NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3686 8.1849 120.5784 54.3379 44.4406 176.4965 5 T 4.2815 7.7119 115.6300 60.8271 70.7022 172.1081 6 K 4.5966 8.6813 127.7692 54.9547 33.9960 175.0659 7 V 4.3316 8.0943 128.0419 60.4220 34.3320 174.7150 8 K 4.1715 8.7781 127.2199 57.4206 31.8649 175.7638 9 L 4.5384 8.4560 127.6883 55.7336 43.2509 175.7968 10 C 4.7787 7.3305 110.9571 58.0426 32.4527 172.2825 11 Q 4.5682 8.3019 118.8082 54.7194 29.4228 177.1941 12 L 3.7416 8.6793 125.3098 58.1989 42.1033 178.0023 13 D 4.5967 7.9099 115.2677 53.6159 39.2884 176.3645 14 D 4.6067 8.2720 119.8808 54.9082 41.7171 175.9235 15 L 4.6904 7.0290 118.9590 52.2430 44.3497 173.4648 *17 P 3.8607 0.0000 0.0000 64.1138 32.0996 177.7539 18 F 4.2445 8.6359 119.4398 57.9804 37.7935 175.0145 19 I 4.7220 7.4263 121.8582 59.0645 39.1098 175.7538 20 G 3.2651 8.9296 111.5936 45.3641 0.0000 172.6266 21 A 4.8101 8.2254 124.1205 49.9035 22.3171 175.1800 22 T 4.7556 8.4259 112.8978 61.0005 70.5355 174.4310 23 V 4.4835 8.6869 117.0980 59.8278 36.9744 173.7649 24 L 4.8702 8.1977 121.0541 53.0526 43.9477 176.6219 25 I 3.7991 8.0495 124.3135 59.7824 38.9096 175.5863 26 E 3.5423 9.6670 127.9005 57.3490 26.8171 176.3534 27 G 3.9752 8.2174 105.6281 45.3741 0.0000 173.3946 28 E 4.4739 7.6873 119.6799 54.7216 31.1797 175.0417 29 R 4.3903 8.4202 123.3702 55.9666 31.1407 175.1330 30 V 4.7506 8.8348 126.5626 60.8835 35.0838 174.0403 31 A 4.9372 9.2315 127.4412 50.2062 21.4572 175.1153 32 L 5.0671 9.0251 123.9955 53.6871 44.1066 175.9638 33 F 5.1387 9.4526 122.2913 55.8643 42.4885 173.4804 34 Y 5.0711 8.8520 125.7842 56.8266 40.1660 174.1862 35 I 4.0840 9.0288 129.5209 59.7330 38.2408 175.5038 36 P 3.6811 0.0000 0.0000 65.2540 31.5599 178.5543 37 D 4.9338 7.5359 116.7255 53.6014 41.1295 176.6373 38 S 4.6208 8.0330 112.2979 57.9476 68.9560 172.8103 39 G 3.8938 7.8242 105.8533 43.6572 0.0000 172.1640 40 V 4.9466 7.9105 119.0642 60.1770 34.1815 174.9099 41 Y 4.9351 9.3416 121.5838 56.1577 41.4705 174.5801 42 A 5.3477 8.9016 123.4721 50.6328 21.7771 175.5878 43 V 5.3172 8.7019 115.3944 59.5609 35.6503 175.7327 44 Q 4.9016 8.8065 120.5857 56.8546 28.9232 175.8019 45 D 4.7072 9.4520 120.1733 55.3947 42.7881 175.6180 46 W 4.6651 8.3801 129.0243 57.0255 31.5885 175.0239 47 D 4.3681 8.4960 128.8653 53.0010 40.9466 175.1647 48 P 4.4954 0.0000 0.0000 64.5815 31.8159 176.7688 49 I 4.1430 9.0089 120.1745 62.9837 38.5208 177.3896 50 G 3.7186 8.5146 106.5589 46.1351 0.0000 173.0906 51 K 2.5502 7.2659 118.2614 55.6337 29.4734 174.0213 52 A 3.9854 5.8000 120.1179 51.5167 22.1525 175.9452 53 Y 4.9468 8.4493 118.6102 57.1956 37.2360 176.0124 54 V 4.3889 8.0886 125.7655 59.5841 31.6608 176.6612 *56 S 4.3553 7.8475 119.1524 58.6007 65.1222 176.2140 57 R 4.4962 7.9253 118.5065 56.2179 30.6340 176.7492 58 G 4.4582 7.8487 105.7595 45.5618 0.0000 173.7193 59 I 4.1617 8.4077 124.7507 61.2520 38.2130 175.6867 60 V 4.5340 8.3270 120.1710 60.6138 33.2998 175.1798 61 G 3.9923 8.1132 108.5528 45.8713 0.0000 172.5212 62 D 4.6903 8.5791 119.8265 53.4064 42.1213 176.0997 63 I 4.2968 7.9684 125.6969 60.6634 40.5390 175.1939 64 N 4.0409 9.6821 125.3353 54.3163 35.8506 176.3638 65 G 4.1455 8.2243 107.9816 45.7491 0.0000 173.8030 66 E 4.3078 7.5969 122.7517 55.2864 31.0674 173.9697 *68 C 4.7642 8.2811 111.4018 58.3478 31.9024 172.9514 69 V 4.6581 8.7932 118.2865 59.7669 34.0872 174.2803 70 A 5.2574 8.3063 124.4725 50.0366 21.4614 176.1228 71 S 4.5575 8.8687 117.8213 57.6017 63.5582 172.8163 72 P 4.6365 0.0000 0.0000 63.1983 30.6612 176.6657 73 L 3.9255 7.2095 118.7958 55.1520 42.6278 176.2917 74 Y 4.4969 7.4164 112.6427 57.4633 38.7443 177.5924 75 K 4.1263 8.0856 116.4215 56.2856 30.3504 175.8709 76 Q 4.1051 7.3708 117.8113 56.8578 30.0694 175.3268 77 H 5.4011 8.4038 117.4970 54.2761 31.8379 173.6998 78 F 5.2768 9.3757 120.5207 55.4421 42.9408 174.4576 79 S 4.4470 9.4132 119.0327 58.4713 62.7732 175.2297 80 L 4.0935 8.4572 126.2705 57.2035 42.0152 178.6358 81 K 3.9160 7.8467 119.2698 59.1468 32.4025 177.8058 82 S 4.3062 8.0841 111.9424 58.6428 63.4928 175.3937 83 G 4.0984 8.2756 108.0346 45.8109 0.0000 172.5566 84 Q 4.2796 8.2316 122.3234 56.0388 30.1413 175.0280 85 C 4.3932 8.2329 124.8353 59.2748 32.0971 172.8214 86 L 4.3964 8.2796 122.6977 55.9676 42.5318 177.9400 87 E 3.9804 8.0626 118.5821 57.8790 29.5721 175.8607 88 D 4.6872 7.6095 118.0374 52.0219 43.5040 175.5578 89 E 4.1278 8.8984 125.0091 58.8279 30.3069 178.0927 90 A 4.0909 8.1800 122.5295 55.4761 18.7426 177.6588 91 H 4.7133 7.5983 113.7149 56.1708 29.9451 174.4333 92 C 5.1853 8.6076 120.7220 58.3445 34.9664 172.6936 93 L 4.6828 9.7573 125.2070 53.1335 43.3882 176.3285 94 K 4.3281 9.0287 125.1009 56.7785 33.3603 175.6224 95 T 5.3830 7.8910 114.3265 59.9032 72.1848 172.6209 96 W 4.8964 8.9641 120.9635 54.8419 33.1222 174.9172 97 R 4.5628 8.7267 122.3290 55.6109 31.0917 175.1892 98 V 5.0082 8.4985 125.4516 61.3533 34.9466 174.4567 99 T 4.7388 8.7552 116.2638 59.9610 72.1600 172.8136 100 V 4.3384 8.3745 122.8523 61.9120 33.5155 173.1160 101 D 4.7805 8.5145 120.5087 54.2902 45.3115 178.4371 102 D 4.8669 7.7251 120.8572 54.6144 40.1932 177.6960 103 N 4.9658 7.7608 112.8624 52.5913 37.6695 173.3560 104 Q 4.7456 7.9511 121.6058 55.4999 31.4493 174.3371 105 V 4.3064 8.5019 127.5161 62.8936 33.3703 174.5254 106 C 5.3168 8.6946 122.5102 58.9158 33.4276 172.1671 107 Y 5.5203 8.6130 117.4041 54.3240 41.0748 174.7211 108 L 4.8937 8.7050 119.7845 54.1102 43.3380 176.5700 109 A 4.9621 8.0691 124.4318 52.8200 22.1688 176.8599 110 K 4.5195 8.5040 113.3930 57.7685 34.4090 174.4443 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 4 L 8.18 4.37 0.00 1.54 1.79 0.92 0.55 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 5 T 7.71 4.28 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 1.12 0.00 0.00 6 K 8.68 4.60 0.00 1.69 1.64 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.36 7.81 7 V 8.09 4.33 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 1.00 0.00 0.00 0.56 0.00 0.00 8 K 8.78 4.17 0.00 1.68 1.76 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 9 L 8.46 4.54 0.00 1.75 1.67 0.77 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 10 C 7.33 4.78 0.00 3.10 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 11 Q 8.30 4.57 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 12 L 8.68 3.74 0.00 1.46 1.51 0.17 0.78 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 13 D 7.91 4.60 0.00 2.78 2.70 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 0.00 0.00 0.00 0.00 14 D 8.27 4.61 0.00 2.69 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 15 L 7.03 4.69 0.00 1.66 1.65 0.80 0.89 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 *17 P 0.00 3.86 0.00 1.95 1.17 0.00 3.74 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 1.92 2.00 0.00 18 F 8.64 4.24 0.00 3.26 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 19 I 7.43 4.72 1.95 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 1.36 0.92 0.96 0.00 0.00 20 G 8.93 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 0.00 0.00 0.00 21 A 8.23 4.81 1.09 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 0.00 0.00 22 T 8.43 4.76 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 1.19 0.00 0.00 23 V 8.69 4.48 1.89 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 0.62 0.00 0.00 0.70 0.00 0.00 24 L 8.20 4.87 0.00 1.33 1.41 0.75 0.65 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 25 I 8.05 3.80 0.88 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.06 0.12 0.00 0.00 26 E 9.67 3.54 0.00 2.11 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 2.34 2.35 0.00 27 G 8.22 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 28 E 7.69 4.47 0.00 2.26 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 2.36 2.34 0.00 29 R 8.42 4.39 0.00 1.88 1.88 0.00 2.21 0.00 0.00 2.54 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.34 0.00 30 V 8.83 4.75 1.72 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 0.80 0.00 0.00 -0.46 0.00 0.00 31 A 9.23 4.94 1.31 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 0.00 0.00 0.00 32 L 9.03 5.07 0.00 1.44 1.55 0.84 0.00 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 33 F 9.45 5.14 0.00 3.16 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 34 Y 8.85 5.07 0.00 2.93 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 35 I 9.03 4.08 2.06 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.04 1.07 0.00 0.00 36 P 0.00 3.68 0.00 1.83 1.85 0.00 2.69 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.17 0.00 37 D 7.54 4.93 0.00 2.71 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 38 S 8.03 4.62 0.00 3.91 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 39 G 7.82 3.89 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 0.00 0.00 0.00 40 V 7.91 4.95 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 0.69 0.00 0.00 0.95 0.00 0.00 41 Y 9.34 4.94 0.00 3.10 3.06 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 0.00 0.00 0.00 42 A 8.90 5.35 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 43 V 8.70 5.32 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 0.93 0.00 0.00 1.27 0.00 0.00 44 Q 8.81 4.90 0.00 2.43 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.89 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 45 D 9.45 4.71 0.00 2.86 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 46 W 8.38 4.67 0.00 3.37 3.01 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 47 D 8.50 4.37 0.00 2.51 2.21 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 48 P 0.00 4.50 0.00 2.35 2.29 0.00 3.55 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 49 I 9.01 4.14 2.01 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 0.80 0.49 0.85 0.00 0.00 50 G 8.51 3.72 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 51 K 7.27 2.55 0.00 1.84 1.87 0.00 1.99 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.55 7.81 52 A 5.80 3.99 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 53 Y 8.45 4.95 0.00 3.12 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 0.00 54 V 8.09 4.39 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 0.70 0.00 0.00 0.91 0.00 0.00 *56 S 7.85 4.36 0.00 3.85 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 0.00 57 R 7.93 4.50 0.00 2.04 2.03 0.00 3.34 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 58 G 7.85 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 0.00 0.00 0.00 0.00 59 I 8.41 4.16 1.89 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 1.38 1.14 0.92 0.00 0.00 60 V 8.33 4.53 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 0.32 0.00 0.00 1.10 0.00 0.00 61 G 8.11 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 62 D 8.58 4.69 0.00 2.60 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.97 4.30 1.78 0.00 0.00 0.73 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 0.75 0.81 0.00 0.00 64 N 9.68 4.04 0.00 2.85 2.83 0.00 0.00 7.04 7.59 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 65 G 8.22 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 0.00 0.00 0.00 66 E 7.60 4.31 0.00 2.00 1.77 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 2.19 2.18 0.00 *68 C 8.28 4.76 0.00 3.22 3.03 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 69 V 8.79 4.66 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 0.82 0.00 0.00 0.90 0.00 0.00 70 A 8.31 5.26 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 71 S 8.87 4.56 0.00 4.09 3.87 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 72 P 0.00 4.64 0.00 2.19 2.13 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.07 0.00 73 L 7.21 3.93 0.00 1.47 1.00 0.80 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 7.42 4.50 0.00 3.22 2.93 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 0.00 0.00 0.00 75 K 8.09 4.13 0.00 1.91 1.91 0.00 1.81 0.00 0.00 0.61 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.34 7.81 76 Q 7.37 4.11 0.00 2.07 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 77 H 8.40 5.40 0.00 2.95 3.12 0.00 5.56 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 78 F 9.38 5.28 0.00 2.86 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 79 S 9.41 4.45 0.00 3.84 3.74 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 80 L 8.46 4.09 0.00 1.31 1.48 0.81 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.85 3.92 0.00 1.49 1.73 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.44 7.81 82 S 8.08 4.31 0.00 4.04 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 83 G 8.28 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 0.00 0.00 0.00 84 Q 8.23 4.28 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 85 C 8.23 4.39 0.00 2.73 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 86 L 8.28 4.40 0.00 1.42 1.61 0.95 0.71 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 87 E 8.06 3.98 0.00 1.85 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 0.00 2.25 2.20 0.00 88 D 7.61 4.69 0.00 2.63 2.46 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 0.00 89 E 8.90 4.13 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 2.25 2.29 0.00 90 A 8.18 4.09 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 91 H 7.60 4.71 0.00 3.36 3.40 0.00 5.63 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 92 C 8.61 5.19 0.00 3.16 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 93 L 9.76 4.68 0.00 1.59 1.60 0.69 0.44 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 94 K 9.03 4.33 0.00 1.81 1.72 0.00 1.40 0.00 0.00 1.57 0.00 0.00 2.17 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 0.81 7.81 95 T 7.89 5.38 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 1.36 0.00 0.00 96 W 8.96 4.90 0.00 3.38 3.10 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 97 R 8.73 4.56 0.00 2.03 1.90 0.00 3.27 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 98 V 8.50 5.01 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 0.98 0.00 0.00 1.06 0.00 0.00 99 T 8.76 4.74 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 1.22 0.00 0.00 100 V 8.37 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 0.76 0.00 0.00 0.83 0.00 0.00 101 D 8.51 4.78 0.00 2.67 2.46 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 0.00 102 D 7.73 4.87 0.00 2.60 1.73 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.76 4.97 0.00 2.69 2.91 0.00 0.00 6.76 8.11 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 0.00 104 Q 7.95 4.75 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.07 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 105 V 8.50 4.31 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 0.85 0.00 0.00 0.83 0.00 0.00 106 C 8.69 5.32 0.00 2.89 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 0.00 107 Y 8.61 5.52 0.00 3.20 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 0.00 108 L 8.70 4.89 0.00 1.61 1.63 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.07 4.96 1.14 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 0.00 110 K 8.50 4.52 0.00 1.97 2.16 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.