NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4627 8.3044 120.3512 54.8935 33.7481 176.1131 2 V 4.4089 7.4315 116.4295 60.3246 32.3477 170.6630 3 Y 4.4220 8.5177 125.7415 57.3875 40.9107 173.5783 4 Q 4.7613 7.8419 127.1277 54.0261 30.5252 175.5261 5 V 3.6363 7.7482 119.8382 61.6156 31.8618 176.4546 6 K 4.2769 8.3578 121.3172 57.5120 33.6819 176.4677 7 D 4.4067 7.5134 116.7672 51.3506 42.6407 176.1368 8 K 3.8037 8.4702 119.3595 59.8193 31.8029 178.0145 9 A 3.9611 8.1152 120.1463 55.4409 18.1807 178.9891 10 D 4.3509 8.3307 116.3139 57.1574 41.1961 178.3860 11 L 4.0066 8.1421 121.1933 58.2819 42.2373 178.3932 12 D 4.5386 8.7751 119.3104 57.5759 40.7677 179.2738 13 G 3.6524 8.3392 106.0776 47.7826 0.0000 175.5644 14 Q 4.0074 7.8336 121.6257 58.9226 28.8568 178.3124 15 L 4.0322 7.8903 119.1680 58.0287 41.7519 179.2730 16 T 4.0250 7.6492 114.5299 66.6362 68.7802 176.5115 17 K 4.1480 8.3106 120.7252 58.5889 32.1012 177.8259 18 A 3.9387 8.0456 120.0255 52.2868 18.5454 179.5893 19 S 3.4895 8.0027 117.3106 60.2067 65.0372 173.2743 20 G 4.2231 8.8075 106.0154 44.9935 0.0000 173.0291 21 K 4.4971 7.7502 118.7591 54.6003 34.1848 176.3058 22 L 4.2933 8.5972 124.5411 54.8422 43.5017 175.4793 23 V 4.7346 9.2764 126.8596 61.1916 33.9759 174.2121 24 V 4.4340 8.7094 128.4026 61.1012 33.7828 174.0566 25 L 4.5961 8.5604 129.1856 53.3980 43.4668 175.1849 26 D 4.3066 8.8779 125.1338 52.5329 42.7569 175.3570 27 F 4.9355 8.6019 127.2744 56.4626 40.0766 175.0882 28 F 5.2536 8.8677 118.7117 54.9220 41.9795 173.3726 29 A 4.4070 7.9609 118.4531 50.1585 21.6290 177.7204 30 T 3.8905 8.4563 111.9216 64.2418 69.0461 175.1969 31 W 4.5485 7.4348 116.3486 56.3637 28.6261 174.9500 32 C 4.4909 7.2219 121.2199 57.8393 31.9675 173.9026 33 G 3.8842 9.0339 114.5799 47.9419 0.0000 172.9564 34 P 4.3345 0.0000 0.0000 65.4643 30.7473 178.4991 35 C 4.1813 7.8222 115.4725 62.7654 27.8100 176.2985 36 K 4.0669 7.7351 118.6483 59.3767 31.6308 179.1772 37 M 4.2130 7.8725 118.1276 58.3879 32.4992 178.0680 38 I 3.9907 7.7534 117.7308 62.9676 38.1837 177.6653 39 S 4.1163 7.7002 114.5571 61.3385 62.5465 174.7708 40 P 4.2079 0.0000 0.0000 65.2290 31.0844 178.4597 41 K 3.9767 8.0073 118.0020 59.1602 32.0836 178.4935 42 L 3.9116 7.7130 120.3401 58.1941 42.0959 179.1485 43 V 3.5887 7.7494 118.2279 65.7736 31.3370 177.5412 44 E 3.8717 8.1449 119.0171 59.2888 29.4956 178.7167 45 L 4.0445 8.0808 118.9917 57.9719 41.5476 179.2993 46 S 4.1538 8.2152 112.0108 62.0153 62.2993 176.2308 47 T 4.0349 7.7765 117.0189 66.6139 68.3163 176.4292 48 Q 3.8877 8.2058 120.8565 57.8586 29.4600 176.6744 49 F 4.9583 8.2047 118.9050 56.3060 39.6598 177.1685 50 A 4.1796 8.2625 124.9778 54.7352 18.2827 178.7399 51 D 4.8684 8.1075 112.7029 54.3516 42.5651 176.3265 52 N 5.0425 8.3372 115.2382 52.8616 40.6422 174.3853 53 V 5.1236 7.7958 117.9872 60.9798 35.1969 174.5614 54 V 4.5055 8.8239 125.8363 59.8833 34.3439 174.2529 55 V 4.6534 8.5489 124.5997 61.0644 33.4458 174.4574 56 L 4.8251 8.9745 128.5205 52.8971 44.1419 175.7544 57 K 4.5341 8.9809 125.2700 55.7214 33.8223 176.4388 58 V 4.1439 8.9577 125.0488 60.8496 34.0743 174.2644 59 D 3.8840 8.4268 129.2785 53.3832 40.9721 176.8380 60 V 3.5744 7.9899 121.2173 64.5847 31.5639 178.1089 61 D 4.4958 8.1151 119.9515 57.0105 40.8994 177.4232 62 E 4.1817 8.2415 117.2081 58.0450 30.7217 176.8397 63 C 4.9007 7.9953 116.8265 58.1977 28.2128 174.6172 64 E 4.0487 8.2048 122.7628 59.9259 29.5415 179.1288 65 D 4.3889 8.0916 118.3175 56.4895 39.3806 178.7115 66 I 3.8915 7.7755 120.4271 64.1993 37.3359 177.8938 67 A 3.9519 8.2746 121.7390 55.4903 18.1624 179.4178 68 M 3.9461 8.4971 117.0650 58.6584 32.1068 178.0824 69 E 3.8850 8.0601 118.6567 59.0245 29.8955 177.4614 70 Y 4.0803 8.0101 113.7662 56.5025 39.3368 174.7366 71 N 4.0476 7.6012 117.8228 54.5133 37.7009 174.1449 72 I 4.0077 7.7454 118.9793 61.0533 38.3630 176.9955 73 S 4.6814 8.3690 115.4405 57.6831 64.9432 173.9296 74 S 4.7304 7.8367 116.2723 57.0406 66.3990 172.8660 75 M 4.5784 8.5438 123.3044 52.8552 34.2672 173.8785 76 P 4.7896 0.0000 0.0000 62.1459 34.2654 174.5122 77 T 4.8380 7.9026 116.1841 61.6746 72.3321 173.0277 78 F 5.0644 8.6335 124.3783 55.4978 41.9626 174.3802 79 V 4.6520 8.2072 123.5888 61.0426 34.2031 173.9932 80 F 5.2572 9.4633 127.0847 55.8264 41.2324 174.6089 81 L 5.4028 9.3100 123.9618 52.7750 45.2882 175.5953 82 K 4.5667 8.8816 124.3724 54.8269 35.4136 175.9790 83 N 3.9590 9.7093 126.4334 54.5020 35.9410 176.3208 84 G 3.9922 8.2236 104.2653 45.6897 0.0000 173.6553 85 V 4.0703 7.4200 120.2817 61.1659 32.6109 175.0779 86 K 4.7112 8.4622 128.2688 55.8080 30.9949 176.4599 87 V 3.9429 8.4751 121.0231 64.0306 32.2658 175.9130 88 E 4.8405 8.0263 118.8925 55.8256 33.0658 173.5894 89 E 5.9661 9.0096 120.4312 56.4909 32.5393 174.3631 90 F 5.0539 8.3227 118.6587 56.3732 40.8331 172.8534 91 A 4.9595 8.9583 123.3774 51.3015 21.1131 177.3177 92 G 4.1181 9.3961 108.3009 45.6037 0.0000 174.9014 93 A 4.5568 8.3329 125.4329 51.0112 17.2411 179.1049 94 N 4.7296 7.9481 120.6749 50.9007 38.7895 173.5327 95 A 4.0341 8.3895 128.3103 55.0055 18.5858 179.2473 96 K 3.9160 8.0141 116.1321 59.6664 32.2747 179.5081 97 R 3.7759 8.1363 118.9360 58.9039 29.9785 178.3006 98 L 4.1844 7.9945 120.5130 58.2208 42.1352 178.6315 99 E 4.0270 8.1378 118.9347 59.1695 29.5320 178.4963 100 D 4.2950 8.0425 119.2325 57.1849 40.6335 178.8781 101 V 3.3459 7.5116 117.8065 65.8152 31.4561 177.8642 102 I 3.7499 7.4487 119.1592 64.4014 36.7659 178.6479 103 K 3.7575 7.7854 117.3333 58.5994 31.9315 178.6224 104 A 4.2768 7.5754 119.5748 53.0869 18.6834 177.4883 105 N 4.8849 7.4300 112.8071 52.6030 39.9099 174.6299 106 I 3.9706 7.5989 117.6687 60.9709 37.9621 175.4525 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 1 M 8.30 4.46 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 2 V 7.43 4.41 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 0.64 0.00 0.00 0.91 0.00 0.00 3 Y 8.52 4.42 0.00 2.99 2.82 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 4 Q 7.84 4.76 0.00 1.96 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.80 0.00 0.00 0.00 0.00 0.00 2.13 2.51 0.00 5 V 7.75 3.64 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 0.58 0.00 0.00 0.78 0.00 0.00 6 K 8.36 4.28 0.00 1.75 1.83 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.45 7.81 7 D 7.51 4.41 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.47 3.80 0.00 1.93 1.90 0.00 1.78 0.00 0.00 1.90 0.00 0.00 3.17 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.54 1.73 7.81 9 A 8.12 3.96 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.33 4.35 0.00 3.00 2.95 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 11 L 8.14 4.01 0.00 1.79 1.85 0.87 1.54 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 12 D 8.78 4.54 0.00 2.79 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.34 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.83 4.01 0.00 2.55 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 15 L 7.89 4.03 0.00 1.84 1.75 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.65 4.02 4.41 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 1.22 0.00 0.00 17 K 8.31 4.15 0.00 1.91 1.97 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 18 A 8.05 3.94 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.00 3.49 0.00 3.95 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.81 4.22 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 0.00 0.00 0.00 21 K 7.75 4.50 0.00 1.68 1.90 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.39 7.81 22 L 8.60 4.29 0.00 1.79 1.65 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 23 V 9.28 4.73 2.20 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 0.73 0.00 0.00 0.95 0.00 0.00 24 V 8.71 4.43 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 0.33 0.00 0.00 0.99 0.00 0.00 25 L 8.56 4.60 0.00 1.28 0.81 0.54 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.88 4.31 0.00 2.77 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.60 4.94 0.00 2.94 2.82 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 28 F 8.87 5.25 0.00 2.99 3.11 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 29 A 7.96 4.41 0.09 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 0.00 0.00 30 T 8.46 3.89 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 31 W 7.43 4.55 0.00 3.59 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 7.22 4.49 0.00 1.69 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.03 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 0.00 0.00 0.00 34 P 0.00 4.33 0.00 2.18 2.18 0.00 3.55 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 35 C 7.82 4.18 0.00 3.03 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.74 4.07 0.00 1.86 1.87 0.00 1.71 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.66 7.81 37 M 7.87 4.21 0.00 2.02 2.31 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 2.63 2.61 0.00 38 I 7.75 3.99 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.32 1.17 0.00 0.00 39 S 7.70 4.12 0.00 4.03 4.01 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 40 P 0.00 4.21 0.00 2.18 2.13 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 41 K 8.01 3.98 0.00 1.87 1.97 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.57 7.81 42 L 7.71 3.91 0.00 2.00 1.76 0.91 0.73 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 43 V 7.75 3.59 2.20 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 0.92 0.00 0.00 0.93 0.00 0.00 44 E 8.14 3.87 0.00 2.16 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 0.00 2.27 2.32 0.00 45 L 8.08 4.04 0.00 1.94 1.93 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.22 4.15 0.00 3.90 4.12 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 0.00 0.00 0.00 0.00 47 T 7.78 4.03 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 48 Q 8.21 3.89 0.00 1.80 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.43 0.00 0.00 0.00 0.00 0.00 1.52 2.04 0.00 49 F 8.20 4.96 0.00 3.19 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.26 4.18 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.11 4.87 0.00 2.69 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 52 N 8.34 5.04 0.00 2.68 2.81 0.00 0.00 6.21 7.82 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 53 V 7.80 5.12 2.18 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 0.91 0.00 0.00 0.89 0.00 0.00 54 V 8.82 4.51 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 0.83 0.00 0.00 0.96 0.00 0.00 55 V 8.55 4.65 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.94 0.00 0.00 56 L 8.97 4.83 0.00 1.37 1.40 1.05 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.98 4.53 0.00 1.68 1.76 0.00 1.32 0.00 0.00 0.98 0.00 0.00 2.42 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.04 1.16 7.81 58 V 8.96 4.14 1.33 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 0.86 0.00 0.00 0.35 0.00 0.00 59 D 8.43 3.88 0.00 2.41 2.34 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 0.00 0.00 0.00 0.00 60 V 7.99 3.57 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.87 0.00 0.00 61 D 8.12 4.50 0.00 2.90 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.24 4.18 0.00 2.01 1.95 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 2.26 2.28 0.00 63 C 8.00 4.90 0.00 2.94 2.88 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 64 E 8.20 4.05 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 65 D 8.09 4.39 0.00 2.92 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 66 I 7.78 3.89 2.14 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.65 1.25 0.00 0.00 67 A 8.27 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.50 3.95 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 69 E 8.06 3.88 0.00 2.10 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 1.89 2.18 0.00 70 Y 8.01 4.08 0.00 2.53 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 71 N 7.60 4.05 0.00 2.78 2.76 0.00 0.00 7.13 7.95 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 72 I 7.75 4.01 1.69 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.01 0.75 0.00 0.00 73 S 8.37 4.68 0.00 3.91 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 74 S 7.84 4.73 0.00 3.82 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 M 8.54 4.58 0.00 1.75 1.75 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 76 P 0.00 4.79 0.00 1.41 1.99 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.05 0.00 77 T 7.90 4.84 4.10 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 0.00 0.00 1.09 0.00 0.00 78 F 8.63 5.06 0.00 2.19 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 0.00 0.00 0.00 79 V 8.21 4.65 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 1.17 0.00 0.00 1.04 0.00 0.00 80 F 9.46 5.26 0.00 3.25 2.99 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 0.00 0.00 0.00 81 L 9.31 5.40 0.00 1.54 1.59 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.88 4.57 0.00 1.81 1.64 0.00 1.92 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.42 7.81 83 N 9.71 3.96 0.00 2.95 2.85 0.00 0.00 7.06 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.22 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.42 4.07 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 1.05 0.00 0.00 0.96 0.00 0.00 86 K 8.46 4.71 0.00 1.85 1.83 0.00 1.99 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.60 7.81 87 V 8.48 3.94 2.11 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 0.70 0.00 0.00 1.07 0.00 0.00 88 E 8.03 4.84 0.00 2.03 1.72 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 2.13 2.59 0.00 89 E 9.01 5.97 0.00 2.11 1.88 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 2.23 2.28 0.00 90 F 8.32 5.05 0.00 3.14 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.96 4.96 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 92 G 9.40 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.33 4.56 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.95 4.73 0.00 2.80 2.70 0.00 0.00 6.90 7.92 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 95 A 8.39 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.01 3.92 0.00 1.93 1.83 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.48 7.81 97 R 8.14 3.78 0.00 1.57 1.18 0.00 2.21 0.00 0.00 2.72 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.31 0.00 98 L 7.99 4.18 0.00 1.82 1.84 0.63 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.14 4.03 0.00 2.14 1.93 0.00 0.00 0.00 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 2.46 0.00 100 D 8.04 4.29 0.00 2.82 2.60 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 0.00 101 V 7.51 3.35 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 0.75 0.00 0.00 102 I 7.45 3.75 1.76 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.88 0.46 0.00 0.00 103 K 7.79 3.76 0.00 1.73 1.80 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.36 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.36 1.50 7.81 104 A 7.58 4.28 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.43 4.88 0.00 2.59 2.76 0.00 0.00 6.91 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.60 3.97 1.78 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.48 0.79 0.00 0.00