NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 L 4.2411 8.1849 122.4880 54.5643 43.9088 176.6382 15 L 4.3076 7.7154 117.0082 52.7441 42.9169 174.4254 16 Q 4.4302 9.3027 123.9065 54.5982 30.2430 175.2191 17 L 4.3500 8.4104 123.2072 55.3276 42.4875 175.7864 18 D 4.7832 7.4497 116.1522 50.8336 42.7083 175.3506 19 N 4.1802 8.3036 114.7026 54.2330 38.5098 177.2729 20 Q 4.0173 7.6365 119.9140 59.0363 28.8004 178.6411 21 L 3.9813 7.7118 120.6943 58.2323 42.2791 178.6469 22 C 4.1881 7.7926 116.3643 62.7019 28.1310 175.9128 23 F 4.6177 8.0798 119.3063 60.6259 38.4276 177.6162 24 A 4.1206 8.3894 120.5785 54.9564 18.1364 179.4456 25 L 3.9079 8.1849 118.9996 58.4134 42.1522 178.6248 26 Y 3.9971 8.0808 119.3234 60.7747 38.7221 177.8601 27 S 3.9674 8.3463 113.8511 61.3061 62.4812 176.0103 28 A 3.9322 8.2883 123.7633 55.2233 18.2309 179.1955 29 N 4.2489 8.1148 115.6310 56.5347 38.9717 176.9462 30 L 3.6602 7.7652 121.8447 57.8314 42.0909 178.8230 31 A 3.9879 8.1790 121.0530 55.2166 18.2591 179.5672 32 M 4.1108 8.0570 117.4473 58.7988 32.1408 178.6858 33 H 3.8718 7.9684 116.1524 58.7624 28.6542 177.9846 34 K 3.9858 7.9179 119.0203 59.3939 31.9254 178.7736 35 L 4.0471 7.9952 119.6938 57.7776 41.9953 177.7174 36 Y 4.2807 7.9033 113.7997 57.7326 38.2826 177.2883 37 R 4.0683 7.9671 121.4792 59.4665 30.2681 178.5018 38 G 3.5455 7.9903 104.7605 47.7820 0.0000 175.2364 39 L 3.9772 7.7994 122.9168 57.6909 42.2091 178.7408 40 L 3.9151 8.2447 119.2873 57.7000 41.0473 179.4102 41 K 3.9360 8.1220 119.3160 59.5395 31.9035 178.7620 42 A 4.0589 7.6433 119.6304 54.8380 18.4345 178.9477 43 L 4.1899 8.1561 115.4968 54.5360 42.4145 176.1483 44 D 4.4357 7.7276 116.5666 55.5303 39.8235 172.8762 45 L 5.0451 7.9753 115.8019 52.4692 45.8018 177.2699 46 T 4.5095 8.2947 111.3423 60.4681 71.8015 175.2787 47 Y 4.0652 8.5693 121.6562 60.7604 38.8052 176.5387 48 P 4.1956 0.0000 0.0000 65.7423 31.4585 178.5527 49 Q 3.9271 7.7548 115.5667 59.1302 28.5100 178.3519 50 Y 3.9087 7.8320 120.5281 60.4598 38.8752 177.9798 51 L 3.2811 7.3202 119.9091 57.4263 41.6236 179.6539 52 V 3.3474 7.2895 117.6764 66.1712 31.3617 178.0159 53 M 3.3083 7.3922 118.3466 57.8796 31.3900 178.6831 54 L 3.6721 7.0374 119.2835 57.5703 41.7035 179.7359 55 V 3.5937 7.1675 117.5905 66.0546 31.2356 178.1718 56 L 4.3003 7.2217 118.8206 56.8956 41.4901 179.2344 57 W 4.5734 8.0380 118.7151 59.0898 28.9792 177.8051 58 E 4.5533 7.7831 117.3707 57.6252 29.7008 176.8685 59 T 4.2941 7.8330 110.9911 60.1733 70.3021 172.9880 60 D 4.4395 8.5562 126.1944 53.6892 42.6832 175.4233 61 E 4.3794 8.2668 118.2350 56.2805 26.6140 174.5248 62 R 4.7656 7.1706 118.2091 54.1608 33.3943 176.7936 63 S 5.3722 8.8439 117.7989 57.5815 65.3204 175.7118 64 V 3.5620 8.2343 121.8093 66.0570 31.1747 178.2976 65 S 4.0372 7.9291 112.5371 61.3675 62.3766 175.7558 66 E 3.9173 8.2448 121.2881 59.4301 29.2117 179.3964 67 I 3.6839 7.7448 119.9112 64.3859 37.1955 178.6931 68 G 3.6102 8.1361 106.4664 47.8806 0.0000 175.5745 69 E 3.9276 8.2753 120.9052 59.1046 29.2166 179.4349 70 R 3.7041 7.6783 117.9440 58.7219 30.2693 177.6912 71 L 4.1676 7.5735 115.6754 53.7194 42.3107 175.9176 72 Y 3.7189 6.9547 114.3533 59.2877 35.8868 169.7411 73 L 4.8630 7.8559 117.9208 52.7638 45.0759 176.7079 74 D 4.6976 8.3188 121.1855 52.3556 40.9366 177.0355 75 S 4.0557 8.7860 113.9263 61.9193 61.8491 176.4164 76 A 3.9865 7.3732 122.5907 55.1671 17.7049 179.3041 77 T 4.1075 8.0611 114.4062 66.2073 68.6254 177.1280 78 L 3.9646 7.7771 121.8784 58.2520 42.2040 178.5346 79 T 3.8616 8.1080 116.1951 66.6425 68.5753 174.5839 80 P 4.2497 0.0000 0.0000 65.4297 31.3611 178.7776 81 L 4.0057 7.3889 114.7113 57.7500 41.5502 179.5178 82 L 3.9632 8.1677 119.2620 57.5892 41.5384 179.4401 83 K 3.9400 8.2689 119.7584 59.5638 32.0326 179.1306 84 R 3.9931 7.8280 117.9789 59.0401 29.9905 178.9622 85 L 4.0365 8.0078 118.9710 57.6902 41.4790 179.5416 86 Q 4.2282 8.5233 119.3611 58.3868 28.4468 178.5513 87 A 3.9702 7.8666 120.4938 54.5857 18.4785 178.6392 88 A 4.3195 7.6320 116.8235 51.8693 18.9428 177.7602 89 G 3.8524 7.9657 105.3428 46.4342 0.0000 174.7674 90 L 4.5573 8.0115 121.4499 55.3359 43.3443 176.8369 91 V 5.1126 7.5857 110.4715 59.8621 36.7607 174.1721 92 T 4.7301 8.9991 111.7574 59.9230 72.1970 172.7146 93 R 4.9960 8.5615 123.3661 55.0164 32.2678 175.0445 94 T 4.6154 9.0570 125.3690 62.5074 72.7316 173.9142 95 R 4.4684 8.6373 127.5060 56.4719 29.7536 173.4807 *103 V 4.0928 8.4908 117.7863 59.7380 34.5469 175.0429 104 I 4.7660 7.9003 122.8840 59.6645 39.2710 174.5677 105 I 4.8751 9.0309 128.2045 59.6520 39.2360 174.7050 106 A 5.1202 8.6312 127.7393 49.7541 22.5860 175.3997 107 L 4.5923 8.8607 121.2426 55.1573 42.8020 177.4032 108 T 4.3562 8.5919 113.1484 60.6286 71.0559 175.5229 109 E 4.0167 8.8091 120.1473 59.9989 29.2942 179.7664 110 T 4.1120 7.9693 115.4814 66.3737 68.3640 176.9918 111 G 3.7368 7.8835 107.1851 47.8106 0.0000 175.7770 112 R 4.2584 8.3176 120.2279 59.0744 29.9814 178.9859 113 A 4.0234 8.2295 120.5815 54.7772 18.2489 179.3272 114 L 3.9762 8.1414 119.2532 58.2163 42.0798 178.8996 115 R 2.5100 7.4783 118.4704 59.0094 29.5220 178.4594 116 S 4.1292 7.4208 112.0588 60.4970 63.0490 175.7080 117 K 4.2584 7.9455 120.7392 57.1620 32.0917 177.0188 118 A 4.5581 7.2967 121.3573 51.8851 19.1668 175.7055 119 G 3.7240 8.0604 103.7448 45.3525 0.0000 174.3400 120 A 4.0314 8.4480 120.6878 54.7648 19.1429 178.6141 121 V 4.4477 7.2865 113.5928 59.6155 31.4334 173.5890 122 P 4.4672 0.0000 0.0000 66.1098 31.2886 178.0983 123 E 4.1451 8.2624 115.0267 58.2227 29.8296 177.8357 124 Q 4.4585 7.9965 117.7384 56.5776 29.8645 176.9635 125 V 4.3268 7.6334 111.2689 61.0080 32.2721 176.7754 126 F 4.5198 7.9164 121.8750 61.5870 39.4736 176.3981 127 C 3.9141 8.1207 117.0027 61.7713 31.5618 175.4037 128 A 4.0642 8.0200 122.6413 54.9602 17.8287 179.3929 129 S 4.2362 8.3465 111.6962 60.4287 63.2256 174.9768 130 A 4.6754 7.4384 123.8099 51.5971 19.3785 178.0958 131 S 4.1369 7.8850 113.4301 61.6304 62.9512 175.5851 132 S 4.5325 7.8673 114.0511 58.1103 63.1928 174.5623 133 L 4.0131 7.6996 122.7373 55.1751 42.4979 177.7097 134 D 4.3947 8.8041 123.7715 57.6166 40.8627 178.7831 135 E 4.4919 8.0715 119.8967 58.8424 29.4985 179.0108 136 L 4.0284 7.7824 120.2641 57.9197 42.2091 178.9986 137 R 3.9762 8.0317 116.2301 59.2968 29.3369 178.9495 138 Q 3.9860 8.2011 118.8902 58.4737 28.7176 178.3705 139 L 3.9391 7.8598 121.4955 58.1163 42.2577 178.9583 140 K 3.9525 8.1837 119.5925 59.3724 31.9539 178.5664 141 Q 4.4901 8.1127 121.3681 58.8213 29.0628 177.9640 142 E 3.9445 8.3860 119.7988 59.3996 29.4724 179.1727 143 L 3.9761 7.9112 120.1928 58.1408 42.2251 178.8972 144 E 3.9727 8.1648 118.4924 59.3854 29.4170 179.4843 145 K 4.0247 8.3749 118.8011 59.3801 31.8396 179.4396 146 L 3.9944 7.7810 118.5498 57.6138 41.5901 179.2306 147 R 3.9996 7.6616 117.7225 59.3828 30.1488 177.9812 148 S 4.2366 8.2485 112.2712 61.2170 62.4629 174.5735 149 S 4.4965 7.9561 119.6113 58.5540 63.2454 173.5957 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 14 L 8.18 4.24 0.00 1.59 1.75 0.91 0.65 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 15 L 7.72 4.31 0.00 1.73 1.56 0.91 0.57 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 16 Q 9.30 4.43 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 17 L 8.41 4.35 0.00 1.60 1.69 0.91 1.02 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 18 D 7.45 4.78 0.00 2.67 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.30 4.18 0.00 2.18 1.42 0.00 0.00 6.80 7.72 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 20 Q 7.64 4.02 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 21 L 7.71 3.98 0.00 1.72 1.60 0.92 0.97 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 22 C 7.79 4.19 0.00 2.90 2.91 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 0.00 0.00 0.00 23 F 8.08 4.62 0.00 3.22 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 24 A 8.39 4.12 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 25 L 8.18 3.91 0.00 1.89 2.00 0.95 0.78 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 26 Y 8.08 4.00 0.00 3.24 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 27 S 8.35 3.97 0.00 4.04 4.04 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 0.00 0.00 0.00 28 A 8.29 3.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.11 4.25 0.00 2.90 2.66 0.00 0.00 6.88 6.71 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 30 L 7.77 3.66 0.00 1.19 1.50 0.76 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.18 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.06 4.11 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.88 0.00 33 H 7.97 3.87 0.00 3.26 3.25 0.00 5.82 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 34 K 7.92 3.99 0.00 1.92 1.87 0.00 1.57 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.48 7.81 35 L 8.00 4.05 0.00 1.76 2.04 0.82 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 7.90 4.28 0.00 3.35 3.06 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 37 R 7.97 4.07 0.00 2.12 1.95 0.00 3.11 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 38 G 7.99 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.80 3.98 0.00 1.73 1.80 0.96 0.73 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 40 L 8.24 3.92 0.00 1.75 2.00 1.16 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.12 3.94 0.00 1.92 2.02 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 42 A 7.64 4.06 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 43 L 8.16 4.19 0.00 1.68 1.85 1.11 1.46 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 44 D 7.73 4.44 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.98 5.05 0.00 1.68 1.54 1.04 0.72 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 46 T 8.29 4.51 4.32 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 1.25 0.00 0.00 47 Y 8.57 4.07 0.00 3.02 3.04 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 0.00 0.00 0.00 48 P 0.00 4.20 0.00 2.22 2.12 0.00 3.77 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 49 Q 7.75 3.93 0.00 2.41 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 50 Y 7.83 3.91 0.00 2.79 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 51 L 7.32 3.28 0.00 1.64 1.40 0.84 0.13 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 52 V 7.29 3.35 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 0.84 0.00 0.00 0.84 0.00 0.00 53 M 7.39 3.31 0.00 0.51 1.23 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.56 0.00 54 L 7.04 3.67 0.00 1.32 1.36 -0.54 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.17 3.59 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 0.90 0.00 0.00 0.80 0.00 0.00 56 L 7.22 4.30 0.00 1.34 1.58 0.75 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 57 W 8.04 4.57 0.00 3.41 3.05 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 58 E 7.78 4.55 0.00 2.08 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 0.00 2.48 2.25 0.00 59 T 7.83 4.29 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 1.20 0.00 0.00 60 D 8.56 4.44 0.00 2.66 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 61 E 8.27 4.38 0.00 2.10 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 2.22 2.26 0.00 62 R 7.17 4.77 0.00 1.75 1.75 0.00 3.31 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.44 0.00 63 S 8.84 5.37 0.00 4.00 3.96 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 64 V 8.23 3.56 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 0.99 0.00 0.00 0.90 0.00 0.00 65 S 7.93 4.04 0.00 3.91 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.24 3.92 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 2.30 2.32 0.00 67 I 7.74 3.68 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.97 0.79 0.00 0.00 68 G 8.14 3.61 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 0.00 69 E 8.28 3.93 0.00 2.09 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 2.30 2.55 0.00 70 R 7.68 3.70 0.00 1.77 1.94 0.00 3.14 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 71 L 7.57 4.17 0.00 1.56 1.62 0.78 0.52 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 72 Y 6.95 3.72 0.00 3.24 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 73 L 7.86 4.86 0.00 1.58 1.54 0.92 0.92 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 74 D 8.32 4.70 0.00 2.91 2.80 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 0.00 0.00 0.00 0.00 75 S 8.79 4.06 0.00 3.89 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 76 A 7.37 3.99 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 77 T 8.06 4.11 4.36 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 1.23 0.00 0.00 78 L 7.78 3.96 0.00 1.89 1.62 0.86 0.78 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 79 T 8.11 3.86 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 1.20 0.00 0.00 80 P 0.00 4.25 0.00 2.15 2.10 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 81 L 7.39 4.01 0.00 1.87 1.66 0.89 0.57 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 82 L 8.17 3.96 0.00 1.79 1.67 0.88 1.01 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 83 K 8.27 3.94 0.00 1.91 1.96 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 84 R 7.83 3.99 0.00 2.07 1.95 0.00 3.18 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 85 L 8.01 4.04 0.00 1.78 1.65 0.79 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 8.52 4.23 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.54 2.37 0.00 87 A 7.87 3.97 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 88 A 7.63 4.32 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.97 3.85 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 0.00 0.00 0.00 90 L 8.01 4.56 0.00 1.72 1.70 0.94 0.79 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 91 V 7.59 5.11 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 0.87 0.00 0.00 0.88 0.00 0.00 92 T 9.00 4.73 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 1.21 0.00 0.00 93 R 8.56 5.00 0.00 1.78 1.82 0.00 3.16 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 94 T 9.06 4.62 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 1.20 0.00 0.00 95 R 8.64 4.47 0.00 1.60 1.74 0.00 3.30 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.00 *103 V 8.49 4.09 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 0.66 0.00 0.00 0.92 0.00 0.00 104 I 7.90 4.77 1.98 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 1.21 0.65 0.89 0.00 0.00 105 I 9.03 4.88 1.81 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 1.12 1.08 0.84 0.00 0.00 106 A 8.63 5.12 1.18 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 0.00 0.00 107 L 8.86 4.59 0.00 1.60 1.68 1.17 0.59 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 0.00 108 T 8.59 4.36 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 1.24 0.00 0.00 109 E 8.81 4.02 0.00 2.05 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 2.41 2.42 0.00 110 T 7.97 4.11 4.43 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 1.25 0.00 0.00 111 G 7.88 3.74 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 0.00 0.00 0.00 112 R 8.32 4.26 0.00 2.09 2.02 0.00 3.15 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 113 A 8.23 4.02 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 0.00 114 L 8.14 3.98 0.00 2.13 2.26 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.48 2.51 0.00 0.67 1.47 0.00 2.38 0.00 0.00 2.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 116 S 7.42 4.13 0.00 3.94 3.89 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 0.00 0.00 0.00 117 K 7.95 4.26 0.00 1.90 1.92 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.45 7.81 118 A 7.30 4.56 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 0.00 119 G 8.06 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 0.00 120 A 8.45 4.03 1.27 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 0.00 0.00 121 V 7.29 4.45 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 1.10 0.00 0.00 0.92 0.00 0.00 122 P 0.00 4.47 0.00 2.56 2.64 0.00 3.58 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 1.88 1.71 0.00 123 E 8.26 4.15 0.00 2.29 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 0.00 2.33 2.42 0.00 124 Q 8.00 4.46 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 125 V 7.63 4.33 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 0.91 0.00 0.00 1.17 0.00 0.00 126 F 7.92 4.52 0.00 3.15 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 0.00 127 C 8.12 3.91 0.00 3.07 2.91 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 0.00 0.00 0.00 128 A 8.02 4.06 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 0.00 129 S 8.35 4.24 0.00 4.06 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 0.00 130 A 7.44 4.68 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 S 7.89 4.14 0.00 4.01 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 0.00 132 S 7.87 4.53 0.00 3.87 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 0.00 133 L 7.70 4.01 0.00 1.84 1.61 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.80 4.39 0.00 2.68 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 0.00 135 E 8.07 4.49 0.00 2.04 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 2.53 2.29 0.00 136 L 7.78 4.03 0.00 1.75 1.81 0.93 0.96 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 0.00 137 R 8.03 3.98 0.00 2.11 2.18 0.00 2.83 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.67 0.00 138 Q 8.20 3.99 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 139 L 7.86 3.94 0.00 1.89 1.87 0.94 0.36 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 0.00 140 K 8.18 3.95 0.00 1.92 1.96 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.50 7.81 141 Q 8.11 4.49 0.00 2.47 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 142 E 8.39 3.94 0.00 2.17 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 2.60 2.49 0.00 143 L 7.91 3.98 0.00 1.78 1.82 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.16 3.97 0.00 2.27 1.98 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 2.33 2.64 0.00 145 K 8.37 4.02 0.00 1.95 1.86 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.70 7.81 146 L 7.78 3.99 0.00 1.81 1.72 0.90 0.69 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 0.00 147 R 7.66 4.00 0.00 1.80 2.13 0.00 3.32 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 148 S 8.25 4.24 0.00 3.92 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 0.00 149 S 7.96 4.50 0.00 4.06 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.