NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8243 8.3544 109.7222 44.8701 0.0000 173.7361 4 D 4.0679 8.5661 121.2445 53.5198 41.8410 176.1059 5 K 3.9007 9.6110 128.9828 59.7223 32.6335 178.4134 6 K 4.1309 8.1196 118.2140 58.8933 32.0932 179.1323 7 V 3.6449 8.4259 119.0876 66.4058 31.4931 177.9958 8 I 3.8419 7.7050 119.1241 64.6794 36.8816 178.5140 9 Q 3.9831 7.7110 118.2941 59.2099 28.4856 178.4235 10 H 4.1914 8.3746 117.3305 58.9141 28.6996 177.8621 11 L 4.0135 8.4924 121.1567 57.9559 41.3678 179.3570 12 N 4.3832 8.3606 116.3008 55.7045 38.4491 177.5108 13 K 3.9489 7.9789 121.5502 59.3661 32.3099 178.9808 14 I 3.6949 7.9796 120.2723 64.3502 37.0660 178.0472 15 L 4.0650 8.2257 121.4605 58.0552 41.5470 179.0592 16 G 3.7165 8.2033 105.7431 48.1682 0.0000 175.3766 17 N 4.2614 8.1310 119.0573 55.9516 38.4902 177.4772 18 E 3.9955 8.3099 120.0834 59.3478 29.3705 179.3129 19 L 4.0444 7.9499 119.0648 57.6944 41.5563 179.7944 20 I 3.6721 7.3324 119.2812 64.1024 37.0668 178.0181 21 A 3.2404 7.7805 121.5619 55.0337 18.1389 179.4549 22 I 3.5996 7.8635 118.4593 64.8972 37.1742 178.4704 23 N 4.3703 7.7553 116.9060 56.1402 38.2622 177.2847 24 Q 3.8402 8.2859 121.3382 59.5995 29.1294 178.0737 25 Y 4.6841 8.0540 118.1115 61.0686 37.8954 178.4204 26 F 3.8658 8.5213 121.6946 61.0695 39.4697 176.9878 27 L 3.9839 8.2885 120.0813 58.6311 41.9475 178.3916 28 H 3.8241 8.3804 116.4626 58.9677 28.4997 177.6692 29 S 4.3569 8.3776 114.9584 61.7028 62.3005 176.5618 30 R 3.8481 7.9892 120.5001 59.0445 29.7021 179.1022 31 M 3.5340 7.9808 119.0789 57.8727 31.8997 178.6364 32 W 4.5465 7.7373 119.0541 59.9786 29.2245 178.3016 33 N 4.4028 8.5226 116.6104 56.4314 37.7648 176.9430 34 D 4.3433 7.7573 118.3160 57.0999 41.4009 177.9111 35 W 4.7648 8.0210 117.6742 57.8787 29.1973 177.2540 36 G 4.0609 8.3942 107.9843 45.4266 0.0000 173.8245 37 L 4.8474 8.0325 122.1428 53.4475 40.2535 177.4166 38 K 4.1499 8.5211 121.2169 58.6424 32.4071 178.7774 39 R 3.9405 7.8468 119.1774 59.0162 30.1474 178.3423 40 L 3.8704 7.7411 118.6171 57.3836 41.5087 179.5558 41 G 3.7059 8.0018 105.5842 47.8134 0.0000 175.7431 42 A 4.0861 8.2465 123.6207 55.0817 18.4066 179.2573 43 H 4.0019 8.1194 116.5428 59.2333 29.8555 177.1008 44 E 4.0550 8.2725 120.9367 59.0284 29.5607 177.9302 45 Y 3.9830 8.1760 119.7974 61.0467 38.8541 177.8808 46 H 4.0052 8.2533 116.8679 58.6003 28.8710 177.5254 47 E 3.8312 8.0540 120.5915 59.3137 29.1875 179.2905 48 S 4.2590 8.3008 113.0988 61.6299 62.5712 175.9396 49 I 3.5593 7.4673 122.3708 64.6635 36.8410 177.9095 50 D 4.2355 8.0589 119.2208 57.6251 40.6781 178.8371 51 E 4.0523 8.0686 118.3505 59.6862 29.4144 179.3954 52 M 4.0426 7.9605 118.8033 58.3589 32.0792 178.9479 53 K 4.0169 8.0245 118.6476 59.6407 32.2657 179.2158 54 H 4.2880 8.2565 116.4017 58.8051 28.5873 177.6390 55 A 4.0131 8.2187 122.6975 55.1235 18.1772 179.0558 56 D 4.2632 8.1822 116.4657 57.6807 41.1938 178.8569 57 K 4.0756 7.9658 118.5408 59.2245 31.9799 179.3861 58 L 4.0926 7.9229 119.3040 57.6415 41.7358 179.3852 59 I 3.7938 7.9591 119.9889 64.3203 36.9592 178.3410 60 E 4.0699 8.2766 119.6893 59.1863 29.3199 179.2368 61 R 4.0782 7.9049 119.0158 59.1904 30.1730 178.6392 62 I 3.7240 7.8943 119.6902 64.5338 37.3177 178.4524 63 L 4.2113 7.8781 119.4257 57.7339 41.1493 179.3924 64 F 4.3854 8.0589 119.9731 60.4927 39.2927 176.0778 65 L 4.1243 7.7262 117.1760 53.4658 41.9214 176.1113 66 E 3.6983 7.6161 116.1479 57.2312 27.6297 175.2720 67 G 3.8670 8.2313 107.5779 44.4479 0.0000 173.8536 68 L 4.5594 7.9719 118.8265 51.9165 42.4476 175.0110 69 P 4.3492 0.0000 0.0000 62.4544 31.7570 176.2611 70 N 4.6677 9.3411 122.6895 52.5121 38.2367 173.8010 71 L 4.6292 8.3169 124.1257 54.4720 42.2792 177.2580 72 Q 4.1992 8.5223 122.2310 57.1548 29.8323 175.4169 73 D 4.5512 8.1272 117.9018 52.8030 41.1557 175.5352 74 L 4.4461 8.2698 127.3531 52.7532 42.7197 176.5741 75 G 3.8310 8.2925 116.8018 45.0672 0.0000 170.7381 76 K 4.1872 8.3449 120.6578 55.3891 32.7667 177.1468 77 L 4.1519 8.4088 126.7636 54.7723 42.1849 177.5712 78 L 4.4762 8.6328 124.9254 53.3650 40.4228 174.7820 79 I 4.2231 7.8448 122.3847 59.7562 38.5909 176.1270 80 G 4.1084 8.6400 113.8083 44.2890 0.0000 172.9259 81 E 4.6673 10.7800 116.0370 56.2098 30.8732 175.7684 82 N 5.0188 7.8248 116.7304 50.4753 41.8878 174.8780 83 T 4.4511 8.7036 117.0370 67.2549 68.5039 176.3025 84 Q 3.9403 8.1856 120.4371 59.4243 29.1716 177.9773 85 E 4.0167 8.6605 119.5466 59.7529 29.4141 179.4123 86 M 3.9832 8.1981 118.7209 58.1765 31.8680 178.8036 87 L 4.1246 8.1166 119.2301 58.0093 41.8671 179.4098 88 Q 3.9670 8.1343 119.4366 59.2887 28.9435 178.1205 89 C 4.2400 8.7686 118.3271 62.8786 28.1971 175.7294 90 D 4.6795 8.4931 120.6838 57.3308 40.5146 178.6232 91 L 3.9982 8.3195 121.1879 58.2270 41.9738 178.8111 92 N 4.4138 8.3290 116.5794 56.1751 38.4383 177.2096 93 L 4.0485 8.1895 121.8880 58.1410 42.3214 178.8643 94 E 4.1367 8.2733 118.6744 59.0386 29.2674 179.2878 95 L 4.0163 7.8907 118.8768 57.5985 41.5955 179.2218 96 K 3.8871 7.9112 119.2455 59.6264 31.6101 178.5451 97 A 4.0471 8.1618 120.8841 55.4070 17.7649 179.4170 98 T 4.1447 7.7804 113.2801 65.6022 68.7421 177.2884 99 K 4.0138 7.8796 121.8989 59.4341 32.2885 178.5776 100 D 4.4061 7.9419 119.0829 57.3734 40.6803 178.8380 101 L 4.0518 7.6748 118.5085 57.7045 41.6209 179.7578 102 R 3.9356 7.7500 117.4916 59.1848 30.0655 178.8451 103 E 3.9432 8.3404 118.2053 59.5282 29.4999 179.4172 104 A 3.6619 8.0110 120.5526 54.7214 18.3513 179.8989 105 I 3.6470 7.7276 118.7695 64.3931 37.3497 178.3613 106 V 3.5759 7.7200 119.2074 66.6094 31.2780 177.5914 107 H 4.0942 8.1033 117.4641 59.4019 29.6832 176.9791 108 C 4.0709 8.0146 118.6544 62.7487 27.7132 175.6956 109 E 3.9163 7.9883 119.9959 59.1938 29.2698 178.3874 110 Q 4.0609 7.7268 118.4733 58.7682 29.2963 177.6840 111 V 3.8609 7.2971 109.9235 61.1814 31.9952 176.3243 112 H 3.3435 7.7353 115.2068 56.2035 26.7692 176.3565 113 D 4.5246 7.2928 120.9865 53.7207 38.7063 175.8133 114 Y 4.3260 7.7088 122.2456 60.2898 38.2444 177.3389 115 V 3.7150 7.8507 118.9693 65.8071 31.7426 178.1039 116 S 4.2086 8.0632 114.2332 61.2407 62.6362 176.3701 117 R 3.9248 7.9162 121.1811 59.5357 29.7851 178.0912 118 D 4.4173 7.8540 117.7308 56.9275 41.2167 178.0142 119 L 4.0095 7.6635 121.2479 57.9823 42.0904 178.9151 120 L 4.0194 8.0922 119.0763 57.3730 41.5765 179.1840 121 K 3.8869 8.4537 120.1049 59.6408 32.2598 178.4219 122 D 4.3726 8.1421 118.9044 57.6590 40.7377 178.9087 123 I 3.5575 7.7600 120.1036 64.1803 36.9661 178.2846 124 L 3.9397 8.3421 121.6084 58.0885 41.9494 178.5554 125 E 3.9229 8.2587 119.2722 59.4826 29.5816 178.8082 126 S 4.1599 8.0534 112.7639 61.4548 62.3412 175.9911 127 E 4.2439 8.7053 121.6861 59.2579 29.2221 179.0440 128 E 4.0997 8.4523 118.9307 58.8887 29.5344 179.0084 129 E 3.9991 8.3874 119.0204 59.8211 29.6059 178.8786 130 H 4.4299 8.4306 117.9379 59.0753 29.7227 177.4793 131 I 3.7368 7.5558 122.1535 64.2704 37.0278 177.3728 132 D 4.3676 8.0288 118.8081 57.7001 40.9093 177.9677 133 Y 4.0360 8.1493 119.5823 60.6752 38.8913 178.0364 134 L 3.6633 7.8128 119.7022 57.8855 41.7689 179.2303 135 E 3.9138 8.3858 118.7925 59.8772 29.3100 179.6888 136 T 3.8258 7.7676 115.5503 66.5619 68.3860 176.7126 137 Q 3.7580 7.6685 119.7827 58.8457 28.6229 178.3927 138 L 3.8359 7.6388 120.0967 58.1032 41.6690 180.0486 139 G 3.5976 8.3186 105.5061 47.8650 0.0000 175.7069 140 L 4.0374 7.9436 121.4448 57.4356 41.5862 179.4702 141 I 3.5678 7.6672 120.2131 64.4189 36.7611 178.4635 142 Q 3.9386 7.4864 117.3788 59.0251 28.6669 178.7516 143 K 4.1405 8.2497 118.4825 58.6785 32.2077 178.3288 144 V 4.1840 8.3653 109.7805 60.5029 33.3456 176.5815 145 G 3.9531 8.0976 107.9840 45.7317 0.0000 173.9730 146 L 3.9419 8.7826 124.6241 58.5468 42.0928 179.5506 147 E 3.9893 8.1659 117.5430 59.1866 29.4051 179.1213 148 N 4.2862 8.0911 116.2682 56.5033 38.5902 176.2799 149 Y 4.0737 8.1721 119.8980 61.1047 39.0428 178.2126 150 L 4.0980 8.3693 119.7710 57.6028 41.7252 179.0367 151 Q 3.9193 7.9926 119.4806 59.3798 28.8053 178.3088 152 S 4.3335 7.9053 113.2485 59.9949 63.2068 174.4252 153 H 4.6770 7.5651 118.7921 55.6988 29.6623 175.9910 154 M 4.1957 8.1191 121.9824 57.5584 31.9692 176.4009 155 H 5.2196 7.7343 113.1782 54.1852 31.2531 174.5973 156 E 4.2403 8.5582 119.6789 56.6342 29.5751 176.2084 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 G 8.35 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.57 4.07 0.00 2.86 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.61 3.90 0.00 1.84 1.78 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.52 7.81 6 K 8.12 4.13 0.00 1.93 1.59 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.56 7.81 7 V 8.43 3.64 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.04 0.00 0.00 8 I 7.71 3.84 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.91 0.91 0.00 0.00 9 Q 7.71 3.98 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 10 H 8.37 4.19 0.00 3.33 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.49 4.01 0.00 1.80 1.74 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.36 4.38 0.00 2.98 2.85 0.00 0.00 6.62 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.98 3.95 0.00 1.84 1.99 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 14 I 7.98 3.69 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.99 0.92 0.00 0.00 15 L 8.23 4.06 0.00 1.84 1.84 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.20 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.13 4.26 0.00 2.93 2.88 0.00 0.00 7.09 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.31 4.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 19 L 7.95 4.04 0.00 1.82 1.68 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.33 3.67 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.78 0.90 0.00 0.00 21 A 7.78 3.24 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.86 3.60 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.09 0.87 0.00 0.00 23 N 7.76 4.37 0.00 2.73 2.83 0.00 0.00 6.74 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.29 3.84 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.61 2.29 0.00 25 Y 8.05 4.68 0.00 3.04 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.52 3.87 0.00 3.34 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.29 3.98 0.00 1.81 1.79 0.87 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.38 3.82 0.00 3.52 3.02 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.38 4.36 0.00 4.05 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.99 3.85 0.00 2.11 1.89 0.00 3.04 0.00 0.00 2.88 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 31 M 7.98 3.53 0.00 0.86 1.58 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.19 0.00 32 W 7.74 4.55 0.00 3.74 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.52 4.40 0.00 2.86 2.86 0.00 0.00 6.68 8.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.76 4.34 0.00 2.61 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 8.02 4.76 0.00 3.76 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.39 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.03 4.85 0.00 1.96 1.61 1.32 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.52 4.15 0.00 2.06 1.86 0.00 1.67 0.00 0.00 1.60 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 39 R 7.85 3.94 0.00 2.04 1.89 0.00 3.19 0.00 0.00 2.98 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 40 L 7.74 3.87 0.00 1.31 0.17 0.44 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.25 4.09 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.12 4.00 0.00 3.27 3.22 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.27 4.05 0.00 2.57 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.72 0.00 45 Y 8.18 3.98 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.25 4.01 0.00 3.32 3.24 0.00 5.88 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.05 3.83 0.00 2.01 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 48 S 8.30 4.26 0.00 4.09 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.47 3.56 1.78 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.05 0.82 0.00 0.00 50 D 8.06 4.24 0.00 2.92 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.07 4.05 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.67 0.00 52 M 7.96 4.04 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.54 0.00 53 K 8.02 4.02 0.00 1.92 1.83 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.61 7.81 54 H 8.26 4.29 0.00 3.43 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.22 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.18 4.26 0.00 2.94 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.97 4.08 0.00 2.00 1.86 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.72 7.81 58 L 7.92 4.09 0.00 1.89 1.72 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.96 3.79 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.36 0.92 0.00 0.00 60 E 8.28 4.07 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 61 R 7.90 4.08 0.00 1.99 1.97 0.00 3.29 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 62 I 7.89 3.72 2.10 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.49 0.92 0.00 0.00 63 L 7.88 4.21 0.00 2.08 1.78 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.06 4.39 0.00 3.05 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.73 4.12 0.00 1.65 1.59 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.62 3.70 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 67 G 8.23 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.97 4.56 0.00 1.60 1.60 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.35 0.00 2.04 1.99 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 9.34 4.67 0.00 2.61 2.85 0.00 0.00 7.10 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.32 4.63 0.00 1.62 1.62 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.52 4.20 0.00 1.96 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.29 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 73 D 8.13 4.55 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.27 4.45 0.00 1.53 1.55 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.29 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.34 4.19 0.00 1.70 1.72 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.51 7.81 77 L 8.41 4.15 0.00 1.63 1.56 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.63 4.48 0.00 1.80 1.67 1.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.84 4.22 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.75 0.89 0.00 0.00 80 G 8.64 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 10.78 4.67 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 82 N 7.82 5.02 0.00 2.88 2.82 0.00 0.00 6.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.70 4.45 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 84 Q 8.19 3.94 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 85 E 8.66 4.02 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 86 M 8.20 3.98 0.00 1.34 2.07 0.00 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.16 0.00 87 L 8.12 4.12 0.00 1.89 1.73 0.87 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.13 3.97 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 89 C 8.77 4.24 0.00 3.25 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.49 4.68 0.00 2.96 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.32 4.00 0.00 1.81 1.86 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.33 4.41 0.00 2.97 2.88 0.00 0.00 6.66 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.19 4.05 0.00 1.90 2.02 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.27 4.14 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.52 0.00 95 L 7.89 4.02 0.00 1.75 1.73 0.94 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.91 3.89 0.00 1.84 2.09 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.53 7.81 97 A 8.16 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.78 4.14 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 99 K 7.88 4.01 0.00 1.79 1.94 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 100 D 7.94 4.41 0.00 2.94 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.67 4.05 0.00 1.88 1.72 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.75 3.94 0.00 2.04 1.98 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 103 E 8.34 3.94 0.00 2.27 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 104 A 8.01 3.66 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.73 3.65 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.82 0.93 0.00 0.00 106 V 7.72 3.58 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.02 0.00 0.00 107 H 8.10 4.09 0.00 3.33 3.36 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.01 4.07 0.00 3.19 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 7.99 3.92 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 110 Q 7.73 4.06 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 111 V 7.30 3.86 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.86 0.00 0.00 112 H 7.74 3.34 0.00 3.11 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.29 4.52 0.00 2.65 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.71 4.33 0.00 3.11 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.85 3.71 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.98 0.00 0.00 116 S 8.06 4.21 0.00 3.99 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 7.92 3.92 0.00 1.92 2.21 0.00 3.25 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 118 D 7.85 4.42 0.00 3.01 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.66 4.01 0.00 1.89 1.82 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.09 4.02 0.00 1.75 1.70 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.45 3.89 0.00 2.13 1.99 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.36 7.81 122 D 8.14 4.37 0.00 2.91 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.76 3.56 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.99 0.75 0.00 0.00 124 L 8.34 3.94 0.00 1.79 1.95 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.26 3.92 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 126 S 8.05 4.16 0.00 4.04 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.71 4.24 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.54 0.00 128 E 8.45 4.10 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 129 E 8.39 4.00 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 130 H 8.43 4.43 0.00 3.27 3.51 0.00 5.60 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.56 3.74 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.70 0.94 0.00 0.00 132 D 8.03 4.37 0.00 2.97 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 8.15 4.04 0.00 3.19 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 7.81 3.66 0.00 2.02 1.64 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.39 3.91 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 136 T 7.77 3.83 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 137 Q 7.67 3.76 0.00 1.87 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 1.42 1.91 0.00 138 L 7.64 3.84 0.00 1.89 1.65 0.81 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.32 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.94 4.04 0.00 1.84 1.88 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.67 3.57 1.74 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.05 0.80 0.00 0.00 142 Q 7.49 3.94 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 143 K 8.25 4.14 0.00 1.70 1.87 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.69 7.81 144 V 8.37 4.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.11 0.00 0.00 145 G 8.10 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.78 3.94 0.00 1.76 1.70 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.17 3.99 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 148 N 8.09 4.29 0.00 3.12 2.89 0.00 0.00 6.76 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 8.17 4.07 0.00 2.95 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.37 4.10 0.00 1.75 1.72 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 7.99 3.92 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 152 S 7.91 4.33 0.00 3.86 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 7.57 4.68 0.00 2.95 3.04 0.00 5.81 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 8.12 4.20 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.45 0.00 155 H 7.73 5.22 0.00 3.08 3.15 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.56 4.24 0.00 1.93 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00