NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 3.9111 8.3549 109.7305 45.5549 0.0000 175.0952 17 I 3.7791 8.6333 122.5305 63.0718 38.1290 175.2688 18 T 3.8892 7.9101 116.6809 63.4576 69.8448 173.8806 19 G 3.6229 7.9220 112.9356 44.4589 0.0000 171.2481 20 T 4.5963 7.5353 116.8244 61.7489 69.9875 174.7018 21 W 4.6743 8.1970 125.4859 54.8328 33.0531 173.8273 22 Y 5.0965 8.9950 121.3728 56.3523 40.1560 175.0562 23 E 4.6082 9.5224 125.4650 55.0369 31.7261 177.0577 24 Q 4.0098 8.2064 122.8218 58.7504 28.8532 179.8407 25 L 4.6820 8.0879 115.8492 54.3198 42.8099 176.4148 26 G 3.8594 8.3816 112.6648 46.1969 0.0000 176.0595 27 S 4.5963 8.5189 117.0024 59.1595 64.2745 173.9509 28 T 5.1784 8.3975 117.8015 61.8225 72.7290 173.0398 29 F 5.1732 8.7110 119.6832 55.0674 41.8614 173.4077 30 I 4.8629 8.4402 121.9384 59.5869 39.4796 175.0480 31 V 4.8349 8.5000 126.0263 60.1303 35.1707 174.5088 32 T 4.7564 9.0366 119.7571 61.8071 71.0275 173.0947 33 A 4.7397 8.3663 129.5946 50.2432 19.4910 177.0977 34 G 3.9122 9.6908 110.9912 44.7865 0.0000 173.8179 35 A 4.0409 8.6366 124.1013 54.9505 18.2248 178.5327 36 D 4.4500 8.0867 113.2987 54.0215 40.0481 177.6740 37 G 3.4536 8.7110 109.7352 44.8906 0.0000 173.0236 38 A 4.8240 7.9474 121.5281 51.3585 20.4930 176.5203 39 L 5.2438 9.2238 121.1759 53.1316 44.7114 175.9022 40 T 4.8815 8.9680 113.7079 59.7898 72.6009 174.4152 41 G 3.7933 7.4168 108.9944 46.5654 0.0000 171.3413 42 T 5.1484 7.9467 115.6081 61.9801 73.0324 172.5921 43 Y 5.1204 9.5467 126.7056 55.8709 42.3108 174.2172 44 E 5.3974 8.8016 125.1385 54.6968 32.4042 176.7042 45 S 4.3790 9.5563 120.8848 61.4002 63.5846 175.7685 *50 A 4.2543 8.0716 121.5044 51.1731 20.2133 177.7443 51 E 3.5811 7.9618 115.7508 58.4193 29.9931 177.4397 52 S 4.9993 7.9848 113.2064 58.1917 63.3523 172.6063 53 R 5.2803 7.3853 119.4058 54.8925 31.5601 175.4829 54 Y 4.8602 9.5064 120.5588 55.8699 42.5188 174.9404 55 V 4.2646 8.6085 122.8340 62.8565 32.4351 175.0494 56 L 5.0410 8.9531 128.1589 54.4158 43.5024 175.2159 57 T 4.9128 8.5287 114.8134 61.1911 71.4581 173.1089 58 G 4.6589 8.7801 113.6513 46.3086 0.0000 171.8822 59 R 5.5905 8.5654 116.9940 55.0353 34.7360 174.2209 60 Y 5.2704 8.6387 118.7102 55.7200 41.5861 174.1929 61 D 4.3192 9.3665 121.0918 53.9470 40.8321 176.6257 62 S 4.3009 8.1527 120.5551 58.6422 64.0197 174.6205 63 A 4.6615 7.9911 123.4445 50.6429 18.9682 173.7016 64 P 4.7883 0.0000 0.0000 60.6500 33.0176 176.9652 65 A 4.2408 8.3289 121.7798 52.6325 18.8726 177.4888 66 T 4.5676 8.3984 108.8727 61.6011 69.1871 174.5625 67 D 4.7443 8.0765 120.2234 53.9114 39.4871 177.3501 68 G 3.9730 7.8859 107.7718 45.8642 0.0000 174.8574 69 S 4.2221 7.8871 115.8827 58.3655 63.2908 174.4547 70 G 4.0176 8.3877 111.0526 46.2521 0.0000 172.3619 71 T 4.8646 9.0184 116.6083 61.6732 70.4319 174.8572 72 A 4.8937 8.7377 128.7364 52.1027 20.2338 175.8059 73 L 4.9291 8.6271 119.5018 55.6643 44.6565 173.7323 74 G 4.6738 9.1576 105.7783 45.5455 0.0000 171.8558 75 W 5.8493 8.7464 117.1679 55.5825 32.3663 173.5069 76 T 5.2231 9.2523 116.3699 61.8184 72.3663 173.3612 77 V 4.5087 8.7676 124.7344 60.9239 34.2790 173.9192 78 A 4.3879 8.2872 129.9286 49.6881 19.9322 177.8286 79 W 4.2144 8.1479 126.2283 56.1881 28.4956 176.3308 80 K 5.2321 7.8466 118.1973 54.7091 35.1677 174.4042 81 N 4.9902 8.8996 121.5906 51.7672 40.1292 174.2158 82 N 4.3297 8.4919 113.7946 54.9464 38.7952 175.2872 83 Y 4.6416 7.6281 114.8728 58.3590 40.3068 176.0186 84 R 4.7810 8.7791 117.2199 54.6402 34.1457 174.2794 85 N 5.1207 8.5044 117.6578 53.3612 40.3620 173.9038 86 A 4.3235 9.0448 128.9283 51.7768 19.7567 176.2316 87 H 4.1934 8.6242 113.7516 56.0126 27.0608 173.6369 88 S 5.1336 7.5169 110.7237 57.8481 66.7095 174.0599 89 A 5.0988 9.7473 122.2540 50.8177 22.8473 175.2591 90 T 5.0264 8.7007 116.9937 61.7313 72.3444 173.2764 91 T 4.8938 8.3341 114.8982 59.6495 71.8656 172.5662 92 W 4.9174 9.0583 125.7610 54.7262 31.6036 174.7879 93 S 4.8625 8.7294 119.5757 56.3473 64.5465 173.0935 94 G 4.3689 8.5962 115.0233 46.1605 0.0000 171.5548 95 Q 4.9959 8.4438 118.7876 55.3242 32.6912 173.2964 96 Y 4.9410 9.0969 123.0895 56.6308 40.8553 174.2660 97 V 3.9180 8.3304 126.8175 60.9153 33.9901 175.5425 98 G 3.8144 7.7950 116.2390 44.7162 0.0000 169.7827 99 G 3.7904 8.9042 104.2222 43.8494 0.0000 174.5701 100 A 4.1443 8.5739 120.8533 54.3627 18.9932 178.2830 101 E 4.5854 7.1980 114.1639 55.2790 28.7706 176.2225 102 A 4.6870 7.6091 120.8415 52.2232 19.8049 178.5683 103 R 5.3013 9.0565 117.0165 55.1952 33.8329 174.0784 104 I 4.8666 8.9052 121.5550 59.8799 39.7983 174.2593 105 N 5.4194 9.2690 126.2046 52.2707 40.2931 174.7120 106 T 5.3178 9.3027 113.0724 60.1555 73.0969 172.5993 107 Q 5.1522 9.0123 121.1574 53.8461 32.3503 174.7779 108 W 5.2006 8.2795 118.9820 54.5178 32.2694 174.0008 109 L 5.2400 8.5003 120.0378 52.9388 44.6725 175.2642 110 L 5.0191 9.4015 126.8523 53.8115 43.9694 174.9633 111 T 5.0883 9.3080 123.7812 61.9501 71.2788 173.7385 112 S 5.0929 8.3958 121.6967 56.5037 65.5677 174.2340 113 G 3.9295 8.9647 110.9850 46.4834 0.0000 173.2384 114 T 4.7837 8.2475 113.5896 59.7164 72.4522 173.1936 115 T 4.1848 8.0609 111.9757 60.7344 69.6806 175.4941 116 E 3.9937 8.6723 120.4610 59.2204 29.5772 179.3775 117 A 4.2152 7.9974 120.2394 53.9766 19.1410 177.5788 118 N 4.9531 8.1280 112.2225 52.9942 39.3135 176.4746 119 A 4.1876 7.9890 123.5156 53.7603 18.6621 180.7686 120 W 4.3235 8.3863 112.7749 58.5674 28.3055 176.9745 121 K 3.9647 6.5839 116.8060 56.0944 32.2087 177.2198 122 S 4.2438 7.6486 115.5232 60.4160 63.5912 173.4214 123 T 5.1332 7.5552 117.3585 61.7781 71.1914 173.3881 124 L 4.8677 9.0220 126.6801 53.1698 44.5133 175.8815 125 V 4.4083 7.8477 119.8333 60.4379 34.5699 175.3643 126 G 3.0421 6.4963 107.5837 45.9506 0.0000 171.3062 127 H 5.3463 8.0075 113.9020 54.5382 31.7357 172.3640 128 D 5.2076 9.2169 118.0713 53.0236 45.2717 173.8405 129 T 5.2330 8.6987 120.1563 61.8541 71.9273 172.7777 130 F 5.5974 9.3106 124.7693 56.0550 42.4094 174.5673 131 T 5.5902 9.2192 111.7381 60.2038 72.4149 174.5918 132 K 3.7577 8.7901 119.5077 56.9217 32.5962 177.1398 133 V 4.3673 7.6073 117.2077 61.2246 34.7311 175.1276 134 K 3.8644 8.2450 121.7330 56.4916 31.6970 175.8489 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 16 G 8.35 3.91 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 0.00 0.00 0.00 17 I 8.63 3.78 1.43 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 -0.09 0.61 0.00 0.00 18 T 7.91 3.89 4.16 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 1.19 0.00 0.00 19 G 7.92 3.62 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 0.00 0.00 0.00 20 T 7.54 4.60 3.91 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 0.64 0.00 0.00 21 W 8.20 4.67 0.00 1.78 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 22 Y 8.99 5.10 0.00 2.98 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 23 E 9.52 4.61 0.00 1.16 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 2.34 2.67 0.00 24 Q 8.21 4.01 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 25 L 8.09 4.68 0.00 1.64 1.67 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.38 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.52 4.60 0.00 4.32 3.80 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 28 T 8.40 5.18 4.19 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 0.00 0.00 0.96 0.00 0.00 29 F 8.71 5.17 0.00 2.96 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 30 I 8.44 4.86 1.81 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.89 0.81 0.00 0.00 31 V 8.50 4.83 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 0.83 0.00 0.00 0.79 0.00 0.00 32 T 9.04 4.76 4.20 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 0.00 0.00 0.00 1.18 0.00 0.00 33 A 8.37 4.74 0.70 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 0.00 0.00 34 G 9.69 3.91 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 0.00 0.00 0.00 35 A 8.64 4.04 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 36 D 8.09 4.45 0.00 2.83 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 37 G 8.71 3.45 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 0.00 38 A 7.95 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 39 L 9.22 5.24 0.00 1.78 1.54 0.72 0.69 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 40 T 8.97 4.88 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 1.21 0.00 0.00 41 G 7.42 3.79 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 0.00 0.00 0.00 42 T 7.95 5.15 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 1.32 0.00 0.00 43 Y 9.55 5.12 0.00 2.85 2.81 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 44 E 8.80 5.40 0.00 1.92 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 2.27 2.35 0.00 45 S 9.56 4.38 0.00 4.02 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 0.00 *50 A 8.07 4.25 1.34 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 0.00 0.00 51 E 7.96 3.58 0.00 1.69 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 2.20 1.86 0.00 52 S 7.98 5.00 0.00 4.01 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 53 R 7.39 5.28 0.00 1.69 1.86 0.00 3.12 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 54 Y 9.51 4.86 0.00 2.82 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 55 V 8.61 4.26 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 0.78 0.00 0.00 0.93 0.00 0.00 56 L 8.95 5.04 0.00 1.77 1.62 0.46 -0.37 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 57 T 8.53 4.91 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 1.23 0.00 0.00 58 G 8.78 4.66 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 0.00 0.00 0.00 59 R 8.57 5.59 0.00 1.78 1.79 0.00 3.33 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 60 Y 8.64 5.27 0.00 3.11 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 61 D 9.37 4.32 0.00 2.77 2.68 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 0.00 0.00 0.00 62 S 8.15 4.30 0.00 3.86 3.41 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 63 A 7.99 4.66 1.22 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 64 P 0.00 4.79 0.00 2.28 2.18 0.00 3.44 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 65 A 8.33 4.24 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 66 T 8.40 4.57 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 1.24 0.00 0.00 67 D 8.08 4.74 0.00 2.80 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 68 G 7.89 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 69 S 7.89 4.22 0.00 3.99 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 70 G 8.39 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 0.00 0.00 0.00 71 T 9.02 4.86 4.59 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 1.48 0.00 0.00 72 A 8.74 4.89 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 73 L 8.63 4.93 0.00 2.05 1.96 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.16 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.75 5.85 0.00 3.35 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 76 T 9.25 5.22 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 1.23 0.00 0.00 77 V 8.77 4.51 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 -0.53 0.00 0.00 0.63 0.00 0.00 78 A 8.29 4.39 1.17 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 0.00 0.00 79 W 8.15 4.21 0.00 3.37 2.93 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 0.00 0.00 0.00 80 K 7.85 5.23 0.00 1.94 1.71 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.58 7.81 81 N 8.90 4.99 0.00 2.82 2.64 0.00 0.00 6.77 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.49 4.33 0.00 1.99 2.50 0.00 0.00 6.63 7.46 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 83 Y 7.63 4.64 0.00 3.15 2.97 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 84 R 8.78 4.78 0.00 2.03 1.91 0.00 3.25 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 85 N 8.50 5.12 0.00 2.66 2.61 0.00 0.00 6.94 7.96 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 86 A 9.04 4.32 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 87 H 8.62 4.19 0.00 3.33 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.52 5.13 0.00 4.02 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 89 A 9.75 5.10 1.13 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 0.00 0.00 90 T 8.70 5.03 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 -0.49 0.00 0.00 91 T 8.33 4.89 4.16 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 1.14 0.00 0.00 92 W 9.06 4.92 0.00 1.78 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 0.00 0.00 0.00 93 S 8.73 4.86 0.00 3.80 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.60 4.37 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 0.00 95 Q 8.44 5.00 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 96 Y 9.10 4.94 0.00 2.99 2.89 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 97 V 8.33 3.92 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 0.84 0.00 0.00 0.90 0.00 0.00 98 G 7.79 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 0.00 0.00 0.00 99 G 8.90 3.79 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 0.00 0.00 0.00 100 A 8.57 4.14 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 0.00 101 E 7.20 4.59 0.00 1.95 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 2.27 2.38 0.00 102 A 7.61 4.69 1.49 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 0.00 0.00 103 R 9.06 5.30 0.00 1.98 2.31 0.00 2.99 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 104 I 8.91 4.87 1.71 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.36 1.13 0.00 0.00 105 N 9.27 5.42 0.00 2.71 2.82 0.00 0.00 6.08 7.84 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 0.00 106 T 9.30 5.32 4.51 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 0.00 0.00 0.00 1.50 0.00 0.00 107 Q 9.01 5.15 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 108 W 8.28 5.20 0.00 2.68 2.26 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 0.00 109 L 8.50 5.24 0.00 1.54 1.54 0.87 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.40 5.02 0.00 1.77 1.70 0.94 0.29 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 0.00 111 T 9.31 5.09 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 1.19 0.00 0.00 112 S 8.40 5.09 0.00 3.72 3.75 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 0.00 113 G 8.96 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.25 4.78 4.18 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 1.23 0.00 0.00 115 T 8.06 4.18 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 1.21 0.00 0.00 116 E 8.67 3.99 0.00 2.04 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 0.00 2.41 2.27 0.00 117 A 8.00 4.22 1.34 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 0.00 0.00 118 N 8.13 4.95 0.00 2.67 2.62 0.00 0.00 6.72 7.54 0.00 0.00 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 A 7.99 4.19 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 0.00 120 W 8.39 4.32 0.00 3.52 3.23 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 0.00 121 K 6.58 3.96 0.00 1.09 0.74 0.00 1.28 0.00 0.00 1.30 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 0.87 7.81 122 S 7.65 4.24 0.00 4.09 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 0.00 123 T 7.56 5.13 4.21 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 1.27 0.00 0.00 124 L 9.02 4.87 0.00 1.76 1.70 0.94 0.55 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 0.00 125 V 7.85 4.41 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 0.55 0.00 0.00 0.67 0.00 0.00 126 G 6.50 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 0.00 0.00 0.00 127 H 8.01 5.35 0.00 3.19 3.13 0.00 5.71 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 0.00 128 D 9.22 5.21 0.00 3.28 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.70 5.23 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 1.40 0.00 0.00 130 F 9.31 5.60 0.00 3.13 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 0.00 131 T 9.22 5.59 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 1.40 0.00 0.00 132 K 8.79 3.76 0.00 1.53 1.56 0.00 1.38 0.00 0.00 1.21 0.00 0.00 2.13 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 0.39 7.81 133 V 7.61 4.37 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 0.73 0.00 0.00 0.88 0.00 0.00 134 K 8.24 3.86 0.00 1.73 1.86 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.22 1.22 7.81 * Residues marked with a * may have inaccurate shift predictions.