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 1zmw_1_A DATA FIRST_RESID 49 DATA SEQUENCE HIGNYRLLKT IGKGNFAKVK LARHILTGKE VAVKIIDKTQ LNSSSLQKLF DATA SEQUENCE REVRIMKVLN HPNIVKLFEV IETEKTLYLV MEYASGGEVF DYLVAHGRMK DATA SEQUENCE EKEARAKFRQ IVSAVQYCHQ KFIVHRDLKA ENLLLDADMN IKIAXXXXXX DATA SEQUENCE XXXXXXXLDA FCGAPPYAAP ELFQGKKYDG PEVDVWSLGV ILYTLVSGSL DATA SEQUENCE PFDGQNLKEL RERVLRGKYR IPFYMSTDCE NLLKKFLILN PSKRGTLEQI DATA SEQUENCE MKDRWMNVGH EDDELKPYVE PLPDYKDPRR TELMVSMGYT REEIQDSLVG DATA SEQUENCE QRYNEVMATY LLLGY 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 49 H HA 0.000 nan 4.556 nan 0.000 0.296 49 H C 0.000 175.223 175.328 -0.175 0.000 0.993 49 H CA 0.000 55.989 56.048 -0.098 0.000 1.023 49 H CB 0.000 29.740 29.762 -0.036 0.000 1.292 50 I N 0.132 120.612 120.570 -0.150 0.000 3.261 50 I HA 0.409 4.579 4.170 -0.001 0.000 0.341 50 I C 1.310 177.461 176.117 0.057 0.000 1.355 50 I CA -0.273 60.985 61.300 -0.070 0.000 1.070 50 I CB 0.635 38.553 38.000 -0.135 0.000 1.742 50 I HN 0.683 nan 8.210 nan 0.000 0.498 51 G N 2.763 111.597 108.800 0.056 0.000 2.498 51 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.219 51 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.219 51 G C 1.225 176.108 174.900 -0.029 0.000 1.119 51 G CA 0.753 45.877 45.100 0.040 0.000 0.766 51 G HN 0.685 nan 8.290 nan 0.000 0.552 52 N N -0.847 117.807 118.700 -0.077 0.000 2.336 52 N HA 0.060 4.799 4.740 -0.001 0.000 0.189 52 N C -0.581 174.617 175.510 -0.521 0.000 1.113 52 N CA -0.174 52.704 53.050 -0.286 0.000 0.858 52 N CB 0.041 38.351 38.487 -0.295 0.000 0.970 52 N HN 0.310 nan 8.380 nan 0.000 0.471 53 Y N 0.633 120.924 120.300 -0.015 0.000 2.429 53 Y HA 0.466 5.015 4.550 -0.001 0.000 0.342 53 Y C 0.285 176.176 175.900 -0.016 0.000 1.004 53 Y CA -1.335 56.766 58.100 0.002 0.000 1.075 53 Y CB 1.451 39.941 38.460 0.049 0.000 1.214 53 Y HN -0.150 nan 8.280 nan 0.000 0.455 54 R N 2.747 123.328 120.500 0.136 0.000 2.229 54 R HA 0.491 4.830 4.340 -0.001 0.000 0.332 54 R C -1.875 174.467 176.300 0.070 0.000 0.989 54 R CA -0.294 55.849 56.100 0.071 0.000 0.842 54 R CB 0.014 30.329 30.300 0.025 0.000 1.119 54 R HN 0.771 nan 8.270 nan 0.000 0.456 55 L N 6.562 127.816 121.223 0.053 0.000 2.360 55 L HA 0.220 4.559 4.340 -0.001 0.000 0.276 55 L C 0.476 177.350 176.870 0.007 0.000 1.121 55 L CA -0.180 54.677 54.840 0.029 0.000 0.845 55 L CB 0.462 42.538 42.059 0.029 0.000 1.143 55 L HN 0.607 nan 8.230 nan 0.000 0.452 56 L N 1.505 122.720 121.223 -0.014 0.000 2.591 56 L HA 0.427 4.766 4.340 -0.001 0.000 0.197 56 L C 0.457 177.309 176.870 -0.031 0.000 1.537 56 L CA -0.823 54.002 54.840 -0.025 0.000 3.045 56 L CB -0.163 41.871 42.059 -0.041 0.000 2.859 56 L HN 0.360 nan 8.230 nan 0.000 0.957 57 K N 0.465 120.837 120.400 -0.047 0.000 2.168 57 K HA 0.170 4.489 4.320 -0.001 0.000 0.258 57 K C -0.746 175.830 176.600 -0.039 0.000 1.010 57 K CA -0.020 56.244 56.287 -0.038 0.000 0.929 57 K CB 0.774 33.251 32.500 -0.038 0.000 0.998 57 K HN 0.257 nan 8.250 nan 0.000 0.479 58 T N 3.784 118.323 114.554 -0.024 0.000 2.794 58 T HA 0.258 4.607 4.350 -0.001 0.000 0.296 58 T C 1.085 175.775 174.700 -0.016 0.000 0.949 58 T CA -0.091 61.997 62.100 -0.020 0.000 1.101 58 T CB 0.095 68.955 68.868 -0.013 0.000 0.905 58 T HN 0.450 nan 8.240 nan 0.000 0.516 59 I N 2.018 122.580 120.570 -0.012 0.000 3.956 59 I HA 0.323 4.492 4.170 -0.001 0.000 0.333 59 I C 1.160 177.287 176.117 0.016 0.000 1.302 59 I CA -0.070 61.238 61.300 0.012 0.000 1.122 59 I CB 0.426 38.447 38.000 0.036 0.000 1.013 59 I HN 0.757 nan 8.210 nan 0.000 0.405 60 G N 1.950 110.751 108.800 0.002 0.000 2.387 60 G HA2 0.142 4.101 3.960 -0.001 0.000 0.309 60 G HA3 0.142 4.101 3.960 -0.001 0.000 0.309 60 G C -1.590 173.304 174.900 -0.011 0.000 1.641 60 G CA -0.701 44.397 45.100 -0.004 0.000 0.904 60 G HN -0.128 nan 8.290 nan 0.000 0.661 61 K N 1.554 121.943 120.400 -0.019 0.000 2.207 61 K HA 0.834 5.153 4.320 -0.001 0.000 0.255 61 K C 0.112 176.690 176.600 -0.036 0.000 0.941 61 K CA -0.132 56.140 56.287 -0.026 0.000 0.825 61 K CB 1.950 34.432 32.500 -0.029 0.000 1.119 61 K HN 0.835 nan 8.250 nan 0.000 0.430 62 G N 2.013 110.791 108.800 -0.037 0.000 3.013 62 G HA2 0.180 4.139 3.960 -0.001 0.000 0.278 62 G HA3 0.180 4.139 3.960 -0.001 0.000 0.278 62 G C 0.309 175.140 174.900 -0.115 0.000 1.353 62 G CA -0.641 44.426 45.100 -0.055 0.000 1.043 62 G HN 0.771 nan 8.290 nan 0.000 0.523 63 N N -0.974 117.579 118.700 -0.246 0.000 2.039 63 N HA -0.086 4.653 4.740 -0.001 0.000 0.193 63 N C 1.033 176.327 175.510 -0.361 0.000 1.044 63 N CA 1.600 54.367 53.050 -0.472 0.000 0.847 63 N CB -0.136 37.787 38.487 -0.940 0.000 1.030 63 N HN 0.433 nan 8.380 nan 0.000 0.422 64 F N -1.081 118.849 119.950 -0.035 0.000 2.764 64 F HA 0.673 5.199 4.527 -0.002 0.000 0.310 64 F C -0.071 175.699 175.800 -0.050 0.000 1.124 64 F CA -1.419 56.558 58.000 -0.038 0.000 1.252 64 F CB -0.245 38.735 39.000 -0.033 0.000 1.010 64 F HN -0.167 nan 8.300 nan 0.000 0.518 65 A N 1.182 124.101 122.820 0.164 0.000 2.549 65 A HA 0.817 5.137 4.320 -0.001 0.000 0.297 65 A C -0.918 176.675 177.584 0.016 0.000 1.061 65 A CA -0.903 51.174 52.037 0.067 0.000 0.690 65 A CB 1.945 20.988 19.000 0.071 0.000 1.287 65 A HN 0.295 nan 8.150 nan 0.000 0.402 66 K N 0.452 120.845 120.400 -0.011 0.000 2.385 66 K HA 0.802 5.121 4.320 -0.001 0.000 0.248 66 K C -1.314 175.276 176.600 -0.017 0.000 0.955 66 K CA -0.901 55.377 56.287 -0.015 0.000 0.816 66 K CB 2.389 34.880 32.500 -0.016 0.000 1.250 66 K HN 0.251 nan 8.250 nan 0.000 0.434 67 V N 2.229 122.136 119.914 -0.011 0.000 2.384 67 V HA 0.322 4.441 4.120 -0.001 0.000 0.287 67 V C -0.588 175.496 176.094 -0.016 0.000 1.020 67 V CA -0.804 61.491 62.300 -0.009 0.000 0.850 67 V CB 1.172 32.999 31.823 0.006 0.000 0.987 67 V HN 0.657 nan 8.190 nan 0.000 0.436 68 K N 3.657 124.042 120.400 -0.026 0.000 2.156 68 K HA 0.609 4.929 4.320 -0.001 0.000 0.254 68 K C -0.834 175.714 176.600 -0.086 0.000 0.950 68 K CA -0.992 55.269 56.287 -0.043 0.000 0.849 68 K CB 2.539 35.025 32.500 -0.024 0.000 1.100 68 K HN 0.428 nan 8.250 nan 0.000 0.434 69 L N 1.779 122.921 121.223 -0.136 0.000 2.397 69 L HA 0.443 4.782 4.340 -0.001 0.000 0.271 69 L C -0.749 176.041 176.870 -0.132 0.000 1.148 69 L CA 0.566 55.265 54.840 -0.236 0.000 0.825 69 L CB 0.921 42.773 42.059 -0.346 0.000 1.117 69 L HN 0.846 nan 8.230 nan 0.000 0.456 70 A N 5.066 127.821 122.820 -0.107 0.000 2.606 70 A HA 0.716 5.035 4.320 -0.001 0.000 0.293 70 A C -1.166 176.449 177.584 0.052 0.000 1.082 70 A CA -0.826 51.209 52.037 -0.003 0.000 0.685 70 A CB 1.190 20.206 19.000 0.028 0.000 1.284 70 A HN 0.708 nan 8.150 nan 0.000 0.408 71 R N 1.092 121.655 120.500 0.105 0.000 2.338 71 R HA 0.326 4.665 4.340 -0.001 0.000 0.317 71 R C -0.799 175.626 176.300 0.208 0.000 0.968 71 R CA -0.490 55.682 56.100 0.120 0.000 0.849 71 R CB 0.655 30.984 30.300 0.048 0.000 1.128 71 R HN 0.942 nan 8.270 nan 0.000 0.448 72 H N 6.557 125.704 119.070 0.128 0.000 2.944 72 H HA 0.049 4.604 4.556 -0.001 0.000 0.278 72 H C 1.066 176.338 175.328 -0.093 0.000 1.083 72 H CA 0.176 56.224 56.048 -0.001 0.000 1.479 72 H CB 0.712 30.478 29.762 0.007 0.000 1.486 72 H HN 0.719 nan 8.280 nan 0.000 0.493 73 I N 4.674 124.935 120.570 -0.514 0.000 2.118 73 I HA -0.374 3.795 4.170 -0.001 0.000 0.241 73 I C 2.347 178.256 176.117 -0.346 0.000 1.070 73 I CA 1.180 62.273 61.300 -0.346 0.000 1.327 73 I CB -0.062 37.777 38.000 -0.268 0.000 1.034 73 I HN 0.622 nan 8.210 nan 0.000 0.405 74 L N 0.010 120.908 121.223 -0.542 0.000 2.201 74 L HA -0.169 4.170 4.340 -0.001 0.000 0.212 74 L C 2.356 179.196 176.870 -0.050 0.000 1.105 74 L CA 1.793 56.497 54.840 -0.226 0.000 0.775 74 L CB -0.573 41.410 42.059 -0.126 0.000 0.913 74 L HN 0.482 nan 8.230 nan 0.000 0.440 75 T N -5.809 108.774 114.554 0.048 0.000 3.003 75 T HA 0.298 4.647 4.350 -0.001 0.000 0.261 75 T C 1.473 176.213 174.700 0.068 0.000 1.003 75 T CA 0.455 62.624 62.100 0.115 0.000 0.917 75 T CB 0.999 69.983 68.868 0.194 0.000 1.084 75 T HN 0.348 nan 8.240 nan 0.000 0.522 76 G N 1.818 110.644 108.800 0.042 0.000 2.284 76 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.261 76 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.261 76 G C 0.214 175.144 174.900 0.050 0.000 0.997 76 G CA 0.275 45.393 45.100 0.029 0.000 0.621 76 G HN 0.624 nan 8.290 nan 0.000 0.534 77 K N 1.715 122.153 120.400 0.064 0.000 2.436 77 K HA 0.254 4.573 4.320 -0.001 0.000 0.275 77 K C 0.667 177.291 176.600 0.039 0.000 0.999 77 K CA 0.106 56.402 56.287 0.014 0.000 0.980 77 K CB 0.471 32.918 32.500 -0.088 0.000 0.919 77 K HN 0.589 nan 8.250 nan 0.000 0.484 78 E N 1.446 121.660 120.200 0.023 0.000 2.283 78 E HA 0.207 4.556 4.350 -0.001 0.000 0.278 78 E C -0.210 176.420 176.600 0.050 0.000 1.027 78 E CA -0.545 55.875 56.400 0.034 0.000 0.843 78 E CB 1.170 30.887 29.700 0.030 0.000 1.062 78 E HN 0.347 nan 8.360 nan 0.000 0.401 79 V N -0.931 119.011 119.914 0.046 0.000 3.141 79 V HA 0.898 5.018 4.120 -0.001 0.000 0.312 79 V C -0.721 175.378 176.094 0.008 0.000 1.157 79 V CA -1.073 61.286 62.300 0.098 0.000 1.041 79 V CB 1.724 33.619 31.823 0.120 0.000 1.071 79 V HN 0.670 nan 8.190 nan 0.000 0.441 80 A N 1.191 124.050 122.820 0.065 0.000 2.325 80 A HA 0.894 5.213 4.320 -0.001 0.000 0.333 80 A C -0.729 176.836 177.584 -0.031 0.000 1.155 80 A CA -0.712 51.330 52.037 0.008 0.000 0.814 80 A CB 1.673 20.741 19.000 0.113 0.000 1.206 80 A HN 1.509 nan 8.150 nan 0.000 0.482 81 V N 2.782 122.663 119.914 -0.056 0.000 2.419 81 V HA 0.282 4.401 4.120 -0.001 0.000 0.287 81 V C -0.057 176.024 176.094 -0.022 0.000 1.017 81 V CA -0.594 61.664 62.300 -0.069 0.000 0.844 81 V CB 1.330 33.088 31.823 -0.108 0.000 1.011 81 V HN 0.923 nan 8.190 nan 0.000 0.429 82 K N 5.365 125.755 120.400 -0.018 0.000 2.276 82 K HA 0.571 4.890 4.320 -0.001 0.000 0.285 82 K C -0.806 175.765 176.600 -0.049 0.000 1.062 82 K CA -0.356 55.916 56.287 -0.026 0.000 0.918 82 K CB 0.685 33.168 32.500 -0.028 0.000 1.055 82 K HN 0.611 nan 8.250 nan 0.000 0.477 83 I N 6.949 127.467 120.570 -0.087 0.000 2.354 83 I HA 0.289 4.458 4.170 -0.001 0.000 0.286 83 I C -0.367 175.634 176.117 -0.195 0.000 1.007 83 I CA -0.756 60.407 61.300 -0.228 0.000 1.167 83 I CB 1.177 39.059 38.000 -0.196 0.000 1.320 83 I HN 0.485 nan 8.210 nan 0.000 0.458 84 I N 5.007 125.438 120.570 -0.232 0.000 2.404 84 I HA 0.218 4.387 4.170 -0.001 0.000 0.293 84 I C -0.148 175.887 176.117 -0.136 0.000 0.992 84 I CA -0.483 60.740 61.300 -0.128 0.000 1.149 84 I CB 1.866 39.810 38.000 -0.093 0.000 1.315 84 I HN 0.457 nan 8.210 nan 0.000 0.446 85 D N 6.331 126.692 120.400 -0.065 0.000 2.411 85 D HA 0.135 4.774 4.640 -0.001 0.000 0.225 85 D C 0.746 177.007 176.300 -0.065 0.000 1.156 85 D CA -0.070 53.900 54.000 -0.050 0.000 0.874 85 D CB 0.971 41.776 40.800 0.009 0.000 1.034 85 D HN 0.410 nan 8.370 nan 0.000 0.502 86 K N 1.154 121.516 120.400 -0.064 0.000 2.288 86 K HA -0.079 4.241 4.320 -0.001 0.000 0.201 86 K C 1.801 178.359 176.600 -0.071 0.000 1.048 86 K CA 1.163 57.412 56.287 -0.063 0.000 0.956 86 K CB 0.123 32.620 32.500 -0.004 0.000 0.746 86 K HN 0.494 nan 8.250 nan 0.000 0.461 87 T N -1.080 113.449 114.554 -0.043 0.000 2.995 87 T HA -0.067 4.282 4.350 -0.001 0.000 0.269 87 T C 1.616 176.294 174.700 -0.037 0.000 1.091 87 T CA 0.671 62.753 62.100 -0.029 0.000 1.128 87 T CB 0.081 68.947 68.868 -0.004 0.000 0.891 87 T HN -0.056 nan 8.240 nan 0.000 0.492 88 Q N 0.476 120.245 119.800 -0.051 0.000 2.320 88 Q HA 0.450 4.789 4.340 -0.001 0.000 0.201 88 Q C 0.051 175.875 176.000 -0.294 0.000 0.910 88 Q CA 0.053 55.839 55.803 -0.028 0.000 0.946 88 Q CB -0.048 28.800 28.738 0.183 0.000 1.062 88 Q HN 0.592 nan 8.270 nan 0.000 0.503 89 L N 1.185 122.212 121.223 -0.326 0.000 2.334 89 L HA 0.319 4.658 4.340 -0.001 0.000 0.272 89 L C 0.316 177.048 176.870 -0.231 0.000 1.020 89 L CA -1.085 53.492 54.840 -0.438 0.000 0.812 89 L CB 1.207 43.019 42.059 -0.412 0.000 1.264 89 L HN 0.046 nan 8.230 nan 0.000 0.439 90 N N -0.607 117.972 118.700 -0.201 0.000 2.448 90 N HA 0.246 4.986 4.740 -0.001 0.000 0.274 90 N C 0.533 175.970 175.510 -0.122 0.000 1.239 90 N CA -0.693 52.286 53.050 -0.117 0.000 0.982 90 N CB 0.438 38.882 38.487 -0.072 0.000 1.199 90 N HN 0.440 nan 8.380 nan 0.000 0.576 91 S N -0.555 115.087 115.700 -0.098 0.000 2.365 91 S HA -0.215 4.254 4.470 -0.001 0.000 0.225 91 S C 1.754 176.287 174.600 -0.111 0.000 1.039 91 S CA 1.777 59.911 58.200 -0.109 0.000 1.033 91 S CB -0.822 62.327 63.200 -0.086 0.000 0.887 91 S HN 0.745 nan 8.310 nan 0.000 0.447 92 S N 1.573 117.224 115.700 -0.082 0.000 2.406 92 S HA 0.008 4.477 4.470 -0.001 0.000 0.228 92 S C 1.929 176.486 174.600 -0.073 0.000 1.020 92 S CA 0.954 59.114 58.200 -0.067 0.000 0.965 92 S CB -0.462 62.714 63.200 -0.040 0.000 0.798 92 S HN 0.396 nan 8.310 nan 0.000 0.488 93 S N 2.509 118.153 115.700 -0.093 0.000 2.383 93 S HA 0.096 4.565 4.470 -0.001 0.000 0.227 93 S C 1.789 176.330 174.600 -0.098 0.000 1.026 93 S CA 1.074 59.209 58.200 -0.108 0.000 0.981 93 S CB -0.568 62.518 63.200 -0.191 0.000 0.818 93 S HN 0.395 nan 8.310 nan 0.000 0.472 94 L N 1.636 122.781 121.223 -0.130 0.000 2.017 94 L HA -0.165 4.175 4.340 -0.001 0.000 0.208 94 L C 2.886 179.669 176.870 -0.144 0.000 1.073 94 L CA 1.093 55.847 54.840 -0.143 0.000 0.745 94 L CB -0.643 41.266 42.059 -0.251 0.000 0.894 94 L HN 0.283 nan 8.230 nan 0.000 0.432 95 Q N 0.187 119.895 119.800 -0.153 0.000 2.062 95 Q HA -0.284 4.055 4.340 -0.001 0.000 0.209 95 Q C 2.268 178.268 176.000 -0.000 0.000 0.996 95 Q CA 1.604 57.354 55.803 -0.089 0.000 0.859 95 Q CB -0.445 28.250 28.738 -0.073 0.000 0.920 95 Q HN 0.421 nan 8.270 nan 0.000 0.415 96 K N 0.541 120.935 120.400 -0.010 0.000 2.063 96 K HA -0.146 4.173 4.320 -0.001 0.000 0.208 96 K C 2.203 178.822 176.600 0.032 0.000 1.048 96 K CA 0.647 56.935 56.287 0.002 0.000 0.928 96 K CB -0.359 32.131 32.500 -0.016 0.000 0.713 96 K HN 0.097 nan 8.250 nan 0.000 0.442 97 L N 0.508 121.769 121.223 0.064 0.000 1.970 97 L HA -0.162 4.177 4.340 -0.001 0.000 0.212 97 L C 2.128 179.098 176.870 0.167 0.000 1.071 97 L CA 1.741 56.642 54.840 0.102 0.000 0.751 97 L CB -0.768 41.380 42.059 0.149 0.000 0.889 97 L HN 0.016 nan 8.230 nan 0.000 0.432 98 F N 0.098 120.012 119.950 -0.060 0.000 2.250 98 F HA -0.184 4.342 4.527 -0.001 0.000 0.301 98 F C 2.747 178.517 175.800 -0.050 0.000 1.077 98 F CA 1.669 59.638 58.000 -0.051 0.000 1.348 98 F CB -0.717 38.258 39.000 -0.042 0.000 1.040 98 F HN 0.211 nan 8.300 nan 0.000 0.509 99 R N 0.637 121.216 120.500 0.132 0.000 2.075 99 R HA -0.094 4.245 4.340 -0.001 0.000 0.226 99 R C 1.940 178.238 176.300 -0.003 0.000 1.114 99 R CA 1.529 57.658 56.100 0.049 0.000 0.972 99 R CB -0.348 29.969 30.300 0.028 0.000 0.869 99 R HN 0.229 nan 8.270 nan 0.000 0.437 100 E N 0.021 120.212 120.200 -0.015 0.000 2.077 100 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 100 E C 1.948 178.501 176.600 -0.078 0.000 0.989 100 E CA 1.618 57.986 56.400 -0.053 0.000 0.800 100 E CB 0.044 29.712 29.700 -0.053 0.000 0.746 100 E HN 0.149 nan 8.360 nan 0.000 0.452 101 V N 0.814 120.669 119.914 -0.097 0.000 2.295 101 V HA -0.272 3.847 4.120 -0.001 0.000 0.246 101 V C 2.351 178.355 176.094 -0.151 0.000 1.049 101 V CA 1.957 64.159 62.300 -0.163 0.000 1.024 101 V CB -0.435 31.246 31.823 -0.237 0.000 0.648 101 V HN 0.158 nan 8.190 nan 0.000 0.447 102 R N -0.383 120.061 120.500 -0.094 0.000 2.083 102 R HA -0.134 4.205 4.340 -0.001 0.000 0.237 102 R C 2.230 178.502 176.300 -0.047 0.000 1.137 102 R CA 1.804 57.869 56.100 -0.058 0.000 0.951 102 R CB -0.367 29.925 30.300 -0.013 0.000 0.851 102 R HN 0.458 nan 8.270 nan 0.000 0.434 103 I N -0.145 120.398 120.570 -0.044 0.000 2.179 103 I HA -0.301 3.868 4.170 -0.001 0.000 0.242 103 I C 2.394 178.487 176.117 -0.039 0.000 1.088 103 I CA 1.255 62.534 61.300 -0.035 0.000 1.357 103 I CB -0.074 37.900 38.000 -0.044 0.000 1.051 103 I HN 0.262 nan 8.210 nan 0.000 0.409 104 M N 0.421 119.976 119.600 -0.075 0.000 2.374 104 M HA -0.152 4.328 4.480 -0.001 0.000 0.264 104 M C 1.918 178.157 176.300 -0.102 0.000 1.067 104 M CA 1.738 56.988 55.300 -0.084 0.000 1.103 104 M CB -0.251 32.281 32.600 -0.113 0.000 1.402 104 M HN -0.067 nan 8.290 nan 0.000 0.444 105 K N -1.378 118.929 120.400 -0.155 0.000 2.288 105 K HA -0.001 4.318 4.320 -0.001 0.000 0.201 105 K C 1.433 178.113 176.600 0.135 0.000 1.048 105 K CA 0.830 57.021 56.287 -0.161 0.000 0.956 105 K CB 0.163 32.550 32.500 -0.188 0.000 0.746 105 K HN 0.221 nan 8.250 nan 0.000 0.461 106 V N 0.923 120.894 119.914 0.095 0.000 3.621 106 V HA 0.091 4.210 4.120 -0.001 0.000 0.263 106 V C 0.392 176.590 176.094 0.173 0.000 1.272 106 V CA 0.124 62.504 62.300 0.134 0.000 1.080 106 V CB 0.233 32.101 31.823 0.075 0.000 0.816 106 V HN 0.133 nan 8.190 nan 0.000 0.451 107 L N 1.890 123.212 121.223 0.164 0.000 2.319 107 L HA 0.392 4.732 4.340 -0.001 0.000 0.280 107 L C -0.019 177.038 176.870 0.313 0.000 1.099 107 L CA 0.135 55.147 54.840 0.286 0.000 0.828 107 L CB 0.411 42.601 42.059 0.218 0.000 1.150 107 L HN 0.170 nan 8.230 nan 0.000 0.442 108 N N 2.564 121.512 118.700 0.414 0.000 2.675 108 N HA 0.230 4.969 4.740 -0.001 0.000 0.254 108 N C -1.348 174.192 175.510 0.051 0.000 1.224 108 N CA -0.390 52.797 53.050 0.228 0.000 0.777 108 N CB 0.487 39.115 38.487 0.235 0.000 1.256 108 N HN 0.549 nan 8.380 nan 0.000 0.531 109 H N 2.954 121.912 119.070 -0.187 0.000 2.865 109 H HA 0.392 4.948 4.556 -0.001 0.000 0.362 109 H C -2.342 172.801 175.328 -0.308 0.000 1.114 109 H CA -1.588 54.149 56.048 -0.519 0.000 1.208 109 H CB 2.803 32.103 29.762 -0.770 0.000 1.727 109 H HN 0.290 nan 8.280 nan 0.000 0.534 110 P HA -0.001 nan 4.420 nan 0.000 0.239 110 P C -0.273 176.993 177.300 -0.056 0.000 1.184 110 P CA 0.687 63.661 63.100 -0.210 0.000 0.760 110 P CB 0.241 31.791 31.700 -0.249 0.000 0.884 111 N N -0.637 118.157 118.700 0.156 0.000 2.282 111 N HA 0.281 5.020 4.740 -0.001 0.000 0.240 111 N C -0.190 175.339 175.510 0.031 0.000 1.182 111 N CA -0.128 52.983 53.050 0.102 0.000 0.874 111 N CB 0.452 38.985 38.487 0.076 0.000 1.126 111 N HN 0.118 nan 8.380 nan 0.000 0.516 112 I N 0.817 121.415 120.570 0.047 0.000 2.533 112 I HA 0.222 4.391 4.170 -0.001 0.000 0.290 112 I C -0.144 175.982 176.117 0.016 0.000 1.056 112 I CA -1.419 59.886 61.300 0.009 0.000 1.057 112 I CB 2.212 40.227 38.000 0.025 0.000 1.240 112 I HN -0.165 nan 8.210 nan 0.000 0.423 113 V N 5.241 125.151 119.914 -0.007 0.000 2.599 113 V HA 0.203 4.322 4.120 -0.001 0.000 0.300 113 V C 0.215 176.262 176.094 -0.079 0.000 1.034 113 V CA 0.023 62.305 62.300 -0.031 0.000 1.115 113 V CB 0.738 32.538 31.823 -0.039 0.000 0.934 113 V HN 0.667 nan 8.190 nan 0.000 0.485 114 K N 4.304 124.619 120.400 -0.142 0.000 2.249 114 K HA 0.351 4.670 4.320 -0.001 0.000 0.280 114 K C -0.582 175.672 176.600 -0.578 0.000 1.033 114 K CA -0.642 55.487 56.287 -0.262 0.000 0.946 114 K CB 1.382 33.781 32.500 -0.168 0.000 1.005 114 K HN 0.830 nan 8.250 nan 0.000 0.469 115 L N 4.302 125.330 121.223 -0.325 0.000 2.319 115 L HA 0.168 4.508 4.340 -0.001 0.000 0.280 115 L C 0.122 176.959 176.870 -0.055 0.000 1.099 115 L CA 0.539 55.226 54.840 -0.255 0.000 0.828 115 L CB 0.259 42.210 42.059 -0.181 0.000 1.150 115 L HN 0.578 nan 8.230 nan 0.000 0.442 116 F N 1.691 121.786 119.950 0.242 0.000 2.553 116 F HA 0.380 4.906 4.527 -0.001 0.000 0.282 116 F C 0.815 176.809 175.800 0.324 0.000 1.089 116 F CA -0.208 57.941 58.000 0.249 0.000 1.411 116 F CB 0.126 39.198 39.000 0.119 0.000 1.125 116 F HN 0.489 nan 8.300 nan 0.000 0.610 117 E N -0.275 120.191 120.200 0.442 0.000 2.392 117 E HA 0.488 4.837 4.350 -0.001 0.000 0.279 117 E C -1.812 174.911 176.600 0.206 0.000 0.964 117 E CA -0.682 55.940 56.400 0.370 0.000 0.777 117 E CB 3.090 32.998 29.700 0.348 0.000 1.249 117 E HN -0.178 nan 8.360 nan 0.000 0.449 118 V N 4.261 124.280 119.914 0.175 0.000 2.656 118 V HA 0.641 4.761 4.120 -0.001 0.000 0.307 118 V C -1.370 174.788 176.094 0.107 0.000 1.051 118 V CA -0.422 61.925 62.300 0.079 0.000 0.893 118 V CB 1.394 33.190 31.823 -0.045 0.000 0.999 118 V HN 0.606 nan 8.190 nan 0.000 0.426 119 I N 5.765 126.411 120.570 0.127 0.000 2.410 119 I HA 0.538 4.707 4.170 -0.001 0.000 0.286 119 I C -0.223 176.002 176.117 0.179 0.000 1.009 119 I CA -0.491 60.887 61.300 0.130 0.000 1.111 119 I CB 1.774 39.804 38.000 0.050 0.000 1.262 119 I HN 0.642 nan 8.210 nan 0.000 0.443 120 E N 4.847 125.115 120.200 0.113 0.000 2.191 120 E HA 0.551 4.900 4.350 -0.001 0.000 0.278 120 E C -0.359 176.315 176.600 0.124 0.000 0.972 120 E CA -0.560 55.900 56.400 0.099 0.000 0.804 120 E CB 2.432 32.152 29.700 0.033 0.000 1.110 120 E HN 0.683 nan 8.360 nan 0.000 0.394 121 T N -1.336 113.298 114.554 0.133 0.000 2.865 121 T HA 0.236 4.585 4.350 -0.001 0.000 0.294 121 T C 0.778 175.532 174.700 0.090 0.000 1.119 121 T CA -0.784 61.390 62.100 0.123 0.000 1.007 121 T CB 1.598 70.569 68.868 0.172 0.000 1.225 121 T HN 0.390 nan 8.240 nan 0.000 0.515 122 E N 0.320 120.566 120.200 0.077 0.000 2.058 122 E HA -0.145 4.204 4.350 -0.001 0.000 0.194 122 E C 1.780 178.411 176.600 0.053 0.000 0.997 122 E CA 1.378 57.816 56.400 0.063 0.000 0.801 122 E CB -0.001 29.731 29.700 0.052 0.000 0.746 122 E HN 0.566 nan 8.360 nan 0.000 0.450 123 K N -0.306 120.123 120.400 0.048 0.000 2.284 123 K HA 0.059 4.378 4.320 -0.001 0.000 0.198 123 K C 0.347 176.946 176.600 -0.002 0.000 1.048 123 K CA 0.682 56.983 56.287 0.024 0.000 0.987 123 K CB 0.751 33.266 32.500 0.024 0.000 0.800 123 K HN 0.012 nan 8.250 nan 0.000 0.486 124 T N 1.349 115.903 114.554 -0.000 0.000 2.886 124 T HA 0.422 4.771 4.350 -0.001 0.000 0.292 124 T C -1.288 173.355 174.700 -0.095 0.000 1.012 124 T CA -0.771 61.264 62.100 -0.107 0.000 0.982 124 T CB 2.162 70.910 68.868 -0.201 0.000 1.018 124 T HN -0.114 nan 8.240 nan 0.000 0.451 125 L N 3.074 124.185 121.223 -0.186 0.000 2.341 125 L HA 0.652 4.991 4.340 -0.001 0.000 0.278 125 L C -1.845 174.913 176.870 -0.185 0.000 1.005 125 L CA -0.768 54.016 54.840 -0.093 0.000 0.818 125 L CB 0.800 42.816 42.059 -0.071 0.000 1.259 125 L HN 0.636 nan 8.230 nan 0.000 0.418 126 Y N 5.651 125.935 120.300 -0.026 0.000 2.328 126 Y HA 0.602 5.152 4.550 -0.001 0.000 0.336 126 Y C -0.765 175.106 175.900 -0.049 0.000 0.960 126 Y CA -1.004 57.076 58.100 -0.033 0.000 1.134 126 Y CB 1.429 39.879 38.460 -0.017 0.000 1.166 126 Y HN 0.289 nan 8.280 nan 0.000 0.464 127 L N 4.731 125.987 121.223 0.056 0.000 2.276 127 L HA 0.476 4.815 4.340 -0.001 0.000 0.286 127 L C -0.515 176.347 176.870 -0.013 0.000 1.024 127 L CA -0.916 53.922 54.840 -0.002 0.000 0.826 127 L CB 1.325 43.354 42.059 -0.050 0.000 1.211 127 L HN 0.378 nan 8.230 nan 0.000 0.422 128 V N 5.558 125.468 119.914 -0.007 0.000 2.383 128 V HA 0.608 4.727 4.120 -0.001 0.000 0.275 128 V C 0.432 176.545 176.094 0.031 0.000 1.036 128 V CA -0.425 61.856 62.300 -0.032 0.000 0.889 128 V CB 1.092 32.867 31.823 -0.081 0.000 0.985 128 V HN 0.852 nan 8.190 nan 0.000 0.459 129 M N 2.192 121.799 119.600 0.011 0.000 2.704 129 M HA 0.694 5.173 4.480 -0.001 0.000 0.284 129 M C -0.400 175.909 176.300 0.014 0.000 1.275 129 M CA -0.844 54.373 55.300 -0.138 0.000 0.811 129 M CB 2.116 34.628 32.600 -0.147 0.000 1.741 129 M HN 0.536 nan 8.290 nan 0.000 0.458 130 E N 0.979 121.075 120.200 -0.173 0.000 2.415 130 E HA 0.052 4.401 4.350 -0.001 0.000 0.262 130 E C -1.959 174.743 176.600 0.171 0.000 1.038 130 E CA -0.192 56.295 56.400 0.145 0.000 0.921 130 E CB 0.669 30.380 29.700 0.019 0.000 0.950 130 E HN 0.546 nan 8.360 nan 0.000 0.438 131 Y N 2.826 123.166 120.300 0.066 0.000 2.331 131 Y HA 0.500 5.050 4.550 -0.001 0.000 0.338 131 Y C -0.998 174.923 175.900 0.036 0.000 0.992 131 Y CA -1.116 57.006 58.100 0.037 0.000 1.121 131 Y CB 1.347 39.828 38.460 0.035 0.000 1.184 131 Y HN 0.488 nan 8.280 nan 0.000 0.469 132 A N 4.155 126.725 122.820 -0.417 0.000 2.273 132 A HA 0.424 4.743 4.320 -0.001 0.000 0.320 132 A C 0.492 177.639 177.584 -0.728 0.000 1.358 132 A CA -0.052 51.729 52.037 -0.427 0.000 0.910 132 A CB -0.161 18.729 19.000 -0.184 0.000 1.159 132 A HN 0.937 nan 8.150 nan 0.000 0.526 133 S N 1.649 116.884 115.700 -0.775 0.000 2.603 133 S HA 0.065 4.534 4.470 -0.001 0.000 0.220 133 S C 1.320 175.780 174.600 -0.234 0.000 0.967 133 S CA 0.676 58.474 58.200 -0.671 0.000 0.920 133 S CB 0.110 63.091 63.200 -0.365 0.000 0.773 133 S HN 0.933 nan 8.310 nan 0.000 0.529 134 G N 0.779 109.473 108.800 -0.177 0.000 2.985 134 G HA2 0.479 4.438 3.960 -0.001 0.000 0.209 134 G HA3 0.479 4.438 3.960 -0.001 0.000 0.209 134 G C 0.920 175.807 174.900 -0.022 0.000 1.165 134 G CA 0.012 45.075 45.100 -0.061 0.000 0.776 134 G HN 1.043 nan 8.290 nan 0.000 0.541 135 G N 0.116 108.887 108.800 -0.048 0.000 2.697 135 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.240 135 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.240 135 G C -0.235 174.674 174.900 0.014 0.000 1.346 135 G CA -0.191 44.904 45.100 -0.007 0.000 0.887 135 G HN 0.509 nan 8.290 nan 0.000 0.569 136 E N -1.142 119.080 120.200 0.036 0.000 2.349 136 E HA 0.424 4.774 4.350 -0.001 0.000 0.262 136 E C 1.447 178.127 176.600 0.132 0.000 1.088 136 E CA -0.414 56.024 56.400 0.063 0.000 0.899 136 E CB 1.709 31.439 29.700 0.051 0.000 1.044 136 E HN 0.333 nan 8.360 nan 0.000 0.420 137 V N 1.925 121.911 119.914 0.121 0.000 2.307 137 V HA -0.237 3.882 4.120 -0.001 0.000 0.245 137 V C 1.780 178.027 176.094 0.255 0.000 1.045 137 V CA 1.594 63.971 62.300 0.128 0.000 1.024 137 V CB -0.553 31.301 31.823 0.051 0.000 0.651 137 V HN 0.699 nan 8.190 nan 0.000 0.449 138 F N 2.081 122.078 119.950 0.077 0.000 2.039 138 F HA -0.317 4.209 4.527 -0.001 0.000 0.296 138 F C 2.184 178.050 175.800 0.110 0.000 1.119 138 F CA 2.299 60.357 58.000 0.096 0.000 1.211 138 F CB -1.012 38.036 39.000 0.080 0.000 0.956 138 F HN 0.283 nan 8.300 nan 0.000 0.496 139 D N -0.628 120.100 120.400 0.548 0.000 2.120 139 D HA -0.295 4.344 4.640 -0.001 0.000 0.191 139 D C 2.130 178.607 176.300 0.295 0.000 0.994 139 D CA 2.099 56.306 54.000 0.344 0.000 0.838 139 D CB -1.389 39.489 40.800 0.129 0.000 0.976 139 D HN 0.470 nan 8.370 nan 0.000 0.447 140 Y N 1.124 121.498 120.300 0.123 0.000 2.062 140 Y HA -0.305 4.244 4.550 -0.001 0.000 0.273 140 Y C 2.239 178.200 175.900 0.101 0.000 1.206 140 Y CA 1.448 59.588 58.100 0.068 0.000 1.125 140 Y CB -0.554 37.913 38.460 0.012 0.000 0.951 140 Y HN -0.057 nan 8.280 nan 0.000 0.501 141 L N -0.768 120.714 121.223 0.431 0.000 2.013 141 L HA -0.214 4.125 4.340 -0.001 0.000 0.212 141 L C 2.744 179.713 176.870 0.164 0.000 1.073 141 L CA 1.772 56.777 54.840 0.275 0.000 0.753 141 L CB -1.639 40.503 42.059 0.138 0.000 0.890 141 L HN 0.329 nan 8.230 nan 0.000 0.432 142 V N -0.712 119.303 119.914 0.167 0.000 2.453 142 V HA -0.193 3.927 4.120 -0.001 0.000 0.247 142 V C 2.574 178.724 176.094 0.094 0.000 1.048 142 V CA 1.420 63.797 62.300 0.128 0.000 1.049 142 V CB -0.183 31.762 31.823 0.204 0.000 0.672 142 V HN 0.469 nan 8.190 nan 0.000 0.457 143 A N -1.148 121.725 122.820 0.088 0.000 1.877 143 A HA -0.242 4.078 4.320 -0.001 0.000 0.216 143 A C 1.937 179.541 177.584 0.034 0.000 1.186 143 A CA 2.205 54.270 52.037 0.046 0.000 0.620 143 A CB -0.703 18.312 19.000 0.025 0.000 0.822 143 A HN 0.723 nan 8.150 nan 0.000 0.443 144 H N -1.592 117.393 119.070 -0.141 0.000 2.575 144 H HA 0.403 4.958 4.556 -0.001 0.000 0.267 144 H C 1.275 176.589 175.328 -0.024 0.000 0.966 144 H CA 0.323 56.307 56.048 -0.108 0.000 1.165 144 H CB 0.122 29.781 29.762 -0.172 0.000 1.433 144 H HN 0.768 nan 8.280 nan 0.000 0.544 145 G N 1.230 110.068 108.800 0.063 0.000 2.796 145 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.226 145 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.226 145 G C -0.124 174.807 174.900 0.051 0.000 1.381 145 G CA -0.382 44.731 45.100 0.023 0.000 0.867 145 G HN 0.626 nan 8.290 nan 0.000 0.552 146 R N -0.884 119.598 120.500 -0.029 0.000 2.829 146 R HA 0.191 4.530 4.340 -0.001 0.000 0.267 146 R C 0.608 176.910 176.300 0.002 0.000 0.985 146 R CA 0.532 56.601 56.100 -0.051 0.000 1.128 146 R CB 0.038 30.233 30.300 -0.175 0.000 1.010 146 R HN 0.538 nan 8.270 nan 0.000 0.449 147 M N 1.230 120.829 119.600 -0.002 0.000 2.314 147 M HA 0.261 4.740 4.480 -0.001 0.000 0.342 147 M C 0.153 176.442 176.300 -0.018 0.000 1.171 147 M CA -0.617 54.692 55.300 0.015 0.000 1.098 147 M CB 1.334 33.933 32.600 -0.001 0.000 1.559 147 M HN 0.372 nan 8.290 nan 0.000 0.459 148 K N 1.955 122.352 120.400 -0.005 0.000 2.380 148 K HA 0.019 4.338 4.320 -0.001 0.000 0.267 148 K C 0.808 177.432 176.600 0.039 0.000 0.990 148 K CA 0.205 56.486 56.287 -0.009 0.000 0.946 148 K CB 0.397 32.895 32.500 -0.003 0.000 0.937 148 K HN 0.682 nan 8.250 nan 0.000 0.491 149 E N 1.689 121.939 120.200 0.083 0.000 2.085 149 E HA -0.249 4.100 4.350 -0.001 0.000 0.194 149 E C 1.755 178.407 176.600 0.088 0.000 0.994 149 E CA 1.330 57.849 56.400 0.199 0.000 0.801 149 E CB 0.043 29.934 29.700 0.319 0.000 0.743 149 E HN 0.445 nan 8.360 nan 0.000 0.453 150 K N 1.086 121.487 120.400 0.002 0.000 2.034 150 K HA -0.269 4.050 4.320 -0.001 0.000 0.214 150 K C 2.143 178.720 176.600 -0.037 0.000 1.051 150 K CA 1.683 57.936 56.287 -0.057 0.000 0.931 150 K CB -0.035 32.444 32.500 -0.035 0.000 0.715 150 K HN 0.074 nan 8.250 nan 0.000 0.446 151 E N -0.429 119.769 120.200 -0.004 0.000 2.047 151 E HA -0.166 4.183 4.350 -0.001 0.000 0.191 151 E C 1.906 178.515 176.600 0.014 0.000 0.987 151 E CA 0.924 57.320 56.400 -0.005 0.000 0.799 151 E CB -0.103 29.592 29.700 -0.008 0.000 0.752 151 E HN 0.443 nan 8.360 nan 0.000 0.449 152 A N 1.721 124.579 122.820 0.062 0.000 1.948 152 A HA -0.257 4.062 4.320 -0.001 0.000 0.220 152 A C 2.152 179.871 177.584 0.225 0.000 1.177 152 A CA 1.901 54.019 52.037 0.136 0.000 0.636 152 A CB -0.611 18.508 19.000 0.199 0.000 0.815 152 A HN 0.198 nan 8.150 nan 0.000 0.449 153 R N -0.558 120.000 120.500 0.097 0.000 2.073 153 R HA 0.006 4.346 4.340 -0.001 0.000 0.229 153 R C 2.306 178.614 176.300 0.012 0.000 1.120 153 R CA 1.335 57.388 56.100 -0.079 0.000 0.967 153 R CB -0.450 29.503 30.300 -0.579 0.000 0.862 153 R HN 0.398 nan 8.270 nan 0.000 0.436 154 A N 1.355 124.181 122.820 0.010 0.000 1.883 154 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 154 A C 2.019 179.620 177.584 0.029 0.000 1.186 154 A CA 1.789 53.840 52.037 0.022 0.000 0.624 154 A CB -0.337 18.671 19.000 0.013 0.000 0.822 154 A HN 0.237 nan 8.150 nan 0.000 0.444 155 K N -1.379 119.050 120.400 0.049 0.000 2.062 155 K HA 0.054 4.373 4.320 -0.001 0.000 0.205 155 K C 1.549 178.218 176.600 0.114 0.000 1.051 155 K CA 1.086 57.402 56.287 0.048 0.000 0.941 155 K CB -0.524 31.989 32.500 0.021 0.000 0.719 155 K HN 0.441 nan 8.250 nan 0.000 0.440 156 F N 1.387 121.355 119.950 0.030 0.000 2.234 156 F HA -0.074 4.452 4.527 -0.002 0.000 0.299 156 F C 1.786 177.619 175.800 0.054 0.000 1.087 156 F CA 1.207 59.246 58.000 0.066 0.000 1.340 156 F CB 0.092 39.212 39.000 0.199 0.000 1.031 156 F HN -0.091 nan 8.300 nan 0.000 0.500 157 R N -0.290 120.241 120.500 0.052 0.000 2.081 157 R HA -0.172 4.168 4.340 -0.001 0.000 0.235 157 R C 2.203 178.443 176.300 -0.101 0.000 1.131 157 R CA 1.714 57.778 56.100 -0.059 0.000 0.960 157 R CB -0.456 29.781 30.300 -0.106 0.000 0.856 157 R HN 0.385 nan 8.270 nan 0.000 0.436 158 Q N 0.242 119.998 119.800 -0.072 0.000 2.084 158 Q HA -0.135 4.204 4.340 -0.001 0.000 0.202 158 Q C 2.090 178.008 176.000 -0.137 0.000 0.978 158 Q CA 1.352 57.115 55.803 -0.066 0.000 0.844 158 Q CB -0.045 28.669 28.738 -0.040 0.000 0.898 158 Q HN 0.366 nan 8.270 nan 0.000 0.426 159 I N -0.438 120.008 120.570 -0.207 0.000 2.202 159 I HA -0.244 3.926 4.170 -0.001 0.000 0.242 159 I C 2.116 178.024 176.117 -0.347 0.000 1.091 159 I CA 0.754 61.889 61.300 -0.274 0.000 1.368 159 I CB -0.161 37.663 38.000 -0.293 0.000 1.058 159 I HN 0.032 nan 8.210 nan 0.000 0.410 160 V N -0.126 119.520 119.914 -0.446 0.000 2.343 160 V HA -0.300 3.820 4.120 -0.001 0.000 0.247 160 V C 2.600 178.574 176.094 -0.201 0.000 1.051 160 V CA 2.164 64.259 62.300 -0.341 0.000 1.036 160 V CB -0.636 30.999 31.823 -0.313 0.000 0.654 160 V HN 0.487 nan 8.190 nan 0.000 0.451 161 S N 0.013 115.620 115.700 -0.155 0.000 2.353 161 S HA -0.250 4.220 4.470 -0.001 0.000 0.222 161 S C 2.166 176.607 174.600 -0.264 0.000 1.035 161 S CA 1.956 60.111 58.200 -0.075 0.000 1.025 161 S CB -0.431 62.797 63.200 0.046 0.000 0.902 161 S HN 0.622 nan 8.310 nan 0.000 0.440 162 A N 0.935 123.461 122.820 -0.489 0.000 1.851 162 A HA -0.069 4.250 4.320 -0.001 0.000 0.216 162 A C 2.410 179.773 177.584 -0.368 0.000 1.195 162 A CA 2.194 53.786 52.037 -0.741 0.000 0.622 162 A CB -1.327 17.376 19.000 -0.495 0.000 0.831 162 A HN 0.510 nan 8.150 nan 0.000 0.444 163 V N 0.274 120.002 119.914 -0.310 0.000 2.407 163 V HA -0.262 3.857 4.120 -0.001 0.000 0.248 163 V C 2.757 178.561 176.094 -0.483 0.000 1.055 163 V CA 2.129 64.218 62.300 -0.352 0.000 1.049 163 V CB -0.810 30.816 31.823 -0.329 0.000 0.662 163 V HN 0.691 nan 8.190 nan 0.000 0.455 164 Q N -0.471 119.146 119.800 -0.304 0.000 2.119 164 Q HA -0.241 4.098 4.340 -0.001 0.000 0.201 164 Q C 2.213 178.172 176.000 -0.069 0.000 0.972 164 Q CA 1.956 57.647 55.803 -0.187 0.000 0.847 164 Q CB -0.371 28.346 28.738 -0.035 0.000 0.903 164 Q HN 0.752 nan 8.270 nan 0.000 0.433 165 Y N 0.604 120.810 120.300 -0.158 0.000 2.165 165 Y HA -0.277 4.272 4.550 -0.001 0.000 0.286 165 Y C 2.406 178.254 175.900 -0.087 0.000 1.155 165 Y CA 1.772 59.836 58.100 -0.060 0.000 1.164 165 Y CB -0.724 37.697 38.460 -0.064 0.000 0.978 165 Y HN 0.222 nan 8.280 nan 0.000 0.513 166 C N 0.128 119.288 119.300 -0.233 0.000 2.432 166 C HA -0.196 4.264 4.460 -0.001 0.000 0.277 166 C C 2.502 177.401 174.990 -0.152 0.000 1.249 166 C CA 1.546 60.410 59.018 -0.256 0.000 1.725 166 C CB -1.673 25.986 27.740 -0.135 0.000 2.028 166 C HN 0.675 nan 8.230 nan 0.000 0.477 167 H N 0.920 119.897 119.070 -0.155 0.000 2.426 167 H HA -0.201 4.354 4.556 -0.001 0.000 0.298 167 H C 2.433 177.539 175.328 -0.370 0.000 1.107 167 H CA 1.599 57.536 56.048 -0.185 0.000 1.298 167 H CB -0.180 29.517 29.762 -0.109 0.000 1.377 167 H HN 0.713 nan 8.280 nan 0.000 0.519 168 Q N 1.209 120.872 119.800 -0.230 0.000 2.378 168 Q HA -0.038 4.301 4.340 -0.001 0.000 0.205 168 Q C 1.217 176.880 176.000 -0.562 0.000 0.954 168 Q CA 0.863 56.429 55.803 -0.395 0.000 0.901 168 Q CB 0.079 28.716 28.738 -0.169 0.000 0.981 168 Q HN 0.320 nan 8.270 nan 0.000 0.483 169 K N 0.137 120.293 120.400 -0.407 0.000 2.437 169 K HA 0.099 4.419 4.320 -0.001 0.000 0.198 169 K C -0.781 175.818 176.600 -0.002 0.000 1.024 169 K CA -0.132 56.028 56.287 -0.212 0.000 1.148 169 K CB 0.098 32.470 32.500 -0.213 0.000 0.860 169 K HN 0.155 nan 8.250 nan 0.000 0.515 170 F N -0.172 119.771 119.950 -0.013 0.000 3.034 170 F HA -0.247 4.279 4.527 -0.002 0.000 0.286 170 F C 0.065 175.867 175.800 0.003 0.000 0.804 170 F CA 0.257 58.256 58.000 -0.001 0.000 1.161 170 F CB -2.186 36.809 39.000 -0.010 0.000 1.317 170 F HN 0.048 nan 8.300 nan 0.000 0.453 171 I N 0.830 121.451 120.570 0.085 0.000 2.315 171 I HA 0.412 4.581 4.170 -0.001 0.000 0.291 171 I C 0.125 176.318 176.117 0.127 0.000 1.006 171 I CA -0.842 60.500 61.300 0.070 0.000 1.265 171 I CB 1.398 39.400 38.000 0.004 0.000 1.387 171 I HN -0.026 nan 8.210 nan 0.000 0.475 172 V N 6.337 126.324 119.914 0.122 0.000 2.547 172 V HA 0.263 4.382 4.120 -0.001 0.000 0.299 172 V C 0.801 176.973 176.094 0.130 0.000 1.040 172 V CA -0.113 62.292 62.300 0.176 0.000 0.913 172 V CB 1.641 33.520 31.823 0.092 0.000 0.992 172 V HN 0.764 nan 8.190 nan 0.000 0.449 173 H N 4.800 123.932 119.070 0.104 0.000 2.317 173 H HA 0.103 4.658 4.556 -0.001 0.000 0.304 173 H C 1.891 177.267 175.328 0.080 0.000 1.067 173 H CA 1.980 58.067 56.048 0.066 0.000 1.352 173 H CB 0.407 30.194 29.762 0.043 0.000 1.398 173 H HN 0.877 nan 8.280 nan 0.000 0.510 174 R N -0.427 120.246 120.500 0.287 0.000 3.428 174 R HA -0.156 4.183 4.340 -0.001 0.000 0.404 174 R C -0.960 175.542 176.300 0.337 0.000 0.489 174 R CA 1.602 57.850 56.100 0.246 0.000 1.482 174 R CB -1.273 29.131 30.300 0.174 0.000 1.960 174 R HN 0.553 nan 8.270 nan 0.000 0.331 175 D N 0.302 120.936 120.400 0.390 0.000 2.849 175 D HA 0.167 4.806 4.640 -0.001 0.000 0.314 175 D C -0.500 175.921 176.300 0.201 0.000 1.210 175 D CA -0.581 53.598 54.000 0.299 0.000 0.756 175 D CB 0.208 41.140 40.800 0.220 0.000 1.222 175 D HN -0.056 nan 8.370 nan 0.000 0.521 176 L N 0.934 122.182 121.223 0.040 0.000 2.559 176 L HA 0.245 4.584 4.340 -0.001 0.000 0.282 176 L C 0.536 177.243 176.870 -0.271 0.000 1.232 176 L CA 1.084 55.754 54.840 -0.284 0.000 0.885 176 L CB -0.326 41.602 42.059 -0.217 0.000 1.131 176 L HN 0.322 nan 8.230 nan 0.000 0.498 177 K N 1.491 121.621 120.400 -0.449 0.000 2.556 177 K HA 0.499 4.818 4.320 -0.001 0.000 0.289 177 K C 0.501 176.774 176.600 -0.545 0.000 1.040 177 K CA -0.272 55.486 56.287 -0.881 0.000 0.894 177 K CB 1.190 33.393 32.500 -0.494 0.000 1.547 177 K HN 0.380 nan 8.250 nan 0.000 0.417 178 A N 0.946 123.497 122.820 -0.449 0.000 1.859 178 A HA -0.228 4.091 4.320 -0.001 0.000 0.217 178 A C 1.588 179.203 177.584 0.052 0.000 1.198 178 A CA 2.330 54.389 52.037 0.038 0.000 0.629 178 A CB -0.737 18.511 19.000 0.413 0.000 0.830 178 A HN 0.818 nan 8.150 nan 0.000 0.446 179 E N 0.258 120.478 120.200 0.033 0.000 2.236 179 E HA -0.245 4.104 4.350 -0.001 0.000 0.205 179 E C 1.485 178.068 176.600 -0.028 0.000 1.028 179 E CA 2.014 58.406 56.400 -0.013 0.000 0.827 179 E CB -0.587 29.096 29.700 -0.027 0.000 0.735 179 E HN 0.851 nan 8.360 nan 0.000 0.470 180 N N -0.717 117.946 118.700 -0.062 0.000 2.412 180 N HA 0.080 4.819 4.740 -0.001 0.000 0.184 180 N C -0.503 174.968 175.510 -0.065 0.000 1.101 180 N CA -0.088 52.922 53.050 -0.066 0.000 0.881 180 N CB 0.289 38.692 38.487 -0.140 0.000 0.969 180 N HN 0.057 nan 8.380 nan 0.000 0.459 181 L N 2.033 123.228 121.223 -0.047 0.000 2.277 181 L HA 0.431 4.771 4.340 -0.001 0.000 0.284 181 L C -0.515 176.346 176.870 -0.015 0.000 1.028 181 L CA -0.328 54.491 54.840 -0.035 0.000 0.835 181 L CB 0.926 42.972 42.059 -0.022 0.000 1.215 181 L HN -0.045 nan 8.230 nan 0.000 0.425 182 L N 3.690 124.897 121.223 -0.027 0.000 2.331 182 L HA 0.652 4.991 4.340 -0.001 0.000 0.268 182 L C -0.369 176.478 176.870 -0.039 0.000 1.015 182 L CA -0.902 53.921 54.840 -0.029 0.000 0.807 182 L CB 2.117 44.152 42.059 -0.040 0.000 1.293 182 L HN 0.452 nan 8.230 nan 0.000 0.451 183 L N 0.563 121.758 121.223 -0.047 0.000 2.362 183 L HA 0.373 4.713 4.340 -0.001 0.000 0.271 183 L C -0.804 176.022 176.870 -0.074 0.000 1.002 183 L CA -0.880 53.929 54.840 -0.051 0.000 0.818 183 L CB 2.109 44.150 42.059 -0.030 0.000 1.298 183 L HN 0.624 nan 8.230 nan 0.000 0.420 184 D N 1.709 122.073 120.400 -0.060 0.000 2.506 184 D HA 0.283 4.922 4.640 -0.001 0.000 0.272 184 D C 0.994 177.263 176.300 -0.050 0.000 1.214 184 D CA -0.132 53.828 54.000 -0.067 0.000 1.067 184 D CB 1.014 41.798 40.800 -0.027 0.000 1.117 184 D HN 0.492 nan 8.370 nan 0.000 0.578 185 A N -0.118 122.679 122.820 -0.039 0.000 1.917 185 A HA -0.203 4.116 4.320 -0.001 0.000 0.219 185 A C 1.390 178.975 177.584 0.002 0.000 1.182 185 A CA 1.833 53.863 52.037 -0.013 0.000 0.633 185 A CB -0.697 18.309 19.000 0.010 0.000 0.819 185 A HN 0.634 nan 8.150 nan 0.000 0.448 186 D N -1.033 119.369 120.400 0.003 0.000 2.325 186 D HA 0.172 4.811 4.640 -0.001 0.000 0.225 186 D C 0.330 176.626 176.300 -0.006 0.000 1.096 186 D CA 0.187 54.189 54.000 0.004 0.000 0.844 186 D CB 0.236 41.040 40.800 0.007 0.000 0.925 186 D HN 0.338 nan 8.370 nan 0.000 0.513 187 M N 0.054 119.646 119.600 -0.014 0.000 2.936 187 M HA -0.182 4.298 4.480 -0.001 0.000 0.216 187 M C -0.606 175.665 176.300 -0.048 0.000 0.544 187 M CA 0.433 55.714 55.300 -0.032 0.000 0.774 187 M CB -1.934 30.649 32.600 -0.028 0.000 2.799 187 M HN 0.060 nan 8.290 nan 0.000 0.474 188 N N 0.968 119.648 118.700 -0.034 0.000 2.515 188 N HA 0.431 5.171 4.740 -0.001 0.000 0.279 188 N C 0.303 175.789 175.510 -0.040 0.000 1.164 188 N CA -0.453 52.577 53.050 -0.034 0.000 0.982 188 N CB 1.017 39.491 38.487 -0.020 0.000 1.170 188 N HN 0.197 nan 8.380 nan 0.000 0.474 189 I N 1.593 122.138 120.570 -0.040 0.000 2.648 189 I HA -0.000 4.169 4.170 -0.001 0.000 0.284 189 I C 0.597 176.693 176.117 -0.035 0.000 1.153 189 I CA 0.494 61.769 61.300 -0.043 0.000 1.426 189 I CB -0.072 37.898 38.000 -0.049 0.000 1.381 189 I HN 0.154 nan 8.210 nan 0.000 0.571 190 K N 7.393 127.771 120.400 -0.037 0.000 2.463 190 K HA 0.538 4.857 4.320 -0.001 0.000 0.255 190 K C -0.643 175.935 176.600 -0.037 0.000 0.942 190 K CA -0.612 55.657 56.287 -0.029 0.000 0.814 190 K CB 2.488 34.972 32.500 -0.026 0.000 1.122 190 K HN 0.435 nan 8.250 nan 0.000 0.425 191 I N 2.374 122.921 120.570 -0.039 0.000 2.365 191 I HA 0.217 4.386 4.170 -0.001 0.000 0.291 191 I C 0.813 176.924 176.117 -0.011 0.000 1.004 191 I CA -0.435 60.840 61.300 -0.042 0.000 1.311 191 I CB 1.543 39.504 38.000 -0.064 0.000 1.401 191 I HN 0.620 nan 8.210 nan 0.000 0.491 207 D N 3.599 123.995 120.400 -0.006 0.000 2.837 207 D HA 0.629 5.268 4.640 -0.001 0.000 0.294 207 D C 0.797 177.000 176.300 -0.161 0.000 1.158 207 D CA -0.069 53.886 54.000 -0.075 0.000 1.073 207 D CB 1.025 41.803 40.800 -0.038 0.000 1.419 207 D HN 0.409 nan 8.370 nan 0.000 0.584 208 A N -1.100 121.491 122.820 -0.382 0.000 2.259 208 A HA 0.045 4.364 4.320 -0.001 0.000 0.212 208 A C 0.939 178.217 177.584 -0.509 0.000 1.178 208 A CA 0.803 52.547 52.037 -0.489 0.000 0.734 208 A CB -1.088 17.564 19.000 -0.581 0.000 0.774 208 A HN 0.424 nan 8.150 nan 0.000 0.481 209 F N -1.300 118.681 119.950 0.051 0.000 2.731 209 F HA 0.178 4.705 4.527 -0.001 0.000 0.298 209 F C 1.142 176.995 175.800 0.089 0.000 1.106 209 F CA -1.336 56.703 58.000 0.065 0.000 1.329 209 F CB -0.927 38.105 39.000 0.054 0.000 1.100 209 F HN -0.008 nan 8.300 nan 0.000 0.592 210 C N 1.575 120.986 119.300 0.185 0.000 2.634 210 C HA 0.393 4.852 4.460 -0.001 0.000 0.418 210 C C 1.911 177.022 174.990 0.202 0.000 1.373 210 C CA 0.614 59.736 59.018 0.173 0.000 1.756 210 C CB -0.369 27.439 27.740 0.113 0.000 2.589 210 C HN 0.946 nan 8.230 nan 0.000 0.602 211 G N 2.196 111.146 108.800 0.249 0.000 2.257 211 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.267 211 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.267 211 G C 1.075 176.208 174.900 0.387 0.000 0.984 211 G CA 0.752 46.050 45.100 0.329 0.000 0.626 211 G HN 1.168 nan 8.290 nan 0.000 0.540 212 A N 1.157 124.169 122.820 0.319 0.000 1.854 212 A HA 0.324 4.643 4.320 -0.001 0.000 0.214 212 A C 0.628 178.431 177.584 0.366 0.000 1.192 212 A CA 2.384 54.622 52.037 0.335 0.000 0.611 212 A CB -1.021 18.151 19.000 0.286 0.000 0.832 212 A HN 0.455 nan 8.150 nan 0.000 0.442 213 P HA -0.074 nan 4.420 nan 0.000 0.217 213 P C -1.486 175.992 177.300 0.297 0.000 1.150 213 P CA 1.427 64.704 63.100 0.296 0.000 0.832 213 P CB -0.843 31.017 31.700 0.267 0.000 0.787 214 P HA -0.168 nan 4.420 nan 0.000 0.220 214 P C 0.745 178.038 177.300 -0.013 0.000 1.144 214 P CA 1.381 64.523 63.100 0.071 0.000 0.800 214 P CB -0.594 31.058 31.700 -0.081 0.000 0.772 215 Y N -1.276 119.189 120.300 0.275 0.000 2.482 215 Y HA 0.316 4.865 4.550 -0.001 0.000 0.270 215 Y C 1.414 177.546 175.900 0.386 0.000 1.152 215 Y CA -0.445 57.841 58.100 0.310 0.000 1.292 215 Y CB -0.656 37.939 38.460 0.226 0.000 1.070 215 Y HN -0.169 nan 8.280 nan 0.000 0.528 216 A N 1.155 124.233 122.820 0.430 0.000 2.440 216 A HA 0.585 4.905 4.320 -0.001 0.000 0.251 216 A C 0.509 178.203 177.584 0.182 0.000 1.089 216 A CA -0.093 52.137 52.037 0.322 0.000 0.779 216 A CB -0.143 18.939 19.000 0.137 0.000 1.022 216 A HN 0.312 nan 8.150 nan 0.000 0.492 217 A N 3.824 126.664 122.820 0.034 0.000 2.304 217 A HA 0.638 4.958 4.320 -0.001 0.000 0.271 217 A C -1.249 176.047 177.584 -0.480 0.000 1.091 217 A CA -1.402 50.181 52.037 -0.756 0.000 0.812 217 A CB 0.037 18.747 19.000 -0.484 0.000 1.056 217 A HN 0.610 nan 8.150 nan 0.000 0.489 218 P HA -0.171 nan 4.420 nan 0.000 0.220 218 P C 0.969 178.207 177.300 -0.104 0.000 1.148 218 P CA 1.401 64.297 63.100 -0.340 0.000 0.803 218 P CB 0.023 31.431 31.700 -0.486 0.000 0.782 219 E N 0.183 120.306 120.200 -0.129 0.000 2.265 219 E HA -0.164 4.185 4.350 -0.001 0.000 0.196 219 E C 1.977 178.585 176.600 0.013 0.000 0.996 219 E CA 0.664 57.047 56.400 -0.029 0.000 0.832 219 E CB -1.264 28.420 29.700 -0.027 0.000 0.756 219 E HN 0.203 nan 8.360 nan 0.000 0.491 220 L N 0.460 121.672 121.223 -0.019 0.000 2.042 220 L HA -0.148 4.192 4.340 -0.001 0.000 0.210 220 L C 1.911 178.496 176.870 -0.476 0.000 1.076 220 L CA 1.608 56.211 54.840 -0.395 0.000 0.749 220 L CB -0.393 41.134 42.059 -0.885 0.000 0.893 220 L HN -0.034 nan 8.230 nan 0.000 0.432 221 F N -1.194 118.701 119.950 -0.092 0.000 2.797 221 F HA 0.126 4.652 4.527 -0.002 0.000 0.302 221 F C 1.853 177.609 175.800 -0.073 0.000 1.130 221 F CA 0.251 58.197 58.000 -0.091 0.000 1.387 221 F CB -0.263 38.675 39.000 -0.104 0.000 1.107 221 F HN 0.180 nan 8.300 nan 0.000 0.577 222 Q N -0.594 119.239 119.800 0.056 0.000 2.179 222 Q HA 0.285 4.625 4.340 -0.001 0.000 0.213 222 Q C 1.556 177.558 176.000 0.004 0.000 0.833 222 Q CA 0.344 56.165 55.803 0.030 0.000 0.990 222 Q CB 0.890 29.636 28.738 0.013 0.000 1.132 222 Q HN 0.378 nan 8.270 nan 0.000 0.493 223 G N 1.244 110.036 108.800 -0.014 0.000 2.168 223 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.263 223 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.263 223 G C 0.158 175.052 174.900 -0.010 0.000 0.977 223 G CA 0.243 45.332 45.100 -0.019 0.000 0.659 223 G HN 0.051 nan 8.290 nan 0.000 0.533 224 K N 0.249 120.648 120.400 -0.002 0.000 2.138 224 K HA 0.491 4.810 4.320 -0.001 0.000 0.251 224 K C 0.758 177.376 176.600 0.031 0.000 1.015 224 K CA -0.816 55.476 56.287 0.008 0.000 0.917 224 K CB 0.516 33.017 32.500 0.002 0.000 1.021 224 K HN 0.210 nan 8.250 nan 0.000 0.485 225 K N 0.428 120.843 120.400 0.025 0.000 2.440 225 K HA -0.072 4.247 4.320 -0.001 0.000 0.270 225 K C -0.667 175.983 176.600 0.083 0.000 0.980 225 K CA 0.662 56.975 56.287 0.042 0.000 0.953 225 K CB 0.034 32.543 32.500 0.016 0.000 0.925 225 K HN 0.483 nan 8.250 nan 0.000 0.497 226 Y N 2.948 123.222 120.300 -0.043 0.000 2.535 226 Y HA 0.179 4.728 4.550 -0.002 0.000 0.351 226 Y C -0.954 174.934 175.900 -0.020 0.000 1.050 226 Y CA -0.302 57.771 58.100 -0.045 0.000 1.168 226 Y CB 0.352 38.770 38.460 -0.069 0.000 1.116 226 Y HN 0.795 nan 8.280 nan 0.000 0.654 227 D N -0.511 119.858 120.400 -0.052 0.000 2.480 227 D HA 0.202 4.841 4.640 -0.001 0.000 0.276 227 D C 0.927 177.191 176.300 -0.060 0.000 1.294 227 D CA 0.055 54.041 54.000 -0.024 0.000 0.829 227 D CB -0.247 40.567 40.800 0.023 0.000 1.242 227 D HN 0.439 nan 8.370 nan 0.000 0.513 228 G N 1.624 110.362 108.800 -0.104 0.000 2.594 228 G HA2 0.349 4.308 3.960 -0.001 0.000 0.243 228 G HA3 0.349 4.308 3.960 -0.001 0.000 0.243 228 G C -1.113 173.707 174.900 -0.133 0.000 1.229 228 G CA -0.909 44.130 45.100 -0.101 0.000 0.843 228 G HN -0.079 nan 8.290 nan 0.000 0.578 229 P HA -0.138 nan 4.420 nan 0.000 0.221 229 P C 1.433 178.617 177.300 -0.194 0.000 1.145 229 P CA 1.194 64.043 63.100 -0.417 0.000 0.795 229 P CB 0.195 31.391 31.700 -0.839 0.000 0.775 230 E N 0.168 120.305 120.200 -0.105 0.000 2.333 230 E HA -0.082 4.267 4.350 -0.001 0.000 0.198 230 E C 1.912 178.540 176.600 0.047 0.000 1.007 230 E CA 0.642 57.044 56.400 0.004 0.000 0.845 230 E CB -1.440 28.262 29.700 0.003 0.000 0.766 230 E HN 0.105 nan 8.360 nan 0.000 0.507 231 V N 2.230 122.108 119.914 -0.060 0.000 2.358 231 V HA -0.223 3.896 4.120 -0.001 0.000 0.246 231 V C 1.780 177.931 176.094 0.095 0.000 1.047 231 V CA 2.290 64.518 62.300 -0.118 0.000 1.035 231 V CB -0.427 31.128 31.823 -0.446 0.000 0.658 231 V HN 0.150 nan 8.190 nan 0.000 0.452 232 D N -0.247 120.240 120.400 0.144 0.000 2.117 232 D HA -0.132 4.507 4.640 -0.001 0.000 0.197 232 D C 2.146 178.610 176.300 0.273 0.000 0.987 232 D CA 1.353 55.494 54.000 0.234 0.000 0.829 232 D CB -0.360 40.646 40.800 0.343 0.000 0.961 232 D HN 0.324 nan 8.370 nan 0.000 0.460 233 V N 0.984 121.085 119.914 0.311 0.000 2.324 233 V HA -0.234 3.885 4.120 -0.001 0.000 0.250 233 V C 2.200 178.558 176.094 0.440 0.000 1.060 233 V CA 1.565 64.108 62.300 0.406 0.000 1.042 233 V CB -0.585 31.436 31.823 0.329 0.000 0.650 233 V HN 0.412 nan 8.190 nan 0.000 0.450 234 W N 1.212 122.627 121.300 0.192 0.000 2.379 234 W HA -0.176 4.484 4.660 -0.001 0.000 0.307 234 W C 2.517 179.130 176.519 0.156 0.000 1.200 234 W CA 1.967 59.418 57.345 0.177 0.000 1.297 234 W CB -0.487 29.041 29.460 0.115 0.000 1.140 234 W HN 0.359 nan 8.180 nan 0.000 0.507 235 S N 1.449 117.382 115.700 0.388 0.000 2.370 235 S HA -0.212 4.257 4.470 -0.001 0.000 0.226 235 S C 1.780 176.446 174.600 0.110 0.000 1.033 235 S CA 1.473 59.853 58.200 0.301 0.000 1.011 235 S CB -0.754 62.634 63.200 0.313 0.000 0.852 235 S HN 0.081 nan 8.310 nan 0.000 0.457 236 L N 1.897 123.130 121.223 0.018 0.000 2.042 236 L HA -0.046 4.293 4.340 -0.001 0.000 0.210 236 L C 2.641 179.226 176.870 -0.475 0.000 1.076 236 L CA 1.774 56.524 54.840 -0.150 0.000 0.749 236 L CB -2.047 39.902 42.059 -0.184 0.000 0.893 236 L HN 0.395 nan 8.230 nan 0.000 0.432 237 G N -0.763 107.634 108.800 -0.671 0.000 2.574 237 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.220 237 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.220 237 G C 1.703 176.332 174.900 -0.452 0.000 1.173 237 G CA 1.464 46.194 45.100 -0.616 0.000 0.772 237 G HN 0.310 nan 8.290 nan 0.000 0.585 238 V N 1.049 120.772 119.914 -0.319 0.000 2.343 238 V HA -0.150 3.969 4.120 -0.001 0.000 0.247 238 V C 2.807 178.837 176.094 -0.107 0.000 1.051 238 V CA 1.669 63.826 62.300 -0.240 0.000 1.036 238 V CB -0.445 31.272 31.823 -0.176 0.000 0.654 238 V HN 0.412 nan 8.190 nan 0.000 0.451 239 I N -0.569 120.014 120.570 0.021 0.000 2.127 239 I HA -0.300 3.869 4.170 -0.001 0.000 0.241 239 I C 2.472 178.518 176.117 -0.118 0.000 1.075 239 I CA 1.649 62.997 61.300 0.080 0.000 1.334 239 I CB -0.440 37.665 38.000 0.174 0.000 1.040 239 I HN 0.253 nan 8.210 nan 0.000 0.405 240 L N -0.212 120.773 121.223 -0.396 0.000 1.978 240 L HA -0.342 3.997 4.340 -0.001 0.000 0.218 240 L C 2.755 179.325 176.870 -0.501 0.000 1.075 240 L CA 2.186 56.514 54.840 -0.852 0.000 0.767 240 L CB -0.611 40.749 42.059 -1.165 0.000 0.890 240 L HN 0.290 nan 8.230 nan 0.000 0.434 241 Y N 0.910 120.902 120.300 -0.515 0.000 2.165 241 Y HA -0.333 4.216 4.550 -0.001 0.000 0.286 241 Y C 2.903 178.620 175.900 -0.304 0.000 1.155 241 Y CA 2.576 60.410 58.100 -0.443 0.000 1.164 241 Y CB -0.513 37.624 38.460 -0.538 0.000 0.978 241 Y HN 0.466 nan 8.280 nan 0.000 0.513 242 T N -1.691 112.845 114.554 -0.030 0.000 2.777 242 T HA -0.212 4.137 4.350 -0.001 0.000 0.266 242 T C 2.054 176.695 174.700 -0.099 0.000 1.040 242 T CA 1.583 63.659 62.100 -0.039 0.000 1.141 242 T CB -1.021 67.841 68.868 -0.009 0.000 0.868 242 T HN 0.402 nan 8.240 nan 0.000 0.444 243 L N 1.544 122.704 121.223 -0.106 0.000 2.021 243 L HA -0.124 4.215 4.340 -0.001 0.000 0.215 243 L C 2.997 179.797 176.870 -0.117 0.000 1.074 243 L CA 2.037 56.822 54.840 -0.092 0.000 0.760 243 L CB -0.871 41.133 42.059 -0.091 0.000 0.889 243 L HN 0.428 nan 8.230 nan 0.000 0.433 244 V N -5.020 114.771 119.914 -0.205 0.000 3.354 244 V HA 0.046 4.165 4.120 -0.001 0.000 0.258 244 V C 2.085 178.086 176.094 -0.154 0.000 1.159 244 V CA 1.109 63.305 62.300 -0.173 0.000 1.125 244 V CB 0.466 32.160 31.823 -0.215 0.000 0.774 244 V HN 0.461 nan 8.190 nan 0.000 0.464 245 S N -0.313 115.236 115.700 -0.252 0.000 2.524 245 S HA 0.413 4.883 4.470 -0.001 0.000 0.222 245 S C 1.775 176.323 174.600 -0.087 0.000 1.040 245 S CA 0.957 59.049 58.200 -0.180 0.000 0.915 245 S CB 0.431 63.298 63.200 -0.555 0.000 0.831 245 S HN 1.876 nan 8.310 nan 0.000 0.492 246 G N 1.203 109.947 108.800 -0.093 0.000 2.176 246 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.252 246 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.252 246 G C 0.094 174.966 174.900 -0.047 0.000 1.024 246 G CA 0.519 45.587 45.100 -0.053 0.000 0.755 246 G HN 1.793 nan 8.290 nan 0.000 0.507 247 S N -1.940 113.746 115.700 -0.023 0.000 2.636 247 S HA 0.756 5.225 4.470 -0.001 0.000 0.268 247 S C -0.607 174.025 174.600 0.054 0.000 1.159 247 S CA -1.088 57.107 58.200 -0.008 0.000 0.815 247 S CB 1.649 64.860 63.200 0.019 0.000 1.130 247 S HN 0.837 nan 8.310 nan 0.000 0.471 248 L N 1.803 122.998 121.223 -0.046 0.000 2.350 248 L HA 0.449 4.789 4.340 -0.001 0.000 0.275 248 L C -1.291 175.350 176.870 -0.383 0.000 1.099 248 L CA -1.965 52.772 54.840 -0.171 0.000 0.808 248 L CB 0.806 42.750 42.059 -0.192 0.000 1.149 248 L HN 0.594 nan 8.230 nan 0.000 0.442 249 P HA -0.037 nan 4.420 nan 0.000 0.227 249 P C -0.257 176.355 177.300 -1.145 0.000 1.161 249 P CA 0.978 63.155 63.100 -1.538 0.000 0.788 249 P CB 0.253 30.576 31.700 -2.295 0.000 0.822 250 F N 0.095 119.882 119.950 -0.272 0.000 2.507 250 F HA 0.558 5.084 4.527 -0.001 0.000 0.328 250 F C 0.221 175.962 175.800 -0.099 0.000 1.136 250 F CA -0.890 57.037 58.000 -0.121 0.000 0.930 250 F CB 1.524 40.508 39.000 -0.027 0.000 1.166 250 F HN -0.264 nan 8.300 nan 0.000 0.436 251 D N 0.589 121.042 120.400 0.089 0.000 2.626 251 D HA 0.802 5.441 4.640 -0.001 0.000 0.278 251 D C -0.631 175.694 176.300 0.043 0.000 1.211 251 D CA -0.322 53.705 54.000 0.045 0.000 0.903 251 D CB 2.692 43.495 40.800 0.005 0.000 1.408 251 D HN 0.768 nan 8.370 nan 0.000 0.454 252 G N -0.185 108.634 108.800 0.032 0.000 2.451 252 G HA2 0.234 4.194 3.960 -0.001 0.000 0.292 252 G HA3 0.234 4.194 3.960 -0.001 0.000 0.292 252 G C -0.509 174.404 174.900 0.023 0.000 1.427 252 G CA -0.385 44.727 45.100 0.019 0.000 0.792 252 G HN 0.345 nan 8.290 nan 0.000 0.498 253 Q N -0.653 119.157 119.800 0.016 0.000 2.472 253 Q HA 0.170 4.509 4.340 -0.001 0.000 0.208 253 Q C 0.570 176.581 176.000 0.019 0.000 0.958 253 Q CA 1.215 57.030 55.803 0.020 0.000 0.932 253 Q CB 0.092 28.840 28.738 0.016 0.000 1.007 253 Q HN 0.643 nan 8.270 nan 0.000 0.508 254 N N -3.497 115.210 118.700 0.011 0.000 3.179 254 N HA 0.114 4.853 4.740 -0.001 0.000 0.250 254 N C -0.122 175.386 175.510 -0.004 0.000 1.507 254 N CA -0.738 52.318 53.050 0.009 0.000 0.883 254 N CB 0.068 38.555 38.487 0.000 0.000 1.435 254 N HN -0.262 nan 8.380 nan 0.000 0.532 255 L N -0.225 120.997 121.223 -0.002 0.000 2.013 255 L HA -0.175 4.165 4.340 -0.001 0.000 0.212 255 L C 2.299 179.122 176.870 -0.079 0.000 1.073 255 L CA 1.917 56.749 54.840 -0.014 0.000 0.753 255 L CB -0.721 41.348 42.059 0.016 0.000 0.890 255 L HN 0.817 nan 8.230 nan 0.000 0.432 256 K N 0.291 120.654 120.400 -0.063 0.000 2.032 256 K HA -0.244 4.075 4.320 -0.001 0.000 0.209 256 K C 2.008 178.543 176.600 -0.107 0.000 1.048 256 K CA 1.730 57.966 56.287 -0.085 0.000 0.927 256 K CB -0.030 32.439 32.500 -0.052 0.000 0.712 256 K HN 0.291 nan 8.250 nan 0.000 0.441 257 E N 0.617 120.774 120.200 -0.072 0.000 2.051 257 E HA -0.184 4.165 4.350 -0.001 0.000 0.192 257 E C 2.128 178.677 176.600 -0.084 0.000 0.991 257 E CA 0.723 57.087 56.400 -0.059 0.000 0.799 257 E CB -0.047 29.637 29.700 -0.027 0.000 0.748 257 E HN 0.270 nan 8.360 nan 0.000 0.449 258 L N 1.471 122.640 121.223 -0.091 0.000 2.013 258 L HA -0.240 4.099 4.340 -0.001 0.000 0.212 258 L C 2.577 179.282 176.870 -0.276 0.000 1.073 258 L CA 1.870 56.647 54.840 -0.106 0.000 0.753 258 L CB -0.705 41.320 42.059 -0.058 0.000 0.890 258 L HN 0.177 nan 8.230 nan 0.000 0.432 259 R N -0.035 120.178 120.500 -0.478 0.000 2.081 259 R HA -0.195 4.144 4.340 -0.001 0.000 0.235 259 R C 2.242 178.273 176.300 -0.448 0.000 1.131 259 R CA 2.003 57.603 56.100 -0.833 0.000 0.960 259 R CB -0.160 29.599 30.300 -0.900 0.000 0.856 259 R HN 0.586 nan 8.270 nan 0.000 0.436 260 E N 1.015 121.063 120.200 -0.253 0.000 2.077 260 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 260 E C 2.006 178.546 176.600 -0.100 0.000 0.989 260 E CA 1.496 57.807 56.400 -0.147 0.000 0.800 260 E CB -0.424 29.222 29.700 -0.089 0.000 0.746 260 E HN 0.410 nan 8.360 nan 0.000 0.452 261 R N -0.293 120.169 120.500 -0.063 0.000 2.080 261 R HA -0.064 4.275 4.340 -0.001 0.000 0.236 261 R C 2.589 178.862 176.300 -0.045 0.000 1.137 261 R CA 1.516 57.651 56.100 0.058 0.000 0.943 261 R CB -0.836 29.567 30.300 0.172 0.000 0.846 261 R HN 0.368 nan 8.270 nan 0.000 0.431 262 V N 0.894 120.649 119.914 -0.265 0.000 2.295 262 V HA -0.243 3.877 4.120 -0.001 0.000 0.246 262 V C 2.232 178.119 176.094 -0.344 0.000 1.049 262 V CA 1.831 63.809 62.300 -0.535 0.000 1.024 262 V CB -0.502 31.093 31.823 -0.381 0.000 0.648 262 V HN 0.286 nan 8.190 nan 0.000 0.447 263 L N -0.023 121.056 121.223 -0.240 0.000 2.083 263 L HA -0.198 4.141 4.340 -0.001 0.000 0.209 263 L C 3.091 179.921 176.870 -0.067 0.000 1.083 263 L CA 1.933 56.686 54.840 -0.146 0.000 0.752 263 L CB -0.847 41.138 42.059 -0.124 0.000 0.899 263 L HN 0.409 nan 8.230 nan 0.000 0.433 264 R N 0.446 120.924 120.500 -0.036 0.000 2.148 264 R HA 0.029 4.368 4.340 -0.001 0.000 0.227 264 R C 1.979 178.337 176.300 0.097 0.000 1.103 264 R CA 1.216 57.332 56.100 0.027 0.000 0.983 264 R CB -1.602 28.721 30.300 0.038 0.000 0.874 264 R HN 0.560 nan 8.270 nan 0.000 0.451 265 G N 0.111 108.987 108.800 0.126 0.000 2.196 265 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.268 265 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.268 265 G C 0.377 175.603 174.900 0.543 0.000 0.975 265 G CA 1.129 46.419 45.100 0.316 0.000 0.648 265 G HN 1.019 nan 8.290 nan 0.000 0.538 266 K N -0.238 120.394 120.400 0.387 0.000 2.130 266 K HA 0.722 5.042 4.320 -0.001 0.000 0.268 266 K C -0.201 176.478 176.600 0.131 0.000 0.983 266 K CA -1.037 55.331 56.287 0.136 0.000 0.893 266 K CB 0.932 33.427 32.500 -0.007 0.000 1.066 266 K HN 0.807 nan 8.250 nan 0.000 0.450 267 Y N -1.762 118.484 120.300 -0.090 0.000 2.524 267 Y HA 0.656 5.205 4.550 -0.001 0.000 0.347 267 Y C -0.182 175.608 175.900 -0.182 0.000 1.005 267 Y CA -1.463 56.435 58.100 -0.337 0.000 1.025 267 Y CB 0.575 38.567 38.460 -0.780 0.000 1.275 267 Y HN 0.743 nan 8.280 nan 0.000 0.460 268 R N 2.341 122.855 120.500 0.023 0.000 2.449 268 R HA 0.477 4.817 4.340 -0.001 0.000 0.296 268 R C -0.682 175.715 176.300 0.162 0.000 1.047 268 R CA -0.195 55.933 56.100 0.046 0.000 1.018 268 R CB -0.944 29.373 30.300 0.030 0.000 0.962 268 R HN 0.789 nan 8.270 nan 0.000 0.428 269 I N 4.924 125.522 120.570 0.047 0.000 2.379 269 I HA 0.205 4.375 4.170 -0.001 0.000 0.290 269 I C -1.740 174.297 176.117 -0.134 0.000 1.063 269 I CA -1.635 59.671 61.300 0.009 0.000 1.351 269 I CB 1.589 39.571 38.000 -0.029 0.000 1.410 269 I HN 0.572 nan 8.210 nan 0.000 0.505 270 P HA 0.013 nan 4.420 nan 0.000 0.271 270 P C 0.634 177.502 177.300 -0.721 0.000 1.216 270 P CA -0.372 62.335 63.100 -0.655 0.000 0.776 270 P CB 0.334 31.311 31.700 -1.204 0.000 0.881 271 F N 2.436 122.114 119.950 -0.454 0.000 2.154 271 F HA -0.255 4.271 4.527 -0.002 0.000 0.301 271 F C 1.649 177.312 175.800 -0.227 0.000 1.087 271 F CA 1.045 58.898 58.000 -0.246 0.000 1.274 271 F CB -1.915 37.027 39.000 -0.096 0.000 1.009 271 F HN 0.360 nan 8.300 nan 0.000 0.485 272 Y N -0.278 119.547 120.300 -0.792 0.000 2.516 272 Y HA 0.203 4.752 4.550 -0.001 0.000 0.291 272 Y C 1.524 177.316 175.900 -0.181 0.000 1.131 272 Y CA -0.725 57.120 58.100 -0.424 0.000 1.281 272 Y CB -1.359 36.728 38.460 -0.622 0.000 1.013 272 Y HN 0.209 nan 8.280 nan 0.000 0.554 273 M N 2.796 122.201 119.600 -0.324 0.000 2.252 273 M HA 0.084 4.564 4.480 -0.001 0.000 0.348 273 M C 0.546 176.823 176.300 -0.037 0.000 1.334 273 M CA 0.146 55.365 55.300 -0.135 0.000 1.071 273 M CB 0.452 32.888 32.600 -0.273 0.000 1.763 273 M HN 0.473 nan 8.290 nan 0.000 0.452 274 S N 2.689 118.407 115.700 0.030 0.000 2.584 274 S HA 0.065 4.535 4.470 -0.001 0.000 0.270 274 S C 1.210 175.821 174.600 0.018 0.000 1.346 274 S CA -0.090 58.147 58.200 0.062 0.000 1.018 274 S CB 0.882 64.169 63.200 0.146 0.000 0.899 274 S HN 0.857 nan 8.310 nan 0.000 0.542 275 T N -1.589 112.987 114.554 0.037 0.000 2.951 275 T HA -0.074 4.275 4.350 -0.001 0.000 0.268 275 T C 1.012 175.732 174.700 0.032 0.000 1.073 275 T CA 1.218 63.332 62.100 0.023 0.000 1.134 275 T CB -0.583 68.304 68.868 0.033 0.000 0.884 275 T HN 0.574 nan 8.240 nan 0.000 0.479 276 D N 0.595 121.048 120.400 0.088 0.000 2.097 276 D HA -0.056 4.583 4.640 -0.001 0.000 0.195 276 D C 2.342 178.649 176.300 0.012 0.000 0.989 276 D CA 0.988 55.076 54.000 0.147 0.000 0.827 276 D CB -0.915 40.082 40.800 0.327 0.000 0.966 276 D HN 0.489 nan 8.370 nan 0.000 0.456 277 C N 1.115 120.320 119.300 -0.158 0.000 2.429 277 C HA -0.094 4.365 4.460 -0.001 0.000 0.277 277 C C 2.472 177.237 174.990 -0.375 0.000 1.262 277 C CA 0.794 59.409 59.018 -0.672 0.000 1.733 277 C CB -0.820 26.545 27.740 -0.625 0.000 2.010 277 C HN 0.267 nan 8.230 nan 0.000 0.483 278 E N 0.751 120.846 120.200 -0.176 0.000 2.118 278 E HA -0.172 4.177 4.350 -0.001 0.000 0.195 278 E C 1.798 178.383 176.600 -0.025 0.000 0.992 278 E CA 1.210 57.568 56.400 -0.070 0.000 0.804 278 E CB -0.442 29.246 29.700 -0.019 0.000 0.741 278 E HN 0.689 nan 8.360 nan 0.000 0.458 279 N N 0.791 119.476 118.700 -0.024 0.000 2.309 279 N HA -0.128 4.611 4.740 -0.001 0.000 0.182 279 N C 2.049 177.556 175.510 -0.005 0.000 1.018 279 N CA 0.359 53.412 53.050 0.005 0.000 0.876 279 N CB -0.251 38.250 38.487 0.023 0.000 0.972 279 N HN 0.241 nan 8.380 nan 0.000 0.434 280 L N 0.917 122.110 121.223 -0.050 0.000 2.005 280 L HA -0.094 4.245 4.340 -0.001 0.000 0.207 280 L C 2.156 179.056 176.870 0.050 0.000 1.072 280 L CA 0.911 55.735 54.840 -0.027 0.000 0.744 280 L CB -0.304 41.672 42.059 -0.137 0.000 0.895 280 L HN 0.100 nan 8.230 nan 0.000 0.433 281 L N -0.055 121.159 121.223 -0.015 0.000 2.043 281 L HA -0.309 4.030 4.340 -0.001 0.000 0.212 281 L C 2.526 179.463 176.870 0.112 0.000 1.075 281 L CA 1.726 56.584 54.840 0.030 0.000 0.752 281 L CB -0.486 41.498 42.059 -0.124 0.000 0.891 281 L HN 0.255 nan 8.230 nan 0.000 0.432 282 K N -0.180 120.285 120.400 0.107 0.000 2.360 282 K HA -0.166 4.153 4.320 -0.001 0.000 0.201 282 K C 1.940 178.575 176.600 0.057 0.000 1.046 282 K CA 0.950 57.306 56.287 0.115 0.000 0.945 282 K CB -0.081 32.477 32.500 0.097 0.000 0.750 282 K HN 0.290 nan 8.250 nan 0.000 0.464 283 K N -0.262 120.124 120.400 -0.023 0.000 2.228 283 K HA 0.002 4.321 4.320 -0.001 0.000 0.202 283 K C 1.451 177.935 176.600 -0.194 0.000 1.051 283 K CA 0.866 57.069 56.287 -0.140 0.000 0.960 283 K CB 0.074 32.421 32.500 -0.256 0.000 0.743 283 K HN 0.028 nan 8.250 nan 0.000 0.458 284 F N 0.801 120.762 119.950 0.018 0.000 2.147 284 F HA 0.060 4.586 4.527 -0.002 0.000 0.291 284 F C 1.064 176.841 175.800 -0.039 0.000 1.093 284 F CA 0.491 58.492 58.000 0.001 0.000 1.263 284 F CB -0.018 38.947 39.000 -0.058 0.000 1.036 284 F HN -0.193 nan 8.300 nan 0.000 0.481 285 L N 2.020 123.279 121.223 0.061 0.000 2.466 285 L HA 0.265 4.604 4.340 -0.001 0.000 0.248 285 L C -0.828 176.154 176.870 0.188 0.000 1.240 285 L CA 0.048 54.746 54.840 -0.237 0.000 1.180 285 L CB -0.663 41.190 42.059 -0.344 0.000 1.413 285 L HN 0.056 nan 8.230 nan 0.000 0.406 286 I N 0.960 121.764 120.570 0.389 0.000 2.362 286 I HA 0.124 4.294 4.170 -0.001 0.000 0.289 286 I C 1.188 177.578 176.117 0.455 0.000 0.994 286 I CA -0.488 61.026 61.300 0.357 0.000 1.158 286 I CB 2.079 40.207 38.000 0.212 0.000 1.315 286 I HN 0.419 nan 8.210 nan 0.000 0.451 287 L N 4.250 125.683 121.223 0.349 0.000 1.978 287 L HA -0.207 4.132 4.340 -0.001 0.000 0.218 287 L C 1.316 178.223 176.870 0.061 0.000 1.075 287 L CA 1.347 56.274 54.840 0.145 0.000 0.767 287 L CB -0.511 41.600 42.059 0.086 0.000 0.890 287 L HN 0.658 nan 8.230 nan 0.000 0.434 288 N N 0.466 119.213 118.700 0.077 0.000 2.427 288 N HA 0.007 4.747 4.740 -0.001 0.000 0.269 288 N C -1.783 173.756 175.510 0.050 0.000 1.235 288 N CA -1.358 51.718 53.050 0.044 0.000 0.934 288 N CB 1.255 39.767 38.487 0.043 0.000 1.121 288 N HN -0.097 nan 8.380 nan 0.000 0.480 289 P HA -0.141 nan 4.420 nan 0.000 0.214 289 P C 1.058 178.371 177.300 0.022 0.000 1.163 289 P CA 1.606 64.714 63.100 0.014 0.000 0.883 289 P CB -0.016 31.667 31.700 -0.028 0.000 0.788 290 S N -0.855 114.853 115.700 0.012 0.000 2.500 290 S HA -0.070 4.400 4.470 -0.001 0.000 0.239 290 S C 1.376 175.988 174.600 0.021 0.000 0.989 290 S CA 0.914 59.121 58.200 0.011 0.000 0.951 290 S CB -0.863 62.341 63.200 0.006 0.000 0.759 290 S HN 0.222 nan 8.310 nan 0.000 0.523 291 K N 0.836 121.256 120.400 0.033 0.000 2.437 291 K HA 0.231 4.551 4.320 -0.001 0.000 0.205 291 K C -0.029 176.599 176.600 0.048 0.000 1.026 291 K CA -0.164 56.145 56.287 0.038 0.000 1.153 291 K CB 0.359 32.883 32.500 0.041 0.000 0.863 291 K HN 0.272 nan 8.250 nan 0.000 0.502 292 R N 0.753 121.286 120.500 0.055 0.000 2.368 292 R HA 0.208 4.547 4.340 -0.001 0.000 0.302 292 R C 0.454 176.772 176.300 0.030 0.000 1.002 292 R CA -0.421 55.718 56.100 0.066 0.000 0.929 292 R CB 1.434 31.801 30.300 0.112 0.000 1.073 292 R HN 0.103 nan 8.270 nan 0.000 0.464 293 G N 1.135 109.934 108.800 -0.002 0.000 2.594 293 G HA2 0.051 4.010 3.960 -0.001 0.000 0.243 293 G HA3 0.051 4.010 3.960 -0.001 0.000 0.243 293 G C 0.245 175.143 174.900 -0.003 0.000 1.229 293 G CA -0.403 44.686 45.100 -0.019 0.000 0.843 293 G HN 0.605 nan 8.290 nan 0.000 0.578 294 T N -0.093 114.464 114.554 0.005 0.000 2.926 294 T HA 0.122 4.471 4.350 -0.001 0.000 0.307 294 T C 1.777 176.500 174.700 0.037 0.000 1.059 294 T CA -0.657 61.461 62.100 0.030 0.000 1.122 294 T CB 0.874 69.758 68.868 0.027 0.000 0.972 294 T HN 0.297 nan 8.240 nan 0.000 0.545 295 L N 0.827 122.112 121.223 0.104 0.000 2.081 295 L HA -0.167 4.173 4.340 -0.001 0.000 0.212 295 L C 2.981 179.885 176.870 0.055 0.000 1.080 295 L CA 2.263 57.163 54.840 0.101 0.000 0.754 295 L CB -0.660 41.489 42.059 0.151 0.000 0.893 295 L HN 0.951 nan 8.230 nan 0.000 0.433 296 E N 0.071 120.305 120.200 0.055 0.000 2.085 296 E HA -0.294 4.055 4.350 -0.001 0.000 0.194 296 E C 2.104 178.718 176.600 0.024 0.000 0.994 296 E CA 1.621 58.044 56.400 0.038 0.000 0.801 296 E CB 0.033 29.754 29.700 0.035 0.000 0.743 296 E HN 0.533 nan 8.360 nan 0.000 0.453 297 Q N 0.109 119.916 119.800 0.011 0.000 2.016 297 Q HA -0.128 4.211 4.340 -0.001 0.000 0.200 297 Q C 2.312 178.305 176.000 -0.012 0.000 0.978 297 Q CA 1.711 57.514 55.803 -0.001 0.000 0.833 297 Q CB -0.184 28.548 28.738 -0.010 0.000 0.895 297 Q HN 0.299 nan 8.270 nan 0.000 0.427 298 I N 0.555 121.098 120.570 -0.046 0.000 2.236 298 I HA -0.341 3.829 4.170 -0.001 0.000 0.249 298 I C 2.197 178.327 176.117 0.022 0.000 1.102 298 I CA 1.445 62.702 61.300 -0.072 0.000 1.365 298 I CB -0.280 37.589 38.000 -0.219 0.000 1.051 298 I HN 0.294 nan 8.210 nan 0.000 0.420 299 M N -0.504 119.119 119.600 0.038 0.000 2.255 299 M HA -0.288 4.191 4.480 -0.001 0.000 0.259 299 M C 1.884 178.216 176.300 0.052 0.000 1.071 299 M CA 1.720 57.052 55.300 0.053 0.000 1.074 299 M CB -0.328 32.295 32.600 0.038 0.000 1.384 299 M HN 0.144 nan 8.290 nan 0.000 0.415 300 K N -0.303 120.122 120.400 0.042 0.000 2.400 300 K HA -0.009 4.311 4.320 -0.001 0.000 0.194 300 K C 0.237 176.873 176.600 0.060 0.000 1.033 300 K CA -0.071 56.242 56.287 0.043 0.000 1.021 300 K CB -0.174 32.344 32.500 0.031 0.000 0.808 300 K HN 0.256 nan 8.250 nan 0.000 0.505 301 D N 0.778 121.224 120.400 0.076 0.000 2.601 301 D HA -0.145 4.494 4.640 -0.001 0.000 0.229 301 D C 1.205 177.589 176.300 0.139 0.000 1.140 301 D CA 0.241 54.305 54.000 0.108 0.000 0.862 301 D CB 0.822 41.713 40.800 0.152 0.000 1.192 301 D HN -0.118 nan 8.370 nan 0.000 0.480 302 R N 3.389 123.973 120.500 0.140 0.000 2.073 302 R HA -0.137 4.202 4.340 -0.001 0.000 0.234 302 R C 1.882 178.296 176.300 0.190 0.000 1.134 302 R CA 2.113 58.296 56.100 0.138 0.000 0.952 302 R CB -1.091 29.280 30.300 0.118 0.000 0.850 302 R HN 0.832 nan 8.270 nan 0.000 0.433 303 W N 0.046 121.379 121.300 0.055 0.000 2.363 303 W HA -0.152 4.508 4.660 -0.001 0.000 0.296 303 W C 1.879 178.445 176.519 0.079 0.000 1.212 303 W CA 1.672 59.053 57.345 0.060 0.000 1.260 303 W CB -0.322 29.169 29.460 0.052 0.000 1.131 303 W HN 0.189 nan 8.180 nan 0.000 0.530 304 M N 1.204 121.054 119.600 0.417 0.000 2.267 304 M HA -0.186 4.293 4.480 -0.001 0.000 0.263 304 M C 0.780 177.063 176.300 -0.028 0.000 1.063 304 M CA 1.748 57.195 55.300 0.245 0.000 1.090 304 M CB -0.451 32.346 32.600 0.328 0.000 1.392 304 M HN -0.034 nan 8.290 nan 0.000 0.422 305 N N -0.708 117.994 118.700 0.003 0.000 2.200 305 N HA 0.143 4.882 4.740 -0.001 0.000 0.224 305 N C -0.671 174.874 175.510 0.057 0.000 1.179 305 N CA -0.018 53.039 53.050 0.011 0.000 0.877 305 N CB 0.689 39.200 38.487 0.040 0.000 1.072 305 N HN 0.109 nan 8.380 nan 0.000 0.519 306 V N 0.920 120.816 119.914 -0.030 0.000 2.617 306 V HA 0.091 4.210 4.120 -0.001 0.000 0.304 306 V C 1.539 177.636 176.094 0.004 0.000 1.040 306 V CA 1.056 63.331 62.300 -0.043 0.000 1.149 306 V CB 0.332 32.067 31.823 -0.147 0.000 0.914 306 V HN 0.618 nan 8.190 nan 0.000 0.487 307 G N 3.757 112.530 108.800 -0.045 0.000 2.155 307 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.257 307 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.257 307 G C 0.320 175.039 174.900 -0.302 0.000 0.983 307 G CA 0.428 45.434 45.100 -0.156 0.000 0.676 307 G HN 0.914 nan 8.290 nan 0.000 0.528 308 H N -0.629 118.408 119.070 -0.055 0.000 2.676 308 H HA 0.264 4.819 4.556 -0.001 0.000 0.238 308 H C 1.220 176.533 175.328 -0.024 0.000 1.276 308 H CA 0.069 56.094 56.048 -0.039 0.000 0.983 308 H CB 0.657 30.394 29.762 -0.041 0.000 2.000 308 H HN 0.412 nan 8.280 nan 0.000 0.584 309 E N 0.316 120.542 120.200 0.044 0.000 2.204 309 E HA -0.107 4.242 4.350 -0.001 0.000 0.194 309 E C 1.133 177.750 176.600 0.029 0.000 0.989 309 E CA 0.723 57.143 56.400 0.033 0.000 0.824 309 E CB 0.265 29.971 29.700 0.010 0.000 0.756 309 E HN 0.245 nan 8.360 nan 0.000 0.477 310 D N -0.216 120.197 120.400 0.022 0.000 2.319 310 D HA -0.009 4.630 4.640 -0.001 0.000 0.230 310 D C -0.260 176.060 176.300 0.034 0.000 1.094 310 D CA 0.413 54.424 54.000 0.019 0.000 0.856 310 D CB 0.222 41.024 40.800 0.004 0.000 0.915 310 D HN 0.033 nan 8.370 nan 0.000 0.517 311 D N -0.094 120.341 120.400 0.058 0.000 3.285 311 D HA -0.036 4.604 4.640 -0.001 0.000 0.314 311 D C -0.525 175.819 176.300 0.073 0.000 1.601 311 D CA -0.323 53.724 54.000 0.078 0.000 0.772 311 D CB 0.098 40.974 40.800 0.127 0.000 1.312 311 D HN -0.143 nan 8.370 nan 0.000 0.550 312 E N 0.784 121.013 120.200 0.049 0.000 2.829 312 E HA -0.101 4.248 4.350 -0.001 0.000 0.264 312 E C -0.030 176.576 176.600 0.009 0.000 0.922 312 E CA 0.181 56.599 56.400 0.029 0.000 0.960 312 E CB 0.632 30.348 29.700 0.027 0.000 0.918 312 E HN 0.294 nan 8.360 nan 0.000 0.497 313 L N 5.260 126.473 121.223 -0.017 0.000 2.477 313 L HA 0.045 4.384 4.340 -0.001 0.000 0.272 313 L C -0.302 176.576 176.870 0.013 0.000 1.157 313 L CA 0.803 55.631 54.840 -0.021 0.000 0.889 313 L CB 0.223 42.258 42.059 -0.040 0.000 1.158 313 L HN 0.244 nan 8.230 nan 0.000 0.473 314 K N 5.410 125.827 120.400 0.029 0.000 2.340 314 K HA 0.570 4.889 4.320 -0.001 0.000 0.244 314 K C -2.490 174.152 176.600 0.070 0.000 0.973 314 K CA -2.295 54.015 56.287 0.040 0.000 0.828 314 K CB 1.313 33.829 32.500 0.027 0.000 1.226 314 K HN 0.312 nan 8.250 nan 0.000 0.437 315 P HA -0.125 nan 4.420 nan 0.000 0.261 315 P C -0.616 176.773 177.300 0.148 0.000 1.165 315 P CA 0.330 63.496 63.100 0.110 0.000 0.759 315 P CB -0.015 31.730 31.700 0.075 0.000 0.772 316 Y N 4.383 124.733 120.300 0.084 0.000 2.610 316 Y HA 0.109 4.658 4.550 -0.001 0.000 0.332 316 Y C 0.015 175.957 175.900 0.069 0.000 1.201 316 Y CA 0.259 58.396 58.100 0.062 0.000 1.465 316 Y CB 0.369 38.889 38.460 0.101 0.000 1.283 316 Y HN 0.078 nan 8.280 nan 0.000 0.563 317 V N 7.251 126.796 119.914 -0.614 0.000 2.347 317 V HA 0.153 4.272 4.120 -0.001 0.000 0.280 317 V C 0.003 175.656 176.094 -0.735 0.000 1.021 317 V CA -1.175 60.870 62.300 -0.426 0.000 0.847 317 V CB 1.119 32.789 31.823 -0.256 0.000 0.990 317 V HN 0.760 nan 8.190 nan 0.000 0.444 318 E N 6.744 126.752 120.200 -0.321 0.000 2.413 318 E HA 0.161 4.510 4.350 -0.001 0.000 0.263 318 E C -2.094 174.412 176.600 -0.156 0.000 1.015 318 E CA -1.081 55.225 56.400 -0.157 0.000 0.916 318 E CB 0.819 30.622 29.700 0.171 0.000 0.947 318 E HN 0.518 nan 8.360 nan 0.000 0.440 319 P HA 0.128 nan 4.420 nan 0.000 0.281 319 P C -0.683 176.583 177.300 -0.055 0.000 1.249 319 P CA -0.360 62.683 63.100 -0.096 0.000 0.810 319 P CB 0.576 32.228 31.700 -0.079 0.000 1.008 320 L N 2.666 123.848 121.223 -0.068 0.000 2.593 320 L HA 0.026 4.366 4.340 -0.001 0.000 0.287 320 L C -1.507 175.288 176.870 -0.125 0.000 1.243 320 L CA -0.977 53.814 54.840 -0.083 0.000 0.890 320 L CB -1.347 40.662 42.059 -0.083 0.000 1.134 320 L HN 0.320 nan 8.230 nan 0.000 0.502 321 P HA -0.048 nan 4.420 nan 0.000 0.261 321 P C -0.870 176.155 177.300 -0.459 0.000 1.173 321 P CA 0.195 63.022 63.100 -0.455 0.000 0.760 321 P CB 0.320 31.542 31.700 -0.797 0.000 0.783 322 D N 2.396 122.608 120.400 -0.314 0.000 2.477 322 D HA 0.149 4.788 4.640 -0.001 0.000 0.239 322 D C -0.409 175.916 176.300 0.042 0.000 1.102 322 D CA -0.377 53.541 54.000 -0.136 0.000 0.901 322 D CB 0.063 40.872 40.800 0.014 0.000 1.026 322 D HN 0.197 nan 8.370 nan 0.000 0.515 323 Y N 1.697 122.003 120.300 0.009 0.000 2.468 323 Y HA 0.246 4.796 4.550 -0.001 0.000 0.268 323 Y C 1.090 176.936 175.900 -0.089 0.000 1.177 323 Y CA -0.176 57.837 58.100 -0.146 0.000 1.265 323 Y CB 0.390 38.732 38.460 -0.196 0.000 1.103 323 Y HN 0.199 nan 8.280 nan 0.000 0.522 324 K N -0.028 120.479 120.400 0.179 0.000 2.619 324 K HA 0.092 4.412 4.320 -0.001 0.000 0.201 324 K C -0.564 176.139 176.600 0.171 0.000 1.090 324 K CA -0.190 56.183 56.287 0.143 0.000 1.063 324 K CB 0.733 33.278 32.500 0.075 0.000 0.810 324 K HN 0.042 nan 8.250 nan 0.000 0.506 325 D N 3.421 123.980 120.400 0.265 0.000 2.479 325 D HA -0.022 4.617 4.640 -0.001 0.000 0.257 325 D C -1.578 174.785 176.300 0.105 0.000 1.230 325 D CA -1.271 52.813 54.000 0.140 0.000 0.912 325 D CB 1.200 42.037 40.800 0.061 0.000 1.130 325 D HN -0.012 nan 8.370 nan 0.000 0.515 326 P HA -0.078 nan 4.420 nan 0.000 0.222 326 P C 1.368 178.685 177.300 0.028 0.000 1.153 326 P CA 0.551 63.680 63.100 0.049 0.000 0.798 326 P CB 0.159 31.879 31.700 0.033 0.000 0.796 327 R N 0.581 121.084 120.500 0.004 0.000 2.082 327 R HA -0.118 4.221 4.340 -0.001 0.000 0.234 327 R C 2.248 178.535 176.300 -0.022 0.000 1.136 327 R CA 1.672 57.764 56.100 -0.014 0.000 0.935 327 R CB -0.274 30.006 30.300 -0.032 0.000 0.842 327 R HN 0.053 nan 8.270 nan 0.000 0.430 328 R N -0.705 119.757 120.500 -0.062 0.000 2.090 328 R HA -0.031 4.308 4.340 -0.001 0.000 0.228 328 R C 2.299 178.605 176.300 0.010 0.000 1.110 328 R CA 1.761 57.794 56.100 -0.111 0.000 0.973 328 R CB -0.221 29.843 30.300 -0.393 0.000 0.869 328 R HN 0.330 nan 8.270 nan 0.000 0.440 329 T N 1.153 115.766 114.554 0.098 0.000 2.652 329 T HA -0.146 4.203 4.350 -0.001 0.000 0.267 329 T C 1.523 176.277 174.700 0.090 0.000 1.039 329 T CA 1.275 63.457 62.100 0.136 0.000 1.153 329 T CB -0.123 68.826 68.868 0.135 0.000 0.863 329 T HN 0.194 nan 8.240 nan 0.000 0.428 330 E N 0.915 121.152 120.200 0.062 0.000 2.051 330 E HA -0.021 4.328 4.350 -0.001 0.000 0.192 330 E C 2.273 178.905 176.600 0.054 0.000 0.991 330 E CA 0.567 56.998 56.400 0.051 0.000 0.799 330 E CB -0.723 28.997 29.700 0.034 0.000 0.748 330 E HN 0.277 nan 8.360 nan 0.000 0.449 331 L N 0.351 121.599 121.223 0.043 0.000 2.089 331 L HA -0.205 4.134 4.340 -0.001 0.000 0.213 331 L C 2.417 179.340 176.870 0.088 0.000 1.079 331 L CA 1.647 56.514 54.840 0.046 0.000 0.758 331 L CB -0.348 41.724 42.059 0.022 0.000 0.891 331 L HN 0.161 nan 8.230 nan 0.000 0.433 332 M N -2.743 116.931 119.600 0.123 0.000 2.248 332 M HA -0.133 4.346 4.480 -0.001 0.000 0.265 332 M C 2.131 178.585 176.300 0.257 0.000 1.079 332 M CA 0.866 56.310 55.300 0.240 0.000 1.150 332 M CB -0.207 32.503 32.600 0.183 0.000 1.366 332 M HN 0.026 nan 8.290 nan 0.000 0.433 333 V N -0.040 119.971 119.914 0.162 0.000 2.317 333 V HA -0.316 3.804 4.120 -0.001 0.000 0.251 333 V C 2.351 178.493 176.094 0.080 0.000 1.065 333 V CA 2.162 64.533 62.300 0.117 0.000 1.049 333 V CB -0.938 30.932 31.823 0.079 0.000 0.651 333 V HN 0.441 nan 8.190 nan 0.000 0.450 334 S N -0.575 115.167 115.700 0.070 0.000 2.368 334 S HA -0.163 4.306 4.470 -0.001 0.000 0.225 334 S C 1.795 176.408 174.600 0.022 0.000 1.030 334 S CA 1.832 60.055 58.200 0.039 0.000 0.999 334 S CB -0.348 62.872 63.200 0.034 0.000 0.844 334 S HN 0.556 nan 8.310 nan 0.000 0.459 335 M N 0.226 119.852 119.600 0.043 0.000 2.630 335 M HA 0.108 4.588 4.480 -0.001 0.000 0.254 335 M C 1.360 177.585 176.300 -0.123 0.000 1.092 335 M CA 0.714 56.000 55.300 -0.023 0.000 1.087 335 M CB -0.032 32.587 32.600 0.032 0.000 1.453 335 M HN 0.464 nan 8.290 nan 0.000 0.509 336 G N -0.096 108.670 108.800 -0.056 0.000 2.140 336 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.211 336 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.211 336 G C -0.417 174.416 174.900 -0.111 0.000 1.013 336 G CA -0.641 44.406 45.100 -0.088 0.000 0.705 336 G HN 0.391 nan 8.290 nan 0.000 0.508 337 Y N 0.874 121.179 120.300 0.007 0.000 2.316 337 Y HA 0.592 5.141 4.550 -0.001 0.000 0.324 337 Y C 1.426 177.332 175.900 0.010 0.000 1.267 337 Y CA 0.308 58.414 58.100 0.010 0.000 1.311 337 Y CB 1.070 39.543 38.460 0.022 0.000 1.267 337 Y HN 0.297 nan 8.280 nan 0.000 0.516 338 T N -1.512 113.159 114.554 0.195 0.000 2.907 338 T HA 0.370 4.719 4.350 -0.001 0.000 0.284 338 T C 0.753 175.504 174.700 0.084 0.000 1.004 338 T CA -0.919 61.243 62.100 0.103 0.000 1.063 338 T CB 1.257 70.165 68.868 0.067 0.000 0.992 338 T HN 0.725 nan 8.240 nan 0.000 0.483 339 R N 1.083 121.617 120.500 0.056 0.000 2.092 339 R HA -0.034 4.305 4.340 -0.001 0.000 0.231 339 R C 2.206 178.514 176.300 0.013 0.000 1.119 339 R CA 0.648 56.770 56.100 0.037 0.000 0.970 339 R CB -0.420 29.901 30.300 0.034 0.000 0.864 339 R HN 0.671 nan 8.270 nan 0.000 0.440 340 E N 1.985 122.194 120.200 0.016 0.000 2.055 340 E HA -0.281 4.068 4.350 -0.001 0.000 0.209 340 E C 2.012 178.605 176.600 -0.011 0.000 1.036 340 E CA 2.356 58.759 56.400 0.004 0.000 0.849 340 E CB -0.079 29.628 29.700 0.013 0.000 0.767 340 E HN 0.630 nan 8.360 nan 0.000 0.461 341 E N 0.149 120.351 120.200 0.003 0.000 2.106 341 E HA -0.163 4.186 4.350 -0.001 0.000 0.192 341 E C 2.455 179.012 176.600 -0.071 0.000 0.984 341 E CA 1.092 57.485 56.400 -0.012 0.000 0.806 341 E CB -0.557 29.165 29.700 0.038 0.000 0.750 341 E HN 0.308 nan 8.360 nan 0.000 0.458 342 I N 1.760 122.281 120.570 -0.082 0.000 2.151 342 I HA -0.352 3.817 4.170 -0.001 0.000 0.243 342 I C 3.067 179.055 176.117 -0.215 0.000 1.080 342 I CA 1.975 63.174 61.300 -0.168 0.000 1.339 342 I CB -0.544 37.389 38.000 -0.112 0.000 1.039 342 I HN 0.304 nan 8.210 nan 0.000 0.409 343 Q N 1.119 120.836 119.800 -0.138 0.000 2.020 343 Q HA -0.266 4.073 4.340 -0.001 0.000 0.202 343 Q C 1.730 177.636 176.000 -0.157 0.000 0.982 343 Q CA 2.324 58.049 55.803 -0.129 0.000 0.838 343 Q CB -0.139 28.565 28.738 -0.058 0.000 0.899 343 Q HN 0.438 nan 8.270 nan 0.000 0.423 344 D N 0.236 120.567 120.400 -0.115 0.000 2.116 344 D HA -0.129 4.510 4.640 -0.001 0.000 0.193 344 D C 2.104 178.312 176.300 -0.154 0.000 0.998 344 D CA 1.844 55.781 54.000 -0.104 0.000 0.836 344 D CB -0.280 40.482 40.800 -0.064 0.000 0.951 344 D HN 0.187 nan 8.370 nan 0.000 0.449 345 S N -0.375 115.217 115.700 -0.181 0.000 2.368 345 S HA -0.056 4.413 4.470 -0.001 0.000 0.225 345 S C 2.081 176.481 174.600 -0.335 0.000 1.030 345 S CA 0.578 58.652 58.200 -0.210 0.000 0.999 345 S CB -0.146 62.936 63.200 -0.195 0.000 0.844 345 S HN 0.203 nan 8.310 nan 0.000 0.459 346 L N 0.467 121.404 121.223 -0.476 0.000 2.068 346 L HA 0.009 4.348 4.340 -0.001 0.000 0.204 346 L C 2.389 178.676 176.870 -0.971 0.000 1.076 346 L CA 0.672 55.017 54.840 -0.825 0.000 0.753 346 L CB -0.584 40.873 42.059 -1.003 0.000 0.910 346 L HN 0.151 nan 8.230 nan 0.000 0.439 347 V N 0.294 119.848 119.914 -0.600 0.000 2.295 347 V HA -0.213 3.906 4.120 -0.001 0.000 0.246 347 V C 2.454 178.426 176.094 -0.204 0.000 1.049 347 V CA 2.092 64.209 62.300 -0.305 0.000 1.024 347 V CB -1.024 30.747 31.823 -0.087 0.000 0.648 347 V HN 0.585 nan 8.190 nan 0.000 0.447 348 G N -1.364 107.323 108.800 -0.187 0.000 2.625 348 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.214 348 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.214 348 G C 0.680 175.513 174.900 -0.111 0.000 1.132 348 G CA 0.188 45.221 45.100 -0.112 0.000 0.782 348 G HN 0.531 nan 8.290 nan 0.000 0.538 349 Q N -0.681 118.990 119.800 -0.215 0.000 2.439 349 Q HA -0.197 4.142 4.340 -0.001 0.000 0.325 349 Q C 1.360 177.323 176.000 -0.061 0.000 1.372 349 Q CA 0.520 56.211 55.803 -0.187 0.000 0.909 349 Q CB -1.019 27.695 28.738 -0.040 0.000 1.167 349 Q HN 0.582 nan 8.270 nan 0.000 0.418 350 R N -0.763 119.674 120.500 -0.105 0.000 2.193 350 R HA -0.053 4.286 4.340 -0.001 0.000 0.213 350 R C 0.189 176.568 176.300 0.132 0.000 1.055 350 R CA 0.436 56.541 56.100 0.009 0.000 0.995 350 R CB 0.106 30.385 30.300 -0.036 0.000 0.893 350 R HN 0.444 nan 8.270 nan 0.000 0.459 351 Y N 1.489 121.781 120.300 -0.013 0.000 3.225 351 Y HA -0.307 4.242 4.550 -0.001 0.000 0.211 351 Y C 0.523 176.450 175.900 0.045 0.000 1.223 351 Y CA 0.436 58.552 58.100 0.027 0.000 1.284 351 Y CB -2.204 36.272 38.460 0.027 0.000 1.367 351 Y HN 0.391 nan 8.280 nan 0.000 0.566 352 N N -0.039 118.722 118.700 0.103 0.000 2.593 352 N HA 0.229 4.968 4.740 -0.001 0.000 0.304 352 N C 1.088 176.666 175.510 0.113 0.000 1.296 352 N CA 0.066 53.179 53.050 0.106 0.000 0.950 352 N CB 0.178 38.703 38.487 0.064 0.000 1.127 352 N HN 0.349 nan 8.380 nan 0.000 0.587 353 E N -0.643 119.635 120.200 0.129 0.000 2.150 353 E HA -0.087 4.262 4.350 -0.001 0.000 0.193 353 E C 1.615 178.288 176.600 0.121 0.000 0.985 353 E CA 1.053 57.554 56.400 0.167 0.000 0.814 353 E CB -0.479 29.330 29.700 0.182 0.000 0.752 353 E HN 0.298 nan 8.360 nan 0.000 0.466 354 V N 1.603 121.535 119.914 0.031 0.000 2.255 354 V HA -0.321 3.798 4.120 -0.001 0.000 0.247 354 V C 2.552 178.518 176.094 -0.212 0.000 1.051 354 V CA 2.290 64.429 62.300 -0.268 0.000 1.018 354 V CB -0.573 31.106 31.823 -0.239 0.000 0.641 354 V HN 0.339 nan 8.190 nan 0.000 0.445 355 M N 0.241 119.765 119.600 -0.127 0.000 2.229 355 M HA -0.064 4.415 4.480 -0.001 0.000 0.264 355 M C 2.052 178.353 176.300 0.001 0.000 1.063 355 M CA 1.852 57.081 55.300 -0.118 0.000 1.114 355 M CB -0.259 32.206 32.600 -0.225 0.000 1.387 355 M HN 0.318 nan 8.290 nan 0.000 0.420 356 A N -0.243 122.608 122.820 0.052 0.000 1.898 356 A HA -0.121 4.199 4.320 -0.001 0.000 0.216 356 A C 2.082 179.618 177.584 -0.079 0.000 1.181 356 A CA 2.170 54.257 52.037 0.082 0.000 0.620 356 A CB -1.268 17.841 19.000 0.182 0.000 0.819 356 A HN 0.545 nan 8.150 nan 0.000 0.442 357 T N -1.531 113.002 114.554 -0.035 0.000 2.684 357 T HA -0.195 4.154 4.350 -0.001 0.000 0.267 357 T C 1.800 176.487 174.700 -0.022 0.000 1.036 357 T CA 1.835 63.925 62.100 -0.017 0.000 1.148 357 T CB -0.441 68.492 68.868 0.108 0.000 0.863 357 T HN 0.568 nan 8.240 nan 0.000 0.436 358 Y N 1.403 121.623 120.300 -0.135 0.000 2.181 358 Y HA -0.048 4.501 4.550 -0.001 0.000 0.288 358 Y C 2.056 177.937 175.900 -0.032 0.000 1.146 358 Y CA 1.124 59.169 58.100 -0.092 0.000 1.164 358 Y CB -0.422 37.968 38.460 -0.117 0.000 0.982 358 Y HN 0.121 nan 8.280 nan 0.000 0.515 359 L N -0.656 120.690 121.223 0.206 0.000 2.017 359 L HA -0.253 4.086 4.340 -0.001 0.000 0.208 359 L C 2.426 179.341 176.870 0.075 0.000 1.073 359 L CA 1.315 56.284 54.840 0.214 0.000 0.745 359 L CB -0.635 41.642 42.059 0.364 0.000 0.894 359 L HN 0.282 nan 8.230 nan 0.000 0.432 360 L N -0.542 120.580 121.223 -0.169 0.000 2.083 360 L HA -0.223 4.116 4.340 -0.001 0.000 0.209 360 L C 2.289 179.124 176.870 -0.057 0.000 1.083 360 L CA 0.962 55.614 54.840 -0.314 0.000 0.752 360 L CB -0.338 41.368 42.059 -0.588 0.000 0.899 360 L HN 0.264 nan 8.230 nan 0.000 0.433 361 L N -0.274 120.902 121.223 -0.079 0.000 2.642 361 L HA -0.123 4.216 4.340 -0.001 0.000 0.236 361 L C 2.181 179.013 176.870 -0.064 0.000 1.169 361 L CA 0.622 55.420 54.840 -0.070 0.000 0.851 361 L CB -0.753 41.227 42.059 -0.132 0.000 0.968 361 L HN 0.289 nan 8.230 nan 0.000 0.453 362 G N -1.807 106.986 108.800 -0.012 0.000 2.880 362 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.209 362 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.209 362 G C 0.321 175.105 174.900 -0.192 0.000 1.157 362 G CA -0.152 44.875 45.100 -0.121 0.000 0.779 362 G HN 0.144 nan 8.290 nan 0.000 0.539 363 Y N 0.000 120.263 120.300 -0.061 0.000 2.660 363 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 363 Y CA 0.000 58.084 58.100 -0.026 0.000 1.940 363 Y CB 0.000 38.445 38.460 -0.025 0.000 1.050 363 Y HN 0.000 nan 8.280 nan 0.000 0.758