NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4184 8.3044 120.3548 55.4159 33.5427 176.3571 2 Y 4.4854 8.1497 123.6930 56.2681 36.9876 174.3613 3 R 3.8635 9.0554 125.7087 58.8241 31.1109 177.8462 4 K 3.9589 7.9706 117.7822 59.1565 31.9515 179.5419 5 G 2.7168 6.0899 105.1629 47.4032 0.0000 175.4092 6 A 3.9201 7.5960 123.6697 54.7786 18.2026 179.5339 7 Q 3.8685 8.0483 117.8122 59.2090 29.0802 178.3553 8 A 4.1145 7.8639 121.7053 55.0853 18.3751 179.0782 9 E 3.8661 8.3937 117.9908 59.6146 29.5974 179.2050 10 R 3.8783 8.0523 117.9414 59.2285 30.2484 178.6593 11 E 3.9345 8.0468 118.7934 59.1968 29.6667 178.5387 12 L 3.2906 7.9936 120.4022 57.9564 41.9725 178.8138 13 I 3.5652 7.7387 119.7688 64.5296 36.9943 178.5333 14 K 4.0252 7.8012 118.7815 59.3371 31.6835 179.4321 15 L 3.9967 7.6378 118.8430 57.7661 41.5379 179.5722 16 L 3.9115 7.9473 118.9511 57.8985 41.4684 179.4760 17 E 4.5899 8.5875 120.2977 58.7792 29.1240 179.1944 18 K 3.9222 8.2303 119.3291 59.5394 32.1774 177.3686 19 H 4.7500 7.7496 114.6635 55.5506 28.9846 176.2809 20 G 3.8401 8.2100 108.6879 45.3531 0.0000 174.1050 21 F 4.5477 8.1762 118.8096 56.7148 40.8154 174.4177 22 A 4.9232 9.1500 125.0707 50.5617 20.5777 176.1378 23 V 4.9166 8.4575 122.3721 61.0560 34.5672 174.8727 24 V 4.4881 8.6121 125.8116 61.1850 34.7118 174.1867 25 R 4.8911 8.5201 126.4117 54.8480 31.6854 175.8781 26 S 4.3398 8.7755 119.3000 57.3685 63.9177 173.3954 27 A 4.0507 8.8024 130.4320 53.6748 18.5494 177.5491 28 G 3.8540 9.2589 109.7025 45.5894 0.0000 173.4522 29 S 3.7321 7.7213 112.8697 59.6363 60.4901 175.5594 30 K 4.0416 6.6748 114.7608 57.0096 33.5545 176.3678 31 K 4.2033 7.6554 120.9762 57.4905 33.6347 176.8310 32 V 4.8400 6.3385 116.6639 59.9954 34.8442 175.3202 33 D 4.3785 8.6256 119.2807 56.9055 41.7384 176.6916 34 L 5.1863 8.0768 116.6036 52.9855 46.8342 175.4790 35 V 4.8417 8.5526 120.1963 61.1350 34.8249 174.2081 36 A 5.2578 9.1614 128.6583 50.2574 22.6641 174.9812 37 G 4.5401 9.2986 107.8934 44.4279 0.0000 172.7072 38 N 4.5749 8.2113 117.9267 51.6573 38.0606 175.4603 39 G 4.0037 8.2329 107.7417 45.3620 0.0000 174.1147 40 K 4.3837 8.7734 116.9008 57.3032 34.4483 176.5518 41 K 4.7198 7.8230 116.9435 54.6267 34.7306 174.5138 42 Y 5.0814 8.4859 118.4861 56.3537 41.6698 174.2449 43 L 5.2192 9.3068 124.3222 53.0321 45.5434 175.3316 44 C 5.0585 8.9201 120.2570 58.1960 30.8901 172.9222 45 I 4.9393 8.9048 125.3363 59.3971 40.3228 174.4988 46 E 5.0171 8.8495 125.7031 54.6243 31.7798 174.9480 47 V 4.9006 9.5364 125.6490 61.2627 33.3891 175.0665 48 K 4.9682 9.3066 126.5560 54.6951 36.5627 175.5877 49 V 4.6369 8.1454 121.0286 60.5784 33.8957 174.0650 50 T 4.7738 8.7389 117.9214 60.8622 70.9003 174.0394 51 K 4.3952 8.7138 123.5422 56.9407 33.6953 176.8851 52 K 4.4147 7.9138 119.7810 56.0193 32.8731 176.0583 53 D 4.7824 8.6441 119.0372 53.5567 39.5265 175.3680 54 H 5.8153 7.7958 113.1501 56.1467 31.6254 172.6156 55 L 4.8019 8.5546 120.5248 54.1691 45.4990 173.8972 56 Y 5.0350 9.1010 124.1105 57.2105 39.3563 175.2542 57 V 4.3204 8.5884 123.4208 60.6483 33.9518 175.4056 58 G 3.9028 8.9008 117.2293 46.0137 0.0000 173.4815 59 K 4.0697 8.7227 122.1410 58.8984 32.0392 180.0191 60 R 3.9193 7.9127 118.4600 59.4297 30.2002 178.4837 61 D 4.3982 8.0740 118.1408 57.6320 40.8428 178.6494 62 M 4.2161 8.1468 119.5130 58.1352 31.8082 179.0700 63 G 3.5979 8.3316 106.3920 47.6231 0.0000 175.6864 64 R 3.9154 7.9176 121.2396 59.0677 30.0598 178.3507 65 L 3.9750 7.7435 119.4327 58.3264 42.1686 178.9846 66 I 3.7367 7.8394 119.7225 64.2241 37.0355 178.0086 67 E 3.9395 8.4949 120.3735 59.3722 29.4928 178.6642 68 F 4.0472 8.4124 120.6076 61.4444 39.3181 177.1950 69 S 4.2620 8.5208 114.9471 61.6333 62.3922 176.7414 70 R 3.9871 7.9413 120.5075 59.3626 29.9229 178.2867 71 R 3.9489 7.6572 117.5634 59.3004 30.1578 177.9684 72 F 3.9651 8.0088 120.1231 59.4339 39.6334 175.9672 73 G 3.9585 9.0120 106.3380 45.7490 0.0000 172.8485 74 G 4.5519 7.8616 103.9083 43.7806 0.0000 173.2411 75 I 4.2938 9.0760 122.5555 59.9756 38.6032 173.8409 76 P 4.9255 0.0000 0.0000 62.2996 32.5298 175.2962 77 V 4.8396 8.8677 125.2384 60.7034 34.7918 173.7509 78 L 4.9383 8.9497 130.0177 53.4960 43.8773 174.6861 79 A 5.2103 8.9730 129.5854 50.3930 21.3456 175.1580 80 V 4.5165 8.5042 122.7140 61.0798 34.6839 174.2117 81 K 3.7538 7.9531 128.9684 54.7264 32.8886 176.4183 82 F 4.5814 8.3495 125.6123 57.7335 40.1788 176.3682 *87 W 4.2786 7.5963 118.0880 56.2657 30.1348 174.3766 88 R 4.5811 8.0599 118.9872 54.4586 32.6762 174.6121 89 F 5.3983 8.9970 122.9917 55.7852 41.7141 174.6560 90 I 4.7094 8.8804 125.3534 59.4762 39.3675 175.1836 91 E 4.6471 8.9308 128.0281 55.9219 29.1804 177.3019 92 V 4.1937 8.2693 118.6227 60.9732 32.5344 176.2480 93 S 4.8278 8.4436 116.7853 55.5676 66.0888 173.2815 94 P 4.2287 0.0000 0.0000 64.8729 31.3002 176.8455 95 K 4.5278 7.2127 118.3439 53.9889 33.0498 176.5249 *99 F 4.8350 7.6042 120.9521 56.9062 41.5807 175.2236 100 V 5.3532 8.4181 110.8798 58.9957 33.8115 175.2741 101 F 5.2408 9.1223 120.7641 54.9015 43.4724 173.8015 102 T 4.6447 8.3558 110.5571 58.0084 72.9308 173.0470 103 P 4.2905 0.0000 0.0000 61.9229 29.8813 176.3580 104 S 4.7165 7.3232 111.7513 59.5571 64.3796 177.5529 105 S 4.2842 8.5821 116.9829 59.9737 62.9525 173.0418 106 G 4.7450 7.5535 107.5279 46.1491 0.0000 171.9932 107 V 4.9153 8.7727 114.6509 59.1099 36.3734 175.7653 108 S 4.7667 8.5366 117.0919 58.2343 64.4925 175.1572 109 L 3.7689 8.9130 120.3444 58.2786 41.7783 178.0852 110 E 3.9499 8.3031 118.1227 59.7664 29.2092 179.5563 111 V 3.7812 7.6420 116.6484 65.9265 31.6368 177.5160 112 L 4.0923 7.6962 119.3082 57.5352 41.8625 178.0641 113 L 4.4319 8.5516 117.6153 53.8508 41.8247 178.0489 114 G 4.0134 8.0606 106.4195 46.0345 0.0000 175.0584 115 I 3.6120 7.7172 120.1922 64.9065 37.3347 176.2470 116 Q 3.5801 7.9244 121.8190 56.3752 28.6424 174.5012 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 8.30 4.42 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.60 0.00 2 Y 8.15 4.49 0.00 3.03 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 3 R 9.06 3.86 0.00 1.86 1.94 0.00 3.34 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 1.96 1.68 0.00 4 K 7.97 3.96 0.00 1.79 1.68 0.00 1.55 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.51 7.81 5 G 6.09 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 0.00 0.00 0.00 6 A 7.60 3.92 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 7 Q 8.05 3.87 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 8 A 7.86 4.11 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 9 E 8.39 3.87 0.00 2.04 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 0.00 2.27 2.32 0.00 10 R 8.05 3.88 0.00 2.08 1.97 0.00 3.17 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 11 E 8.05 3.93 0.00 2.11 2.41 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 2.58 2.45 0.00 12 L 7.99 3.29 0.00 0.51 1.42 0.14 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.74 3.57 1.97 0.00 0.00 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 1.44 0.49 0.88 0.00 0.00 14 K 7.80 4.03 0.00 1.91 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.65 7.81 15 L 7.64 4.00 0.00 1.79 1.67 0.80 0.46 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 16 L 7.95 3.91 0.00 1.75 1.57 0.67 0.24 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 17 E 8.59 4.59 0.00 2.16 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 0.00 2.48 2.27 0.00 18 K 8.23 3.92 0.00 1.91 2.08 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.47 7.81 19 H 7.75 4.75 0.00 3.40 3.47 0.00 5.94 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.21 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 21 F 8.18 4.55 0.00 3.05 2.91 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 22 A 9.15 4.92 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 23 V 8.46 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 0.76 0.00 0.00 0.91 0.00 0.00 24 V 8.61 4.49 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 0.94 0.00 0.00 0.97 0.00 0.00 25 R 8.52 4.89 0.00 1.71 1.80 0.00 3.63 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 26 S 8.78 4.34 0.00 3.76 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 27 A 8.80 4.05 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 28 G 9.26 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 29 S 7.72 3.73 0.00 3.99 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 30 K 6.67 4.04 0.00 1.85 1.51 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.49 7.81 31 K 7.66 4.20 0.00 0.79 1.54 0.00 1.97 0.00 0.00 1.78 0.00 0.00 3.18 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.29 1.51 7.81 32 V 6.34 4.84 1.58 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 0.57 0.00 0.00 0.87 0.00 0.00 33 D 8.63 4.38 0.00 2.80 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 34 L 8.08 5.19 0.00 1.44 1.39 0.80 0.50 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 35 V 8.55 4.84 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 0.78 0.00 0.00 0.65 0.00 0.00 36 A 9.16 5.26 1.07 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 0.00 0.00 37 G 9.30 4.54 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 38 N 8.21 4.57 0.00 1.87 1.42 0.00 0.00 7.21 7.21 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 39 G 8.23 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 40 K 8.77 4.38 0.00 1.62 1.75 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.24 7.81 41 K 7.82 4.72 0.00 1.95 1.81 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.46 7.81 42 Y 8.49 5.08 0.00 3.01 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 43 L 9.31 5.22 0.00 1.36 1.39 0.25 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 44 C 8.92 5.06 0.00 2.92 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 45 I 8.90 4.94 1.78 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.94 0.93 0.00 0.00 46 E 8.85 5.02 0.00 1.83 1.80 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 2.17 2.32 0.00 47 V 9.54 4.90 2.13 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 1.01 0.00 0.00 0.91 0.00 0.00 48 K 9.31 4.97 0.00 1.48 1.53 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.39 7.81 49 V 8.15 4.64 1.90 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 0.62 0.00 0.00 0.78 0.00 0.00 50 T 8.74 4.77 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 1.08 0.00 0.00 51 K 8.71 4.40 0.00 1.90 1.90 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.46 7.81 52 K 7.91 4.41 0.00 1.97 1.87 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.51 1.41 7.81 53 D 8.64 4.78 0.00 2.69 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 54 H 7.80 5.82 0.00 3.15 3.26 0.00 5.12 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.55 4.80 0.00 1.87 1.74 0.98 0.74 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 56 Y 9.10 5.04 0.00 2.87 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 57 V 8.59 4.32 2.28 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 0.75 0.00 0.00 1.02 0.00 0.00 58 G 8.90 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 59 K 8.72 4.07 0.00 1.88 1.89 0.00 1.58 0.00 0.00 1.86 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.60 7.81 60 R 7.91 3.92 0.00 1.86 1.98 0.00 3.14 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 61 D 8.07 4.40 0.00 2.96 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 62 M 8.15 4.22 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.86 0.00 63 G 8.33 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 64 R 7.92 3.92 0.00 1.93 2.12 0.00 3.06 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 65 L 7.74 3.97 0.00 1.80 1.80 0.96 1.13 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 66 I 7.84 3.74 1.90 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 1.44 0.89 0.94 0.00 0.00 67 E 8.49 3.94 0.00 2.15 2.26 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 2.36 2.43 0.00 68 F 8.41 4.05 0.00 3.15 3.04 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 69 S 8.52 4.26 0.00 4.15 4.23 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 70 R 7.94 3.99 0.00 1.94 2.11 0.00 3.27 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 71 R 7.66 3.95 0.00 1.80 1.87 0.00 3.28 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 72 F 8.01 3.97 0.00 2.25 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 9.01 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 74 G 7.86 4.55 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 0.00 0.00 0.00 75 I 9.08 4.29 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.99 0.94 0.00 0.00 76 P 0.00 4.93 0.00 2.14 2.26 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.84 0.00 77 V 8.87 4.84 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 1.02 0.00 0.00 0.93 0.00 0.00 78 L 8.95 4.94 0.00 1.63 1.32 0.76 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.97 5.21 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 80 V 8.50 4.52 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 -0.14 0.00 0.00 0.67 0.00 0.00 81 K 7.95 3.75 0.00 0.79 0.83 0.00 0.89 0.00 0.00 1.23 0.00 0.00 2.62 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.81 0.44 7.81 82 F 8.35 4.58 0.00 2.98 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 *87 W 7.60 4.28 0.00 3.00 2.43 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 88 R 8.06 4.58 0.00 1.93 1.91 0.00 3.38 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.02 0.00 89 F 9.00 5.40 0.00 3.13 2.91 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 90 I 8.88 4.71 1.79 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 1.43 0.99 1.12 0.00 0.00 91 E 8.93 4.65 0.00 1.92 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 2.35 2.40 0.00 92 V 8.27 4.19 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 0.65 0.00 0.00 0.98 0.00 0.00 93 S 8.44 4.83 0.00 3.98 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 94 P 0.00 4.23 0.00 2.22 2.25 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 95 K 7.21 4.53 0.00 1.85 1.79 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.38 1.36 7.81 *99 F 7.60 4.83 0.00 2.90 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 0.00 100 V 8.42 5.35 1.84 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 0.08 0.00 0.00 0.70 0.00 0.00 101 F 9.12 5.24 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 0.00 102 T 8.36 4.64 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 1.19 0.00 0.00 103 P 0.00 4.29 0.00 2.01 1.74 0.00 3.31 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 104 S 7.32 4.72 0.00 3.94 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 0.00 105 S 8.58 4.28 0.00 4.07 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 0.00 106 G 7.55 4.74 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 0.00 0.00 0.00 107 V 8.77 4.92 2.17 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 0.88 0.00 0.00 1.09 0.00 0.00 108 S 8.54 4.77 0.00 4.16 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 0.00 109 L 8.91 3.77 0.00 2.07 1.77 0.28 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.30 3.95 0.00 2.14 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 2.47 2.53 0.00 111 V 7.64 3.78 2.29 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 0.84 0.00 0.00 0.98 0.00 0.00 112 L 7.70 4.09 0.00 1.81 1.70 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.55 4.43 0.00 1.67 1.73 0.89 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 0.00 114 G 8.06 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 0.00 115 I 7.72 3.61 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.47 0.95 0.00 0.00 116 Q 7.92 3.58 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.