NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4106 8.1733 122.0556 56.3297 33.9579 174.1172 3 I 5.0989 8.5098 127.0080 59.2198 40.1659 173.5299 4 R 4.6896 9.2821 124.6977 54.4350 34.5941 173.8849 5 I 4.8151 8.3858 122.9640 59.7962 40.4283 174.3761 6 G 4.5616 9.0363 114.0568 44.8932 0.0000 170.6611 7 H 5.5895 8.8820 119.8564 54.0963 33.0287 172.7439 8 G 4.3160 9.0270 111.6448 44.4865 0.0000 171.2550 9 F 5.3870 8.5749 123.6170 56.5219 42.5566 172.9733 10 D 4.6070 8.0888 124.1310 52.7353 45.2140 173.8921 11 V 5.0831 7.7442 121.5416 60.6838 34.7594 173.9130 12 H 5.0509 8.5297 123.0780 53.6603 33.3687 172.4816 13 K 4.7438 8.3753 119.6014 55.9627 34.4306 176.3393 14 F 4.9721 8.5597 121.5230 58.0684 39.3994 174.3233 15 G 3.3664 8.3151 113.3604 45.1628 0.0000 173.2871 16 E 4.3925 8.0593 123.9085 54.3193 30.4250 173.9702 17 P 4.6191 0.0000 0.0000 61.2346 29.7383 175.0108 18 R 4.5495 7.5965 122.2045 54.8869 32.2681 173.1212 19 P 4.3534 0.0000 0.0000 63.1444 32.1387 176.3969 20 L 4.3456 8.6620 125.8156 54.5602 42.6326 174.9704 21 I 4.8521 8.2259 128.0066 59.4928 39.6466 175.0673 22 L 4.8710 8.6732 127.3822 54.0200 44.3571 176.3973 23 C 4.0897 10.1649 124.4337 60.4076 29.9367 173.6861 24 G 3.9055 8.8393 104.2996 45.0868 0.0000 173.9660 25 V 4.2725 7.4821 119.7992 60.4738 33.6090 173.9149 26 E 4.5959 8.7549 128.4051 55.9354 30.1221 175.4506 27 V 4.2252 8.3985 128.0521 60.1641 33.2844 173.6405 28 P 4.4602 0.0000 0.0000 63.2505 30.9069 175.0762 29 Y 4.7036 8.2641 122.7034 56.5362 41.4452 174.6806 30 E 3.9719 7.4455 121.8534 59.0053 29.7883 176.0929 31 T 4.6126 7.0837 112.8158 61.0127 71.4784 172.0321 32 G 4.6105 8.9670 110.8002 43.6698 0.0000 171.4688 33 L 5.2252 8.3601 119.0002 52.9198 43.5120 176.9992 34 V 3.8787 8.8437 124.4512 63.1173 31.8448 174.9439 35 A 4.4032 8.1538 127.3857 51.6204 21.7235 175.6952 36 H 4.3624 8.8866 119.2973 59.7905 30.6584 176.1389 37 S 4.4721 7.7506 111.6813 57.7259 64.6700 173.1988 38 D 4.3392 8.2425 119.4915 55.0697 39.0822 177.1529 39 G 3.6648 7.8131 108.5526 46.1916 0.0000 174.9724 40 D 4.7095 8.1837 122.0567 52.9997 39.4521 176.7102 41 V 3.7198 7.8431 126.2343 64.0409 31.6229 178.5495 42 V 3.4713 7.6257 118.5309 66.0002 31.4921 177.9265 43 L 4.0178 8.0932 118.7094 57.8611 41.3211 179.2778 44 H 4.1909 8.2724 116.0941 58.9123 28.7246 177.6139 45 A 3.9719 7.8712 122.2790 55.2487 18.1591 179.7898 46 I 3.6874 7.7505 118.2433 64.5671 36.9951 178.8135 47 S 4.1829 8.3828 116.3073 61.8332 62.6078 176.5728 48 D 4.3660 8.4076 121.3982 57.2079 40.4965 178.6893 49 A 4.0810 8.0629 121.4028 55.0751 18.1284 179.8353 50 I 3.6773 7.7151 117.3491 64.5870 37.5105 178.1382 51 L 4.2013 8.2455 120.2384 57.8865 41.2292 179.9597 52 G 3.6309 8.2477 104.4817 47.5687 0.0000 176.6369 53 A 5.0254 7.9779 121.1179 51.3677 18.9160 177.5971 *55 A 4.0845 7.9269 120.6465 54.2152 19.7673 178.1586 56 L 4.6728 8.4164 117.5226 55.2671 43.4248 177.7180 57 G 4.0527 9.4036 108.8385 45.0176 0.0000 175.7288 58 D 4.7533 8.2036 126.5432 50.9589 43.2348 175.2983 59 I 3.9103 9.0460 113.5860 63.6982 37.2601 178.4832 60 G 3.5306 8.0851 106.7637 47.2669 0.0000 175.3385 61 K 3.9966 7.7221 120.7329 59.8787 32.4050 178.4932 62 H 3.9787 7.4289 114.4910 57.1911 29.8690 175.9728 63 F 4.1388 7.4177 117.6492 54.6400 39.4014 172.7521 64 P 4.4769 0.0000 0.0000 62.5787 32.2856 178.2492 65 D 4.3945 8.5613 120.6201 56.6174 40.9665 177.5728 66 T 3.9587 7.8121 108.3187 62.9941 69.4901 173.6968 67 D 4.7130 8.0958 123.3053 52.3974 41.8499 176.7651 68 A 4.1398 8.7052 130.0747 54.6279 18.6997 178.7361 69 A 3.8142 8.2119 118.7667 55.0000 18.5144 177.9385 70 Y 4.5174 7.6778 111.3317 57.5833 38.6609 175.4449 71 K 4.0006 7.6900 122.9171 57.5372 32.3291 176.8235 72 G 3.8456 9.1545 114.3721 45.6096 0.0000 173.3973 73 A 4.0416 7.7925 123.2236 51.6332 19.1561 177.0637 74 D 4.8773 8.5216 121.1844 54.2834 41.7913 177.4160 75 S 4.2841 9.0886 123.0942 60.6452 62.7424 176.6727 76 R 3.9320 8.3046 121.5664 58.9053 29.7130 179.0263 77 V 3.5657 7.7876 118.4164 65.8403 31.5409 178.1027 78 L 3.3350 7.5742 118.2313 57.4239 41.3953 178.9968 79 L 4.1064 7.8078 121.5555 57.8077 41.9636 179.3252 80 R 4.0238 8.3210 118.2375 59.3165 29.9653 178.5063 81 H 4.2029 8.4078 118.1603 59.5916 29.9049 177.1953 82 C 4.2885 8.3952 118.5137 63.0960 27.9551 175.5197 83 Y 4.2571 8.4622 121.0860 60.6078 38.2704 177.8251 84 A 3.9160 8.4503 122.0643 54.9205 18.4804 179.5659 85 L 3.8841 8.1378 117.3921 57.8525 41.6850 179.5327 86 A 3.9796 7.7489 120.1914 55.1725 18.3492 179.8190 87 K 4.3312 8.1422 118.1152 59.1024 31.8716 179.5033 88 A 4.0561 8.0281 120.0127 54.5114 18.3288 178.8069 89 K 4.4116 7.6420 114.3137 56.4094 32.5535 177.5929 90 G 3.8430 8.3391 108.4800 45.1536 0.0000 172.8842 91 F 5.2881 8.3556 117.9070 55.4055 42.5086 174.2020 92 E 5.2121 9.1544 118.4002 54.2665 33.8676 174.1081 93 L 4.0669 9.1281 123.0927 55.6669 41.8943 176.3525 94 G 4.0372 9.3555 116.5381 47.2988 0.0000 172.9602 95 N 5.2735 7.6236 114.8273 50.9609 41.3290 172.4253 96 L 5.1837 8.8782 121.2854 53.4080 45.8860 174.6133 97 D 5.3020 9.1591 124.4807 52.5693 44.8779 174.1555 98 V 4.8406 8.6605 124.6897 61.3917 35.4696 174.2355 99 T 4.9809 9.2272 123.3200 61.9081 71.7345 172.9286 100 I 4.3413 8.8194 128.9362 60.3624 39.0468 175.1604 101 I 4.8415 8.8944 128.5742 60.0182 38.9304 174.5144 102 A 4.7803 8.5051 128.0410 50.9279 22.3329 177.0420 103 Q 3.9884 9.0277 122.9051 58.7078 29.6493 175.6189 104 A 4.4491 7.3478 117.1414 50.2930 21.6934 173.5654 105 P 4.4954 0.0000 0.0000 61.8953 32.3134 175.7410 106 K 4.1459 8.1379 117.9881 56.0068 33.1782 176.7823 *108 A 4.4004 8.4342 120.5421 52.2567 19.9472 177.1444 109 P 4.3314 0.0000 0.0000 64.6264 31.8092 176.6210 110 H 4.8216 7.7916 113.9742 55.5212 30.3154 176.2733 111 I 3.8229 7.5355 120.8616 64.5329 37.3610 177.3694 112 E 4.1157 8.2576 119.2229 59.6403 29.6083 179.8010 113 D 4.4854 7.6753 115.3108 54.8386 40.3728 178.5381 *115 R 4.2821 8.1007 120.6142 56.4675 32.2558 178.1329 116 Q 3.9781 8.1770 116.8491 58.5901 28.5377 178.7103 117 V 3.5559 7.7605 119.4684 66.1656 31.4903 178.1789 118 L 3.9227 7.8635 117.8724 57.6175 41.4574 179.1639 119 A 3.9140 8.2349 120.7197 54.9061 18.3714 179.6166 120 A 3.8872 7.9739 119.2026 55.6451 18.3921 179.7679 121 D 4.4278 8.1024 115.5759 56.3602 40.9215 177.9396 122 L 3.7264 7.7733 117.5092 52.6619 43.0044 175.7119 123 N 4.0727 7.6825 116.2865 54.7577 37.7289 172.8828 124 A 4.8390 7.9367 118.9874 50.0581 23.0003 176.0245 125 D 4.5749 8.4083 119.8286 53.8541 41.7591 178.5956 126 V 3.5479 8.4326 122.5834 64.3285 31.6181 177.8491 127 A 4.0941 8.0299 122.1861 54.3149 18.4480 177.1677 128 D 4.9290 8.3158 115.3604 53.9022 42.2901 175.8465 129 I 4.9589 7.8684 119.7787 59.4686 40.4855 174.3931 130 N 5.0349 9.1623 125.2448 51.6495 42.1340 172.9738 131 V 4.8616 8.4801 124.9056 61.1055 34.2371 174.4665 132 K 4.9047 8.9783 125.6398 54.6627 36.4244 174.8727 133 A 5.2236 8.3498 121.8481 50.9129 22.4115 175.3690 134 T 4.7550 8.9406 114.4776 60.7491 71.5402 173.3435 135 T 4.8294 8.7024 116.7498 59.7852 71.4194 174.1599 136 T 4.4203 8.1308 108.3489 61.0529 69.1576 174.2859 137 E 3.8528 8.6665 118.5190 58.4007 27.2521 175.4462 138 K 4.1337 8.3337 112.8087 56.8952 30.6727 176.1248 139 L 4.4370 7.7272 119.6430 54.1578 43.2794 178.2426 140 G 4.1913 8.5215 111.6491 44.8308 0.0000 173.9004 141 F 4.4243 8.4349 113.0964 60.1461 37.6918 177.3769 142 T 4.2636 7.1114 110.0958 64.4414 68.6544 176.9419 143 G 3.6651 7.8564 108.2752 47.3034 0.0000 174.9135 144 R 4.4041 8.0281 117.5780 55.1234 30.3612 176.3600 145 K 4.1607 7.9804 117.0841 57.6725 30.4280 176.5547 146 E 4.3497 8.5855 119.8768 58.3403 30.0915 176.9664 147 G 3.9079 7.1934 103.9085 45.3410 0.0000 171.6427 148 I 4.6265 7.5421 118.6470 59.3066 40.9437 174.9408 149 A 5.0797 8.6478 127.2963 50.2075 22.3839 175.5303 150 V 4.7879 8.1799 119.2682 61.2441 35.3782 173.9452 151 E 5.4657 9.2305 126.6768 54.7146 32.4525 174.8910 152 A 5.1715 8.9883 124.1519 50.4468 23.1464 175.3800 153 V 5.1385 8.9114 113.7877 59.6129 35.9627 175.2558 154 V 4.9209 8.6867 121.8975 60.0416 35.3574 173.5672 155 L 5.1241 8.9105 124.7690 53.4319 44.4540 174.8981 156 L 5.4108 9.1638 126.6554 53.0630 44.6146 175.5990 157 S 5.3000 9.2214 116.9884 56.1729 66.6075 173.2270 158 R 3.3509 8.5187 123.0530 56.9560 30.2213 176.1274 159 Q 4.2464 8.3684 127.5595 56.9429 29.8278 173.2843 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 2 K 8.17 4.41 0.00 1.89 1.96 0.00 1.78 0.00 0.00 1.96 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.51 7.81 3 I 8.51 5.10 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.46 1.01 0.00 0.00 4 R 9.28 4.69 0.00 1.50 1.76 0.00 2.86 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 5 I 8.39 4.82 1.88 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 1.30 1.56 0.91 0.00 0.00 6 G 9.04 4.56 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 0.00 0.00 0.00 7 H 8.88 5.59 0.00 3.13 3.15 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 9.03 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 0.00 0.00 0.00 0.00 9 F 8.57 5.39 0.00 3.00 2.94 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 0.00 0.00 0.00 10 D 8.09 4.61 0.00 2.68 2.35 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 11 V 7.74 5.08 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 1.07 0.00 0.00 0.92 0.00 0.00 12 H 8.53 5.05 0.00 2.96 3.17 0.00 5.66 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.38 4.74 0.00 1.96 1.88 0.00 1.51 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.50 7.81 14 F 8.56 4.97 0.00 3.08 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 15 G 8.32 3.37 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 16 E 8.06 4.39 0.00 2.09 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 2.35 2.37 0.00 17 P 0.00 4.62 0.00 2.22 2.08 0.00 3.88 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 18 R 7.60 4.55 0.00 1.98 2.04 0.00 2.98 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 19 P 0.00 4.35 0.00 1.96 2.22 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 20 L 8.66 4.35 0.00 1.83 1.78 0.92 1.02 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 21 I 8.23 4.85 1.84 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 1.33 0.79 0.95 0.00 0.00 22 L 8.67 4.87 0.00 1.58 1.47 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 23 C 10.16 4.09 0.00 3.01 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 24 G 8.84 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 25 V 7.48 4.27 2.19 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 1.05 0.00 0.00 0.97 0.00 0.00 26 E 8.75 4.60 0.00 2.02 1.85 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 2.29 2.31 0.00 27 V 8.40 4.23 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 0.71 0.00 0.00 0.77 0.00 0.00 28 P 0.00 4.46 0.00 2.04 2.02 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 29 Y 8.26 4.70 0.00 2.91 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 30 E 7.45 3.97 0.00 1.84 1.74 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 1.47 1.47 0.00 31 T 7.08 4.61 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 1.19 0.00 0.00 32 G 8.97 4.61 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 33 L 8.36 5.23 0.00 1.49 1.53 0.86 0.43 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 34 V 8.84 3.88 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 0.74 0.00 0.00 1.06 0.00 0.00 35 A 8.15 4.40 1.08 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 0.00 0.00 0.00 36 H 8.89 4.36 0.00 3.27 3.36 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.75 4.47 0.00 4.18 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 38 D 8.24 4.34 0.00 2.77 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 39 G 7.81 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 40 D 8.18 4.71 0.00 2.76 2.46 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 0.00 0.00 0.00 0.00 41 V 7.84 3.72 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 0.61 0.00 0.00 0.86 0.00 0.00 42 V 7.63 3.47 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 1.02 0.00 0.00 0.87 0.00 0.00 43 L 8.09 4.02 0.00 1.71 1.68 0.88 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.27 4.19 0.00 3.38 3.31 0.00 5.64 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 45 A 7.87 3.97 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 46 I 7.75 3.69 1.98 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 1.50 0.76 0.89 0.00 0.00 47 S 8.38 4.18 0.00 4.05 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 48 D 8.41 4.37 0.00 2.92 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 49 A 8.06 4.08 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 50 I 7.72 3.68 2.07 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 1.62 0.74 1.06 0.00 0.00 51 L 8.25 4.20 0.00 1.66 1.69 0.79 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.25 3.63 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 0.00 0.00 0.00 53 A 7.98 5.03 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 *55 A 7.93 4.08 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 56 L 8.42 4.67 0.00 1.59 1.68 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.40 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 58 D 8.20 4.75 0.00 3.07 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 59 I 9.05 3.91 2.06 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 0.57 1.09 0.00 0.00 60 G 8.09 3.53 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 0.00 61 K 7.72 4.00 0.00 1.67 1.93 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.19 1.35 7.81 62 H 7.43 3.98 0.00 1.79 1.75 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.42 4.14 0.00 2.68 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 0.00 0.00 0.00 64 P 0.00 4.48 0.00 2.25 2.16 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.99 0.00 65 D 8.56 4.39 0.00 2.63 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 3.96 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 1.20 0.00 0.00 67 D 8.10 4.71 0.00 2.89 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 68 A 8.71 4.14 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 69 A 8.21 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 7.68 4.52 0.00 3.20 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 71 K 7.69 4.00 0.00 1.66 1.78 0.00 1.91 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.40 7.81 72 G 9.15 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 73 A 7.79 4.04 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 74 D 8.52 4.88 0.00 2.67 2.55 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 75 S 9.09 4.28 0.00 3.88 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 76 R 8.30 3.93 0.00 1.96 2.05 0.00 3.11 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 77 V 7.79 3.57 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 1.04 0.00 0.00 0.95 0.00 0.00 78 L 7.57 3.34 0.00 1.53 0.82 0.52 -0.17 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 79 L 7.81 4.11 0.00 1.74 1.80 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.32 4.02 0.00 1.97 2.02 0.00 3.22 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 81 H 8.41 4.20 0.00 3.41 3.58 0.00 5.61 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 82 C 8.40 4.29 0.00 3.28 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 83 Y 8.46 4.26 0.00 3.02 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 84 A 8.45 3.92 1.42 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 0.00 0.00 85 L 8.14 3.88 0.00 1.91 1.73 0.97 0.80 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 86 A 7.75 3.98 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 87 K 8.14 4.33 0.00 1.74 1.74 0.00 1.56 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.70 1.11 7.81 88 A 8.03 4.06 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 89 K 7.64 4.41 0.00 1.99 2.00 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.58 7.81 90 G 8.34 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 0.00 0.00 0.00 91 F 8.36 5.29 0.00 3.12 2.96 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 92 E 9.15 5.21 0.00 2.11 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 0.00 2.38 2.32 0.00 93 L 9.13 4.07 0.00 1.70 1.69 1.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 94 G 9.36 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 0.00 0.00 0.00 95 N 7.62 5.27 0.00 2.87 2.89 0.00 0.00 5.38 6.67 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 96 L 8.88 5.18 0.00 1.73 1.47 0.97 0.97 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 97 D 9.16 5.30 0.00 2.79 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 98 V 8.66 4.84 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 0.96 0.00 0.00 0.92 0.00 0.00 99 T 9.23 4.98 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 1.22 0.00 0.00 100 I 8.82 4.34 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 1.19 0.64 0.87 0.00 0.00 101 I 8.89 4.84 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.77 0.85 0.00 0.00 102 A 8.51 4.78 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 0.00 103 Q 9.03 3.99 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 104 A 7.35 4.45 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 0.00 105 P 0.00 4.50 0.00 2.17 2.10 0.00 3.49 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.74 0.00 106 K 8.14 4.15 0.00 1.80 1.84 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.46 7.81 *108 A 8.43 4.40 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 0.00 109 P 0.00 4.33 0.00 1.73 2.02 0.00 3.74 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 1.97 2.06 0.00 110 H 7.79 4.82 0.00 3.17 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.54 3.82 1.87 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 1.42 0.73 0.96 0.00 0.00 112 E 8.26 4.12 0.00 1.99 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 2.39 2.27 0.00 113 D 7.68 4.49 0.00 2.95 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 4.28 0.00 2.04 2.00 0.00 3.12 0.00 0.00 3.53 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 116 Q 8.18 3.98 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 117 V 7.76 3.56 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 1.03 0.00 0.00 0.97 0.00 0.00 118 L 7.86 3.92 0.00 1.84 1.63 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.23 3.91 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 0.00 120 A 7.97 3.89 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 0.00 121 D 8.10 4.43 0.00 2.61 2.71 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 0.00 0.00 0.00 0.00 122 L 7.77 3.73 0.00 1.37 0.95 0.73 0.80 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 0.00 123 N 7.68 4.07 0.00 2.87 2.93 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 0.00 124 A 7.94 4.84 1.20 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 0.00 0.00 0.00 125 D 8.41 4.57 0.00 2.72 2.60 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 0.00 126 V 8.43 3.55 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 0.79 0.00 0.00 0.92 0.00 0.00 127 A 8.03 4.09 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 0.00 128 D 8.32 4.93 0.00 2.74 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 0.00 129 I 7.87 4.96 1.96 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 1.07 0.57 0.88 0.00 0.00 130 N 9.16 5.03 0.00 2.80 2.78 0.00 0.00 6.18 7.28 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 0.00 131 V 8.48 4.86 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 0.87 0.00 0.00 0.91 0.00 0.00 132 K 8.98 4.90 0.00 1.81 1.63 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.35 7.81 133 A 8.35 5.22 1.16 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 0.00 0.00 134 T 8.94 4.76 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 1.20 0.00 0.00 135 T 8.70 4.83 4.42 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 1.27 0.00 0.00 136 T 8.13 4.42 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 1.12 0.00 0.00 137 E 8.67 3.85 0.00 2.14 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 2.24 2.40 0.00 138 K 8.33 4.13 0.00 1.94 1.95 0.00 1.66 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.36 7.81 139 L 7.73 4.44 0.00 1.80 1.54 0.91 0.70 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 0.00 140 G 8.52 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 0.00 141 F 8.43 4.42 0.00 3.44 3.35 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 0.00 142 T 7.11 4.26 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 0.88 0.00 0.00 143 G 7.86 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 0.00 0.00 0.00 144 R 8.03 4.40 0.00 1.89 2.04 0.00 3.37 0.00 0.00 3.27 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 145 K 7.98 4.16 0.00 2.01 2.02 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.47 7.81 146 E 8.59 4.35 0.00 2.41 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 0.00 2.42 2.39 0.00 147 G 7.19 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 0.00 148 I 7.54 4.63 1.62 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.47 0.80 0.00 0.00 149 A 8.65 5.08 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 0.00 150 V 8.18 4.79 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 0.92 0.00 0.00 0.83 0.00 0.00 151 E 9.23 5.47 0.00 2.02 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 2.74 2.45 0.00 152 A 8.99 5.17 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 0.00 153 V 8.91 5.14 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 0.81 0.00 0.00 0.96 0.00 0.00 154 V 8.69 4.92 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 0.73 0.00 0.00 0.97 0.00 0.00 155 L 8.91 5.12 0.00 1.79 1.58 1.00 0.66 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 0.00 156 L 9.16 5.41 0.00 1.59 1.72 0.92 0.77 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 0.00 157 S 9.22 5.30 0.00 3.84 3.99 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 0.00 158 R 8.52 3.35 0.00 1.50 1.66 0.00 3.11 0.00 0.00 3.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.02 0.00 159 Q 8.37 4.25 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.32 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.