NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.8520 8.1833 123.0965 58.1039 41.3357 173.2386 4 I 4.3289 7.4167 125.9444 58.6906 39.3604 172.7750 5 Y 4.7311 9.6311 130.2710 55.8674 41.3323 174.0840 6 R 4.5759 7.7183 125.2611 54.6990 32.2952 175.4906 7 R 4.0642 7.5748 120.9152 55.1425 34.0271 173.1351 8 R 4.8613 7.9285 124.0114 54.0037 32.6133 175.5534 9 V 3.9616 8.8205 126.9782 63.4138 32.6182 175.5359 10 Q 4.7926 9.9957 127.9394 54.7405 30.2435 176.7900 11 F 3.7617 9.0458 122.7264 61.4454 39.4764 176.4597 12 Y 4.4638 7.8740 115.5138 58.2649 38.2521 175.7229 13 E 4.1390 7.5969 120.5065 57.0411 30.0028 176.1301 14 T 4.7411 7.1428 109.2814 59.9892 71.0092 172.4926 15 D 4.9019 8.2216 120.0887 51.1253 42.2318 176.1321 16 A 4.1862 8.5140 120.7381 54.7937 18.2417 178.1159 17 Q 4.0863 8.5809 115.9430 56.1217 29.2410 176.4240 18 G 3.9651 8.5740 105.2605 46.5603 0.0000 172.9609 19 I 4.9886 7.3146 111.8737 58.2144 41.7446 174.5206 20 V 4.1706 8.2783 123.4210 63.0173 31.9357 175.3323 21 H 4.4185 8.9922 128.6849 56.3457 30.3117 175.9301 22 H 4.2585 8.6753 121.5115 58.8537 27.6802 177.8645 23 S 4.5055 7.7497 116.2935 61.2543 62.8268 175.9808 24 N 4.1959 8.2684 120.3357 55.9470 38.0158 176.7555 25 Y 3.1027 7.5482 118.4363 60.7225 37.9658 178.6209 26 F 3.8708 7.3176 116.8085 59.8180 38.9326 177.8270 27 R 4.0093 7.7346 118.5566 59.0291 29.9045 178.3598 28 Y 4.4759 7.0124 116.0928 61.1201 37.8950 178.3794 29 F 4.3178 7.8414 119.0481 60.6072 38.9496 177.3067 30 E 3.9465 8.1571 118.5808 59.2153 29.4104 178.7659 31 E 3.8344 8.2479 118.4427 59.2146 29.5613 178.9727 32 A 3.5358 7.9053 120.8795 55.2574 18.4562 179.8846 33 R 3.7441 8.1646 116.5761 59.2154 30.1691 179.4875 34 G 3.6440 8.0190 105.4773 47.9946 0.0000 175.5604 35 E 4.1403 8.1011 120.7748 58.4891 29.0523 179.1943 36 F 2.4690 7.8226 120.9552 60.6978 39.4218 177.2339 37 L 3.5689 7.7990 118.5906 57.5341 41.3364 179.3442 38 R 3.8604 7.7598 118.7138 59.5458 29.8134 178.7477 39 S 4.1561 7.8807 112.4122 60.7252 63.0000 175.5360 40 K 4.2190 7.0852 119.4297 55.6251 32.0287 177.3939 41 G 3.8392 8.1320 110.0123 46.5122 0.0000 175.0406 *42 F 4.8052 7.7415 115.3114 54.0191 38.7220 177.5048 43 P 4.5013 0.0000 0.0000 63.1254 32.2996 177.4322 44 Y 4.3920 8.6913 120.7690 60.1103 37.6467 178.5123 45 S 4.0729 7.9930 115.8443 61.8040 62.8962 176.5993 46 K 5.0391 7.8235 124.2487 58.8623 32.3054 178.3337 47 M 4.0061 7.4433 118.9735 58.5956 31.9012 178.4897 48 R 4.3314 7.3392 118.1079 58.9741 30.1896 178.6718 49 D 4.4438 7.7397 117.4389 57.5036 40.5984 178.2080 50 M 4.1105 8.3481 117.1693 56.1572 32.5923 177.2463 51 G 3.9496 8.5560 108.5274 44.5931 0.0000 172.9429 52 L 4.6212 7.8932 123.2648 55.0950 42.7398 176.3972 53 E 4.8552 9.0964 122.8405 54.2120 32.7977 171.8725 54 V 4.2464 9.2235 128.8250 63.4656 32.1783 176.2234 55 V 4.5910 9.2391 127.5383 59.6419 34.7741 170.7475 56 L 4.7169 8.3947 124.7679 54.2748 42.7748 175.8119 57 L 4.5374 9.1198 127.4636 56.4922 42.6385 176.2841 58 N 5.0681 7.7569 113.4250 52.1497 40.8368 172.4512 59 A 5.2987 8.2580 119.2942 51.3070 22.4276 175.0226 60 Y 5.0499 9.2062 120.4145 56.5131 42.9635 173.5194 61 C 4.5745 7.6896 124.4366 57.7082 35.0023 172.2084 62 E 4.2455 8.7268 127.3499 54.4968 31.5891 173.8891 63 Y 4.2181 8.5879 127.0355 57.3678 38.5637 175.7144 64 K 4.4631 8.7884 130.3626 56.8517 33.7669 174.1776 *65 K 4.7446 8.2499 122.0768 52.5358 35.6802 177.1786 66 P 4.3124 0.0000 0.0000 62.2424 32.4862 175.3916 67 L 4.3257 8.0755 123.1084 53.3082 45.0337 175.7938 68 F 5.2444 9.5836 125.6170 55.2965 41.3778 174.4936 69 Y 4.4537 8.5682 122.8423 59.6303 38.6994 176.2152 70 D 4.3370 8.5885 124.6230 54.1207 41.2147 173.6736 71 D 4.5689 7.9558 118.5376 55.4349 42.0193 175.3121 72 V 4.7277 8.2737 122.1888 61.4923 33.4285 174.5440 73 F 5.2113 8.3054 121.5810 55.9296 41.9793 172.4294 74 E 5.0865 9.4478 115.9791 54.7497 33.3623 174.6451 75 V 4.9005 9.2082 122.4455 61.9587 33.8021 174.2763 76 H 5.2959 9.9513 127.1040 54.7785 29.6896 174.0402 77 L 4.9695 8.6807 128.8142 54.5386 43.5299 175.9403 78 N 5.0069 8.6501 124.9931 52.4877 42.5821 173.5676 79 L 4.5522 8.3714 123.8787 55.1532 43.0817 177.7600 *86 T 4.4821 8.1704 108.3852 62.0079 69.9672 172.0213 87 F 5.1505 8.3835 119.2623 54.8329 41.4039 173.5385 88 T 4.9364 8.4789 111.4863 59.9356 71.5761 173.1139 89 F 4.9599 9.2887 124.2776 56.5226 42.1742 175.3377 90 S 5.1407 8.9238 120.7701 57.3595 65.3136 171.9408 91 Y 5.2938 8.8025 119.2253 56.2446 42.4656 174.4974 92 I 4.8195 8.7072 123.0608 59.6041 41.5965 174.2567 93 V 4.7606 8.6574 127.7545 61.5774 33.1676 174.3703 94 F 5.4826 9.3613 127.1367 55.6207 42.1843 174.7560 95 K 4.7185 8.8555 123.5877 54.6013 34.8444 175.9425 96 E 3.6317 9.6216 129.0679 57.8474 26.8020 175.2825 97 D 4.3757 8.4129 113.9304 54.7654 38.9944 173.8841 98 I 4.4338 7.5837 120.9331 59.1470 38.7942 174.8852 99 A 4.1201 8.6989 128.2343 52.5410 18.1505 177.2784 100 V 4.2071 8.4567 116.3711 62.0644 33.3224 175.9675 101 A 4.5780 7.0283 119.5424 51.1487 22.2443 175.2704 102 K 4.9545 8.1163 118.6093 54.8383 36.5710 175.5789 103 A 4.8515 8.9306 126.8937 52.3050 23.5187 174.9205 104 N 5.8971 8.9470 113.4825 53.6972 42.5967 170.6493 105 T 5.3053 8.6731 111.7710 59.4438 72.8559 172.5126 106 K 4.8912 9.0098 123.2066 55.1468 35.1403 175.0736 107 H 5.2671 8.3567 120.7130 54.5356 33.8486 171.4543 108 C 5.1787 8.6566 112.6721 58.3049 33.2945 172.6758 109 M 5.1647 8.8493 120.7626 54.4379 35.0384 176.1933 110 V 4.9620 8.2263 121.8895 60.6009 35.6975 177.6771 111 K 4.8693 8.9299 126.2708 54.5947 33.0832 175.6491 *115 I 4.0747 7.5132 115.0609 61.1538 36.4881 180.3102 116 V 4.6554 8.6035 122.5335 58.8517 35.7652 176.4606 117 S 4.4540 8.5555 119.8789 58.5634 63.3583 173.2702 118 I 3.9821 8.1824 119.9773 60.9671 37.2213 174.2521 119 P 3.8704 0.0000 0.0000 66.0667 30.9670 178.6892 *122 V 4.1932 8.4756 121.2684 63.3289 34.0458 176.5116 123 L 3.6972 8.6932 123.8109 58.6652 41.7265 178.3872 124 E 4.4661 7.9349 110.0639 55.9748 30.1262 178.4495 125 V 3.9226 7.8442 111.1648 63.1844 32.1330 176.3517 126 L 4.5096 7.6788 124.7271 54.9720 41.6323 176.4218 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 3 F 8.18 4.85 0.00 3.37 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 4 I 7.42 4.33 1.59 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.71 0.75 0.00 0.00 5 Y 9.63 4.73 0.00 3.27 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 6 R 7.72 4.58 0.00 1.40 1.49 0.00 3.15 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.38 0.00 7 R 7.57 4.06 0.00 0.87 0.66 0.00 2.98 0.00 0.00 3.01 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.81 0.00 8 R 7.93 4.86 0.00 1.68 1.66 0.00 3.24 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.71 0.00 9 V 8.82 3.96 2.39 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 0.98 0.00 0.00 1.07 0.00 0.00 10 Q 10.00 4.79 0.00 1.64 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 11 F 9.05 3.76 0.00 2.65 2.96 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 12 Y 7.87 4.46 0.00 3.17 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 4.14 0.00 2.10 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 2.04 1.47 0.00 14 T 7.14 4.74 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 1.13 0.00 0.00 15 D 8.22 4.90 0.00 2.88 2.80 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 16 A 8.51 4.19 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 17 Q 8.58 4.09 0.00 1.99 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.24 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 18 G 8.57 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 19 I 7.31 4.99 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.81 1.07 0.00 0.00 20 V 8.28 4.17 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 0.54 0.00 0.00 0.91 0.00 0.00 21 H 8.99 4.42 0.00 3.27 3.11 0.00 5.85 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.68 4.26 0.00 2.79 2.74 0.00 5.51 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 23 S 7.75 4.51 0.00 4.13 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 24 N 8.27 4.20 0.00 2.57 2.18 0.00 0.00 6.85 7.00 0.00 0.00 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 7.55 3.10 0.00 2.49 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 0.00 0.00 0.00 26 F 7.32 3.87 0.00 3.21 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 27 R 7.73 4.01 0.00 1.72 1.90 0.00 3.23 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 28 Y 7.01 4.48 0.00 2.82 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 29 F 7.84 4.32 0.00 2.87 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 0.00 0.00 0.00 30 E 8.16 3.95 0.00 2.20 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 0.00 2.28 2.30 0.00 31 E 8.25 3.83 0.00 2.14 1.75 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 2.39 2.73 0.00 32 A 7.91 3.54 1.56 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 0.00 0.00 33 R 8.16 3.74 0.00 1.92 1.81 0.00 2.88 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.85 0.00 34 G 8.02 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 0.00 0.00 0.00 35 E 8.10 4.14 0.00 2.27 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 2.46 2.75 0.00 36 F 7.82 2.47 0.00 2.38 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 37 L 7.80 3.57 0.00 1.71 1.87 1.06 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.76 3.86 0.00 2.06 2.07 0.00 3.14 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 39 S 7.88 4.16 0.00 4.18 4.22 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 40 K 7.09 4.22 0.00 1.56 1.64 0.00 1.66 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.91 1.14 7.81 41 G 8.13 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 *42 F 7.74 4.81 0.00 2.27 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 0.00 0.00 0.00 43 P 0.00 4.50 0.00 2.22 2.22 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 44 Y 8.69 4.39 0.00 3.01 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 45 S 7.99 4.07 0.00 4.00 4.08 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 46 K 7.82 5.04 0.00 1.98 2.09 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.37 7.81 47 M 7.44 4.01 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 48 R 7.34 4.33 0.00 1.77 1.87 0.00 2.28 0.00 0.00 2.93 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.19 0.00 49 D 7.74 4.44 0.00 2.91 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 50 M 8.35 4.11 0.00 1.95 2.20 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.47 0.00 51 G 8.56 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 52 L 7.89 4.62 0.00 1.65 1.68 0.93 0.94 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 53 E 9.10 4.86 0.00 1.62 1.81 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 2.12 2.08 0.00 54 V 9.22 4.25 2.19 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 1.07 0.00 0.00 1.29 0.00 0.00 55 V 9.24 4.59 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 0.66 0.00 0.00 0.93 0.00 0.00 56 L 8.39 4.72 0.00 1.62 1.56 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 57 L 9.12 4.54 0.00 1.55 1.65 0.88 0.77 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 58 N 7.76 5.07 0.00 2.72 2.86 0.00 0.00 5.81 7.81 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 59 A 8.26 5.30 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 60 Y 9.21 5.05 0.00 3.12 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 61 C 7.69 4.57 0.00 2.56 2.32 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 62 E 8.73 4.25 0.00 1.95 1.70 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 2.13 2.25 0.00 63 Y 8.59 4.22 0.00 2.74 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 64 K 8.79 4.46 0.00 1.53 1.70 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.27 0.99 7.81 *65 K 8.25 4.74 0.00 1.44 1.53 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.28 1.29 7.81 66 P 0.00 4.31 0.00 1.48 1.85 0.00 3.52 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 2.05 2.05 0.00 67 L 8.08 4.33 0.00 1.64 1.29 0.67 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 68 F 9.58 5.24 0.00 3.16 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 69 Y 8.57 4.45 0.00 2.79 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 70 D 8.59 4.34 0.00 1.58 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 71 D 7.96 4.57 0.00 2.84 2.65 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 72 V 8.27 4.73 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 0.73 0.00 0.00 0.83 0.00 0.00 73 F 8.31 5.21 0.00 3.32 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 74 E 9.45 5.09 0.00 2.13 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 0.00 2.21 2.42 0.00 75 V 9.21 4.90 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 1.41 0.00 0.00 1.43 0.00 0.00 76 H 9.95 5.30 0.00 3.44 3.42 0.00 5.85 0.00 0.00 0.00 0.00 6.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.68 4.97 0.00 1.75 1.63 0.48 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.65 5.01 0.00 2.42 2.59 0.00 0.00 7.02 6.82 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 79 L 8.37 4.55 0.00 1.42 1.49 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *86 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 87 F 8.38 5.15 0.00 2.82 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 88 T 8.48 4.94 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 1.14 0.00 0.00 89 F 9.29 4.96 0.00 2.83 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 0.00 0.00 0.00 90 S 8.92 5.14 0.00 3.36 3.70 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 91 Y 8.80 5.29 0.00 2.18 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.71 4.82 1.81 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 1.00 0.86 0.10 0.00 0.00 93 V 8.66 4.76 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 0.97 0.00 0.00 1.22 0.00 0.00 94 F 9.36 5.48 0.00 3.10 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 95 K 8.86 4.72 0.00 1.83 1.68 0.00 1.86 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.45 7.81 96 E 9.62 3.63 0.00 2.19 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 0.00 2.25 2.36 0.00 97 D 8.41 4.38 0.00 2.81 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 98 I 7.58 4.43 2.07 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 1.29 0.90 0.95 0.00 0.00 99 A 8.70 4.12 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 0.00 100 V 8.46 4.21 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 0.92 0.00 0.00 101 A 7.03 4.58 0.94 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 0.00 0.00 102 K 8.12 4.95 0.00 1.63 1.60 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.20 1.24 7.81 103 A 8.93 4.85 0.70 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 0.00 0.00 104 N 8.95 5.90 0.00 2.39 2.61 0.00 0.00 6.47 7.37 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 0.00 105 T 8.67 5.31 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 1.46 0.00 0.00 106 K 9.01 4.89 0.00 1.71 1.62 0.00 1.57 0.00 0.00 1.87 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.35 7.81 107 H 8.36 5.27 0.00 1.66 3.03 0.00 5.65 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.66 5.18 0.00 3.05 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 0.00 109 M 8.85 5.16 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.65 0.00 110 V 8.23 4.96 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 0.72 0.00 0.00 0.93 0.00 0.00 111 K 8.93 4.87 0.00 1.75 1.73 0.00 1.70 0.00 0.00 2.40 0.00 0.00 2.80 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 0.94 7.81 *115 I 7.51 4.07 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.11 0.91 0.00 0.00 116 V 8.60 4.66 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 0.82 0.00 0.00 0.97 0.00 0.00 117 S 8.56 4.45 0.00 3.39 3.66 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 0.00 0.00 0.00 0.00 118 I 8.18 3.98 1.82 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 1.44 1.22 0.72 0.00 0.00 119 P 0.00 3.87 0.00 2.15 1.87 0.00 3.60 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 *122 V 8.48 4.19 2.27 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 0.92 0.00 0.00 0.91 0.00 0.00 123 L 8.69 3.70 0.00 1.65 1.68 0.86 1.00 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 0.00 124 E 7.93 4.47 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 2.16 1.88 0.00 125 V 7.84 3.92 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 0.79 0.00 0.00 0.86 0.00 0.00 126 L 7.68 4.51 0.00 1.80 1.62 0.43 1.02 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 * Residues marked with a * may have inaccurate shift predictions.