NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 T 4.3961 8.0333 112.9197 60.0875 70.3217 176.3015 9 S 4.1946 9.1383 118.9849 62.9125 62.2414 174.5856 10 Q 4.0744 8.3779 124.5675 61.0696 28.2638 181.6908 11 D 4.6194 8.1177 122.7631 58.2707 39.7922 180.3554 12 I 4.0578 7.3123 119.0770 64.1451 37.2921 178.2277 13 L 4.5062 8.5482 122.6926 58.4751 40.9556 180.2582 14 K 4.0313 8.1330 123.5982 60.0600 31.3902 180.7343 15 Q 4.2642 8.0944 118.2584 58.3771 29.0174 177.9248 16 H 4.9030 8.0233 113.6647 55.2707 29.6262 175.8458 17 A 4.2198 7.9401 123.6772 55.2754 18.2418 179.8316 18 A 3.9550 8.0542 118.8104 55.3666 18.4592 179.0842 19 H 3.9897 8.1761 116.2272 59.8694 30.0231 177.0610 20 Y 4.1318 7.8028 117.8982 60.9081 37.1411 178.2533 21 E 4.1115 8.5823 119.9019 59.3430 29.3556 179.3548 22 S 4.0915 7.8534 112.0006 61.4518 62.7239 175.2530 23 D 4.5417 8.1917 117.9390 55.7332 41.0214 176.6784 *25 G 3.7751 7.7452 106.5697 44.2854 0.0000 172.1994 26 G 4.2292 6.9657 105.7423 42.6594 0.0000 173.1082 27 L 4.1963 7.8222 122.4511 52.6472 42.6958 174.9834 28 P 4.3393 0.0000 0.0000 62.3950 33.2433 176.6956 29 E 3.8080 8.7696 120.7888 59.5873 29.4915 179.1265 30 A 3.9420 7.9535 120.0729 55.3514 18.3750 179.4205 31 L 4.0204 7.7562 116.7071 57.2867 41.8436 179.4073 32 V 3.2790 7.7465 118.6789 66.0573 31.4058 177.8815 33 Q 3.8757 8.1451 119.1721 59.0265 28.8297 177.7950 34 L 3.9761 8.0046 121.1514 58.1772 41.8856 178.7722 35 A 3.6258 7.6397 119.8800 54.8455 18.1940 178.9677 36 E 3.7400 7.6042 116.6367 59.4664 29.8424 178.1054 37 Y 4.6212 7.7351 113.6378 58.4719 39.8990 176.0572 38 A 4.8137 8.2848 123.3001 49.3847 19.6998 175.1604 39 P 4.4125 0.0000 0.0000 65.4992 31.9841 178.6606 40 E 4.0315 8.2324 117.9916 59.5099 29.3729 179.2227 41 T 3.9464 7.9397 115.4017 66.5738 68.5480 176.3017 42 F 4.2710 8.7148 123.0253 61.2598 39.3982 176.6771 43 D 4.1523 8.5565 117.5275 57.3016 40.9045 178.0928 44 A 3.9579 7.6806 119.6421 55.3358 18.4961 178.4883 45 Y 4.0814 7.9788 116.9479 61.1392 39.0642 178.4157 46 S 4.0132 8.0716 116.0666 61.1234 62.7486 177.0665 47 R 4.1090 7.5895 117.9007 56.8048 29.2883 178.4094 *49 R 3.9887 7.8952 120.8134 56.6243 31.7684 176.7860 50 T 3.5734 7.6424 113.5467 66.8540 68.6717 176.5390 51 T 3.9388 7.4788 113.7808 62.5388 66.4790 174.9897 *53 L 4.0756 7.9050 116.8679 53.3530 43.1592 176.7600 54 K 3.7420 7.5922 119.6680 57.0115 32.4816 176.7603 55 S 4.5096 8.4051 119.5420 57.4922 64.4402 174.8653 56 E 4.4381 9.0718 119.6970 59.0225 29.3642 179.6030 57 A 4.0892 8.0649 120.1091 54.9243 18.4966 177.5589 58 D 4.6688 7.7327 113.2888 54.4427 40.8020 177.2860 59 G 3.9846 8.4234 107.3811 45.0471 0.0000 174.3936 60 A 4.2179 8.3087 123.3508 51.9016 19.0422 179.1130 61 K 4.0839 8.5122 119.7384 57.8642 32.9708 177.3416 62 L 4.4324 7.6846 120.6557 52.9951 42.9262 174.8036 63 P 4.4519 0.0000 0.0000 62.8319 33.0496 176.8752 64 L 3.9794 8.6054 123.2519 58.2483 42.0076 179.3788 65 K 3.8490 7.9199 118.1533 60.4492 32.1686 178.4808 66 Y 4.4756 7.4971 117.0572 60.2583 38.0432 177.8322 67 K 3.9425 8.1614 119.7211 60.0951 32.2018 179.1017 68 H 4.2815 8.4374 116.2410 58.4731 28.5546 177.6401 69 L 4.0408 8.2251 122.4749 58.2506 41.8625 178.9776 70 I 3.7434 8.0847 119.8832 64.6038 37.0351 178.4368 71 L 3.9066 7.8674 119.3866 57.4512 41.2393 179.6773 72 V 3.5669 8.1217 118.7666 66.1020 31.5018 178.2891 73 V 3.5978 7.9075 117.8313 65.9770 31.2878 177.8822 74 L 3.9295 8.1413 118.8922 58.0433 41.0275 179.3399 75 D 4.2878 8.6002 118.9206 56.9300 40.5140 178.6598 76 A 3.9628 8.1651 121.7601 55.3065 18.2153 179.6929 77 I 3.4370 7.4721 116.7718 64.3964 37.2627 178.1925 78 R 3.9394 8.0365 116.8683 56.0442 31.3072 175.2719 79 D 4.5912 7.3565 116.3140 55.3099 38.3776 174.9578 80 E 4.4618 8.2224 120.7520 53.4500 29.9755 174.1445 81 P 4.2521 0.0000 0.0000 65.3007 31.4330 178.5933 82 I 3.7428 7.9116 119.4269 64.2546 37.1724 178.2148 83 G 3.7283 8.4749 107.3743 47.2354 0.0000 175.2190 84 I 3.6767 7.8321 120.9120 63.7872 37.8918 178.2706 85 V 3.1567 7.3336 119.0298 65.7632 31.3131 177.5968 86 N 4.0565 8.0193 116.3654 56.8689 38.4061 177.1340 87 H 4.2892 8.5157 117.6373 58.7124 28.5248 178.0858 88 T 3.8855 7.7895 117.1787 66.5614 68.4185 175.9993 89 R 3.7742 7.7772 119.1686 59.4680 30.2792 177.8475 90 A 4.1051 7.9368 119.8930 55.0965 18.2311 179.7250 91 A 3.7782 8.1628 115.3001 53.8107 17.9982 178.7660 *93 N 4.5767 8.0689 118.2201 54.2605 40.4539 175.2957 94 A 4.2950 7.7806 118.2411 52.0057 18.8116 177.6180 95 G 4.0538 8.2524 103.5347 45.1149 0.0000 174.3022 96 L 4.1791 7.9594 122.9501 54.7299 42.8516 177.3668 97 S 4.5511 8.8139 120.9973 57.6222 65.4969 175.6151 98 V 3.6528 8.2899 122.1724 66.3613 31.3101 177.8677 99 D 4.4265 8.1860 118.0505 57.6978 40.7375 178.6501 100 E 4.0726 8.3579 118.8637 59.1092 29.3798 179.0573 101 L 4.0469 8.1456 120.4249 58.3546 42.2183 179.1416 102 I 3.8785 8.0111 119.5759 64.6044 36.8804 178.1783 103 E 4.1227 8.1813 118.1278 59.4095 29.4407 179.5724 104 G 3.7766 8.3224 105.5532 47.9347 0.0000 175.7902 105 I 3.8323 8.0536 122.9291 64.1573 37.1785 178.3461 106 L 4.0892 8.1913 119.6724 58.0700 41.5310 179.6741 107 L 4.1844 8.0070 118.6728 57.4604 41.3837 179.5369 108 G 3.8833 8.2277 105.9083 47.9162 0.0000 175.7164 109 I 3.9655 7.9593 121.9793 64.2327 36.8151 178.3344 110 I 3.6747 7.4385 119.4626 64.3074 37.0786 177.3801 111 V 3.8568 7.7675 117.1028 64.1670 31.8717 175.7445 112 Y 4.6879 8.1405 114.2578 56.6633 41.0322 177.5004 113 G 3.7011 8.8032 113.8636 46.2545 0.0000 174.3423 *115 P 4.4058 0.0000 0.0000 62.1343 34.0400 178.4560 116 A 4.0647 8.1715 121.3935 54.4999 18.7987 179.2646 117 W 4.4116 8.4778 125.2187 59.7464 31.4677 178.6179 118 G 3.6176 8.2607 105.5515 48.4086 0.0000 174.5918 119 K 4.1368 7.6031 119.3839 58.0324 32.9708 177.8613 120 T 4.3496 7.5705 113.5186 64.6220 71.4178 176.7886 121 G 3.7611 8.4143 109.2800 47.1588 0.0000 175.6924 122 R 2.9358 7.6218 118.5054 58.1615 29.0896 179.0486 123 K 3.8978 7.8597 119.3997 59.1089 31.8802 178.9495 124 A 4.0233 7.7241 120.9298 55.0844 18.2355 179.9288 125 V 3.5944 7.4636 116.2410 66.3065 31.3222 178.0121 126 T 3.8741 7.9080 115.5644 66.7565 68.3192 176.0620 127 F 4.0139 8.4158 122.0405 61.3979 39.3230 176.9526 128 A 3.9505 8.2378 120.3677 55.1829 16.7959 179.6716 129 V 3.5273 7.9745 116.7563 66.2075 31.5386 178.1749 130 E 4.1662 7.6768 117.9587 59.2317 29.4298 178.9792 131 F 4.0819 8.1647 121.0646 60.8236 39.2395 176.7412 132 E 3.7365 8.3763 119.6681 59.2431 29.5141 179.0640 133 K 3.9463 7.4393 118.3828 59.0276 31.8356 179.0592 134 E 3.7861 7.6788 118.9477 59.2002 29.8828 178.2825 135 L 3.7530 7.8055 120.3642 58.0138 41.8163 178.7611 136 A 4.0678 7.6785 119.8660 54.7858 18.3908 179.0357 137 G 3.7662 7.6447 101.3030 45.5416 0.0000 174.2412 138 K 4.5169 7.6518 118.3518 55.9706 33.6464 176.2504 139 R 4.7068 7.4572 116.7736 54.0673 33.6755 175.4150 140 T 4.0386 8.4334 115.7845 64.0708 68.4006 174.4819 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 8 T 8.03 4.40 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 1.21 0.00 0.00 9 S 9.14 4.19 0.00 3.86 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 10 Q 8.38 4.07 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.00 0.00 11 D 8.12 4.62 0.00 2.68 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 12 I 7.31 4.06 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.02 1.36 0.00 0.00 13 L 8.55 4.51 0.00 1.92 1.76 0.81 0.77 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 14 K 8.13 4.03 0.00 1.78 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.36 7.81 15 Q 8.09 4.26 0.00 2.19 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 16 H 8.02 4.90 0.00 3.40 3.42 0.00 5.62 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 17 A 7.94 4.22 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.05 3.96 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 19 H 8.18 3.99 0.00 3.12 3.31 0.00 5.87 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 20 Y 7.80 4.13 0.00 3.16 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 21 E 8.58 4.11 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 2.61 2.51 0.00 22 S 7.85 4.09 0.00 3.94 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 23 D 8.19 4.54 0.00 2.53 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.75 3.78 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 0.00 0.00 0.00 26 G 6.97 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 0.00 0.00 0.00 27 L 7.82 4.20 0.00 1.46 1.47 0.04 0.68 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 28 P 0.00 4.34 0.00 2.15 1.91 0.00 3.51 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 29 E 8.77 3.81 0.00 2.07 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 2.38 1.96 0.00 30 A 7.95 3.94 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 31 L 7.76 4.02 0.00 1.75 1.80 1.07 0.89 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 32 V 7.75 3.28 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 0.86 0.00 0.00 0.84 0.00 0.00 33 Q 8.15 3.88 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.56 0.00 0.00 0.00 0.00 0.00 2.70 2.48 0.00 34 L 8.00 3.98 0.00 1.93 1.84 0.93 1.04 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 35 A 7.64 3.63 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 36 E 7.60 3.74 0.00 1.65 1.66 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 1.47 1.89 0.00 37 Y 7.74 4.62 0.00 3.02 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 38 A 8.28 4.81 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 39 P 0.00 4.41 0.00 2.34 2.48 0.00 3.75 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 2.11 2.07 0.00 40 E 8.23 4.03 0.00 2.09 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 2.44 2.44 0.00 41 T 7.94 3.95 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 1.26 0.00 0.00 42 F 8.71 4.27 0.00 3.12 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 43 D 8.56 4.15 0.00 3.03 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 44 A 7.68 3.96 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 45 Y 7.98 4.08 0.00 3.01 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 46 S 8.07 4.01 0.00 3.08 3.30 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 47 R 7.59 4.11 0.00 1.97 1.86 0.00 3.13 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 *49 R 7.90 3.99 0.00 1.34 1.74 0.00 3.40 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 50 T 7.64 3.57 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 1.05 0.00 0.00 51 T 7.48 3.94 4.17 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 1.12 0.00 0.00 *53 L 7.91 4.08 0.00 1.85 1.71 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.59 3.74 0.00 1.85 1.72 0.00 1.90 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.39 7.81 55 S 8.41 4.51 0.00 4.04 3.98 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 56 E 9.07 4.44 0.00 2.05 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 2.57 2.29 0.00 57 A 8.06 4.09 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 58 D 7.73 4.67 0.00 2.68 2.67 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 59 G 8.42 3.98 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 0.00 0.00 0.00 60 A 8.31 4.22 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 61 K 8.51 4.08 0.00 1.77 1.88 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.36 7.81 62 L 7.68 4.43 0.00 1.61 1.61 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.45 0.00 2.16 1.94 0.00 3.91 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.25 0.00 64 L 8.61 3.98 0.00 1.75 1.67 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.92 3.85 0.00 1.79 2.06 0.00 1.19 0.00 0.00 1.74 0.00 0.00 2.64 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.99 0.21 7.81 66 Y 7.50 4.48 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 3.94 0.00 1.97 1.80 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.48 1.70 7.81 68 H 8.44 4.28 0.00 3.22 3.59 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.23 4.04 0.00 2.01 2.02 1.02 1.10 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 70 I 8.08 3.74 2.05 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 1.55 0.62 0.92 0.00 0.00 71 L 7.87 3.91 0.00 1.68 1.31 0.80 0.61 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 72 V 8.12 3.57 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 1.12 0.00 0.00 1.02 0.00 0.00 73 V 7.91 3.60 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 1.02 0.00 0.00 1.05 0.00 0.00 74 L 8.14 3.93 0.00 1.84 1.67 0.91 1.23 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 75 D 8.60 4.29 0.00 2.83 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 76 A 8.17 3.96 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 77 I 7.47 3.44 1.70 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.47 -0.19 0.00 0.00 78 R 8.04 3.94 0.00 1.78 1.89 0.00 3.42 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 1.61 1.67 0.00 79 D 7.36 4.59 0.00 2.78 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 80 E 8.22 4.46 0.00 1.90 1.79 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 2.17 2.33 0.00 81 P 0.00 4.25 0.00 2.24 2.23 0.00 3.70 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 2.02 2.01 0.00 82 I 7.91 3.74 2.11 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.78 0.84 0.00 0.00 83 G 8.47 3.73 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 0.00 0.00 0.00 84 I 7.83 3.68 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 1.38 1.44 0.86 0.00 0.00 85 V 7.33 3.16 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 -0.08 0.00 0.00 0.73 0.00 0.00 86 N 8.02 4.06 0.00 2.74 2.70 0.00 0.00 7.08 8.16 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 87 H 8.52 4.29 0.00 3.24 3.55 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.79 3.89 4.39 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 1.54 0.00 0.00 89 R 7.78 3.77 0.00 1.49 1.92 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.72 0.00 90 A 7.94 4.11 1.10 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 0.00 0.00 0.00 91 A 8.16 3.78 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 *93 N 8.07 4.58 0.00 3.05 3.00 0.00 0.00 7.00 7.35 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 94 A 7.78 4.29 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 95 G 8.25 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 0.00 0.00 0.00 96 L 7.96 4.18 0.00 1.65 1.65 1.08 1.31 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 97 S 8.81 4.55 0.00 4.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.29 3.65 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 1.12 0.00 0.00 0.96 0.00 0.00 99 D 8.19 4.43 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 0.00 100 E 8.36 4.07 0.00 2.30 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 0.00 2.45 2.41 0.00 101 L 8.15 4.05 0.00 1.96 1.99 1.02 0.98 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 0.00 102 I 8.01 3.88 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.99 1.00 0.00 0.00 103 E 8.18 4.12 0.00 2.13 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 2.37 2.59 0.00 104 G 8.32 3.78 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 0.00 0.00 0.00 105 I 8.05 3.83 2.11 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 1.60 1.01 1.13 0.00 0.00 106 L 8.19 4.09 0.00 1.86 1.71 0.85 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.01 4.18 0.00 1.84 1.76 0.94 1.22 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 0.00 108 G 8.23 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 0.00 109 I 7.96 3.97 2.01 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 1.76 0.96 0.93 0.00 0.00 110 I 7.44 3.67 2.06 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 1.18 0.48 0.91 0.00 0.00 111 V 7.77 3.86 2.21 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 0.59 0.00 0.00 0.95 0.00 0.00 112 Y 8.14 4.69 0.00 3.14 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 0.00 113 G 8.80 3.70 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 0.00 *115 P 0.00 4.41 0.00 2.28 2.20 0.00 3.87 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 116 A 8.17 4.06 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 0.00 117 W 8.48 4.41 0.00 3.46 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 0.00 118 G 8.26 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 0.00 119 K 7.60 4.14 0.00 1.94 1.78 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.42 7.81 120 T 7.57 4.35 4.34 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 1.15 0.00 0.00 121 G 8.41 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 0.00 0.00 0.00 122 R 7.62 2.94 0.00 0.99 0.66 0.00 2.55 0.00 0.00 2.72 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.33 0.00 123 K 7.86 3.90 0.00 1.84 1.83 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.37 1.40 7.81 124 A 7.72 4.02 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 0.00 125 V 7.46 3.59 2.15 0.00 0.00 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 1.04 0.00 0.00 126 T 7.91 3.87 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 1.24 0.00 0.00 127 F 8.42 4.01 0.00 3.09 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 0.00 128 A 8.24 3.95 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 0.00 129 V 7.97 3.53 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 1.03 0.00 0.00 1.03 0.00 0.00 130 E 7.68 4.17 0.00 1.96 1.92 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 2.48 2.45 0.00 131 F 8.16 4.08 0.00 1.84 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 0.00 132 E 8.38 3.74 0.00 2.11 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 2.24 2.30 0.00 133 K 7.44 3.95 0.00 2.04 1.78 0.00 1.69 0.00 0.00 1.55 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.39 7.81 134 E 7.68 3.79 0.00 1.92 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 2.25 2.31 0.00 135 L 7.81 3.75 0.00 1.01 1.27 0.79 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.68 4.07 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 0.00 137 G 7.64 3.77 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 0.00 0.00 0.00 138 K 7.65 4.52 0.00 1.66 1.80 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.56 7.81 139 R 7.46 4.71 0.00 1.69 1.75 0.00 3.14 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.74 0.00 140 T 8.43 4.04 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 * Residues marked with a * may have inaccurate shift predictions.