NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4843 8.1749 117.3742 63.4634 70.1519 172.8848 2 S 4.6426 9.8787 121.8675 54.9668 66.1001 171.6074 3 I 5.2275 8.1966 118.1309 59.6073 41.1138 173.9558 4 M 4.8975 8.7416 119.6234 54.4466 34.9521 173.1748 5 A 5.1593 8.4227 120.6844 50.3100 22.4672 175.6000 6 V 4.4944 8.9892 122.2968 61.1590 34.5352 175.2218 7 T 4.6936 8.7558 118.3480 61.4996 70.0124 173.5106 8 F 4.8683 8.6921 117.1150 55.5055 41.1153 174.6988 9 K 3.7448 8.9776 121.1697 60.0481 31.6069 176.8766 10 D 4.5810 7.6433 114.3778 53.7214 42.9363 176.1586 11 G 4.3462 5.5215 112.9330 44.7264 0.0000 176.1070 12 V 5.1423 8.0572 117.2355 60.5693 33.9923 172.6719 13 I 4.6984 8.7750 121.9727 59.6092 40.8791 174.2597 14 L 5.1764 8.5872 125.5797 53.0659 44.0546 175.9576 15 G 4.3466 9.0151 109.0546 44.9901 0.0000 170.9851 16 A 5.5788 8.3856 119.7109 51.8695 22.0859 175.9840 17 D 4.7527 8.6225 120.0880 52.3448 41.8736 176.2002 18 S 4.8515 8.3801 110.2706 58.1121 64.6318 172.8225 19 R 4.9507 8.6725 121.5614 55.7182 31.2639 175.5826 20 T 4.7424 8.8893 116.5925 60.1028 71.3489 173.0158 21 T 5.1097 8.6699 116.0931 59.9524 71.6830 174.3700 22 T 4.4530 8.8070 112.9248 60.5035 70.0808 174.2883 23 G 4.1969 8.4771 120.5187 46.6814 0.0000 172.5948 24 A 4.4146 8.5830 126.6459 52.1116 19.5183 176.3138 25 Y 4.4594 7.6218 117.9014 56.5117 39.6685 174.7550 26 I 4.1898 7.3194 127.8306 59.7584 36.5495 175.4294 27 A 4.0138 8.1982 130.1591 54.3923 18.6753 177.6234 28 N 4.8327 7.7792 114.5157 52.4465 41.8668 174.6478 29 R 4.5343 8.5920 120.7889 56.3519 30.4771 176.2947 30 V 4.5969 7.8171 112.3732 61.2964 32.3045 176.2802 31 T 3.9946 8.3046 116.6799 64.0201 69.3765 174.2337 32 D 4.8334 8.6193 124.0109 52.9329 42.0238 175.7594 33 K 4.3574 8.7000 125.2099 56.9010 33.7133 176.4941 34 L 4.6324 8.1121 120.9499 54.3973 42.1299 176.2276 35 T 4.5383 9.1149 122.2252 61.5422 71.0367 174.0793 36 R 3.2811 7.9385 126.8477 55.1081 30.5913 176.0808 37 V 4.1429 7.8047 118.0860 61.6469 33.2335 174.8143 38 H 4.6484 7.6567 117.4967 55.1481 32.3262 173.5821 39 D 4.4853 8.2141 122.5872 57.1460 40.8399 180.0017 40 K 5.0154 8.0392 117.3090 56.0990 33.5964 175.8846 41 I 5.0689 8.3612 121.4380 59.9780 40.8376 174.9939 42 W 5.2544 9.5807 127.2829 55.0018 33.1335 174.3601 43 C 5.2580 9.5567 114.5732 57.3798 33.0587 172.6209 44 C 5.3685 8.9387 117.9749 57.4324 30.3929 173.1458 45 R 5.1182 8.6096 121.9859 54.6780 31.9518 175.5583 46 S 4.5007 8.9625 115.8373 57.8000 66.5615 172.6880 47 G 4.2749 8.8893 105.1877 44.1688 0.0000 173.9268 48 S 4.1716 9.4487 118.1897 57.8569 63.0774 175.3710 49 A 4.0672 8.8342 129.8624 55.1519 18.1673 179.1721 50 A 3.9594 7.9326 118.8112 55.3467 18.4584 179.4898 51 D 4.2740 8.3197 117.6730 57.8592 41.0287 179.1872 52 T 3.9519 8.3951 110.6793 64.8679 68.5955 176.5588 53 Q 3.9935 8.2672 120.7012 58.7596 28.8179 178.4457 54 A 4.0173 8.0366 121.8334 55.0569 18.3224 179.8015 55 I 3.5865 8.1644 118.3659 64.4561 37.2616 178.2730 56 A 4.0284 8.5420 121.8516 55.5670 18.2264 179.3096 57 D 4.3523 8.4329 117.5391 57.7045 40.7957 179.3322 58 I 3.7800 7.7344 120.1372 64.1752 37.0735 178.5798 59 V 3.3935 7.9720 119.5622 65.9696 31.1939 177.6590 60 Q 4.1559 8.3055 120.9810 58.7141 28.8255 177.7751 61 Y 4.0413 7.9737 120.3036 61.1687 38.7617 177.9235 62 H 3.8493 8.4059 117.1484 58.8172 28.7108 177.8994 63 L 3.9525 8.3168 121.2367 57.4453 41.3654 179.1997 64 E 3.9028 8.3214 119.7038 59.2411 29.2394 178.6991 65 L 3.8385 7.6587 120.3551 57.8059 41.9620 178.3271 66 Y 3.8724 8.0811 119.9548 60.8602 38.5825 177.8865 67 T 4.4537 7.9448 116.8395 66.4623 68.7177 176.2027 68 S 4.1432 7.6382 115.2764 61.3682 62.8383 176.0870 69 Q 4.0698 6.9466 118.2983 56.5406 29.4192 176.0780 70 Y 4.4584 7.4881 114.7720 57.6735 39.5050 175.1606 *72 G 4.1141 7.5459 108.8825 45.0852 0.0000 172.1752 73 T 4.2142 8.5807 115.0876 63.6992 68.6806 172.4605 74 P 4.6236 0.0000 0.0000 61.7940 32.8695 176.6623 75 S 4.3919 8.1509 115.1247 58.4165 64.8107 175.4842 76 T 3.8977 8.3484 119.6020 66.7301 68.1967 176.5031 77 E 3.9727 8.1000 120.8951 59.6128 29.7481 178.8830 78 T 3.8014 7.8838 115.5645 66.3899 68.4996 176.5898 79 A 3.9216 7.9528 122.4731 55.1591 18.4261 179.5737 80 A 4.1452 8.3374 119.4741 55.2704 18.2800 179.8762 81 S 4.0333 8.0604 111.9559 61.5128 62.5633 176.5726 82 V 3.5188 7.7589 120.9366 65.7965 31.1450 177.9703 83 F 3.9575 8.1247 117.4005 60.3851 38.7458 177.2291 84 K 3.9129 8.3212 119.2195 59.7358 32.0955 177.9107 85 E 3.9973 8.4436 119.5717 59.6392 28.9381 178.9855 86 L 4.0497 7.8846 118.4181 58.0877 41.4761 179.3669 87 C 4.2831 8.3543 116.0327 62.7705 28.3669 175.3332 88 Y 4.2458 8.9273 121.8454 60.8124 38.3444 177.4127 89 E 3.8621 8.1220 119.1526 58.4540 29.5899 177.0421 90 N 5.0432 7.7162 115.3524 52.3609 39.3855 176.6834 91 K 3.7464 7.8247 120.7741 60.0811 32.9168 177.9800 92 D 4.2923 7.9462 119.0591 57.1509 40.9364 177.4420 *94 N 5.1442 7.8723 113.3376 52.5741 40.0638 173.7083 95 L 5.0770 7.4085 116.8149 53.4733 45.4617 176.9359 96 T 4.6903 8.5875 116.9634 61.4979 70.1720 171.3824 97 A 4.9872 8.3500 125.0627 49.9271 22.7510 175.1960 98 G 4.1319 9.4883 110.3593 43.6658 0.0000 172.0453 99 I 5.0251 8.3638 126.4687 59.2152 40.3933 175.1473 100 I 4.2983 8.4218 127.3357 59.6209 39.1763 174.6061 101 V 4.6149 8.2739 127.1710 61.2115 33.0670 174.7906 102 A 4.8171 9.2133 129.1051 50.3379 22.2563 175.0065 103 G 4.6034 8.6763 107.4239 45.3083 0.0000 171.2758 104 Y 4.7108 8.8512 122.6623 55.4405 40.7423 175.2544 105 D 4.3077 7.8371 124.8710 54.2052 41.5250 175.3163 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 T 8.17 4.48 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 1.21 0.00 0.00 2 S 9.88 4.64 0.00 3.71 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 3 I 8.20 5.23 1.87 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 1.40 0.65 0.92 0.00 0.00 4 M 8.74 4.90 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 5 A 8.42 5.16 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 6 V 8.99 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 1.10 0.00 0.00 0.93 0.00 0.00 7 T 8.76 4.69 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 8 F 8.69 4.87 0.00 3.28 3.13 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 9 K 8.98 3.74 0.00 1.81 2.07 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.52 7.81 10 D 7.64 4.58 0.00 2.49 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 11 G 5.52 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 0.00 0.00 0.00 0.00 12 V 8.06 5.14 2.16 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 0.77 0.00 0.00 1.05 0.00 0.00 13 I 8.77 4.70 1.81 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.84 0.82 0.00 0.00 14 L 8.59 5.18 0.00 1.43 1.56 0.93 0.95 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 15 G 9.02 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 0.00 0.00 0.00 0.00 16 A 8.39 5.58 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.62 4.75 0.00 2.68 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 18 S 8.38 4.85 0.00 3.95 4.04 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 19 R 8.67 4.95 0.00 1.80 2.03 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 20 T 8.89 4.74 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 1.21 0.00 0.00 21 T 8.67 5.11 4.47 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 1.17 0.00 0.00 22 T 8.81 4.45 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 1.27 0.00 0.00 23 G 8.48 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.58 4.41 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.62 4.46 0.00 3.05 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 26 I 7.32 4.19 1.56 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 1.24 0.55 0.81 0.00 0.00 27 A 8.20 4.01 1.35 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 28 N 7.78 4.83 0.00 2.54 2.59 0.00 0.00 6.76 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 29 R 8.59 4.53 0.00 1.90 1.94 0.00 3.00 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 30 V 7.82 4.60 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 0.70 0.00 0.00 1.00 0.00 0.00 31 T 8.30 3.99 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 32 D 8.62 4.83 0.00 2.70 2.62 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 0.00 33 K 8.70 4.36 0.00 1.78 1.85 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.48 7.81 34 L 8.11 4.63 0.00 1.90 1.89 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 35 T 9.11 4.54 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 1.20 0.00 0.00 36 R 7.94 3.28 0.00 0.67 1.10 0.00 3.07 0.00 0.00 2.87 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 37 V 7.80 4.14 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 0.98 0.00 0.00 1.11 0.00 0.00 38 H 7.66 4.65 0.00 3.13 3.13 0.00 5.91 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.21 4.49 0.00 2.70 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 40 K 8.04 5.02 0.00 1.86 1.99 0.00 1.80 0.00 0.00 2.07 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.57 7.81 41 I 8.36 5.07 1.99 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 1.34 0.99 1.03 0.00 0.00 42 W 9.58 5.25 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 43 C 9.56 5.26 0.00 2.76 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 44 C 8.94 5.37 0.00 2.86 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 45 R 8.61 5.12 0.00 1.70 1.85 0.00 3.16 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 46 S 8.96 4.50 0.00 3.87 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 47 G 8.89 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 0.00 0.00 0.00 48 S 9.45 4.17 0.00 3.83 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 49 A 8.83 4.07 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.93 3.96 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 51 D 8.32 4.27 0.00 2.87 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 52 T 8.40 3.95 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 53 Q 8.27 3.99 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 54 A 8.04 4.02 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 55 I 8.16 3.59 2.17 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.99 1.03 0.00 0.00 56 A 8.54 4.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.43 4.35 0.00 2.88 2.73 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 58 I 7.73 3.78 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 1.36 0.70 1.00 0.00 0.00 59 V 7.97 3.39 1.71 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 0.62 0.00 0.00 -0.15 0.00 0.00 60 Q 8.31 4.16 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.22 0.00 61 Y 7.97 4.04 0.00 3.10 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.41 3.85 0.00 3.31 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.32 3.95 0.00 1.60 1.58 0.92 0.49 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 64 E 8.32 3.90 0.00 2.04 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 2.24 2.28 0.00 65 L 7.66 3.84 0.00 1.32 1.45 0.79 0.63 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 66 Y 8.08 3.87 0.00 3.27 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 67 T 7.94 4.45 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 1.28 0.00 0.00 68 S 7.64 4.14 0.00 3.86 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 69 Q 6.95 4.07 0.00 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 70 Y 7.49 4.46 0.00 2.26 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.55 4.11 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 0.00 0.00 0.00 73 T 8.58 4.21 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 1.31 0.00 0.00 74 P 0.00 4.62 0.00 1.74 1.23 0.00 3.70 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 75 S 8.15 4.39 0.00 4.04 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 76 T 8.35 3.90 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 1.27 0.00 0.00 77 E 8.10 3.97 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 2.36 2.39 0.00 78 T 7.88 3.80 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 0.75 0.00 0.00 79 A 7.95 3.92 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 A 8.34 4.15 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 81 S 8.06 4.03 0.00 4.03 4.02 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 82 V 7.76 3.52 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 0.79 0.00 0.00 0.87 0.00 0.00 83 F 8.12 3.96 0.00 3.35 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 84 K 8.32 3.91 0.00 1.95 2.05 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.65 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.48 1.60 7.81 85 E 8.44 4.00 0.00 2.30 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 2.32 2.46 0.00 86 L 7.88 4.05 0.00 1.97 1.73 0.84 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.35 4.28 0.00 3.04 3.08 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 88 Y 8.93 4.25 0.00 2.96 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 89 E 8.12 3.86 0.00 2.34 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 2.37 2.34 0.00 90 N 7.72 5.04 0.00 2.98 2.74 0.00 0.00 6.60 7.56 0.00 0.00 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 K 7.82 3.75 0.00 1.85 2.09 0.00 1.46 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.39 1.32 7.81 92 D 7.95 4.29 0.00 2.73 2.73 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 *94 N 7.87 5.14 0.00 2.73 2.87 0.00 0.00 7.05 7.85 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 95 L 7.41 5.08 0.00 1.51 1.54 0.99 0.74 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 96 T 8.59 4.69 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 1.22 0.00 0.00 97 A 8.35 4.99 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 98 G 9.49 4.13 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 0.00 99 I 8.36 5.03 1.67 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.72 0.30 0.00 0.00 100 I 8.42 4.30 1.84 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 1.08 0.78 0.89 0.00 0.00 101 V 8.27 4.61 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 0.88 0.00 0.00 0.51 0.00 0.00 102 A 9.21 4.82 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 0.00 103 G 8.68 4.60 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 0.00 104 Y 8.85 4.71 0.00 2.99 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 0.00 105 D 7.84 4.31 0.00 2.47 2.24 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 * Residues marked with a * may have inaccurate shift predictions.