NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2373 8.2644 123.5835 51.5549 19.6541 177.5094 7 H 3.6441 8.8963 116.5042 57.5123 29.9159 172.6228 8 K 4.5365 8.4034 126.6049 55.8687 33.9913 176.6127 9 G 4.0102 8.8076 110.9310 45.9746 0.0000 172.6994 10 T 4.6607 8.7748 116.2009 61.3840 71.5999 173.9884 11 L 4.6991 8.5969 128.3891 54.1939 43.3490 174.7235 12 Y 4.9135 8.8288 125.8054 57.0527 39.7824 175.0011 13 V 4.6438 8.9531 125.2653 61.5255 33.3947 174.6117 14 V 4.6151 8.9029 129.4922 60.9796 33.5336 174.2775 15 A 4.9801 8.8835 130.4797 50.9794 19.3346 176.7277 16 T 4.5007 9.1297 113.5302 60.0394 70.8966 173.1461 17 P 4.5903 0.0000 0.0000 62.2245 32.3941 176.4993 18 L 4.2436 8.5184 118.8679 56.9656 42.8735 178.5908 19 G 4.1139 7.2874 102.8120 45.1906 0.0000 175.8356 20 N 4.5038 8.7447 124.4771 52.6518 39.3134 175.4277 21 L 4.1074 8.4593 125.0243 58.0823 41.8160 178.0433 22 D 4.7940 8.7504 116.6132 55.8102 40.9577 177.4240 23 D 4.5931 7.6191 120.5284 53.5933 38.8839 176.0954 *25 T 4.1797 7.5609 112.7865 60.8769 71.5552 174.3948 26 F 3.9512 8.7051 123.7398 61.6576 39.3015 177.3148 27 R 3.7185 8.1763 117.3078 59.3525 29.8406 178.0108 28 A 3.8220 7.7612 120.3049 55.2587 18.3906 179.8267 29 V 3.0179 7.3077 116.6374 65.9129 31.5317 177.7409 30 N 3.9670 7.7558 117.0233 56.6017 38.0910 177.0693 31 T 3.5772 7.6448 117.2242 66.4284 68.2961 176.5609 32 L 3.9585 7.3734 119.4346 57.9383 41.7273 179.4708 33 R 4.0398 7.7629 116.6616 58.7213 30.1056 177.9359 34 N 4.7208 7.6041 112.3445 51.9378 39.4280 175.3172 35 A 4.2177 7.0262 123.2353 51.8880 19.1125 178.2584 36 G 3.8982 8.5635 108.2001 49.2814 0.0000 173.7216 37 A 4.9775 7.7772 119.4312 50.8591 23.0763 175.1511 38 I 5.0236 8.9088 120.5757 59.4591 40.3730 174.5862 39 A 5.2555 9.0290 129.8503 50.9448 20.7734 175.8418 40 C 4.6327 8.4817 116.4548 57.2689 33.7534 172.6917 41 E 3.9258 8.1514 118.7241 55.7017 29.7308 178.0795 42 D 4.5555 8.3450 124.9393 53.1227 39.9554 175.0560 43 T 4.7078 7.2729 113.3049 58.4965 73.8004 174.5106 44 R 3.8795 8.5247 120.4462 59.7589 29.9492 178.4320 45 R 3.9112 7.9570 117.2078 59.6901 30.0936 179.0257 46 T 3.8962 7.4933 114.9233 66.6017 68.4294 176.7478 47 S 4.1124 7.9689 114.6599 61.3584 62.3235 176.3399 48 I 3.6938 7.9717 122.6685 64.1133 36.4964 178.0570 49 L 3.9400 7.9934 121.1303 58.2513 41.9395 179.0315 50 L 4.0924 7.9408 118.8325 57.7586 41.5967 179.5131 51 K 3.9588 8.2053 119.5690 59.6941 31.9164 178.1437 52 H 3.9158 8.1380 117.6707 58.7522 29.6679 176.2154 53 F 4.8923 7.5284 116.0272 56.2626 39.1274 175.8158 54 G 3.8435 7.8647 106.0594 46.6330 0.0000 174.6034 55 I 4.1593 8.1853 122.1961 59.9700 36.7233 175.4251 56 E 4.6041 8.5088 125.1601 55.5758 32.0766 177.3945 57 G 3.8550 8.9208 110.0184 45.4588 0.0000 173.3998 58 K 4.0769 7.2658 121.3665 55.5828 32.9085 176.5332 59 R 4.0865 8.6000 126.5856 56.5696 31.0183 174.8102 60 L 5.2580 8.5614 125.9229 52.9169 44.7311 175.9058 61 V 4.4509 8.9852 123.1999 61.1812 33.8336 174.3250 62 S 5.3184 8.7471 123.0797 57.0371 64.8738 172.9704 63 Y 4.8917 8.8686 123.0933 54.4594 40.1444 176.4454 *64 H 5.5936 8.6179 133.7993 55.7544 31.0215 172.4922 *68 E 4.3572 7.4880 120.6813 55.9641 31.5249 176.4744 69 E 3.9958 8.0637 119.1891 59.7510 29.5465 178.5031 70 R 3.8889 7.9845 118.3440 59.2467 30.2658 178.1828 71 A 4.2728 7.9188 121.5429 54.6192 18.4036 179.6329 72 V 3.5448 7.8811 116.8567 66.0326 31.5570 178.2658 73 R 3.8610 8.1509 118.4972 59.5058 29.9775 178.3515 74 Q 3.9890 8.3275 118.1187 59.0927 28.7142 179.3114 75 V 3.7049 7.8969 119.0078 66.0820 31.5288 178.1040 76 I 3.6977 7.9463 119.6938 64.4784 36.9156 178.3080 77 E 3.9669 8.4360 119.5184 59.2320 29.2548 179.3712 78 L 3.9934 8.0450 119.0320 57.7794 41.7426 179.5102 79 L 4.1236 8.0239 118.8772 57.9503 41.3784 179.2702 80 E 4.1403 8.2851 118.1128 58.8698 29.5956 177.7070 81 E 4.4321 7.7363 115.6753 56.0921 29.7799 177.0104 82 G 3.9761 8.0077 107.1036 45.6160 0.0000 173.1121 83 S 4.7008 8.1053 116.4257 57.0851 64.5700 173.7892 84 D 4.8036 8.7644 124.2473 54.3752 42.3204 175.2790 85 V 4.9659 8.6802 121.0040 61.1099 35.0030 173.8905 86 A 5.1122 8.8350 129.6033 50.4061 21.0899 175.3147 87 L 4.8803 9.2142 126.3469 54.0531 43.5420 175.4329 88 V 4.7949 8.7824 128.1815 62.0677 31.9748 175.1255 89 T 4.8712 8.8694 117.4909 59.8729 72.8364 172.1029 90 D 5.1279 8.7410 121.4126 51.9705 42.0645 177.0412 91 A 4.0479 8.9625 130.1304 55.0603 18.5453 178.6120 92 G 3.7512 7.9805 102.1551 47.3568 0.0000 173.7938 93 T 4.4623 7.5835 117.2648 60.9580 70.0532 172.9615 94 P 4.1497 0.0000 0.0000 62.9328 32.0211 176.8097 95 A 4.0630 8.9726 126.0829 55.3979 18.3742 179.6223 96 I 2.8663 7.3956 107.3749 63.2306 37.8015 177.0755 97 S 4.1847 7.6923 115.6591 59.2215 63.2687 173.2676 98 D 4.7426 7.6266 122.0997 51.4338 41.3856 173.9170 99 P 4.5524 0.0000 0.0000 63.9669 31.9441 175.1808 100 G 3.6506 8.9587 108.8156 46.3937 0.0000 174.3565 101 Y 4.2195 8.2377 121.1983 60.9279 38.7910 179.1640 102 T 4.2631 7.8044 108.9126 61.8653 69.0530 176.2063 *104 A 4.1556 8.1580 126.4765 53.4707 20.7927 179.8498 105 S 3.9470 8.2100 112.0821 61.7148 62.8089 176.9391 106 A 3.9263 8.2614 123.3704 55.1039 18.1393 179.5671 107 A 3.9190 7.8540 118.8701 55.3852 18.4238 179.2361 108 H 4.0295 8.4456 116.6992 59.4213 29.7823 177.2736 109 A 3.9461 8.1250 121.4382 54.9675 18.2085 178.5330 110 A 4.3002 7.8245 116.3640 51.8531 18.6640 178.1475 111 G 3.7835 7.9642 106.0039 46.0483 0.0000 173.9906 112 L 4.5169 7.6744 119.2776 52.7707 42.9533 175.1355 113 P 4.3697 0.0000 0.0000 62.8997 32.7233 175.1854 114 V 4.6762 8.2508 122.2062 61.1065 34.1565 174.6018 115 V 4.4581 8.7992 128.5501 60.1709 34.0767 172.8953 116 P 4.8488 0.0000 0.0000 62.8800 32.2951 175.8473 117 V 4.2502 8.4269 123.3478 60.5526 32.5728 174.0129 118 P 4.4477 0.0000 0.0000 62.9111 31.1835 176.2856 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 6 A 8.26 4.24 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 7 H 8.90 3.64 0.00 3.24 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.40 4.54 0.00 1.58 1.66 0.00 1.91 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.34 7.81 9 G 8.81 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 0.00 0.00 0.00 10 T 8.77 4.66 3.82 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 0.07 0.00 0.00 11 L 8.60 4.70 0.00 1.66 1.45 0.99 0.73 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 12 Y 8.83 4.91 0.00 2.98 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 13 V 8.95 4.64 2.11 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 1.04 0.00 0.00 0.92 0.00 0.00 14 V 8.90 4.62 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 0.87 0.00 0.00 0.94 0.00 0.00 15 A 8.88 4.98 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 16 T 9.13 4.50 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 1.26 0.00 0.00 17 P 0.00 4.59 0.00 2.30 2.13 0.00 3.81 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 2.02 2.03 0.00 18 L 8.52 4.24 0.00 1.67 1.78 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.29 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 20 N 8.74 4.50 0.00 2.74 2.71 0.00 0.00 6.91 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 21 L 8.46 4.11 0.00 1.29 1.65 0.63 1.16 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 22 D 8.75 4.79 0.00 2.79 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 23 D 7.62 4.59 0.00 2.86 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 *25 T 7.56 4.18 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 1.28 0.00 0.00 26 F 8.71 3.95 0.00 3.16 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 27 R 8.18 3.72 0.00 2.00 1.90 0.00 3.22 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 28 A 7.76 3.82 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 29 V 7.31 3.02 1.58 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 0.17 0.00 0.00 0.14 0.00 0.00 30 N 7.76 3.97 0.00 2.08 2.39 0.00 0.00 7.24 7.99 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 31 T 7.64 3.58 4.19 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 0.79 0.00 0.00 32 L 7.37 3.96 0.00 1.63 1.67 0.85 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.76 4.04 0.00 1.87 1.93 0.00 3.00 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 34 N 7.60 4.72 0.00 2.72 2.80 0.00 0.00 7.03 7.31 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 35 A 7.03 4.22 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 36 G 8.56 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 37 A 7.78 4.98 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 38 I 8.91 5.02 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 1.18 0.65 0.99 0.00 0.00 39 A 9.03 5.26 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 40 C 8.48 4.63 0.00 2.85 2.97 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 41 E 8.15 3.93 0.00 1.75 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 1.90 2.19 0.00 42 D 8.34 4.56 0.00 2.55 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.27 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 1.18 0.00 0.00 44 R 8.52 3.88 0.00 1.88 1.97 0.00 3.18 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 45 R 7.96 3.91 0.00 1.85 1.97 0.00 3.34 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 46 T 7.49 3.90 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 1.19 0.00 0.00 47 S 7.97 4.11 0.00 3.91 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 48 I 7.97 3.69 2.00 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 1.39 0.55 0.87 0.00 0.00 49 L 7.99 3.94 0.00 1.80 1.96 1.19 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.94 4.09 0.00 1.91 1.91 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.21 3.96 0.00 1.91 1.78 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 52 H 8.14 3.92 0.00 3.06 3.11 0.00 5.99 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.53 4.89 0.00 3.10 2.98 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 54 G 7.86 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 55 I 8.19 4.16 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.85 0.93 0.00 0.00 56 E 8.51 4.60 0.00 1.99 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 2.28 2.46 0.00 57 G 8.92 3.86 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 0.00 0.00 0.00 58 K 7.27 4.08 0.00 1.82 1.73 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.43 7.81 59 R 8.60 4.09 0.00 1.94 1.96 0.00 3.19 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 60 L 8.56 5.26 0.00 1.53 1.52 0.91 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 61 V 8.99 4.45 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 1.13 0.00 0.00 0.96 0.00 0.00 62 S 8.75 5.32 0.00 3.81 3.76 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 0.00 0.00 0.00 0.00 63 Y 8.87 4.89 0.00 2.97 2.97 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 *64 H 8.62 5.59 0.00 3.03 3.00 0.00 7.23 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *68 E 7.49 4.36 0.00 2.06 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 2.33 2.41 0.00 69 E 8.06 4.00 0.00 2.12 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 2.38 2.43 0.00 70 R 7.98 3.89 0.00 1.93 1.92 0.00 3.25 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 71 A 7.92 4.27 1.41 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 72 V 7.88 3.54 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 1.04 0.00 0.00 1.00 0.00 0.00 73 R 8.15 3.86 0.00 1.98 2.07 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 74 Q 8.33 3.99 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 75 V 7.90 3.70 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 1.03 0.00 0.00 1.02 0.00 0.00 76 I 7.95 3.70 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 1.65 0.81 0.89 0.00 0.00 77 E 8.44 3.97 0.00 2.17 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 2.33 2.49 0.00 78 L 8.05 3.99 0.00 1.89 1.73 0.94 0.43 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 79 L 8.02 4.12 0.00 1.82 1.68 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.29 4.14 0.00 1.96 2.18 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 2.31 2.39 0.00 81 E 7.74 4.43 0.00 1.98 1.97 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 2.31 2.46 0.00 82 G 8.01 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 83 S 8.11 4.70 0.00 3.96 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 84 D 8.76 4.80 0.00 2.73 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 85 V 8.68 4.97 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 1.14 0.00 0.00 0.95 0.00 0.00 86 A 8.84 5.11 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 87 L 9.21 4.88 0.00 1.78 1.75 1.10 0.65 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 88 V 8.78 4.79 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 0.87 0.00 0.00 0.97 0.00 0.00 89 T 8.87 4.87 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 1.33 0.00 0.00 90 D 8.74 5.13 0.00 2.86 2.61 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 0.00 0.00 0.00 0.00 91 A 8.96 4.05 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 92 G 7.98 3.75 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 0.00 0.00 0.00 93 T 7.58 4.46 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 1.22 0.00 0.00 94 P 0.00 4.15 0.00 2.12 1.97 0.00 3.61 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 95 A 8.97 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 96 I 7.40 2.87 1.52 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.48 0.52 0.00 0.00 97 S 7.69 4.18 0.00 3.98 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 98 D 7.63 4.74 0.00 2.72 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 99 P 0.00 4.55 0.00 2.26 2.04 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.06 0.00 100 G 8.96 3.65 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 0.00 0.00 0.00 101 Y 8.24 4.22 0.00 3.24 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 0.00 102 T 7.80 4.26 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 1.32 0.00 0.00 *104 A 8.16 4.16 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 0.00 105 S 8.21 3.95 0.00 3.85 3.80 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 0.00 106 A 8.26 3.93 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 0.00 107 A 7.85 3.92 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 0.00 108 H 8.45 4.03 0.00 3.24 3.40 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.13 3.95 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 0.00 110 A 7.82 4.30 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 0.00 111 G 7.96 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 0.00 0.00 0.00 112 L 7.67 4.52 0.00 1.63 1.54 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.37 0.00 2.05 2.10 0.00 3.45 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 1.96 2.00 0.00 114 V 8.25 4.68 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 0.73 0.00 0.00 0.90 0.00 0.00 115 V 8.80 4.46 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 1.18 0.00 0.00 0.83 0.00 0.00 116 P 0.00 4.85 0.00 2.14 2.05 0.00 3.81 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 2.00 1.96 0.00 117 V 8.43 4.25 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 0.74 0.00 0.00 0.97 0.00 0.00 118 P 0.00 4.45 0.00 2.09 1.97 0.00 3.77 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 2.04 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.