NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4769 8.1627 120.2663 55.1904 33.9714 173.5205 2 V 4.6564 8.4145 123.1037 60.6244 34.2277 173.0349 3 R 4.7135 9.4255 126.8540 54.2916 33.8263 174.8258 4 G 4.2421 8.8482 110.5420 45.9056 0.0000 172.8320 5 I 4.8453 9.0662 123.0403 59.3508 40.5718 174.8369 6 R 5.0160 9.0051 125.5900 54.8038 32.6820 175.5207 7 G 4.3319 8.7167 108.1447 44.9257 0.0000 171.2624 8 A 5.2039 8.3507 121.4526 50.8099 23.2117 175.3110 9 I 5.0978 8.9110 120.9779 60.0203 42.0596 173.5515 10 T 5.1719 8.4888 116.0092 60.0806 71.5502 173.3220 11 V 4.6245 8.1291 114.5596 59.7721 34.8391 176.1177 12 E 4.2850 8.9252 121.0829 57.6212 30.0245 176.3352 13 E 4.6681 7.5333 114.5830 55.3450 32.0450 175.0954 14 D 4.6323 8.3189 121.1895 53.1050 39.9594 175.6503 15 T 4.6903 7.4738 112.9179 57.8461 73.5115 172.7654 16 P 3.9984 0.0000 0.0000 65.8469 31.3756 178.7952 17 E 3.9086 8.0792 116.4816 59.4169 29.4478 179.1951 18 A 3.9773 7.9206 120.6839 55.1412 18.4072 179.7948 19 I 3.6331 7.8428 118.4131 64.9323 37.1250 178.5053 20 H 4.2847 8.3803 117.4041 58.7342 28.5108 177.6994 21 Q 3.9256 8.1714 121.2767 59.1507 28.8609 178.2400 22 A 4.0142 8.0227 121.8218 55.5366 18.3642 179.8060 23 T 3.8750 8.1646 114.4212 66.5383 68.4825 177.0231 24 R 3.8552 8.2530 120.9589 59.3668 30.1805 178.1842 25 E 3.9231 8.1922 119.1266 59.1114 29.5523 178.4901 26 L 3.9151 8.1151 120.4233 58.1750 42.2115 178.8545 27 L 3.9440 8.1259 119.0419 57.9133 41.5041 179.5643 28 L 4.0130 7.9999 118.8015 57.7043 41.4955 179.5795 29 K 3.9350 8.2033 119.5912 59.6210 31.9717 178.8197 30 M 3.9776 8.2754 119.3562 58.1942 31.8612 178.7631 31 L 3.8353 7.9281 119.0042 57.6482 41.8814 178.9225 32 E 3.8112 8.3574 119.2508 59.4426 29.3697 178.7330 33 A 3.9588 8.1076 120.4795 54.7551 18.4993 177.8377 34 N 4.7131 7.6136 109.2414 52.2232 38.7676 174.9828 35 G 3.9970 7.9315 105.8845 46.2745 0.0000 174.2797 36 I 3.8418 7.3393 120.6138 61.1855 37.5060 176.5233 37 Q 4.1016 9.0283 125.0511 58.1005 29.4346 176.2354 38 S 4.5213 8.3614 111.5599 56.1673 65.4043 174.2546 39 Y 4.5756 7.9959 122.9392 60.2594 37.8494 177.9496 40 E 4.0993 8.1446 119.1803 58.7882 29.7638 177.8135 41 E 4.2652 8.3129 117.6368 57.4152 30.0045 175.9954 42 L 4.9394 7.9274 119.8494 53.3447 42.0875 176.3501 43 A 4.2676 9.0713 127.1649 54.6871 18.9373 176.9096 44 A 4.4859 7.4070 114.1982 51.7609 22.7707 175.5204 45 V 4.5889 8.4520 118.7361 61.3088 35.1924 174.0731 46 I 5.0142 8.5552 128.5513 59.5297 39.9416 174.5389 47 F 5.4892 9.5245 125.3692 55.9031 42.2938 174.4943 48 T 5.8537 9.0169 111.5935 59.1367 72.5685 173.1043 49 V 5.1315 8.1703 114.7677 59.6932 36.4362 175.2863 50 T 4.4034 8.3198 113.2302 61.1552 69.7348 175.1992 51 E 3.9495 8.9388 123.1934 59.2236 29.3572 177.2444 52 D 4.6108 8.0887 116.2562 53.2262 39.7466 175.1990 53 L 5.0329 7.8882 120.4690 53.7377 43.2059 176.2257 54 T 4.5652 9.0710 111.6890 60.8240 70.4047 175.2059 55 S 4.0704 8.5992 117.1646 60.8654 63.3277 173.6576 56 A 4.0953 7.0747 120.9305 51.3823 21.6217 174.9935 57 F 4.7529 8.1127 118.5040 55.9683 40.0933 175.8568 58 P 4.2257 0.0000 0.0000 65.3860 31.2354 178.3797 59 A 2.8694 7.5321 119.0996 54.7132 18.0375 179.0109 60 E 3.7894 7.8891 117.1928 59.1944 29.4689 178.8402 61 A 4.4658 8.3117 122.3314 54.3170 18.3200 179.4018 62 A 3.8592 7.5826 118.9775 55.4535 18.4788 180.0746 63 R 3.6643 7.7873 116.0140 59.4497 30.2424 179.1003 64 Q 4.0974 7.9809 117.9917 58.0770 28.3364 177.8702 65 I 4.3329 7.2010 111.3028 60.6143 37.7674 176.2405 66 G 3.9714 8.0700 107.5175 46.8488 0.0000 173.8568 67 M 4.1865 7.6542 118.1005 55.1626 32.4198 178.5370 68 H 4.1459 8.1676 118.2448 58.9058 29.0026 176.8177 69 R 4.3218 7.8834 114.8934 56.1018 30.4611 176.0512 70 V 4.0384 7.3442 119.3925 60.9002 32.3817 173.6842 71 P 4.4601 0.0000 0.0000 62.7424 32.1004 175.2287 72 L 5.4524 8.5429 123.9381 52.9953 45.1155 175.6681 73 L 4.9158 8.9340 123.1480 53.5292 45.8884 174.9236 74 S 5.5399 8.6855 118.7256 56.9437 66.1673 172.4852 75 A 4.7309 9.0114 122.2183 51.3385 23.3145 174.7658 76 R 4.8809 8.3631 117.7218 54.7417 31.7103 176.7549 77 E 4.2753 8.6708 124.4485 55.4125 30.8607 176.5529 78 V 3.6914 8.8832 125.4816 62.3957 32.0702 175.9286 79 P 4.5120 0.0000 0.0000 62.3956 29.2872 174.8919 80 V 3.8900 7.5180 122.6601 61.7666 31.9354 173.4329 81 P 4.3644 0.0000 0.0000 64.4213 31.5391 177.1492 82 G 3.9477 8.9316 110.4075 45.3089 0.0000 173.6709 83 S 4.3992 7.5209 114.0071 56.8060 64.0327 173.7958 84 L 3.8929 8.4203 122.8069 55.1379 41.9717 175.1111 85 P 4.5524 0.0000 0.0000 62.8958 33.2772 175.7780 86 R 3.8384 8.8305 116.2792 56.3920 27.9782 175.7141 87 V 4.8514 8.1009 117.6896 61.1004 35.0237 174.9998 88 I 4.9240 9.0319 128.3947 59.7110 39.4695 174.7884 89 R 5.0936 9.0907 125.9957 54.3460 33.6669 175.0496 90 V 4.5624 8.7568 121.7362 60.9433 35.4210 174.1245 91 L 5.0083 8.8832 128.7097 53.3578 44.6587 174.6121 92 A 4.8781 8.9105 129.3358 50.5248 21.3415 175.6016 93 L 4.8865 8.7858 122.1365 52.9784 43.9364 175.2809 94 W 5.3060 9.2937 135.0000 55.5905 32.9254 174.5351 95 N 5.0399 9.3736 126.2078 53.6576 38.1842 174.3395 96 T 4.0351 8.1428 117.2476 61.5580 70.5130 172.9468 97 D 4.5332 8.3286 123.1800 54.2349 41.6885 177.3688 98 T 3.7506 7.1506 117.1019 63.0817 68.9738 172.3614 99 P 4.3929 0.0000 0.0000 62.3431 32.2749 176.8676 100 Q 3.9627 8.8671 121.4261 59.5415 28.8922 178.0486 101 D 4.6923 8.0773 113.7113 54.4944 39.6762 176.4764 102 R 4.5050 7.8164 118.0160 55.9665 31.2537 176.3857 103 V 4.0035 7.5585 118.9978 62.5886 32.0756 175.2480 104 R 4.4728 9.4531 126.6383 54.9567 31.0950 175.4716 105 H 4.9539 8.5324 120.2088 54.4875 30.9971 174.7811 106 V 4.3752 8.2525 121.2436 61.3191 34.0157 173.8230 107 Y 4.9928 8.7884 125.0868 56.3852 40.4156 174.9101 108 L 4.8125 8.9889 124.5239 52.2299 45.3720 179.6028 109 R 3.5284 8.6522 119.9201 57.9572 28.9982 179.7241 110 E 4.1406 9.0929 126.0582 58.8510 29.4252 177.1274 111 A 4.3509 8.1765 121.7656 53.0660 18.6863 179.5972 112 V 3.2439 7.5581 109.8375 64.2661 31.7096 178.0059 113 R 4.1133 7.9078 117.3128 57.5138 30.1353 176.4697 114 L 4.2489 8.3369 116.9715 55.6087 42.2612 177.0319 115 R 2.5100 6.7232 119.0892 55.0186 30.2355 174.5604 116 P 4.2118 0.0000 0.0000 63.0897 32.1970 176.7298 *117 D 4.4415 8.4138 117.3043 53.6696 40.4213 175.8360 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 1 M 8.16 4.48 0.00 1.85 2.13 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 2 V 8.41 4.66 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 0.82 0.00 0.00 0.98 0.00 0.00 3 R 9.43 4.71 0.00 1.80 1.86 0.00 3.32 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.68 0.00 4 G 8.85 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 0.00 0.00 0.00 0.00 5 I 9.07 4.85 1.81 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.96 0.85 0.00 0.00 6 R 9.01 5.02 0.00 1.69 1.74 0.00 3.27 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 7 G 8.72 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 0.00 0.00 0.00 0.00 8 A 8.35 5.20 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 9 I 8.91 5.10 1.87 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 1.24 0.97 0.00 0.00 10 T 8.49 5.17 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 1.23 0.00 0.00 11 V 8.13 4.62 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 0.72 0.00 0.00 1.01 0.00 0.00 12 E 8.93 4.28 0.00 1.95 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 2.29 2.29 0.00 13 E 7.53 4.67 0.00 2.01 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 2.17 2.26 0.00 14 D 8.32 4.63 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 15 T 7.47 4.69 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 1.23 0.00 0.00 16 P 0.00 4.00 0.00 2.10 2.03 0.00 3.54 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 2.05 2.28 0.00 17 E 8.08 3.91 0.00 2.02 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 2.39 2.43 0.00 18 A 7.92 3.98 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 19 I 7.84 3.63 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.64 0.90 0.00 0.00 20 H 8.38 4.28 0.00 3.19 3.46 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.17 3.93 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 22 A 8.02 4.01 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 23 T 8.16 3.88 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 1.34 0.00 0.00 24 R 8.25 3.86 0.00 2.01 2.12 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 25 E 8.19 3.92 0.00 2.10 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 2.31 2.32 0.00 26 L 8.12 3.92 0.00 1.85 1.86 0.90 0.63 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 27 L 8.13 3.94 0.00 1.88 1.70 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.00 4.01 0.00 1.85 1.72 0.93 0.64 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 29 K 8.20 3.93 0.00 1.93 1.91 0.00 1.50 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.49 7.81 30 M 8.28 3.98 0.00 1.95 2.14 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.46 0.00 31 L 7.93 3.84 0.00 1.84 1.66 1.14 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.36 3.81 0.00 2.03 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 2.29 2.32 0.00 33 A 8.11 3.96 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 34 N 7.61 4.71 0.00 2.23 2.23 0.00 0.00 7.01 7.53 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 35 G 7.93 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 36 I 7.34 3.84 1.67 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 -0.04 0.83 0.00 0.00 37 Q 9.03 4.10 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 38 S 8.36 4.52 0.00 3.74 3.64 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 39 Y 8.00 4.58 0.00 3.08 2.90 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 40 E 8.14 4.10 0.00 2.02 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 2.40 2.34 0.00 41 E 8.31 4.27 0.00 2.35 2.38 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 2.46 2.50 0.00 42 L 7.93 4.94 0.00 1.78 1.66 0.94 0.77 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 43 A 9.07 4.27 1.33 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 0.00 0.00 0.00 44 A 7.41 4.49 1.21 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 0.00 0.00 45 V 8.45 4.59 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 0.24 0.00 0.00 0.83 0.00 0.00 46 I 8.56 5.01 1.79 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 1.22 0.44 0.92 0.00 0.00 47 F 9.52 5.49 0.00 2.94 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 48 T 9.02 5.85 4.29 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 1.25 0.00 0.00 49 V 8.17 5.13 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 0.88 0.00 0.00 1.03 0.00 0.00 50 T 8.32 4.40 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 1.23 0.00 0.00 51 E 8.94 3.95 0.00 1.95 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 2.29 2.32 0.00 52 D 8.09 4.61 0.00 2.93 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 53 L 7.89 5.03 0.00 1.73 1.59 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 54 T 9.07 4.57 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 1.18 0.00 0.00 55 S 8.60 4.07 0.00 3.93 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 56 A 7.07 4.10 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 57 F 8.11 4.75 0.00 3.07 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 58 P 0.00 4.23 0.00 1.94 2.09 0.00 3.67 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 59 A 7.53 2.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.89 3.79 0.00 2.02 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 2.10 2.08 0.00 61 A 8.31 4.47 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 62 A 7.58 3.86 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 63 R 7.79 3.66 0.00 1.97 1.99 0.00 3.16 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 64 Q 7.98 4.10 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 65 I 7.20 4.33 1.95 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 1.43 0.53 0.92 0.00 0.00 66 G 8.07 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 67 M 7.65 4.19 0.00 1.75 1.81 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.81 0.00 68 H 8.17 4.15 0.00 3.17 3.36 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.88 4.32 0.00 1.85 2.00 0.00 3.26 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 70 V 7.34 4.04 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 0.75 0.00 0.00 0.87 0.00 0.00 71 P 0.00 4.46 0.00 2.12 1.98 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.13 0.00 72 L 8.54 5.45 0.00 1.51 1.74 0.89 1.09 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 73 L 8.93 4.92 0.00 1.75 1.46 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.69 5.54 0.00 3.99 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 75 A 9.01 4.73 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 76 R 8.36 4.88 0.00 1.73 1.88 0.00 3.24 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 77 E 8.67 4.28 0.00 2.01 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 2.34 2.32 0.00 78 V 8.88 3.69 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 0.84 0.00 0.00 0.94 0.00 0.00 79 P 0.00 4.51 0.00 2.22 2.09 0.00 3.82 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 1.99 1.96 0.00 80 V 7.52 3.89 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 1.00 0.00 0.00 0.99 0.00 0.00 81 P 0.00 4.36 0.00 2.08 1.99 0.00 3.76 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 2.03 2.10 0.00 82 G 8.93 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 83 S 7.52 4.40 0.00 4.03 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 84 L 8.42 3.89 0.00 1.62 1.67 0.93 1.02 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 85 P 0.00 4.55 0.00 2.24 2.03 0.00 3.98 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 86 R 8.83 3.84 0.00 2.07 1.96 0.00 3.08 0.00 0.00 3.18 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 87 V 8.10 4.85 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 1.02 0.00 0.00 1.06 0.00 0.00 88 I 9.03 4.92 1.91 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 1.27 0.55 1.02 0.00 0.00 89 R 9.09 5.09 0.00 1.73 1.78 0.00 3.10 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 90 V 8.76 4.56 1.91 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 0.52 0.00 0.00 0.91 0.00 0.00 91 L 8.88 5.01 0.00 1.65 1.40 0.91 1.12 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 92 A 8.91 4.88 1.13 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 0.00 0.00 0.00 93 L 8.79 4.89 0.00 1.62 1.64 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 94 W 9.29 5.31 0.00 3.24 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 95 N 9.37 5.04 0.00 2.78 2.73 0.00 0.00 6.82 7.10 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 96 T 8.14 4.04 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 0.16 0.00 0.00 97 D 8.33 4.53 0.00 2.58 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 98 T 7.15 3.75 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 1.26 0.00 0.00 99 P 0.00 4.39 0.00 2.45 2.16 0.00 3.68 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 2.07 1.94 0.00 100 Q 8.87 3.96 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 7.04 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 101 D 8.08 4.69 0.00 2.85 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 0.00 102 R 7.82 4.50 0.00 1.96 2.02 0.00 3.17 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 103 V 7.56 4.00 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 0.93 0.00 0.00 1.15 0.00 0.00 104 R 9.45 4.47 0.00 1.74 1.83 0.00 3.38 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 105 H 8.53 4.95 0.00 3.28 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.25 4.38 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 0.94 0.00 0.00 0.87 0.00 0.00 107 Y 8.79 4.99 0.00 2.90 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 0.00 108 L 8.99 4.81 0.00 1.55 1.55 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 109 R 8.65 3.53 0.00 2.02 1.25 0.00 3.34 0.00 0.00 3.35 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 110 E 9.09 4.14 0.00 2.02 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 2.41 0.00 111 A 8.18 4.35 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.56 3.24 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 1.05 0.00 0.00 1.04 0.00 0.00 113 R 7.91 4.11 0.00 1.77 1.94 0.00 3.21 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 114 L 8.34 4.25 0.00 1.84 1.73 1.02 -0.11 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 0.00 115 R 6.72 2.51 0.00 1.23 1.55 0.00 3.22 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.39 0.00 116 P 0.00 4.21 0.00 2.04 1.94 0.00 3.59 0.00 0.00 3.27 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 *117 D 8.41 4.44 0.00 2.44 2.48 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.