NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4859 8.1693 120.6425 54.9984 43.1546 175.1149 8 H 4.7736 8.4829 113.6927 53.5457 31.0701 171.5769 9 K 4.3917 9.4231 124.6324 56.4729 33.7038 177.3769 10 E 4.9904 9.3590 123.2419 53.6003 33.5915 173.7759 11 P 4.7832 0.0000 0.0000 63.3965 32.2263 175.1771 12 A 4.9036 8.5004 121.5636 51.4727 22.6300 175.6501 13 T 4.6426 8.5654 116.1562 61.2494 71.7541 173.8097 14 L 4.3169 8.5478 127.7028 55.8759 42.3373 175.9565 15 I 4.2992 8.6757 127.6378 62.5649 38.1476 176.1353 16 K 4.5953 7.5713 118.3169 55.0419 36.3572 175.0273 17 A 4.3660 8.7444 126.7826 52.6468 19.1812 176.4511 18 I 4.4059 8.2116 119.5160 62.3225 38.5716 175.1584 19 D 4.6744 7.3330 116.8677 53.4756 41.6334 175.3179 20 G 4.1562 9.3310 106.4347 48.2061 0.0000 173.6880 21 D 5.1171 8.1480 116.6475 52.5919 41.5524 175.3838 22 T 5.3678 8.2542 109.8847 60.2614 72.0011 173.2526 23 V 4.7337 9.0185 123.5693 59.9695 35.4909 173.8301 24 K 4.9646 9.0309 125.2001 55.2529 33.6506 175.1230 25 L 5.2774 9.2189 127.1603 53.0671 46.3529 175.3506 26 M 4.9608 9.6225 122.6610 54.9199 33.5394 174.1886 27 Y 5.0351 8.9548 127.9421 56.3130 42.1221 175.5766 28 K 3.6180 9.3625 125.0419 57.3940 29.8607 176.0124 29 G 3.9628 8.5501 103.7926 45.5183 0.0000 173.8213 30 Q 4.8691 7.9008 118.3754 52.7013 32.5649 173.3039 31 P 4.8215 0.0000 0.0000 63.6744 32.2594 175.4418 32 M 4.6722 8.8686 121.0170 54.8902 36.5329 173.5041 33 T 4.6577 8.6179 123.2944 63.4774 70.1383 173.2526 34 F 5.0853 9.8004 126.0844 55.6123 41.5177 174.3430 35 R 4.9909 8.8835 124.6300 54.3321 31.7852 175.3528 36 L 4.5003 8.7323 127.6343 54.8729 42.5073 177.3013 37 L 4.1167 8.6365 124.0018 55.7883 42.9071 178.1307 38 L 4.0305 8.9959 120.1455 55.4563 39.2465 173.8859 39 V 5.1041 7.3512 109.9360 59.6830 36.1030 174.9453 40 D 4.9375 9.0778 121.3331 53.2776 44.0657 174.4088 41 T 4.8409 9.0597 117.1549 60.0238 70.8338 172.7526 42 P 4.6384 0.0000 0.0000 63.0419 32.1686 176.1519 43 E 4.0088 8.6388 122.0213 56.7674 30.2357 177.7445 *50 F 4.4929 8.5965 123.4513 58.3998 40.9810 175.6611 51 N 4.5617 8.2734 114.2097 53.4822 37.6466 174.0222 52 E 4.5423 7.8600 119.4364 53.8914 32.1910 175.0645 53 K 3.8102 8.1801 121.5147 57.9928 32.5295 176.3187 54 Y 3.9964 7.6537 121.2267 58.8055 35.8560 171.4637 55 G 3.5116 8.0295 108.2253 47.6088 0.0000 174.3925 56 P 4.2392 0.0000 0.0000 64.9607 31.1460 178.6818 57 E 4.0554 8.0816 116.7715 59.2897 29.5517 178.9949 58 A 4.0454 8.3143 121.0299 55.0905 18.5241 179.8351 59 S 4.2052 8.4180 113.5519 61.8925 62.9276 176.8602 60 A 4.1741 8.2796 123.3940 54.9665 18.0975 179.3707 61 F 4.0014 8.3929 119.1844 61.8057 39.4246 177.5043 62 T 3.8953 8.1101 115.2240 66.4828 68.2239 176.3018 63 K 3.8151 8.1164 121.5151 59.5243 32.1695 178.2636 64 K 3.7566 8.1754 119.8465 59.8186 31.8041 178.2008 65 M 3.8347 7.4879 116.5832 58.8039 32.1302 178.3379 66 V 3.7614 8.0282 112.8263 64.4662 31.5498 178.5689 67 E 4.0429 8.2326 117.3951 59.1242 29.3973 177.7353 68 N 4.5522 7.9201 113.6087 53.5880 39.1877 175.3442 69 A 4.3759 7.2916 121.2600 51.8417 18.9952 178.0220 70 K 4.1059 8.8780 122.6428 58.2618 32.6000 177.5155 71 K 4.5528 8.7546 120.5787 54.5780 35.2131 175.0513 72 I 4.9384 8.3992 128.0510 59.7256 39.5281 174.5487 73 E 5.2084 9.1537 125.6220 54.5901 33.6994 175.2795 74 V 4.7157 9.1382 115.5656 59.5622 35.7109 174.7944 75 E 4.8018 8.6423 123.7681 54.5947 32.3222 174.7331 76 F 4.6093 8.8636 125.8366 57.5341 40.1432 175.8327 77 D 4.9605 8.5141 121.0691 53.6197 43.0380 175.8663 78 K 4.4219 8.6581 116.6928 56.9327 33.1485 177.2410 79 G 4.1397 7.8413 109.8559 44.1111 0.0000 172.8610 80 Q 3.9040 8.6503 120.4846 57.1410 29.5241 178.8238 81 R 4.4363 8.5261 122.7275 57.4069 31.0908 176.3160 82 T 4.9733 7.4301 113.2458 61.5354 72.3459 173.5075 83 D 4.8990 9.1720 125.2681 51.0461 41.2682 177.1909 84 K 3.7949 8.1492 117.3090 59.7739 32.3789 177.1312 85 Y 4.4835 7.9560 115.8500 57.6158 37.7616 176.3370 86 G 3.9008 8.0720 107.9002 45.5481 0.0000 173.9861 87 R 4.2719 7.9193 119.4411 55.2298 31.6728 176.1462 88 G 3.3524 8.7073 112.0601 46.1645 0.0000 172.6094 89 L 5.2203 9.1054 125.9150 53.2869 42.1651 175.5860 90 A 4.7686 8.4180 124.0382 49.9167 23.6005 174.4446 91 E 4.4862 8.8419 119.2366 56.0273 31.0278 176.0132 92 I 4.7394 8.2071 124.6284 59.7079 39.8849 174.1631 93 Y 5.1539 9.0096 124.0559 56.0856 41.2507 174.7536 94 A 4.8902 9.0698 125.2379 49.9887 21.4561 175.9393 95 D 4.5447 9.9451 124.6767 56.3437 38.9237 175.7905 96 G 3.9476 8.5430 106.0449 45.1619 0.0000 173.6123 97 K 4.4922 7.5951 120.0260 54.8304 33.6450 175.4644 98 M 4.0843 8.5807 123.8451 55.1610 33.2834 177.0572 99 V 3.6788 8.6349 127.2581 65.8927 31.2562 177.8550 100 N 4.2847 7.8549 115.9769 56.3676 38.5093 176.8423 101 E 3.9926 8.0716 119.9535 58.9116 29.6683 178.3038 102 A 4.0884 7.9366 120.6320 55.2643 18.5257 179.5639 103 L 3.4897 7.8162 117.0147 57.8391 41.7201 179.9503 104 V 3.9262 7.3176 118.2205 65.6064 31.2732 178.1038 105 R 4.1675 8.0320 117.0408 58.7174 29.9639 177.4053 106 Q 4.4179 7.5124 115.6822 54.5838 29.4040 175.5646 107 G 3.9370 8.0409 108.6839 46.8944 0.0000 175.1044 108 L 4.4868 8.1254 119.0756 54.1796 42.7811 176.7963 109 A 4.8987 7.6038 120.3120 49.9576 22.8968 174.9725 110 K 4.7658 8.6293 120.2010 54.8259 34.3658 176.5574 111 V 4.2183 9.0291 124.6339 63.3411 31.9199 174.9474 112 A 4.1054 9.1147 127.0962 51.6314 23.2774 175.0024 113 Y 3.1506 7.7184 113.6896 59.0290 34.9423 172.7187 114 V 3.9578 7.2979 118.9640 62.1392 31.0753 174.0626 115 Y 4.7995 8.1677 125.2321 55.3358 40.0945 175.8949 116 K 3.9009 8.5749 121.9695 58.8495 33.1500 175.7666 117 G 4.4292 9.2696 114.2796 45.9957 0.0000 175.1804 118 N 5.2006 7.4525 115.2276 53.1315 39.2246 175.2690 119 N 5.0844 8.0281 113.1290 52.9101 38.0970 176.5353 120 T 3.8075 8.4849 117.2013 67.9551 68.6515 175.2451 121 H 4.7906 8.1308 116.0410 55.7929 29.2966 176.4805 122 E 3.9438 8.0822 122.5328 59.8867 29.2939 179.1646 123 Q 3.9895 8.0340 117.3341 58.6447 28.7585 178.2116 124 L 3.9603 7.9156 121.0066 58.2769 42.2405 178.9743 125 L 4.0495 8.1951 118.9781 57.7560 41.5340 179.7112 126 R 3.8867 8.2169 118.1976 58.9412 30.0004 178.6452 127 K 3.7612 8.1852 119.3213 59.8458 32.1777 178.4918 128 A 4.0126 7.8096 120.2305 55.0193 18.0880 179.3514 129 E 3.8212 8.0681 117.5549 59.3358 29.8066 178.5590 130 A 3.7177 7.8385 120.8166 55.4467 18.3880 179.5978 131 Q 3.8762 7.9428 115.9788 59.1080 28.7067 179.0291 132 A 4.0141 7.9909 121.7321 54.8547 18.3333 179.6934 133 K 3.4184 7.7562 118.3524 59.4275 31.9842 179.1949 134 K 3.8847 8.0131 117.7983 59.4358 32.0897 178.4115 135 E 4.1862 7.9480 115.3035 55.5501 30.2573 176.5715 136 K 3.9400 7.8616 118.1209 57.2237 30.5129 175.3622 137 L 4.3710 8.3398 118.4299 55.3510 44.5182 177.9425 138 N 3.5978 8.9095 120.1693 53.9136 38.3021 176.2807 139 I 3.1421 5.4200 124.9611 64.9088 37.0935 176.4332 140 W 4.7097 7.7191 117.6516 57.1534 29.4482 176.5565 141 S 4.3814 8.1889 119.2169 58.4814 62.6237 173.9469 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 7 L 8.17 4.49 0.00 1.91 1.84 1.17 0.91 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 8 H 8.48 4.77 0.00 3.32 3.22 0.00 5.53 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.42 4.39 0.00 1.56 1.72 0.00 1.33 0.00 0.00 1.14 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.17 1.25 7.81 10 E 9.36 4.99 0.00 2.12 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 2.33 2.43 0.00 11 P 0.00 4.78 0.00 2.10 2.07 0.00 3.87 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 2.02 1.99 0.00 12 A 8.50 4.90 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 13 T 8.57 4.64 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 14 L 8.55 4.32 0.00 1.63 1.57 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.68 4.30 2.05 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 1.26 0.76 0.93 0.00 0.00 16 K 7.57 4.60 0.00 1.67 1.64 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.42 7.81 17 A 8.74 4.37 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 18 I 8.21 4.41 1.98 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 1.47 0.73 0.90 0.00 0.00 19 D 7.33 4.67 0.00 2.92 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 9.33 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 0.00 0.00 0.00 0.00 21 D 8.15 5.12 0.00 2.91 2.86 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 22 T 8.25 5.37 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 1.21 0.00 0.00 23 V 9.02 4.73 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 0.76 0.00 0.00 0.97 0.00 0.00 24 K 9.03 4.96 0.00 1.89 1.90 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.47 7.81 25 L 9.22 5.28 0.00 1.70 1.63 0.38 0.55 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 26 M 9.62 4.96 0.00 2.03 2.00 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 2.65 2.52 0.00 27 Y 8.95 5.04 0.00 3.29 3.09 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 28 K 9.36 3.62 0.00 1.44 1.64 0.00 1.28 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.09 0.64 7.81 29 G 8.55 3.96 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 0.00 0.00 0.00 30 Q 7.90 4.87 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 31 P 0.00 4.82 0.00 2.11 2.10 0.00 3.84 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 2.02 2.00 0.00 32 M 8.87 4.67 0.00 2.36 2.02 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 1.88 0.00 33 T 8.62 4.66 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 1.22 0.00 0.00 34 F 9.80 5.09 0.00 3.02 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 35 R 8.88 4.99 0.00 1.90 1.78 0.00 3.35 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 36 L 8.73 4.50 0.00 1.55 1.61 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.64 4.12 0.00 1.64 1.64 1.05 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 38 L 9.00 4.03 0.00 1.94 1.88 1.06 1.12 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 39 V 7.35 5.10 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 0.78 0.00 0.00 0.97 0.00 0.00 40 D 9.08 4.94 0.00 2.96 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 41 T 9.06 4.84 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 1.24 0.00 0.00 42 P 0.00 4.64 0.00 2.03 2.08 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 43 E 8.64 4.01 0.00 1.88 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 2.35 2.43 0.00 *50 F 8.60 4.49 0.00 3.01 3.14 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 51 N 8.27 4.56 0.00 2.88 3.00 0.00 0.00 5.88 7.66 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 52 E 7.86 4.54 0.00 2.06 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 2.21 2.19 0.00 53 K 8.18 3.81 0.00 1.50 1.57 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.78 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.75 0.54 7.81 54 Y 7.65 4.00 0.00 3.16 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 55 G 8.03 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.24 0.00 2.00 1.91 0.00 3.32 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.85 0.00 57 E 8.08 4.06 0.00 2.30 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 2.51 2.49 0.00 58 A 8.31 4.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.42 4.21 0.00 4.35 4.10 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 60 A 8.28 4.17 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 61 F 8.39 4.00 0.00 3.33 3.20 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 62 T 8.11 3.90 4.46 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 1.25 0.00 0.00 63 K 8.12 3.82 0.00 1.94 2.07 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.45 1.58 7.81 64 K 8.18 3.76 0.00 1.78 1.96 0.00 1.55 0.00 0.00 1.47 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.18 1.34 7.81 65 M 7.49 3.83 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 66 V 8.03 3.76 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 0.88 0.00 0.00 1.01 0.00 0.00 67 E 8.23 4.04 0.00 2.04 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 2.34 2.37 0.00 68 N 7.92 4.55 0.00 2.82 2.82 0.00 0.00 7.01 7.37 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 69 A 7.29 4.38 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.88 4.11 0.00 1.92 1.87 0.00 1.53 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.41 7.81 71 K 8.75 4.55 0.00 1.76 1.76 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.38 7.81 72 I 8.40 4.94 2.01 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 1.33 0.72 0.83 0.00 0.00 73 E 9.15 5.21 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 74 V 9.14 4.72 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 -0.05 0.00 0.00 0.75 0.00 0.00 75 E 8.64 4.80 0.00 2.16 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 2.40 2.35 0.00 76 F 8.86 4.61 0.00 3.01 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 77 D 8.51 4.96 0.00 2.73 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 78 K 8.66 4.42 0.00 1.95 1.87 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.44 7.81 79 G 7.84 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 80 Q 8.65 3.90 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.73 0.00 0.00 0.00 0.00 0.00 2.50 2.33 0.00 81 R 8.53 4.44 0.00 1.70 1.45 0.00 2.75 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 82 T 7.43 4.97 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 83 D 9.17 4.90 0.00 2.71 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 84 K 8.15 3.79 0.00 1.57 1.69 0.00 0.84 0.00 0.00 1.34 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.45 0.21 7.81 85 Y 7.96 4.48 0.00 3.11 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.07 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 87 R 7.92 4.27 0.00 2.08 1.81 0.00 3.13 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 88 G 8.71 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 0.00 0.00 0.00 89 L 9.11 5.22 0.00 1.58 1.71 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.42 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.84 4.49 0.00 1.89 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 2.06 2.18 0.00 92 I 8.21 4.74 1.73 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.82 0.77 0.00 0.00 93 Y 9.01 5.15 0.00 2.77 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 94 A 9.07 4.89 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 95 D 9.95 4.54 0.00 2.80 2.74 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 0.00 0.00 0.00 96 G 8.54 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.60 4.49 0.00 1.84 1.78 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.52 7.81 98 M 8.58 4.08 0.00 1.93 1.80 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 2.22 0.00 99 V 8.63 3.68 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 1.03 0.00 0.00 0.91 0.00 0.00 100 N 7.85 4.28 0.00 2.76 2.81 0.00 0.00 6.80 7.66 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 0.00 101 E 8.07 3.99 0.00 2.02 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 2.39 2.39 0.00 102 A 7.94 4.09 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 0.00 0.00 0.00 0.00 0.00 103 L 7.82 3.49 0.00 1.71 1.63 1.10 0.64 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 0.00 104 V 7.32 3.93 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 1.40 0.00 0.00 0.98 0.00 0.00 105 R 8.03 4.17 0.00 1.92 2.16 0.00 3.46 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 106 Q 7.51 4.42 0.00 1.54 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.40 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 107 G 8.04 3.94 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 0.00 0.00 0.00 108 L 8.13 4.49 0.00 1.27 1.55 0.38 0.62 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 0.00 109 A 7.60 4.90 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 0.00 110 K 8.63 4.77 0.00 1.73 1.79 0.00 1.56 0.00 0.00 1.54 0.00 0.00 2.17 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.25 1.11 7.81 111 V 9.03 4.22 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 0.79 0.00 0.00 0.97 0.00 0.00 112 A 9.11 4.11 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 0.00 113 Y 7.72 3.15 0.00 3.23 3.19 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 0.00 114 V 7.30 3.96 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 0.83 0.00 0.00 0.91 0.00 0.00 115 Y 8.17 4.80 0.00 3.07 2.86 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 0.00 116 K 8.57 3.90 0.00 1.91 1.90 0.00 1.62 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.51 7.81 117 G 9.27 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 7.45 5.20 0.00 2.89 2.95 0.00 0.00 6.95 7.88 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 0.00 119 N 8.03 5.08 0.00 2.86 3.15 0.00 0.00 6.12 7.22 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 0.00 120 T 8.48 3.81 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 1.12 0.00 0.00 121 H 8.13 4.79 0.00 3.20 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.08 3.94 0.00 2.17 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 0.00 2.32 2.38 0.00 123 Q 8.03 3.99 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 124 L 7.92 3.96 0.00 1.80 1.94 0.96 0.77 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 0.00 125 L 8.20 4.05 0.00 1.92 1.72 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.22 3.89 0.00 1.97 1.95 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 127 K 8.19 3.76 0.00 1.96 1.99 0.00 1.50 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.51 7.81 128 A 7.81 4.01 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 0.00 129 E 8.07 3.82 0.00 2.21 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 1.98 2.51 0.00 130 A 7.84 3.72 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.94 3.88 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 132 A 7.99 4.01 1.54 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 0.00 0.00 133 K 7.76 3.42 0.00 0.83 1.49 0.00 1.16 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.07 1.00 7.81 134 K 8.01 3.88 0.00 1.70 1.81 0.00 1.55 0.00 0.00 1.59 0.00 0.00 3.28 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.41 1.47 7.81 135 E 7.95 4.19 0.00 2.03 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 2.33 2.38 0.00 136 K 7.86 3.94 0.00 1.88 1.88 0.00 1.75 0.00 0.00 2.01 0.00 0.00 3.02 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.52 1.55 7.81 137 L 8.34 4.37 0.00 1.77 1.72 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 138 N 8.91 3.60 0.00 2.56 1.42 0.00 0.00 7.11 7.42 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 0.00 139 I 5.42 3.14 1.43 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.15 -0.64 0.00 0.00 140 W 7.72 4.71 0.00 3.28 3.15 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 0.00 141 S 8.19 4.38 0.00 3.98 4.10 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 * Residues marked with a * may have inaccurate shift predictions.