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 1y2k_1_B DATA FIRST_RESID 86 DATA SEQUENCE TEQEDVLAKE LEDVNKWGLH VFRIAELSGN RPLTVIMHTI FQERDLLKTF DATA SEQUENCE KIPVDTLITY LMTLEDHYHA DVAYHNNIHA ADVVQSTHVL LSTPALEAVF DATA SEQUENCE TDLEILAAIF ASAIHDVDHP GVSNQFLINT NSELALMYND SSVLENHHLA DATA SEQUENCE VGFKLLQEEN CDIFQNLTKK QRQSLRKMVI DIVLATDMSK HMNLLADLKT DATA SEQUENCE MVETKKVXXX XVLLLDNYSD RIQVLQNMVH CADLSNPTKP LQLYRQWTDR DATA SEQUENCE IMEEFFRQGD RERERGMEIS PMCDKHNASV EKSQVGFIDY IVHPLWETWA DATA SEQUENCE DLVHPDAQDI LDTLEDNREW YQSTIP 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 86 T HA 0.000 nan 4.350 nan 0.000 0.228 86 T C 0.000 174.701 174.700 0.002 0.000 1.109 86 T CA 0.000 62.101 62.100 0.001 0.000 1.349 86 T CB 0.000 68.868 68.868 -0.001 0.000 0.612 87 E N 0.129 120.329 120.200 0.001 0.000 2.106 87 E HA -0.141 4.210 4.350 0.001 0.000 0.192 87 E C 1.899 178.500 176.600 0.001 0.000 0.984 87 E CA 1.544 57.944 56.400 0.001 0.000 0.806 87 E CB -0.102 29.598 29.700 -0.000 0.000 0.750 87 E HN 0.730 nan 8.360 nan 0.000 0.458 88 Q N 0.611 120.411 119.800 -0.000 0.000 2.119 88 Q HA -0.152 4.189 4.340 0.001 0.000 0.201 88 Q C 1.752 177.753 176.000 0.002 0.000 0.972 88 Q CA 1.243 57.045 55.803 -0.000 0.000 0.847 88 Q CB 0.141 28.877 28.738 -0.003 0.000 0.903 88 Q HN 0.266 nan 8.270 nan 0.000 0.433 89 E N 0.096 120.297 120.200 0.003 0.000 2.150 89 E HA -0.165 4.185 4.350 0.001 0.000 0.193 89 E C 1.451 178.056 176.600 0.008 0.000 0.985 89 E CA 1.057 57.460 56.400 0.005 0.000 0.814 89 E CB 0.122 29.825 29.700 0.006 0.000 0.752 89 E HN 0.399 nan 8.360 nan 0.000 0.466 90 D N 0.120 120.525 120.400 0.008 0.000 2.117 90 D HA -0.108 4.532 4.640 0.001 0.000 0.198 90 D C 1.996 178.303 176.300 0.011 0.000 0.982 90 D CA 0.689 54.695 54.000 0.009 0.000 0.828 90 D CB -0.081 40.723 40.800 0.008 0.000 0.967 90 D HN -0.002 nan 8.370 nan 0.000 0.464 91 V N 0.954 120.874 119.914 0.010 0.000 2.427 91 V HA -0.170 3.950 4.120 0.001 0.000 0.248 91 V C 2.370 178.474 176.094 0.017 0.000 1.051 91 V CA 0.883 63.191 62.300 0.014 0.000 1.048 91 V CB -0.381 31.448 31.823 0.011 0.000 0.666 91 V HN 0.148 nan 8.190 nan 0.000 0.456 92 L N 1.200 122.431 121.223 0.012 0.000 2.046 92 L HA -0.076 4.264 4.340 0.001 0.000 0.208 92 L C 2.444 179.322 176.870 0.013 0.000 1.077 92 L CA 2.412 57.259 54.840 0.012 0.000 0.747 92 L CB -0.967 41.097 42.059 0.008 0.000 0.896 92 L HN 0.205 nan 8.230 nan 0.000 0.432 93 A N -0.686 122.142 122.820 0.013 0.000 1.902 93 A HA -0.215 4.105 4.320 0.001 0.000 0.217 93 A C 2.352 179.943 177.584 0.011 0.000 1.181 93 A CA 1.860 53.905 52.037 0.013 0.000 0.623 93 A CB -0.523 18.485 19.000 0.014 0.000 0.818 93 A HN 0.505 nan 8.150 nan 0.000 0.443 94 K N -0.501 119.907 120.400 0.014 0.000 2.026 94 K HA -0.139 4.181 4.320 0.001 0.000 0.208 94 K C 1.923 178.531 176.600 0.013 0.000 1.048 94 K CA 1.394 57.690 56.287 0.015 0.000 0.929 94 K CB -0.164 32.348 32.500 0.020 0.000 0.713 94 K HN 0.450 nan 8.250 nan 0.000 0.439 95 E N 0.904 121.116 120.200 0.022 0.000 2.110 95 E HA -0.140 4.210 4.350 0.001 0.000 0.193 95 E C 2.012 178.606 176.600 -0.010 0.000 0.988 95 E CA 0.833 57.245 56.400 0.021 0.000 0.804 95 E CB -0.102 29.630 29.700 0.053 0.000 0.745 95 E HN 0.314 nan 8.360 nan 0.000 0.458 96 L N 0.900 122.120 121.223 -0.005 0.000 2.465 96 L HA -0.094 4.247 4.340 0.001 0.000 0.224 96 L C 2.019 178.882 176.870 -0.011 0.000 1.145 96 L CA 0.509 55.342 54.840 -0.012 0.000 0.834 96 L CB -0.214 41.841 42.059 -0.006 0.000 0.944 96 L HN 0.061 nan 8.230 nan 0.000 0.451 97 E N -0.022 120.173 120.200 -0.008 0.000 2.265 97 E HA -0.188 4.162 4.350 0.001 0.000 0.196 97 E C 0.606 177.203 176.600 -0.005 0.000 0.996 97 E CA 0.777 57.175 56.400 -0.003 0.000 0.832 97 E CB 0.049 29.749 29.700 -0.001 0.000 0.756 97 E HN 0.448 nan 8.360 nan 0.000 0.491 98 D N 0.208 120.593 120.400 -0.025 0.000 2.336 98 D HA -0.024 4.616 4.640 0.001 0.000 0.228 98 D C 1.379 177.678 176.300 -0.002 0.000 1.120 98 D CA 0.044 54.025 54.000 -0.032 0.000 0.839 98 D CB 0.552 41.288 40.800 -0.106 0.000 0.932 98 D HN -0.023 nan 8.370 nan 0.000 0.509 99 V N 1.049 120.974 119.914 0.018 0.000 2.568 99 V HA -0.207 3.914 4.120 0.001 0.000 0.253 99 V C 1.088 177.280 176.094 0.163 0.000 1.072 99 V CA 1.496 63.823 62.300 0.046 0.000 1.084 99 V CB -0.153 31.670 31.823 -0.000 0.000 0.676 99 V HN 0.177 nan 8.190 nan 0.000 0.469 100 N N 0.243 119.042 118.700 0.164 0.000 2.322 100 N HA 0.110 4.850 4.740 0.001 0.000 0.194 100 N C 0.099 175.685 175.510 0.128 0.000 1.126 100 N CA 0.293 53.454 53.050 0.186 0.000 0.845 100 N CB 0.193 38.765 38.487 0.142 0.000 0.976 100 N HN 0.560 nan 8.380 nan 0.000 0.475 101 K N -0.221 120.248 120.400 0.115 0.000 2.259 101 K HA 0.187 4.507 4.320 0.001 0.000 0.252 101 K C -0.568 176.136 176.600 0.173 0.000 0.936 101 K CA -0.678 55.684 56.287 0.125 0.000 0.810 101 K CB 1.996 34.533 32.500 0.061 0.000 1.143 101 K HN 0.071 nan 8.250 nan 0.000 0.427 102 W N 1.801 123.096 121.300 -0.009 0.000 2.303 102 W HA 0.075 4.736 4.660 0.001 0.000 0.318 102 W C 0.544 177.053 176.519 -0.017 0.000 1.362 102 W CA 1.415 58.751 57.345 -0.015 0.000 1.234 102 W CB 0.700 30.143 29.460 -0.029 0.000 1.248 102 W HN 1.005 nan 8.180 nan 0.000 0.546 103 G N 4.124 112.835 108.800 -0.148 0.000 2.154 103 G HA2 -0.287 3.674 3.960 0.001 0.000 0.186 103 G HA3 -0.287 3.674 3.960 0.001 0.000 0.186 103 G C -0.377 174.477 174.900 -0.076 0.000 1.000 103 G CA -0.262 44.795 45.100 -0.071 0.000 0.664 103 G HN 0.577 nan 8.290 nan 0.000 0.513 104 L N 1.553 122.705 121.223 -0.117 0.000 2.573 104 L HA 0.259 4.599 4.340 0.001 0.000 0.290 104 L C 0.944 177.786 176.870 -0.047 0.000 1.247 104 L CA 0.503 55.262 54.840 -0.136 0.000 0.876 104 L CB -0.030 41.969 42.059 -0.100 0.000 1.123 104 L HN 0.366 nan 8.230 nan 0.000 0.505 105 H N 4.389 123.439 119.070 -0.033 0.000 3.195 105 H HA 0.055 4.611 4.556 0.001 0.000 0.241 105 H C 1.148 176.435 175.328 -0.068 0.000 1.823 105 H CA -0.117 55.916 56.048 -0.024 0.000 1.466 105 H CB 0.463 30.221 29.762 -0.006 0.000 1.819 105 H HN 0.639 nan 8.280 nan 0.000 0.575 106 V N 1.910 121.795 119.914 -0.048 0.000 2.515 106 V HA -0.258 3.862 4.120 0.001 0.000 0.250 106 V C 1.412 177.328 176.094 -0.296 0.000 1.058 106 V CA 1.709 63.880 62.300 -0.215 0.000 1.064 106 V CB -0.423 31.217 31.823 -0.305 0.000 0.675 106 V HN 0.541 nan 8.190 nan 0.000 0.461 107 F N 0.616 120.505 119.950 -0.102 0.000 2.186 107 F HA -0.019 4.508 4.527 0.001 0.000 0.299 107 F C 2.565 178.302 175.800 -0.104 0.000 1.090 107 F CA 1.607 59.513 58.000 -0.157 0.000 1.307 107 F CB -0.611 38.240 39.000 -0.249 0.000 1.019 107 F HN 0.062 nan 8.300 nan 0.000 0.489 108 R N 0.296 120.850 120.500 0.090 0.000 2.081 108 R HA -0.115 4.225 4.340 0.001 0.000 0.235 108 R C 2.230 178.542 176.300 0.020 0.000 1.131 108 R CA 1.577 57.700 56.100 0.038 0.000 0.960 108 R CB -0.700 29.621 30.300 0.035 0.000 0.856 108 R HN 0.302 nan 8.270 nan 0.000 0.436 109 I N 0.765 121.341 120.570 0.010 0.000 2.286 109 I HA -0.265 3.905 4.170 0.001 0.000 0.248 109 I C 2.612 178.712 176.117 -0.028 0.000 1.115 109 I CA 1.133 62.425 61.300 -0.013 0.000 1.392 109 I CB -0.367 37.615 38.000 -0.029 0.000 1.065 109 I HN 0.201 nan 8.210 nan 0.000 0.418 110 A N 0.472 123.266 122.820 -0.042 0.000 1.883 110 A HA -0.240 4.080 4.320 0.001 0.000 0.217 110 A C 2.231 179.804 177.584 -0.019 0.000 1.186 110 A CA 1.814 53.827 52.037 -0.041 0.000 0.624 110 A CB -0.550 18.424 19.000 -0.043 0.000 0.822 110 A HN 0.446 nan 8.150 nan 0.000 0.444 111 E N -0.344 119.852 120.200 -0.006 0.000 2.046 111 E HA -0.095 4.256 4.350 0.001 0.000 0.190 111 E C 1.963 178.556 176.600 -0.011 0.000 0.982 111 E CA 1.071 57.466 56.400 -0.008 0.000 0.800 111 E CB -0.275 29.420 29.700 -0.008 0.000 0.756 111 E HN 0.605 nan 8.360 nan 0.000 0.449 112 L N 1.081 122.300 121.223 -0.008 0.000 2.191 112 L HA -0.128 4.212 4.340 0.001 0.000 0.212 112 L C 2.414 179.279 176.870 -0.009 0.000 1.103 112 L CA 1.136 55.973 54.840 -0.006 0.000 0.769 112 L CB -0.284 41.775 42.059 0.000 0.000 0.908 112 L HN 0.144 nan 8.230 nan 0.000 0.438 113 S N -0.671 115.021 115.700 -0.013 0.000 2.593 113 S HA 0.188 4.659 4.470 0.001 0.000 0.217 113 S C 1.326 175.914 174.600 -0.019 0.000 0.966 113 S CA 0.191 58.381 58.200 -0.016 0.000 0.914 113 S CB 0.130 63.317 63.200 -0.022 0.000 0.776 113 S HN 0.486 nan 8.310 nan 0.000 0.523 114 G N 2.058 110.848 108.800 -0.018 0.000 2.298 114 G HA2 -0.313 3.647 3.960 0.001 0.000 0.287 114 G HA3 -0.313 3.647 3.960 0.001 0.000 0.287 114 G C 0.174 175.062 174.900 -0.021 0.000 1.075 114 G CA 0.028 45.117 45.100 -0.018 0.000 0.960 114 G HN 0.947 nan 8.290 nan 0.000 0.502 115 N N -1.457 117.230 118.700 -0.022 0.000 2.735 115 N HA -0.190 4.550 4.740 0.001 0.000 0.248 115 N C 0.834 176.324 175.510 -0.033 0.000 1.083 115 N CA 1.528 54.563 53.050 -0.025 0.000 0.703 115 N CB -0.292 38.185 38.487 -0.017 0.000 1.005 115 N HN 0.670 nan 8.380 nan 0.000 0.550 116 R N -0.504 119.973 120.500 -0.038 0.000 2.816 116 R HA 0.265 4.605 4.340 0.001 0.000 0.382 116 R C -1.711 174.555 176.300 -0.058 0.000 1.140 116 R CA -1.052 55.020 56.100 -0.047 0.000 1.050 116 R CB 0.576 30.851 30.300 -0.041 0.000 1.396 116 R HN 0.344 nan 8.270 nan 0.000 0.583 117 P HA -0.161 nan 4.420 nan 0.000 0.216 117 P C 1.412 178.653 177.300 -0.098 0.000 1.153 117 P CA 0.636 63.683 63.100 -0.087 0.000 0.848 117 P CB 0.415 32.047 31.700 -0.114 0.000 0.787 118 L N -0.094 121.055 121.223 -0.123 0.000 2.046 118 L HA -0.081 4.259 4.340 0.001 0.000 0.208 118 L C 2.302 179.120 176.870 -0.086 0.000 1.077 118 L CA 2.234 56.996 54.840 -0.131 0.000 0.747 118 L CB -1.706 40.245 42.059 -0.181 0.000 0.896 118 L HN -0.080 nan 8.230 nan 0.000 0.432 119 T N -0.750 113.759 114.554 -0.075 0.000 2.674 119 T HA -0.164 4.186 4.350 0.001 0.000 0.265 119 T C 1.921 176.607 174.700 -0.023 0.000 1.039 119 T CA 2.047 64.110 62.100 -0.062 0.000 1.150 119 T CB -0.514 68.313 68.868 -0.068 0.000 0.864 119 T HN 0.401 nan 8.240 nan 0.000 0.427 120 V N -0.133 119.772 119.914 -0.016 0.000 2.453 120 V HA 0.017 4.137 4.120 0.001 0.000 0.247 120 V C 2.216 178.325 176.094 0.025 0.000 1.048 120 V CA 1.255 63.571 62.300 0.027 0.000 1.049 120 V CB -0.946 30.884 31.823 0.011 0.000 0.672 120 V HN 0.453 nan 8.190 nan 0.000 0.457 121 I N -0.639 119.921 120.570 -0.017 0.000 2.286 121 I HA -0.126 4.044 4.170 0.001 0.000 0.245 121 I C 2.848 178.956 176.117 -0.015 0.000 1.104 121 I CA 1.601 62.881 61.300 -0.034 0.000 1.397 121 I CB -0.256 37.706 38.000 -0.062 0.000 1.072 121 I HN 0.238 nan 8.210 nan 0.000 0.417 122 M N -0.286 119.311 119.600 -0.005 0.000 2.117 122 M HA -0.245 4.235 4.480 0.001 0.000 0.262 122 M C 2.492 178.816 176.300 0.040 0.000 1.065 122 M CA 1.875 57.187 55.300 0.020 0.000 1.114 122 M CB -1.366 31.194 32.600 -0.068 0.000 1.361 122 M HN 0.294 nan 8.290 nan 0.000 0.408 123 H N 0.357 119.377 119.070 -0.083 0.000 2.321 123 H HA -0.091 4.465 4.556 0.001 0.000 0.300 123 H C 1.759 177.112 175.328 0.041 0.000 1.087 123 H CA 2.502 58.521 56.048 -0.047 0.000 1.319 123 H CB -0.282 29.449 29.762 -0.052 0.000 1.379 123 H HN 0.254 nan 8.280 nan 0.000 0.501 124 T N 0.547 115.049 114.554 -0.088 0.000 2.720 124 T HA -0.125 4.225 4.350 0.001 0.000 0.268 124 T C 2.265 176.900 174.700 -0.109 0.000 1.037 124 T CA 1.686 63.703 62.100 -0.138 0.000 1.144 124 T CB -0.293 68.533 68.868 -0.071 0.000 0.864 124 T HN 0.289 nan 8.240 nan 0.000 0.444 125 I N -0.100 120.426 120.570 -0.072 0.000 2.252 125 I HA -0.096 4.074 4.170 0.001 0.000 0.245 125 I C 1.964 178.109 176.117 0.047 0.000 1.102 125 I CA 1.109 62.323 61.300 -0.144 0.000 1.385 125 I CB -0.287 37.583 38.000 -0.217 0.000 1.064 125 I HN 0.134 nan 8.210 nan 0.000 0.414 126 F N 0.893 120.799 119.950 -0.074 0.000 2.171 126 F HA -0.219 4.308 4.527 0.001 0.000 0.300 126 F C 2.688 178.469 175.800 -0.033 0.000 1.090 126 F CA 1.286 59.286 58.000 -0.001 0.000 1.293 126 F CB -0.593 38.440 39.000 0.054 0.000 1.013 126 F HN 0.099 nan 8.300 nan 0.000 0.486 127 Q N -0.156 119.671 119.800 0.046 0.000 2.079 127 Q HA -0.208 4.132 4.340 0.001 0.000 0.200 127 Q C 2.210 178.202 176.000 -0.012 0.000 0.974 127 Q CA 1.484 57.266 55.803 -0.036 0.000 0.840 127 Q CB -0.525 28.105 28.738 -0.180 0.000 0.898 127 Q HN 0.420 nan 8.270 nan 0.000 0.430 128 E N 0.994 121.183 120.200 -0.018 0.000 2.110 128 E HA -0.135 4.215 4.350 0.001 0.000 0.193 128 E C 1.458 178.083 176.600 0.043 0.000 0.988 128 E CA 1.111 57.518 56.400 0.013 0.000 0.804 128 E CB 0.104 29.814 29.700 0.015 0.000 0.745 128 E HN 0.146 nan 8.360 nan 0.000 0.458 129 R N -0.111 120.410 120.500 0.035 0.000 2.317 129 R HA 0.047 4.388 4.340 0.001 0.000 0.208 129 R C 0.056 176.363 176.300 0.010 0.000 0.914 129 R CA 0.632 56.754 56.100 0.036 0.000 1.060 129 R CB 0.222 30.537 30.300 0.025 0.000 1.015 129 R HN 0.104 nan 8.270 nan 0.000 0.498 130 D N 0.124 120.533 120.400 0.014 0.000 2.837 130 D HA -0.185 4.455 4.640 0.001 0.000 0.230 130 D C 0.485 176.796 176.300 0.017 0.000 1.152 130 D CA 0.448 54.458 54.000 0.016 0.000 0.736 130 D CB -1.059 39.742 40.800 0.001 0.000 1.084 130 D HN 0.248 nan 8.370 nan 0.000 0.429 131 L N -0.642 120.593 121.223 0.021 0.000 2.201 131 L HA -0.110 4.231 4.340 0.001 0.000 0.212 131 L C 2.404 179.399 176.870 0.208 0.000 1.105 131 L CA 0.654 55.533 54.840 0.064 0.000 0.775 131 L CB -0.209 41.700 42.059 -0.249 0.000 0.913 131 L HN 0.204 nan 8.230 nan 0.000 0.440 132 L N -0.215 121.141 121.223 0.221 0.000 2.056 132 L HA -0.215 4.125 4.340 0.001 0.000 0.207 132 L C 2.601 179.555 176.870 0.141 0.000 1.078 132 L CA 1.590 56.568 54.840 0.229 0.000 0.749 132 L CB -0.559 41.626 42.059 0.210 0.000 0.901 132 L HN 0.169 nan 8.230 nan 0.000 0.433 133 K N -0.684 119.762 120.400 0.078 0.000 2.031 133 K HA -0.131 4.190 4.320 0.001 0.000 0.205 133 K C 2.080 178.664 176.600 -0.027 0.000 1.049 133 K CA 1.641 57.945 56.287 0.028 0.000 0.939 133 K CB -0.095 32.410 32.500 0.009 0.000 0.717 133 K HN 0.175 nan 8.250 nan 0.000 0.438 134 T N 0.396 114.892 114.554 -0.097 0.000 2.684 134 T HA -0.129 4.221 4.350 0.001 0.000 0.267 134 T C 0.939 175.375 174.700 -0.440 0.000 1.036 134 T CA 1.441 63.347 62.100 -0.323 0.000 1.148 134 T CB -0.179 68.398 68.868 -0.484 0.000 0.863 134 T HN 0.169 nan 8.240 nan 0.000 0.436 135 F N 0.868 120.847 119.950 0.049 0.000 2.639 135 F HA 0.400 4.927 4.527 0.001 0.000 0.302 135 F C 0.769 176.611 175.800 0.070 0.000 1.097 135 F CA -0.704 57.336 58.000 0.067 0.000 1.294 135 F CB -0.297 38.762 39.000 0.099 0.000 1.027 135 F HN -0.072 nan 8.300 nan 0.000 0.550 136 K N 1.149 121.644 120.400 0.159 0.000 3.278 136 K HA -0.214 4.106 4.320 0.001 0.000 0.270 136 K C -0.421 176.257 176.600 0.131 0.000 0.955 136 K CA 0.342 56.700 56.287 0.118 0.000 0.723 136 K CB -1.819 30.735 32.500 0.089 0.000 1.382 136 K HN 0.348 nan 8.250 nan 0.000 0.461 137 I N 1.502 122.168 120.570 0.160 0.000 2.312 137 I HA 0.156 4.326 4.170 0.001 0.000 0.291 137 I C -1.853 174.321 176.117 0.095 0.000 1.031 137 I CA -2.418 58.958 61.300 0.127 0.000 1.293 137 I CB 0.593 38.701 38.000 0.181 0.000 1.403 137 I HN -0.104 nan 8.210 nan 0.000 0.484 138 P HA -0.026 nan 4.420 nan 0.000 0.268 138 P C 0.858 178.184 177.300 0.043 0.000 1.204 138 P CA -0.030 63.097 63.100 0.046 0.000 0.768 138 P CB 1.105 32.821 31.700 0.027 0.000 0.842 139 V N 2.908 122.853 119.914 0.051 0.000 2.332 139 V HA -0.245 3.876 4.120 0.001 0.000 0.248 139 V C 1.423 177.507 176.094 -0.016 0.000 1.055 139 V CA 2.178 64.504 62.300 0.043 0.000 1.038 139 V CB -0.705 31.156 31.823 0.064 0.000 0.651 139 V HN 0.488 nan 8.190 nan 0.000 0.450 140 D N -0.583 119.809 120.400 -0.013 0.000 2.178 140 D HA -0.121 4.519 4.640 0.001 0.000 0.201 140 D C 2.218 178.505 176.300 -0.021 0.000 0.980 140 D CA 1.841 55.825 54.000 -0.027 0.000 0.842 140 D CB -0.333 40.458 40.800 -0.014 0.000 0.948 140 D HN 0.491 nan 8.370 nan 0.000 0.472 141 T N 1.344 115.893 114.554 -0.010 0.000 2.777 141 T HA -0.124 4.226 4.350 0.001 0.000 0.266 141 T C 1.950 176.644 174.700 -0.009 0.000 1.040 141 T CA 0.427 62.523 62.100 -0.008 0.000 1.141 141 T CB -0.286 68.572 68.868 -0.017 0.000 0.868 141 T HN 0.037 nan 8.240 nan 0.000 0.444 142 L N 1.258 122.463 121.223 -0.031 0.000 2.012 142 L HA -0.044 4.297 4.340 0.001 0.000 0.210 142 L C 2.065 178.904 176.870 -0.053 0.000 1.073 142 L CA 1.625 56.429 54.840 -0.060 0.000 0.748 142 L CB -0.700 41.314 42.059 -0.075 0.000 0.891 142 L HN 0.155 nan 8.230 nan 0.000 0.431 143 I N -0.730 119.787 120.570 -0.088 0.000 2.252 143 I HA -0.234 3.936 4.170 0.001 0.000 0.245 143 I C 2.363 178.443 176.117 -0.062 0.000 1.102 143 I CA 1.583 62.815 61.300 -0.114 0.000 1.385 143 I CB -1.867 36.035 38.000 -0.163 0.000 1.064 143 I HN 0.298 nan 8.210 nan 0.000 0.414 144 T N 0.452 114.990 114.554 -0.027 0.000 2.708 144 T HA -0.244 4.106 4.350 0.001 0.000 0.266 144 T C 1.885 176.591 174.700 0.010 0.000 1.037 144 T CA 1.593 63.689 62.100 -0.006 0.000 1.146 144 T CB -0.570 68.305 68.868 0.013 0.000 0.865 144 T HN 0.316 nan 8.240 nan 0.000 0.435 145 Y N 1.730 121.994 120.300 -0.060 0.000 2.145 145 Y HA -0.056 4.495 4.550 0.001 0.000 0.286 145 Y C 2.028 177.905 175.900 -0.038 0.000 1.145 145 Y CA 1.059 59.130 58.100 -0.048 0.000 1.148 145 Y CB -0.568 37.847 38.460 -0.074 0.000 0.981 145 Y HN 0.112 nan 8.280 nan 0.000 0.507 146 L N -0.681 120.470 121.223 -0.121 0.000 2.042 146 L HA -0.291 4.049 4.340 0.001 0.000 0.210 146 L C 2.506 179.268 176.870 -0.181 0.000 1.076 146 L CA 1.386 56.119 54.840 -0.178 0.000 0.749 146 L CB -0.541 41.461 42.059 -0.095 0.000 0.893 146 L HN 0.321 nan 8.230 nan 0.000 0.432 147 M N -1.050 118.474 119.600 -0.126 0.000 2.175 147 M HA -0.138 4.342 4.480 0.001 0.000 0.264 147 M C 2.326 178.583 176.300 -0.073 0.000 1.063 147 M CA 1.692 56.942 55.300 -0.083 0.000 1.119 147 M CB -1.243 31.322 32.600 -0.060 0.000 1.377 147 M HN 0.252 nan 8.290 nan 0.000 0.415 148 T N 1.616 116.103 114.554 -0.112 0.000 2.708 148 T HA -0.124 4.226 4.350 0.001 0.000 0.266 148 T C 1.861 176.531 174.700 -0.050 0.000 1.037 148 T CA 1.142 63.206 62.100 -0.060 0.000 1.146 148 T CB -0.398 68.408 68.868 -0.103 0.000 0.865 148 T HN 0.228 nan 8.240 nan 0.000 0.435 149 L N 1.403 122.436 121.223 -0.317 0.000 2.012 149 L HA -0.060 4.280 4.340 0.001 0.000 0.210 149 L C 2.449 179.350 176.870 0.051 0.000 1.073 149 L CA 2.016 56.696 54.840 -0.266 0.000 0.748 149 L CB -0.659 41.099 42.059 -0.501 0.000 0.891 149 L HN 0.267 nan 8.230 nan 0.000 0.431 150 E N -0.820 119.401 120.200 0.035 0.000 2.118 150 E HA -0.261 4.090 4.350 0.001 0.000 0.195 150 E C 1.700 178.395 176.600 0.159 0.000 0.992 150 E CA 1.470 57.943 56.400 0.123 0.000 0.804 150 E CB -0.073 29.625 29.700 -0.002 0.000 0.741 150 E HN 0.543 nan 8.360 nan 0.000 0.458 151 D N -0.499 119.956 120.400 0.091 0.000 2.221 151 D HA -0.146 4.494 4.640 0.001 0.000 0.204 151 D C 1.150 177.428 176.300 -0.036 0.000 0.982 151 D CA 1.043 55.057 54.000 0.023 0.000 0.857 151 D CB -0.200 40.589 40.800 -0.019 0.000 0.934 151 D HN 0.392 nan 8.370 nan 0.000 0.475 152 H N -1.757 117.325 119.070 0.020 0.000 2.539 152 H HA 0.120 4.677 4.556 0.001 0.000 0.267 152 H C -0.195 175.142 175.328 0.015 0.000 0.982 152 H CA 0.018 56.061 56.048 -0.009 0.000 1.146 152 H CB -0.099 29.618 29.762 -0.074 0.000 1.382 152 H HN 0.135 nan 8.280 nan 0.000 0.577 153 Y N 0.613 121.007 120.300 0.156 0.000 2.304 153 Y HA 0.106 4.657 4.550 0.001 0.000 0.327 153 Y C 0.720 176.764 175.900 0.240 0.000 1.209 153 Y CA -0.268 57.943 58.100 0.184 0.000 1.299 153 Y CB 0.562 39.066 38.460 0.073 0.000 1.249 153 Y HN 0.234 nan 8.280 nan 0.000 0.519 154 H N 1.755 120.938 119.070 0.188 0.000 2.620 154 H HA 0.242 4.798 4.556 0.001 0.000 0.313 154 H C 0.383 175.773 175.328 0.104 0.000 1.075 154 H CA -0.062 56.056 56.048 0.117 0.000 1.397 154 H CB 1.531 31.363 29.762 0.118 0.000 1.446 154 H HN 0.955 nan 8.280 nan 0.000 0.493 155 A N 3.158 126.066 122.820 0.147 0.000 2.015 155 A HA -0.173 4.148 4.320 0.001 0.000 0.219 155 A C 1.549 179.187 177.584 0.090 0.000 1.163 155 A CA 1.481 53.573 52.037 0.091 0.000 0.646 155 A CB -0.112 18.911 19.000 0.038 0.000 0.806 155 A HN 0.806 nan 8.150 nan 0.000 0.448 156 D N -0.859 119.608 120.400 0.111 0.000 2.342 156 D HA 0.155 4.796 4.640 0.001 0.000 0.221 156 D C -0.181 176.187 176.300 0.114 0.000 1.101 156 D CA -0.098 53.958 54.000 0.094 0.000 0.837 156 D CB -0.320 40.525 40.800 0.076 0.000 0.938 156 D HN 0.085 nan 8.370 nan 0.000 0.508 157 V N 1.305 121.306 119.914 0.145 0.000 2.370 157 V HA 0.471 4.592 4.120 0.001 0.000 0.279 157 V C 1.428 177.578 176.094 0.093 0.000 1.029 157 V CA -0.270 62.107 62.300 0.129 0.000 0.870 157 V CB 1.095 33.011 31.823 0.155 0.000 0.984 157 V HN 0.227 nan 8.190 nan 0.000 0.451 158 A N 4.077 126.936 122.820 0.065 0.000 1.930 158 A HA -0.139 4.181 4.320 0.001 0.000 0.217 158 A C 1.740 179.364 177.584 0.066 0.000 1.175 158 A CA 1.704 53.767 52.037 0.043 0.000 0.627 158 A CB -0.256 18.750 19.000 0.010 0.000 0.815 158 A HN 0.915 nan 8.150 nan 0.000 0.443 159 Y N -1.146 119.093 120.300 -0.102 0.000 2.447 159 Y HA 0.210 4.760 4.550 0.001 0.000 0.286 159 Y C 0.811 176.546 175.900 -0.275 0.000 1.153 159 Y CA 0.449 58.436 58.100 -0.189 0.000 1.241 159 Y CB 0.262 38.450 38.460 -0.453 0.000 1.284 159 Y HN 0.352 nan 8.280 nan 0.000 0.520 160 H N 2.106 121.163 119.070 -0.021 0.000 2.970 160 H HA 0.180 4.737 4.556 0.001 0.000 0.226 160 H C -0.768 174.581 175.328 0.035 0.000 1.909 160 H CA -0.142 55.813 56.048 -0.154 0.000 1.388 160 H CB -0.871 28.532 29.762 -0.598 0.000 1.773 160 H HN 0.410 nan 8.280 nan 0.000 0.559 161 N N -0.868 117.901 118.700 0.116 0.000 3.091 161 N HA 0.036 4.777 4.740 0.001 0.000 0.329 161 N C 0.983 176.406 175.510 -0.144 0.000 1.430 161 N CA -0.964 52.177 53.050 0.152 0.000 0.755 161 N CB 0.330 38.876 38.487 0.099 0.000 1.626 161 N HN 0.108 nan 8.380 nan 0.000 0.614 162 N N 0.157 118.718 118.700 -0.232 0.000 2.289 162 N HA -0.130 4.611 4.740 0.001 0.000 0.184 162 N C 1.169 176.476 175.510 -0.339 0.000 1.016 162 N CA 1.231 53.977 53.050 -0.507 0.000 0.872 162 N CB -0.520 37.825 38.487 -0.235 0.000 0.973 162 N HN 0.684 nan 8.380 nan 0.000 0.433 163 I N 0.352 120.825 120.570 -0.163 0.000 2.252 163 I HA -0.216 3.954 4.170 0.001 0.000 0.245 163 I C 2.621 178.714 176.117 -0.040 0.000 1.102 163 I CA 1.366 62.602 61.300 -0.107 0.000 1.385 163 I CB -0.569 37.387 38.000 -0.073 0.000 1.064 163 I HN 0.171 nan 8.210 nan 0.000 0.414 164 H N 1.639 120.618 119.070 -0.151 0.000 2.353 164 H HA -0.120 4.437 4.556 0.001 0.000 0.300 164 H C 2.168 177.321 175.328 -0.293 0.000 1.090 164 H CA 1.759 57.583 56.048 -0.373 0.000 1.327 164 H CB -0.050 29.364 29.762 -0.581 0.000 1.383 164 H HN 0.268 nan 8.280 nan 0.000 0.508 165 A N 1.017 123.565 122.820 -0.453 0.000 1.883 165 A HA -0.098 4.222 4.320 0.001 0.000 0.217 165 A C 2.668 180.054 177.584 -0.330 0.000 1.186 165 A CA 1.980 53.751 52.037 -0.442 0.000 0.624 165 A CB -1.472 17.079 19.000 -0.747 0.000 0.822 165 A HN 0.648 nan 8.150 nan 0.000 0.444 166 A N -0.154 122.483 122.820 -0.304 0.000 1.902 166 A HA -0.206 4.115 4.320 0.001 0.000 0.217 166 A C 1.849 179.309 177.584 -0.207 0.000 1.181 166 A CA 2.247 54.156 52.037 -0.214 0.000 0.623 166 A CB -0.697 18.191 19.000 -0.187 0.000 0.818 166 A HN 0.573 nan 8.150 nan 0.000 0.443 167 D N -0.553 119.696 120.400 -0.251 0.000 2.117 167 D HA -0.110 4.530 4.640 0.001 0.000 0.198 167 D C 1.762 177.871 176.300 -0.318 0.000 0.982 167 D CA 1.548 55.387 54.000 -0.268 0.000 0.828 167 D CB -0.094 40.540 40.800 -0.277 0.000 0.967 167 D HN 0.148 nan 8.370 nan 0.000 0.464 168 V N -0.160 119.517 119.914 -0.395 0.000 2.358 168 V HA -0.179 3.942 4.120 0.001 0.000 0.246 168 V C 2.646 178.613 176.094 -0.211 0.000 1.047 168 V CA 1.123 63.210 62.300 -0.355 0.000 1.035 168 V CB -0.336 31.188 31.823 -0.499 0.000 0.658 168 V HN 0.144 nan 8.190 nan 0.000 0.452 169 V N -0.139 119.679 119.914 -0.160 0.000 2.255 169 V HA -0.325 3.796 4.120 0.001 0.000 0.247 169 V C 2.551 178.640 176.094 -0.008 0.000 1.051 169 V CA 2.431 64.695 62.300 -0.059 0.000 1.018 169 V CB -0.641 31.158 31.823 -0.040 0.000 0.641 169 V HN 0.567 nan 8.190 nan 0.000 0.445 170 Q N -0.325 119.447 119.800 -0.046 0.000 2.119 170 Q HA -0.163 4.177 4.340 0.001 0.000 0.201 170 Q C 2.381 178.412 176.000 0.052 0.000 0.972 170 Q CA 2.057 57.869 55.803 0.015 0.000 0.847 170 Q CB -0.099 28.608 28.738 -0.051 0.000 0.903 170 Q HN 0.671 nan 8.270 nan 0.000 0.433 171 S N -0.067 115.592 115.700 -0.068 0.000 2.368 171 S HA -0.088 4.382 4.470 0.001 0.000 0.224 171 S C 1.971 176.669 174.600 0.163 0.000 1.029 171 S CA 1.530 59.708 58.200 -0.036 0.000 0.988 171 S CB -0.337 62.719 63.200 -0.240 0.000 0.838 171 S HN 0.440 nan 8.310 nan 0.000 0.462 172 T N 0.820 115.407 114.554 0.055 0.000 2.746 172 T HA -0.159 4.191 4.350 0.001 0.000 0.267 172 T C 1.728 176.490 174.700 0.103 0.000 1.039 172 T CA 1.804 63.927 62.100 0.039 0.000 1.142 172 T CB -0.463 68.393 68.868 -0.020 0.000 0.866 172 T HN 0.616 nan 8.240 nan 0.000 0.444 173 H N 0.903 120.003 119.070 0.050 0.000 2.352 173 H HA -0.044 4.512 4.556 0.001 0.000 0.299 173 H C 1.943 177.337 175.328 0.109 0.000 1.097 173 H CA 1.585 57.673 56.048 0.067 0.000 1.311 173 H CB -0.558 29.239 29.762 0.058 0.000 1.377 173 H HN 0.159 nan 8.280 nan 0.000 0.504 174 V N 0.633 120.559 119.914 0.020 0.000 2.379 174 V HA -0.203 3.917 4.120 0.001 0.000 0.245 174 V C 2.733 178.876 176.094 0.081 0.000 1.044 174 V CA 1.673 63.996 62.300 0.039 0.000 1.036 174 V CB -0.600 31.423 31.823 0.334 0.000 0.664 174 V HN 0.412 nan 8.190 nan 0.000 0.453 175 L N -0.682 120.638 121.223 0.162 0.000 2.083 175 L HA -0.185 4.156 4.340 0.001 0.000 0.209 175 L C 2.395 179.367 176.870 0.171 0.000 1.083 175 L CA 1.415 56.351 54.840 0.160 0.000 0.752 175 L CB -0.527 41.571 42.059 0.065 0.000 0.899 175 L HN 0.311 nan 8.230 nan 0.000 0.433 176 L N -0.779 120.500 121.223 0.093 0.000 2.191 176 L HA -0.160 4.181 4.340 0.001 0.000 0.212 176 L C 2.231 179.160 176.870 0.098 0.000 1.103 176 L CA 0.899 55.801 54.840 0.104 0.000 0.769 176 L CB -0.243 41.846 42.059 0.049 0.000 0.908 176 L HN 0.202 nan 8.230 nan 0.000 0.438 177 S N -1.896 113.812 115.700 0.014 0.000 2.593 177 S HA -0.029 4.441 4.470 0.001 0.000 0.217 177 S C 0.918 175.536 174.600 0.031 0.000 0.966 177 S CA 0.019 58.217 58.200 -0.005 0.000 0.914 177 S CB -0.251 62.892 63.200 -0.096 0.000 0.776 177 S HN 0.319 nan 8.310 nan 0.000 0.523 178 T N 3.588 118.188 114.554 0.075 0.000 2.902 178 T HA 0.092 4.443 4.350 0.001 0.000 0.301 178 T C -1.628 173.091 174.700 0.032 0.000 1.012 178 T CA -1.453 60.685 62.100 0.065 0.000 1.151 178 T CB 0.646 69.589 68.868 0.124 0.000 0.946 178 T HN 0.003 nan 8.240 nan 0.000 0.542 179 P HA -0.112 nan 4.420 nan 0.000 0.217 179 P C 1.165 178.448 177.300 -0.029 0.000 1.151 179 P CA 1.233 64.324 63.100 -0.015 0.000 0.849 179 P CB -0.002 31.681 31.700 -0.029 0.000 0.787 180 A N -1.229 121.564 122.820 -0.044 0.000 2.121 180 A HA -0.076 4.244 4.320 0.001 0.000 0.218 180 A C 1.812 179.351 177.584 -0.073 0.000 1.154 180 A CA 1.124 53.117 52.037 -0.073 0.000 0.679 180 A CB -1.233 17.700 19.000 -0.112 0.000 0.795 180 A HN 0.196 nan 8.150 nan 0.000 0.458 181 L N -0.441 120.765 121.223 -0.028 0.000 2.818 181 L HA 0.190 4.530 4.340 0.001 0.000 0.243 181 L C 0.551 177.415 176.870 -0.009 0.000 1.185 181 L CA -0.318 54.510 54.840 -0.020 0.000 0.988 181 L CB -0.014 42.122 42.059 0.129 0.000 1.292 181 L HN 0.397 nan 8.230 nan 0.000 0.519 182 E N 1.555 121.746 120.200 -0.014 0.000 2.417 182 E HA 0.139 4.489 4.350 0.001 0.000 0.261 182 E C 1.163 177.746 176.600 -0.027 0.000 1.000 182 E CA 0.779 57.176 56.400 -0.005 0.000 0.919 182 E CB 0.526 30.219 29.700 -0.011 0.000 0.955 182 E HN 0.314 nan 8.360 nan 0.000 0.455 183 A N 2.858 125.675 122.820 -0.005 0.000 2.945 183 A HA -0.232 4.088 4.320 0.001 0.000 0.263 183 A C 1.105 178.650 177.584 -0.066 0.000 1.293 183 A CA 1.089 53.116 52.037 -0.018 0.000 0.944 183 A CB -2.117 16.869 19.000 -0.023 0.000 1.093 183 A HN 0.483 nan 8.150 nan 0.000 0.786 184 V N -1.731 118.099 119.914 -0.139 0.000 2.446 184 V HA 0.099 4.220 4.120 0.001 0.000 0.244 184 V C 1.213 177.066 176.094 -0.402 0.000 1.039 184 V CA 1.826 63.919 62.300 -0.346 0.000 1.045 184 V CB -0.386 31.085 31.823 -0.588 0.000 0.681 184 V HN 0.520 nan 8.190 nan 0.000 0.459 185 F N 0.775 120.743 119.950 0.030 0.000 2.397 185 F HA 0.473 5.000 4.527 0.000 0.000 0.331 185 F C 1.016 176.846 175.800 0.049 0.000 1.090 185 F CA -0.955 57.071 58.000 0.044 0.000 1.065 185 F CB 0.770 39.802 39.000 0.054 0.000 1.184 185 F HN -0.022 nan 8.300 nan 0.000 0.499 186 T N -2.158 112.555 114.554 0.265 0.000 2.788 186 T HA 0.123 4.473 4.350 0.001 0.000 0.287 186 T C 0.768 175.586 174.700 0.197 0.000 1.007 186 T CA -0.718 61.489 62.100 0.180 0.000 1.005 186 T CB 0.775 69.738 68.868 0.157 0.000 1.012 186 T HN 0.493 nan 8.240 nan 0.000 0.530 187 D N -0.096 120.411 120.400 0.179 0.000 2.144 187 D HA -0.073 4.567 4.640 0.001 0.000 0.199 187 D C 1.896 178.431 176.300 0.392 0.000 0.984 187 D CA 0.727 54.872 54.000 0.242 0.000 0.834 187 D CB -0.246 40.626 40.800 0.120 0.000 0.955 187 D HN 0.391 nan 8.370 nan 0.000 0.465 188 L N 1.177 122.624 121.223 0.375 0.000 2.093 188 L HA -0.118 4.223 4.340 0.001 0.000 0.208 188 L C 1.980 178.888 176.870 0.064 0.000 1.085 188 L CA 1.619 56.571 54.840 0.187 0.000 0.755 188 L CB -0.231 41.914 42.059 0.143 0.000 0.904 188 L HN -0.084 nan 8.230 nan 0.000 0.435 189 E N -0.575 119.697 120.200 0.119 0.000 2.106 189 E HA -0.201 4.149 4.350 0.001 0.000 0.192 189 E C 2.251 178.850 176.600 -0.002 0.000 0.984 189 E CA 1.484 57.931 56.400 0.078 0.000 0.806 189 E CB -0.142 29.665 29.700 0.178 0.000 0.750 189 E HN 0.521 nan 8.360 nan 0.000 0.458 190 I N 0.630 121.229 120.570 0.048 0.000 2.179 190 I HA -0.256 3.914 4.170 0.001 0.000 0.242 190 I C 2.385 178.507 176.117 0.009 0.000 1.088 190 I CA 0.566 61.878 61.300 0.020 0.000 1.357 190 I CB -0.128 37.923 38.000 0.084 0.000 1.051 190 I HN 0.155 nan 8.210 nan 0.000 0.409 191 L N 1.141 122.367 121.223 0.005 0.000 2.042 191 L HA -0.185 4.155 4.340 0.001 0.000 0.210 191 L C 2.545 179.439 176.870 0.040 0.000 1.076 191 L CA 2.183 56.992 54.840 -0.051 0.000 0.749 191 L CB -0.775 41.129 42.059 -0.259 0.000 0.893 191 L HN 0.202 nan 8.230 nan 0.000 0.432 192 A N -0.519 122.301 122.820 -0.001 0.000 1.877 192 A HA -0.120 4.200 4.320 0.001 0.000 0.216 192 A C 2.451 180.100 177.584 0.108 0.000 1.186 192 A CA 1.948 54.019 52.037 0.057 0.000 0.620 192 A CB -1.224 17.788 19.000 0.020 0.000 0.822 192 A HN 0.584 nan 8.150 nan 0.000 0.443 193 A N -0.291 122.546 122.820 0.027 0.000 1.898 193 A HA -0.036 4.284 4.320 0.001 0.000 0.216 193 A C 2.126 179.738 177.584 0.048 0.000 1.181 193 A CA 1.501 53.534 52.037 -0.006 0.000 0.620 193 A CB -0.551 18.384 19.000 -0.108 0.000 0.819 193 A HN 0.502 nan 8.150 nan 0.000 0.442 194 I N -2.116 118.515 120.570 0.101 0.000 2.286 194 I HA -0.167 4.003 4.170 0.001 0.000 0.245 194 I C 2.329 178.594 176.117 0.247 0.000 1.104 194 I CA 1.323 62.719 61.300 0.161 0.000 1.397 194 I CB -0.324 37.785 38.000 0.182 0.000 1.072 194 I HN 0.422 nan 8.210 nan 0.000 0.417 195 F N 1.955 122.012 119.950 0.179 0.000 2.134 195 F HA -0.216 4.311 4.527 0.001 0.000 0.299 195 F C 2.484 178.357 175.800 0.123 0.000 1.097 195 F CA 1.370 59.498 58.000 0.213 0.000 1.264 195 F CB -0.365 38.806 39.000 0.286 0.000 1.001 195 F HN -0.000 nan 8.300 nan 0.000 0.479 196 A N -0.422 122.466 122.820 0.112 0.000 1.883 196 A HA -0.206 4.114 4.320 0.001 0.000 0.217 196 A C 2.375 179.937 177.584 -0.036 0.000 1.186 196 A CA 2.204 54.235 52.037 -0.010 0.000 0.624 196 A CB -1.351 17.683 19.000 0.057 0.000 0.822 196 A HN 0.444 nan 8.150 nan 0.000 0.444 197 S N -0.209 115.478 115.700 -0.022 0.000 2.370 197 S HA -0.069 4.401 4.470 0.001 0.000 0.226 197 S C 2.282 176.909 174.600 0.046 0.000 1.033 197 S CA 1.247 59.415 58.200 -0.052 0.000 1.011 197 S CB -0.482 62.671 63.200 -0.078 0.000 0.852 197 S HN 0.821 nan 8.310 nan 0.000 0.457 198 A N 1.685 124.495 122.820 -0.017 0.000 1.933 198 A HA -0.014 4.306 4.320 0.001 0.000 0.218 198 A C 2.059 179.636 177.584 -0.012 0.000 1.175 198 A CA 1.449 53.467 52.037 -0.032 0.000 0.628 198 A CB -0.676 18.303 19.000 -0.034 0.000 0.814 198 A HN 0.690 nan 8.150 nan 0.000 0.444 199 I N -3.085 117.386 120.570 -0.165 0.000 3.883 199 I HA 0.061 4.231 4.170 0.001 0.000 0.326 199 I C 1.900 177.955 176.117 -0.104 0.000 1.283 199 I CA 0.707 61.898 61.300 -0.181 0.000 1.161 199 I CB -0.499 37.222 38.000 -0.466 0.000 1.012 199 I HN 0.482 nan 8.210 nan 0.000 0.421 200 H N 0.615 119.633 119.070 -0.087 0.000 2.489 200 H HA -0.093 4.463 4.556 0.001 0.000 0.293 200 H C 0.105 175.319 175.328 -0.190 0.000 1.066 200 H CA 1.414 57.426 56.048 -0.060 0.000 1.305 200 H CB -0.153 29.599 29.762 -0.017 0.000 1.386 200 H HN 0.401 nan 8.280 nan 0.000 0.551 201 D N 1.078 120.954 120.400 -0.873 0.000 2.599 201 D HA 0.119 4.759 4.640 0.001 0.000 0.249 201 D C -0.164 175.610 176.300 -0.878 0.000 1.313 201 D CA -0.284 53.039 54.000 -1.129 0.000 0.815 201 D CB 0.853 41.396 40.800 -0.428 0.000 1.077 201 D HN 0.113 nan 8.370 nan 0.000 0.492 202 V N 1.430 120.852 119.914 -0.820 0.000 2.673 202 V HA -0.004 4.117 4.120 0.001 0.000 0.303 202 V C 0.690 176.571 176.094 -0.357 0.000 1.046 202 V CA 0.767 62.430 62.300 -1.062 0.000 1.126 202 V CB 0.802 32.203 31.823 -0.703 0.000 0.934 202 V HN 0.355 nan 8.190 nan 0.000 0.487 203 D N 3.108 123.336 120.400 -0.286 0.000 2.981 203 D HA -0.215 4.425 4.640 0.001 0.000 0.223 203 D C 0.133 176.452 176.300 0.032 0.000 1.151 203 D CA 1.214 55.278 54.000 0.107 0.000 0.827 203 D CB -1.555 39.398 40.800 0.255 0.000 1.101 203 D HN 0.881 nan 8.370 nan 0.000 0.426 204 H N 0.113 119.085 119.070 -0.162 0.000 2.929 204 H HA 0.149 4.705 4.556 0.001 0.000 0.317 204 H C -1.501 173.576 175.328 -0.420 0.000 1.031 204 H CA -0.343 55.648 56.048 -0.096 0.000 1.466 204 H CB 1.283 31.010 29.762 -0.058 0.000 1.482 204 H HN 0.127 nan 8.280 nan 0.000 0.561 205 P HA 0.084 nan 4.420 nan 0.000 0.249 205 P C 0.628 177.987 177.300 0.098 0.000 1.229 205 P CA 1.125 64.172 63.100 -0.088 0.000 0.788 205 P CB 0.551 32.236 31.700 -0.024 0.000 1.072 206 G N -0.236 108.776 108.800 0.354 0.000 2.141 206 G HA2 -0.149 3.811 3.960 0.001 0.000 0.242 206 G HA3 -0.149 3.811 3.960 0.001 0.000 0.242 206 G C -0.001 174.990 174.900 0.152 0.000 0.982 206 G CA 0.063 45.308 45.100 0.242 0.000 0.662 206 G HN 0.558 nan 8.290 nan 0.000 0.527 207 V N -1.930 118.058 119.914 0.123 0.000 2.962 207 V HA 0.952 5.072 4.120 0.001 0.000 0.313 207 V C 0.520 176.661 176.094 0.079 0.000 1.099 207 V CA -0.147 62.127 62.300 -0.042 0.000 0.971 207 V CB 1.557 33.155 31.823 -0.375 0.000 1.028 207 V HN 1.425 nan 8.190 nan 0.000 0.430 208 S N 1.865 117.618 115.700 0.087 0.000 2.624 208 S HA 0.276 4.747 4.470 0.001 0.000 0.263 208 S C 0.799 175.454 174.600 0.091 0.000 1.287 208 S CA -0.075 58.183 58.200 0.097 0.000 0.990 208 S CB 0.596 63.834 63.200 0.065 0.000 0.950 208 S HN 0.812 nan 8.310 nan 0.000 0.561 209 N N 0.797 119.525 118.700 0.046 0.000 2.104 209 N HA -0.154 4.586 4.740 0.001 0.000 0.190 209 N C 1.736 177.275 175.510 0.049 0.000 1.024 209 N CA 1.606 54.672 53.050 0.027 0.000 0.853 209 N CB -0.764 37.731 38.487 0.013 0.000 1.008 209 N HN 0.766 nan 8.380 nan 0.000 0.424 210 Q N 0.009 119.843 119.800 0.058 0.000 2.124 210 Q HA -0.029 4.311 4.340 0.001 0.000 0.202 210 Q C 1.845 177.885 176.000 0.066 0.000 0.977 210 Q CA 1.108 56.939 55.803 0.046 0.000 0.850 210 Q CB -0.538 28.219 28.738 0.032 0.000 0.901 210 Q HN 0.408 nan 8.270 nan 0.000 0.429 211 F N -0.224 119.711 119.950 -0.025 0.000 2.134 211 F HA -0.141 4.386 4.527 0.001 0.000 0.299 211 F C 1.519 177.309 175.800 -0.017 0.000 1.097 211 F CA 1.265 59.255 58.000 -0.017 0.000 1.264 211 F CB -0.114 38.881 39.000 -0.008 0.000 1.001 211 F HN 0.090 nan 8.300 nan 0.000 0.479 212 L N -0.133 121.182 121.223 0.154 0.000 2.083 212 L HA -0.233 4.107 4.340 0.001 0.000 0.209 212 L C 2.404 179.237 176.870 -0.061 0.000 1.083 212 L CA 1.333 56.198 54.840 0.042 0.000 0.752 212 L CB -0.619 41.474 42.059 0.057 0.000 0.899 212 L HN 0.214 nan 8.230 nan 0.000 0.433 213 I N -0.333 120.209 120.570 -0.046 0.000 2.233 213 I HA -0.230 3.940 4.170 0.001 0.000 0.243 213 I C 2.067 178.126 176.117 -0.096 0.000 1.093 213 I CA 0.936 62.204 61.300 -0.053 0.000 1.380 213 I CB -0.328 37.657 38.000 -0.024 0.000 1.067 213 I HN 0.289 nan 8.210 nan 0.000 0.413 214 N N 0.357 118.976 118.700 -0.134 0.000 2.309 214 N HA -0.121 4.620 4.740 0.001 0.000 0.182 214 N C 1.628 177.002 175.510 -0.226 0.000 1.018 214 N CA 1.799 54.752 53.050 -0.162 0.000 0.876 214 N CB -0.451 37.940 38.487 -0.161 0.000 0.972 214 N HN 0.448 nan 8.380 nan 0.000 0.434 215 T N -2.276 112.079 114.554 -0.331 0.000 3.122 215 T HA 0.134 4.484 4.350 0.001 0.000 0.250 215 T C 0.188 174.780 174.700 -0.179 0.000 1.067 215 T CA -0.457 61.448 62.100 -0.325 0.000 0.966 215 T CB -0.140 68.392 68.868 -0.559 0.000 1.002 215 T HN 0.037 nan 8.240 nan 0.000 0.542 216 N N 2.183 120.803 118.700 -0.132 0.000 2.727 216 N HA -0.166 4.575 4.740 0.001 0.000 0.249 216 N C 0.144 175.613 175.510 -0.068 0.000 1.048 216 N CA 1.055 54.056 53.050 -0.082 0.000 0.714 216 N CB -1.911 36.535 38.487 -0.068 0.000 0.959 216 N HN 0.901 nan 8.380 nan 0.000 0.544 217 S N -0.777 114.881 115.700 -0.070 0.000 2.580 217 S HA 0.140 4.611 4.470 0.001 0.000 0.266 217 S C 1.380 175.958 174.600 -0.038 0.000 1.354 217 S CA -0.435 57.740 58.200 -0.042 0.000 1.008 217 S CB 1.591 64.778 63.200 -0.021 0.000 0.898 217 S HN 0.116 nan 8.310 nan 0.000 0.555 218 E N 0.705 120.884 120.200 -0.035 0.000 2.110 218 E HA -0.089 4.261 4.350 0.001 0.000 0.193 218 E C 1.890 178.452 176.600 -0.063 0.000 0.988 218 E CA 1.007 57.379 56.400 -0.047 0.000 0.804 218 E CB -0.464 29.212 29.700 -0.041 0.000 0.745 218 E HN 0.690 nan 8.360 nan 0.000 0.458 219 L N 0.262 121.451 121.223 -0.056 0.000 2.027 219 L HA -0.152 4.188 4.340 0.001 0.000 0.206 219 L C 2.497 179.389 176.870 0.037 0.000 1.074 219 L CA 1.195 56.016 54.840 -0.031 0.000 0.745 219 L CB -0.418 41.596 42.059 -0.074 0.000 0.898 219 L HN 0.064 nan 8.230 nan 0.000 0.433 220 A N -0.300 122.526 122.820 0.011 0.000 1.969 220 A HA -0.129 4.191 4.320 0.001 0.000 0.218 220 A C 2.211 179.797 177.584 0.003 0.000 1.169 220 A CA 1.197 53.248 52.037 0.024 0.000 0.635 220 A CB -0.551 18.446 19.000 -0.005 0.000 0.810 220 A HN 0.358 nan 8.150 nan 0.000 0.445 221 L N -1.350 119.854 121.223 -0.033 0.000 2.093 221 L HA -0.139 4.201 4.340 0.001 0.000 0.208 221 L C 2.780 179.596 176.870 -0.090 0.000 1.085 221 L CA 1.605 56.415 54.840 -0.050 0.000 0.755 221 L CB -0.364 41.663 42.059 -0.054 0.000 0.904 221 L HN 0.557 nan 8.230 nan 0.000 0.435 222 M N -1.159 118.346 119.600 -0.158 0.000 2.117 222 M HA -0.238 4.243 4.480 0.001 0.000 0.262 222 M C 1.324 177.379 176.300 -0.409 0.000 1.065 222 M CA 1.942 57.037 55.300 -0.342 0.000 1.114 222 M CB 0.053 32.328 32.600 -0.542 0.000 1.361 222 M HN 0.128 nan 8.290 nan 0.000 0.408 223 Y N 0.741 121.032 120.300 -0.016 0.000 2.524 223 Y HA 0.259 4.809 4.550 0.000 0.000 0.266 223 Y C 0.331 176.225 175.900 -0.009 0.000 1.180 223 Y CA -0.579 57.516 58.100 -0.009 0.000 1.244 223 Y CB -0.257 38.194 38.460 -0.014 0.000 1.125 223 Y HN 0.358 nan 8.280 nan 0.000 0.524 224 N N 1.327 120.075 118.700 0.079 0.000 2.727 224 N HA -0.240 4.501 4.740 0.001 0.000 0.249 224 N C -0.635 174.907 175.510 0.054 0.000 1.048 224 N CA 1.351 54.431 53.050 0.049 0.000 0.714 224 N CB -1.132 37.381 38.487 0.043 0.000 0.959 224 N HN 0.471 nan 8.380 nan 0.000 0.544 225 D N -2.445 117.988 120.400 0.056 0.000 3.070 225 D HA -0.164 4.476 4.640 0.001 0.000 0.220 225 D C -0.694 175.629 176.300 0.037 0.000 1.176 225 D CA 1.578 55.601 54.000 0.037 0.000 0.924 225 D CB -1.438 39.373 40.800 0.017 0.000 1.124 225 D HN 0.500 nan 8.370 nan 0.000 0.411 226 S N -0.269 115.464 115.700 0.055 0.000 2.498 226 S HA 0.418 4.888 4.470 0.001 0.000 0.324 226 S C 0.336 174.940 174.600 0.006 0.000 1.071 226 S CA -0.468 57.753 58.200 0.035 0.000 1.113 226 S CB 1.943 65.171 63.200 0.046 0.000 0.976 226 S HN 0.161 nan 8.310 nan 0.000 0.462 227 S N 1.465 117.156 115.700 -0.015 0.000 3.477 227 S HA -0.136 4.334 4.470 0.001 0.000 0.371 227 S C 1.386 175.901 174.600 -0.141 0.000 0.965 227 S CA 0.354 58.520 58.200 -0.056 0.000 1.239 227 S CB -1.583 61.587 63.200 -0.052 0.000 0.918 227 S HN 0.632 nan 8.310 nan 0.000 0.498 228 V N 0.684 120.538 119.914 -0.099 0.000 2.233 228 V HA -0.260 3.861 4.120 0.001 0.000 0.247 228 V C 2.256 178.186 176.094 -0.274 0.000 1.050 228 V CA 2.529 64.761 62.300 -0.113 0.000 1.010 228 V CB -0.479 31.340 31.823 -0.008 0.000 0.637 228 V HN 0.690 nan 8.190 nan 0.000 0.444 229 L N -0.567 120.494 121.223 -0.269 0.000 2.056 229 L HA -0.183 4.158 4.340 0.001 0.000 0.207 229 L C 2.606 179.032 176.870 -0.740 0.000 1.078 229 L CA 1.506 56.049 54.840 -0.495 0.000 0.749 229 L CB -0.567 41.246 42.059 -0.411 0.000 0.901 229 L HN 0.327 nan 8.230 nan 0.000 0.433 230 E N -0.130 119.855 120.200 -0.359 0.000 2.106 230 E HA -0.167 4.184 4.350 0.001 0.000 0.192 230 E C 1.989 178.456 176.600 -0.222 0.000 0.984 230 E CA 0.814 57.120 56.400 -0.157 0.000 0.806 230 E CB -0.216 29.486 29.700 0.002 0.000 0.750 230 E HN 0.339 nan 8.360 nan 0.000 0.458 231 N N -0.025 118.446 118.700 -0.382 0.000 2.120 231 N HA -0.186 4.555 4.740 0.001 0.000 0.188 231 N C 1.797 177.042 175.510 -0.442 0.000 1.024 231 N CA 1.256 54.005 53.050 -0.502 0.000 0.852 231 N CB -0.246 37.615 38.487 -1.044 0.000 1.003 231 N HN 0.268 nan 8.380 nan 0.000 0.424 232 H N 0.762 119.465 119.070 -0.612 0.000 2.357 232 H HA -0.047 4.509 4.556 0.001 0.000 0.301 232 H C 1.821 177.067 175.328 -0.136 0.000 1.082 232 H CA 1.732 57.630 56.048 -0.251 0.000 1.342 232 H CB -0.103 29.533 29.762 -0.210 0.000 1.389 232 H HN 0.291 nan 8.280 nan 0.000 0.511 233 H N -0.038 118.932 119.070 -0.166 0.000 2.352 233 H HA -0.114 4.442 4.556 0.001 0.000 0.299 233 H C 2.624 177.826 175.328 -0.209 0.000 1.097 233 H CA 1.463 57.379 56.048 -0.220 0.000 1.311 233 H CB -0.595 29.084 29.762 -0.138 0.000 1.377 233 H HN 0.352 nan 8.280 nan 0.000 0.504 234 L N 0.158 121.369 121.223 -0.019 0.000 1.994 234 L HA -0.156 4.184 4.340 0.001 0.000 0.208 234 L C 2.890 179.813 176.870 0.088 0.000 1.071 234 L CA 1.114 55.945 54.840 -0.015 0.000 0.745 234 L CB -0.544 41.591 42.059 0.126 0.000 0.892 234 L HN 0.232 nan 8.230 nan 0.000 0.431 235 A N -0.534 122.348 122.820 0.104 0.000 1.908 235 A HA -0.175 4.145 4.320 0.001 0.000 0.218 235 A C 2.310 179.940 177.584 0.077 0.000 1.181 235 A CA 2.050 54.186 52.037 0.166 0.000 0.627 235 A CB -0.891 18.216 19.000 0.178 0.000 0.818 235 A HN 0.217 nan 8.150 nan 0.000 0.445 236 V N -0.194 119.655 119.914 -0.108 0.000 2.307 236 V HA -0.146 3.975 4.120 0.001 0.000 0.245 236 V C 2.855 178.903 176.094 -0.077 0.000 1.045 236 V CA 1.908 64.120 62.300 -0.147 0.000 1.024 236 V CB -1.521 30.123 31.823 -0.299 0.000 0.651 236 V HN 0.611 nan 8.190 nan 0.000 0.449 237 G N -0.637 108.099 108.800 -0.107 0.000 2.440 237 G HA2 -0.259 3.702 3.960 0.001 0.000 0.218 237 G HA3 -0.259 3.702 3.960 0.001 0.000 0.218 237 G C 1.443 176.424 174.900 0.135 0.000 1.154 237 G CA 0.979 46.029 45.100 -0.083 0.000 0.767 237 G HN 0.446 nan 8.290 nan 0.000 0.552 238 F N 0.877 120.959 119.950 0.220 0.000 2.187 238 F HA 0.156 4.683 4.527 0.001 0.000 0.295 238 F C 2.476 178.374 175.800 0.163 0.000 1.091 238 F CA 1.201 59.344 58.000 0.238 0.000 1.308 238 F CB -0.320 38.781 39.000 0.169 0.000 1.030 238 F HN 0.063 nan 8.300 nan 0.000 0.487 239 K N 1.032 121.604 120.400 0.286 0.000 2.103 239 K HA -0.123 4.198 4.320 0.001 0.000 0.207 239 K C 1.773 178.457 176.600 0.140 0.000 1.048 239 K CA 1.414 57.801 56.287 0.167 0.000 0.930 239 K CB -0.652 31.906 32.500 0.097 0.000 0.716 239 K HN 0.284 nan 8.250 nan 0.000 0.444 240 L N 0.428 121.735 121.223 0.140 0.000 2.362 240 L HA -0.078 4.262 4.340 0.001 0.000 0.219 240 L C 1.943 178.994 176.870 0.301 0.000 1.134 240 L CA 0.502 55.423 54.840 0.134 0.000 0.807 240 L CB -0.337 41.720 42.059 -0.004 0.000 0.927 240 L HN 0.167 nan 8.230 nan 0.000 0.447 241 L N -0.637 120.780 121.223 0.323 0.000 2.265 241 L HA -0.200 4.140 4.340 0.001 0.000 0.215 241 L C 2.237 179.174 176.870 0.113 0.000 1.117 241 L CA 1.015 55.950 54.840 0.160 0.000 0.782 241 L CB -0.357 41.760 42.059 0.097 0.000 0.914 241 L HN 0.376 nan 8.230 nan 0.000 0.441 242 Q N -0.652 119.220 119.800 0.120 0.000 2.451 242 Q HA 0.019 4.360 4.340 0.001 0.000 0.206 242 Q C 0.229 176.271 176.000 0.070 0.000 0.947 242 Q CA 0.049 55.901 55.803 0.082 0.000 0.937 242 Q CB 0.291 29.075 28.738 0.076 0.000 1.025 242 Q HN 0.401 nan 8.270 nan 0.000 0.511 243 E N 1.578 121.828 120.200 0.084 0.000 2.392 243 E HA 0.001 4.351 4.350 0.001 0.000 0.256 243 E C -0.382 176.253 176.600 0.059 0.000 1.145 243 E CA -0.055 56.386 56.400 0.068 0.000 0.929 243 E CB 0.479 30.221 29.700 0.070 0.000 0.998 243 E HN 0.160 nan 8.360 nan 0.000 0.442 244 E N 1.495 121.722 120.200 0.045 0.000 2.480 244 E HA -0.162 4.188 4.350 0.001 0.000 0.258 244 E C -0.064 176.558 176.600 0.036 0.000 0.984 244 E CA 0.185 56.606 56.400 0.035 0.000 0.930 244 E CB 0.018 29.735 29.700 0.028 0.000 0.936 244 E HN 0.416 nan 8.360 nan 0.000 0.466 245 N N 2.897 121.615 118.700 0.029 0.000 2.735 245 N HA -0.217 4.524 4.740 0.001 0.000 0.248 245 N C -0.798 174.734 175.510 0.036 0.000 1.083 245 N CA 0.939 54.003 53.050 0.024 0.000 0.703 245 N CB -1.444 37.053 38.487 0.017 0.000 1.005 245 N HN 0.476 nan 8.380 nan 0.000 0.550 246 C N -1.186 118.145 119.300 0.051 0.000 3.336 246 C HA 0.254 4.714 4.460 0.001 0.000 0.291 246 C C 0.616 175.596 174.990 -0.016 0.000 1.363 246 C CA -0.553 58.527 59.018 0.103 0.000 1.737 246 C CB -0.413 27.451 27.740 0.206 0.000 2.274 246 C HN 0.510 nan 8.230 nan 0.000 0.663 247 D N 2.084 122.452 120.400 -0.054 0.000 2.470 247 D HA 0.122 4.763 4.640 0.001 0.000 0.226 247 D C 1.320 177.484 176.300 -0.227 0.000 1.196 247 D CA -0.150 53.771 54.000 -0.132 0.000 0.979 247 D CB -0.089 40.688 40.800 -0.038 0.000 1.059 247 D HN 0.604 nan 8.370 nan 0.000 0.515 248 I N -0.944 119.329 120.570 -0.496 0.000 2.916 248 I HA -0.040 4.131 4.170 0.001 0.000 0.267 248 I C 0.412 176.219 176.117 -0.516 0.000 1.263 248 I CA 0.690 61.662 61.300 -0.546 0.000 1.471 248 I CB -0.305 37.252 38.000 -0.737 0.000 1.089 248 I HN 0.021 nan 8.210 nan 0.000 0.468 249 F N 2.101 121.959 119.950 -0.153 0.000 2.639 249 F HA 0.195 4.723 4.527 0.001 0.000 0.300 249 F C 2.305 178.066 175.800 -0.065 0.000 1.109 249 F CA -0.547 57.371 58.000 -0.137 0.000 1.335 249 F CB -0.685 38.187 39.000 -0.214 0.000 1.014 249 F HN 0.212 nan 8.300 nan 0.000 0.537 250 Q N -0.011 119.827 119.800 0.063 0.000 2.234 250 Q HA -0.198 4.143 4.340 0.001 0.000 0.206 250 Q C 0.692 176.733 176.000 0.068 0.000 0.980 250 Q CA 1.773 57.608 55.803 0.053 0.000 0.869 250 Q CB -0.382 28.369 28.738 0.023 0.000 0.912 250 Q HN 0.253 nan 8.270 nan 0.000 0.436 251 N N -0.014 118.741 118.700 0.092 0.000 2.230 251 N HA 0.171 4.912 4.740 0.001 0.000 0.202 251 N C -0.626 174.960 175.510 0.126 0.000 1.119 251 N CA -0.023 53.085 53.050 0.098 0.000 0.851 251 N CB 0.406 38.951 38.487 0.097 0.000 0.990 251 N HN 0.130 nan 8.380 nan 0.000 0.497 252 L N 1.108 122.414 121.223 0.138 0.000 2.436 252 L HA 0.145 4.486 4.340 0.001 0.000 0.265 252 L C 1.416 178.328 176.870 0.070 0.000 1.168 252 L CA -0.040 54.878 54.840 0.129 0.000 0.815 252 L CB 0.532 42.636 42.059 0.074 0.000 1.109 252 L HN 0.092 nan 8.230 nan 0.000 0.462 253 T N -1.327 113.262 114.554 0.059 0.000 2.813 253 T HA 0.170 4.521 4.350 0.001 0.000 0.297 253 T C 1.124 175.826 174.700 0.003 0.000 1.036 253 T CA -0.506 61.612 62.100 0.030 0.000 1.044 253 T CB 0.513 69.397 68.868 0.028 0.000 0.993 253 T HN 0.538 nan 8.240 nan 0.000 0.535 254 K N 0.344 120.740 120.400 -0.006 0.000 2.063 254 K HA -0.158 4.162 4.320 0.001 0.000 0.208 254 K C 2.360 178.937 176.600 -0.039 0.000 1.048 254 K CA 1.641 57.913 56.287 -0.024 0.000 0.928 254 K CB -0.211 32.277 32.500 -0.021 0.000 0.713 254 K HN 0.673 nan 8.250 nan 0.000 0.442 255 K N 1.412 121.794 120.400 -0.029 0.000 2.057 255 K HA -0.205 4.116 4.320 0.001 0.000 0.207 255 K C 2.108 178.679 176.600 -0.047 0.000 1.049 255 K CA 1.499 57.764 56.287 -0.037 0.000 0.931 255 K CB 0.095 32.582 32.500 -0.022 0.000 0.714 255 K HN 0.163 nan 8.250 nan 0.000 0.440 256 Q N -0.115 119.665 119.800 -0.033 0.000 2.079 256 Q HA -0.132 4.208 4.340 0.001 0.000 0.200 256 Q C 2.188 178.110 176.000 -0.130 0.000 0.974 256 Q CA 1.481 57.256 55.803 -0.047 0.000 0.840 256 Q CB 0.012 28.757 28.738 0.012 0.000 0.898 256 Q HN 0.276 nan 8.270 nan 0.000 0.430 257 R N 0.426 120.848 120.500 -0.131 0.000 2.096 257 R HA -0.172 4.169 4.340 0.001 0.000 0.235 257 R C 2.332 178.518 176.300 -0.189 0.000 1.127 257 R CA 1.456 57.437 56.100 -0.198 0.000 0.968 257 R CB -0.182 30.041 30.300 -0.129 0.000 0.861 257 R HN 0.314 nan 8.270 nan 0.000 0.440 258 Q N 0.219 119.939 119.800 -0.135 0.000 2.050 258 Q HA -0.166 4.175 4.340 0.001 0.000 0.202 258 Q C 2.125 178.049 176.000 -0.128 0.000 0.980 258 Q CA 1.925 57.652 55.803 -0.126 0.000 0.840 258 Q CB -0.067 28.612 28.738 -0.097 0.000 0.898 258 Q HN 0.216 nan 8.270 nan 0.000 0.424 259 S N 0.116 115.745 115.700 -0.119 0.000 2.356 259 S HA -0.151 4.319 4.470 0.001 0.000 0.223 259 S C 1.937 176.481 174.600 -0.093 0.000 1.032 259 S CA 1.186 59.321 58.200 -0.109 0.000 1.005 259 S CB -0.380 62.770 63.200 -0.083 0.000 0.867 259 S HN 0.513 nan 8.310 nan 0.000 0.449 260 L N 1.545 122.677 121.223 -0.151 0.000 2.046 260 L HA -0.050 4.291 4.340 0.001 0.000 0.208 260 L C 2.619 179.432 176.870 -0.095 0.000 1.077 260 L CA 1.943 56.669 54.840 -0.190 0.000 0.747 260 L CB -0.452 41.337 42.059 -0.449 0.000 0.896 260 L HN 0.312 nan 8.230 nan 0.000 0.432 261 R N 0.051 120.476 120.500 -0.124 0.000 2.083 261 R HA -0.264 4.076 4.340 0.001 0.000 0.237 261 R C 2.460 178.789 176.300 0.048 0.000 1.137 261 R CA 2.166 58.231 56.100 -0.057 0.000 0.951 261 R CB -0.296 29.838 30.300 -0.277 0.000 0.851 261 R HN 0.367 nan 8.270 nan 0.000 0.434 262 K N 0.117 120.514 120.400 -0.006 0.000 2.026 262 K HA -0.149 4.171 4.320 0.001 0.000 0.208 262 K C 2.151 178.832 176.600 0.135 0.000 1.048 262 K CA 1.913 58.224 56.287 0.039 0.000 0.929 262 K CB -0.065 32.418 32.500 -0.029 0.000 0.713 262 K HN 0.211 nan 8.250 nan 0.000 0.439 263 M N 0.285 119.973 119.600 0.146 0.000 2.117 263 M HA -0.163 4.317 4.480 0.001 0.000 0.262 263 M C 2.153 178.553 176.300 0.167 0.000 1.065 263 M CA 1.291 56.712 55.300 0.201 0.000 1.114 263 M CB -0.108 32.596 32.600 0.174 0.000 1.361 263 M HN 0.021 nan 8.290 nan 0.000 0.408 264 V N 0.713 120.745 119.914 0.196 0.000 2.343 264 V HA -0.262 3.858 4.120 0.001 0.000 0.247 264 V C 2.197 178.429 176.094 0.229 0.000 1.051 264 V CA 1.717 64.161 62.300 0.239 0.000 1.036 264 V CB -0.537 31.515 31.823 0.382 0.000 0.654 264 V HN 0.414 nan 8.190 nan 0.000 0.451 265 I N 0.123 120.863 120.570 0.283 0.000 2.179 265 I HA -0.248 3.922 4.170 0.001 0.000 0.242 265 I C 2.298 178.502 176.117 0.145 0.000 1.088 265 I CA 1.699 63.138 61.300 0.231 0.000 1.357 265 I CB -0.505 37.621 38.000 0.210 0.000 1.051 265 I HN 0.308 nan 8.210 nan 0.000 0.409 266 D N 0.802 121.285 120.400 0.138 0.000 2.149 266 D HA -0.146 4.494 4.640 0.001 0.000 0.198 266 D C 2.211 178.552 176.300 0.068 0.000 0.990 266 D CA 1.385 55.447 54.000 0.103 0.000 0.839 266 D CB -0.137 40.741 40.800 0.130 0.000 0.948 266 D HN 0.360 nan 8.370 nan 0.000 0.460 267 I N 0.059 120.672 120.570 0.073 0.000 2.233 267 I HA -0.184 3.986 4.170 0.001 0.000 0.243 267 I C 2.346 178.494 176.117 0.051 0.000 1.093 267 I CA 0.495 61.820 61.300 0.041 0.000 1.380 267 I CB -0.051 37.969 38.000 0.032 0.000 1.067 267 I HN -0.131 nan 8.210 nan 0.000 0.413 268 V N 1.076 121.037 119.914 0.078 0.000 2.427 268 V HA -0.238 3.883 4.120 0.001 0.000 0.248 268 V C 2.343 178.494 176.094 0.095 0.000 1.051 268 V CA 1.469 63.830 62.300 0.102 0.000 1.048 268 V CB -0.488 31.397 31.823 0.104 0.000 0.666 268 V HN 0.374 nan 8.190 nan 0.000 0.456 269 L N 0.248 121.513 121.223 0.070 0.000 2.191 269 L HA -0.107 4.233 4.340 0.001 0.000 0.212 269 L C 2.535 179.422 176.870 0.028 0.000 1.103 269 L CA 1.310 56.177 54.840 0.045 0.000 0.769 269 L CB -0.636 41.446 42.059 0.038 0.000 0.908 269 L HN 0.375 nan 8.230 nan 0.000 0.438 270 A N -0.316 122.514 122.820 0.016 0.000 2.209 270 A HA -0.113 4.208 4.320 0.001 0.000 0.212 270 A C 2.194 179.742 177.584 -0.061 0.000 1.158 270 A CA 1.456 53.471 52.037 -0.037 0.000 0.742 270 A CB -0.682 18.289 19.000 -0.048 0.000 0.790 270 A HN 0.503 nan 8.150 nan 0.000 0.472 271 T N -2.478 112.103 114.554 0.044 0.000 3.148 271 T HA 0.013 4.363 4.350 0.001 0.000 0.253 271 T C 0.499 175.291 174.700 0.153 0.000 1.134 271 T CA 0.354 62.536 62.100 0.137 0.000 1.051 271 T CB -0.405 68.612 68.868 0.247 0.000 0.959 271 T HN 0.307 nan 8.240 nan 0.000 0.525 272 D N 1.437 121.890 120.400 0.087 0.000 2.382 272 D HA 0.033 4.674 4.640 0.001 0.000 0.259 272 D C 1.196 177.547 176.300 0.085 0.000 1.224 272 D CA -0.312 53.739 54.000 0.085 0.000 0.894 272 D CB 0.664 41.490 40.800 0.043 0.000 1.127 272 D HN -0.021 nan 8.370 nan 0.000 0.487 273 M N 2.678 122.361 119.600 0.138 0.000 2.358 273 M HA -0.154 4.327 4.480 0.001 0.000 0.264 273 M C 1.990 178.378 176.300 0.146 0.000 1.064 273 M CA 0.820 56.224 55.300 0.173 0.000 1.093 273 M CB -1.173 31.535 32.600 0.180 0.000 1.401 273 M HN 0.538 nan 8.290 nan 0.000 0.440 274 S N -0.260 115.498 115.700 0.097 0.000 2.474 274 S HA -0.087 4.384 4.470 0.001 0.000 0.235 274 S C 1.568 176.209 174.600 0.069 0.000 0.997 274 S CA 0.719 58.967 58.200 0.080 0.000 0.949 274 S CB -0.294 62.937 63.200 0.053 0.000 0.766 274 S HN 0.523 nan 8.310 nan 0.000 0.517 275 K N -0.170 120.259 120.400 0.049 0.000 2.374 275 K HA 0.138 4.458 4.320 0.001 0.000 0.196 275 K C 1.553 178.144 176.600 -0.015 0.000 1.023 275 K CA 0.389 56.679 56.287 0.004 0.000 1.103 275 K CB -0.109 32.372 32.500 -0.032 0.000 0.848 275 K HN 0.561 nan 8.250 nan 0.000 0.528 276 H N 1.618 120.665 119.070 -0.040 0.000 2.319 276 H HA -0.105 4.451 4.556 0.001 0.000 0.297 276 H C 1.931 177.284 175.328 0.042 0.000 1.097 276 H CA 1.895 57.941 56.048 -0.003 0.000 1.285 276 H CB 0.173 30.037 29.762 0.169 0.000 1.368 276 H HN -0.046 nan 8.280 nan 0.000 0.495 277 M N 0.409 119.961 119.600 -0.079 0.000 2.117 277 M HA -0.146 4.334 4.480 0.001 0.000 0.262 277 M C 1.792 178.020 176.300 -0.119 0.000 1.065 277 M CA 1.162 56.389 55.300 -0.121 0.000 1.114 277 M CB -0.852 31.770 32.600 0.035 0.000 1.361 277 M HN 0.395 nan 8.290 nan 0.000 0.408 278 N N 0.511 119.167 118.700 -0.073 0.000 2.188 278 N HA -0.093 4.648 4.740 0.001 0.000 0.184 278 N C 1.737 177.198 175.510 -0.081 0.000 1.018 278 N CA 0.825 53.840 53.050 -0.058 0.000 0.858 278 N CB -0.475 37.992 38.487 -0.032 0.000 0.989 278 N HN 0.184 nan 8.380 nan 0.000 0.426 279 L N 0.705 121.858 121.223 -0.117 0.000 2.046 279 L HA -0.048 4.293 4.340 0.001 0.000 0.208 279 L C 2.012 178.820 176.870 -0.103 0.000 1.077 279 L CA 1.111 55.883 54.840 -0.113 0.000 0.747 279 L CB -0.722 41.238 42.059 -0.165 0.000 0.896 279 L HN 0.106 nan 8.230 nan 0.000 0.432 280 L N -0.498 120.618 121.223 -0.179 0.000 2.056 280 L HA -0.058 4.282 4.340 0.001 0.000 0.207 280 L C 2.489 179.311 176.870 -0.080 0.000 1.078 280 L CA 2.006 56.759 54.840 -0.145 0.000 0.749 280 L CB -1.112 40.784 42.059 -0.272 0.000 0.901 280 L HN 0.249 nan 8.230 nan 0.000 0.433 281 A N -0.753 122.020 122.820 -0.078 0.000 1.908 281 A HA -0.229 4.092 4.320 0.001 0.000 0.218 281 A C 1.989 179.553 177.584 -0.033 0.000 1.181 281 A CA 1.984 53.996 52.037 -0.043 0.000 0.627 281 A CB -0.822 18.158 19.000 -0.034 0.000 0.818 281 A HN 0.529 nan 8.150 nan 0.000 0.445 282 D N -0.714 119.664 120.400 -0.036 0.000 2.178 282 D HA -0.079 4.561 4.640 0.001 0.000 0.202 282 D C 1.789 178.076 176.300 -0.022 0.000 0.974 282 D CA 0.905 54.889 54.000 -0.027 0.000 0.841 282 D CB -0.294 40.490 40.800 -0.027 0.000 0.953 282 D HN 0.349 nan 8.370 nan 0.000 0.478 283 L N 1.165 122.377 121.223 -0.018 0.000 2.056 283 L HA -0.100 4.240 4.340 0.001 0.000 0.207 283 L C 1.863 178.720 176.870 -0.021 0.000 1.078 283 L CA 1.705 56.542 54.840 -0.005 0.000 0.749 283 L CB -0.210 41.864 42.059 0.024 0.000 0.901 283 L HN -0.166 nan 8.230 nan 0.000 0.433 284 K N -1.366 119.020 120.400 -0.023 0.000 2.097 284 K HA -0.123 4.197 4.320 0.001 0.000 0.206 284 K C 1.892 178.475 176.600 -0.029 0.000 1.049 284 K CA 1.788 58.059 56.287 -0.026 0.000 0.933 284 K CB -0.329 32.159 32.500 -0.020 0.000 0.717 284 K HN 0.359 nan 8.250 nan 0.000 0.442 285 T N 1.426 115.964 114.554 -0.026 0.000 2.788 285 T HA -0.097 4.253 4.350 0.001 0.000 0.268 285 T C 1.808 176.489 174.700 -0.031 0.000 1.044 285 T CA 1.161 63.247 62.100 -0.025 0.000 1.139 285 T CB -0.053 68.803 68.868 -0.020 0.000 0.867 285 T HN 0.177 nan 8.240 nan 0.000 0.454 286 M N 0.432 120.012 119.600 -0.034 0.000 2.175 286 M HA -0.064 4.416 4.480 0.001 0.000 0.264 286 M C 2.407 178.672 176.300 -0.058 0.000 1.063 286 M CA 1.146 56.420 55.300 -0.043 0.000 1.119 286 M CB -0.454 32.120 32.600 -0.042 0.000 1.377 286 M HN 0.114 nan 8.290 nan 0.000 0.415 287 V N 0.111 119.987 119.914 -0.062 0.000 2.358 287 V HA -0.207 3.913 4.120 0.001 0.000 0.246 287 V C 2.261 178.320 176.094 -0.058 0.000 1.047 287 V CA 1.583 63.838 62.300 -0.074 0.000 1.035 287 V CB -0.592 31.186 31.823 -0.076 0.000 0.658 287 V HN 0.408 nan 8.190 nan 0.000 0.452 288 E N 0.430 120.603 120.200 -0.045 0.000 2.268 288 E HA -0.115 4.235 4.350 0.001 0.000 0.195 288 E C 1.988 178.568 176.600 -0.034 0.000 0.995 288 E CA 1.617 57.995 56.400 -0.037 0.000 0.836 288 E CB -0.077 29.606 29.700 -0.029 0.000 0.763 288 E HN 0.789 nan 8.360 nan 0.000 0.491 289 T N -2.020 112.512 114.554 -0.037 0.000 3.174 289 T HA 0.196 4.546 4.350 0.001 0.000 0.269 289 T C 0.539 175.215 174.700 -0.041 0.000 1.017 289 T CA -0.486 61.593 62.100 -0.034 0.000 0.899 289 T CB 0.272 69.122 68.868 -0.029 0.000 1.077 289 T HN -0.146 nan 8.240 nan 0.000 0.552 290 K N 2.017 122.387 120.400 -0.050 0.000 2.489 290 K HA 0.128 4.448 4.320 0.001 0.000 0.278 290 K C -0.467 176.101 176.600 -0.053 0.000 1.000 290 K CA 0.307 56.558 56.287 -0.060 0.000 1.012 290 K CB 0.379 32.836 32.500 -0.071 0.000 0.903 290 K HN 0.273 nan 8.250 nan 0.000 0.485 291 K N 2.744 123.110 120.400 -0.057 0.000 2.375 291 K HA 0.379 4.699 4.320 0.001 0.000 0.249 291 K C -0.842 175.722 176.600 -0.061 0.000 0.942 291 K CA -1.046 55.210 56.287 -0.052 0.000 0.806 291 K CB 2.049 34.522 32.500 -0.046 0.000 1.227 291 K HN 0.471 nan 8.250 nan 0.000 0.430 298 L N 1.693 122.845 121.223 -0.118 0.000 2.439 298 L HA 0.481 4.821 4.340 0.001 0.000 0.269 298 L C -0.258 176.531 176.870 -0.136 0.000 1.179 298 L CA -0.309 54.453 54.840 -0.130 0.000 0.828 298 L CB 0.994 42.959 42.059 -0.157 0.000 1.106 298 L HN 0.669 nan 8.230 nan 0.000 0.467 299 L N 4.790 125.946 121.223 -0.113 0.000 2.276 299 L HA 0.464 4.805 4.340 0.001 0.000 0.286 299 L C -0.796 176.012 176.870 -0.102 0.000 1.024 299 L CA 0.118 54.896 54.840 -0.103 0.000 0.826 299 L CB 0.746 42.761 42.059 -0.074 0.000 1.211 299 L HN 0.369 nan 8.230 nan 0.000 0.422 300 L N 5.478 126.628 121.223 -0.122 0.000 2.377 300 L HA 0.414 4.754 4.340 0.001 0.000 0.270 300 L C 0.518 177.346 176.870 -0.070 0.000 0.991 300 L CA -0.366 54.414 54.840 -0.100 0.000 0.851 300 L CB 1.596 43.572 42.059 -0.138 0.000 1.218 300 L HN 0.596 nan 8.230 nan 0.000 0.420 301 D N 2.189 122.568 120.400 -0.037 0.000 2.290 301 D HA -0.054 4.586 4.640 0.001 0.000 0.224 301 D C 0.445 176.756 176.300 0.018 0.000 0.967 301 D CA 0.597 54.589 54.000 -0.013 0.000 0.893 301 D CB 0.547 41.340 40.800 -0.011 0.000 1.037 301 D HN 0.736 nan 8.370 nan 0.000 0.477 302 N N -1.300 117.416 118.700 0.027 0.000 2.463 302 N HA -0.030 4.710 4.740 0.001 0.000 0.270 302 N C 0.701 176.273 175.510 0.103 0.000 1.205 302 N CA -0.590 52.501 53.050 0.067 0.000 0.974 302 N CB 0.346 38.867 38.487 0.056 0.000 1.197 302 N HN -0.029 nan 8.380 nan 0.000 0.504 303 Y N 0.521 120.837 120.300 0.028 0.000 2.224 303 Y HA -0.170 4.380 4.550 0.000 0.000 0.289 303 Y C 2.495 178.423 175.900 0.047 0.000 1.146 303 Y CA 1.717 59.842 58.100 0.042 0.000 1.182 303 Y CB -0.532 37.948 38.460 0.034 0.000 0.983 303 Y HN 0.720 nan 8.280 nan 0.000 0.524 304 S N -0.263 115.432 115.700 -0.009 0.000 2.368 304 S HA -0.190 4.280 4.470 0.001 0.000 0.225 304 S C 1.696 176.230 174.600 -0.111 0.000 1.030 304 S CA 1.848 59.996 58.200 -0.086 0.000 0.999 304 S CB -0.424 62.780 63.200 0.006 0.000 0.844 304 S HN 0.595 nan 8.310 nan 0.000 0.459 305 D N 0.688 121.053 120.400 -0.058 0.000 2.123 305 D HA 0.007 4.647 4.640 0.001 0.000 0.200 305 D C 2.332 178.619 176.300 -0.020 0.000 0.976 305 D CA 0.892 54.869 54.000 -0.037 0.000 0.831 305 D CB -0.272 40.512 40.800 -0.027 0.000 0.974 305 D HN 0.400 nan 8.370 nan 0.000 0.469 306 R N 0.117 120.607 120.500 -0.016 0.000 2.073 306 R HA -0.083 4.257 4.340 0.001 0.000 0.234 306 R C 2.282 178.624 176.300 0.070 0.000 1.134 306 R CA 0.716 56.886 56.100 0.117 0.000 0.952 306 R CB -0.400 29.989 30.300 0.148 0.000 0.850 306 R HN 0.123 nan 8.270 nan 0.000 0.433 307 I N 1.439 121.868 120.570 -0.234 0.000 2.315 307 I HA -0.231 3.939 4.170 0.001 0.000 0.248 307 I C 2.023 178.059 176.117 -0.135 0.000 1.117 307 I CA 1.549 62.669 61.300 -0.300 0.000 1.404 307 I CB -0.161 37.392 38.000 -0.746 0.000 1.071 307 I HN 0.161 nan 8.210 nan 0.000 0.419 308 Q N -0.703 119.037 119.800 -0.100 0.000 2.084 308 Q HA -0.163 4.178 4.340 0.001 0.000 0.202 308 Q C 2.286 178.310 176.000 0.040 0.000 0.978 308 Q CA 1.897 57.680 55.803 -0.033 0.000 0.844 308 Q CB -0.126 28.595 28.738 -0.029 0.000 0.898 308 Q HN 0.417 nan 8.270 nan 0.000 0.426 309 V N 0.944 120.917 119.914 0.099 0.000 2.358 309 V HA -0.246 3.875 4.120 0.001 0.000 0.246 309 V C 2.132 178.347 176.094 0.201 0.000 1.047 309 V CA 1.437 63.872 62.300 0.224 0.000 1.035 309 V CB -0.424 31.587 31.823 0.315 0.000 0.658 309 V HN 0.347 nan 8.190 nan 0.000 0.452 310 L N -0.684 120.574 121.223 0.058 0.000 2.093 310 L HA -0.211 4.129 4.340 0.001 0.000 0.208 310 L C 2.659 179.493 176.870 -0.060 0.000 1.085 310 L CA 1.500 56.285 54.840 -0.093 0.000 0.755 310 L CB -0.577 41.364 42.059 -0.197 0.000 0.904 310 L HN 0.362 nan 8.230 nan 0.000 0.435 311 Q N -0.219 119.563 119.800 -0.030 0.000 2.050 311 Q HA -0.185 4.155 4.340 0.001 0.000 0.202 311 Q C 2.056 178.048 176.000 -0.013 0.000 0.980 311 Q CA 1.425 57.212 55.803 -0.027 0.000 0.840 311 Q CB -0.121 28.599 28.738 -0.030 0.000 0.898 311 Q HN 0.494 nan 8.270 nan 0.000 0.424 312 N N 0.312 119.024 118.700 0.020 0.000 2.244 312 N HA -0.132 4.608 4.740 0.001 0.000 0.183 312 N C 1.726 177.125 175.510 -0.184 0.000 1.016 312 N CA 0.911 53.978 53.050 0.028 0.000 0.866 312 N CB -0.090 38.482 38.487 0.141 0.000 0.980 312 N HN 0.293 nan 8.380 nan 0.000 0.430 313 M N 0.759 120.217 119.600 -0.237 0.000 2.086 313 M HA -0.125 4.355 4.480 0.001 0.000 0.261 313 M C 1.786 177.845 176.300 -0.401 0.000 1.067 313 M CA 1.401 56.355 55.300 -0.577 0.000 1.116 313 M CB 0.047 32.481 32.600 -0.276 0.000 1.348 313 M HN -0.147 nan 8.290 nan 0.000 0.407 314 V N -0.198 119.588 119.914 -0.213 0.000 2.515 314 V HA -0.258 3.862 4.120 0.001 0.000 0.250 314 V C 2.344 178.359 176.094 -0.132 0.000 1.058 314 V CA 2.144 64.341 62.300 -0.173 0.000 1.064 314 V CB -1.276 30.468 31.823 -0.131 0.000 0.675 314 V HN 0.599 nan 8.190 nan 0.000 0.461 315 H N -0.325 118.632 119.070 -0.189 0.000 2.353 315 H HA -0.171 4.385 4.556 0.001 0.000 0.300 315 H C 2.254 177.482 175.328 -0.167 0.000 1.090 315 H CA 2.126 58.102 56.048 -0.121 0.000 1.327 315 H CB -0.600 29.121 29.762 -0.068 0.000 1.383 315 H HN 0.399 nan 8.280 nan 0.000 0.508 316 C N 0.334 119.379 119.300 -0.424 0.000 2.429 316 C HA -0.024 4.436 4.460 0.001 0.000 0.277 316 C C 3.114 178.024 174.990 -0.133 0.000 1.262 316 C CA 1.047 59.675 59.018 -0.649 0.000 1.733 316 C CB -1.349 25.552 27.740 -1.397 0.000 2.010 316 C HN 0.777 nan 8.230 nan 0.000 0.483 317 A N 0.235 122.976 122.820 -0.132 0.000 1.902 317 A HA -0.236 4.085 4.320 0.001 0.000 0.217 317 A C 1.858 179.399 177.584 -0.071 0.000 1.181 317 A CA 2.307 54.336 52.037 -0.015 0.000 0.623 317 A CB -0.715 18.219 19.000 -0.109 0.000 0.818 317 A HN 0.559 nan 8.150 nan 0.000 0.443 318 D N -0.350 119.987 120.400 -0.105 0.000 2.144 318 D HA -0.068 4.572 4.640 0.001 0.000 0.199 318 D C 1.126 177.481 176.300 0.093 0.000 0.984 318 D CA 0.916 54.913 54.000 -0.004 0.000 0.834 318 D CB -0.113 40.719 40.800 0.053 0.000 0.955 318 D HN 0.387 nan 8.370 nan 0.000 0.465 319 L N 0.335 121.580 121.223 0.036 0.000 2.912 319 L HA 0.196 4.537 4.340 0.001 0.000 0.240 319 L C 1.301 178.306 176.870 0.224 0.000 1.262 319 L CA -0.061 54.838 54.840 0.099 0.000 1.058 319 L CB 0.209 42.228 42.059 -0.067 0.000 1.383 319 L HN 0.017 nan 8.230 nan 0.000 0.512 320 S N -3.202 112.596 115.700 0.162 0.000 2.535 320 S HA -0.004 4.466 4.470 0.001 0.000 0.214 320 S C 1.227 175.758 174.600 -0.114 0.000 0.980 320 S CA -0.110 58.172 58.200 0.135 0.000 0.907 320 S CB -0.229 63.082 63.200 0.184 0.000 0.790 320 S HN 0.508 nan 8.310 nan 0.000 0.510 321 N N 3.105 121.723 118.700 -0.137 0.000 2.061 321 N HA -0.069 4.671 4.740 0.001 0.000 0.193 321 N C -1.322 174.016 175.510 -0.287 0.000 1.030 321 N CA 1.562 54.533 53.050 -0.130 0.000 0.856 321 N CB -1.005 37.499 38.487 0.029 0.000 1.023 321 N HN 0.421 nan 8.380 nan 0.000 0.424 322 P HA -0.075 nan 4.420 nan 0.000 0.230 322 P C 0.954 177.898 177.300 -0.593 0.000 1.158 322 P CA 1.175 63.554 63.100 -1.201 0.000 0.769 322 P CB -0.065 31.197 31.700 -0.731 0.000 0.807 323 T N -5.186 109.141 114.554 -0.379 0.000 3.086 323 T HA 0.144 4.495 4.350 0.001 0.000 0.250 323 T C 0.844 175.558 174.700 0.023 0.000 1.074 323 T CA -0.087 61.863 62.100 -0.250 0.000 0.988 323 T CB -0.251 68.308 68.868 -0.515 0.000 0.988 323 T HN -0.161 nan 8.240 nan 0.000 0.530 324 K N 2.207 122.594 120.400 -0.021 0.000 2.090 324 K HA 0.448 4.769 4.320 0.001 0.000 0.250 324 K C -2.750 173.907 176.600 0.095 0.000 1.004 324 K CA -2.748 53.554 56.287 0.026 0.000 0.919 324 K CB 0.319 32.815 32.500 -0.007 0.000 1.045 324 K HN 0.053 nan 8.250 nan 0.000 0.471 325 P HA -0.101 nan 4.420 nan 0.000 0.264 325 P C 0.927 178.278 177.300 0.086 0.000 1.179 325 P CA 0.003 63.152 63.100 0.080 0.000 0.763 325 P CB 0.375 32.121 31.700 0.076 0.000 0.806 326 L N 3.412 124.644 121.223 0.014 0.000 2.081 326 L HA -0.251 4.090 4.340 0.001 0.000 0.212 326 L C 2.276 179.091 176.870 -0.092 0.000 1.080 326 L CA 1.912 56.715 54.840 -0.061 0.000 0.754 326 L CB -1.155 40.704 42.059 -0.333 0.000 0.893 326 L HN 0.448 nan 8.230 nan 0.000 0.433 327 Q N -0.498 119.245 119.800 -0.095 0.000 2.170 327 Q HA -0.213 4.127 4.340 0.001 0.000 0.203 327 Q C 2.118 178.083 176.000 -0.060 0.000 0.976 327 Q CA 2.140 57.875 55.803 -0.113 0.000 0.858 327 Q CB -0.857 27.816 28.738 -0.108 0.000 0.907 327 Q HN 0.606 nan 8.270 nan 0.000 0.433 328 L N -0.360 120.900 121.223 0.061 0.000 2.044 328 L HA -0.120 4.220 4.340 0.001 0.000 0.205 328 L C 2.688 179.734 176.870 0.293 0.000 1.075 328 L CA 1.288 56.228 54.840 0.167 0.000 0.747 328 L CB -0.793 41.426 42.059 0.266 0.000 0.903 328 L HN 0.119 nan 8.230 nan 0.000 0.435 329 Y N 1.492 121.917 120.300 0.210 0.000 2.128 329 Y HA -0.260 4.290 4.550 0.001 0.000 0.284 329 Y C 2.700 178.743 175.900 0.238 0.000 1.154 329 Y CA 1.473 59.755 58.100 0.302 0.000 1.149 329 Y CB -0.465 38.129 38.460 0.223 0.000 0.976 329 Y HN 0.037 nan 8.280 nan 0.000 0.505 330 R N -0.452 120.054 120.500 0.010 0.000 2.096 330 R HA -0.218 4.123 4.340 0.001 0.000 0.235 330 R C 2.266 178.508 176.300 -0.097 0.000 1.127 330 R CA 1.563 57.597 56.100 -0.110 0.000 0.968 330 R CB -0.349 29.832 30.300 -0.198 0.000 0.861 330 R HN 0.338 nan 8.270 nan 0.000 0.440 331 Q N 0.102 119.784 119.800 -0.195 0.000 2.079 331 Q HA -0.162 4.178 4.340 0.001 0.000 0.200 331 Q C 1.575 177.418 176.000 -0.262 0.000 0.974 331 Q CA 1.716 57.265 55.803 -0.424 0.000 0.840 331 Q CB -0.305 27.878 28.738 -0.924 0.000 0.898 331 Q HN 0.374 nan 8.270 nan 0.000 0.430 332 W N -0.101 121.262 121.300 0.105 0.000 2.358 332 W HA -0.145 4.515 4.660 0.001 0.000 0.303 332 W C 2.236 178.827 176.519 0.119 0.000 1.208 332 W CA 1.369 58.852 57.345 0.230 0.000 1.274 332 W CB -0.426 29.252 29.460 0.364 0.000 1.138 332 W HN 0.110 nan 8.180 nan 0.000 0.515 333 T N -0.032 114.671 114.554 0.249 0.000 2.777 333 T HA -0.193 4.157 4.350 0.001 0.000 0.266 333 T C 1.065 175.725 174.700 -0.067 0.000 1.040 333 T CA 1.720 63.840 62.100 0.033 0.000 1.141 333 T CB -0.528 68.319 68.868 -0.035 0.000 0.868 333 T HN 0.031 nan 8.240 nan 0.000 0.444 334 D N 0.998 121.363 120.400 -0.058 0.000 2.123 334 D HA -0.064 4.576 4.640 0.001 0.000 0.196 334 D C 2.374 178.601 176.300 -0.122 0.000 0.992 334 D CA 1.052 54.992 54.000 -0.101 0.000 0.833 334 D CB -0.211 40.517 40.800 -0.120 0.000 0.954 334 D HN 0.335 nan 8.370 nan 0.000 0.455 335 R N -0.242 120.221 120.500 -0.063 0.000 2.062 335 R HA -0.026 4.314 4.340 0.001 0.000 0.229 335 R C 2.331 178.571 176.300 -0.100 0.000 1.128 335 R CA 0.459 56.549 56.100 -0.016 0.000 0.960 335 R CB -0.321 30.055 30.300 0.126 0.000 0.855 335 R HN 0.117 nan 8.270 nan 0.000 0.432 336 I N 0.590 121.035 120.570 -0.208 0.000 2.315 336 I HA -0.230 3.940 4.170 0.001 0.000 0.248 336 I C 1.823 177.423 176.117 -0.861 0.000 1.117 336 I CA 1.432 62.290 61.300 -0.737 0.000 1.404 336 I CB 0.031 37.342 38.000 -1.149 0.000 1.071 336 I HN 0.123 nan 8.210 nan 0.000 0.419 337 M N -0.313 118.911 119.600 -0.627 0.000 2.132 337 M HA -0.169 4.311 4.480 0.001 0.000 0.263 337 M C 2.233 178.061 176.300 -0.787 0.000 1.065 337 M CA 1.526 56.355 55.300 -0.786 0.000 1.122 337 M CB -1.472 30.714 32.600 -0.690 0.000 1.365 337 M HN 0.279 nan 8.290 nan 0.000 0.411 338 E N 0.848 120.812 120.200 -0.393 0.000 2.058 338 E HA -0.222 4.129 4.350 0.001 0.000 0.194 338 E C 1.899 178.450 176.600 -0.082 0.000 0.997 338 E CA 1.984 58.294 56.400 -0.149 0.000 0.801 338 E CB -0.230 29.430 29.700 -0.068 0.000 0.746 338 E HN 0.564 nan 8.360 nan 0.000 0.450 339 E N -1.292 118.831 120.200 -0.129 0.000 2.051 339 E HA -0.174 4.176 4.350 0.001 0.000 0.192 339 E C 1.774 178.430 176.600 0.093 0.000 0.991 339 E CA 1.185 57.568 56.400 -0.027 0.000 0.799 339 E CB -0.217 29.449 29.700 -0.056 0.000 0.748 339 E HN 0.291 nan 8.360 nan 0.000 0.449 340 F N 0.126 119.978 119.950 -0.163 0.000 2.134 340 F HA -0.157 4.370 4.527 0.001 0.000 0.299 340 F C 2.135 177.950 175.800 0.025 0.000 1.097 340 F CA 0.797 58.721 58.000 -0.128 0.000 1.264 340 F CB -0.977 37.888 39.000 -0.226 0.000 1.001 340 F HN 0.119 nan 8.300 nan 0.000 0.479 341 F N 0.461 120.489 119.950 0.130 0.000 2.171 341 F HA -0.133 4.394 4.527 0.001 0.000 0.300 341 F C 2.426 178.231 175.800 0.008 0.000 1.090 341 F CA 0.845 58.866 58.000 0.035 0.000 1.293 341 F CB -1.311 37.685 39.000 -0.006 0.000 1.013 341 F HN -0.033 nan 8.300 nan 0.000 0.486 342 R N -0.110 120.507 120.500 0.194 0.000 2.092 342 R HA -0.182 4.159 4.340 0.001 0.000 0.231 342 R C 2.176 178.492 176.300 0.028 0.000 1.119 342 R CA 1.285 57.440 56.100 0.092 0.000 0.970 342 R CB -0.518 29.821 30.300 0.064 0.000 0.864 342 R HN 0.392 nan 8.270 nan 0.000 0.440 343 Q N 0.163 119.963 119.800 0.001 0.000 2.079 343 Q HA -0.115 4.225 4.340 0.001 0.000 0.200 343 Q C 2.014 177.989 176.000 -0.042 0.000 0.974 343 Q CA 1.757 57.468 55.803 -0.154 0.000 0.840 343 Q CB -0.213 28.412 28.738 -0.189 0.000 0.898 343 Q HN 0.393 nan 8.270 nan 0.000 0.430 344 G N 0.447 109.281 108.800 0.056 0.000 2.432 344 G HA2 -0.258 3.702 3.960 0.001 0.000 0.219 344 G HA3 -0.258 3.702 3.960 0.001 0.000 0.219 344 G C 0.894 175.839 174.900 0.076 0.000 1.135 344 G CA 1.018 46.167 45.100 0.082 0.000 0.767 344 G HN 0.380 nan 8.290 nan 0.000 0.550 345 D N 0.340 120.779 120.400 0.065 0.000 2.144 345 D HA -0.024 4.617 4.640 0.001 0.000 0.200 345 D C 2.702 179.048 176.300 0.077 0.000 0.978 345 D CA 0.544 54.580 54.000 0.059 0.000 0.833 345 D CB -0.166 40.663 40.800 0.048 0.000 0.961 345 D HN 0.260 nan 8.370 nan 0.000 0.470 346 R N 0.527 121.075 120.500 0.081 0.000 2.075 346 R HA -0.038 4.302 4.340 0.001 0.000 0.232 346 R C 2.177 178.606 176.300 0.216 0.000 1.126 346 R CA 0.891 57.075 56.100 0.141 0.000 0.963 346 R CB -0.072 30.305 30.300 0.128 0.000 0.858 346 R HN 0.294 nan 8.270 nan 0.000 0.435 347 E N 0.179 120.521 120.200 0.237 0.000 2.077 347 E HA -0.192 4.158 4.350 0.001 0.000 0.193 347 E C 2.074 178.746 176.600 0.120 0.000 0.989 347 E CA 0.837 57.368 56.400 0.219 0.000 0.800 347 E CB -0.040 29.783 29.700 0.204 0.000 0.746 347 E HN 0.203 nan 8.360 nan 0.000 0.452 348 R N 1.113 121.673 120.500 0.099 0.000 2.092 348 R HA -0.153 4.187 4.340 0.001 0.000 0.231 348 R C 1.883 178.221 176.300 0.064 0.000 1.119 348 R CA 1.353 57.497 56.100 0.073 0.000 0.970 348 R CB 0.078 30.422 30.300 0.074 0.000 0.864 348 R HN 0.166 nan 8.270 nan 0.000 0.440 349 E N -0.237 120.006 120.200 0.072 0.000 2.153 349 E HA -0.169 4.181 4.350 0.001 0.000 0.194 349 E C 1.910 178.542 176.600 0.053 0.000 0.988 349 E CA 1.012 57.448 56.400 0.061 0.000 0.811 349 E CB 0.094 29.835 29.700 0.068 0.000 0.746 349 E HN 0.296 nan 8.360 nan 0.000 0.466 350 R N -0.684 119.854 120.500 0.063 0.000 2.299 350 R HA 0.050 4.391 4.340 0.001 0.000 0.197 350 R C 1.141 177.455 176.300 0.024 0.000 0.971 350 R CA 0.523 56.647 56.100 0.040 0.000 1.030 350 R CB 0.409 30.731 30.300 0.037 0.000 0.932 350 R HN 0.238 nan 8.270 nan 0.000 0.477 351 G N 0.977 109.795 108.800 0.030 0.000 2.143 351 G HA2 -0.305 3.656 3.960 0.001 0.000 0.249 351 G HA3 -0.305 3.656 3.960 0.001 0.000 0.249 351 G C 0.152 175.062 174.900 0.016 0.000 0.981 351 G CA 0.137 45.249 45.100 0.020 0.000 0.665 351 G HN 0.157 nan 8.290 nan 0.000 0.528 352 M N -0.209 119.405 119.600 0.024 0.000 2.227 352 M HA 0.532 5.012 4.480 0.001 0.000 0.316 352 M C 0.638 176.955 176.300 0.029 0.000 1.144 352 M CA -0.566 54.746 55.300 0.018 0.000 1.121 352 M CB 0.555 33.166 32.600 0.019 0.000 1.440 352 M HN 0.144 nan 8.290 nan 0.000 0.473 353 E N 1.214 121.426 120.200 0.021 0.000 2.360 353 E HA 0.242 4.592 4.350 0.001 0.000 0.269 353 E C -1.204 175.418 176.600 0.036 0.000 1.022 353 E CA 0.047 56.461 56.400 0.022 0.000 0.887 353 E CB 0.424 30.131 29.700 0.012 0.000 0.990 353 E HN 0.367 nan 8.360 nan 0.000 0.426 354 I N 3.305 123.897 120.570 0.038 0.000 2.441 354 I HA 0.062 4.232 4.170 0.001 0.000 0.287 354 I C 0.408 176.540 176.117 0.025 0.000 1.049 354 I CA -0.227 61.100 61.300 0.045 0.000 1.381 354 I CB 1.125 39.155 38.000 0.049 0.000 1.409 354 I HN 0.415 nan 8.210 nan 0.000 0.523 355 S N 7.053 122.762 115.700 0.015 0.000 2.584 355 S HA 0.169 4.639 4.470 0.001 0.000 0.270 355 S C -2.170 172.396 174.600 -0.056 0.000 1.346 355 S CA -0.831 57.350 58.200 -0.031 0.000 1.018 355 S CB 0.111 63.272 63.200 -0.066 0.000 0.899 355 S HN 0.410 nan 8.310 nan 0.000 0.542 356 P HA 0.097 nan 4.420 nan 0.000 0.264 356 P C 0.337 177.570 177.300 -0.112 0.000 1.183 356 P CA 0.504 63.563 63.100 -0.069 0.000 0.763 356 P CB 0.063 31.718 31.700 -0.075 0.000 0.807 357 M N -0.456 119.140 119.600 -0.006 0.000 2.939 357 M HA -0.259 4.222 4.480 0.001 0.000 0.194 357 M C 0.165 176.573 176.300 0.181 0.000 0.617 357 M CA 0.738 56.087 55.300 0.081 0.000 0.734 357 M CB -2.493 30.143 32.600 0.060 0.000 2.637 357 M HN 0.357 nan 8.290 nan 0.000 0.316 358 C N -0.139 119.236 119.300 0.124 0.000 3.038 358 C HA 0.202 4.663 4.460 0.001 0.000 0.279 358 C C 0.871 176.020 174.990 0.265 0.000 1.276 358 C CA -0.229 58.925 59.018 0.227 0.000 1.697 358 C CB -0.276 27.485 27.740 0.035 0.000 2.032 358 C HN 0.419 nan 8.230 nan 0.000 0.636 359 D N 1.747 122.243 120.400 0.160 0.000 2.428 359 D HA 0.093 4.733 4.640 0.001 0.000 0.221 359 D C 1.307 177.441 176.300 -0.276 0.000 1.123 359 D CA -0.019 53.973 54.000 -0.013 0.000 0.869 359 D CB 0.696 41.510 40.800 0.023 0.000 1.032 359 D HN 0.479 nan 8.370 nan 0.000 0.506 360 K N 3.133 123.080 120.400 -0.755 0.000 2.360 360 K HA -0.149 4.171 4.320 0.001 0.000 0.201 360 K C 0.594 176.747 176.600 -0.744 0.000 1.046 360 K CA 0.987 56.451 56.287 -1.371 0.000 0.945 360 K CB -0.013 31.640 32.500 -1.411 0.000 0.750 360 K HN 0.429 nan 8.250 nan 0.000 0.464 361 H N 0.471 119.382 119.070 -0.264 0.000 2.563 361 H HA 0.170 4.726 4.556 0.001 0.000 0.264 361 H C 0.264 175.540 175.328 -0.088 0.000 0.957 361 H CA 0.354 56.316 56.048 -0.144 0.000 1.173 361 H CB 0.425 30.128 29.762 -0.099 0.000 1.420 361 H HN 0.287 nan 8.280 nan 0.000 0.551 362 N N 0.520 119.226 118.700 0.010 0.000 2.588 362 N HA 0.246 4.987 4.740 0.001 0.000 0.298 362 N C -0.486 175.048 175.510 0.040 0.000 1.718 362 N CA 0.000 53.069 53.050 0.031 0.000 0.888 362 N CB 1.399 39.911 38.487 0.040 0.000 1.389 362 N HN 0.085 nan 8.380 nan 0.000 0.491 363 A N 0.144 122.988 122.820 0.040 0.000 2.293 363 A HA 0.690 5.010 4.320 0.001 0.000 0.302 363 A C 0.220 177.871 177.584 0.111 0.000 1.119 363 A CA -0.203 51.911 52.037 0.127 0.000 0.823 363 A CB 0.687 19.848 19.000 0.269 0.000 1.097 363 A HN 0.071 nan 8.150 nan 0.000 0.491 364 S N 1.481 117.252 115.700 0.118 0.000 2.216 364 S HA 0.221 4.692 4.470 0.001 0.000 0.156 364 S C 0.911 175.572 174.600 0.100 0.000 1.665 364 S CA -0.524 57.733 58.200 0.095 0.000 1.262 364 S CB 0.824 64.068 63.200 0.074 0.000 1.207 364 S HN 0.507 nan 8.310 nan 0.000 0.427 365 V N 1.962 121.946 119.914 0.117 0.000 2.332 365 V HA -0.220 3.900 4.120 0.001 0.000 0.248 365 V C 2.162 178.293 176.094 0.062 0.000 1.055 365 V CA 2.025 64.379 62.300 0.090 0.000 1.038 365 V CB -0.409 31.481 31.823 0.112 0.000 0.651 365 V HN 0.544 nan 8.190 nan 0.000 0.450 366 E N 0.038 120.312 120.200 0.123 0.000 2.046 366 E HA -0.148 4.203 4.350 0.001 0.000 0.190 366 E C 2.222 178.884 176.600 0.103 0.000 0.982 366 E CA 0.982 57.493 56.400 0.184 0.000 0.800 366 E CB -0.293 29.536 29.700 0.215 0.000 0.756 366 E HN 0.523 nan 8.360 nan 0.000 0.449 367 K N 0.249 120.703 120.400 0.090 0.000 2.097 367 K HA -0.046 4.274 4.320 0.001 0.000 0.206 367 K C 2.258 178.913 176.600 0.091 0.000 1.049 367 K CA 1.354 57.694 56.287 0.088 0.000 0.933 367 K CB -0.098 32.449 32.500 0.078 0.000 0.717 367 K HN -0.043 nan 8.250 nan 0.000 0.442 368 S N 0.747 116.490 115.700 0.072 0.000 2.402 368 S HA -0.106 4.364 4.470 0.001 0.000 0.229 368 S C 1.826 176.482 174.600 0.094 0.000 1.021 368 S CA 0.928 59.175 58.200 0.078 0.000 0.974 368 S CB -0.057 63.176 63.200 0.055 0.000 0.800 368 S HN 0.247 nan 8.310 nan 0.000 0.484 369 Q N 0.770 120.569 119.800 -0.002 0.000 2.079 369 Q HA 0.027 4.368 4.340 0.001 0.000 0.200 369 Q C 2.424 178.503 176.000 0.131 0.000 0.974 369 Q CA 0.912 56.708 55.803 -0.012 0.000 0.840 369 Q CB -0.820 27.568 28.738 -0.583 0.000 0.898 369 Q HN 0.416 nan 8.270 nan 0.000 0.430 370 V N 0.362 120.342 119.914 0.110 0.000 2.343 370 V HA -0.200 3.920 4.120 0.001 0.000 0.247 370 V C 2.280 178.483 176.094 0.181 0.000 1.051 370 V CA 1.971 64.363 62.300 0.152 0.000 1.036 370 V CB -1.172 30.734 31.823 0.139 0.000 0.654 370 V HN 0.435 nan 8.190 nan 0.000 0.451 371 G N -0.895 108.043 108.800 0.229 0.000 2.402 371 G HA2 -0.297 3.663 3.960 0.001 0.000 0.216 371 G HA3 -0.297 3.663 3.960 0.001 0.000 0.216 371 G C 1.534 176.683 174.900 0.415 0.000 1.162 371 G CA 0.900 46.214 45.100 0.356 0.000 0.777 371 G HN 0.460 nan 8.290 nan 0.000 0.539 372 F N 1.594 121.639 119.950 0.160 0.000 2.126 372 F HA -0.008 4.519 4.527 0.000 0.000 0.299 372 F C 2.403 178.286 175.800 0.137 0.000 1.096 372 F CA 0.947 59.025 58.000 0.130 0.000 1.255 372 F CB -0.316 38.733 39.000 0.082 0.000 0.997 372 F HN 0.121 nan 8.300 nan 0.000 0.479 373 I N -0.024 120.563 120.570 0.029 0.000 2.202 373 I HA -0.268 3.902 4.170 0.001 0.000 0.242 373 I C 2.063 178.180 176.117 0.001 0.000 1.091 373 I CA 1.497 62.755 61.300 -0.071 0.000 1.368 373 I CB -0.606 37.418 38.000 0.040 0.000 1.058 373 I HN 0.013 nan 8.210 nan 0.000 0.410 374 D N 0.163 120.571 120.400 0.012 0.000 2.117 374 D HA -0.191 4.450 4.640 0.001 0.000 0.197 374 D C 1.957 178.141 176.300 -0.194 0.000 0.987 374 D CA 1.768 55.687 54.000 -0.136 0.000 0.829 374 D CB -0.199 40.444 40.800 -0.262 0.000 0.961 374 D HN 0.404 nan 8.370 nan 0.000 0.460 375 Y N -0.775 119.565 120.300 0.067 0.000 2.509 375 Y HA 0.125 4.676 4.550 0.001 0.000 0.270 375 Y C 1.947 177.900 175.900 0.089 0.000 1.103 375 Y CA 0.105 58.257 58.100 0.087 0.000 1.278 375 Y CB 0.666 39.184 38.460 0.096 0.000 1.087 375 Y HN -0.072 nan 8.280 nan 0.000 0.542 376 I N -2.395 118.255 120.570 0.133 0.000 3.650 376 I HA -0.014 4.156 4.170 0.001 0.000 0.261 376 I C 1.885 177.952 176.117 -0.083 0.000 1.154 376 I CA 0.539 61.826 61.300 -0.021 0.000 1.418 376 I CB -0.846 37.069 38.000 -0.141 0.000 1.539 376 I HN -0.134 nan 8.210 nan 0.000 0.449 377 V N 1.391 121.148 119.914 -0.261 0.000 2.323 377 V HA -0.223 3.897 4.120 0.001 0.000 0.244 377 V C 2.553 178.711 176.094 0.107 0.000 1.041 377 V CA 1.916 64.121 62.300 -0.159 0.000 1.025 377 V CB -0.955 30.616 31.823 -0.419 0.000 0.656 377 V HN 0.458 nan 8.190 nan 0.000 0.451 378 H N 0.865 119.940 119.070 0.008 0.000 2.326 378 H HA -0.071 4.485 4.556 0.001 0.000 0.301 378 H C -0.016 175.373 175.328 0.101 0.000 1.081 378 H CA 2.021 58.112 56.048 0.071 0.000 1.334 378 H CB -0.911 28.861 29.762 0.017 0.000 1.385 378 H HN 0.313 nan 8.280 nan 0.000 0.504 379 P HA -0.164 nan 4.420 nan 0.000 0.216 379 P C 1.923 179.275 177.300 0.087 0.000 1.153 379 P CA 0.975 64.159 63.100 0.141 0.000 0.858 379 P CB -0.163 31.636 31.700 0.165 0.000 0.789 380 L N -1.851 119.437 121.223 0.108 0.000 2.005 380 L HA -0.045 4.296 4.340 0.001 0.000 0.207 380 L C 2.124 178.958 176.870 -0.059 0.000 1.072 380 L CA 1.773 56.632 54.840 0.031 0.000 0.744 380 L CB -1.448 40.623 42.059 0.020 0.000 0.895 380 L HN -0.058 nan 8.230 nan 0.000 0.433 381 W N 0.306 121.574 121.300 -0.054 0.000 2.402 381 W HA -0.120 4.540 4.660 0.001 0.000 0.286 381 W C 2.663 179.132 176.519 -0.083 0.000 1.221 381 W CA 1.423 58.732 57.345 -0.059 0.000 1.257 381 W CB -0.062 29.320 29.460 -0.130 0.000 1.120 381 W HN 0.303 nan 8.180 nan 0.000 0.551 382 E N -0.511 119.672 120.200 -0.028 0.000 2.150 382 E HA -0.176 4.174 4.350 0.001 0.000 0.193 382 E C 1.835 178.432 176.600 -0.005 0.000 0.985 382 E CA 1.807 58.154 56.400 -0.089 0.000 0.814 382 E CB -0.055 29.534 29.700 -0.184 0.000 0.752 382 E HN 0.077 nan 8.360 nan 0.000 0.466 383 T N 0.481 115.043 114.554 0.014 0.000 2.812 383 T HA -0.149 4.201 4.350 0.001 0.000 0.264 383 T C 1.220 175.930 174.700 0.016 0.000 1.042 383 T CA 0.941 63.043 62.100 0.005 0.000 1.140 383 T CB -0.405 68.469 68.868 0.010 0.000 0.870 383 T HN 0.427 nan 8.240 nan 0.000 0.445 384 W N 2.211 123.429 121.300 -0.136 0.000 2.355 384 W HA -0.121 4.539 4.660 0.000 0.000 0.309 384 W C 2.477 178.960 176.519 -0.059 0.000 1.206 384 W CA 1.267 58.517 57.345 -0.159 0.000 1.284 384 W CB -0.493 28.747 29.460 -0.366 0.000 1.145 384 W HN 0.295 nan 8.180 nan 0.000 0.502 385 A N 0.358 123.257 122.820 0.132 0.000 1.940 385 A HA -0.280 4.040 4.320 0.001 0.000 0.219 385 A C 1.767 179.327 177.584 -0.039 0.000 1.176 385 A CA 2.259 54.342 52.037 0.077 0.000 0.631 385 A CB -1.152 17.928 19.000 0.133 0.000 0.814 385 A HN 0.315 nan 8.150 nan 0.000 0.446 386 D N -0.542 119.806 120.400 -0.086 0.000 2.117 386 D HA -0.112 4.528 4.640 0.001 0.000 0.198 386 D C 1.823 178.039 176.300 -0.140 0.000 0.982 386 D CA 1.137 55.063 54.000 -0.124 0.000 0.828 386 D CB -0.239 40.490 40.800 -0.118 0.000 0.967 386 D HN 0.287 nan 8.370 nan 0.000 0.464 387 L N 0.466 121.545 121.223 -0.239 0.000 2.046 387 L HA -0.116 4.224 4.340 0.001 0.000 0.208 387 L C 1.934 178.606 176.870 -0.331 0.000 1.077 387 L CA 1.533 56.181 54.840 -0.320 0.000 0.747 387 L CB -0.220 41.539 42.059 -0.500 0.000 0.896 387 L HN 0.105 nan 8.230 nan 0.000 0.432 388 V N -3.490 116.188 119.914 -0.394 0.000 3.271 388 V HA 0.174 4.295 4.120 0.001 0.000 0.327 388 V C 0.999 177.030 176.094 -0.105 0.000 1.389 388 V CA -0.656 61.473 62.300 -0.285 0.000 1.156 388 V CB -1.536 30.059 31.823 -0.379 0.000 1.103 388 V HN 0.378 nan 8.190 nan 0.000 0.453 389 H N 3.721 122.697 119.070 -0.156 0.000 3.094 389 H HA 0.109 4.666 4.556 0.001 0.000 0.320 389 H C -1.607 173.675 175.328 -0.077 0.000 1.000 389 H CA -0.181 55.810 56.048 -0.095 0.000 1.413 389 H CB 1.720 31.435 29.762 -0.079 0.000 1.405 389 H HN 0.382 nan 8.280 nan 0.000 0.586 390 P HA 0.100 nan 4.420 nan 0.000 0.266 390 P C 0.102 177.335 177.300 -0.111 0.000 1.561 390 P CA -0.204 62.670 63.100 -0.377 0.000 1.089 390 P CB 0.388 31.767 31.700 -0.534 0.000 1.534 391 D N 1.741 122.094 120.400 -0.079 0.000 2.158 391 D HA -0.151 4.490 4.640 0.001 0.000 0.197 391 D C 1.621 177.908 176.300 -0.021 0.000 0.995 391 D CA 1.674 55.646 54.000 -0.046 0.000 0.846 391 D CB -0.450 40.331 40.800 -0.030 0.000 0.941 391 D HN 0.249 nan 8.370 nan 0.000 0.456 392 A N 0.097 122.932 122.820 0.025 0.000 2.415 392 A HA 0.081 4.401 4.320 0.001 0.000 0.248 392 A C 1.757 179.347 177.584 0.010 0.000 1.299 392 A CA -0.020 52.041 52.037 0.040 0.000 0.899 392 A CB 0.046 19.187 19.000 0.235 0.000 0.997 392 A HN -0.029 nan 8.150 nan 0.000 0.506 393 Q N 0.958 120.766 119.800 0.013 0.000 2.096 393 Q HA -0.189 4.151 4.340 0.001 0.000 0.204 393 Q C 1.013 177.001 176.000 -0.020 0.000 0.982 393 Q CA 2.319 58.136 55.803 0.023 0.000 0.850 393 Q CB -0.163 28.594 28.738 0.032 0.000 0.901 393 Q HN 0.600 nan 8.270 nan 0.000 0.422 394 D N -0.486 119.882 120.400 -0.054 0.000 2.144 394 D HA -0.109 4.531 4.640 0.001 0.000 0.200 394 D C 1.835 178.065 176.300 -0.116 0.000 0.978 394 D CA 1.029 54.990 54.000 -0.065 0.000 0.833 394 D CB -0.095 40.669 40.800 -0.061 0.000 0.961 394 D HN 0.374 nan 8.370 nan 0.000 0.470 395 I N 0.284 120.717 120.570 -0.229 0.000 2.202 395 I HA -0.226 3.945 4.170 0.001 0.000 0.242 395 I C 2.316 178.271 176.117 -0.269 0.000 1.091 395 I CA 0.468 61.537 61.300 -0.385 0.000 1.368 395 I CB -0.092 37.468 38.000 -0.734 0.000 1.058 395 I HN -0.008 nan 8.210 nan 0.000 0.410 396 L N 0.849 121.981 121.223 -0.151 0.000 2.083 396 L HA -0.232 4.108 4.340 0.001 0.000 0.209 396 L C 1.912 178.774 176.870 -0.013 0.000 1.083 396 L CA 1.986 56.785 54.840 -0.069 0.000 0.752 396 L CB -0.755 41.308 42.059 0.007 0.000 0.899 396 L HN 0.177 nan 8.230 nan 0.000 0.433 397 D N -1.294 119.102 120.400 -0.006 0.000 2.117 397 D HA -0.152 4.488 4.640 0.001 0.000 0.197 397 D C 2.069 178.384 176.300 0.025 0.000 0.987 397 D CA 1.765 55.780 54.000 0.025 0.000 0.829 397 D CB -0.226 40.586 40.800 0.020 0.000 0.961 397 D HN 0.341 nan 8.370 nan 0.000 0.460 398 T N 1.241 115.792 114.554 -0.005 0.000 2.777 398 T HA -0.126 4.224 4.350 0.001 0.000 0.266 398 T C 1.908 176.618 174.700 0.015 0.000 1.040 398 T CA 0.490 62.599 62.100 0.014 0.000 1.141 398 T CB -0.318 68.558 68.868 0.015 0.000 0.868 398 T HN 0.036 nan 8.240 nan 0.000 0.444 399 L N 1.550 122.748 121.223 -0.042 0.000 2.012 399 L HA -0.093 4.247 4.340 0.001 0.000 0.210 399 L C 2.230 179.149 176.870 0.082 0.000 1.073 399 L CA 1.862 56.679 54.840 -0.038 0.000 0.748 399 L CB -0.660 41.333 42.059 -0.111 0.000 0.891 399 L HN 0.267 nan 8.230 nan 0.000 0.431 400 E N -0.749 119.516 120.200 0.109 0.000 2.106 400 E HA -0.201 4.149 4.350 0.001 0.000 0.192 400 E C 1.779 178.451 176.600 0.121 0.000 0.984 400 E CA 1.173 57.645 56.400 0.121 0.000 0.806 400 E CB -0.133 29.638 29.700 0.119 0.000 0.750 400 E HN 0.557 nan 8.360 nan 0.000 0.458 401 D N 0.529 120.998 120.400 0.116 0.000 2.117 401 D HA -0.112 4.528 4.640 0.001 0.000 0.197 401 D C 1.608 178.038 176.300 0.216 0.000 0.987 401 D CA 0.764 54.847 54.000 0.138 0.000 0.829 401 D CB -0.264 40.598 40.800 0.104 0.000 0.961 401 D HN 0.072 nan 8.370 nan 0.000 0.460 402 N N 0.548 119.388 118.700 0.233 0.000 2.188 402 N HA -0.114 4.627 4.740 0.001 0.000 0.184 402 N C 1.750 177.570 175.510 0.516 0.000 1.018 402 N CA 0.392 53.676 53.050 0.390 0.000 0.858 402 N CB -0.164 38.571 38.487 0.414 0.000 0.989 402 N HN 0.124 nan 8.380 nan 0.000 0.426 403 R N 1.531 122.242 120.500 0.352 0.000 2.073 403 R HA -0.119 4.221 4.340 0.001 0.000 0.234 403 R C 1.706 178.172 176.300 0.277 0.000 1.134 403 R CA 1.335 57.620 56.100 0.308 0.000 0.952 403 R CB -0.285 30.111 30.300 0.161 0.000 0.850 403 R HN 0.156 nan 8.270 nan 0.000 0.433 404 E N -0.344 119.987 120.200 0.219 0.000 2.110 404 E HA -0.201 4.149 4.350 0.001 0.000 0.193 404 E C 1.743 178.457 176.600 0.191 0.000 0.988 404 E CA 1.664 58.163 56.400 0.165 0.000 0.804 404 E CB -0.622 29.157 29.700 0.133 0.000 0.745 404 E HN 0.427 nan 8.360 nan 0.000 0.458 405 W N -0.349 121.005 121.300 0.089 0.000 2.354 405 W HA -0.219 4.441 4.660 0.001 0.000 0.315 405 W C 1.757 178.279 176.519 0.006 0.000 1.206 405 W CA 1.954 59.311 57.345 0.021 0.000 1.290 405 W CB -0.671 28.776 29.460 -0.022 0.000 1.152 405 W HN 0.128 nan 8.180 nan 0.000 0.489 406 Y N 0.650 121.120 120.300 0.283 0.000 2.181 406 Y HA -0.313 4.238 4.550 0.001 0.000 0.288 406 Y C 2.702 178.556 175.900 -0.077 0.000 1.146 406 Y CA 2.377 60.517 58.100 0.066 0.000 1.164 406 Y CB -1.161 37.447 38.460 0.248 0.000 0.982 406 Y HN 0.066 nan 8.280 nan 0.000 0.515 407 Q N 0.426 120.315 119.800 0.149 0.000 2.084 407 Q HA -0.176 4.164 4.340 0.001 0.000 0.202 407 Q C 2.334 178.309 176.000 -0.042 0.000 0.978 407 Q CA 2.210 58.050 55.803 0.061 0.000 0.844 407 Q CB -0.572 28.208 28.738 0.070 0.000 0.898 407 Q HN 0.429 nan 8.270 nan 0.000 0.426 408 S N -1.290 114.339 115.700 -0.119 0.000 2.442 408 S HA -0.136 4.334 4.470 0.001 0.000 0.236 408 S C 1.850 176.300 174.600 -0.251 0.000 1.007 408 S CA 1.378 59.472 58.200 -0.177 0.000 0.965 408 S CB -0.909 62.170 63.200 -0.201 0.000 0.773 408 S HN 0.609 nan 8.310 nan 0.000 0.504 409 T N -0.243 114.101 114.554 -0.351 0.000 3.055 409 T HA 0.238 4.588 4.350 0.001 0.000 0.265 409 T C 1.701 176.308 174.700 -0.154 0.000 1.111 409 T CA 0.504 62.407 62.100 -0.329 0.000 1.118 409 T CB -0.663 67.918 68.868 -0.478 0.000 0.909 409 T HN 0.451 nan 8.240 nan 0.000 0.501 410 I N 1.702 122.217 120.570 -0.091 0.000 2.163 410 I HA 0.045 4.215 4.170 0.001 0.000 0.240 410 I C -0.757 175.340 176.117 -0.032 0.000 1.081 410 I CA 0.117 61.397 61.300 -0.034 0.000 1.353 410 I CB -1.559 36.442 38.000 0.002 0.000 1.054 410 I HN 0.295 nan 8.210 nan 0.000 0.407 411 P HA 0.000 nan 4.420 nan 0.000 0.216 411 P CA 0.000 63.083 63.100 -0.029 0.000 0.800 411 P CB 0.000 31.682 31.700 -0.031 0.000 0.726