NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.0555 8.1844 120.6160 54.7253 43.8225 177.4710 4 D 4.3554 7.6266 120.4997 52.5603 40.3764 174.7839 5 I 3.8404 8.2344 128.9554 64.8689 37.8365 178.1518 6 Q 4.0514 8.0399 121.0344 60.0993 28.0446 180.1419 7 R 4.1468 8.1994 120.4848 59.1681 30.0780 178.9076 8 G 3.3541 8.1701 105.4090 47.5138 0.0000 175.5005 9 A 3.1560 7.8294 123.6048 54.9019 18.2842 179.8389 10 T 3.7581 7.7509 114.1548 66.6980 68.4958 176.6935 11 L 3.8692 7.8132 122.1833 57.9640 42.0991 178.6261 12 F 3.9392 8.3212 121.0317 61.4465 39.0736 176.8022 13 N 4.3994 8.3717 115.4302 56.1899 38.4167 177.0455 14 R 4.1100 7.6648 115.8311 57.8956 30.0951 177.6804 15 A 4.4011 7.8154 119.2585 52.4421 20.0723 177.2804 16 C 4.2859 7.7742 112.1423 60.3212 30.9561 176.3716 17 A 3.7933 7.4697 121.7494 54.8174 18.2747 179.1757 18 A 4.0168 7.8929 117.8591 55.3543 18.8087 178.3376 19 C 4.2281 7.9696 112.7777 61.7568 29.4707 174.0171 20 H 5.2188 8.0060 116.2200 53.6048 28.4136 174.5070 21 D 4.6312 8.0863 119.5411 54.3052 39.9412 177.0752 22 T 3.4980 9.8144 115.5079 62.4405 67.8405 173.0401 23 G 2.0000 7.4680 108.6568 45.4696 0.0000 174.5245 24 G 3.8266 7.4288 112.7038 45.4542 0.0000 173.7406 25 N 4.8219 8.3000 120.7476 53.1330 39.8275 175.7379 26 I 3.9020 8.6662 120.6228 62.2827 38.3997 177.1390 27 I 4.0343 7.4168 121.9591 62.6420 38.0366 175.6020 28 Q 4.3342 8.4752 123.1159 52.9792 29.7674 172.0891 29 P 4.3962 0.0000 0.0000 64.0027 31.8697 177.4403 30 G 3.9769 9.1375 109.5858 45.3477 0.0000 173.2909 31 A 4.7802 7.4054 121.8924 51.5938 19.2008 175.7878 32 T 4.5278 7.9844 112.2206 61.8870 70.8149 174.7333 33 L 4.5733 8.2815 120.2195 54.8725 41.8168 177.8627 34 F 4.5977 8.0297 119.0635 57.2629 40.8045 176.2187 35 T 3.9365 8.8696 118.8055 66.9647 68.3380 176.4085 36 K 3.8812 8.2536 120.6479 59.9393 32.1665 178.3339 37 D 4.4283 8.1520 118.3703 57.1555 40.8497 178.4278 38 L 4.0548 8.2449 119.7155 57.9245 41.6701 179.4847 39 E 3.9655 8.6505 118.6738 59.5775 29.2589 179.4071 40 R 3.9625 7.8734 117.1577 59.1644 30.1762 177.2667 41 N 4.8182 8.1672 113.5231 52.6605 38.7292 175.6064 42 G 3.9946 8.0340 108.3433 46.2993 0.0000 174.4605 43 V 4.5578 8.1399 110.8609 60.9750 33.1882 175.3317 44 D 4.8146 8.1992 117.5479 54.4498 41.2903 176.3137 45 T 4.7734 7.4162 107.6334 58.8349 73.5582 172.9234 46 E 3.9938 8.8679 123.0917 59.7275 29.6480 179.1680 47 E 4.0490 8.1574 117.0269 59.4945 29.7020 178.8649 48 E 4.0951 8.3131 119.4989 59.0915 29.5879 179.2082 49 I 3.7895 8.2390 120.3312 64.5109 37.1111 177.7094 50 Y 4.0418 8.5247 120.7404 60.7398 38.5475 178.2034 51 R 4.2247 8.3044 119.7516 59.6837 30.2029 178.9266 52 V 3.7916 8.2055 119.0037 65.1145 31.3158 178.4858 53 T 3.9594 8.1940 116.5340 66.4370 68.1783 176.1124 54 Y 3.5416 8.2792 121.6614 60.3816 38.6892 177.3150 55 F 4.6802 8.5335 116.0854 56.2933 40.1162 176.9386 56 G 3.9713 9.4410 105.7471 45.0612 0.0000 172.4410 57 K 4.1518 9.1140 115.0178 57.3892 37.2755 175.9936 58 G 3.5402 9.0673 111.8630 46.6285 0.0000 175.0592 59 R 4.2707 9.1143 124.2185 56.2664 31.4076 175.5048 60 M 4.4135 8.2179 120.5866 53.1717 33.1029 173.7398 61 P 4.6920 0.0000 0.0000 62.4289 32.5039 176.2296 62 G 3.7986 8.4169 109.5428 45.3142 0.0000 174.3509 63 F 4.4189 8.7481 118.9443 56.5894 40.7426 176.4137 64 G 2.2252 7.2136 110.9983 44.3291 0.0000 174.6271 65 E 3.7983 8.3978 121.4582 59.0236 29.5443 178.4362 66 K 4.4951 8.0498 115.1539 56.0536 32.2609 175.8764 67 C 4.4339 7.4097 119.7941 57.4424 43.9159 172.8577 68 T 4.5986 8.0663 118.5313 60.3256 69.8469 171.0966 69 P 4.5796 0.0000 0.0000 61.7293 32.8455 176.9906 70 R 3.7104 8.8159 118.5438 59.6172 29.6945 178.4182 71 G 3.7084 7.9789 104.0027 47.4292 0.0000 173.5056 72 Q 4.2505 8.1530 120.3488 56.1694 29.5116 173.9861 73 C 5.1785 7.2381 113.4884 55.1500 43.4105 173.5470 74 T 3.5433 7.6978 116.3058 62.9484 66.9823 174.1537 75 F 4.4258 8.4992 125.3778 58.2807 39.6320 176.1981 76 G 4.0096 7.6788 110.2659 43.5982 0.0000 171.5633 77 P 4.3789 0.0000 0.0000 62.5324 31.8555 176.4043 78 R 4.2477 8.2601 119.5877 56.4318 30.8581 175.9042 79 L 4.7066 8.4136 121.5832 53.6478 43.4515 176.9624 80 Q 4.2066 9.1844 121.1719 55.7456 29.7623 176.9854 81 D 4.6170 9.1085 121.5147 58.0966 40.8953 179.1719 82 E 4.0097 8.2211 118.9386 59.2337 29.6030 178.5988 83 E 3.9928 8.1298 118.2945 59.4987 29.5792 179.1940 84 I 3.6282 7.8934 119.8862 63.9706 37.0128 178.4497 85 K 4.2410 8.6761 120.9993 59.5021 32.0162 178.5611 86 L 3.9971 8.0906 120.5819 58.2440 41.9613 178.9336 87 L 4.1110 8.3035 118.8761 57.8572 41.5723 179.4296 88 A 4.1573 8.4559 120.9177 55.1893 18.3463 179.5526 89 E 3.9663 8.5249 117.2404 59.4318 29.4846 179.3318 90 F 4.1031 8.5777 120.9263 61.3008 39.4854 177.2907 91 V 3.3764 8.3438 118.2532 65.8306 31.3411 177.8334 92 K 3.8783 8.1646 119.3396 59.3372 32.0198 178.4404 93 F 3.9876 8.1185 120.8047 61.4303 39.2298 177.1297 94 Q 2.8245 7.4973 117.6170 58.2742 28.0964 178.6193 95 A 3.7469 7.5160 122.0351 55.2624 18.2101 179.3937 96 D 4.2325 7.6440 116.1557 57.3262 40.9514 178.3690 97 Q 4.0431 7.1829 116.0645 55.7618 28.8867 176.7108 98 G 3.8326 7.4094 108.1200 45.2959 0.0000 174.0446 99 W 3.1426 7.6050 116.5285 56.2161 26.4681 173.1375 100 P 4.3511 0.0000 0.0000 63.1194 31.8908 176.5661 101 T 4.5719 8.3186 113.9776 60.4186 71.4776 175.0782 *102 V 3.9054 8.2324 118.8891 61.2179 32.3498 175.8800 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 L 8.18 4.06 0.00 1.61 1.73 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 4 D 7.63 4.36 0.00 2.76 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 5 I 8.23 3.84 1.85 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.46 1.06 0.00 0.00 6 Q 8.04 4.05 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.36 1.98 0.00 7 R 8.20 4.15 0.00 2.01 2.02 0.00 3.04 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 8 G 8.17 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 9 A 7.83 3.16 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 10 T 7.75 3.76 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 1.18 0.00 0.00 11 L 7.81 3.87 0.00 1.77 1.70 0.84 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.32 3.94 0.00 3.01 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 13 N 8.37 4.40 0.00 2.89 2.90 0.00 0.00 7.09 7.91 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 14 R 7.66 4.11 0.00 1.87 2.01 0.00 3.01 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.56 0.00 15 A 7.82 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 7.77 4.29 0.00 1.35 2.36 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 17 A 7.47 3.79 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 18 A 7.89 4.02 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 19 C 7.97 4.23 0.00 2.82 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 20 H 8.01 5.22 0.00 3.24 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.09 4.63 0.00 2.83 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 22 T 9.81 3.50 4.30 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 1.28 0.00 0.00 23 G 7.47 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 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.43 3.83 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 0.00 25 N 8.30 4.82 0.00 2.85 2.82 0.00 0.00 6.71 7.82 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 26 I 8.67 3.90 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 1.40 0.68 0.98 0.00 0.00 27 I 7.42 4.03 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 1.15 0.85 0.91 0.00 0.00 28 Q 8.48 4.33 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 29 P 0.00 4.40 0.00 2.08 1.99 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 30 G 9.14 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.41 4.78 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 32 T 7.98 4.53 4.58 0.00 0.00 0.00 0.00 0.00 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 33 L 8.28 4.57 0.00 1.29 1.91 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.03 4.60 0.00 3.11 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 35 T 8.87 3.94 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 36 K 8.25 3.88 0.00 1.85 1.86 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.56 7.81 37 D 8.15 4.43 0.00 2.96 2.83 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 38 L 8.24 4.05 0.00 1.89 1.79 1.04 1.09 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 39 E 8.65 3.97 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 40 R 7.87 3.96 0.00 1.99 1.99 0.00 3.26 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 41 N 8.17 4.82 0.00 2.85 2.87 0.00 0.00 7.10 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 42 G 8.03 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 0.00 0.00 0.00 43 V 8.14 4.56 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 0.88 0.00 0.00 1.05 0.00 0.00 44 D 8.20 4.81 0.00 2.64 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.42 4.77 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 1.24 0.00 0.00 46 E 8.87 3.99 0.00 2.06 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 2.47 2.38 0.00 47 E 8.16 4.05 0.00 2.24 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 0.00 2.39 2.43 0.00 48 E 8.31 4.10 0.00 2.22 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 0.00 2.38 2.54 0.00 49 I 8.24 3.79 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.16 1.03 0.00 0.00 50 Y 8.52 4.04 0.00 3.23 3.16 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 51 R 8.30 4.22 0.00 2.26 2.21 0.00 3.57 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 52 V 8.21 3.79 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 1.03 0.00 0.00 53 T 8.19 3.96 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 1.12 0.00 0.00 54 Y 8.28 3.54 0.00 2.79 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 55 F 8.53 4.68 0.00 3.18 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 56 G 9.44 3.97 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 0.00 0.00 0.00 57 K 9.11 4.15 0.00 1.82 1.66 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.32 7.81 58 G 9.07 3.54 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 0.00 59 R 9.11 4.27 0.00 1.82 1.98 0.00 3.21 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 60 M 8.22 4.41 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.57 0.00 61 P 0.00 4.69 0.00 1.56 1.72 0.00 3.59 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 1.81 1.96 0.00 62 G 8.42 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 63 F 8.75 4.42 0.00 2.97 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 64 G 7.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.40 3.80 0.00 2.00 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 2.42 2.31 0.00 66 K 8.05 4.50 0.00 2.03 1.98 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.50 7.81 67 C 7.41 4.43 0.00 2.76 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 68 T 8.07 4.60 4.30 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 1.31 0.00 0.00 69 P 0.00 4.58 0.00 2.26 2.18 0.00 4.03 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 70 R 8.82 3.71 0.00 1.86 2.02 0.00 3.23 0.00 0.00 3.45 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.57 0.00 71 G 7.98 3.71 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 0.00 0.00 0.00 72 Q 8.15 4.25 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.61 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 73 C 7.24 5.18 0.00 2.66 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 74 T 7.70 3.54 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 0.98 0.00 0.00 75 F 8.50 4.43 0.00 3.08 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 76 G 7.68 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.38 0.00 2.18 2.07 0.00 3.54 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 78 R 8.26 4.25 0.00 1.77 1.92 0.00 3.34 0.00 0.00 3.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 79 L 8.41 4.71 0.00 1.45 1.52 0.60 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 9.18 4.21 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 81 D 9.11 4.62 0.00 2.88 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 82 E 8.22 4.01 0.00 2.07 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 2.40 2.43 0.00 83 E 8.13 3.99 0.00 2.19 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 2.38 2.40 0.00 84 I 7.89 3.63 1.62 0.00 0.00 0.58 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 0.71 0.19 0.00 0.00 85 K 8.68 4.24 0.00 2.10 2.10 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.51 7.81 86 L 8.09 4.00 0.00 1.83 1.86 0.98 0.43 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 87 L 8.30 4.11 0.00 1.90 1.80 0.81 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.46 4.16 1.64 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 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.52 3.97 0.00 2.25 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 2.36 2.51 0.00 90 F 8.58 4.10 0.00 3.17 3.25 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 91 V 8.34 3.38 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 1.13 0.00 0.00 1.32 0.00 0.00 92 K 8.16 3.88 0.00 2.01 1.94 0.00 1.56 0.00 0.00 1.59 0.00 0.00 3.14 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.49 7.81 93 F 8.12 3.99 0.00 3.05 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 94 Q 7.50 2.82 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 95 A 7.52 3.75 1.43 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 96 D 7.64 4.23 0.00 2.57 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 7.18 4.04 0.00 1.53 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.21 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 98 G 7.41 3.83 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 0.00 99 W 7.61 3.14 0.00 3.25 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.35 0.00 2.00 1.97 0.00 3.31 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 1.86 1.95 0.00 101 T 8.32 4.57 4.30 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 1.36 0.00 0.00 *102 V 8.23 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.