NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.9596 8.3131 115.8391 56.2500 40.6082 174.1277 11 G 4.1501 8.5901 111.9294 43.9941 0.0000 170.9475 12 Y 4.5642 9.5530 127.8326 56.5528 41.3369 173.5757 13 D 4.1923 8.3385 127.4957 54.6988 38.9741 175.9587 14 E 3.9840 8.4601 119.6381 59.9041 29.3750 178.6048 15 E 3.9232 8.1313 117.6956 59.1857 29.7317 178.6606 16 K 3.7861 8.0176 119.0799 59.8411 32.0579 178.0804 17 V 3.5751 7.9671 118.2490 66.4224 31.3633 177.6185 18 N 4.5802 8.3302 117.7728 55.8726 38.6942 176.7207 19 R 3.8539 8.3336 120.7034 59.6817 30.3856 178.6881 20 I 3.9500 7.8906 119.4196 64.3761 36.5568 178.5822 21 Q 4.1248 8.5992 119.7413 58.8401 28.3101 178.9545 22 G 3.6451 8.3016 106.9963 47.6335 0.0000 175.2868 23 D 4.4544 8.0963 121.3175 57.5308 40.7330 179.2619 24 L 4.0680 7.7251 117.3716 56.8229 41.5621 178.4869 25 Q 4.5214 7.4349 115.8397 56.1398 29.0040 176.1416 26 T 4.3540 7.9440 110.2877 62.1039 69.5314 175.0140 27 V 4.3824 7.1919 121.0970 59.4024 34.5401 175.8141 28 D 4.5910 8.4010 122.3920 53.6322 40.2861 176.6626 29 I 3.9656 7.9599 127.6368 63.5301 37.4567 177.8862 30 S 4.2332 8.0772 115.1421 61.0500 63.1349 176.2336 31 G 3.9903 8.3495 110.5222 47.1683 0.0000 175.5932 32 V 3.6709 7.3501 119.9451 65.3610 31.5550 178.2716 33 S 4.1280 8.1544 114.2462 61.2827 62.8724 176.2817 34 Q 3.9578 8.4647 122.1275 58.9648 28.5393 178.7570 35 I 3.6738 7.7864 119.2051 64.2084 38.0665 177.9807 36 L 4.0131 8.2608 120.1288 57.5907 41.1920 179.4467 37 K 3.8791 7.9299 117.3274 59.4794 32.0968 178.6006 38 A 4.1496 7.7726 119.4018 55.7263 18.3028 179.6512 39 I 3.8485 7.9382 117.4566 64.0706 36.9543 178.5517 40 A 3.9306 7.8672 121.2105 53.7306 18.6362 177.7009 41 D 4.2803 7.4470 117.6405 54.9047 41.9137 176.4618 42 E 3.7764 8.7562 127.2987 59.8465 29.9096 179.0725 43 N 4.3379 8.1426 115.8681 56.1421 38.7512 177.7283 44 R 3.8751 8.4373 119.5329 58.8915 30.1013 178.9987 45 A 4.0057 8.4649 121.2433 54.9649 18.3891 179.6671 46 K 3.9331 8.1931 117.1390 59.7308 32.2890 179.4353 47 I 3.6722 7.8747 119.8019 64.8053 36.8588 178.2362 48 T 3.9205 7.9545 115.4471 67.1702 68.5655 175.5337 49 Y 4.2559 8.8229 121.0400 60.9567 38.8648 177.2708 50 A 3.8984 8.1284 121.3217 55.4369 18.3409 179.3171 51 L 4.1534 7.6228 115.4475 57.1687 42.0207 178.7238 52 C 4.3333 8.3293 116.8666 61.5549 28.6488 175.4428 53 Q 4.0650 7.5954 118.4946 56.7523 29.0191 175.9329 54 D 4.9085 7.3268 118.2015 51.9497 43.7126 175.0952 55 E 4.0037 8.8754 125.2615 58.8103 29.6618 176.4568 56 E 5.0764 7.7759 116.8727 54.8163 32.7806 173.5391 57 L 5.0849 9.2894 126.3696 53.1098 46.3134 175.8227 58 C 4.9769 8.5235 116.7616 56.8782 32.0876 174.8856 59 V 3.6219 8.5518 118.7912 65.0559 30.7339 178.2845 60 C 4.1085 8.0089 116.8506 62.6724 28.1694 175.0127 61 D 4.4217 8.2028 120.0020 57.7852 40.3635 178.9038 62 I 3.6494 7.9241 119.4302 64.7396 37.1573 178.5009 63 A 3.9948 8.3163 121.4548 54.7057 18.1667 179.1404 64 N 4.2510 8.3422 115.7834 56.3616 38.9881 176.9177 65 I 3.6897 8.0328 120.4763 64.6490 37.2547 177.3018 66 L 4.0482 8.0881 117.7552 55.1764 42.2604 176.9394 67 G 3.8121 7.6491 105.8028 46.8823 0.0000 171.9635 68 V 4.5419 8.3861 110.9683 59.0718 36.2090 176.2542 69 T 4.2650 8.0417 110.2129 61.2932 69.6748 175.8463 70 I 3.7283 8.2934 123.0478 64.4153 36.9002 178.5152 71 A 4.0854 7.5278 118.3529 54.4863 18.1262 179.2849 72 N 4.2158 8.1938 115.8951 56.7205 39.1227 176.6346 73 A 4.0174 8.1095 121.7371 55.7834 18.2286 179.7218 74 S 4.0894 8.0882 113.2446 62.0307 62.8729 175.7860 75 H 4.0271 8.0170 120.9457 59.4290 29.5300 176.5285 76 H 4.1106 8.3478 117.4452 59.3933 28.8016 177.7589 77 L 4.0532 8.4917 123.0209 58.2010 41.2796 180.5917 78 R 4.0878 8.2817 120.9776 62.0822 29.0760 181.5950 79 T 3.9908 8.0270 116.2413 67.3014 68.5351 176.1590 80 L 4.0038 8.3764 119.9732 58.0455 41.7886 178.9997 81 Y 4.5573 8.1970 120.7101 60.3423 38.5407 178.2740 82 K 3.7574 7.8359 117.6547 59.3026 32.2661 178.1358 83 Q 4.4389 7.3936 114.6592 54.9223 29.3511 176.6079 84 G 3.8090 8.1615 109.3374 45.5859 0.0000 175.8087 85 V 3.7507 7.6148 120.9989 65.2101 32.6534 176.3536 86 V 5.1084 7.8022 112.3003 59.5291 35.8733 174.3172 87 N 5.3533 9.0451 122.3509 51.7628 42.7007 172.2550 88 F 5.7609 7.0019 115.6145 55.0548 41.2912 175.1644 89 R 4.6451 9.0946 110.8160 56.8189 31.6058 175.6082 *96 L 4.3109 7.5973 118.9701 55.4701 42.3431 175.2147 97 Y 5.0970 9.5882 121.4070 57.8158 40.0249 174.3103 98 S 5.0305 9.8698 116.9331 57.0057 67.3398 173.0668 99 L 4.5294 8.5406 119.9098 54.6762 42.3598 178.2748 100 G 4.4802 9.0788 109.8925 45.4837 0.0000 173.7677 101 G 4.4590 7.2835 114.8234 44.2535 0.0000 173.6587 102 E 4.0415 8.0794 120.6699 58.1523 29.6272 178.8891 103 A 4.0955 7.9243 120.4793 55.2681 18.5936 179.3475 104 I 3.7729 7.7116 121.1783 65.0840 37.1285 179.5023 105 R 3.9043 7.8664 120.8982 61.5935 29.1949 180.4140 106 Q 4.1321 7.7927 118.7817 59.1175 28.6529 179.7845 107 I 3.9286 8.3325 120.6113 64.9755 37.2305 178.1982 108 M 4.0942 7.9610 118.6144 58.8885 32.2043 178.1680 109 M 4.1656 8.6775 119.3188 58.2883 32.1875 178.7043 110 I 3.7364 8.9518 120.8165 64.0609 36.9590 178.3361 111 A 4.0207 7.4914 120.6326 54.8593 18.6764 178.9440 112 L 3.9698 7.5734 116.0201 58.2556 41.8298 179.1856 113 A 4.0986 7.5493 118.4362 54.6646 18.6737 177.4632 114 H 3.9047 7.7424 117.5177 58.4324 30.4854 176.0294 115 K 4.1325 8.5502 126.3548 55.1283 31.3887 171.9789 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 10 F 8.31 4.96 0.00 3.04 3.26 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 11 G 8.59 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.55 4.56 0.00 2.94 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 13 D 8.34 4.19 0.00 2.21 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 14 E 8.46 3.98 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.77 0.00 15 E 8.13 3.92 0.00 2.04 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 2.40 2.44 0.00 16 K 8.02 3.79 0.00 1.77 1.98 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.52 7.81 17 V 7.97 3.58 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 1.04 0.00 0.00 1.01 0.00 0.00 18 N 8.33 4.58 0.00 3.17 2.81 0.00 0.00 6.40 7.34 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 19 R 8.33 3.85 0.00 1.94 2.17 0.00 3.15 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 20 I 7.89 3.95 1.88 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 1.52 1.25 0.91 0.00 0.00 21 Q 8.60 4.12 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 22 G 8.30 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 23 D 8.10 4.45 0.00 2.91 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 24 L 7.73 4.07 0.00 1.81 1.74 0.92 0.82 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 25 Q 7.43 4.52 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 26 T 7.94 4.35 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 1.27 0.00 0.00 27 V 7.19 4.38 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 0.79 0.00 0.00 0.93 0.00 0.00 28 D 8.40 4.59 0.00 2.80 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.96 3.97 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 1.69 0.64 0.91 0.00 0.00 30 S 8.08 4.23 0.00 4.04 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 31 G 8.35 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 32 V 7.35 3.67 2.15 0.00 0.00 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 1.01 0.00 0.00 33 S 8.15 4.13 0.00 4.11 4.10 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 34 Q 8.46 3.96 0.00 2.25 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 35 I 7.79 3.67 2.02 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 1.51 1.61 0.92 0.00 0.00 36 L 8.26 4.01 0.00 1.78 1.70 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.93 3.88 0.00 2.11 1.89 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.47 7.81 38 A 7.77 4.15 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.94 3.85 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 1.47 1.00 0.93 0.00 0.00 40 A 7.87 3.93 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.45 4.28 0.00 2.64 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 0.00 0.00 0.00 0.00 42 E 8.76 3.78 0.00 2.11 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 2.38 2.51 0.00 43 N 8.14 4.34 0.00 2.66 2.65 0.00 0.00 6.99 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 44 R 8.44 3.88 0.00 1.99 2.01 0.00 3.44 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 45 A 8.46 4.01 1.44 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 0.00 0.00 46 K 8.19 3.93 0.00 1.95 1.92 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.76 7.81 47 I 7.87 3.67 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.18 0.86 0.00 0.00 48 T 7.95 3.92 4.44 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 1.25 0.00 0.00 49 Y 8.82 4.26 0.00 3.00 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 50 A 8.13 3.90 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.62 4.15 0.00 1.84 1.78 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 52 C 8.33 4.33 0.00 2.72 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 53 Q 7.60 4.06 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 1.77 2.01 0.00 54 D 7.33 4.91 0.00 2.59 2.52 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 55 E 8.88 4.00 0.00 1.90 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 0.00 2.31 2.41 0.00 56 E 7.78 5.08 0.00 1.98 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 2.22 2.54 0.00 57 L 9.29 5.08 0.00 1.65 1.54 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 58 C 8.52 4.98 0.00 3.05 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 59 V 8.55 3.62 2.20 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 1.05 0.00 0.00 0.92 0.00 0.00 60 C 8.01 4.11 0.00 3.00 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 61 D 8.20 4.42 0.00 2.95 2.76 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 62 I 7.92 3.65 1.82 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 1.43 0.57 0.86 0.00 0.00 63 A 8.32 3.99 1.42 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 0.00 0.00 0.00 64 N 8.34 4.25 0.00 3.04 2.92 0.00 0.00 7.03 7.07 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 65 I 8.03 3.69 2.01 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 1.46 0.92 0.93 0.00 0.00 66 L 8.09 4.05 0.00 1.65 1.73 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.65 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 68 V 8.39 4.54 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 0.84 0.00 0.00 0.95 0.00 0.00 69 T 8.04 4.26 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 70 I 8.29 3.73 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 1.57 0.56 0.91 0.00 0.00 71 A 7.53 4.09 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 72 N 8.19 4.22 0.00 2.85 2.91 0.00 0.00 6.88 7.32 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 73 A 8.11 4.02 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 74 S 8.09 4.09 0.00 3.90 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 75 H 8.02 4.03 0.00 3.19 3.37 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.35 4.11 0.00 3.35 3.35 0.00 5.68 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 77 L 8.49 4.05 0.00 1.69 1.50 0.45 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.28 4.09 0.00 1.81 1.93 0.00 3.30 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 1.56 1.54 0.00 79 T 8.03 3.99 4.47 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 1.23 0.00 0.00 80 L 8.38 4.00 0.00 1.75 1.78 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 8.20 4.56 0.00 3.30 3.29 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 82 K 7.84 3.76 0.00 2.03 1.88 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.72 7.81 83 Q 7.39 4.44 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.97 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 84 G 8.16 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 85 V 7.61 3.75 2.20 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 0.95 0.00 0.00 1.01 0.00 0.00 86 V 7.80 5.11 2.40 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 0.83 0.00 0.00 1.22 0.00 0.00 87 N 9.05 5.35 0.00 2.80 2.57 0.00 0.00 6.58 7.87 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 88 F 7.00 5.76 0.00 2.60 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 0.00 0.00 0.00 0.00 89 R 9.09 4.65 0.00 1.86 2.01 0.00 3.10 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 *96 L 7.60 4.31 0.00 1.76 1.71 0.93 0.92 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 97 Y 9.59 5.10 0.00 3.09 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 98 S 9.87 5.03 0.00 3.75 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 0.00 99 L 8.54 4.53 0.00 1.65 1.64 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 100 G 9.08 4.48 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 0.00 0.00 0.00 101 G 7.28 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.04 0.00 2.09 1.95 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 2.38 2.44 0.00 103 A 7.92 4.10 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 0.00 104 I 7.71 3.77 2.07 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 1.39 0.71 0.93 0.00 0.00 105 R 7.87 3.90 0.00 1.82 1.93 0.00 3.29 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 106 Q 7.79 4.13 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.86 0.00 107 I 8.33 3.93 2.03 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 1.41 1.58 0.92 0.00 0.00 108 M 7.96 4.09 0.00 2.35 2.13 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 2.81 2.93 0.00 109 M 8.68 4.17 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.98 0.00 110 I 8.95 3.74 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 1.58 1.48 0.91 0.00 0.00 111 A 7.49 4.02 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 0.00 112 L 7.57 3.97 0.00 1.64 1.74 0.81 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.55 4.10 1.43 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 0.00 0.00 114 H 7.74 3.90 0.00 3.05 3.39 0.00 6.10 0.00 0.00 0.00 0.00 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.55 4.13 0.00 1.89 1.56 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.28 0.98 7.81 * Residues marked with a * may have inaccurate shift predictions.