NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 4.4939 8.3016 107.8448 45.7385 0.0000 173.4151 4 L 4.0821 8.5110 126.4738 54.5240 43.4260 170.4219 5 V 4.7522 8.6523 125.9764 61.1808 34.7704 173.6161 6 A 5.0073 8.7576 129.5685 50.2000 21.7593 174.9457 7 S 5.7044 7.9137 114.0482 55.8452 67.4217 173.8780 8 N 4.2951 8.9261 113.3732 54.0484 36.3554 175.8945 9 L 4.0735 7.2716 119.0970 53.6905 39.0729 175.7106 10 N 4.2217 7.7211 118.1524 54.7689 39.9177 173.4627 11 L 4.8282 8.8290 128.3345 53.1026 44.7343 175.4288 12 K 5.1777 8.8857 124.8915 53.6294 35.7343 174.0504 13 P 3.7425 0.0000 0.0000 63.2923 31.4346 176.9408 14 G 4.0035 8.7611 110.8190 45.3047 0.0000 173.4152 15 E 4.5089 7.7332 118.7197 55.3111 31.1125 174.7870 16 C 4.9121 8.4807 122.0378 57.6456 33.9711 172.1646 17 L 4.8081 8.7963 129.4212 53.6095 42.8157 175.2328 18 K 4.5978 8.7019 129.0085 54.7169 34.3033 174.8686 19 V 4.6144 8.8195 127.8438 61.0160 34.3356 174.0696 20 R 5.0984 8.5108 127.2586 54.8324 33.7092 174.2128 21 G 3.6562 8.6555 111.3805 45.3625 0.0000 170.6935 22 E 5.1946 8.3113 117.0689 54.2956 32.5933 175.7533 23 L 4.9770 9.0153 122.9346 54.1818 43.4379 176.5661 24 A 4.4443 8.4233 124.1705 51.4358 19.3187 177.1321 25 P 4.3092 0.0000 0.0000 65.4746 31.4667 177.7032 26 D 4.8271 7.8758 115.1332 52.7018 39.9637 176.1452 27 A 4.2348 8.1859 122.7603 54.0680 19.0475 177.7643 28 K 4.0175 9.1801 122.3090 57.5801 33.9175 176.2471 29 S 4.5828 7.4232 110.8236 57.7335 66.2981 172.7585 30 F 5.2102 7.8056 112.6179 56.1294 41.5870 173.1387 31 V 4.6644 9.6497 118.9716 61.1728 35.4058 174.1434 32 L 5.3031 8.9404 125.3146 53.2454 45.4197 175.0202 33 N 5.5834 9.4714 122.0920 51.4767 41.4692 173.9196 34 L 5.3299 9.9915 122.9915 51.9054 45.7998 177.1006 35 G 4.2645 7.9025 108.9244 46.9469 0.0000 174.6167 36 K 4.1804 8.8440 120.8742 57.9686 33.4279 175.6698 37 D 3.9075 7.1886 115.6812 51.9300 41.6536 175.4501 38 S 3.8995 7.8243 112.7059 60.7749 62.9520 174.5312 39 N 4.5990 8.8175 117.3140 53.0555 39.1976 173.7285 40 N 5.3507 7.9255 115.9975 51.0800 40.9055 171.6218 41 L 5.8201 8.8475 122.8164 52.2057 43.7547 176.9472 42 C 4.4585 9.0035 118.8749 59.9394 30.9364 173.6163 43 L 4.6010 7.8288 122.1538 54.1642 45.5927 173.6837 44 H 5.1481 9.2618 126.9605 54.3563 31.4322 171.1384 45 F 4.5333 9.1853 127.8005 57.0542 40.4744 173.4748 46 N 5.2495 8.5386 126.0020 49.4556 39.4696 171.2510 47 P 4.5627 0.0000 0.0000 62.0876 33.4402 175.6653 48 R 4.6637 8.9800 120.1118 54.7319 34.5844 174.0969 49 F 5.9202 7.8334 116.2801 57.5881 41.0105 174.2859 50 N 4.4873 9.3700 115.5063 53.6980 36.3035 175.1897 *55 A 3.9561 7.4440 119.5078 52.7771 18.7683 173.2129 56 N 4.7046 8.0913 118.6527 52.4210 35.5562 173.0438 57 T 4.4714 7.2583 115.5161 61.3169 72.0014 171.4724 58 I 4.5162 7.9221 124.0401 59.1510 39.4075 175.0768 59 V 4.1869 8.1223 128.2919 62.6831 32.7817 174.6766 60 C 5.5160 9.2140 124.9308 57.2806 32.4218 172.5255 61 N 5.3055 7.9167 119.1013 53.3083 42.4973 172.4901 62 S 5.3988 8.8703 113.6951 56.4664 67.3251 172.7673 63 K 4.4928 9.1895 121.9288 54.7101 35.1633 174.0983 64 D 4.9233 8.7632 127.2653 53.4113 43.5863 176.0864 65 D 4.2592 9.7320 126.0527 55.3341 40.0542 174.7333 66 G 3.7623 8.4849 108.8611 45.1468 0.0000 173.5867 67 T 4.3137 8.0880 111.7787 59.1430 70.3644 174.5157 68 W 4.9396 7.8947 125.3847 56.4743 30.2001 174.6958 69 G 4.4707 8.2447 107.6907 45.6939 0.0000 172.5234 70 T 4.2428 8.7131 119.7158 63.3832 68.7891 174.5693 71 E 4.2526 8.8618 128.1573 56.3633 30.8288 175.6823 72 Q 4.6418 8.9436 125.5098 54.5132 32.6495 173.8129 73 R 5.2356 8.3746 124.4809 54.8110 32.9130 175.2402 74 E 4.4988 8.5288 116.9070 56.9221 34.5164 173.3580 *81 P 4.1296 0.0000 0.0000 62.7523 32.5063 176.5040 82 G 4.3056 8.8725 105.9352 46.9230 0.0000 173.5487 83 S 4.6995 7.7086 114.7734 56.9640 66.4573 172.9553 84 I 5.1548 8.4864 120.1504 59.2671 38.8473 175.5573 85 T 4.5445 8.1821 118.5342 60.6658 71.9223 172.8311 86 E 5.1179 8.4253 120.5118 55.4464 32.7804 174.3018 87 V 4.5020 8.7494 126.3937 61.0755 35.6087 173.3964 *89 I 4.3333 8.1020 118.9526 61.8457 38.3318 175.2560 90 T 5.3098 8.8525 122.1695 62.3504 73.4683 172.3778 91 F 5.2659 8.6403 116.7256 57.0394 41.5096 172.2828 92 D 4.2045 8.2399 116.3941 52.6881 41.6275 174.5135 93 Q 4.0897 8.8184 116.9138 59.7609 29.0966 178.1788 94 A 4.1064 8.2308 120.3335 54.5494 18.8514 176.4076 95 D 5.0667 8.8492 113.4084 52.7466 43.4518 174.0600 96 L 5.0003 9.0985 119.3509 54.3029 43.9576 176.4218 97 T 4.6748 9.6672 118.6034 62.0051 72.0128 172.9943 98 I 4.1376 7.7293 128.0423 59.5390 38.9575 174.8117 99 K 4.6198 8.2022 128.2235 54.4398 33.9818 175.8248 100 L 4.3971 8.6457 128.2124 53.2594 42.4687 176.4510 101 P 4.3029 0.0000 0.0000 65.7909 31.0376 176.9192 102 D 4.5573 8.0668 116.2050 53.5264 39.5793 175.8339 103 G 4.0921 8.0692 108.9705 46.0490 0.0000 174.2601 104 H 4.3801 8.1749 119.2727 56.2442 30.4591 173.7979 105 E 4.9367 8.0690 122.0358 54.6543 32.5989 173.9057 106 F 5.1584 7.9556 115.1317 55.1584 41.8591 173.5292 107 K 5.2385 8.9220 117.5292 54.7477 35.5260 175.6679 108 F 5.0586 8.9358 123.9968 55.6903 42.7668 172.1597 109 P 4.5289 0.0000 0.0000 62.7944 31.8607 176.7696 110 N 4.7371 8.6502 122.6368 51.9333 37.5157 175.2458 111 R 3.9182 8.0525 121.6118 59.2921 30.7566 178.8439 112 L 4.0008 7.9227 115.2552 55.8016 42.0081 176.3800 113 N 4.2929 7.9275 115.6422 54.5723 37.3126 173.7495 114 M 4.4836 8.1321 113.5138 54.6495 32.9081 175.9417 115 E 4.5752 8.7335 118.6613 56.6657 30.4185 175.9812 116 A 5.0457 7.6997 120.6578 50.6605 22.4524 175.3624 117 I 4.4252 8.6272 122.0500 59.7684 39.5358 175.7901 118 N 5.0408 8.9809 122.8250 52.9451 40.8095 173.3096 119 Y 5.3168 8.4093 120.7364 56.0694 42.6751 173.6893 120 M 5.5952 8.5874 124.1923 53.2458 36.5849 173.5045 121 A 5.0451 8.2537 124.9452 50.5654 23.0591 174.7605 122 A 5.3138 8.9425 124.5220 50.7743 22.0962 175.1777 123 D 4.6432 9.1565 117.7513 54.8109 45.2117 175.0901 124 G 3.9325 8.9235 108.7647 44.4266 0.0000 172.6530 125 D 4.9017 8.4334 115.0731 54.2451 40.1531 176.8373 126 F 4.8549 8.0129 119.3607 56.4108 42.9880 174.1746 127 K 4.2317 8.2360 127.9663 54.2222 33.4691 175.0632 128 I 3.7701 7.9505 128.3439 61.6884 37.4292 176.1955 129 K 4.3620 8.9960 124.0713 56.1865 34.0958 176.1377 *131 V 3.9556 7.7531 119.6051 62.7195 32.2390 174.3496 132 A 4.6107 8.6176 128.3825 50.0790 23.1841 174.8401 133 F 4.9962 8.7452 117.5458 55.9099 41.6435 175.3404 134 E 4.3754 9.2808 123.6373 56.2963 29.6619 176.4037 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 3 G 8.30 4.49 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 0.00 4 L 8.51 4.08 0.00 1.80 1.53 0.90 0.49 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 5 V 8.65 4.75 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 0.92 0.00 0.00 1.01 0.00 0.00 6 A 8.76 5.01 1.23 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 7 S 7.91 5.70 0.00 3.98 4.11 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 8 N 8.93 4.30 0.00 2.91 2.94 0.00 0.00 6.88 7.85 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 9 L 7.27 4.07 0.00 1.68 1.71 1.09 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.72 4.22 0.00 2.71 2.81 0.00 0.00 7.06 7.78 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 11 L 8.83 4.83 0.00 2.11 1.63 1.20 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.89 5.18 0.00 1.90 1.70 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.43 7.81 13 P 0.00 3.74 0.00 1.75 1.40 0.00 3.61 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.05 0.00 14 G 8.76 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 0.00 0.00 0.00 15 E 7.73 4.51 0.00 2.25 2.01 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 2.34 2.37 0.00 16 C 8.48 4.91 0.00 3.01 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 17 L 8.80 4.81 0.00 1.71 1.55 0.64 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.70 4.60 0.00 1.77 1.52 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.31 7.81 19 V 8.82 4.61 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 1.05 0.00 0.00 0.89 0.00 0.00 20 R 8.51 5.10 0.00 1.86 1.65 0.00 3.19 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 21 G 8.66 3.66 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 22 E 8.31 5.19 0.00 2.14 1.96 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 2.05 2.17 0.00 23 L 9.02 4.98 0.00 1.72 1.78 1.03 0.96 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 24 A 8.42 4.44 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 25 P 0.00 4.31 0.00 2.08 2.15 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 26 D 7.88 4.83 0.00 2.80 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 27 A 8.19 4.23 1.67 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 28 K 9.18 4.02 0.00 1.74 1.61 0.00 1.54 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.24 7.81 29 S 7.42 4.58 0.00 3.74 3.60 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 30 F 7.81 5.21 0.00 3.25 3.24 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 0.00 31 V 9.65 4.66 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 1.00 0.00 0.00 0.88 0.00 0.00 32 L 8.94 5.30 0.00 1.96 1.67 1.22 0.58 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 33 N 9.47 5.58 0.00 2.75 2.93 0.00 0.00 6.33 6.31 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 34 L 9.99 5.33 0.00 1.55 1.49 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.90 4.26 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 0.00 36 K 8.84 4.18 0.00 1.69 1.84 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.50 7.81 37 D 7.19 3.91 0.00 2.46 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 38 S 7.82 3.90 0.00 3.91 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 39 N 8.82 4.60 0.00 2.69 2.81 0.00 0.00 6.57 6.84 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 40 N 7.93 5.35 0.00 2.67 2.65 0.00 0.00 6.78 6.38 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 41 L 8.85 5.82 0.00 1.66 1.78 1.02 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 42 C 9.00 4.46 0.00 3.06 3.10 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 43 L 7.83 4.60 0.00 1.81 1.53 0.76 0.82 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 44 H 9.26 5.15 0.00 3.56 3.40 0.00 5.82 0.00 0.00 0.00 0.00 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.19 4.53 0.00 3.08 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 46 N 8.54 5.25 0.00 2.37 2.41 0.00 0.00 6.82 7.16 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 47 P 0.00 4.56 0.00 1.94 1.54 0.00 2.71 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.44 0.00 48 R 8.98 4.66 0.00 1.61 1.56 0.00 2.97 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.46 0.00 49 F 7.83 5.92 0.00 3.02 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 50 N 9.37 4.49 0.00 2.90 3.20 0.00 0.00 6.83 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 *55 A 7.44 3.96 1.24 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 0.00 0.00 0.00 56 N 8.09 4.70 0.00 2.93 2.88 0.00 0.00 7.05 7.05 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 57 T 7.26 4.47 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 1.11 0.00 0.00 58 I 7.92 4.52 1.66 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.92 0.72 0.00 0.00 59 V 8.12 4.19 1.87 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 0.86 0.00 0.00 0.85 0.00 0.00 60 C 9.21 5.52 0.00 2.70 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 0.00 0.00 0.00 61 N 7.92 5.31 0.00 2.76 2.83 0.00 0.00 6.61 7.63 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 62 S 8.87 5.40 0.00 4.16 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 0.00 63 K 9.19 4.49 0.00 0.99 1.31 0.00 1.08 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 0.54 7.81 64 D 8.76 4.92 0.00 2.73 2.45 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 65 D 9.73 4.26 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 66 G 8.48 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 67 T 8.09 4.31 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 1.19 0.00 0.00 68 W 7.89 4.94 0.00 3.24 3.24 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 0.00 69 G 8.24 4.47 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 0.00 70 T 8.71 4.24 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 1.25 0.00 0.00 71 E 8.86 4.25 0.00 1.93 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 2.25 0.00 72 Q 8.94 4.64 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.51 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 73 R 8.37 5.24 0.00 1.64 1.71 0.00 3.41 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 74 E 8.53 4.50 0.00 1.72 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 2.04 1.50 0.00 *81 P 0.00 4.13 0.00 2.32 2.27 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 82 G 8.87 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 0.00 0.00 0.00 0.00 83 S 7.71 4.70 0.00 3.91 4.03 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 84 I 8.49 5.15 1.86 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 0.99 1.63 0.93 0.00 0.00 85 T 8.18 4.54 4.28 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 1.21 0.00 0.00 86 E 8.43 5.12 0.00 1.97 1.81 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 2.19 2.43 0.00 87 V 8.75 4.50 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 0.68 0.00 0.00 1.00 0.00 0.00 *89 I 8.10 4.33 1.79 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 1.07 0.35 0.85 0.00 0.00 90 T 8.85 5.31 4.26 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 1.33 0.00 0.00 91 F 8.64 5.27 0.00 3.20 3.07 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 0.00 0.00 0.00 92 D 8.24 4.20 0.00 2.62 2.54 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 0.00 0.00 0.00 0.00 93 Q 8.82 4.09 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.10 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 94 A 8.23 4.11 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 95 D 8.85 5.07 0.00 2.85 2.84 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 0.00 0.00 0.00 96 L 9.10 5.00 0.00 1.80 1.69 1.18 0.70 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 97 T 9.67 4.67 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 1.15 0.00 0.00 98 I 7.73 4.14 0.56 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 0.54 0.64 0.32 0.00 0.00 99 K 8.20 4.62 0.00 1.61 1.59 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.47 7.81 100 L 8.65 4.40 0.00 2.06 1.67 1.24 0.95 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 0.00 101 P 0.00 4.30 0.00 2.18 2.21 0.00 3.82 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 2.02 2.00 0.00 102 D 8.07 4.56 0.00 2.83 2.84 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 0.00 0.00 0.00 103 G 8.07 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 0.00 0.00 0.00 0.00 104 H 8.17 4.38 0.00 3.32 3.63 0.00 5.77 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.07 4.94 0.00 2.00 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 0.00 2.12 2.24 0.00 106 F 7.96 5.16 0.00 3.23 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 0.00 107 K 8.92 5.24 0.00 1.72 1.81 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.43 7.81 108 F 8.94 5.06 0.00 3.28 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 0.00 109 P 0.00 4.53 0.00 1.92 1.89 0.00 2.64 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.62 0.00 110 N 8.65 4.74 0.00 2.87 3.03 0.00 0.00 7.09 7.27 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 0.00 111 R 8.05 3.92 0.00 1.88 2.01 0.00 3.34 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 112 L 7.92 4.00 0.00 1.66 1.76 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.93 4.29 0.00 2.91 2.92 0.00 0.00 7.18 7.64 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 0.00 114 M 8.13 4.48 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 115 E 8.73 4.58 0.00 2.02 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 2.28 2.49 0.00 116 A 7.70 5.05 1.31 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 0.00 0.00 0.00 117 I 8.63 4.43 1.70 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.03 0.86 0.00 0.00 118 N 8.98 5.04 0.00 2.73 2.83 0.00 0.00 6.47 7.48 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 0.00 119 Y 8.41 5.32 0.00 3.16 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 0.00 120 M 8.59 5.60 0.00 1.95 1.75 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 2.45 2.25 0.00 121 A 8.25 5.05 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 0.00 122 A 8.94 5.31 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 0.00 123 D 9.16 4.64 0.00 2.88 2.57 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 0.00 0.00 0.00 0.00 124 G 8.92 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 0.00 125 D 8.43 4.90 0.00 2.88 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 0.00 126 F 8.01 4.85 0.00 2.59 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 0.00 127 K 8.24 4.23 0.00 1.76 1.49 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.19 1.27 7.81 128 I 7.95 3.77 1.73 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.86 0.80 0.00 0.00 129 K 9.00 4.36 0.00 1.43 1.68 0.00 1.77 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.22 7.81 *131 V 7.75 3.96 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 0.37 0.00 0.00 0.86 0.00 0.00 132 A 8.62 4.61 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 133 F 8.75 5.00 0.00 2.91 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 0.00 134 E 9.28 4.38 0.00 1.86 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 2.37 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.