NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 A 4.3799 8.2601 123.5821 52.4318 21.7353 178.1640 0 A 4.5901 7.3030 123.9864 50.4887 17.4868 176.3582 2 E 4.6608 8.9933 122.1394 56.9569 33.5865 171.3488 3 V 4.8472 8.4448 126.0098 61.2008 34.7349 174.2764 4 I 4.4276 8.6540 128.6909 60.0227 38.7050 174.7767 5 R 4.9132 8.5535 125.9104 54.3952 32.5930 176.0500 6 E 4.3622 8.6202 122.2818 54.6928 30.9776 175.9733 7 Q 3.9648 8.5740 120.6668 56.7494 29.2235 176.1505 8 E 4.1674 8.8389 124.2834 57.1846 30.5721 176.1224 9 F 4.7226 9.5449 125.3858 56.4515 42.3191 174.1698 10 V 4.2203 7.7539 126.7961 61.8622 30.7547 175.0816 11 N 4.5969 8.7786 126.2902 56.1370 39.3726 175.7679 12 Q 4.6117 8.3012 118.0875 55.1807 33.5563 172.9222 13 Y 5.0819 8.6522 126.7354 56.8642 42.0803 172.7891 14 H 5.2400 9.4046 125.4983 54.1120 31.4692 172.8384 15 Y 4.8315 8.6916 124.4033 55.9055 40.6798 174.3126 16 D 4.8462 8.4023 125.7403 51.8621 44.6319 175.2262 17 A 4.3738 8.6328 124.8856 51.9138 19.2271 177.1267 18 R 3.7826 8.5218 122.1602 56.9072 31.0200 176.3466 19 N 4.9055 8.6880 123.8883 51.0404 39.5267 174.1618 20 L 4.1457 8.2274 124.8449 57.1521 41.7460 178.4834 21 E 4.1514 8.2179 118.4044 59.0267 29.3839 178.9389 22 W 4.1038 8.3574 127.9256 60.7004 30.7319 177.9854 23 E 4.1484 8.1475 119.3042 58.8536 28.6083 179.1496 24 E 3.8845 8.2156 118.1848 59.1134 29.5243 178.5572 25 E 4.1812 7.2852 116.9221 57.6099 30.1501 177.3543 26 N 4.5103 7.7850 113.0272 51.3325 40.0875 175.4223 27 G 3.9253 7.5639 108.4088 45.3313 0.0000 173.0609 28 T 4.2592 8.0441 117.7341 61.7126 69.1615 173.5285 29 P 4.5261 0.0000 0.0000 62.4845 32.2069 175.5799 30 K 4.5965 8.1209 118.1733 54.3691 34.7951 176.4202 31 T 4.1538 8.4229 119.7783 64.5969 69.0159 173.0077 32 N 4.8378 8.9333 122.4214 52.6939 43.1033 172.9404 33 F 5.2092 9.0304 123.5822 55.6269 42.4471 174.0142 34 E 4.6367 9.4542 123.9815 54.4359 32.6088 174.1511 35 V 4.7315 8.5599 127.2691 61.5052 33.1510 174.5641 36 T 4.7071 8.5914 117.3508 59.9327 72.7459 172.4721 37 F 5.5225 8.6078 118.5690 56.0165 43.5259 175.0047 38 Q 4.5142 9.4698 120.2580 53.7228 31.8251 174.5503 39 L 4.2438 8.7964 126.7824 55.7687 42.2149 175.7804 40 A 4.5910 9.6669 129.2960 53.4180 20.2287 176.4333 41 N 4.9539 7.8703 112.0680 52.5117 42.7760 172.7609 42 R 4.9957 8.5340 122.9949 54.6293 32.7552 175.5923 43 D 4.5352 9.7034 126.1548 52.5468 40.5968 176.2060 44 E 3.8516 9.0192 125.1015 59.0759 29.8632 178.4078 45 A 4.0793 8.1230 119.1357 55.1116 18.5644 178.4873 46 A 4.0600 8.3457 117.0337 52.7540 19.4281 177.2938 47 K 3.8316 8.2053 115.5398 57.8773 30.0693 175.0442 48 V 4.8803 7.2967 117.1312 61.4255 35.4820 174.6619 49 T 5.2150 8.6018 124.1999 62.0743 70.7792 173.4126 50 S 5.2648 9.5209 124.2537 57.2760 64.9865 173.3801 51 I 4.9890 8.3570 123.9696 60.0083 41.5668 173.7458 52 V 4.3985 9.2441 130.2835 61.8462 32.8933 174.5252 53 A 4.7317 9.0346 130.9485 51.4071 20.1538 176.0536 54 V 4.6663 8.5839 122.3605 60.8376 34.9423 173.8546 55 L 5.0661 9.2449 130.3488 53.4700 44.3197 174.4194 56 Q 5.1498 9.0920 128.8607 54.3883 31.1643 174.2296 57 F 5.2565 8.7728 121.0356 55.0536 42.0965 173.8152 58 V 4.7691 8.4982 119.8479 61.3108 34.9418 173.9994 59 I 4.8108 9.3537 128.6310 59.5093 40.2372 174.4102 60 V 4.5184 8.4881 127.4690 61.2462 33.1637 174.9528 61 R 4.5524 8.1498 126.3085 54.0723 33.7655 174.8804 62 D 4.4015 8.5547 117.4184 57.3781 40.8258 177.5964 63 E 4.5811 7.7304 116.1891 56.3256 31.1074 174.9707 64 F 5.2653 6.9928 112.6843 55.5279 41.5637 173.0749 65 V 4.8151 8.8864 120.1230 61.2400 34.3534 174.1114 66 I 5.0182 9.0350 129.0007 59.6882 39.6640 174.8616 67 S 4.5386 9.1874 120.3158 56.2851 66.9811 174.6086 68 G 3.3699 5.6977 106.2172 46.0342 0.0000 170.8254 69 V 5.0636 7.7147 118.8251 61.6218 35.2622 175.2809 70 I 5.3613 9.2418 128.5393 59.6769 40.8262 174.6870 71 S 5.1409 9.4879 119.1189 57.0311 66.6670 172.1628 72 Q 4.2768 8.9198 123.9971 55.2453 33.6003 173.2114 *74 A 4.2057 8.6174 117.3854 52.0625 20.7408 175.6840 75 H 5.1737 8.9880 119.8609 54.1720 30.4613 173.4877 76 I 4.4811 8.8822 125.8589 60.8880 38.3249 175.2365 77 Q 4.5106 9.0829 126.9576 55.3655 30.0199 176.2123 78 G 3.9401 9.3886 111.4344 45.7187 0.0000 173.3072 79 R 4.6391 7.6583 116.2350 54.1559 33.8277 175.2797 80 L 4.5634 8.2335 121.6852 52.7262 42.1031 174.8726 81 I 3.9373 8.3016 123.8192 60.5991 37.6795 176.4828 82 N 4.4880 8.7746 123.9362 55.9009 38.9344 175.3070 83 E 4.6083 7.4720 112.9626 54.3310 32.1848 174.1220 84 P 3.0052 0.0000 0.0000 65.4267 31.5073 178.6094 85 S 4.2285 7.7992 110.8778 60.3640 62.9911 174.5158 86 E 4.2292 7.8477 119.8053 56.6211 29.5204 176.8068 87 F 4.7094 7.6548 119.6309 57.1977 39.6009 176.1183 88 S 4.4585 9.6876 120.6175 57.8845 64.9662 175.4424 89 Q 4.0283 8.6876 121.5113 59.6127 28.3868 179.1755 90 D 4.3955 8.1716 118.9123 57.7000 40.8137 178.8517 91 E 3.8401 8.0985 118.4410 59.1493 29.3452 179.5371 92 V 3.6043 7.9444 118.4026 66.1670 31.7302 178.0145 93 E 3.9148 8.3099 118.3193 59.1434 29.0050 178.5934 94 N 4.2069 8.0877 116.5343 57.0187 39.1012 176.6440 95 L 4.0831 7.8384 118.7342 57.5750 42.0323 178.9930 96 A 4.1340 8.4006 119.9405 53.6977 18.4475 179.1259 97 A 3.8538 7.6721 119.6580 55.2391 18.5567 178.2032 98 P 4.2546 0.0000 0.0000 65.2704 31.4876 179.0522 99 L 3.9724 7.7732 117.7152 57.8284 41.6269 179.2619 100 L 3.7548 7.7558 118.9230 57.5552 41.3430 179.0464 101 E 3.9951 8.2465 119.2876 59.3545 29.4831 178.9060 102 I 3.6338 7.6327 119.4484 64.5046 37.1668 178.4678 103 V 3.5445 7.5758 118.5569 65.7955 31.2609 177.9061 104 K 4.0248 8.5775 119.6990 59.6131 32.1072 178.9428 105 R 3.9043 8.2034 118.4457 59.3627 29.9677 179.1134 106 L 3.7819 7.9300 118.6879 57.9536 41.3878 179.8028 107 T 4.4912 8.1293 117.1548 66.2432 68.4285 175.9225 108 Y 4.1269 8.0281 122.7177 60.2241 38.7002 178.2427 109 E 3.9817 8.2779 119.1795 59.4477 29.5363 179.6437 110 V 3.4203 8.0523 118.9322 66.0964 31.5245 178.2222 111 T 3.5662 8.0095 109.9175 64.4330 68.1287 176.2285 112 E 4.5107 7.8924 123.5083 58.6209 29.3909 179.0017 113 I 3.6497 7.1539 118.2229 64.2860 37.3269 177.4707 114 A 3.9790 7.8283 121.6162 54.7958 18.1884 178.3126 115 L 4.3253 7.8784 112.7011 53.9907 42.6262 175.7921 116 D 4.4112 7.5156 116.9587 54.6153 40.0571 172.4634 117 R 4.6585 7.1931 115.4049 53.8747 34.7498 173.2733 118 P 4.4089 0.0000 0.0000 62.6202 31.7534 176.8873 119 G 2.8868 7.9146 110.7448 45.4224 0.0000 173.2843 120 V 3.6375 8.5449 123.1865 62.6627 32.0551 175.3209 121 T 4.7797 8.2326 117.1461 59.4209 69.0359 173.8243 122 L 3.9204 8.3377 126.8831 54.7875 42.2340 176.8277 123 E 4.3397 8.0976 121.0109 54.5002 31.7224 176.2357 124 F 4.6022 8.3645 121.5414 57.6387 39.6002 175.0849 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 A 8.26 4.38 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 0 A 7.30 4.59 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 2 E 8.99 4.66 0.00 2.00 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 2.26 2.28 0.00 3 V 8.44 4.85 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 0.87 0.00 0.00 0.89 0.00 0.00 4 I 8.65 4.43 1.93 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 1.24 0.65 0.94 0.00 0.00 5 R 8.55 4.91 0.00 1.67 1.82 0.00 3.20 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 6 E 8.62 4.36 0.00 1.97 1.92 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 2.34 2.27 0.00 7 Q 8.57 3.96 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 8 E 8.84 4.17 0.00 1.89 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 0.00 2.34 2.42 0.00 9 F 9.54 4.72 0.00 3.09 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 10 V 7.75 4.22 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 0.87 0.00 0.00 0.85 0.00 0.00 11 N 8.78 4.60 0.00 2.88 2.97 0.00 0.00 6.89 7.69 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 12 Q 8.30 4.61 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 13 Y 8.65 5.08 0.00 3.18 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 14 H 9.40 5.24 0.00 2.98 3.18 0.00 5.65 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 15 Y 8.69 4.83 0.00 3.06 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 16 D 8.40 4.85 0.00 2.39 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 17 A 8.63 4.37 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 18 R 8.52 3.78 0.00 1.87 1.85 0.00 3.19 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 19 N 8.69 4.91 0.00 2.68 2.67 0.00 0.00 7.24 6.66 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 20 L 8.23 4.15 0.00 1.79 1.72 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.22 4.15 0.00 2.19 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 2.43 2.34 0.00 22 W 8.36 4.10 0.00 3.39 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 23 E 8.15 4.15 0.00 2.24 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 2.52 2.65 0.00 24 E 8.22 3.88 0.00 2.07 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 2.33 2.57 0.00 25 E 7.29 4.18 0.00 1.84 1.79 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 2.40 2.41 0.00 26 N 7.78 4.51 0.00 1.44 2.00 0.00 0.00 7.31 7.17 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 27 G 7.56 3.93 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 0.00 0.00 0.00 28 T 8.04 4.26 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 29 P 0.00 4.53 0.00 2.17 2.09 0.00 3.88 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 30 K 8.12 4.60 0.00 1.71 1.72 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.35 7.81 31 T 8.42 4.15 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 32 N 8.93 4.84 0.00 2.74 2.51 0.00 0.00 6.66 7.43 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 33 F 9.03 5.21 0.00 2.92 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 34 E 9.45 4.64 0.00 2.04 2.01 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 2.19 2.26 0.00 35 V 8.56 4.73 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 0.54 0.00 0.00 0.89 0.00 0.00 36 T 8.59 4.71 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 1.19 0.00 0.00 37 F 8.61 5.52 0.00 3.03 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 38 Q 9.47 4.51 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 39 L 8.80 4.24 0.00 1.68 1.60 0.96 1.06 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 40 A 9.67 4.59 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 41 N 7.87 4.95 0.00 2.84 2.63 0.00 0.00 6.91 7.65 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 42 R 8.53 5.00 0.00 1.70 1.81 0.00 3.24 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 43 D 9.70 4.54 0.00 2.60 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.02 3.85 0.00 1.94 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 2.30 2.40 0.00 45 A 8.12 4.08 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.35 4.06 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 47 K 8.21 3.83 0.00 1.96 1.85 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.35 7.81 48 V 7.30 4.88 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 1.08 0.00 0.00 0.99 0.00 0.00 49 T 8.60 5.21 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 1.29 0.00 0.00 50 S 9.52 5.26 0.00 3.82 3.85 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 51 I 8.36 4.99 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.89 1.07 0.00 0.00 52 V 9.24 4.40 2.25 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 0.88 0.00 0.00 0.94 0.00 0.00 53 A 9.03 4.73 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 54 V 8.58 4.67 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 1.03 0.00 0.00 0.93 0.00 0.00 55 L 9.24 5.07 0.00 1.73 1.57 1.09 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 9.09 5.15 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.50 0.00 0.00 0.00 0.00 0.00 2.14 2.36 0.00 57 F 8.77 5.26 0.00 2.65 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 58 V 8.50 4.77 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 0.97 0.00 0.00 0.79 0.00 0.00 59 I 9.35 4.81 2.07 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.65 1.08 0.00 0.00 60 V 8.49 4.52 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 0.70 0.00 0.00 0.95 0.00 0.00 61 R 8.15 4.55 0.00 0.67 1.25 0.00 3.27 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.36 0.00 62 D 8.55 4.40 0.00 2.60 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 63 E 7.73 4.58 0.00 2.24 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 0.00 2.36 2.29 0.00 64 F 6.99 5.27 0.00 2.62 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 65 V 8.89 4.82 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 1.03 0.00 0.00 0.87 0.00 0.00 66 I 9.04 5.02 2.10 0.00 0.00 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 1.40 0.93 0.96 0.00 0.00 67 S 9.19 4.54 0.00 3.47 3.67 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 0.00 0.00 0.00 0.00 68 G 5.70 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.71 5.06 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 0.99 0.00 0.00 0.86 0.00 0.00 70 I 9.24 5.36 1.97 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.59 1.03 0.00 0.00 71 S 9.49 5.14 0.00 3.89 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 72 Q 8.92 4.28 0.00 2.14 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.61 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 *74 A 8.62 4.21 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 75 H 8.99 5.17 0.00 3.19 3.25 0.00 5.61 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.88 4.48 1.92 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 1.21 0.96 0.99 0.00 0.00 77 Q 9.08 4.51 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.12 0.00 0.00 0.00 0.00 0.00 2.56 2.69 0.00 78 G 9.39 3.94 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 0.00 79 R 7.66 4.64 0.00 1.78 1.80 0.00 3.33 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 80 L 8.23 4.56 0.00 1.58 1.57 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.30 3.94 1.80 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.28 0.50 0.00 0.00 82 N 8.77 4.49 0.00 2.64 2.82 0.00 0.00 6.96 7.66 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 83 E 7.47 4.61 0.00 2.01 1.92 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 2.24 2.21 0.00 84 P 0.00 3.01 0.00 2.27 2.13 0.00 3.52 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.04 0.00 85 S 7.80 4.23 0.00 3.98 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 86 E 7.85 4.23 0.00 1.95 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 0.00 2.26 2.20 0.00 87 F 7.65 4.71 0.00 3.05 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 88 S 9.69 4.46 0.00 4.03 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 89 Q 8.69 4.03 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.90 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 90 D 8.17 4.40 0.00 2.68 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 91 E 8.10 3.84 0.00 2.17 1.65 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 2.28 2.30 0.00 92 V 7.94 3.60 2.29 0.00 0.00 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 1.20 0.00 0.00 93 E 8.31 3.91 0.00 2.18 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 0.00 2.30 2.39 0.00 94 N 8.09 4.21 0.00 2.77 2.98 0.00 0.00 7.27 8.44 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 95 L 7.84 4.08 0.00 1.82 1.85 -0.05 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.40 4.13 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 97 A 7.67 3.85 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 2.30 2.11 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 99 L 7.77 3.97 0.00 1.77 1.71 0.97 0.71 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 0.00 100 L 7.76 3.75 0.00 1.56 0.98 0.47 -0.29 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 0.00 101 E 8.25 4.00 0.00 2.18 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 0.00 2.30 2.40 0.00 102 I 7.63 3.63 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.70 0.88 0.00 0.00 103 V 7.58 3.54 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 0.86 0.00 0.00 0.31 0.00 0.00 104 K 8.58 4.02 0.00 2.17 2.09 0.00 1.86 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.48 7.81 105 R 8.20 3.90 0.00 1.95 1.91 0.00 3.28 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 106 L 7.93 3.78 0.00 1.18 0.56 0.63 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.13 4.49 4.42 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 1.38 0.00 0.00 108 Y 8.03 4.13 0.00 3.13 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 0.00 109 E 8.28 3.98 0.00 2.01 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 0.00 2.62 2.47 0.00 110 V 8.05 3.42 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 0.64 0.00 0.00 0.83 0.00 0.00 111 T 8.01 3.57 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 0.72 0.00 0.00 112 E 7.89 4.51 0.00 1.82 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 2.19 2.08 0.00 113 I 7.15 3.65 1.73 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 1.39 0.70 0.83 0.00 0.00 114 A 7.83 3.98 0.97 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 0.00 115 L 7.88 4.33 0.00 1.75 1.75 1.07 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 116 D 7.52 4.41 0.00 2.74 2.67 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 0.00 0.00 0.00 0.00 117 R 7.19 4.66 0.00 1.82 1.72 0.00 3.21 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 118 P 0.00 4.41 0.00 2.00 1.99 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 119 G 7.91 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 0.00 0.00 0.00 120 V 8.54 3.64 2.17 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 1.12 0.00 0.00 1.08 0.00 0.00 121 T 8.23 4.78 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 1.53 0.00 0.00 122 L 8.34 3.92 0.00 1.30 0.83 1.25 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.10 4.34 0.00 1.78 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 2.25 2.16 0.00 124 F 8.36 4.60 0.00 2.92 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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.