NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.6232 8.3149 120.0860 56.4137 33.6513 174.6923 6 I 4.4936 8.9684 125.6047 58.5170 41.5877 169.2658 7 V 4.9062 9.0178 125.0513 60.6099 33.9004 173.8143 8 L 4.9619 8.6198 128.3773 53.2718 44.0405 175.9815 9 K 4.3451 8.7825 125.1621 54.8130 32.4490 176.4991 10 S 4.6547 8.4349 119.9624 58.1840 63.0672 174.9208 11 S 4.1832 8.7528 115.3670 60.1434 62.3911 173.5853 12 D 4.9053 7.3197 119.6984 53.8362 39.1420 177.1691 13 G 3.9665 8.2585 104.3091 47.4517 0.0000 171.9660 14 E 4.7424 7.8347 121.6440 55.1078 32.4152 174.0239 15 S 4.5901 8.5314 119.3264 58.9816 64.2226 173.6915 16 F 4.5691 8.6515 119.4668 55.5800 42.5020 173.7894 17 E 4.4032 8.9559 125.9238 56.0803 29.9404 176.0517 18 V 4.6726 8.5171 119.4359 59.5131 36.5870 175.7767 19 E 4.3878 8.6426 122.4288 55.5849 30.0320 176.8322 20 E 3.9831 8.1966 119.3884 59.5173 29.2849 177.3380 21 A 4.3066 7.5572 120.2960 52.9498 18.6776 178.7812 22 V 3.7366 7.5672 117.9098 65.4358 31.7634 177.1398 23 A 4.2878 7.5422 118.3485 53.2007 17.1865 177.7023 24 L 4.4032 7.6441 115.1979 55.1827 42.4354 178.5103 25 E 4.0462 7.7035 117.3138 58.5773 29.6253 176.8441 26 S 4.4746 7.4474 112.9850 56.7887 61.8775 174.2284 27 Q 4.2578 8.5958 124.5258 57.4007 27.9809 178.3010 28 T 4.2021 7.7802 116.6599 64.6846 69.4816 176.7617 29 I 4.0647 7.9294 121.6614 62.5033 38.4937 178.0651 30 A 3.9167 8.0376 123.3017 55.7115 18.2945 178.6312 31 H 4.4900 7.7042 108.3456 56.8364 28.1812 175.5349 32 M 4.8538 7.9278 118.0906 55.3628 32.5549 176.7799 33 V 4.1977 7.5477 108.7002 61.4573 31.9536 176.8937 34 E 4.1531 7.4738 120.2908 58.7908 30.1704 177.6668 35 D 4.5858 7.7117 121.4684 52.7119 39.3521 176.1154 36 D 4.6221 7.8609 120.2236 54.3979 38.4443 175.7614 37 C 4.4953 8.4606 121.7290 59.9682 28.6237 175.8632 38 V 3.7596 7.6248 120.4433 64.6079 31.1698 177.2309 39 D 4.3562 7.4901 118.4010 58.4640 40.7689 177.2480 40 N 4.6835 8.1048 113.6355 52.8101 38.6981 173.7016 41 G 4.0750 7.7553 110.2455 44.7900 0.0000 174.4624 42 V 3.7841 8.1486 122.1240 61.0199 32.3720 173.4120 43 P 4.9388 0.0000 0.0000 61.6852 32.3751 176.8690 44 L 4.8481 8.5966 124.2606 53.2958 40.5855 175.0122 45 P 4.4601 0.0000 0.0000 64.0187 31.2617 176.5511 46 N 4.7007 8.0531 113.9507 52.4888 39.2744 174.2244 47 V 4.1948 7.4174 118.9300 60.5323 33.5288 174.9127 48 T 4.1681 8.3820 121.4382 62.6629 69.2585 174.3492 49 S 4.2704 8.7146 120.8864 60.5842 62.1253 176.3551 50 K 4.0353 8.0916 122.1752 59.3426 31.9392 178.7671 51 I 3.7732 7.6087 119.5619 64.3714 37.5057 177.6502 52 L 3.8377 7.9835 120.9001 58.1867 41.5407 178.9632 53 A 4.0165 7.8057 120.0201 55.3233 17.9384 179.9128 54 K 4.2477 7.7987 116.0912 59.2351 32.0096 180.0177 55 V 3.7727 7.9384 119.0044 66.2336 31.5545 178.1794 56 I 3.7871 7.6926 119.1909 64.3316 36.3609 178.0636 57 E 4.1473 8.2303 120.0555 59.1349 29.4445 178.3839 58 Y 3.9894 7.6757 118.8725 60.8119 38.8857 177.2726 59 C 3.8535 8.1432 117.6085 62.6712 28.2417 175.7362 60 K 3.7401 8.3205 121.5592 59.9830 31.4514 178.5042 61 R 3.6371 7.1246 115.9862 59.4776 29.8758 177.8769 62 H 4.0611 7.8363 116.0854 58.4997 28.8307 177.6162 63 V 3.5507 7.9309 120.4494 65.7440 31.4333 176.8507 64 E 4.3633 7.6004 116.4070 56.5873 28.7758 176.9706 65 A 4.4338 7.3395 119.3001 51.7818 19.9672 178.5894 66 A 4.0885 7.4303 118.6824 55.3651 19.3217 180.4947 67 A 4.3246 7.4412 120.1527 51.7610 16.9261 178.4289 *80 D 4.6152 8.6265 112.7800 55.1409 43.0686 177.2951 81 D 4.4776 8.0746 118.9326 57.1547 41.6705 177.0017 82 D 4.7234 7.9456 116.2912 54.7326 41.1510 178.3196 83 L 4.0919 7.6724 120.7443 57.7644 41.9540 179.0196 84 K 4.3147 7.6434 117.9366 58.8548 31.9074 179.0664 85 A 4.0492 7.4182 121.6810 54.7376 18.5953 179.1856 86 W 4.2542 8.2230 125.8293 60.6919 30.4713 177.9250 87 D 4.3793 9.0199 118.7579 57.5758 40.1711 178.5277 88 A 3.9922 7.5910 119.4052 55.4290 18.5968 178.8413 89 D 4.3278 8.0675 116.2377 57.1548 41.1056 178.2236 90 F 3.9031 8.0285 120.7273 61.0473 39.2891 176.4115 91 M 3.9685 7.3695 116.5195 56.0034 33.3120 177.2141 92 K 4.2016 7.2653 119.5206 56.5279 29.6574 174.8306 93 I 4.5458 6.8592 113.8208 57.8205 41.5573 175.8922 94 D 4.5366 8.0427 120.2262 52.6346 41.5070 176.9583 95 Q 3.3449 8.2466 118.2100 59.0329 28.5706 178.8518 96 A 3.9000 7.8045 120.9844 55.6058 18.2840 179.8254 97 T 3.7989 7.5400 113.5593 66.6638 68.6822 176.3739 98 L 3.7900 7.4993 122.2083 58.4229 41.9009 179.2402 99 F 4.5840 7.9565 117.2918 60.9082 38.5088 177.5646 100 E 4.1145 8.0335 117.8923 58.9163 29.1078 179.6131 101 L 4.0532 7.6985 119.0753 57.5996 41.8201 179.0950 102 I 3.6999 7.5033 119.8013 64.6189 36.9942 178.3603 103 L 4.0117 8.0433 119.3627 57.7868 41.3039 179.6443 104 A 4.1375 7.7223 119.4901 55.0281 18.7628 179.5140 105 A 4.0207 8.7765 119.5265 54.8138 18.1647 178.6388 106 N 4.5845 8.0371 113.8199 55.1719 39.3850 175.9378 107 Y 4.4071 7.6318 120.2696 61.4113 39.4825 175.5437 108 L 4.3356 8.3475 124.3268 53.7462 42.2095 177.7628 109 N 4.9591 8.3134 114.4527 53.6572 39.2743 176.8955 110 I 4.2742 7.7897 121.8543 59.3449 37.0540 176.9171 111 K 3.9668 8.3573 127.0405 59.0529 32.4379 178.7750 112 N 4.5589 8.1840 115.8404 55.1964 37.7389 176.1864 113 L 3.7543 8.2118 119.8001 56.2664 42.1790 177.4950 114 L 4.4939 7.3106 119.6629 56.2833 42.6896 177.3832 115 D 4.5546 7.5830 117.2343 55.7559 41.0525 177.0724 116 L 4.4972 7.5902 120.3419 57.0664 43.4582 178.0857 117 T 3.8735 7.3458 108.2520 64.9990 68.7028 176.3785 118 C 4.2695 8.1400 119.7267 62.5460 28.0435 175.8358 119 Q 4.1931 8.0651 118.9750 58.9652 28.7115 178.1055 120 T 4.0796 7.7152 116.7999 66.6433 68.5999 176.9478 121 V 3.7417 7.6895 120.0642 66.0401 31.6188 177.9111 122 A 4.0958 8.5713 120.8873 55.2126 17.8055 179.2031 123 D 4.4499 7.9192 117.4434 57.3237 40.7162 178.7477 124 M 4.1649 7.8565 118.6897 57.8843 32.0507 178.2620 125 I 4.3816 7.3095 116.8818 62.8768 37.9920 174.4755 126 K 4.2232 7.6652 121.5579 59.2139 31.9594 174.8836 127 G 3.6349 8.6139 115.3502 45.5427 0.0000 172.8774 128 K 4.4576 8.2566 119.1808 55.5509 32.9109 177.1517 129 T 4.4255 8.1777 111.6971 60.2023 71.5528 173.8492 130 P 4.2949 0.0000 0.0000 65.6577 31.1705 178.6555 131 E 3.9793 8.0830 117.5741 59.4910 29.3955 178.3376 132 E 4.0242 7.9544 118.6274 59.9057 29.2113 179.1451 133 I 4.0960 7.7179 119.9006 63.9489 37.6687 178.1050 134 R 4.1742 8.1396 117.0520 59.2673 29.3006 178.5918 135 T 3.9935 8.1446 118.0166 66.4913 68.3120 176.3981 136 T 4.5025 7.8643 110.8644 61.7305 70.1968 175.4432 137 F 4.6279 8.5121 117.0027 58.1864 45.3281 173.7665 138 N 4.1803 8.1765 118.3967 54.3173 36.3508 172.2211 139 I 4.4485 8.4889 118.8719 58.6282 40.1689 175.9543 140 K 4.0632 8.6075 125.3915 55.9578 32.7019 176.3580 141 N 4.2081 8.8022 123.6567 53.9053 39.0746 173.8187 142 D 4.8574 8.1395 124.2247 52.8633 40.0410 175.4007 143 F 4.8659 8.1022 119.4865 57.5531 39.3275 176.3984 144 T 4.0458 8.4281 117.2303 61.5109 70.4168 173.6339 145 P 4.3398 0.0000 0.0000 65.3210 31.2925 179.0208 146 E 3.9012 8.0895 117.4896 59.3542 29.4551 178.5662 147 E 3.8343 7.7067 117.4509 59.6524 29.6246 179.0027 148 E 3.2670 7.9322 118.9353 59.1254 29.5535 178.6925 149 E 3.7189 7.9619 119.1511 59.0899 29.7908 178.1699 150 E 3.7551 8.2718 119.7894 59.3621 29.5585 179.0674 151 V 3.4475 7.6442 118.0917 65.8911 31.7112 177.8873 152 R 3.6984 7.7758 118.4276 59.3561 29.8708 178.6501 153 R 2.8691 8.0730 118.0030 58.9151 30.0078 178.8057 154 E 3.6944 8.3496 118.5345 59.5673 29.2723 179.2268 155 N 4.3797 8.1443 115.3059 55.7134 38.6693 176.4899 156 Q 4.5151 7.6268 116.2136 55.6976 30.3191 176.9437 157 W 4.8074 8.0205 118.6093 57.4875 30.3275 176.3148 158 A 4.2271 7.7107 118.8421 52.9802 19.7276 177.4831 159 F 4.9174 8.7546 121.3056 57.2004 38.8366 175.8664 160 E 4.7298 8.8944 124.8102 55.5234 29.9986 176.4185 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 5 K 8.31 4.62 0.00 1.67 1.96 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 8.97 4.49 1.89 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 1.12 1.42 0.93 0.00 0.00 7 V 9.02 4.91 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 1.39 0.00 0.00 0.96 0.00 0.00 8 L 8.62 4.96 0.00 1.66 1.59 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.78 4.35 0.00 1.78 1.83 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.43 7.81 10 S 8.43 4.65 0.00 4.03 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 11 S 8.75 4.18 0.00 3.95 3.94 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 12 D 7.32 4.91 0.00 2.76 2.69 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 13 G 8.26 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.83 4.74 0.00 2.04 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 0.00 2.35 2.53 0.00 15 S 8.53 4.59 0.00 3.74 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 16 F 8.65 4.57 0.00 3.18 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 17 E 8.96 4.40 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 18 V 8.52 4.67 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 0.77 0.00 0.00 1.00 0.00 0.00 19 E 8.64 4.39 0.00 1.93 1.91 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 0.00 2.30 2.35 0.00 20 E 8.20 3.98 0.00 2.07 1.85 0.00 0.00 0.00 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 2.43 0.00 21 A 7.56 4.31 1.28 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 0.00 0.00 22 V 7.57 3.74 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 1.05 0.00 0.00 0.90 0.00 0.00 23 A 7.54 4.29 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 24 L 7.64 4.40 0.00 1.71 1.69 0.91 0.95 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 25 E 7.70 4.05 0.00 2.11 2.04 0.00 0.00 0.00 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 2.37 0.00 26 S 7.45 4.47 0.00 3.86 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 27 Q 8.60 4.26 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.38 6.52 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 28 T 7.78 4.20 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 1.01 0.00 0.00 29 I 7.93 4.06 2.05 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 1.18 1.38 0.90 0.00 0.00 30 A 8.04 3.92 1.28 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 0.00 0.00 31 H 7.70 4.49 0.00 3.39 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.93 4.85 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 33 V 7.55 4.20 2.07 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 0.79 0.00 0.00 0.98 0.00 0.00 34 E 7.47 4.15 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 35 D 7.71 4.59 0.00 2.77 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 36 D 7.86 4.62 0.00 2.78 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 37 C 8.46 4.50 0.00 3.01 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.62 3.76 2.09 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 1.00 0.00 0.00 0.93 0.00 0.00 39 D 7.49 4.36 0.00 2.71 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 40 N 8.10 4.68 0.00 2.72 2.84 0.00 0.00 6.91 7.65 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 41 G 7.76 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.15 3.78 2.09 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 0.81 0.00 0.00 0.93 0.00 0.00 43 P 0.00 4.94 0.00 2.00 2.06 0.00 3.64 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 44 L 8.60 4.85 0.00 2.05 1.88 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.46 0.00 2.08 2.13 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 46 N 8.05 4.70 0.00 1.56 2.02 0.00 0.00 6.58 7.70 0.00 0.00 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 V 7.42 4.19 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 1.04 0.00 0.00 1.12 0.00 0.00 48 T 8.38 4.17 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 49 S 8.71 4.27 0.00 4.50 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 50 K 8.09 4.04 0.00 1.90 1.81 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.56 7.81 51 I 7.61 3.77 2.00 0.00 0.00 0.85 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 0.84 0.92 0.00 0.00 52 L 7.98 3.84 0.00 1.64 1.62 0.68 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.81 4.02 1.61 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 0.00 0.00 54 K 7.80 4.25 0.00 2.04 2.09 0.00 1.63 0.00 0.00 1.42 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.68 1.55 7.81 55 V 7.94 3.77 2.28 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 1.11 0.00 0.00 1.06 0.00 0.00 56 I 7.69 3.79 1.94 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.62 0.97 0.00 0.00 57 E 8.23 4.15 0.00 2.17 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 2.64 2.53 0.00 58 Y 7.68 3.99 0.00 2.82 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 59 C 8.14 3.85 0.00 3.04 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 60 K 8.32 3.74 0.00 1.96 1.91 0.00 1.53 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.43 7.81 61 R 7.12 3.64 0.00 1.09 1.60 0.00 2.85 0.00 0.00 2.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 62 H 7.84 4.06 0.00 2.89 3.14 0.00 5.89 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 63 V 7.93 3.55 2.17 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 0.98 0.00 0.00 0.96 0.00 0.00 64 E 7.60 4.36 0.00 2.03 1.83 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 2.25 2.27 0.00 65 A 7.34 4.43 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 66 A 7.43 4.09 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 67 A 7.44 4.32 1.16 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 0.00 0.00 *80 D 8.63 4.62 0.00 2.75 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 4.48 0.00 2.76 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 82 D 7.95 4.72 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.67 4.09 0.00 1.70 1.75 0.79 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.64 4.31 0.00 2.02 1.92 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.66 7.81 85 A 7.42 4.05 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 86 W 8.22 4.25 0.00 3.47 3.08 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 0.00 0.00 0.00 0.00 87 D 9.02 4.38 0.00 3.07 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.59 3.99 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 89 D 8.07 4.33 0.00 2.91 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.03 3.90 0.00 1.83 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 M 7.37 3.97 0.00 1.91 2.14 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.75 0.00 92 K 7.27 4.20 0.00 1.74 1.71 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.45 7.81 93 I 6.86 4.55 1.69 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.65 0.00 0.00 94 D 8.04 4.54 0.00 2.77 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 95 Q 8.25 3.34 0.00 1.84 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 96 A 7.80 3.90 1.28 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 0.00 0.00 97 T 7.54 3.80 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 1.08 0.00 0.00 98 L 7.50 3.79 0.00 1.53 1.43 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 99 F 7.96 4.58 0.00 3.07 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 0.00 100 E 8.03 4.11 0.00 2.07 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 2.51 2.52 0.00 101 L 7.70 4.05 0.00 1.84 1.68 0.75 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.50 3.70 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.85 0.92 0.00 0.00 103 L 8.04 4.01 0.00 1.86 1.73 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.72 4.14 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.78 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.04 4.58 0.00 2.82 2.89 0.00 0.00 7.15 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.63 4.41 0.00 2.98 3.17 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 0.00 0.00 0.00 0.00 108 L 8.35 4.34 0.00 1.65 1.44 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.31 4.96 0.00 2.59 2.74 0.00 0.00 6.76 7.94 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 0.00 110 I 7.79 4.27 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.51 1.07 0.00 0.00 111 K 8.36 3.97 0.00 1.81 1.83 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.46 7.81 112 N 8.18 4.56 0.00 3.01 3.12 0.00 0.00 5.92 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.21 3.75 0.00 1.87 1.88 0.22 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.31 4.49 0.00 2.06 1.64 0.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 115 D 7.58 4.55 0.00 2.77 2.76 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 0.00 116 L 7.59 4.50 0.00 1.80 1.58 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.35 3.87 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 118 C 8.14 4.27 0.00 3.14 3.03 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 0.00 0.00 0.00 119 Q 8.07 4.19 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 120 T 7.72 4.08 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 121 V 7.69 3.74 2.29 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 1.32 0.00 0.00 1.26 0.00 0.00 122 A 8.57 4.10 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.92 4.45 0.00 2.86 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 0.00 124 M 7.86 4.16 0.00 2.05 2.48 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.52 0.00 125 I 7.31 4.38 1.92 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 1.82 1.02 0.95 0.00 0.00 126 K 7.67 4.22 0.00 1.77 1.85 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.62 7.81 127 G 8.61 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.26 4.46 0.00 1.80 1.79 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.47 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.60 7.81 129 T 8.18 4.43 4.25 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 0.00 0.00 1.28 0.00 0.00 130 P 0.00 4.29 0.00 2.21 2.21 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 131 E 8.08 3.98 0.00 2.10 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 2.39 2.47 0.00 132 E 7.95 4.02 0.00 2.22 2.04 0.00 0.00 0.00 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 2.39 0.00 133 I 7.72 4.10 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.78 1.03 0.00 0.00 134 R 8.14 4.17 0.00 2.21 2.17 0.00 2.91 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 135 T 8.14 3.99 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 136 T 7.86 4.50 4.09 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 1.24 0.00 0.00 137 F 8.51 4.63 0.00 3.23 3.02 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 0.00 138 N 8.18 4.18 0.00 2.83 2.85 0.00 0.00 6.82 7.94 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 0.00 139 I 8.49 4.45 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.87 0.84 0.00 0.00 140 K 8.61 4.06 0.00 1.83 1.83 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.37 7.81 141 N 8.80 4.21 0.00 2.70 2.79 0.00 0.00 7.02 8.47 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 0.00 142 D 8.14 4.86 0.00 2.70 2.58 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 0.00 143 F 8.10 4.87 0.00 3.25 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 0.00 144 T 8.43 4.05 4.27 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 1.25 0.00 0.00 145 P 0.00 4.34 0.00 2.17 2.14 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 146 E 8.09 3.90 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 2.39 2.45 0.00 147 E 7.71 3.83 0.00 2.26 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 2.36 2.35 0.00 148 E 7.93 3.27 0.00 1.94 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 2.20 2.14 0.00 149 E 7.96 3.72 0.00 2.23 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 2.14 2.21 0.00 150 E 8.27 3.76 0.00 2.13 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 151 V 7.64 3.45 1.73 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 0.92 0.00 0.00 0.70 0.00 0.00 152 R 7.78 3.70 0.00 1.86 1.81 0.00 3.02 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 153 R 8.07 2.87 0.00 1.80 1.58 0.00 2.64 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.50 0.00 154 E 8.35 3.69 0.00 2.06 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 2.29 2.39 0.00 155 N 8.14 4.38 0.00 2.80 2.85 0.00 0.00 6.97 7.97 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 0.00 156 Q 7.63 4.52 0.00 1.92 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 157 W 8.02 4.81 0.00 3.39 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 0.00 158 A 7.71 4.23 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 F 8.75 4.92 0.00 3.09 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 0.00 160 E 8.89 4.73 0.00 2.08 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 0.00 2.12 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.