NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 P 4.3697 0.0000 0.0000 62.9922 33.1645 178.2886 -3 N 4.4391 8.1817 112.1451 52.0037 37.0414 173.9111 -2 S 4.1602 8.5284 115.9502 61.0843 63.5694 175.5969 -1 L 4.3746 7.7233 120.3163 55.4079 41.7973 177.1410 -3 M 4.1791 8.0617 113.0451 54.3037 31.0414 175.0111 -2 T 4.0402 8.3684 113.8502 64.5843 69.5694 175.6969 -1 N 4.7746 7.9633 117.2162 53.4079 38.2973 174.7410 4 R 4.9016 8.2301 125.4146 54.9070 33.4781 173.5518 5 L 4.8257 9.2659 128.4075 53.1551 45.4793 174.9847 6 V 4.9044 8.4162 125.0836 61.0267 34.0111 174.3278 7 L 4.6750 9.0519 129.6517 53.8084 45.5339 175.1556 8 S 5.1855 8.5722 121.9200 57.1038 65.2534 174.0141 9 G 3.9888 7.8522 109.4003 46.1183 0.0000 171.3723 10 T 5.0765 7.9290 115.9445 61.3513 71.4788 174.2772 11 V 4.3631 8.8385 127.4055 63.5657 31.9266 175.7916 12 C 4.7577 8.8166 122.7078 58.1391 31.0463 173.6159 13 R 4.6657 7.9070 119.8659 53.9857 31.9380 174.8240 14 A 4.0356 8.8682 128.3039 51.7702 19.0958 174.6166 15 P 4.5592 0.0000 0.0000 63.3857 31.9975 175.5731 16 L 4.6500 9.0418 125.9952 53.1280 43.7952 175.7908 17 R 5.0167 8.5630 123.9489 55.0418 31.3076 175.3684 18 K 4.8263 9.1410 125.0572 54.5250 36.5087 175.0629 19 V 4.9863 8.1773 121.7072 60.9032 33.9346 175.7065 20 S 4.4214 9.1924 122.7280 57.3067 63.7548 173.2501 21 P 4.2082 0.0000 0.0000 65.9018 31.0225 178.0877 22 S 4.1950 7.9458 110.2340 59.5168 63.2631 174.8116 23 G 3.9211 8.7960 110.0977 45.3833 0.0000 172.8561 24 I 4.3287 7.8986 121.5307 59.3802 38.5234 173.8377 25 P 4.9688 0.0000 0.0000 63.2442 32.8642 174.9600 26 H 5.3905 9.3884 118.1816 54.4274 33.8603 171.7226 27 C 5.2565 9.0989 121.3516 57.7897 34.3253 172.6449 28 Q 5.2858 9.0842 125.2547 54.3753 32.1150 174.5363 29 F 5.0988 8.2150 116.5009 56.4428 42.3028 172.4644 30 V 4.6518 8.5022 118.0686 60.9126 34.5538 173.5403 31 L 4.9949 8.9779 129.7245 53.3323 44.3296 174.5101 32 E 4.7614 9.4069 128.8819 55.5264 30.9148 173.9820 33 H 5.1127 9.2460 128.1721 54.5026 32.2253 173.5644 34 R 5.0968 8.0749 125.5059 55.3742 32.8982 173.6774 35 S 4.6035 9.0166 120.5648 57.8795 67.0554 173.0075 36 V 4.7769 8.3576 119.1531 61.4447 33.4522 174.8300 37 Q 4.8194 9.3795 126.3810 53.8400 32.6198 174.4929 38 E 4.7342 8.6100 120.6493 56.1193 30.5414 176.3762 39 E 4.3710 9.4945 125.2264 55.4123 32.0596 174.5870 40 A 3.9145 10.1627 128.6293 53.0700 16.3023 177.6457 41 G 3.7944 8.6981 108.0967 46.5490 0.0000 174.0326 42 F 4.5803 8.2947 118.5745 56.1560 41.3902 173.5117 43 H 5.4794 8.8170 118.4233 54.5225 30.1702 174.5850 44 R 4.7164 9.1311 124.5046 54.3650 32.6145 174.9023 45 Q 4.7458 8.8529 125.1008 55.8614 29.8634 175.2299 46 A 4.8949 9.5534 125.0186 49.9394 22.1356 174.7851 47 W 5.5534 8.6434 131.3733 56.0190 34.3708 173.8055 48 C 3.6575 7.9029 122.8315 58.3380 35.2330 172.6438 49 Q 4.6285 7.8709 124.8612 54.5813 29.7222 174.4817 50 M 4.4070 8.7446 126.4604 52.8756 33.9504 173.4988 51 P 4.6672 0.0000 0.0000 62.7641 33.1193 175.4275 52 V 4.6217 8.6661 121.8398 61.0718 35.3385 173.9503 53 I 4.9494 8.1146 124.7703 59.2696 41.9841 173.9111 54 V 4.5389 8.9953 129.2323 61.3943 33.4192 173.8586 55 S 4.7610 8.6592 123.0771 57.8082 63.6947 174.2559 56 G 4.0040 8.5470 113.3833 45.5918 0.0000 173.7956 57 H 4.0225 8.8742 121.0275 59.2336 29.8429 177.6436 58 E 3.8885 8.1322 118.7724 59.4833 29.4403 178.5763 59 N 4.4132 7.7816 116.8040 55.8261 38.5300 177.1594 60 Q 4.0020 7.9953 119.4133 58.4939 28.4406 178.4283 61 A 3.9654 7.4853 121.4905 54.5578 18.3678 178.0549 62 I 4.1099 7.3504 108.7694 61.3865 37.6976 176.2936 63 T 4.4907 7.6779 109.9821 61.7892 69.3631 175.2778 64 H 4.4199 8.1672 119.3747 57.9489 28.8448 175.8510 65 S 4.6543 7.9292 112.0955 57.5778 63.6946 173.8398 66 I 4.1608 7.1561 114.9465 60.3706 38.8315 174.8776 67 T 4.5388 8.4231 111.9395 60.0183 71.8574 173.1705 68 V 3.9385 8.0474 120.9644 63.3749 31.5667 176.1404 69 G 4.0314 9.2537 111.8648 45.3695 0.0000 174.2109 70 S 4.2079 7.8541 116.4698 58.9028 63.6818 173.6346 71 R 5.0386 8.5915 123.2881 54.7487 31.9738 175.3792 72 I 4.8355 8.6715 116.8371 59.7821 42.4286 173.9018 73 T 4.9330 8.9339 118.0080 61.9437 71.4622 173.5337 74 V 4.8337 8.8488 127.5649 61.3184 33.9373 174.3149 75 Q 4.9103 9.0968 128.2148 54.0307 32.1719 175.0892 76 G 4.3796 7.9243 111.7543 45.8912 0.0000 171.1801 77 F 5.5088 7.7291 114.8346 55.0288 41.1636 174.8326 78 I 4.8340 8.6633 113.6968 60.0784 39.7821 174.5227 79 S 4.8238 8.6739 116.7911 57.3986 66.3272 172.2377 80 C 5.5608 8.5793 120.8381 58.4600 32.4548 172.2784 81 H 5.0726 8.7872 118.9446 54.1955 32.3472 173.5111 82 K 3.7921 8.5693 122.5280 59.3044 32.3535 178.1837 83 A 3.5684 8.1351 117.7880 51.5013 16.1840 176.7596 84 K 3.8997 8.0871 113.2782 57.5026 29.7309 174.4984 85 N 4.9886 8.0657 114.7489 51.9458 42.1972 175.6025 86 G 3.7676 8.1126 111.9081 46.1894 0.0000 170.4633 87 L 3.4677 7.8540 125.8267 55.4267 40.0192 172.7514 88 S 4.4320 8.4332 115.6920 58.9858 64.5214 174.5916 89 K 4.4794 7.8076 123.7775 55.3300 31.8765 174.9103 90 M 5.1857 8.2897 121.7599 53.3500 33.9110 175.6208 91 V 4.4367 8.5618 120.2515 61.2833 35.9420 173.4417 92 L 4.3700 8.3993 129.8702 53.9668 43.5448 175.3955 93 H 4.4647 8.8266 125.7910 54.5468 28.8846 174.6924 94 A 4.4875 8.4756 126.3876 52.0828 18.2113 176.8020 95 E 4.6644 9.4318 121.1255 56.8275 32.3487 176.6147 96 Q 4.7103 7.8286 116.9343 54.4535 33.5784 173.7731 97 I 5.0723 8.3465 122.5889 59.5071 40.9280 174.2313 98 E 4.6290 9.0312 127.0238 54.3230 32.9009 174.6261 99 L 4.7568 8.4426 126.9792 53.1808 42.0958 177.4336 100 I 3.7315 8.1131 118.3604 63.4359 37.6065 176.7698 101 D 4.7882 7.9867 119.1156 53.9728 40.6878 175.3754 102 S 4.8468 7.8830 114.9720 57.1111 67.0497 174.0024 103 V 4.3607 7.8100 112.1268 61.2449 31.8855 177.8264 104 D 4.6552 8.2990 118.7327 54.3275 41.2446 173.2646 105 K 4.3489 7.5222 117.7292 55.3850 32.7349 177.7230 106 L 4.1637 8.1735 128.0493 53.1469 40.3131 176.8962 *107 A 4.1104 7.6801 124.3875 52.3378 18.8106 176.9014 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 P 0.00 4.37 0.00 2.22 2.36 0.00 3.67 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 -3 N 8.18 4.44 0.00 2.89 2.96 0.00 0.00 6.35 6.76 0.00 0.00 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 S 8.53 4.16 0.00 3.83 3.92 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 -1 L 7.72 4.37 0.00 1.74 1.57 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 -3 M 8.06 4.18 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 -2 T 8.37 4.04 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 -1 N 7.96 4.77 0.00 2.95 2.70 0.00 0.00 7.18 7.64 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 4 R 8.23 4.90 0.00 1.84 1.76 0.00 3.27 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 5 L 9.27 4.83 0.00 1.73 1.43 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.42 4.90 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 0.85 0.00 0.00 0.97 0.00 0.00 7 L 9.05 4.68 0.00 1.67 1.38 0.57 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.57 5.19 0.00 3.94 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 9 G 7.85 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 10 T 7.93 5.08 4.28 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 0.00 0.00 0.00 1.23 0.00 0.00 11 V 8.84 4.36 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 0.90 0.00 0.00 0.69 0.00 0.00 12 C 8.82 4.76 0.00 3.09 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 13 R 7.91 4.67 0.00 1.83 2.01 0.00 3.33 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 14 A 8.87 4.04 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 15 P 0.00 4.56 0.00 1.90 2.00 0.00 3.61 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.78 0.00 16 L 9.04 4.65 0.00 1.61 1.60 0.94 0.83 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 17 R 8.56 5.02 0.00 1.85 1.85 0.00 3.20 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.89 0.00 18 K 9.14 4.83 0.00 1.71 1.65 0.00 1.88 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.35 7.81 19 V 8.18 4.99 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 0.89 0.00 0.00 0.95 0.00 0.00 20 S 9.19 4.42 0.00 4.04 4.06 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 21 P 0.00 4.21 0.00 2.06 2.18 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 22 S 7.95 4.19 0.00 3.99 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 23 G 8.80 3.92 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 0.00 0.00 0.00 24 I 7.90 4.33 1.94 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 1.31 0.99 0.85 0.00 0.00 25 P 0.00 4.97 0.00 2.12 2.19 0.00 3.64 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 2.01 2.04 0.00 26 H 9.39 5.39 0.00 3.20 3.18 0.00 5.75 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 27 C 9.10 5.26 0.00 3.18 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 28 Q 9.08 5.29 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.30 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 29 F 8.22 5.10 0.00 3.25 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 30 V 8.50 4.65 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 0.94 0.00 0.00 0.90 0.00 0.00 31 L 8.98 4.99 0.00 1.84 1.59 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.41 4.76 0.00 2.11 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 0.00 2.39 2.40 0.00 33 H 9.25 5.11 0.00 3.20 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.07 5.10 0.00 1.99 1.80 0.00 3.43 0.00 0.00 3.42 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 35 S 9.02 4.60 0.00 3.91 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 36 V 8.36 4.78 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 0.88 0.00 0.00 0.96 0.00 0.00 37 Q 9.38 4.82 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 38 E 8.61 4.73 0.00 1.87 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 2.29 2.25 0.00 39 E 9.49 4.37 0.00 1.93 1.83 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 2.26 2.29 0.00 40 A 10.16 3.91 1.45 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 0.00 0.00 41 G 8.70 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 0.00 0.00 0.00 42 F 8.29 4.58 0.00 3.30 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 43 H 8.82 5.48 0.00 3.06 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.13 4.72 0.00 1.92 1.80 0.00 3.18 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 45 Q 8.85 4.75 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.46 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 46 A 9.55 4.89 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 47 W 8.64 5.55 0.00 3.25 3.12 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 48 C 7.90 3.66 0.00 2.76 2.44 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 49 Q 7.87 4.63 0.00 1.72 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.56 0.00 0.00 0.00 0.00 0.00 2.15 1.89 0.00 50 M 8.74 4.41 0.00 1.97 1.79 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 51 P 0.00 4.67 0.00 2.00 2.04 0.00 3.56 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 2.16 1.87 0.00 52 V 8.67 4.62 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 0.55 0.00 0.00 0.65 0.00 0.00 53 I 8.11 4.95 1.68 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 1.09 1.40 0.61 0.00 0.00 54 V 9.00 4.54 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 0.93 0.00 0.00 1.04 0.00 0.00 55 S 8.66 4.76 0.00 4.06 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 56 G 8.55 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 57 H 8.87 4.02 0.00 3.26 3.33 0.00 5.88 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 58 E 8.13 3.89 0.00 2.21 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 2.37 2.40 0.00 59 N 7.78 4.41 0.00 2.91 2.90 0.00 0.00 6.91 7.24 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 60 Q 8.00 4.00 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 61 A 7.49 3.97 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 62 I 7.35 4.11 1.86 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 1.65 0.65 0.90 0.00 0.00 63 T 7.68 4.49 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 1.24 0.00 0.00 64 H 8.17 4.42 0.00 3.16 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.93 4.65 0.00 3.92 3.92 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 66 I 7.16 4.16 1.58 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.40 0.75 0.00 0.00 67 T 8.42 4.54 4.21 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 1.17 0.00 0.00 68 V 8.05 3.94 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 0.71 0.00 0.00 0.94 0.00 0.00 69 G 9.25 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 70 S 7.85 4.21 0.00 3.77 3.73 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 71 R 8.59 5.04 0.00 1.90 1.85 0.00 3.08 0.00 0.00 3.39 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 72 I 8.67 4.84 1.99 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 1.25 0.76 0.86 0.00 0.00 73 T 8.93 4.93 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 74 V 8.85 4.83 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 1.00 0.00 0.00 1.06 0.00 0.00 75 Q 9.10 4.91 0.00 2.14 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.48 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 76 G 7.92 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 7.73 5.51 0.00 3.21 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 78 I 8.66 4.83 1.87 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 1.24 0.73 0.86 0.00 0.00 79 S 8.67 4.82 0.00 4.02 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 C 8.58 5.56 0.00 2.84 2.87 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 81 H 8.79 5.07 0.00 3.07 3.13 0.00 5.96 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.57 3.79 0.00 1.89 1.97 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.22 1.12 7.81 83 A 8.14 3.57 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 3.90 0.00 1.90 1.89 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.40 7.81 85 N 8.07 4.99 0.00 2.64 2.62 0.00 0.00 7.00 7.39 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 86 G 8.11 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.85 3.47 0.00 1.78 1.70 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.43 4.43 0.00 3.99 3.81 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 89 K 7.81 4.48 0.00 1.80 1.76 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.49 1.46 7.81 90 M 8.29 5.19 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 91 V 8.56 4.44 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 0.63 0.00 0.00 0.84 0.00 0.00 92 L 8.40 4.37 0.00 1.67 1.33 0.79 0.75 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 93 H 8.83 4.46 0.00 1.40 2.62 0.00 5.67 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 94 A 8.48 4.49 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 95 E 9.43 4.66 0.00 1.94 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 2.35 2.37 0.00 96 Q 7.83 4.71 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 97 I 8.35 5.07 2.00 0.00 0.00 1.00 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 0.65 0.91 0.00 0.00 98 E 9.03 4.63 0.00 2.02 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 2.18 2.24 0.00 99 L 8.44 4.76 0.00 1.63 1.59 0.90 0.77 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 0.00 100 I 8.11 3.73 1.88 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 1.54 0.53 0.92 0.00 0.00 101 D 7.99 4.79 0.00 2.67 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 0.00 102 S 7.88 4.85 0.00 3.94 3.73 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 V 7.81 4.36 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 0.89 0.00 0.00 0.93 0.00 0.00 104 D 8.30 4.66 0.00 2.82 2.84 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 0.00 105 K 7.52 4.35 0.00 1.76 1.74 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.44 7.81 106 L 8.17 4.16 0.00 1.61 1.63 0.92 0.86 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 *107 A 7.68 4.11 1.23 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.