NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.5461 8.3133 118.0697 56.6821 41.9136 171.8751 2 E 4.5499 8.1879 120.1551 55.6355 31.2365 173.0671 3 E 4.4360 9.6447 120.7435 56.6134 31.1759 174.5065 4 P 3.7783 0.0000 0.0000 61.4367 31.9797 174.7058 5 P 4.3075 0.0000 0.0000 63.2995 31.8497 175.9971 6 T 4.5963 7.9123 110.5198 60.5088 70.5236 173.5587 7 F 4.6687 8.1598 120.1652 55.9831 43.1480 174.2312 8 E 4.1935 8.7525 121.2375 57.2644 30.0269 176.3346 9 A 3.7299 7.8682 118.7910 51.4327 21.5104 176.0305 10 M 5.1450 7.7739 111.3601 53.5403 34.7723 174.5834 11 E 4.8794 9.1909 121.2214 55.0556 33.6439 176.7713 *12 L 4.1411 8.3079 116.1300 54.1653 42.6487 173.0132 13 I 3.9198 7.4616 121.3605 61.7524 37.7370 176.8775 14 G 3.8147 8.7730 115.7482 44.8764 0.0000 173.2947 15 K 4.1903 8.1729 119.6991 53.6488 32.2418 171.2186 16 P 4.6401 0.0000 0.0000 61.6034 32.0248 175.9743 17 K 4.4395 8.6820 123.1718 54.0524 33.5631 175.2571 18 P 4.6402 0.0000 0.0000 64.6536 31.5927 176.3418 19 Y 5.3586 7.4709 117.8079 55.1442 41.2953 174.1295 20 Y 4.5576 8.3001 123.6706 56.2487 40.8021 175.0989 21 E 4.1552 9.2602 124.0812 54.6381 32.1719 175.3856 22 I 3.7470 8.0255 122.7634 62.3783 37.4131 177.2454 23 G 3.9220 8.9947 113.6247 45.3017 0.0000 172.9668 24 E 4.2298 7.8686 122.2612 55.9667 30.4961 175.5722 25 R 5.2362 8.6814 127.1744 54.7340 33.0261 175.2638 26 V 4.3840 8.4603 122.3290 60.0448 35.0707 174.0296 27 D 5.0622 8.3773 122.4692 52.9555 43.6225 174.7798 28 Y 5.2394 8.5328 118.5970 56.0882 41.2422 175.1037 29 K 4.7572 8.5779 119.5849 55.0358 36.5112 174.8330 30 C 4.9085 8.7185 118.5170 56.7674 40.8632 174.0143 31 K 4.3708 8.9613 122.5683 55.6387 33.2557 176.5259 32 K 3.9888 8.6881 122.6908 58.7620 32.4900 176.9345 33 G 3.9818 9.4548 113.8514 45.0155 0.0000 171.9743 34 Y 5.6119 7.9783 116.2429 56.2909 41.5199 175.0459 35 F 5.2422 9.3142 115.5093 55.4490 41.9667 173.1273 36 Y 4.9961 8.8254 121.5681 57.1863 40.4861 173.9953 37 I 4.3487 7.5269 125.4803 58.5245 40.4660 173.9330 38 P 4.2809 0.0000 0.0000 61.7098 31.7299 174.3086 39 P 4.8062 0.0000 0.0000 62.0456 32.0961 175.4005 40 L 3.8362 7.9077 118.7187 55.6662 41.9556 176.7565 41 A 4.4965 8.4158 125.7449 52.1420 19.6237 176.9518 42 T 4.7613 8.3083 110.1393 61.6012 69.7534 173.2042 43 H 5.4917 8.1041 115.4458 55.4204 32.1984 171.7965 44 T 4.7910 8.5856 112.3419 60.9758 71.1796 172.4631 45 I 5.1535 8.3767 125.1453 59.6999 41.8965 174.3870 46 C 4.8188 8.1556 123.5553 54.9412 43.4922 174.0291 47 D 4.6631 8.2728 128.7591 53.3048 39.7345 177.9450 48 R 3.8686 8.5826 116.6349 59.4476 29.8036 173.8274 49 N 4.9055 7.4209 118.6067 53.9206 39.3433 175.2592 50 H 4.8090 8.5811 112.2872 56.1929 29.8785 172.4281 51 T 4.5159 7.5697 107.6599 59.5060 72.3930 172.9540 52 W 5.1317 8.3231 121.7305 55.6036 30.3064 176.4976 53 L 4.3375 8.3382 123.5490 54.1995 42.2234 175.1233 54 P 4.6516 0.0000 0.0000 62.7955 31.7996 176.9612 55 V 4.3813 8.1582 121.8962 60.6137 33.9580 173.0142 56 S 4.8823 8.1471 116.9186 56.4655 66.1484 173.1334 57 D 4.2747 8.3302 120.0175 53.5056 39.1151 176.5722 58 D 4.4007 7.5202 117.1895 55.4840 42.5343 177.9374 59 A 3.9920 7.5689 120.9009 53.9770 19.8706 177.7603 60 C 5.0167 7.7555 113.1649 56.4202 42.3677 173.0676 61 Y 4.8308 8.7506 121.2094 55.7796 41.3660 175.2390 62 R 4.1655 8.5928 119.5467 55.8019 31.0628 176.8484 63 E 4.3585 9.0884 122.5870 57.2287 30.6240 176.6009 64 T 4.9466 8.3641 113.0670 60.7828 71.2839 174.2864 65 C 4.8403 8.5548 119.5903 54.3528 42.3000 172.4791 66 P 4.5134 0.0000 0.0000 62.8254 31.5651 175.9425 67 Y 4.3722 8.7574 122.7723 58.1833 39.1671 175.4687 68 I 4.1862 8.0033 126.6057 59.2023 39.1508 175.9653 69 R 3.8589 7.9273 124.3494 55.2821 30.7204 176.2398 70 D 4.4534 8.5317 120.1931 54.0185 41.3954 175.1519 71 P 4.2124 0.0000 0.0000 62.2856 31.9726 175.5262 72 L 3.9852 8.2395 123.4794 56.7200 42.4347 176.7138 73 N 4.1011 8.9803 121.2291 53.4720 36.5751 173.3014 74 G 4.4078 7.7447 106.9766 46.0496 0.0000 172.2387 75 Q 4.7178 8.3603 118.5694 55.3844 33.5035 174.0027 76 A 4.7215 9.2436 129.5719 50.5253 20.3043 175.9384 77 V 4.2869 7.9728 115.7974 59.4238 33.9689 174.3636 78 P 4.3783 0.0000 0.0000 62.7844 31.7417 175.9823 79 A 4.5123 8.4295 124.6297 51.9464 18.9675 178.0110 80 N 4.6982 7.7990 110.8184 53.6005 41.5403 176.3497 81 G 4.0171 8.3494 105.7829 45.8905 0.0000 173.7022 82 T 4.7412 7.2808 112.0923 60.6019 70.2041 172.9435 83 Y 4.6761 8.6208 122.9177 57.7949 38.4855 175.7743 84 E 4.6847 8.0888 120.7206 55.6628 30.2319 176.4323 85 F 4.4014 7.8727 116.1912 58.1981 38.3818 175.4268 86 G 3.7061 9.2235 111.6538 45.2136 0.0000 173.0892 87 Y 4.8622 7.3073 115.3637 56.5885 41.3902 174.6663 88 Q 5.4454 8.7164 118.6426 54.6901 32.8897 174.2702 89 M 4.7746 8.7188 119.3399 54.0023 35.5118 173.4947 90 H 5.1135 8.7583 125.3998 54.3345 32.8419 172.8042 91 F 5.4111 8.5924 122.9656 55.7874 41.6600 174.7779 92 I 4.7652 8.8229 123.3755 59.8093 41.2899 173.5272 93 C 4.9572 8.8005 123.4928 55.2547 36.2815 173.3897 94 N 4.5925 8.8000 123.3585 53.6628 39.7475 174.8571 95 E 4.1216 8.6992 116.0341 57.6760 30.0969 176.0675 96 G 3.8960 9.1933 110.5859 44.9323 0.0000 172.5012 97 Y 5.2975 7.7688 115.4296 56.2393 41.9848 174.2985 98 Y 5.0107 8.8569 119.5955 55.1356 41.6897 174.1816 99 L 4.9268 8.6329 122.6686 54.1222 43.6562 175.5428 100 I 4.2428 8.3098 118.7706 60.2999 40.0228 172.3997 101 G 3.5176 8.9885 117.8140 45.8239 0.0000 167.1545 102 E 3.5715 8.2819 128.8211 56.0042 26.7022 173.9259 103 E 4.6040 8.3915 120.7716 56.4239 31.1313 175.7195 104 I 5.6990 7.3880 119.9388 59.2614 41.5650 174.2494 105 L 4.7876 8.5787 125.2684 53.1262 45.1939 175.0485 106 Y 5.1082 8.5022 120.8455 57.7974 39.9802 175.3384 107 C 4.6352 9.1898 124.8365 55.4894 44.4541 172.5523 108 E 4.7254 8.7074 125.3900 54.5696 32.2452 175.0413 109 L 4.4602 8.2861 125.0589 54.0591 42.0140 176.6017 110 K 4.3572 8.3814 129.5134 53.6079 33.2787 174.5325 111 G 4.0390 8.2059 117.9274 46.1715 0.0000 175.4948 112 S 4.4756 8.9032 121.3632 58.1718 63.9551 173.7086 113 V 4.4282 7.2604 119.8272 60.7267 33.3974 173.8643 114 A 4.9367 8.2670 128.0761 50.6015 20.5722 176.3311 115 I 4.6467 8.1095 115.4769 58.8926 41.9129 174.1470 116 W 5.2011 8.6119 122.4697 56.0348 29.6129 176.6339 117 S 4.3211 9.9497 121.0901 61.6002 62.4111 174.0454 118 G 4.3451 7.8212 105.7114 43.8393 0.0000 170.6303 119 K 4.5398 8.4283 120.3459 53.7205 33.6194 175.2660 120 P 3.6063 0.0000 0.0000 62.5746 31.6823 174.3517 121 P 4.4349 0.0000 0.0000 62.0782 33.0405 175.0268 122 I 4.4638 7.8065 120.0814 59.8734 40.6238 174.5409 123 C 5.2594 8.4778 121.1289 55.3263 43.4779 173.1490 124 E 4.7425 8.8887 127.7402 54.6986 31.8657 177.2294 125 K 3.9567 8.8285 123.8617 54.3662 32.1394 178.3805 126 V 3.8640 8.1143 123.4594 64.4947 32.3472 171.6586 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 C 8.31 4.55 0.00 2.23 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 2 E 8.19 4.55 0.00 2.17 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 2.38 2.45 0.00 3 E 9.64 4.44 0.00 2.20 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 2.49 2.53 0.00 4 P 0.00 3.78 0.00 1.76 1.05 0.00 3.80 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 1.69 1.30 0.00 5 P 0.00 4.31 0.00 2.13 1.84 0.00 3.46 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 6 T 7.91 4.60 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 1.23 0.00 0.00 7 F 8.16 4.67 0.00 2.92 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 8 E 8.75 4.19 0.00 1.85 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 2.28 2.25 0.00 9 A 7.87 3.73 0.77 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 10 M 7.77 5.15 0.00 1.74 1.92 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.94 0.00 11 E 9.19 4.88 0.00 2.03 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 0.00 2.32 2.25 0.00 *12 L 8.31 4.14 0.00 1.42 1.50 0.37 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.46 3.92 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.93 0.87 0.00 0.00 14 G 8.77 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 0.00 0.00 0.00 15 K 8.17 4.19 0.00 1.79 1.61 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.03 7.81 16 P 0.00 4.64 0.00 2.09 2.08 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 17 K 8.68 4.44 0.00 0.79 0.96 0.00 1.35 0.00 0.00 1.38 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.20 1.21 7.81 18 P 0.00 4.64 0.00 2.08 2.14 0.00 3.59 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 19 Y 7.47 5.36 0.00 2.87 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 20 Y 8.30 4.56 0.00 2.67 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 21 E 9.26 4.16 0.00 2.06 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 2.31 2.33 0.00 22 I 8.03 3.75 1.86 0.00 0.00 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 1.34 0.40 0.99 0.00 0.00 23 G 8.99 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 E 7.87 4.23 0.00 2.15 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 2.49 2.34 0.00 25 R 8.68 5.24 0.00 1.85 1.77 0.00 2.99 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 26 V 8.46 4.38 1.53 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 -0.31 0.00 0.00 0.56 0.00 0.00 27 D 8.38 5.06 0.00 2.51 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.53 5.24 0.00 2.76 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 29 K 8.58 4.76 0.00 1.79 1.84 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.40 7.81 30 C 8.72 4.91 0.00 3.00 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 31 K 8.96 4.37 0.00 1.70 1.80 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.65 1.35 7.81 32 K 8.69 3.99 0.00 1.75 1.80 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 33 G 9.45 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 34 Y 7.98 5.61 0.00 3.01 2.99 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 35 F 9.31 5.24 0.00 3.25 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 36 Y 8.83 5.00 0.00 3.12 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.53 4.35 1.83 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.48 0.76 0.00 0.00 38 P 0.00 4.28 0.00 2.01 2.04 0.00 3.58 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 39 P 0.00 4.81 0.00 2.15 2.14 0.00 3.51 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.06 0.00 40 L 7.91 3.84 0.00 1.58 1.64 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.42 4.50 1.18 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 0.00 0.00 42 T 8.31 4.76 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 1.21 0.00 0.00 43 H 8.10 5.49 0.00 3.12 3.28 0.00 5.48 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.59 4.79 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 0.84 0.00 0.00 45 I 8.38 5.15 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.09 0.98 0.00 0.00 46 C 8.16 4.82 0.00 2.82 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 47 D 8.27 4.66 0.00 3.05 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 48 R 8.58 3.87 0.00 1.85 1.92 0.00 3.26 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.00 49 N 7.42 4.91 0.00 2.94 2.70 0.00 0.00 6.80 8.04 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 50 H 8.58 4.81 0.00 2.99 3.18 0.00 5.84 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 51 T 7.57 4.52 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 1.18 0.00 0.00 52 W 8.32 5.13 0.00 3.23 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 53 L 8.34 4.34 0.00 1.66 1.71 1.05 1.08 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 54 P 0.00 4.65 0.00 1.95 2.01 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 55 V 8.16 4.38 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 0.73 0.00 0.00 0.70 0.00 0.00 56 S 8.15 4.88 0.00 3.90 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 57 D 8.33 4.27 0.00 2.56 2.47 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 58 D 7.52 4.40 0.00 2.52 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 7.57 3.99 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 60 C 7.76 5.02 0.00 2.67 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 61 Y 8.75 4.83 0.00 2.17 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 62 R 8.59 4.17 0.00 1.55 1.32 0.00 2.84 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.51 0.00 63 E 9.09 4.36 0.00 2.07 1.90 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 2.55 2.55 0.00 64 T 8.36 4.95 4.32 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 1.33 0.00 0.00 65 C 8.55 4.84 0.00 2.36 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 66 P 0.00 4.51 0.00 2.29 2.14 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 67 Y 8.76 4.37 0.00 2.76 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 68 I 8.00 4.19 1.64 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.00 0.81 0.00 0.00 69 R 7.93 3.86 0.00 1.73 1.86 0.00 3.32 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.57 0.00 70 D 8.53 4.45 0.00 2.64 2.78 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 71 P 0.00 4.21 0.00 2.13 2.04 0.00 3.72 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 2.30 2.17 0.00 72 L 8.24 3.99 0.00 1.50 1.48 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.98 4.10 0.00 2.25 1.42 0.00 0.00 6.77 7.61 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 74 G 7.74 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.36 4.72 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.17 2.41 0.00 76 A 9.24 4.72 1.03 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 77 V 7.97 4.29 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 0.70 0.00 0.00 0.84 0.00 0.00 78 P 0.00 4.38 0.00 1.98 1.81 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.95 0.00 79 A 8.43 4.51 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 80 N 7.80 4.70 0.00 2.49 2.46 0.00 0.00 6.99 7.94 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 81 G 8.35 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 0.00 0.00 0.00 82 T 7.28 4.74 4.09 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 0.52 0.00 0.00 83 Y 8.62 4.68 0.00 3.12 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 84 E 8.09 4.68 0.00 2.27 1.78 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 2.42 2.34 0.00 85 F 7.87 4.40 0.00 3.00 2.95 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 86 G 9.22 3.71 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 0.00 0.00 0.00 87 Y 7.31 4.86 0.00 2.99 2.85 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 88 Q 8.72 5.45 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.86 0.00 0.00 0.00 0.00 0.00 2.65 2.91 0.00 89 M 8.72 4.77 0.00 1.51 1.15 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.50 0.00 90 H 8.76 5.11 0.00 3.13 3.01 0.00 5.58 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 91 F 8.59 5.41 0.00 2.86 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 92 I 8.82 4.77 1.90 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 1.32 1.62 0.95 0.00 0.00 93 C 8.80 4.96 0.00 2.93 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 94 N 8.80 4.59 0.00 2.89 2.88 0.00 0.00 6.87 7.72 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 95 E 8.70 4.12 0.00 1.98 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 2.23 1.88 0.00 96 G 9.19 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 0.00 0.00 0.00 97 Y 7.77 5.30 0.00 2.92 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 98 Y 8.86 5.01 0.00 3.01 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 99 L 8.63 4.93 0.00 1.69 1.63 0.92 0.96 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 0.00 100 I 8.31 4.24 1.85 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 1.05 0.54 0.82 0.00 0.00 101 G 8.99 3.52 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 0.00 0.00 0.00 102 E 8.28 3.57 0.00 2.00 1.98 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 2.11 2.20 0.00 103 E 8.39 4.60 0.00 2.25 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 0.00 2.32 2.29 0.00 104 I 7.39 5.70 1.85 0.00 0.00 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 1.49 1.43 0.97 0.00 0.00 105 L 8.58 4.79 0.00 1.51 1.69 0.77 0.84 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 0.00 106 Y 8.50 5.11 0.00 3.01 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 0.00 107 C 9.19 4.64 0.00 1.45 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 0.00 108 E 8.71 4.73 0.00 2.01 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 2.29 2.33 0.00 109 L 8.29 4.46 0.00 0.51 0.95 0.70 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.38 4.36 0.00 1.75 1.69 0.00 1.94 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.23 7.81 111 G 8.21 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 0.00 0.00 0.00 112 S 8.90 4.48 0.00 3.85 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 0.00 113 V 7.26 4.43 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 0.90 0.00 0.00 114 A 8.27 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.11 4.65 1.89 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 1.17 0.68 0.89 0.00 0.00 116 W 8.61 5.20 0.00 3.25 3.16 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 0.00 117 S 9.95 4.32 0.00 3.89 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 0.00 118 G 7.82 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 0.00 119 K 8.43 4.54 0.00 1.68 1.63 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.38 7.81 120 P 0.00 3.61 0.00 1.85 1.71 0.00 3.62 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 121 P 0.00 4.43 0.00 1.60 1.99 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.73 0.00 122 I 7.81 4.46 1.72 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.18 0.78 0.00 0.00 123 C 8.48 5.26 0.00 2.83 2.85 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 0.00 124 E 8.89 4.74 0.00 1.49 1.12 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 2.21 2.30 0.00 125 K 8.83 3.96 0.00 1.82 1.69 0.00 1.99 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 0.99 7.81 126 V 8.11 3.86 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 0.82 0.00 0.00 1.15 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.