NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.2819 8.3144 120.1354 55.6450 32.7016 175.1363 9 K 3.7860 8.5935 126.2309 54.8526 32.6651 175.7509 10 T 4.4804 8.5510 117.0149 60.8982 72.3356 174.8321 11 L 3.7605 8.9270 123.7563 58.2706 42.0135 179.1896 12 W 4.4815 8.2163 127.7106 60.4273 30.5498 177.9491 13 E 3.8227 8.0449 118.6305 59.2689 28.7312 179.2342 14 L 4.0407 7.9728 117.9962 56.8431 41.5806 178.9204 15 V 4.2033 7.3950 110.2232 60.3694 31.5490 176.6413 16 G 3.8474 7.3867 106.0936 45.8622 0.0000 174.0578 17 R 2.0000 6.8095 115.0756 55.8567 28.3415 176.6925 18 N 4.8885 6.6680 114.0749 51.2324 42.5836 173.6541 19 K 4.4064 8.8046 127.0901 59.7874 33.0843 179.1550 20 D 4.3531 8.2551 119.8184 57.1331 40.9030 177.8695 21 A 4.0261 9.0254 121.7120 55.4291 18.2684 179.5045 22 L 3.9980 8.1991 118.4749 58.3074 42.2154 179.1319 23 R 3.9569 8.0611 118.5792 59.7178 30.0436 178.3006 24 D 4.5052 8.5529 118.7932 56.9743 40.8457 178.6307 25 F 4.1979 8.3923 121.5295 61.4336 39.2653 177.3322 26 L 4.2434 8.0887 117.3884 57.5128 41.5404 179.1025 27 K 4.3123 8.3244 119.8511 59.7580 31.9803 178.8250 28 E 3.9719 8.2449 117.6307 58.8674 29.5399 178.0275 29 H 4.6693 7.7399 113.8496 54.1146 29.0859 174.6392 30 R 3.9760 7.0591 122.1189 58.2040 30.0681 176.8272 31 G 4.0277 9.3159 113.7739 45.2376 0.0000 173.4197 32 T 4.9974 8.1880 107.4375 59.8204 70.7476 173.2577 33 I 4.8596 7.8713 122.3492 59.3055 40.5971 174.1257 34 L 4.9241 8.9567 128.0147 52.8795 46.0619 174.9180 35 L 5.0767 8.8957 119.5074 53.1794 44.8475 175.9241 36 R 4.9168 9.0230 125.4531 54.7460 32.0537 174.6815 37 D 4.8216 9.1889 127.1616 54.2985 41.7084 175.6774 38 I 4.5923 8.9081 119.7691 60.8421 38.2158 176.2527 39 A 4.9432 8.8883 124.7831 52.2219 19.2568 177.0832 40 S 3.9376 7.7119 112.5189 56.2643 65.8098 174.9608 41 E 3.7691 7.4294 117.0928 58.9225 29.4804 177.8844 42 H 4.8462 7.6180 117.0453 54.2922 29.6210 176.1684 43 K 4.8488 8.2167 126.1620 54.6273 30.3279 176.4864 44 V 3.7024 7.7758 123.3376 62.4549 33.3601 174.3220 45 V 4.8320 7.8198 125.7022 61.4564 33.3581 174.2027 46 Y 4.9318 8.7976 123.6660 56.1002 42.7944 173.8679 47 K 4.8337 8.9386 122.7321 53.8873 34.4874 173.7234 48 P 4.6002 0.0000 0.0000 63.4345 31.9971 175.7826 49 I 4.2936 8.6589 125.7432 60.6168 38.6389 175.0970 50 F 4.6296 8.6232 124.2723 55.1210 41.0302 175.9790 51 K 3.9627 8.8700 123.1404 57.1036 32.5365 179.1232 *52 R 3.9868 8.4210 120.1772 59.2813 29.3315 176.6370 53 Y 4.7659 7.1453 113.5482 56.1010 38.2978 172.6874 54 N 4.7797 8.5045 118.3387 52.2480 38.8981 174.8275 55 G 3.9956 8.8204 112.5545 46.2748 0.0000 172.3582 56 D 5.2117 7.8055 119.0333 51.5812 43.2735 174.7621 57 P 3.6424 0.0000 0.0000 62.8777 32.4924 176.1510 58 D 4.5281 8.3921 122.5429 53.6320 40.7481 175.0695 59 L 5.0756 8.1114 124.0681 52.7771 44.9907 175.7151 60 I 4.4681 8.4909 121.4710 60.0182 39.1253 176.2537 61 E 4.5889 9.0898 125.5664 56.1041 31.1411 176.2634 62 D 4.7851 8.0301 117.1329 52.9030 39.8431 176.5718 63 N 4.8470 7.5052 119.2293 51.4494 39.3693 174.3165 64 S 4.2792 8.2269 118.6578 59.9361 63.6803 175.8994 65 N 4.3046 8.1821 120.5535 56.5696 38.3201 176.7197 66 D 4.2624 8.1765 119.7605 57.0012 40.9529 178.8387 67 V 3.6522 7.6029 119.0208 66.1804 31.4878 178.0359 68 E 4.0106 8.2118 118.3369 59.3955 29.1577 178.7495 69 H 3.9859 8.1576 118.3523 59.2473 29.7801 177.4849 70 W 4.5726 8.0444 120.6395 59.7211 28.8178 178.0721 71 Y 4.4440 8.4084 119.6779 61.1435 38.2880 177.7987 72 D 4.4442 8.8101 120.1942 57.3077 40.8947 177.9020 73 Y 4.0159 8.4406 120.5792 61.2558 38.6992 178.3228 74 H 4.2144 8.4616 116.7229 58.6561 28.9233 177.1663 75 L 3.2161 7.4742 122.1919 58.4510 41.4853 179.1546 76 E 3.9847 8.1455 119.2427 59.6214 29.4196 179.9998 77 R 3.6482 7.2833 120.0065 60.7943 29.5544 180.4309 78 Y 4.8222 7.9099 114.2596 56.8889 40.0668 175.7760 79 W 5.1760 8.2330 119.6552 56.4213 30.1123 174.7708 80 N 4.9878 8.1111 110.9976 53.8429 39.4618 174.1920 81 T 4.7463 7.5736 105.7885 58.4542 73.3611 171.3793 82 P 4.2633 0.0000 0.0000 66.0803 31.3604 178.7354 83 E 4.0030 8.1443 116.3960 59.6371 29.5151 179.3647 84 L 4.3190 8.0179 118.9638 57.7178 41.6951 179.5305 85 K 4.1496 8.7281 120.2475 59.1712 32.0143 178.8235 86 K 4.0433 8.1582 119.9240 59.5228 32.1042 178.4199 87 E 3.9390 8.3327 119.5297 59.2137 29.5828 178.0319 88 F 3.1393 8.6612 121.1442 61.6252 39.2815 176.5603 89 Y 4.2115 8.4215 118.6297 60.7522 38.4257 178.2594 90 K 3.9826 8.2365 118.8385 59.0345 32.1615 179.1443 91 K 3.6877 7.7316 119.2699 59.1847 32.2241 178.2742 92 F 4.6876 7.6490 115.7637 56.2568 39.9561 177.0632 93 G 3.4741 7.9398 106.7139 43.3996 0.0000 171.1718 94 P 4.7170 0.0000 0.0000 61.9377 31.8907 176.6614 95 V 3.2711 7.5039 119.3861 61.9277 31.5299 175.3525 96 D 4.6574 8.4008 122.9497 52.5196 40.6262 176.8491 97 L 4.0982 8.2634 127.0839 56.7593 41.8291 178.2406 98 N 4.5984 8.4902 115.7357 54.3999 38.9492 175.6574 99 Q 3.1454 7.1575 117.2056 54.7358 29.0484 174.3015 100 P 4.5735 0.0000 0.0000 62.7145 32.9488 175.1048 101 I 4.3106 8.6176 121.7055 60.1664 39.1575 174.9835 102 I 4.3967 8.4008 128.1852 59.6754 38.8270 175.0348 103 L 4.4941 8.2303 127.5804 54.5070 42.7185 176.1707 104 A 5.1912 8.7936 124.4141 50.3485 23.3121 174.7872 105 K 5.0583 9.0698 118.2302 54.1344 36.2005 174.5102 106 P 4.6630 0.0000 0.0000 62.7553 31.9168 176.6191 107 L 4.1758 8.2167 119.1282 56.4627 41.9128 176.4127 108 R 4.5136 7.2389 113.2568 54.7667 31.9563 173.9203 109 Q 4.0762 8.5538 119.2669 56.5704 29.6433 174.7593 110 H 5.0826 8.5252 123.5485 54.0876 32.8945 173.9714 111 N 4.3811 8.7509 122.7498 56.1341 38.5688 176.0380 112 R 4.3249 7.7289 115.0564 55.7715 30.3817 177.1558 113 G 3.8640 8.0233 106.6195 44.8055 0.0000 173.9559 114 D 5.0621 8.3831 120.1980 53.5864 41.9193 176.2954 115 L 4.6950 7.7777 120.2766 54.0689 44.9501 175.0956 116 V 4.3744 8.8628 119.1830 59.7064 35.9311 174.0500 117 H 4.8712 7.9980 118.8926 53.9361 30.6100 173.8060 118 L 4.5935 8.3955 123.2097 52.6484 45.1401 175.6347 119 L 4.3289 8.1905 122.7427 53.1523 42.8650 176.1278 120 P 4.1349 0.0000 0.0000 65.6523 31.5518 178.4052 121 Q 4.1022 8.0382 118.4520 58.5096 29.0772 176.5603 122 F 4.8906 8.2233 114.9907 57.1764 40.3535 175.7977 123 V 5.1469 7.8288 112.2429 59.5865 35.6953 174.8067 124 V 4.8925 8.4196 116.1624 58.7523 35.1120 173.6032 125 P 4.7829 0.0000 0.0000 62.7312 32.5657 175.5809 126 V 4.3394 8.7997 121.9486 61.3816 34.2027 173.5805 127 Y 5.1912 8.7480 125.1589 56.4164 40.1023 175.4765 128 N 4.7410 9.3287 120.4618 53.4844 39.7244 174.3094 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 8 K 8.31 4.28 0.00 1.79 1.91 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.47 7.81 9 K 8.59 3.79 0.00 1.80 1.76 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.55 7.81 10 T 8.55 4.48 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 11 L 8.93 3.76 0.00 1.70 1.89 0.42 1.10 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 12 W 8.22 4.48 0.00 3.47 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 13 E 8.04 3.82 0.00 2.15 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 0.00 2.34 2.50 0.00 14 L 7.97 4.04 0.00 1.51 1.59 0.94 0.92 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 15 V 7.39 4.20 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 0.54 0.00 0.00 0.91 0.00 0.00 16 G 7.39 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 17 R 6.81 2.00 0.00 1.45 1.32 0.00 2.94 0.00 0.00 3.03 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.03 0.00 18 N 6.67 4.89 0.00 2.47 2.62 0.00 0.00 7.04 6.46 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 19 K 8.80 4.41 0.00 2.20 2.29 0.00 1.59 0.00 0.00 1.85 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.59 7.81 20 D 8.26 4.35 0.00 2.87 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 21 A 9.03 4.03 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 22 L 8.20 4.00 0.00 2.06 2.04 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.06 3.96 0.00 2.00 2.16 0.00 3.37 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 24 D 8.55 4.51 0.00 3.01 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 25 F 8.39 4.20 0.00 3.34 3.22 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 26 L 8.09 4.24 0.00 1.80 1.85 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.32 4.31 0.00 2.02 2.17 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.52 7.81 28 E 8.24 3.97 0.00 1.98 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 2.31 2.53 0.00 29 H 7.74 4.67 0.00 2.97 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.06 3.98 0.00 1.50 1.62 0.00 2.21 0.00 0.00 2.70 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.00 0.00 31 G 9.32 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.19 5.00 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 1.22 0.00 0.00 33 I 7.87 4.86 1.83 0.00 0.00 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 1.26 0.65 1.04 0.00 0.00 34 L 8.96 4.92 0.00 1.53 1.69 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.90 5.08 0.00 1.62 1.59 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 36 R 9.02 4.92 0.00 1.87 1.83 0.00 3.13 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 37 D 9.19 4.82 0.00 3.03 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 38 I 8.91 4.59 2.06 0.00 0.00 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 1.61 1.20 1.07 0.00 0.00 39 A 8.89 4.94 0.13 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 40 S 7.71 3.94 0.00 3.16 3.65 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 41 E 7.43 3.77 0.00 2.01 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 0.00 2.23 1.91 0.00 42 H 7.62 4.85 0.00 3.06 3.22 0.00 5.68 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.22 4.85 0.00 1.64 1.80 0.00 1.81 0.00 0.00 2.26 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.27 7.81 44 V 7.78 3.70 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 0.00 0.00 0.90 0.00 0.00 45 V 7.82 4.83 1.96 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 0.82 0.00 0.00 0.88 0.00 0.00 46 Y 8.80 4.93 0.00 2.90 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 47 K 8.94 4.83 0.00 1.83 1.70 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.47 7.81 48 P 0.00 4.60 0.00 2.09 1.95 0.00 3.82 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 49 I 8.66 4.29 1.90 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.55 0.85 0.00 0.00 50 F 8.62 4.63 0.00 2.95 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 51 K 8.87 3.96 0.00 1.87 1.74 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.54 7.81 *52 R 8.42 3.99 0.00 1.82 1.90 0.00 3.21 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.27 0.00 53 Y 7.15 4.77 0.00 2.97 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 54 N 8.50 4.78 0.00 2.76 2.94 0.00 0.00 7.03 7.65 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 55 G 8.82 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 56 D 7.81 5.21 0.00 2.74 2.61 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 57 P 0.00 3.64 0.00 1.83 1.54 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 58 D 8.39 4.53 0.00 2.65 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 59 L 8.11 5.08 0.00 1.66 1.50 0.91 0.81 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 60 I 8.49 4.47 1.86 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 1.22 0.64 0.96 0.00 0.00 61 E 9.09 4.59 0.00 1.91 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 2.19 2.22 0.00 62 D 8.03 4.79 0.00 2.75 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 63 N 7.51 4.85 0.00 2.75 2.67 0.00 0.00 6.89 7.62 0.00 0.00 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 S 8.23 4.28 0.00 4.04 4.15 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 65 N 8.18 4.30 0.00 2.94 2.85 0.00 0.00 7.17 8.08 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 66 D 8.18 4.26 0.00 3.00 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 67 V 7.60 3.65 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 0.89 0.00 0.00 0.96 0.00 0.00 68 E 8.21 4.01 0.00 2.06 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 2.26 2.58 0.00 69 H 8.16 3.99 0.00 3.05 2.95 0.00 5.59 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 70 W 8.04 4.57 0.00 3.48 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 71 Y 8.41 4.44 0.00 3.16 3.22 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 72 D 8.81 4.44 0.00 2.86 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 73 Y 8.44 4.02 0.00 2.96 3.42 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 74 H 8.46 4.21 0.00 3.24 3.68 0.00 5.70 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 75 L 7.47 3.22 0.00 0.86 1.55 0.16 0.91 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 76 E 8.15 3.98 0.00 1.78 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 2.27 2.35 0.00 77 R 7.28 3.65 0.00 1.94 1.84 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 78 Y 7.91 4.82 0.00 2.91 2.51 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 79 W 8.23 5.18 0.00 3.08 3.33 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 80 N 8.11 4.99 0.00 2.69 2.70 0.00 0.00 7.04 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.57 4.75 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 82 P 0.00 4.26 0.00 2.20 2.18 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 83 E 8.14 4.00 0.00 2.10 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 2.43 2.50 0.00 84 L 8.02 4.32 0.00 1.88 2.08 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.73 4.15 0.00 1.99 2.10 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.49 7.81 86 K 8.16 4.04 0.00 2.09 2.05 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.53 7.81 87 E 8.33 3.94 0.00 2.25 2.37 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 2.44 2.39 0.00 88 F 8.66 3.14 0.00 2.54 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 89 Y 8.42 4.21 0.00 3.31 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 90 K 8.24 3.98 0.00 1.92 1.81 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.66 7.81 91 K 7.73 3.69 0.00 1.33 1.19 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.30 0.75 7.81 92 F 7.65 4.69 0.00 2.42 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 93 G 7.94 3.47 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 0.00 94 P 0.00 4.72 0.00 2.24 2.31 0.00 3.71 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 95 V 7.50 3.27 0.67 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 0.37 0.00 0.00 0.67 0.00 0.00 96 D 8.40 4.66 0.00 2.84 2.61 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 97 L 8.26 4.10 0.00 1.65 1.67 0.94 1.06 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 98 N 8.49 4.60 0.00 3.04 3.01 0.00 0.00 6.98 7.84 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 99 Q 7.16 3.15 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.96 0.00 0.00 0.00 0.00 0.00 2.05 1.78 0.00 100 P 0.00 4.57 0.00 2.01 2.04 0.00 3.07 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.00 0.00 101 I 8.62 4.31 1.83 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.86 0.00 0.00 102 I 8.40 4.40 1.73 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 1.15 0.55 0.80 0.00 0.00 103 L 8.23 4.49 0.00 1.66 1.43 0.86 0.67 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 0.00 104 A 8.79 5.19 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 0.00 105 K 9.07 5.06 0.00 1.89 1.87 0.00 1.33 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.38 7.81 106 P 0.00 4.66 0.00 2.41 2.00 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.20 0.00 107 L 8.22 4.18 0.00 1.59 1.72 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.24 4.51 0.00 1.85 1.88 0.00 3.09 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 109 Q 8.55 4.08 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 110 H 8.53 5.08 0.00 3.33 3.33 0.00 5.75 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.75 4.38 0.00 2.72 2.87 0.00 0.00 6.96 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 0.00 112 R 7.73 4.32 0.00 1.82 2.00 0.00 3.46 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 113 G 8.02 3.86 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 0.00 0.00 0.00 114 D 8.38 5.06 0.00 2.55 2.67 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 0.00 115 L 7.78 4.70 0.00 1.53 1.46 0.80 0.87 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 0.00 116 V 8.86 4.37 1.63 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 0.54 0.00 0.00 -0.00 0.00 0.00 117 H 8.00 4.87 0.00 1.49 2.63 0.00 5.83 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.40 4.59 0.00 1.36 1.38 0.78 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.19 4.33 0.00 1.02 1.17 0.46 0.97 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 0.00 120 P 0.00 4.13 0.00 1.82 2.16 0.00 3.35 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 1.53 1.92 0.00 121 Q 8.04 4.10 0.00 1.84 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 122 F 8.22 4.89 0.00 2.95 2.63 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 0.00 123 V 7.83 5.15 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 0.86 0.00 0.00 1.04 0.00 0.00 124 V 8.42 4.89 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 0.85 0.00 0.00 1.03 0.00 0.00 125 P 0.00 4.78 0.00 1.37 1.99 0.00 3.75 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 2.10 2.04 0.00 126 V 8.80 4.34 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 0.92 0.00 0.00 0.92 0.00 0.00 127 Y 8.75 5.19 0.00 2.90 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 0.00 128 N 9.33 4.74 0.00 2.58 2.67 0.00 0.00 6.83 7.36 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 * Residues marked with a * may have inaccurate shift predictions.