NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.9013 8.1676 115.9074 57.2766 40.0164 177.1700 11 H 3.9109 6.2758 117.3894 56.4133 28.8725 174.0072 12 E 3.7921 8.0887 123.1104 59.5759 30.4327 179.9283 13 M 4.4492 7.7106 115.9706 55.6842 32.0542 177.3651 14 R 4.5370 7.8121 116.3365 55.4793 33.6327 175.3775 15 E 4.0495 7.8228 116.8561 54.8851 29.9648 174.9055 16 P 4.3932 0.0000 0.0000 63.0733 32.3837 175.3253 17 R 4.5325 7.9935 115.2610 55.1796 33.2112 174.1930 18 I 4.2958 8.3569 121.8456 61.1990 37.1805 175.4170 19 E 4.3197 8.8923 129.6536 58.4060 30.0583 176.7149 20 K 5.4953 7.6620 116.5916 55.8886 36.4511 174.6897 21 V 4.6090 8.3306 121.5305 61.3306 34.4850 174.1606 22 V 5.1154 8.3092 129.0692 60.9316 33.3207 175.1382 23 V 4.3268 8.1384 122.6195 60.2132 32.5843 174.2195 24 H 5.2688 8.6632 125.2009 54.4166 33.6303 172.6084 25 M 4.4940 8.4894 123.0720 53.2151 34.2431 174.7281 26 G 3.7885 8.1701 111.1379 46.3939 0.0000 171.6049 27 I 3.9054 8.1711 126.8299 63.8390 37.1411 176.8175 28 G 3.9008 8.5941 108.2470 45.4039 0.0000 173.1999 29 H 4.6962 7.7445 113.7556 55.3822 30.8918 175.1617 *35 A 4.2766 8.0489 123.3040 52.8489 19.0335 178.6557 36 N 4.4178 9.3071 120.5901 53.5385 38.3861 176.4355 37 A 4.5371 7.8017 121.8336 52.3647 19.2786 178.6342 38 E 4.1283 8.0358 120.4451 60.4100 29.3632 179.1379 39 D 4.3875 8.0936 118.7031 57.2861 40.9180 178.5984 40 I 3.7563 7.3367 113.9415 63.9322 37.2126 178.4037 41 L 4.1030 7.8789 120.3372 57.5615 41.1241 179.2020 42 G 3.6047 7.8715 105.3473 46.7533 0.0000 175.3320 43 E 4.2015 7.7074 119.4557 59.0694 30.0666 178.2862 44 I 4.0167 7.4854 116.9641 63.5819 38.1029 177.7159 45 T 4.1708 8.4301 110.8438 65.3828 69.2617 175.7139 46 G 4.1931 7.1233 107.7184 44.5987 0.0000 173.7453 47 Q 4.2761 8.0805 120.2712 55.4466 29.8009 173.3412 48 M 4.6452 8.5652 116.8948 53.0451 34.2512 173.6676 49 P 4.8665 0.0000 0.0000 62.2658 33.5466 175.4523 50 V 4.5212 8.3738 113.4533 59.2381 34.9292 175.9729 51 R 4.4695 8.7583 123.2893 56.9712 31.2739 176.0312 52 T 4.5157 8.5749 117.2788 61.4782 71.2113 172.6669 53 K 4.9587 8.9276 133.6203 55.6371 34.0303 175.3685 54 A 4.4505 8.0537 129.8105 53.0663 22.8246 175.4997 55 K 4.4878 8.5088 116.2232 56.4487 36.2709 172.9265 56 R 3.9943 8.7498 129.4619 55.6823 30.2804 176.5728 57 T 4.0205 8.4440 119.2098 63.4555 69.2377 173.9530 58 V 4.4743 8.7111 125.6198 60.7844 34.1108 176.7411 59 G 3.7568 8.6403 114.3472 47.7547 0.0000 173.6984 60 E 4.2259 8.0134 119.1256 57.1327 29.8021 176.6882 61 F 4.0413 8.1450 117.0667 60.0877 38.5396 175.9403 62 D 4.5603 7.8806 120.9426 53.0368 42.1059 174.8876 63 I 3.8910 7.3622 115.2532 62.4909 39.1320 177.7533 64 R 3.7871 7.6821 121.1437 56.0022 28.6896 174.9566 65 E 3.9053 8.3042 128.2711 58.5920 30.2770 176.2214 66 G 4.2559 7.6072 116.2148 45.3482 0.0000 170.8739 67 D 4.8239 8.1423 124.7617 50.8709 43.2079 172.5601 68 P 4.4119 0.0000 0.0000 64.1712 31.5319 175.3166 69 I 4.2031 9.3292 125.8333 62.8213 39.2365 175.0431 70 G 4.1672 7.7807 108.5390 46.0298 0.0000 170.8122 71 A 5.2993 8.4815 121.9767 51.2046 23.4441 175.2995 72 K 5.2614 8.5633 116.7072 57.1384 36.7959 175.2555 73 V 4.5475 7.9713 120.1808 61.7209 34.8084 173.4378 74 T 4.7179 8.5563 119.1211 60.6335 69.6361 173.9666 75 L 4.6066 8.7465 127.8624 53.4206 43.5804 176.2584 76 R 4.7937 7.9834 121.0189 54.4727 34.1370 175.4090 77 D 4.4569 9.0126 121.5200 55.6758 39.2200 176.2504 78 E 4.0185 8.9997 125.4578 60.9689 28.8375 178.3389 79 M 4.2637 8.1975 117.7943 58.1552 31.9099 178.6578 80 A 3.9450 7.7923 120.4184 55.1266 18.8787 179.3269 81 E 3.9975 8.2577 116.9259 59.8367 29.4269 179.4509 82 E 3.9622 8.5114 117.4291 59.2761 29.5756 179.1877 83 F 4.3104 7.8835 120.4728 61.2861 39.6404 177.4327 84 L 4.0533 8.3079 118.6037 57.8527 41.1337 179.3599 85 Q 4.0818 8.1733 117.8687 58.6036 28.6745 178.4272 86 T 4.4412 7.2159 107.4023 61.3432 69.4065 174.8357 87 A 4.3980 7.3035 125.1661 53.8601 21.5195 179.2849 88 L 3.8806 8.6496 116.1180 57.5442 41.7268 177.9622 89 P 4.2603 0.0000 0.0000 65.0783 31.3329 176.9184 90 L 4.4138 7.3695 116.9557 54.3528 41.2780 176.1868 91 A 4.4767 7.4130 119.9189 51.3314 22.0535 177.3796 92 E 4.3701 8.4183 121.0616 54.4340 28.8833 176.3760 93 L 4.0966 8.1158 123.2382 54.6434 42.3472 176.3473 94 A 4.8679 8.1256 122.7295 50.8130 22.8673 176.5925 95 T 4.1764 8.4989 114.4675 66.8308 68.7560 178.0421 96 S 4.2784 8.0995 114.0093 61.2558 62.6817 175.2065 97 Q 4.2727 8.3532 117.6760 56.7515 28.3408 174.8706 98 F 5.1374 7.9117 117.6407 55.4959 40.7995 175.3808 99 D 4.6509 9.6864 126.3251 53.8069 41.8195 176.6614 100 D 4.4199 8.8589 124.6969 58.0845 40.9226 177.7941 101 T 4.2539 8.1160 112.6960 63.5621 67.2929 174.3167 102 G 3.7978 8.4614 108.9980 46.9537 0.0000 172.1193 103 N 5.7991 7.5722 114.9161 51.6695 44.0136 174.2219 104 F 4.7605 7.8664 110.2323 57.3752 41.2092 173.0826 105 S 5.0285 8.6767 113.9830 56.7148 65.4583 173.2288 106 F 4.7477 8.5138 120.0258 56.3079 40.5882 171.2778 107 G 4.1068 9.1521 109.5596 43.7154 0.0000 174.7813 *128 L 4.0911 8.3722 127.6239 55.1488 42.7622 175.8873 129 D 4.7288 8.5450 126.8275 52.7855 43.2686 176.0047 130 V 4.3812 7.4931 121.4429 61.3950 34.0889 174.1454 131 T 4.6438 8.2833 124.9210 61.5545 71.5923 173.6455 132 V 4.5446 7.6982 125.4588 61.0787 34.2609 173.8581 133 N 4.7263 9.0398 128.4535 52.5489 39.7073 173.5517 134 L 5.2160 7.6859 125.0618 53.5175 44.0684 176.4612 135 V 4.2239 7.7465 119.1257 60.8424 34.7612 172.6027 136 R 4.2725 8.5135 120.4860 55.6119 30.8398 176.6124 137 P 4.1505 0.0000 0.0000 65.1736 32.0208 177.2725 138 G 4.1417 7.7746 107.2265 45.1678 0.0000 174.4292 139 Y 4.2449 7.8144 120.2545 59.7033 39.3630 175.6648 140 R 3.8401 8.1778 119.3253 59.2566 29.9122 178.2171 141 V 3.5686 7.3856 117.9086 65.0882 31.2295 176.6701 142 A 4.7574 7.4917 118.9864 50.9265 19.3922 177.0957 143 K 4.3134 7.4914 115.4748 55.6308 33.8467 176.5724 144 R 4.3520 7.5384 115.3576 55.0787 30.8226 176.3697 145 D 4.4325 8.3283 117.8297 57.1271 41.2168 177.4071 146 K 4.0275 7.8695 118.3181 57.5374 32.7079 177.0561 147 A 4.3588 8.7504 124.7334 52.5528 16.3324 177.1833 148 S 4.5188 7.1582 112.3925 60.7056 63.7414 173.7035 149 R 4.6559 8.8189 120.7638 54.9532 33.7648 174.0555 150 S 4.4304 8.5645 119.8341 57.8621 63.3825 173.8148 151 I 3.9065 8.2393 127.2206 60.4808 37.8351 174.5217 152 P 4.4857 0.0000 0.0000 62.3996 32.1820 177.5169 153 T 3.9419 8.6072 111.4378 64.8465 68.7631 176.6810 154 K 4.0137 8.1067 120.2411 58.7593 32.1654 176.8646 155 H 4.6642 7.8429 115.9572 55.7541 30.2983 174.8444 156 R 4.2220 7.6514 118.3979 56.1734 30.5767 176.3749 157 L 4.1360 8.3511 123.8096 55.1385 43.0224 176.1422 158 N 5.1173 8.2110 119.8731 50.5396 42.6937 174.2806 159 P 4.2643 0.0000 0.0000 65.7505 31.4515 178.9264 160 A 3.8119 7.8317 118.8956 55.4069 18.4144 179.3662 161 D 4.2795 8.0629 116.3838 56.9606 40.7371 178.8848 162 A 4.0030 8.0055 121.8021 55.1571 18.5702 179.5419 163 V 3.1486 7.4721 116.4985 66.0078 31.2879 177.8489 164 A 3.8984 7.9966 120.3558 55.2656 17.9830 179.4384 165 F 4.1179 7.7945 117.0607 61.4503 39.7878 177.1662 166 I 3.6394 8.0898 119.6127 64.4702 36.7928 177.9473 167 E 4.5691 8.2947 120.4022 58.6331 29.2954 178.3255 168 S 4.4455 7.2216 109.6725 58.1447 63.3105 174.9852 169 T 4.1540 7.3257 117.1873 62.8229 69.8467 173.0284 170 Y 3.6424 7.4361 125.6989 58.2279 35.7242 168.5604 171 D 4.3104 6.9517 117.2545 53.6544 42.0343 173.9452 172 V 4.9176 8.2156 118.8930 61.2521 35.6543 174.7911 173 E 4.3632 8.3161 118.1477 55.9722 28.6255 175.9727 174 V 3.7181 8.8810 117.1426 62.9928 31.4563 174.4753 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 10 F 8.17 4.90 0.00 3.35 3.31 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 11 H 6.28 3.91 0.00 3.10 2.69 0.00 5.46 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.09 3.79 0.00 1.93 1.86 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 2.24 2.19 0.00 13 M 7.71 4.45 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 14 R 7.81 4.54 0.00 1.94 1.84 0.00 3.20 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.82 0.00 15 E 7.82 4.05 0.00 2.05 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 2.46 2.23 0.00 16 P 0.00 4.39 0.00 0.52 1.56 0.00 3.47 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 1.82 1.90 0.00 17 R 7.99 4.53 0.00 1.88 1.89 0.00 2.76 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 18 I 8.36 4.30 1.98 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.82 0.98 0.00 0.00 19 E 8.89 4.32 0.00 1.91 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 2.32 2.29 0.00 20 K 7.66 5.50 0.00 1.79 1.82 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.24 7.81 21 V 8.33 4.61 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 0.92 0.00 0.00 0.98 0.00 0.00 22 V 8.31 5.12 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 0.97 0.00 0.00 0.85 0.00 0.00 23 V 8.14 4.33 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 0.35 0.00 0.00 0.70 0.00 0.00 24 H 8.66 5.27 0.00 3.18 3.01 0.00 5.52 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.49 4.49 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 26 G 8.17 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 27 I 8.17 3.91 2.11 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.78 0.89 0.00 0.00 28 G 8.59 3.90 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 0.00 0.00 0.00 29 H 7.74 4.70 0.00 3.16 3.33 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 8.05 4.28 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 36 N 9.31 4.42 0.00 2.85 2.96 0.00 0.00 5.86 7.26 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 37 A 7.80 4.54 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 38 E 8.04 4.13 0.00 1.98 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 2.31 2.60 0.00 39 D 8.09 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 40 I 7.34 3.76 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.68 0.92 0.00 0.00 41 L 7.88 4.10 0.00 1.82 1.70 0.88 1.01 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 42 G 7.87 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 0.00 0.00 0.00 43 E 7.71 4.20 0.00 2.10 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 2.32 2.47 0.00 44 I 7.49 4.02 1.96 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 1.88 0.84 1.15 0.00 0.00 45 T 8.43 4.17 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 1.03 0.00 0.00 46 G 7.12 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 0.00 0.00 0.00 0.00 47 Q 8.08 4.28 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.72 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 48 M 8.57 4.65 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 49 P 0.00 4.87 0.00 2.04 2.00 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.15 0.00 50 V 8.37 4.52 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 0.79 0.00 0.00 0.98 0.00 0.00 51 R 8.76 4.47 0.00 1.68 1.86 0.00 3.30 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 52 T 8.57 4.52 4.35 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 1.20 0.00 0.00 53 K 8.93 4.96 0.00 1.62 1.55 0.00 1.82 0.00 0.00 0.61 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.26 7.81 54 A 8.05 4.45 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 55 K 8.51 4.49 0.00 1.59 1.65 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.45 7.81 56 R 8.75 3.99 0.00 1.96 1.98 0.00 3.20 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 57 T 8.44 4.02 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 58 V 8.71 4.47 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 1.01 0.00 0.00 0.95 0.00 0.00 59 G 8.64 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 60 E 8.01 4.23 0.00 2.14 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 2.29 2.31 0.00 61 F 8.15 4.04 0.00 3.05 3.12 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 0.00 62 D 7.88 4.56 0.00 2.65 2.42 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 63 I 7.36 3.89 1.85 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 1.19 0.67 0.93 0.00 0.00 64 R 7.68 3.79 0.00 1.70 2.09 0.00 3.19 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 65 E 8.30 3.91 0.00 2.02 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 2.35 2.29 0.00 66 G 7.61 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 67 D 8.14 4.82 0.00 2.64 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 68 P 0.00 4.41 0.00 1.94 2.08 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 69 I 9.33 4.20 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.01 0.91 0.00 0.00 70 G 7.78 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 0.00 0.00 0.00 0.00 71 A 8.48 5.30 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 72 K 8.56 5.26 0.00 1.80 1.88 0.00 1.50 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.17 7.81 73 V 7.97 4.55 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 0.91 0.00 0.00 0.85 0.00 0.00 74 T 8.56 4.72 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 1.16 0.00 0.00 75 L 8.75 4.61 0.00 1.56 1.64 0.51 0.63 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 76 R 7.98 4.79 0.00 1.63 1.78 0.00 3.32 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.62 0.00 77 D 9.01 4.46 0.00 2.90 2.16 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 78 E 9.00 4.02 0.00 2.03 2.22 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 2.43 2.44 0.00 79 M 8.20 4.26 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.58 0.00 80 A 7.79 3.94 1.41 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 0.00 0.00 81 E 8.26 4.00 0.00 2.11 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 2.43 2.57 0.00 82 E 8.51 3.96 0.00 2.06 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 2.38 2.46 0.00 83 F 7.88 4.31 0.00 3.09 3.31 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 84 L 8.31 4.05 0.00 2.00 1.83 1.10 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.17 4.08 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.29 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 86 T 7.22 4.44 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 1.14 0.00 0.00 87 A 7.30 4.40 0.83 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 0.00 0.00 88 L 8.65 3.88 0.00 1.70 1.69 1.01 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.26 0.00 1.99 2.08 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 90 L 7.37 4.41 0.00 1.78 1.70 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.41 4.48 1.06 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 0.00 0.00 92 E 8.42 4.37 0.00 1.97 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 2.24 2.31 0.00 93 L 8.12 4.10 0.00 1.63 1.66 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.13 4.87 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 95 T 8.50 4.18 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 1.19 0.00 0.00 96 S 8.10 4.28 0.00 4.03 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 97 Q 8.35 4.27 0.00 2.42 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.92 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 98 F 7.91 5.14 0.00 3.18 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 99 D 9.69 4.65 0.00 2.62 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 0.00 100 D 8.86 4.42 0.00 2.75 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 0.00 101 T 8.12 4.25 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 1.25 0.00 0.00 102 G 8.46 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 0.00 0.00 0.00 103 N 7.57 5.80 0.00 2.81 2.81 0.00 0.00 6.56 8.13 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 0.00 104 F 7.87 4.76 0.00 2.81 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 0.00 0.00 0.00 105 S 8.68 5.03 0.00 3.73 3.67 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 0.00 106 F 8.51 4.75 0.00 3.10 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 0.00 107 G 9.15 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 0.00 0.00 0.00 *128 L 8.37 4.09 0.00 1.68 1.67 0.95 1.14 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 0.00 129 D 8.55 4.73 0.00 2.61 2.44 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 0.00 130 V 7.49 4.38 0.68 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 0.94 0.00 0.00 0.87 0.00 0.00 131 T 8.28 4.64 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 1.09 0.00 0.00 132 V 7.70 4.54 1.41 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 1.07 0.00 0.00 0.72 0.00 0.00 133 N 9.04 4.73 0.00 2.75 2.64 0.00 0.00 6.68 7.29 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 0.00 134 L 7.69 5.22 0.00 1.88 1.55 1.26 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.75 4.22 1.52 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 0.19 0.00 0.00 0.58 0.00 0.00 136 R 8.51 4.27 0.00 1.78 1.81 0.00 3.18 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 137 P 0.00 4.15 0.00 2.06 2.11 0.00 3.62 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 138 G 7.77 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 7.81 4.24 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 0.00 140 R 8.18 3.84 0.00 1.93 1.93 0.00 3.24 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 141 V 7.39 3.57 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 1.00 0.00 0.00 0.95 0.00 0.00 142 A 7.49 4.76 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.49 4.31 0.00 1.62 1.74 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.80 1.40 7.81 144 R 7.54 4.35 0.00 1.88 1.95 0.00 3.00 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 145 D 8.33 4.43 0.00 2.68 2.73 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 0.00 146 K 7.87 4.03 0.00 1.80 1.71 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.42 7.81 147 A 8.75 4.36 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 0.00 148 S 7.16 4.52 0.00 3.89 4.07 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 0.00 149 R 8.82 4.66 0.00 1.86 1.70 0.00 3.12 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 150 S 8.56 4.43 0.00 3.91 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 0.00 151 I 8.24 3.91 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 1.40 1.14 1.02 0.00 0.00 152 P 0.00 4.49 0.00 2.21 1.99 0.00 3.62 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 153 T 8.61 3.94 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 1.23 0.00 0.00 154 K 8.11 4.01 0.00 1.79 1.95 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.51 7.81 155 H 7.84 4.66 0.00 3.14 3.43 0.00 5.94 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.65 4.22 0.00 2.07 1.88 0.00 3.44 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.75 0.00 157 L 8.35 4.14 0.00 1.53 1.74 0.86 0.96 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 0.00 158 N 8.21 5.12 0.00 2.92 2.66 0.00 0.00 6.92 8.03 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 0.00 159 P 0.00 4.26 0.00 2.12 2.14 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.33 0.00 160 A 7.83 3.81 1.25 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 0.00 0.00 161 D 8.06 4.28 0.00 2.80 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 0.00 162 A 8.01 4.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.47 3.15 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 0.58 0.00 0.00 -0.12 0.00 0.00 164 A 8.00 3.90 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 0.00 165 F 7.79 4.12 0.00 2.98 3.29 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 0.00 166 I 8.09 3.64 1.85 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 1.64 0.93 0.92 0.00 0.00 167 E 8.29 4.57 0.00 1.90 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 2.25 2.26 0.00 168 S 7.22 4.45 0.00 3.88 3.84 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 0.00 169 T 7.33 4.15 4.13 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 1.13 0.00 0.00 170 Y 7.44 3.64 0.00 3.10 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 0.00 171 D 6.95 4.31 0.00 2.82 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 0.00 172 V 8.22 4.92 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 0.90 0.00 0.00 0.91 0.00 0.00 173 E 8.32 4.36 0.00 1.99 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 2.27 2.21 0.00 174 V 8.88 3.72 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 0.77 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.