177.584 0.017 0.000 1.181 108 A CA 1.472 53.526 52.037 0.029 0.000 0.623 108 A CB -0.434 18.582 19.000 0.026 0.000 0.818 108 A HN 0.541 nan 8.150 nan 0.000 0.443 109 R N -0.533 119.967 120.500 0.001 0.000 2.148 109 R HA -0.033 4.288 4.340 -0.033 0.000 0.227 109 R C 1.336 177.639 176.300 0.006 0.000 1.103 109 R CA 1.174 57.275 56.100 0.001 0.000 0.983 109 R CB -0.200 30.095 30.300 -0.008 0.000 0.874 109 R HN 0.450 nan 8.270 nan 0.000 0.451 110 N N 0.662 119.367 118.700 0.009 0.000 2.416 110 N HA 0.026 4.747 4.740 -0.033 0.000 0.177 110 N C 0.021 175.543 175.510 0.019 0.000 1.036 110 N CA 0.325 53.383 53.050 0.013 0.000 0.901 110 N CB 0.161 38.657 38.487 0.015 0.000 0.976 110 N HN 0.100 nan 8.380 nan 0.000 0.444 111 A N 1.410 124.245 122.820 0.025 0.000 2.548 111 A HA 0.100 4.401 4.320 -0.033 0.000 0.247 111 A C 0.230 177.827 177.584 0.021 0.000 1.067 111 A CA 0.160 52.214 52.037 0.028 0.000 0.757 111 A CB -0.257 18.765 19.000 0.037 0.000 0.996 111 A HN 0.235 nan 8.150 nan 0.000 0.504 112 N N 3.110 121.821 118.700 0.018 0.000 2.576 112 N HA 0.466 5.186 4.740 -0.033 0.000 0.269 112 N C -2.359 173.158 175.510 0.013 0.000 1.058 112 N CA -1.290 51.768 53.050 0.014 0.000 0.860 112 N CB 1.144 39.637 38.487 0.011 0.000 1.249 112 N HN 0.558 nan 8.380 nan 0.000 0.525 113 P HA 0.530 nan 4.420 nan 0.000 0.277 113 P C -2.754 174.558 177.300 0.020 0.000 1.271 113 P CA -1.198 61.911 63.100 0.015 0.000 0.795 113 P CB -0.336 31.372 31.700 0.015 0.000 1.101 114 P HA 0.012 nan 4.420 nan 0.000 0.265 114 P C -0.041 177.277 177.300 0.031 0.000 1.187 114 P CA 0.342 63.457 63.100 0.025 0.000 0.766 114 P CB 0.193 31.906 31.700 0.022 0.000 0.820 115 N N 2.045 120.769 118.700 0.040 0.000 2.564 115 N HA 0.213 4.933 4.740 -0.033 0.000 0.248 115 N C 0.900 176.444 175.510 0.056 0.000 0.986 115 N CA -0.271 52.808 53.050 0.048 0.000 0.921 115 N CB 1.160 39.680 38.487 0.054 0.000 1.136 115 N HN 0.258 nan 8.380 nan 0.000 0.509 116 A N 3.485 126.337 122.820 0.053 0.000 1.958 116 A HA -0.202 4.098 4.320 -0.033 0.000 0.221 116 A C 1.688 179.314 177.584 0.071 0.000 1.178 116 A CA 1.638 53.708 52.037 0.055 0.000 0.642 116 A CB -0.138 18.892 19.000 0.049 0.000 0.816 116 A HN 0.703 nan 8.150 nan 0.000 0.453 117 E N -0.875 119.375 120.200 0.083 0.000 2.107 117 E HA -0.043 4.288 4.350 -0.033 0.000 0.191 117 E C 1.832 178.505 176.600 0.122 0.000 0.982 117 E CA 0.670 57.132 56.400 0.104 0.000 0.809 117 E CB -0.352 29.414 29.700 0.110 0.000 0.756 117 E HN 0.462 nan 8.360 nan 0.000 0.459 118 L N 0.603 121.895 121.223 0.116 0.000 2.083 118 L HA -0.132 4.188 4.340 -0.033 0.000 0.209 118 L C 1.958 178.899 176.870 0.118 0.000 1.083 118 L CA 1.765 56.689 54.840 0.140 0.000 0.752 118 L CB -0.794 41.344 42.059 0.131 0.000 0.899 118 L HN 0.123 nan 8.230 nan 0.000 0.433 119 T N -1.638 112.968 114.554 0.086 0.000 2.720 119 T HA -0.218 4.113 4.350 -0.033 0.000 0.268 119 T C 2.110 176.854 174.700 0.074 0.000 1.037 119 T CA 1.610 63.749 62.100 0.065 0.000 1.144 119 T CB -0.356 68.540 68.868 0.048 0.000 0.864 119 T HN 0.464 nan 8.240 nan 0.000 0.444 120 S N 0.360 116.115 115.700 0.092 0.000 2.359 120 S HA -0.125 4.326 4.470 -0.033 0.000 0.224 120 S C 2.174 176.858 174.600 0.140 0.000 1.035 120 S CA 1.428 59.689 58.200 0.102 0.000 1.018 120 S CB -0.569 62.704 63.200 0.121 0.000 0.876 120 S HN 0.294 nan 8.310 nan 0.000 0.448 121 V N 2.225 122.261 119.914 0.203 0.000 2.295 121 V HA -0.139 3.962 4.120 -0.033 0.000 0.246 121 V C 2.913 179.136 176.094 0.215 0.000 1.049 121 V CA 1.832 64.313 62.300 0.302 0.000 1.024 121 V CB -1.409 30.602 31.823 0.314 0.000 0.648 121 V HN 0.636 nan 8.190 nan 0.000 0.447 122 A N 0.194 123.094 122.820 0.134 0.000 1.972 122 A HA -0.202 4.098 4.320 -0.033 0.000 0.219 122 A C 1.858 179.457 177.584 0.025 0.000 1.169 122 A CA 1.923 53.998 52.037 0.063 0.000 0.635 122 A CB -0.545 18.469 19.000 0.024 0.000 0.810 122 A HN 0.592 nan 8.150 nan 0.000 0.446 123 N N -0.095 118.617 118.700 0.021 0.000 2.383 123 N HA 0.029 4.749 4.740 -0.033 0.000 0.192 123 N C -0.488 174.990 175.510 -0.053 0.000 1.141 123 N CA 0.424 53.462 53.050 -0.019 0.000 0.851 123 N CB 0.116 38.596 38.487 -0.012 0.000 0.976 123 N HN 0.316 nan 8.380 nan 0.000 0.465 124 T N 3.071 117.588 114.554 -0.063 0.000 2.767 124 T HA 0.284 4.614 4.350 -0.033 0.000 0.284 124 T C -2.516 172.097 174.700 -0.144 0.000 0.973 124 T CA -1.374 60.598 62.100 -0.214 0.000 0.996 124 T CB 2.238 70.815 68.868 -0.485 0.000 0.927 124 T HN 0.035 nan 8.240 nan 0.000 0.456 125 P HA 0.189 nan 4.420 nan 0.000 0.271 125 P C -0.517 176.791 177.300 0.014 0.000 1.216 125 P CA -0.143 62.943 63.100 -0.025 0.000 0.776 125 P CB 1.094 32.834 31.700 0.068 0.000 0.881 126 Q N 0.569 120.448 119.800 0.131 0.000 3.331 126 Q HA 0.554 4.874 4.340 -0.033 0.000 0.279 126 Q C -0.389 175.747 176.000 0.228 0.000 1.025 126 Q CA -0.795 55.154 55.803 0.242 0.000 0.743 126 Q CB 0.768 29.706 28.738 0.333 0.000 2.725 126 Q HN 0.406 nan 8.270 nan 0.000 0.380 127 S N -0.840 115.035 115.700 0.292 0.000 2.566 127 S HA 0.466 4.916 4.470 -0.033 0.000 0.298 127 S C -1.901 172.935 174.600 0.394 0.000 1.083 127 S CA -0.439 57.913 58.200 0.252 0.000 0.978 127 S CB 0.729 63.975 63.200 0.077 0.000 1.073 127 S HN 0.442 nan 8.310 nan 0.000 0.491 128 Y N 3.070 123.421 120.300 0.085 0.000 2.385 128 Y HA 0.530 5.060 4.550 -0.033 0.000 0.341 128 Y C -1.465 174.442 175.900 0.013 0.000 0.965 128 Y CA -1.896 56.203 58.100 -0.001 0.000 1.180 128 Y CB 0.158 38.301 38.460 -0.529 0.000 1.139 128 Y HN 0.680 nan 8.280 nan 0.000 0.502 129 W N 7.659 128.900 121.300 -0.099 0.000 2.322 129 W HA 0.579 5.223 4.660 -0.028 0.000 0.307 129 W C -1.060 175.261 176.519 -0.330 0.000 1.220 129 W CA -0.506 56.767 57.345 -0.120 0.000 1.210 129 W CB 0.697 30.195 29.460 0.064 0.000 1.223 129 W HN 0.361 nan 8.180 nan 0.000 0.511 130 L N 4.886 126.054 121.223 -0.092 0.000 2.346 130 L HA 0.523 4.844 4.340 -0.033 0.000 0.274 130 L C -0.128 177.012 176.870 0.449 0.000 1.007 130 L CA -0.807 53.941 54.840 -0.153 0.000 0.818 130 L CB 1.632 43.466 42.059 -0.375 0.000 1.284 130 L HN 0.461 nan 8.230 nan 0.000 0.424 131 D N 0.404 121.138 120.400 0.556 0.000 3.158 131 D HA 0.046 4.667 4.640 -0.033 0.000 0.314 131 D C 0.259 176.566 176.300 0.012 0.000 1.308 131 D CA -0.507 53.638 54.000 0.242 0.000 1.001 131 D CB 0.200 41.109 40.800 0.183 0.000 1.389 131 D HN 0.356 nan 8.370 nan 0.000 0.595 132 Q N 0.106 119.586 119.800 -0.534 0.000 2.500 132 Q HA 0.038 4.358 4.340 -0.033 0.000 0.213 132 Q C 1.356 177.147 176.000 -0.348 0.000 0.974 132 Q CA 1.569 56.753 55.803 -1.033 0.000 0.918 132 Q CB -0.744 27.127 28.738 -1.446 0.000 0.980 132 Q HN 0.525 nan 8.270 nan 0.000 0.505 133 A N 0.265 123.021 122.820 -0.107 0.000 2.172 133 A HA 0.075 4.375 4.320 -0.033 0.000 0.216 133 A C 0.009 177.441 177.584 -0.253 0.000 1.154 133 A CA 0.199 52.128 52.037 -0.179 0.000 0.701 133 A CB -0.330 18.517 19.000 -0.255 0.000 0.789 133 A HN 0.266 nan 8.150 nan 0.000 0.465 134 F N 1.154 121.216 119.950 0.186 0.000 2.311 134 F HA 0.348 4.857 4.527 -0.031 0.000 0.371 134 F C -2.260 173.819 175.800 0.464 0.000 1.083 134 F CA -3.150 55.037 58.000 0.311 0.000 1.113 134 F CB 1.165 40.385 39.000 0.366 0.000 1.349 134 F HN -0.012 nan 8.300 nan 0.000 0.470 135 P HA 0.141 nan 4.420 nan 0.000 0.272 135 P C -2.295 175.267 177.300 0.437 0.000 1.230 135 P CA -1.454 61.909 63.100 0.438 0.000 0.788 135 P CB 0.977 32.824 31.700 0.245 0.000 0.949 136 P HA -0.194 nan 4.420 nan 0.000 0.216 136 P C 1.470 178.851 177.300 0.134 0.000 1.150 136 P CA 2.192 65.416 63.100 0.206 0.000 0.843 136 P CB -0.528 31.213 31.700 0.067 0.000 0.787 137 A N -0.887 122.011 122.820 0.130 0.000 2.070 137 A HA -0.144 4.156 4.320 -0.033 0.000 0.220 137 A C 1.998 179.642 177.584 0.099 0.000 1.159 137 A CA 2.381 54.475 52.037 0.094 0.000 0.656 137 A CB -1.420 17.631 19.000 0.085 0.000 0.800 137 A HN 0.384 nan 8.150 nan 0.000 0.453 138 T N -5.867 108.772 114.554 0.140 0.000 2.986 138 T HA 0.151 4.482 4.350 -0.033 0.000 0.264 138 T C 1.369 176.168 174.700 0.165 0.000 0.964 138 T CA 0.693 62.878 62.100 0.141 0.000 0.895 138 T CB -0.102 68.855 68.868 0.148 0.000 1.163 138 T HN 0.120 nan 8.240 nan 0.000 0.517 139 V N 2.193 122.221 119.914 0.189 0.000 2.594 139 V HA 0.106 4.206 4.120 -0.033 0.000 0.253 139 V C 2.517 178.626 176.094 0.025 0.000 1.069 139 V CA 2.350 64.744 62.300 0.157 0.000 1.082 139 V CB -1.026 30.880 31.823 0.138 0.000 0.680 139 V HN 0.659 nan 8.190 nan 0.000 0.469 140 G N -0.223 108.577 108.800 0.000 0.000 2.446 140 G HA2 -0.201 3.739 3.960 -0.033 0.000 0.217 140 G HA3 -0.201 3.739 3.960 -0.033 0.000 0.217 140 G C 1.576 176.487 174.900 0.019 0.000 1.168 140 G CA 0.835 45.921 45.100 -0.023 0.000 0.771 140 G HN 0.654 nan 8.290 nan 0.000 0.551 141 G N -0.026 108.807 108.800 0.055 0.000 2.408 141 G HA2 -0.102 3.839 3.960 -0.033 0.000 0.217 141 G HA3 -0.102 3.839 3.960 -0.033 0.000 0.217 141 G C 1.841 176.804 174.900 0.105 0.000 1.150 141 G CA 1.700 46.843 45.100 0.072 0.000 0.776 141 G HN 0.390 nan 8.290 nan 0.000 0.542 142 T N 0.902 115.540 114.554 0.140 0.000 2.708 142 T HA -0.120 4.211 4.350 -0.033 0.000 0.266 142 T C 2.540 177.342 174.700 0.170 0.000 1.037 142 T CA 1.283 63.502 62.100 0.199 0.000 1.146 142 T CB -0.276 68.749 68.868 0.263 0.000 0.865 142 T HN 0.064 nan 8.240 nan 0.000 0.435 143 V N 1.652 121.610 119.914 0.074 0.000 2.295 143 V HA -0.149 3.951 4.120 -0.033 0.000 0.246 143 V C 2.897 179.046 176.094 0.091 0.000 1.049 143 V CA 1.674 64.006 62.300 0.053 0.000 1.024 143 V CB -1.200 30.587 31.823 -0.060 0.000 0.648 143 V HN 0.532 nan 8.190 nan 0.000 0.447 144 A N 0.062 122.917 122.820 0.057 0.000 1.902 144 A HA -0.268 4.033 4.320 -0.033 0.000 0.217 144 A C 2.411 180.030 177.584 0.058 0.000 1.181 144 A CA 2.116 54.178 52.037 0.042 0.000 0.623 144 A CB -0.586 18.429 19.000 0.025 0.000 0.818 144 A HN 0.508 nan 8.150 nan 0.000 0.443 145 R N -2.136 118.422 120.500 0.095 0.000 2.073 145 R HA -0.197 4.123 4.340 -0.033 0.000 0.234 145 R C 2.071 178.430 176.300 0.099 0.000 1.134 145 R CA 2.002 58.159 56.100 0.094 0.000 0.952 145 R CB -0.524 29.855 30.300 0.132 0.000 0.850 145 R HN 0.569 nan 8.270 nan 0.000 0.433 146 Y N 1.384 121.710 120.300 0.043 0.000 2.163 146 Y HA -0.211 4.318 4.550 -0.035 0.000 0.288 146 Y C 2.655 178.505 175.900 -0.083 0.000 1.136 146 Y CA 2.418 60.533 58.100 0.026 0.000 1.147 146 Y CB -0.389 38.163 38.460 0.155 0.000 0.987 146 Y HN 0.318 nan 8.280 nan 0.000 0.509 147 T N -3.018 111.586 114.554 0.083 0.000 2.821 147 T HA -0.073 4.257 4.350 -0.033 0.000 0.267 147 T C 2.186 176.799 174.700 -0.146 0.000 1.046 147 T CA 1.128 63.201 62.100 -0.045 0.000 1.139 147 T CB -1.188 67.691 68.868 0.018 0.000 0.871 147 T HN 0.368 nan 8.240 nan 0.000 0.454 148 G N 1.135 109.874 108.800 -0.101 0.000 2.408 148 G HA2 0.114 4.054 3.960 -0.033 0.000 0.217 148 G HA3 0.114 4.054 3.960 -0.033 0.000 0.217 148 G C 1.908 176.702 174.900 -0.177 0.000 1.150 148 G CA 0.732 45.766 45.100 -0.110 0.000 0.776 148 G HN 0.735 nan 8.290 nan 0.000 0.542 149 A N 1.223 123.899 122.820 -0.240 0.000 1.902 149 A HA 0.282 4.582 4.320 -0.033 0.000 0.217 149 A C 2.813 180.065 177.584 -0.553 0.000 1.181 149 A CA 2.198 54.053 52.037 -0.304 0.000 0.623 149 A CB -0.779 18.072 19.000 -0.249 0.000 0.818 149 A HN 0.734 nan 8.150 nan 0.000 0.443 150 A N -0.722 121.542 122.820 -0.927 0.000 1.902 150 A HA -0.233 4.067 4.320 -0.033 0.000 0.217 150 A C 2.217 179.547 177.584 -0.424 0.000 1.181 150 A CA 1.851 53.248 52.037 -1.067 0.000 0.623 150 A CB -0.644 17.769 19.000 -0.978 0.000 0.818 150 A HN 0.671 nan 8.150 nan 0.000 0.443 151 Q N -0.479 119.148 119.800 -0.288 0.000 2.096 151 Q HA -0.149 4.171 4.340 -0.033 0.000 0.204 151 Q C 2.074 177.997 176.000 -0.129 0.000 0.982 151 Q CA 1.676 57.382 55.803 -0.162 0.000 0.850 151 Q CB -0.355 28.311 28.738 -0.122 0.000 0.901 151 Q HN 0.598 nan 8.270 nan 0.000 0.422 152 A N 0.197 122.936 122.820 -0.135 0.000 2.067 152 A HA 0.024 4.324 4.320 -0.033 0.000 0.219 152 A C 1.997 179.543 177.584 -0.064 0.000 1.158 152 A CA 1.325 53.310 52.037 -0.086 0.000 0.661 152 A CB -0.462 18.493 19.000 -0.074 0.000 0.801 152 A HN 0.507 nan 8.150 nan 0.000 0.452 153 A N -1.581 121.193 122.820 -0.076 0.000 2.275 153 A HA 0.437 4.738 4.320 -0.033 0.000 0.212 153 A C 1.631 179.204 177.584 -0.019 0.000 1.201 153 A CA 0.968 53.000 52.037 -0.008 0.000 0.843 153 A CB -0.892 18.172 19.000 0.106 0.000 0.873 153 A HN 1.793 nan 8.150 nan 0.000 0.492 154 G N -1.448 107.319 108.800 -0.054 0.000 2.273 154 G HA2 0.143 4.084 3.960 -0.033 0.000 0.280 154 G HA3 0.143 4.084 3.960 -0.033 0.000 0.280 154 G C 0.206 175.073 174.900 -0.055 0.000 1.047 154 G CA 0.569 45.637 45.100 -0.054 0.000 0.869 154 G HN 1.703 nan 8.290 nan 0.000 0.502 155 A N -1.092 121.693 122.820 -0.059 0.000 2.469 155 A HA 0.904 5.204 4.320 -0.033 0.000 0.299 155 A C -0.232 177.329 177.584 -0.038 0.000 1.098 155 A CA -0.282 51.740 52.037 -0.026 0.000 0.737 155 A CB 1.446 20.509 19.000 0.106 0.000 1.312 155 A HN 1.309 nan 8.150 nan 0.000 0.414 156 M N 3.202 122.806 119.600 0.006 0.000 2.084 156 M HA 0.433 4.893 4.480 -0.033 0.000 0.351 156 M C -2.432 174.002 176.300 0.222 0.000 1.240 156 M CA -2.422 52.925 55.300 0.079 0.000 1.083 156 M CB 0.736 33.381 32.600 0.075 0.000 1.593 156 M HN 0.377 nan 8.290 nan 0.000 0.463 157 P HA 0.217 nan 4.420 nan 0.000 0.279 157 P C -1.299 176.194 177.300 0.321 0.000 1.239 157 P CA -0.324 62.954 63.100 0.297 0.000 0.789 157 P CB 0.878 32.698 31.700 0.201 0.000 0.933 158 V N 4.492 124.621 119.914 0.358 0.000 2.384 158 V HA 0.381 4.481 4.120 -0.033 0.000 0.287 158 V C 0.369 176.573 176.094 0.184 0.000 1.020 158 V CA -0.548 61.879 62.300 0.211 0.000 0.850 158 V CB 1.219 33.109 31.823 0.111 0.000 0.987 158 V HN 0.394 nan 8.190 nan 0.000 0.436 159 L N 3.809 125.074 121.223 0.070 0.000 2.346 159 L HA 0.651 4.972 4.340 -0.033 0.000 0.276 159 L C -0.062 176.707 176.870 -0.169 0.000 1.006 159 L CA -0.317 54.488 54.840 -0.057 0.000 0.817 159 L CB 2.441 44.456 42.059 -0.073 0.000 1.272 159 L HN 0.544 nan 8.230 nan 0.000 0.421 160 T N 4.004 118.357 114.554 -0.335 0.000 2.772 160 T HA 0.508 4.838 4.350 -0.033 0.000 0.288 160 T C -0.173 174.352 174.700 -0.291 0.000 0.994 160 T CA -0.424 61.368 62.100 -0.513 0.000 0.951 160 T CB 0.856 68.953 68.868 -1.286 0.000 0.933 160 T HN 0.269 nan 8.240 nan 0.000 0.447 161 L N 3.867 125.043 121.223 -0.078 0.000 2.265 161 L HA 0.413 4.733 4.340 -0.033 0.000 0.288 161 L C -0.599 176.519 176.870 0.413 0.000 1.058 161 L CA -0.712 54.266 54.840 0.231 0.000 0.809 161 L CB 0.462 42.652 42.059 0.219 0.000 1.179 161 L HN 0.671 nan 8.230 nan 0.000 0.429 162 Y N 2.473 122.995 120.300 0.370 0.000 2.558 162 Y HA 0.403 4.933 4.550 -0.034 0.000 0.316 162 Y C 0.628 176.661 175.900 0.222 0.000 0.967 162 Y CA -1.143 57.134 58.100 0.295 0.000 1.126 162 Y CB 1.011 39.703 38.460 0.386 0.000 1.155 162 Y HN 0.531 nan 8.280 nan 0.000 0.628 163 G N 0.938 109.865 108.800 0.212 0.000 3.377 163 G HA2 0.108 4.048 3.960 -0.033 0.000 0.257 163 G HA3 0.108 4.048 3.960 -0.033 0.000 0.257 163 G C -0.015 174.938 174.900 0.089 0.000 1.038 163 G CA -0.142 44.904 45.100 -0.091 0.000 0.809 163 G HN 0.326 nan 8.290 nan 0.000 0.526 164 I N 1.801 122.357 120.570 -0.022 0.000 2.752 164 I HA 0.236 4.387 4.170 -0.033 0.000 0.287 164 I C -1.984 173.977 176.117 -0.260 0.000 1.188 164 I CA -2.369 58.745 61.300 -0.310 0.000 1.427 164 I CB 0.977 38.831 38.000 -0.244 0.000 1.365 164 I HN -0.099 nan 8.210 nan 0.000 0.585 165 P HA 0.035 nan 4.420 nan 0.000 0.267 165 P C -0.796 176.237 177.300 -0.444 0.000 1.200 165 P CA 0.552 63.385 63.100 -0.445 0.000 0.772 165 P CB 0.175 31.554 31.700 -0.536 0.000 0.855 166 H N -1.031 117.980 119.070 -0.098 0.000 2.839 166 H HA -0.188 4.349 4.556 -0.033 0.000 0.298 166 H C 0.461 175.733 175.328 -0.092 0.000 1.224 166 H CA 0.410 56.405 56.048 -0.087 0.000 1.144 166 H CB -1.791 27.925 29.762 -0.077 0.000 1.372 166 H HN 0.542 nan 8.280 nan 0.000 0.408 167 R N 1.171 121.618 120.500 -0.089 0.000 2.585 167 R HA 0.047 4.367 4.340 -0.033 0.000 0.275 167 R C 0.569 176.841 176.300 -0.046 0.000 1.018 167 R CA 1.103 57.124 56.100 -0.132 0.000 1.072 167 R CB 0.247 30.357 30.300 -0.317 0.000 0.953 167 R HN 0.324 nan 8.270 nan 0.000 0.419 168 D N 2.152 122.568 120.400 0.027 0.000 3.059 168 D HA -0.221 4.399 4.640 -0.033 0.000 0.220 168 D C -0.334 175.998 176.300 0.054 0.000 1.169 168 D CA 1.324 55.377 54.000 0.089 0.000 0.902 168 D CB -1.182 39.686 40.800 0.114 0.000 1.116 168 D HN 0.803 nan 8.370 nan 0.000 0.417 169 c N -1.691 116.936 118.600 0.045 0.000 4.165 169 c HA 0.013 4.563 4.570 -0.033 0.000 0.299 169 c C 1.907 176.000 174.090 0.004 0.000 1.445 169 c CA 1.201 57.546 56.329 0.027 0.000 2.029 169 c CB -2.291 40.234 42.510 0.026 0.000 1.288 169 c HN 1.451 nan 8.230 nan 0.000 0.752 170 G N -0.435 108.369 108.800 0.007 0.000 2.153 170 G HA2 -0.202 3.739 3.960 -0.033 0.000 0.252 170 G HA3 -0.202 3.739 3.960 -0.033 0.000 0.252 170 G C 0.352 175.232 174.900 -0.033 0.000 0.994 170 G CA 0.978 46.074 45.100 -0.007 0.000 0.698 170 G HN 1.208 nan 8.290 nan 0.000 0.521 171 S N -1.836 113.835 115.700 -0.048 0.000 2.414 171 S HA 0.571 5.021 4.470 -0.033 0.000 0.267 171 S C 1.690 176.250 174.600 -0.067 0.000 1.165 171 S CA 0.426 58.531 58.200 -0.158 0.000 1.028 171 S CB 0.276 63.362 63.200 -0.191 0.000 1.154 171 S HN 0.307 nan 8.310 nan 0.000 0.472 172 Y N 0.726 121.120 120.300 0.157 0.000 2.256 172 Y HA 0.104 4.634 4.550 -0.033 0.000 0.288 172 Y C 1.965 177.945 175.900 0.133 0.000 1.155 172 Y CA 0.921 59.108 58.100 0.145 0.000 1.203 172 Y CB -0.708 37.864 38.460 0.187 0.000 0.980 172 Y HN 0.496 nan 8.280 nan 0.000 0.530 173 A N 0.147 123.135 122.820 0.280 0.000 2.708 173 A HA 0.316 4.617 4.320 -0.033 0.000 0.293 173 A C 0.734 178.383 177.584 0.108 0.000 1.303 173 A CA -0.078 52.101 52.037 0.236 0.000 0.949 173 A CB -0.987 18.231 19.000 0.364 0.000 1.121 173 A HN 0.239 nan 8.150 nan 0.000 0.542 174 S N -0.636 115.104 115.700 0.066 0.000 2.559 174 S HA 0.534 4.984 4.470 -0.033 0.000 0.282 174 S C 0.690 175.259 174.600 -0.051 0.000 1.336 174 S CA 0.490 58.689 58.200 -0.002 0.000 1.037 174 S CB 0.997 64.201 63.200 0.006 0.000 0.853 174 S HN 1.857 nan 8.310 nan 0.000 0.523 175 G N 0.550 109.283 108.800 -0.111 0.000 2.439 175 G HA2 0.578 4.518 3.960 -0.033 0.000 0.186 175 G HA3 0.578 4.518 3.960 -0.033 0.000 0.186 175 G C 0.072 174.824 174.900 -0.247 0.000 1.260 175 G CA 0.085 45.081 45.100 -0.174 0.000 1.020 175 G HN 2.524 nan 8.290 nan 0.000 0.470 176 G N -1.500 107.090 108.800 -0.350 0.000 2.746 176 G HA2 0.325 4.266 3.960 -0.033 0.000 0.685 176 G HA3 0.325 4.266 3.960 -0.033 0.000 0.685 176 G C -0.243 174.374 174.900 -0.472 0.000 1.350 176 G CA -0.032 44.831 45.100 -0.394 0.000 0.837 176 G HN 1.395 nan 8.290 nan 0.000 0.564 177 F N 0.848 120.656 119.950 -0.237 0.000 2.490 177 F HA 0.451 4.959 4.527 -0.031 0.000 0.336 177 F C 2.023 177.714 175.800 -0.182 0.000 1.178 177 F CA 0.855 58.739 58.000 -0.193 0.000 1.301 177 F CB 0.887 39.796 39.000 -0.151 0.000 1.175 177 F HN 0.835 nan 8.300 nan 0.000 0.593 178 A N 0.857 123.706 122.820 0.048 0.000 1.898 178 A HA 0.032 4.333 4.320 -0.033 0.000 0.216 178 A C 0.945 178.496 177.584 -0.056 0.000 1.181 178 A CA 1.768 53.788 52.037 -0.028 0.000 0.620 178 A CB -0.778 18.226 19.000 0.007 0.000 0.819 178 A HN 0.739 nan 8.150 nan 0.000 0.442 179 T N -6.167 108.388 114.554 0.002 0.000 2.883 179 T HA 0.548 4.878 4.350 -0.033 0.000 0.296 179 T C 1.093 175.791 174.700 -0.003 0.000 1.117 179 T CA 0.105 62.194 62.100 -0.019 0.000 1.006 179 T CB 1.300 70.168 68.868 -0.000 0.000 1.191 179 T HN 0.385 nan 8.240 nan 0.000 0.508 180 G N 0.476 109.262 108.800 -0.024 0.000 2.422 180 G HA2 -0.116 3.825 3.960 -0.033 0.000 0.218 180 G HA3 -0.116 3.825 3.960 -0.033 0.000 0.218 180 G C 1.293 176.178 174.900 -0.024 0.000 1.146 180 G CA 1.338 46.431 45.100 -0.013 0.000 0.769 180 G HN 0.793 nan 8.290 nan 0.000 0.547 181 T N 1.027 115.557 114.554 -0.040 0.000 2.720 181 T HA -0.096 4.234 4.350 -0.033 0.000 0.268 181 T C 2.001 176.653 174.700 -0.080 0.000 1.037 181 T CA 1.499 63.560 62.100 -0.065 0.000 1.144 181 T CB -0.255 68.589 68.868 -0.040 0.000 0.864 181 T HN 0.189 nan 8.240 nan 0.000 0.444 182 D N -0.085 120.280 120.400 -0.059 0.000 2.117 182 D HA -0.062 4.559 4.640 -0.033 0.000 0.198 182 D C 1.706 177.809 176.300 -0.328 0.000 0.982 182 D CA 0.872 54.785 54.000 -0.144 0.000 0.828 182 D CB -0.417 40.363 40.800 -0.033 0.000 0.967 182 D HN 0.416 nan 8.370 nan 0.000 0.464 183 Y N 1.873 122.003 120.300 -0.283 0.000 2.181 183 Y HA -0.181 4.348 4.550 -0.035 0.000 0.288 183 Y C 2.333 178.168 175.900 -0.109 0.000 1.146 183 Y CA 1.619 59.583 58.100 -0.227 0.000 1.164 183 Y CB 0.030 38.454 38.460 -0.060 0.000 0.982 183 Y HN -0.157 nan 8.280 nan 0.000 0.515 184 R N -0.701 119.709 120.500 -0.150 0.000 2.081 184 R HA -0.140 4.180 4.340 -0.033 0.000 0.235 184 R C 2.578 178.792 176.300 -0.144 0.000 1.131 184 R CA 1.213 57.107 56.100 -0.343 0.000 0.960 184 R CB -1.001 28.913 30.300 -0.644 0.000 0.856 184 R HN 0.497 nan 8.270 nan 0.000 0.436 185 G N 0.127 108.844 108.800 -0.138 0.000 2.422 185 G HA2 -0.287 3.654 3.960 -0.033 0.000 0.218 185 G HA3 -0.287 3.654 3.960 -0.033 0.000 0.218 185 G C 1.082 175.941 174.900 -0.068 0.000 1.146 185 G CA 0.465 45.517 45.100 -0.079 0.000 0.769 185 G HN 0.419 nan 8.290 nan 0.000 0.547 186 W N 1.165 122.204 121.300 -0.436 0.000 2.355 186 W HA -0.059 4.583 4.660 -0.030 0.000 0.309 186 W C 2.300 178.634 176.519 -0.308 0.000 1.206 186 W CA 1.108 58.179 57.345 -0.457 0.000 1.284 186 W CB -0.187 28.767 29.460 -0.844 0.000 1.145 186 W HN 0.062 nan 8.180 nan 0.000 0.502 187 I N 0.900 121.355 120.570 -0.191 0.000 2.208 187 I HA -0.308 3.843 4.170 -0.033 0.000 0.245 187 I C 1.898 177.939 176.117 -0.128 0.000 1.097 187 I CA 1.921 63.097 61.300 -0.207 0.000 1.363 187 I CB -1.647 36.355 38.000 0.004 0.000 1.051 187 I HN 0.023 nan 8.210 nan 0.000 0.413 188 D N 1.037 121.430 120.400 -0.013 0.000 2.123 188 D HA -0.142 4.478 4.640 -0.033 0.000 0.196 188 D C 2.254 178.505 176.300 -0.082 0.000 0.992 188 D CA 1.647 55.638 54.000 -0.015 0.000 0.833 188 D CB -0.085 40.736 40.800 0.035 0.000 0.954 188 D HN 0.343 nan 8.370 nan 0.000 0.455 189 A N 0.530 123.281 122.820 -0.116 0.000 1.898 189 A HA -0.093 4.207 4.320 -0.033 0.000 0.216 189 A C 2.541 180.010 177.584 -0.192 0.000 1.181 189 A CA 0.967 52.930 52.037 -0.124 0.000 0.620 189 A CB -0.673 18.272 19.000 -0.092 0.000 0.819 189 A HN 0.132 nan 8.150 nan 0.000 0.442 190 V N 0.051 119.763 119.914 -0.337 0.000 2.287 190 V HA -0.294 3.807 4.120 -0.033 0.000 0.248 190 V C 3.067 179.031 176.094 -0.216 0.000 1.053 190 V CA 2.072 64.156 62.300 -0.361 0.000 1.027 190 V CB -1.264 30.214 31.823 -0.576 0.000 0.646 190 V HN 0.611 nan 8.190 nan 0.000 0.447 191 A N 0.583 123.295 122.820 -0.181 0.000 1.933 191 A HA -0.228 4.073 4.320 -0.033 0.000 0.218 191 A C 2.580 180.108 177.584 -0.093 0.000 1.175 191 A CA 2.354 54.316 52.037 -0.125 0.000 0.628 191 A CB -0.822 18.110 19.000 -0.114 0.000 0.814 191 A HN 0.702 nan 8.150 nan 0.000 0.444 192 S N -0.231 115.418 115.700 -0.085 0.000 2.370 192 S HA -0.043 4.407 4.470 -0.033 0.000 0.226 192 S C 2.057 176.626 174.600 -0.051 0.000 1.033 192 S CA 1.661 59.827 58.200 -0.058 0.000 1.011 192 S CB -1.216 61.957 63.200 -0.045 0.000 0.852 192 S HN 0.702 nan 8.310 nan 0.000 0.457 193 G N 1.492 110.254 108.800 -0.063 0.000 2.422 193 G HA2 0.025 3.966 3.960 -0.033 0.000 0.218 193 G HA3 0.025 3.966 3.960 -0.033 0.000 0.218 193 G C 1.501 176.377 174.900 -0.039 0.000 1.140 193 G CA 0.791 45.864 45.100 -0.044 0.000 0.775 193 G HN 0.512 nan 8.290 nan 0.000 0.545 194 L N 0.339 121.529 121.223 -0.056 0.000 2.093 194 L HA 0.105 4.425 4.340 -0.033 0.000 0.208 194 L C 2.469 179.317 176.870 -0.037 0.000 1.085 194 L CA 0.744 55.557 54.840 -0.044 0.000 0.755 194 L CB -0.844 41.180 42.059 -0.058 0.000 0.904 194 L HN 0.461 nan 8.230 nan 0.000 0.435 195 G N -0.225 108.550 108.800 -0.041 0.000 2.629 195 G HA2 -0.388 3.552 3.960 -0.033 0.000 0.313 195 G HA3 -0.388 3.552 3.960 -0.033 0.000 0.313 195 G C 0.631 175.509 174.900 -0.036 0.000 1.217 195 G CA 0.442 45.520 45.100 -0.035 0.000 0.994 195 G HN 0.289 nan 8.290 nan 0.000 0.549 196 S N 0.816 116.497 115.700 -0.032 0.000 2.602 196 S HA 0.504 4.954 4.470 -0.033 0.000 0.240 196 S C 0.728 175.310 174.600 -0.030 0.000 0.992 196 S CA 0.730 58.911 58.200 -0.031 0.000 0.971 196 S CB 0.274 63.456 63.200 -0.030 0.000 0.855 196 S HN 1.411 nan 8.310 nan 0.000 0.481 197 S N 2.312 117.994 115.700 -0.029 0.000 2.580 197 S HA 0.450 4.900 4.470 -0.033 0.000 0.274 197 S C -3.030 171.556 174.600 -0.023 0.000 1.329 197 S CA -1.344 56.839 58.200 -0.029 0.000 1.036 197 S CB 0.305 63.486 63.200 -0.030 0.000 0.919 197 S HN -0.039 nan 8.310 nan 0.000 0.515 198 P HA 0.451 nan 4.420 nan 0.000 0.268 198 P C -0.883 176.423 177.300 0.011 0.000 1.204 198 P CA 0.075 63.169 63.100 -0.010 0.000 0.768 198 P CB 0.637 32.325 31.700 -0.020 0.000 0.842 199 A N 2.051 124.893 122.820 0.036 0.000 2.605 199 A HA 0.628 4.928 4.320 -0.033 0.000 0.294 199 A C -1.024 176.619 177.584 0.100 0.000 1.062 199 A CA -0.427 51.654 52.037 0.072 0.000 0.682 199 A CB 0.895 19.927 19.000 0.053 0.000 1.278 199 A HN 0.340 nan 8.150 nan 0.000 0.410 200 T N 1.982 116.622 114.554 0.144 0.000 2.771 200 T HA 0.619 4.949 4.350 -0.033 0.000 0.281 200 T C -0.407 174.373 174.700 0.134 0.000 0.982 200 T CA 0.045 62.255 62.100 0.183 0.000 0.978 200 T CB 0.248 69.246 68.868 0.216 0.000 0.930 200 T HN 0.425 nan 8.240 nan 0.000 0.447 201 I N 4.308 124.961 120.570 0.137 0.000 2.389 201 I HA 0.389 4.540 4.170 -0.033 0.000 0.288 201 I C -0.540 175.643 176.117 0.110 0.000 0.999 201 I CA -1.035 60.306 61.300 0.068 0.000 1.129 201 I CB 1.623 39.634 38.000 0.018 0.000 1.288 201 I HN 0.358 nan 8.210 nan 0.000 0.444 202 I N 7.245 127.830 120.570 0.026 0.000 2.297 202 I HA 0.202 4.352 4.170 -0.033 0.000 0.291 202 I C 0.150 176.270 176.117 0.005 0.000 1.033 202 I CA -0.589 60.720 61.300 0.015 0.000 1.253 202 I CB 1.154 39.089 38.000 -0.109 0.000 1.396 202 I HN 0.173 nan 8.210 nan 0.000 0.476 203 V N 7.273 127.237 119.914 0.082 0.000 2.353 203 V HA 0.197 4.297 4.120 -0.033 0.000 0.264 203 V C 0.355 176.533 176.094 0.140 0.000 1.049 203 V CA -0.473 61.900 62.300 0.122 0.000 0.896 203 V CB -0.143 31.763 31.823 0.138 0.000 1.025 203 V HN 0.747 nan 8.190 nan 0.000 0.475 204 E N 3.137 123.446 120.200 0.182 0.000 2.302 204 E HA -0.153 4.177 4.350 -0.033 0.000 0.186 204 E C -2.320 174.398 176.600 0.197 0.000 1.444 204 E CA -0.026 56.524 56.400 0.250 0.000 0.671 204 E CB -1.163 28.676 29.700 0.232 0.000 1.122 204 E HN 0.557 nan 8.360 nan 0.000 0.366 205 P HA -0.104 nan 4.420 nan 0.000 0.259 205 P C 0.440 177.879 177.300 0.232 0.000 1.163 205 P CA 0.846 64.019 63.100 0.120 0.000 0.760 205 P CB 0.432 32.123 31.700 -0.014 0.000 0.762 206 D N 1.053 121.528 120.400 0.125 0.000 2.653 206 D HA -0.259 4.361 4.640 -0.033 0.000 0.184 206 D C 1.280 177.559 176.300 -0.035 0.000 0.993 206 D CA 1.862 55.884 54.000 0.037 0.000 1.027 206 D CB -1.650 39.320 40.800 0.284 0.000 1.089 206 D HN 0.451 nan 8.370 nan 0.000 0.447 207 A N 0.727 123.576 122.820 0.048 0.000 1.858 207 A HA -0.050 4.250 4.320 -0.033 0.000 0.216 207 A C 2.512 180.097 177.584 0.002 0.000 1.190 207 A CA 1.754 53.815 52.037 0.041 0.000 0.617 207 A CB -0.647 18.394 19.000 0.067 0.000 0.827 207 A HN 0.347 nan 8.150 nan 0.000 0.443 208 L N -0.981 120.231 121.223 -0.018 0.000 2.093 208 L HA -0.139 4.181 4.340 -0.033 0.000 0.208 208 L C 3.058 179.825 176.870 -0.172 0.000 1.085 208 L CA 0.965 55.802 54.840 -0.006 0.000 0.755 208 L CB -0.553 41.462 42.059 -0.074 0.000 0.904 208 L HN 0.449 nan 8.230 nan 0.000 0.435 209 A N -0.645 121.902 122.820 -0.455 0.000 1.969 209 A HA -0.189 4.111 4.320 -0.033 0.000 0.218 209 A C 2.196 179.329 177.584 -0.751 0.000 1.169 209 A CA 1.461 52.924 52.037 -0.955 0.000 0.635 209 A CB -0.326 17.500 19.000 -1.956 0.000 0.810 209 A HN 0.407 nan 8.150 nan 0.000 0.445 210 M N -0.803 118.577 119.600 -0.366 0.000 2.428 210 M HA 0.246 4.706 4.480 -0.033 0.000 0.239 210 M C 1.722 178.040 176.300 0.029 0.000 1.121 210 M CA 0.557 55.879 55.300 0.036 0.000 1.019 210 M CB 0.052 32.776 32.600 0.208 0.000 1.485 210 M HN 0.431 nan 8.290 nan 0.000 0.484 211 A N 0.313 123.124 122.820 -0.014 0.000 2.076 211 A HA -0.165 4.135 4.320 -0.033 0.000 0.220 211 A C 1.386 178.942 177.584 -0.045 0.000 1.160 211 A CA 1.602 53.621 52.037 -0.031 0.000 0.653 211 A CB -0.518 18.477 19.000 -0.008 0.000 0.801 211 A HN 0.484 nan 8.150 nan 0.000 0.455 212 D N -0.406 119.997 120.400 0.004 0.000 2.378 212 D HA -0.104 4.517 4.640 -0.033 0.000 0.222 212 D C 1.930 178.228 176.300 -0.003 0.000 0.980 212 D CA 1.217 55.219 54.000 0.004 0.000 0.907 212 D CB -0.600 40.222 40.800 0.038 0.000 0.899 212 D HN 0.730 nan 8.370 nan 0.000 0.527 213 c N -0.259 118.344 118.600 0.004 0.000 2.437 213 c HA 0.130 4.680 4.570 -0.033 0.000 0.283 213 c C 1.174 175.231 174.090 -0.056 0.000 1.424 213 c CA -0.596 55.726 56.329 -0.011 0.000 1.782 213 c CB -1.410 41.104 42.510 0.006 0.000 1.833 213 c HN 0.040 nan 8.230 nan 0.000 0.532 214 L N 2.326 123.499 121.223 -0.083 0.000 2.399 214 L HA 0.386 4.706 4.340 -0.033 0.000 0.265 214 L C 1.029 177.829 176.870 -0.116 0.000 1.089 214 L CA -0.136 54.626 54.840 -0.129 0.000 0.802 214 L CB 1.180 43.147 42.059 -0.154 0.000 1.180 214 L HN 0.363 nan 8.230 nan 0.000 0.454 215 S N 0.704 116.330 115.700 -0.124 0.000 2.580 215 S HA 0.121 4.571 4.470 -0.033 0.000 0.266 215 S C -1.889 172.648 174.600 -0.105 0.000 1.354 215 S CA -0.890 57.252 58.200 -0.098 0.000 1.008 215 S CB 0.564 63.708 63.200 -0.093 0.000 0.898 215 S HN 0.424 nan 8.310 nan 0.000 0.555 216 P HA -0.131 nan 4.420 nan 0.000 0.216 216 P C 0.847 178.088 177.300 -0.098 0.000 1.154 216 P CA 1.474 64.526 63.100 -0.081 0.000 0.865 216 P CB -0.028 31.644 31.700 -0.046 0.000 0.789 217 D N -1.143 119.209 120.400 -0.080 0.000 2.149 217 D HA -0.106 4.514 4.640 -0.033 0.000 0.201 217 D C 2.018 178.262 176.300 -0.094 0.000 0.972 217 D CA 0.968 54.924 54.000 -0.072 0.000 0.835 217 D CB -0.313 40.458 40.800 -0.048 0.000 0.966 217 D HN 0.339 nan 8.370 nan 0.000 0.476 218 Q N 0.361 120.096 119.800 -0.108 0.000 2.230 218 Q HA -0.051 4.269 4.340 -0.033 0.000 0.202 218 Q C 2.190 178.084 176.000 -0.177 0.000 0.963 218 Q CA 0.435 56.173 55.803 -0.107 0.000 0.866 218 Q CB 0.146 28.808 28.738 -0.126 0.000 0.931 218 Q HN 0.159 nan 8.270 nan 0.000 0.452 219 R N 0.703 121.048 120.500 -0.257 0.000 2.075 219 R HA -0.211 4.109 4.340 -0.033 0.000 0.232 219 R C 2.245 178.121 176.300 -0.706 0.000 1.126 219 R CA 1.581 57.384 56.100 -0.494 0.000 0.963 219 R CB 0.057 30.086 30.300 -0.452 0.000 0.858 219 R HN 0.073 nan 8.270 nan 0.000 0.435 220 Q N 1.036 120.603 119.800 -0.388 0.000 2.084 220 Q HA -0.214 4.106 4.340 -0.033 0.000 0.202 220 Q C 1.765 177.692 176.000 -0.122 0.000 0.978 220 Q CA 2.245 57.921 55.803 -0.211 0.000 0.844 220 Q CB -0.192 28.509 28.738 -0.062 0.000 0.898 220 Q HN 0.456 nan 8.270 nan 0.000 0.426 221 E N -0.169 119.965 120.200 -0.111 0.000 2.070 221 E HA -0.307 4.023 4.350 -0.033 0.000 0.197 221 E C 2.102 178.665 176.600 -0.061 0.000 1.004 221 E CA 1.365 57.731 56.400 -0.057 0.000 0.805 221 E CB -0.213 29.461 29.700 -0.043 0.000 0.744 221 E HN 0.369 nan 8.360 nan 0.000 0.451 222 R N -0.614 119.805 120.500 -0.135 0.000 2.083 222 R HA -0.173 4.148 4.340 -0.033 0.000 0.237 222 R C 2.243 178.572 176.300 0.048 0.000 1.137 222 R CA 1.892 57.928 56.100 -0.108 0.000 0.951 222 R CB -0.360 29.840 30.300 -0.166 0.000 0.851 222 R HN 0.178 nan 8.270 nan 0.000 0.434 223 F N 1.758 121.698 119.950 -0.018 0.000 2.126 223 F HA -0.178 4.329 4.527 -0.033 0.000 0.299 223 F C 2.100 177.913 175.800 0.022 0.000 1.096 223 F CA 1.176 59.173 58.000 -0.005 0.000 1.255 223 F CB -0.956 38.037 39.000 -0.010 0.000 0.997 223 F HN 0.109 nan 8.300 nan 0.000 0.479 224 D N 0.166 120.687 120.400 0.201 0.000 2.144 224 D HA -0.138 4.482 4.640 -0.033 0.000 0.199 224 D C 2.531 178.935 176.300 0.173 0.000 0.984 224 D CA 0.909 55.001 54.000 0.155 0.000 0.834 224 D CB -0.487 40.375 40.800 0.102 0.000 0.955 224 D HN 0.247 nan 8.370 nan 0.000 0.465 225 L N 0.183 121.484 121.223 0.130 0.000 2.072 225 L HA -0.107 4.213 4.340 -0.033 0.000 0.205 225 L C 2.501 179.535 176.870 0.273 0.000 1.079 225 L CA 0.491 55.433 54.840 0.169 0.000 0.752 225 L CB -0.289 41.744 42.059 -0.043 0.000 0.906 225 L HN -0.065 nan 8.230 nan 0.000 0.436 226 V N -0.112 119.916 119.914 0.189 0.000 2.343 226 V HA -0.279 3.822 4.120 -0.033 0.000 0.247 226 V C 2.654 178.861 176.094 0.189 0.000 1.051 226 V CA 1.760 64.180 62.300 0.200 0.000 1.036 226 V CB -0.666 31.248 31.823 0.152 0.000 0.654 226 V HN 0.442 nan 8.190 nan 0.000 0.451 227 R N -1.039 119.562 120.500 0.169 0.000 2.081 227 R HA -0.230 4.091 4.340 -0.033 0.000 0.235 227 R C 2.357 178.747 176.300 0.149 0.000 1.131 227 R CA 2.035 58.212 56.100 0.127 0.000 0.960 227 R CB -0.450 29.917 30.300 0.111 0.000 0.856 227 R HN 0.602 nan 8.270 nan 0.000 0.436 228 Y N 0.574 120.933 120.300 0.099 0.000 2.165 228 Y HA -0.233 4.309 4.550 -0.014 0.000 0.286 228 Y C 2.147 178.099 175.900 0.088 0.000 1.155 228 Y CA 1.787 59.942 58.100 0.093 0.000 1.164 228 Y CB -0.354 38.181 38.460 0.124 0.000 0.978 228 Y HN 0.210 nan 8.280 nan 0.000 0.513 229 A N -0.639 122.360 122.820 0.297 0.000 1.883 229 A HA -0.195 4.105 4.320 -0.033 0.000 0.217 229 A C 2.337 179.945 177.584 0.039 0.000 1.186 229 A CA 2.172 54.318 52.037 0.181 0.000 0.624 229 A CB -1.388 17.781 19.000 0.280 0.000 0.822 229 A HN 0.332 nan 8.150 nan 0.000 0.444 230 V N 0.706 120.649 119.914 0.047 0.000 2.255 230 V HA -0.273 3.828 4.120 -0.033 0.000 0.247 230 V C 2.198 178.259 176.094 -0.056 0.000 1.051 230 V CA 2.424 64.722 62.300 -0.002 0.000 1.018 230 V CB -0.856 30.973 31.823 0.011 0.000 0.641 230 V HN 0.511 nan 8.190 nan 0.000 0.445 231 D N -0.381 119.968 120.400 -0.084 0.000 2.178 231 D HA -0.110 4.511 4.640 -0.033 0.000 0.201 231 D C 2.241 178.431 176.300 -0.184 0.000 0.980 231 D CA 1.772 55.694 54.000 -0.130 0.000 0.842 231 D CB -0.194 40.514 40.800 -0.154 0.000 0.948 231 D HN 0.450 nan 8.370 nan 0.000 0.472 232 T N 0.338 114.741 114.554 -0.253 0.000 2.939 232 T HA 0.102 4.433 4.350 -0.033 0.000 0.254 232 T C 2.219 176.826 174.700 -0.155 0.000 1.041 232 T CA 0.140 62.084 62.100 -0.261 0.000 1.142 232 T CB 0.032 68.660 68.868 -0.400 0.000 0.874 232 T HN 0.062 nan 8.240 nan 0.000 0.452 233 L N 1.757 122.908 121.223 -0.120 0.000 2.141 233 L HA -0.039 4.282 4.340 -0.033 0.000 0.209 233 L C 2.846 179.667 176.870 -0.081 0.000 1.094 233 L CA 1.315 56.098 54.840 -0.094 0.000 0.763 233 L CB -1.011 41.004 42.059 -0.074 0.000 0.908 233 L HN 0.406 nan 8.230 nan 0.000 0.437 234 T N -3.386 111.120 114.554 -0.080 0.000 3.163 234 T HA -0.068 4.262 4.350 -0.033 0.000 0.260 234 T C 1.760 176.419 174.700 -0.068 0.000 1.156 234 T CA 0.238 62.296 62.100 -0.071 0.000 1.072 234 T CB -0.264 68.563 68.868 -0.068 0.000 0.937 234 T HN 0.289 nan 8.240 nan 0.000 0.528 235 R N 1.287 121.742 120.500 -0.075 0.000 2.237 235 R HA 0.024 4.344 4.340 -0.033 0.000 0.219 235 R C 0.496 176.762 176.300 -0.057 0.000 1.080 235 R CA 0.781 56.841 56.100 -0.067 0.000 0.995 235 R CB -0.308 29.948 30.300 -0.073 0.000 0.875 235 R HN 0.415 nan 8.270 nan 0.000 0.462 236 D N 1.560 121.926 120.400 -0.058 0.000 2.352 236 D HA 0.036 4.656 4.640 -0.033 0.000 0.245 236 D C -1.411 174.861 176.300 -0.045 0.000 1.224 236 D CA -2.458 51.513 54.000 -0.049 0.000 0.879 236 D CB 1.334 42.105 40.800 -0.048 0.000 1.057 236 D HN -0.049 nan 8.370 nan 0.000 0.491 237 P HA -0.114 nan 4.420 nan 0.000 0.220 237 P C 0.715 177.993 177.300 -0.037 0.000 1.148 237 P CA 0.672 63.749 63.100 -0.039 0.000 0.803 237 P CB 0.214 31.893 31.700 -0.035 0.000 0.782 238 A N -0.637 122.164 122.820 -0.032 0.000 2.278 238 A HA 0.437 4.737 4.320 -0.033 0.000 0.212 238 A C 1.261 178.834 177.584 -0.017 0.000 1.213 238 A CA 0.091 52.113 52.037 -0.025 0.000 0.840 238 A CB -0.701 18.285 19.000 -0.024 0.000 0.866 238 A HN 0.241 nan 8.150 nan 0.000 0.489 239 A N 0.521 123.325 122.820 -0.026 0.000 2.309 239 A HA 0.623 4.923 4.320 -0.033 0.000 0.290 239 A C 0.454 178.017 177.584 -0.035 0.000 1.206 239 A CA 0.223 52.248 52.037 -0.019 0.000 0.850 239 A CB -0.001 18.979 19.000 -0.033 0.000 1.118 239 A HN 1.046 nan 8.150 nan 0.000 0.523 240 A N 3.360 126.176 122.820 -0.006 0.000 2.316 240 A HA 0.552 4.853 4.320 -0.033 0.000 0.311 240 A C -0.270 177.244 177.584 -0.118 0.000 1.339 240 A CA -0.295 51.706 52.037 -0.061 0.000 0.960 240 A CB -0.081 18.976 19.000 0.095 0.000 1.152 240 A HN 0.843 nan 8.150 nan 0.000 0.547 241 V N 3.746 123.490 119.914 -0.283 0.000 2.398 241 V HA 0.363 4.463 4.120 -0.033 0.000 0.286 241 V C -1.069 174.800 176.094 -0.375 0.000 1.026 241 V CA -0.272 61.917 62.300 -0.185 0.000 0.868 241 V CB 0.664 32.425 31.823 -0.103 0.000 0.982 241 V HN 0.727 nan 8.190 nan 0.000 0.443 242 Y N 3.005 123.329 120.300 0.039 0.000 2.326 242 Y HA 0.521 5.058 4.550 -0.022 0.000 0.331 242 Y C 0.057 176.008 175.900 0.085 0.000 0.962 242 Y CA -0.904 57.234 58.100 0.065 0.000 1.167 242 Y CB 1.876 40.361 38.460 0.041 0.000 1.148 242 Y HN 0.373 nan 8.280 nan 0.000 0.463 243 V N 3.087 123.135 119.914 0.224 0.000 2.530 243 V HA 0.026 4.127 4.120 -0.033 0.000 0.282 243 V C 0.109 176.328 176.094 0.208 0.000 1.048 243 V CA -0.545 61.862 62.300 0.177 0.000 0.997 243 V CB 1.058 32.956 31.823 0.124 0.000 0.987 243 V HN 0.717 nan 8.190 nan 0.000 0.477 244 D N 3.725 124.215 120.400 0.150 0.000 2.424 244 D HA 0.421 5.041 4.640 -0.033 0.000 0.244 244 D C 0.466 176.820 176.300 0.090 0.000 1.134 244 D CA 0.451 54.534 54.000 0.138 0.000 0.881 244 D CB 1.270 42.127 40.800 0.095 0.000 1.191 244 D HN 0.695 nan 8.370 nan 0.000 0.445 245 A N 2.954 125.847 122.820 0.121 0.000 2.610 245 A HA 0.634 4.934 4.320 -0.033 0.000 0.291 245 A C 1.022 178.608 177.584 0.004 0.000 1.116 245 A CA 0.440 52.490 52.037 0.023 0.000 0.963 245 A CB -0.353 18.662 19.000 0.026 0.000 1.220 245 A HN 0.961 nan 8.150 nan 0.000 0.530 246 G N 0.485 109.273 108.800 -0.019 0.000 2.509 246 G HA2 0.010 3.950 3.960 -0.033 0.000 0.259 246 G HA3 0.010 3.950 3.960 -0.033 0.000 0.259 246 G C -0.130 174.901 174.900 0.218 0.000 1.169 246 G CA 0.783 45.852 45.100 -0.051 0.000 0.953 246 G HN 2.244 nan 8.290 nan 0.000 0.563 247 H N -3.002 116.217 119.070 0.247 0.000 2.918 247 H HA 0.707 5.244 4.556 -0.033 0.000 0.303 247 H C 1.144 176.149 175.328 -0.538 0.000 1.380 247 H CA 0.706 56.777 56.048 0.038 0.000 1.134 247 H CB 0.626 30.493 29.762 0.175 0.000 1.842 247 H HN 1.171 nan 8.280 nan 0.000 0.533 248 S N -0.662 114.646 115.700 -0.653 0.000 2.547 248 S HA -0.023 4.427 4.470 -0.033 0.000 0.235 248 S C 0.800 175.022 174.600 -0.631 0.000 0.980 248 S CA 0.652 58.101 58.200 -1.251 0.000 0.941 248 S CB -0.345 62.447 63.200 -0.679 0.000 0.763 248 S HN 0.638 nan 8.310 nan 0.000 0.532 249 R N -1.144 119.209 120.500 -0.245 0.000 2.613 249 R HA 0.248 4.568 4.340 -0.033 0.000 0.361 249 R C 0.204 176.540 176.300 0.061 0.000 1.072 249 R CA -0.338 55.680 56.100 -0.137 0.000 1.089 249 R CB 0.164 30.278 30.300 -0.310 0.000 1.343 249 R HN 0.438 nan 8.270 nan 0.000 0.571 250 W N 0.907 122.020 121.300 -0.311 0.000 4.344 250 W HA 0.332 4.974 4.660 -0.029 0.000 0.348 250 W C 0.095 176.518 176.519 -0.160 0.000 3.225 250 W CA -0.075 57.069 57.345 -0.334 0.000 1.427 250 W CB -0.538 28.494 29.460 -0.712 0.000 2.072 250 W HN -0.197 nan 8.180 nan 0.000 0.396 251 L N 2.514 123.832 121.223 0.159 0.000 2.453 251 L HA 0.158 4.479 4.340 -0.033 0.000 0.261 251 L C 1.159 178.107 176.870 0.130 0.000 1.179 251 L CA -0.282 54.607 54.840 0.080 0.000 0.813 251 L CB 0.609 42.638 42.059 -0.051 0.000 1.110 251 L HN 0.156 nan 8.230 nan 0.000 0.466 252 S N 0.805 116.563 115.700 0.097 0.000 2.589 252 S HA 0.164 4.614 4.470 -0.033 0.000 0.265 252 S C 1.082 175.742 174.600 0.100 0.000 1.342 252 S CA -0.110 58.163 58.200 0.123 0.000 1.005 252 S CB 1.300 64.532 63.200 0.053 0.000 0.909 252 S HN 0.702 nan 8.310 nan 0.000 0.555 253 A N 1.237 124.099 122.820 0.069 0.000 1.908 253 A HA -0.102 4.199 4.320 -0.033 0.000 0.218 253 A C 2.249 179.713 177.584 -0.201 0.000 1.181 253 A CA 1.497 53.396 52.037 -0.230 0.000 0.627 253 A CB -0.920 17.911 19.000 -0.282 0.000 0.818 253 A HN 0.898 nan 8.150 nan 0.000 0.445 254 E N -0.246 119.888 120.200 -0.111 0.000 2.077 254 E HA -0.134 4.197 4.350 -0.033 0.000 0.193 254 E C 2.400 178.934 176.600 -0.110 0.000 0.989 254 E CA 1.209 57.545 56.400 -0.107 0.000 0.800 254 E CB -0.480 29.181 29.700 -0.066 0.000 0.746 254 E HN 0.580 nan 8.360 nan 0.000 0.452 255 A N 1.014 123.784 122.820 -0.082 0.000 1.898 255 A HA -0.176 4.125 4.320 -0.033 0.000 0.216 255 A C 2.157 179.660 177.584 -0.135 0.000 1.181 255 A CA 1.807 53.794 52.037 -0.083 0.000 0.620 255 A CB -0.378 18.596 19.000 -0.042 0.000 0.819 255 A HN 0.194 nan 8.150 nan 0.000 0.442 256 M N 0.210 119.714 119.600 -0.160 0.000 2.200 256 M HA 0.095 4.555 4.480 -0.033 0.000 0.265 256 M C 2.118 178.245 176.300 -0.288 0.000 1.066 256 M CA 1.478 56.643 55.300 -0.226 0.000 1.127 256 M CB -0.772 31.692 32.600 -0.225 0.000 1.379 256 M HN 0.355 nan 8.290 nan 0.000 0.420 257 A N -0.164 122.476 122.820 -0.300 0.000 1.940 257 A HA 0.013 4.313 4.320 -0.033 0.000 0.219 257 A C 2.371 179.819 177.584 -0.227 0.000 1.176 257 A CA 2.063 53.924 52.037 -0.294 0.000 0.631 257 A CB -1.399 17.441 19.000 -0.267 0.000 0.814 257 A HN 0.632 nan 8.150 nan 0.000 0.446 258 A N -0.166 122.537 122.820 -0.195 0.000 1.902 258 A HA -0.162 4.138 4.320 -0.033 0.000 0.217 258 A C 2.250 179.691 177.584 -0.239 0.000 1.181 258 A CA 1.523 53.455 52.037 -0.176 0.000 0.623 258 A CB -0.433 18.485 19.000 -0.137 0.000 0.818 258 A HN 0.573 nan 8.150 nan 0.000 0.443 259 R N -0.596 119.723 120.500 -0.302 0.000 2.075 259 R HA 0.013 4.333 4.340 -0.033 0.000 0.232 259 R C 2.066 178.144 176.300 -0.369 0.000 1.126 259 R CA 1.331 57.153 56.100 -0.464 0.000 0.963 259 R CB -0.527 29.476 30.300 -0.495 0.000 0.858 259 R HN 0.482 nan 8.270 nan 0.000 0.435 260 L N 0.992 122.051 121.223 -0.274 0.000 2.046 260 L HA -0.212 4.108 4.340 -0.033 0.000 0.208 260 L C 1.975 178.752 176.870 -0.156 0.000 1.077 260 L CA 1.111 55.831 54.840 -0.198 0.000 0.747 260 L CB -0.517 41.412 42.059 -0.217 0.000 0.896 260 L HN 0.228 nan 8.230 nan 0.000 0.432 261 N N -0.076 118.527 118.700 -0.163 0.000 2.166 261 N HA -0.223 4.497 4.740 -0.033 0.000 0.186 261 N C 1.516 176.957 175.510 -0.115 0.000 1.019 261 N CA 1.620 54.599 53.050 -0.119 0.000 0.856 261 N CB -0.344 38.076 38.487 -0.112 0.000 0.993 261 N HN 0.351 nan 8.380 nan 0.000 0.426 262 D N 0.288 120.591 120.400 -0.162 0.000 2.178 262 D HA -0.099 4.521 4.640 -0.033 0.000 0.202 262 D C 1.584 177.820 176.300 -0.106 0.000 0.974 262 D CA 0.638 54.550 54.000 -0.147 0.000 0.841 262 D CB 0.250 40.905 40.800 -0.241 0.000 0.953 262 D HN 0.155 nan 8.370 nan 0.000 0.478 263 V N -3.333 116.509 119.914 -0.121 0.000 3.596 263 V HA 0.488 4.588 4.120 -0.033 0.000 0.289 263 V C 1.173 177.255 176.094 -0.021 0.000 1.336 263 V CA 0.316 62.588 62.300 -0.047 0.000 1.137 263 V CB -0.346 31.453 31.823 -0.039 0.000 0.966 263 V HN 0.239 nan 8.190 nan 0.000 0.428 264 G N 0.088 108.867 108.800 -0.035 0.000 2.248 264 G HA2 -0.229 3.711 3.960 -0.033 0.000 0.252 264 G HA3 -0.229 3.711 3.960 -0.033 0.000 0.252 264 G C 0.464 175.354 174.900 -0.016 0.000 1.085 264 G CA 0.463 45.550 45.100 -0.022 0.000 0.845 264 G HN 0.975 nan 8.290 nan 0.000 0.494 265 V N 0.365 120.269 119.914 -0.018 0.000 2.568 265 V HA -0.009 4.091 4.120 -0.033 0.000 0.253 265 V C 2.710 178.813 176.094 0.015 0.000 1.072 265 V CA 3.233 65.539 62.300 0.010 0.000 1.084 265 V CB -0.523 31.311 31.823 0.019 0.000 0.676 265 V HN 1.047 nan 8.190 nan 0.000 0.469 266 G N -0.519 108.281 108.800 0.001 0.000 2.470 266 G HA2 -0.220 3.720 3.960 -0.033 0.000 0.220 266 G HA3 -0.220 3.720 3.960 -0.033 0.000 0.220 266 G C 1.637 176.535 174.900 -0.002 0.000 1.121 266 G CA 0.611 45.714 45.100 0.005 0.000 0.766 266 G HN 0.551 nan 8.290 nan 0.000 0.553 267 R N 0.068 120.560 120.500 -0.013 0.000 2.246 267 R HA 0.358 4.678 4.340 -0.033 0.000 0.199 267 R C 1.426 177.703 176.300 -0.037 0.000 0.984 267 R CA 0.356 56.442 56.100 -0.024 0.000 1.015 267 R CB 0.128 30.412 30.300 -0.028 0.000 0.930 267 R HN 0.340 nan 8.270 nan 0.000 0.475 268 A N 0.805 123.603 122.820 -0.037 0.000 2.239 268 A HA 0.272 4.572 4.320 -0.033 0.000 0.303 268 A C 0.950 178.473 177.584 -0.103 0.000 1.114 268 A CA -0.400 51.591 52.037 -0.076 0.000 0.871 268 A CB 0.677 19.642 19.000 -0.058 0.000 1.201 268 A HN 0.034 nan 8.150 nan 0.000 0.506 269 R N -1.262 119.095 120.500 -0.238 0.000 2.115 269 R HA 0.257 4.577 4.340 -0.033 0.000 0.226 269 R C 0.950 177.171 176.300 -0.130 0.000 1.100 269 R CA 2.081 58.019 56.100 -0.271 0.000 0.980 269 R CB -0.353 29.592 30.300 -0.592 0.000 0.875 269 R HN 1.287 nan 8.270 nan 0.000 0.445 270 G N -2.287 106.434 108.800 -0.132 0.000 2.579 270 G HA2 0.174 4.114 3.960 -0.033 0.000 0.080 270 G HA3 0.174 4.114 3.960 -0.033 0.000 0.080 270 G C -1.191 173.904 174.900 0.325 0.000 1.040 270 G CA -0.264 44.943 45.100 0.178 0.000 1.118 270 G HN 0.297 nan 8.290 nan 0.000 0.485 271 F N 0.243 120.409 119.950 0.359 0.000 2.664 271 F HA 0.890 5.395 4.527 -0.037 0.000 0.317 271 F C -0.148 175.864 175.800 0.353 0.000 1.108 271 F CA -0.761 57.413 58.000 0.289 0.000 0.957 271 F CB 1.669 40.751 39.000 0.137 0.000 1.365 271 F HN 0.867 nan 8.300 nan 0.000 0.475 272 S N 1.372 117.297 115.700 0.376 0.000 2.568 272 S HA 0.896 5.347 4.470 -0.033 0.000 0.302 272 S C -1.279 173.511 174.600 0.316 0.000 1.082 272 S CA -0.749 57.586 58.200 0.225 0.000 1.009 272 S CB 1.827 65.103 63.200 0.127 0.000 1.069 272 S HN 0.814 nan 8.310 nan 0.000 0.500 273 L N 1.398 122.784 121.223 0.272 0.000 2.371 273 L HA 0.587 4.907 4.340 -0.033 0.000 0.262 273 L C 0.238 177.258 176.870 0.250 0.000 1.006 273 L CA -0.862 54.164 54.840 0.309 0.000 0.818 273 L CB 1.602 43.867 42.059 0.343 0.000 1.354 273 L HN 0.936 nan 8.230 nan 0.000 0.415 274 N N -0.030 118.848 118.700 0.296 0.000 2.878 274 N HA -0.161 4.560 4.740 -0.033 0.000 0.247 274 N C -0.520 175.076 175.510 0.143 0.000 1.021 274 N CA 0.550 53.743 53.050 0.238 0.000 0.873 274 N CB -0.732 37.852 38.487 0.162 0.000 1.128 274 N HN 0.275 nan 8.380 nan 0.000 0.571 275 V N 0.830 120.850 119.914 0.177 0.000 2.540 275 V HA 0.084 4.184 4.120 -0.033 0.000 0.297 275 V C 1.366 177.526 176.094 0.110 0.000 1.024 275 V CA 1.035 63.417 62.300 0.137 0.000 1.105 275 V CB 0.942 32.855 31.823 0.150 0.000 0.938 275 V HN 0.468 nan 8.190 nan 0.000 0.482 276 S N 2.369 118.079 115.700 0.016 0.000 3.270 276 S HA -0.190 4.260 4.470 -0.033 0.000 0.293 276 S C 0.479 174.882 174.600 -0.329 0.000 1.278 276 S CA 1.464 59.604 58.200 -0.101 0.000 1.038 276 S CB -1.165 62.058 63.200 0.038 0.000 1.218 276 S HN 0.900 nan 8.310 nan 0.000 0.659 277 N N -1.061 117.403 118.700 -0.393 0.000 2.989 277 N HA 0.742 5.462 4.740 -0.033 0.000 0.338 277 N C -0.133 174.811 175.510 -0.942 0.000 1.369 277 N CA -0.506 52.187 53.050 -0.595 0.000 0.794 277 N CB 0.641 39.054 38.487 -0.124 0.000 1.359 277 N HN 0.089 nan 8.380 nan 0.000 0.609 278 F N -0.965 118.780 119.950 -0.342 0.000 2.915 278 F HA 0.355 4.863 4.527 -0.032 0.000 0.347 278 F C -0.408 175.160 175.800 -0.386 0.000 1.104 278 F CA -0.465 57.324 58.000 -0.353 0.000 1.126 278 F CB -0.031 38.742 39.000 -0.378 0.000 1.145 278 F HN 0.233 nan 8.300 nan 0.000 0.541 279 Y N 1.724 122.027 120.300 0.005 0.000 2.457 279 Y HA 0.266 4.796 4.550 -0.033 0.000 0.341 279 Y C 1.516 177.410 175.900 -0.009 0.000 1.240 279 Y CA -0.900 57.190 58.100 -0.017 0.000 1.437 279 Y CB 0.173 38.591 38.460 -0.069 0.000 1.328 279 Y HN 0.019 nan 8.280 nan 0.000 0.588 280 T N -2.021 112.625 114.554 0.153 0.000 2.903 280 T HA 0.004 4.335 4.350 -0.033 0.000 0.314 280 T C 1.181 175.920 174.700 0.065 0.000 1.078 280 T CA -0.169 61.976 62.100 0.075 0.000 1.114 280 T CB 0.724 69.631 68.868 0.065 0.000 0.987 280 T HN 0.753 nan 8.240 nan 0.000 0.548 281 T N 1.704 116.257 114.554 -0.002 0.000 2.720 281 T HA -0.131 4.199 4.350 -0.033 0.000 0.268 281 T C 1.543 176.278 174.700 0.059 0.000 1.037 281 T CA 1.679 63.758 62.100 -0.036 0.000 1.144 281 T CB -0.493 68.241 68.868 -0.224 0.000 0.864 281 T HN 0.700 nan 8.240 nan 0.000 0.444 282 D N 0.689 121.127 120.400 0.064 0.000 2.123 282 D HA -0.096 4.525 4.640 -0.033 0.000 0.196 282 D C 2.135 178.499 176.300 0.106 0.000 0.992 282 D CA 1.023 55.080 54.000 0.095 0.000 0.833 282 D CB -0.330 40.517 40.800 0.078 0.000 0.954 282 D HN 0.541 nan 8.370 nan 0.000 0.455 283 E N 0.382 120.638 120.200 0.094 0.000 2.077 283 E HA -0.178 4.152 4.350 -0.033 0.000 0.193 283 E C 1.601 178.267 176.600 0.111 0.000 0.989 283 E CA 0.887 57.339 56.400 0.086 0.000 0.800 283 E CB 0.263 30.003 29.700 0.066 0.000 0.746 283 E HN 0.089 nan 8.360 nan 0.000 0.452 284 E N 0.460 120.740 120.200 0.133 0.000 2.150 284 E HA -0.133 4.197 4.350 -0.033 0.000 0.193 284 E C 2.168 178.880 176.600 0.186 0.000 0.985 284 E CA 0.592 57.098 56.400 0.177 0.000 0.814 284 E CB -0.183 29.631 29.700 0.191 0.000 0.752 284 E HN 0.458 nan 8.360 nan 0.000 0.466 285 I N 0.824 121.522 120.570 0.214 0.000 2.179 285 I HA -0.196 3.954 4.170 -0.033 0.000 0.242 285 I C 2.429 178.652 176.117 0.178 0.000 1.088 285 I CA 1.420 62.880 61.300 0.267 0.000 1.357 285 I CB -0.540 37.635 38.000 0.293 0.000 1.051 285 I HN 0.129 nan 8.210 nan 0.000 0.409 286 G N -0.271 108.623 108.800 0.156 0.000 2.418 286 G HA2 -0.328 3.612 3.960 -0.033 0.000 0.217 286 G HA3 -0.328 3.612 3.960 -0.033 0.000 0.217 286 G C 1.632 176.607 174.900 0.125 0.000 1.158 286 G CA 0.686 45.865 45.100 0.131 0.000 0.771 286 G HN 0.342 nan 8.290 nan 0.000 0.545 287 Y N 1.921 122.214 120.300 -0.012 0.000 2.200 287 Y HA 0.024 4.555 4.550 -0.032 0.000 0.290 287 Y C 2.764 178.605 175.900 -0.099 0.000 1.137 287 Y CA 1.464 59.537 58.100 -0.045 0.000 1.163 287 Y CB -0.535 37.908 38.460 -0.027 0.000 0.988 287 Y HN 0.118 nan 8.280 nan 0.000 0.518 288 G N -0.133 108.561 108.800 -0.176 0.000 2.418 288 G HA2 -0.208 3.733 3.960 -0.033 0.000 0.217 288 G HA3 -0.208 3.733 3.960 -0.033 0.000 0.217 288 G C 1.509 176.257 174.900 -0.253 0.000 1.158 288 G CA 0.908 45.667 45.100 -0.568 0.000 0.771 288 G HN 0.348 nan 8.290 nan 0.000 0.545 289 E N 1.021 121.201 120.200 -0.033 0.000 2.110 289 E HA -0.091 4.240 4.350 -0.033 0.000 0.193 289 E C 2.885 179.480 176.600 -0.008 0.000 0.988 289 E CA 1.047 57.516 56.400 0.114 0.000 0.804 289 E CB -0.545 29.268 29.700 0.187 0.000 0.745 289 E HN 0.382 nan 8.360 nan 0.000 0.458 290 A N 1.281 124.058 122.820 -0.072 0.000 1.873 290 A HA -0.128 4.172 4.320 -0.033 0.000 0.215 290 A C 2.354 179.812 177.584 -0.211 0.000 1.186 290 A CA 1.089 53.053 52.037 -0.123 0.000 0.616 290 A CB -0.645 18.282 19.000 -0.120 0.000 0.823 290 A HN 0.163 nan 8.150 nan 0.000 0.442 291 I N -0.615 119.747 120.570 -0.347 0.000 2.226 291 I HA -0.226 3.925 4.170 -0.033 0.000 0.245 291 I C 2.837 178.797 176.117 -0.261 0.000 1.100 291 I CA 1.457 62.482 61.300 -0.457 0.000 1.374 291 I CB -0.315 37.143 38.000 -0.903 0.000 1.057 291 I HN 0.429 nan 8.210 nan 0.000 0.413 292 S N 1.001 116.672 115.700 -0.047 0.000 2.365 292 S HA -0.192 4.258 4.470 -0.033 0.000 0.225 292 S C 2.146 176.649 174.600 -0.162 0.000 1.039 292 S CA 1.877 60.058 58.200 -0.031 0.000 1.033 292 S CB -0.741 62.385 63.200 -0.123 0.000 0.887 292 S HN 0.570 nan 8.310 nan 0.000 0.447 293 G N 0.780 109.487 108.800 -0.155 0.000 2.448 293 G HA2 -0.051 3.889 3.960 -0.033 0.000 0.219 293 G HA3 -0.051 3.889 3.960 -0.033 0.000 0.219 293 G C 1.260 176.095 174.900 -0.108 0.000 1.127 293 G CA 0.717 45.744 45.100 -0.122 0.000 0.766 293 G HN 0.557 nan 8.290 nan 0.000 0.552 294 L N 1.029 122.173 121.223 -0.131 0.000 2.592 294 L HA 0.165 4.485 4.340 -0.033 0.000 0.227 294 L C 1.542 178.336 176.870 -0.127 0.000 1.127 294 L CA 0.909 55.672 54.840 -0.128 0.000 0.884 294 L CB 0.280 42.243 42.059 -0.160 0.000 1.065 294 L HN 0.292 nan 8.230 nan 0.000 0.457 295 T N -4.871 109.611 114.554 -0.119 0.000 3.415 295 T HA 0.186 4.516 4.350 -0.033 0.000 0.282 295 T C 0.521 175.190 174.700 -0.052 0.000 1.007 295 T CA -0.499 61.547 62.100 -0.089 0.000 0.958 295 T CB -0.166 68.645 68.868 -0.096 0.000 1.171 295 T HN 0.147 nan 8.240 nan 0.000 0.500 296 N N 1.296 119.961 118.700 -0.058 0.000 2.735 296 N HA -0.165 4.556 4.740 -0.033 0.000 0.248 296 N C 1.018 176.505 175.510 -0.040 0.000 1.083 296 N CA 1.615 54.642 53.050 -0.038 0.000 0.703 296 N CB -1.486 36.990 38.487 -0.019 0.000 1.005 296 N HN 1.447 nan 8.380 nan 0.000 0.550 297 G N -1.975 106.762 108.800 -0.105 0.000 2.160 297 G HA2 -0.276 3.664 3.960 -0.033 0.000 0.244 297 G HA3 -0.276 3.664 3.960 -0.033 0.000 0.244 297 G C 0.242 175.028 174.900 -0.191 0.000 1.022 297 G CA 0.345 45.327 45.100 -0.197 0.000 0.741 297 G HN 0.676 nan 8.290 nan 0.000 0.508 298 S N -0.387 115.276 115.700 -0.061 0.000 2.576 298 S HA 0.451 4.901 4.470 -0.033 0.000 0.272 298 S C 0.515 175.105 174.600 -0.016 0.000 1.352 298 S CA 0.085 58.336 58.200 0.086 0.000 1.021 298 S CB 0.427 63.782 63.200 0.260 0.000 0.887 298 S HN 0.551 nan 8.310 nan 0.000 0.542 299 H N -0.388 118.776 119.070 0.156 0.000 2.615 299 H HA 0.654 5.189 4.556 -0.035 0.000 0.346 299 H C -0.590 174.691 175.328 -0.078 0.000 1.200 299 H CA -0.505 55.593 56.048 0.083 0.000 1.264 299 H CB 0.955 30.762 29.762 0.075 0.000 1.699 299 H HN 0.675 nan 8.280 nan 0.000 0.567 300 Y N -1.742 118.492 120.300 -0.110 0.000 2.625 300 Y HA 0.612 5.141 4.550 -0.034 0.000 0.338 300 Y C -1.540 174.216 175.900 -0.238 0.000 1.123 300 Y CA -1.474 56.363 58.100 -0.439 0.000 1.046 300 Y CB 0.536 38.258 38.460 -1.230 0.000 1.299 300 Y HN 0.498 nan 8.280 nan 0.000 0.464 301 V N 0.073 119.874 119.914 -0.187 0.000 2.864 301 V HA 0.765 4.865 4.120 -0.033 0.000 0.314 301 V C -0.860 175.301 176.094 0.110 0.000 1.073 301 V CA -1.187 61.010 62.300 -0.172 0.000 0.956 301 V CB 1.849 33.393 31.823 -0.465 0.000 1.023 301 V HN 0.840 nan 8.190 nan 0.000 0.435 302 I N 2.095 122.778 120.570 0.188 0.000 2.433 302 I HA 0.404 4.555 4.170 -0.033 0.000 0.292 302 I C -0.745 175.462 176.117 0.151 0.000 1.001 302 I CA -0.382 61.050 61.300 0.220 0.000 1.119 302 I CB 1.866 40.032 38.000 0.276 0.000 1.289 302 I HN 0.692 nan 8.210 nan 0.000 0.438 303 D N 4.442 124.909 120.400 0.112 0.000 2.338 303 D HA 0.063 4.684 4.640 -0.033 0.000 0.255 303 D C 0.892 177.212 176.300 0.033 0.000 1.237 303 D CA 0.053 54.102 54.000 0.083 0.000 0.883 303 D CB 0.956 41.789 40.800 0.056 0.000 1.087 303 D HN 0.649 nan 8.370 nan 0.000 0.485 304 T N -0.488 114.116 114.554 0.083 0.000 3.176 304 T HA 0.025 4.356 4.350 -0.033 0.000 0.263 304 T C 1.651 176.235 174.700 -0.194 0.000 1.021 304 T CA 0.186 62.293 62.100 0.011 0.000 0.905 304 T CB -0.181 68.738 68.868 0.085 0.000 1.057 304 T HN 0.214 nan 8.240 nan 0.000 0.558 305 S N 2.593 118.015 115.700 -0.463 0.000 2.383 305 S HA -0.105 4.345 4.470 -0.033 0.000 0.229 305 S C 1.652 175.796 174.600 -0.761 0.000 1.030 305 S CA 0.456 57.992 58.200 -1.107 0.000 1.002 305 S CB -0.369 62.446 63.200 -0.643 0.000 0.829 305 S HN 0.631 nan 8.310 nan 0.000 0.467 306 R N 1.076 121.321 120.500 -0.426 0.000 2.592 306 R HA 0.232 4.552 4.340 -0.033 0.000 0.439 306 R C -0.049 176.206 176.300 -0.075 0.000 0.995 306 R CA 0.240 56.194 56.100 -0.244 0.000 1.141 306 R CB 0.177 30.345 30.300 -0.222 0.000 1.495 306 R HN 0.569 nan 8.270 nan 0.000 0.579 307 N N -0.498 118.137 118.700 -0.107 0.000 2.234 307 N HA 0.009 4.729 4.740 -0.033 0.000 0.227 307 N C 1.071 176.568 175.510 -0.023 0.000 1.151 307 N CA 0.064 53.090 53.050 -0.039 0.000 0.865 307 N CB 0.556 39.007 38.487 -0.059 0.000 1.066 307 N HN 0.143 nan 8.380 nan 0.000 0.515 308 G N -0.087 108.699 108.800 -0.024 0.000 2.471 308 G HA2 0.011 3.951 3.960 -0.033 0.000 0.219 308 G HA3 0.011 3.951 3.960 -0.033 0.000 0.219 308 G C 1.024 175.921 174.900 -0.005 0.000 1.125 308 G CA 0.731 45.827 45.100 -0.006 0.000 0.775 308 G HN 0.523 nan 8.290 nan 0.000 0.548 309 A N -0.501 122.312 122.820 -0.011 0.000 2.503 309 A HA 0.613 4.913 4.320 -0.033 0.000 0.263 309 A C 1.383 178.952 177.584 -0.024 0.000 1.258 309 A CA 0.961 52.986 52.037 -0.021 0.000 0.936 309 A CB -0.331 18.648 19.000 -0.035 0.000 1.070 309 A HN 1.611 nan 8.150 nan 0.000 0.522 310 G N 0.590 109.383 108.800 -0.011 0.000 2.692 310 G HA2 -0.181 3.759 3.960 -0.033 0.000 0.248 310 G HA3 -0.181 3.759 3.960 -0.033 0.000 0.248 310 G C -2.781 172.082 174.900 -0.060 0.000 1.340 310 G CA -0.212 44.880 45.100 -0.014 0.000 0.896 310 G HN 0.431 nan 8.290 nan 0.000 0.570 311 P HA 0.554 nan 4.420 nan 0.000 0.279 311 P C 0.192 177.365 177.300 -0.213 0.000 1.252 311 P CA 0.433 63.394 63.100 -0.232 0.000 0.811 311 P CB 1.121 32.623 31.700 -0.330 0.000 1.035 312 A N 3.193 125.825 122.820 -0.314 0.000 2.386 312 A HA 0.397 4.697 4.320 -0.033 0.000 0.246 312 A C -1.962 175.528 177.584 -0.157 0.000 1.089 312 A CA -1.011 50.876 52.037 -0.250 0.000 0.790 312 A CB -1.801 17.000 19.000 -0.332 0.000 1.042 312 A HN 0.434 nan 8.150 nan 0.000 0.497 313 P HA 0.036 nan 4.420 nan 0.000 0.265 313 P C -0.561 176.704 177.300 -0.060 0.000 1.187 313 P CA 0.023 63.080 63.100 -0.071 0.000 0.766 313 P CB 0.306 31.965 31.700 -0.067 0.000 0.820 314 D N 1.796 122.184 120.400 -0.020 0.000 2.451 314 D HA 0.294 4.915 4.640 -0.033 0.000 0.254 314 D C -0.612 175.682 176.300 -0.011 0.000 1.204 314 D CA 0.759 54.764 54.000 0.007 0.000 0.896 314 D CB -0.196 40.621 40.800 0.028 0.000 1.136 314 D HN 0.395 nan 8.370 nan 0.000 0.499 315 A N 4.147 126.960 122.820 -0.013 0.000 2.597 315 A HA 0.554 4.854 4.320 -0.033 0.000 0.292 315 A C -2.825 174.752 177.584 -0.012 0.000 1.057 315 A CA -1.294 50.727 52.037 -0.027 0.000 0.674 315 A CB 0.966 19.927 19.000 -0.066 0.000 1.278 315 A HN 0.399 nan 8.150 nan 0.000 0.416 316 P HA 0.369 nan 4.420 nan 0.000 0.264 316 P C 0.311 177.543 177.300 -0.114 0.000 1.183 316 P CA 0.494 63.601 63.100 0.012 0.000 0.763 316 P CB 0.121 31.832 31.700 0.019 0.000 0.807 317 L N -0.363 120.735 121.223 -0.208 0.000 4.429 317 L HA -0.302 4.018 4.340 -0.033 0.000 0.422 317 L C 1.397 177.824 176.870 -0.737 0.000 1.149 317 L CA 0.714 55.129 54.840 -0.708 0.000 0.972 317 L CB -1.819 39.948 42.059 -0.488 0.000 2.059 317 L HN 0.525 nan 8.230 nan 0.000 0.870 318 N N 0.980 119.423 118.700 -0.428 0.000 2.573 318 N HA -0.168 4.553 4.740 -0.033 0.000 0.187 318 N C 1.367 176.664 175.510 -0.355 0.000 1.107 318 N CA 1.602 54.447 53.050 -0.340 0.000 0.918 318 N CB -0.325 38.048 38.487 -0.190 0.000 0.966 318 N HN 0.863 nan 8.380 nan 0.000 0.448 319 W N -1.250 119.992 121.300 -0.097 0.000 3.290 319 W HA 0.394 5.035 4.660 -0.031 0.000 0.287 319 W C -0.492 176.080 176.519 0.088 0.000 1.288 319 W CA -0.872 56.507 57.345 0.057 0.000 1.725 319 W CB -0.884 28.643 29.460 0.112 0.000 1.103 319 W HN 0.012 nan 8.180 nan 0.000 0.670 320 c N 5.038 123.259 118.600 -0.632 0.000 2.206 320 c HA 0.263 4.813 4.570 -0.033 0.000 0.324 320 c C 0.714 174.572 174.090 -0.388 0.000 1.120 320 c CA -0.535 55.456 56.329 -0.563 0.000 1.546 320 c CB -1.773 40.080 42.510 -1.096 0.000 2.023 320 c HN 0.319 nan 8.230 nan 0.000 0.448 321 N N 3.540 122.088 118.700 -0.253 0.000 2.714 321 N HA -0.131 4.590 4.740 -0.033 0.000 0.252 321 N C -2.266 172.990 175.510 -0.424 0.000 1.014 321 N CA 0.786 53.606 53.050 -0.383 0.000 0.735 321 N CB -0.977 37.272 38.487 -0.397 0.000 0.924 321 N HN 0.628 nan 8.380 nan 0.000 0.540 322 P HA 0.094 nan 4.420 nan 0.000 0.272 322 P C 0.271 177.328 177.300 -0.406 0.000 1.223 322 P CA -0.060 62.758 63.100 -0.470 0.000 0.784 322 P CB 0.742 32.041 31.700 -0.669 0.000 0.923 323 S N -0.217 115.298 115.700 -0.309 0.000 2.669 323 S HA 0.550 5.000 4.470 -0.033 0.000 0.270 323 S C 1.174 175.646 174.600 -0.213 0.000 1.225 323 S CA 0.119 58.180 58.200 -0.232 0.000 0.991 323 S CB 0.421 63.522 63.200 -0.164 0.000 0.987 323 S HN 0.922 nan 8.310 nan 0.000 0.552 324 G N 0.371 109.083 108.800 -0.147 0.000 2.162 324 G HA2 -0.205 3.735 3.960 -0.033 0.000 0.260 324 G HA3 -0.205 3.735 3.960 -0.033 0.000 0.260 324 G C 0.102 174.931 174.900 -0.119 0.000 0.976 324 G CA 0.013 45.045 45.100 -0.113 0.000 0.655 324 G HN 0.706 nan 8.290 nan 0.000 0.533 325 R N 0.285 120.697 120.500 -0.147 0.000 2.528 325 R HA 0.822 5.143 4.340 -0.033 0.000 0.271 325 R C 0.342 176.615 176.300 -0.044 0.000 1.056 325 R CA 0.257 56.295 56.100 -0.105 0.000 1.117 325 R CB 1.053 31.283 30.300 -0.116 0.000 1.085 325 R HN 0.881 nan 8.270 nan 0.000 0.530 326 A N 1.773 124.579 122.820 -0.023 0.000 2.401 326 A HA 0.524 4.825 4.320 -0.033 0.000 0.310 326 A C -0.299 177.254 177.584 -0.052 0.000 1.075 326 A CA -0.835 51.188 52.037 -0.025 0.000 0.746 326 A CB 0.963 19.954 19.000 -0.016 0.000 1.277 326 A HN 0.593 nan 8.150 nan 0.000 0.425 327 L N 1.837 123.017 121.223 -0.071 0.000 2.593 327 L HA 0.207 4.527 4.340 -0.033 0.000 0.287 327 L C 1.329 178.175 176.870 -0.039 0.000 1.243 327 L CA 0.397 55.151 54.840 -0.142 0.000 0.890 327 L CB 0.048 42.086 42.059 -0.034 0.000 1.134 327 L HN 0.916 nan 8.230 nan 0.000 0.502 328 G N 1.572 110.336 108.800 -0.060 0.000 2.583 328 G HA2 0.587 4.528 3.960 -0.033 0.000 0.280 328 G HA3 0.587 4.528 3.960 -0.033 0.000 0.280 328 G C -0.392 174.667 174.900 0.265 0.000 1.376 328 G CA -0.302 44.835 45.100 0.061 0.000 1.043 328 G HN 0.861 nan 8.290 nan 0.000 0.538 329 A N 0.386 123.332 122.820 0.211 0.000 2.565 329 A HA 0.460 4.760 4.320 -0.033 0.000 0.237 329 A C -2.016 175.820 177.584 0.419 0.000 1.053 329 A CA -0.373 51.823 52.037 0.265 0.000 0.755 329 A CB -0.404 18.719 19.000 0.205 0.000 0.980 329 A HN 0.374 nan 8.150 nan 0.000 0.506 330 P HA 0.205 nan 4.420 nan 0.000 0.269 330 P C -2.459 174.813 177.300 -0.046 0.000 1.215 330 P CA -0.900 62.167 63.100 -0.055 0.000 0.780 330 P CB -0.227 31.410 31.700 -0.105 0.000 0.898 331 P HA 0.086 nan 4.420 nan 0.000 0.264 331 P C -0.315 177.048 177.300 0.105 0.000 1.183 331 P CA 0.831 63.881 63.100 -0.083 0.000 0.763 331 P CB 0.286 31.849 31.700 -0.228 0.000 0.807 332 T N 0.189 114.839 114.554 0.159 0.000 2.830 332 T HA 0.363 4.694 4.350 -0.033 0.000 0.322 332 T C 0.624 175.348 174.700 0.040 0.000 1.501 332 T CA -0.204 61.970 62.100 0.123 0.000 1.036 332 T CB 0.571 69.464 68.868 0.041 0.000 1.379 332 T HN 0.370 nan 8.240 nan 0.000 0.493 333 T N 0.195 114.754 114.554 0.008 0.000 3.086 333 T HA 0.428 4.758 4.350 -0.033 0.000 0.250 333 T C 0.995 175.594 174.700 -0.168 0.000 1.074 333 T CA 0.401 62.453 62.100 -0.080 0.000 0.988 333 T CB 0.033 68.877 68.868 -0.039 0.000 0.988 333 T HN 0.802 nan 8.240 nan 0.000 0.530 334 A N 2.835 125.557 122.820 -0.163 0.000 2.990 334 A HA 0.531 4.831 4.320 -0.033 0.000 0.282 334 A C 0.936 178.378 177.584 -0.236 0.000 1.688 334 A CA -0.519 51.432 52.037 -0.144 0.000 1.391 334 A CB -1.024 17.936 19.000 -0.066 0.000 1.112 334 A HN 0.614 nan 8.150 nan 0.000 0.588 335 T N -2.401 111.962 114.554 -0.318 0.000 2.923 335 T HA 0.651 4.981 4.350 -0.033 0.000 0.281 335 T C 0.612 175.276 174.700 -0.060 0.000 0.995 335 T CA -0.078 61.770 62.100 -0.421 0.000 0.985 335 T CB 1.814 70.365 68.868 -0.529 0.000 1.114 335 T HN 0.770 nan 8.240 nan 0.000 0.548 336 A N -0.205 122.690 122.820 0.125 0.000 2.500 336 A HA 0.657 4.957 4.320 -0.033 0.000 0.267 336 A C 0.886 178.561 177.584 0.151 0.000 1.290 336 A CA -0.161 51.964 52.037 0.147 0.000 0.928 336 A CB -0.507 18.612 19.000 0.199 0.000 1.066 336 A HN 1.183 nan 8.150 nan 0.000 0.516 337 G N -1.901 106.981 108.800 0.136 0.000 2.461 337 G HA2 0.501 4.441 3.960 -0.033 0.000 0.323 337 G HA3 0.501 4.441 3.960 -0.033 0.000 0.323 337 G C 0.830 175.765 174.900 0.058 0.000 1.229 337 G CA 0.193 45.396 45.100 0.171 0.000 0.941 337 G HN 0.432 nan 8.290 nan 0.000 0.477 338 A N 1.368 124.226 122.820 0.063 0.000 1.978 338 A HA -0.055 4.246 4.320 -0.033 0.000 0.220 338 A C 1.512 178.905 177.584 -0.318 0.000 1.170 338 A CA 1.675 53.645 52.037 -0.111 0.000 0.636 338 A CB -0.323 18.609 19.000 -0.114 0.000 0.810 338 A HN 0.729 nan 8.150 nan 0.000 0.448 339 H N -1.677 117.398 119.070 0.007 0.000 2.674 339 H HA 0.548 5.083 4.556 -0.034 0.000 0.274 339 H C 0.396 175.438 175.328 -0.478 0.000 1.121 339 H CA 0.146 56.132 56.048 -0.103 0.000 1.132 339 H CB 0.349 30.037 29.762 -0.123 0.000 1.606 339 H HN 0.425 nan 8.280 nan 0.000 0.558 340 A N 0.805 123.315 122.820 -0.517 0.000 2.343 340 A HA 0.109 4.409 4.320 -0.033 0.000 0.305 340 A C 0.471 177.842 177.584 -0.354 0.000 1.308 340 A CA -0.451 51.115 52.037 -0.785 0.000 0.949 340 A CB 0.144 18.922 19.000 -0.370 0.000 1.148 340 A HN 0.248 nan 8.150 nan 0.000 0.545 341 D N 1.632 121.863 120.400 -0.282 0.000 2.178 341 D HA 0.194 4.814 4.640 -0.033 0.000 0.202 341 D C 0.828 177.041 176.300 -0.145 0.000 0.974 341 D CA 2.079 55.998 54.000 -0.135 0.000 0.841 341 D CB 0.212 41.003 40.800 -0.015 0.000 0.953 341 D HN 0.766 nan 8.370 nan 0.000 0.478 342 A N -0.852 121.851 122.820 -0.195 0.000 2.597 342 A HA 0.464 4.764 4.320 -0.033 0.000 0.292 342 A C -1.792 175.753 177.584 -0.066 0.000 1.057 342 A CA -0.787 51.152 52.037 -0.163 0.000 0.674 342 A CB 0.560 19.514 19.000 -0.077 0.000 1.278 342 A HN -0.092 nan 8.150 nan 0.000 0.416 343 Y N 0.610 120.898 120.300 -0.020 0.000 2.327 343 Y HA 0.681 5.211 4.550 -0.033 0.000 0.336 343 Y C 0.218 176.082 175.900 -0.060 0.000 1.035 343 Y CA -1.056 57.051 58.100 0.012 0.000 1.165 343 Y CB 0.762 39.270 38.460 0.080 0.000 1.181 343 Y HN 0.530 nan 8.280 nan 0.000 0.494 344 L N 1.737 123.026 121.223 0.110 0.000 2.333 344 L HA 0.486 4.806 4.340 -0.033 0.000 0.263 344 L C -1.184 175.862 176.870 0.293 0.000 1.014 344 L CA -1.013 53.813 54.840 -0.023 0.000 0.820 344 L CB 2.077 44.022 42.059 -0.190 0.000 1.352 344 L HN 0.495 nan 8.230 nan 0.000 0.421 345 W N 2.567 123.836 121.300 -0.053 0.000 2.317 345 W HA 0.454 5.094 4.660 -0.034 0.000 0.327 345 W C 0.556 177.108 176.519 0.054 0.000 1.036 345 W CA -0.794 56.562 57.345 0.019 0.000 1.419 345 W CB 0.251 29.739 29.460 0.047 0.000 1.253 345 W HN 0.397 nan 8.180 nan 0.000 0.392 346 I N 1.546 122.268 120.570 0.253 0.000 2.522 346 I HA -0.060 4.091 4.170 -0.033 0.000 0.240 346 I C 1.365 177.772 176.117 0.483 0.000 1.078 346 I CA 0.135 61.579 61.300 0.240 0.000 1.422 346 I CB -0.357 37.707 38.000 0.107 0.000 1.188 346 I HN -0.108 nan 8.210 nan 0.000 0.442 347 K N 2.695 123.326 120.400 0.385 0.000 2.527 347 K HA -0.028 4.272 4.320 -0.033 0.000 0.278 347 K C -0.274 176.441 176.600 0.191 0.000 0.981 347 K CA 0.543 56.983 56.287 0.257 0.000 1.009 347 K CB 0.350 32.866 32.500 0.026 0.000 0.895 347 K HN 0.077 nan 8.250 nan 0.000 0.493 348 R N 5.736 126.310 120.500 0.122 0.000 2.205 348 R HA 0.220 4.540 4.340 -0.033 0.000 0.342 348 R C -2.195 174.174 176.300 0.115 0.000 1.058 348 R CA -1.980 54.224 56.100 0.173 0.000 0.904 348 R CB 0.814 31.224 30.300 0.183 0.000 1.089 348 R HN 0.567 nan 8.270 nan 0.000 0.471 349 P HA -0.065 nan 4.420 nan 0.000 0.264 349 P C 0.764 178.141 177.300 0.128 0.000 1.183 349 P CA 0.989 64.099 63.100 0.017 0.000 0.763 349 P CB 0.797 32.454 31.700 -0.072 0.000 0.807 350 G N 2.035 110.831 108.800 -0.008 0.000 2.313 350 G HA2 -0.197 3.744 3.960 -0.033 0.000 0.215 350 G HA3 -0.197 3.744 3.960 -0.033 0.000 0.215 350 G C 0.002 174.762 174.900 -0.233 0.000 1.023 350 G CA -0.438 44.492 45.100 -0.284 0.000 0.626 350 G HN 0.545 nan 8.290 nan 0.000 0.503 351 E N 1.557 121.756 120.200 -0.001 0.000 2.384 351 E HA 0.417 4.747 4.350 -0.033 0.000 0.266 351 E C 0.462 177.106 176.600 0.072 0.000 1.012 351 E CA 0.367 56.784 56.400 0.030 0.000 0.901 351 E CB 1.121 30.822 29.700 0.002 0.000 0.967 351 E HN 0.236 nan 8.360 nan 0.000 0.435 352 S N 1.948 117.715 115.700 0.111 0.000 2.562 352 S HA -0.041 4.409 4.470 -0.033 0.000 0.281 352 S C 0.549 175.190 174.600 0.068 0.000 1.333 352 S CA -0.552 57.749 58.200 0.169 0.000 1.052 352 S CB 0.470 63.755 63.200 0.140 0.000 0.884 352 S HN 0.395 nan 8.310 nan 0.000 0.506 353 D N 2.505 122.935 120.400 0.050 0.000 2.347 353 D HA 0.238 4.858 4.640 -0.033 0.000 0.215 353 D C 0.956 177.321 176.300 0.108 0.000 0.976 353 D CA 1.073 55.132 54.000 0.098 0.000 0.884 353 D CB 0.095 40.982 40.800 0.145 0.000 0.915 353 D HN 0.754 nan 8.370 nan 0.000 0.526 354 G N -0.360 108.435 108.800 -0.008 0.000 2.369 354 G HA2 -0.047 3.894 3.960 -0.033 0.000 0.293 354 G HA3 -0.047 3.894 3.960 -0.033 0.000 0.293 354 G C 0.747 175.478 174.900 -0.283 0.000 1.301 354 G CA 0.105 45.137 45.100 -0.113 0.000 0.913 354 G HN -0.050 nan 8.290 nan 0.000 0.540 355 T N -2.770 111.556 114.554 -0.380 0.000 2.867 355 T HA 0.016 4.346 4.350 -0.033 0.000 0.268 355 T C 1.772 176.206 174.700 -0.443 0.000 1.057 355 T CA 1.872 63.793 62.100 -0.299 0.000 1.136 355 T CB -0.625 68.174 68.868 -0.115 0.000 0.874 355 T HN 2.030 nan 8.240 nan 0.000 0.466 356 c N 1.165 119.184 118.600 -0.969 0.000 4.358 356 c HA 0.008 4.558 4.570 -0.033 0.000 0.287 356 c C 1.979 175.893 174.090 -0.292 0.000 1.414 356 c CA 0.364 56.267 56.329 -0.710 0.000 1.949 356 c CB -2.581 39.627 42.510 -0.503 0.000 1.274 356 c HN 1.510 nan 8.230 nan 0.000 0.793 357 G N -0.471 108.240 108.800 -0.148 0.000 2.162 357 G HA2 -0.319 3.621 3.960 -0.033 0.000 0.260 357 G HA3 -0.319 3.621 3.960 -0.033 0.000 0.260 357 G C 0.459 175.319 174.900 -0.067 0.000 0.976 357 G CA 0.748 45.822 45.100 -0.044 0.000 0.655 357 G HN 0.743 nan 8.290 nan 0.000 0.533 358 R N -0.804 119.639 120.500 -0.096 0.000 2.566 358 R HA 0.415 4.735 4.340 -0.033 0.000 0.388 358 R C 1.596 177.858 176.300 -0.064 0.000 0.989 358 R CA 0.359 56.412 56.100 -0.078 0.000 1.164 358 R CB 0.706 30.950 30.300 -0.093 0.000 1.459 358 R HN 1.235 nan 8.270 nan 0.000 0.553 359 G N 1.974 110.737 108.800 -0.061 0.000 2.198 359 G HA2 -0.318 3.622 3.960 -0.033 0.000 0.260 359 G HA3 -0.318 3.622 3.960 -0.033 0.000 0.260 359 G C -0.085 174.785 174.900 -0.050 0.000 1.025 359 G CA 0.404 45.477 45.100 -0.045 0.000 0.769 359 G HN 0.383 nan 8.290 nan 0.000 0.507 360 E N 0.324 120.484 120.200 -0.068 0.000 2.369 360 E HA 0.378 4.709 4.350 -0.033 0.000 0.255 360 E C -2.033 174.541 176.600 -0.044 0.000 1.172 360 E CA -1.707 54.666 56.400 -0.044 0.000 0.932 360 E CB 0.556 30.244 29.700 -0.020 0.000 1.040 360 E HN 0.186 nan 8.360 nan 0.000 0.454 361 P HA -0.072 nan 4.420 nan 0.000 0.269 361 P C -0.869 176.426 177.300 -0.008 0.000 1.215 361 P CA 0.080 63.161 63.100 -0.033 0.000 0.780 361 P CB 0.397 32.057 31.700 -0.067 0.000 0.898 362 Q N 2.090 121.894 119.800 0.007 0.000 2.369 362 Q HA 0.136 4.456 4.340 -0.033 0.000 0.295 362 Q C -0.290 175.740 176.000 0.049 0.000 1.075 362 Q CA -0.367 55.457 55.803 0.035 0.000 0.941 362 Q CB 0.221 28.985 28.738 0.043 0.000 1.260 362 Q HN 0.548 nan 8.270 nan 0.000 0.417 363 A N 2.812 125.681 122.820 0.081 0.000 2.567 363 A HA 0.348 4.649 4.320 -0.033 0.000 0.240 363 A C 1.202 178.825 177.584 0.065 0.000 1.053 363 A CA 0.750 52.844 52.037 0.094 0.000 0.755 363 A CB -0.738 18.364 19.000 0.170 0.000 0.978 363 A HN 1.377 nan 8.150 nan 0.000 0.507 364 G N 1.279 110.093 108.800 0.023 0.000 2.241 364 G HA2 -0.237 3.703 3.960 -0.033 0.000 0.244 364 G HA3 -0.237 3.703 3.960 -0.033 0.000 0.244 364 G C 0.500 175.426 174.900 0.043 0.000 0.998 364 G CA 0.541 45.636 45.100 -0.009 0.000 0.621 364 G HN 1.190 nan 8.290 nan 0.000 0.519 365 R N 0.586 121.118 120.500 0.053 0.000 2.442 365 R HA 0.558 4.878 4.340 -0.033 0.000 0.291 365 R C -0.122 176.226 176.300 0.080 0.000 1.069 365 R CA -0.876 55.266 56.100 0.071 0.000 1.022 365 R CB -0.252 30.068 30.300 0.034 0.000 0.976 365 R HN 0.214 nan 8.270 nan 0.000 0.443 366 F N 5.142 125.089 119.950 -0.004 0.000 2.456 366 F HA 0.347 4.854 4.527 -0.033 0.000 0.358 366 F C -0.705 175.064 175.800 -0.052 0.000 1.095 366 F CA -0.073 57.924 58.000 -0.005 0.000 1.216 366 F CB 0.781 39.788 39.000 0.013 0.000 1.125 366 F HN 0.218 nan 8.300 nan 0.000 0.549 367 V N 6.746 126.192 119.914 -0.780 0.000 2.380 367 V HA 0.124 4.225 4.120 -0.033 0.000 0.286 367 V C 0.559 176.176 176.094 -0.796 0.000 1.015 367 V CA -0.402 61.500 62.300 -0.664 0.000 0.834 367 V CB 0.900 32.192 31.823 -0.884 0.000 1.009 367 V HN 0.974 nan 8.190 nan 0.000 0.428 368 S N 2.737 118.177 115.700 -0.433 0.000 2.374 368 S HA -0.269 4.181 4.470 -0.033 0.000 0.227 368 S C 1.887 176.387 174.600 -0.167 0.000 1.037 368 S CA 2.129 60.219 58.200 -0.184 0.000 1.024 368 S CB -0.130 63.115 63.200 0.074 0.000 0.861 368 S HN 0.860 nan 8.310 nan 0.000 0.456 369 Q N 0.151 119.837 119.800 -0.190 0.000 2.135 369 Q HA -0.141 4.179 4.340 -0.033 0.000 0.204 369 Q C 1.576 177.580 176.000 0.006 0.000 0.981 369 Q CA 1.647 57.388 55.803 -0.104 0.000 0.856 369 Q CB -0.440 28.215 28.738 -0.138 0.000 0.902 369 Q HN 0.589 nan 8.270 nan 0.000 0.425 370 Y N -0.532 119.651 120.300 -0.196 0.000 2.200 370 Y HA -0.011 4.520 4.550 -0.033 0.000 0.290 370 Y C 2.295 178.107 175.900 -0.146 0.000 1.137 370 Y CA 0.746 58.739 58.100 -0.177 0.000 1.163 370 Y CB -1.269 37.063 38.460 -0.214 0.000 0.988 370 Y HN 0.256 nan 8.280 nan 0.000 0.518 371 A N 0.169 122.975 122.820 -0.023 0.000 1.902 371 A HA -0.141 4.159 4.320 -0.033 0.000 0.217 371 A C 2.355 179.979 177.584 0.067 0.000 1.181 371 A CA 1.614 53.669 52.037 0.029 0.000 0.623 371 A CB -1.069 17.992 19.000 0.102 0.000 0.818 371 A HN 0.412 nan 8.150 nan 0.000 0.443 372 I N -0.086 120.518 120.570 0.057 0.000 2.226 372 I HA -0.232 3.919 4.170 -0.033 0.000 0.245 372 I C 1.837 178.001 176.117 0.078 0.000 1.100 372 I CA 1.380 62.722 61.300 0.070 0.000 1.374 372 I CB -0.437 37.586 38.000 0.038 0.000 1.057 372 I HN 0.242 nan 8.210 nan 0.000 0.413 373 D N 0.928 121.360 120.400 0.054 0.000 2.104 373 D HA -0.154 4.467 4.640 -0.033 0.000 0.194 373 D C 2.336 178.678 176.300 0.069 0.000 0.994 373 D CA 1.310 55.342 54.000 0.054 0.000 0.830 373 D CB -0.338 40.479 40.800 0.027 0.000 0.959 373 D HN 0.277 nan 8.370 nan 0.000 0.452 374 L N 0.602 121.846 121.223 0.034 0.000 2.046 374 L HA -0.172 4.148 4.340 -0.033 0.000 0.208 374 L C 2.516 179.409 176.870 0.038 0.000 1.077 374 L CA 1.302 56.147 54.840 0.007 0.000 0.747 374 L CB -0.363 41.671 42.059 -0.041 0.000 0.896 374 L HN -0.016 nan 8.230 nan 0.000 0.432 375 A N -0.779 122.087 122.820 0.077 0.000 1.898 375 A HA -0.275 4.026 4.320 -0.033 0.000 0.216 375 A C 2.122 179.768 177.584 0.103 0.000 1.181 375 A CA 1.752 53.849 52.037 0.099 0.000 0.620 375 A CB -0.841 18.234 19.000 0.125 0.000 0.819 375 A HN 0.532 nan 8.150 nan 0.000 0.442 376 H N 0.414 119.499 119.070 0.026 0.000 2.387 376 H HA -0.081 4.456 4.556 -0.033 0.000 0.299 376 H C 1.675 177.007 175.328 0.008 0.000 1.090 376 H CA 1.934 57.993 56.048 0.018 0.000 1.332 376 H CB -0.027 29.743 29.762 0.013 0.000 1.386 376 H HN 0.399 nan 8.280 nan 0.000 0.516 377 N N 0.165 118.903 118.700 0.063 0.000 2.459 377 N HA -0.031 4.689 4.740 -0.033 0.000 0.181 377 N C 1.332 176.821 175.510 -0.036 0.000 1.046 377 N CA 0.958 54.008 53.050 -0.001 0.000 0.904 377 N CB -0.206 38.294 38.487 0.021 0.000 0.964 377 N HN 0.501 nan 8.380 nan 0.000 0.444 378 A N -0.193 122.616 122.820 -0.018 0.000 2.278 378 A HA 0.438 4.738 4.320 -0.033 0.000 0.212 378 A C 1.480 179.048 177.584 -0.025 0.000 1.213 378 A CA 0.619 52.653 52.037 -0.005 0.000 0.840 378 A CB -0.394 18.628 19.000 0.036 0.000 0.866 378 A HN 0.278 nan 8.150 nan 0.000 0.489 379 G N -1.338 107.409 108.800 -0.088 0.000 2.157 379 G HA2 -0.252 3.688 3.960 -0.033 0.000 0.248 379 G HA3 -0.252 3.688 3.960 -0.033 0.000 0.248 379 G C 0.189 175.046 174.900 -0.072 0.000 0.979 379 G CA 0.493 45.528 45.100 -0.107 0.000 0.650 379 G HN 0.612 nan 8.290 nan 0.000 0.529 380 Q N 0.000 119.780 119.800 -0.033 0.000 2.315 380 Q HA 0.000 4.320 4.340 -0.033 0.000 0.214 380 Q CA 0.000 55.816 55.803 0.021 0.000 1.022 380 Q CB 0.000 28.776 28.738 0.063 0.000 1.108 380 Q HN 0.000 nan 8.270 nan 0.000 0.481