NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2474 8.1693 122.4921 54.9091 42.7852 175.5940 3 S 4.5840 7.8169 113.8954 55.9708 65.0246 173.0083 4 I 4.5103 8.6460 125.7251 60.2631 41.1528 177.8442 5 G 4.1046 9.8033 109.1238 44.4396 0.0000 171.8199 6 R 4.8661 8.6294 114.4376 55.0737 33.6612 175.6323 7 T 4.5357 8.5485 107.1382 62.3431 70.1506 173.7464 8 C 5.3742 7.6224 122.4889 58.1688 34.6710 172.8791 9 W 5.1574 9.8771 125.2817 54.8631 33.2782 174.0468 10 A 5.2334 8.7846 123.1115 50.3049 21.8872 175.6423 11 I 4.4435 9.1463 121.8613 59.3838 39.6202 176.6356 12 A 3.8464 8.8190 131.1766 54.2204 18.6733 176.8280 13 E 4.3287 7.4999 115.6062 54.9862 31.7412 175.9555 14 G 2.5951 9.1621 107.6598 45.6167 0.0000 171.9504 15 Y 5.2306 8.7868 125.6289 56.9500 43.2594 172.9591 16 I 4.3005 7.8661 127.8594 58.7197 39.0809 173.8221 17 P 4.4901 0.0000 0.0000 61.7108 31.7715 176.0465 18 P 4.1756 0.0000 0.0000 62.9632 30.8826 176.1604 *31 E 4.2239 8.1656 119.3903 56.6300 30.8759 174.4080 32 T 4.9388 8.2224 122.3036 61.8674 73.9292 173.3791 33 V 3.9909 8.1332 124.0252 61.3987 33.6370 174.0911 34 C 4.5796 8.6330 127.1717 58.8411 29.4704 173.1661 35 I 4.9259 8.4876 124.2696 59.2575 40.6641 174.3323 36 L 4.8104 8.6239 126.5238 53.3430 45.6152 174.6678 37 N 5.1679 9.3639 125.0528 51.8182 40.3027 173.7280 38 A 4.5200 8.6068 125.6199 51.9705 19.8386 177.0222 39 G 3.9438 7.8615 104.6151 45.9964 0.0000 174.2523 40 D 4.8208 8.6958 117.6512 54.2318 41.5358 176.2057 41 E 4.7428 7.6717 120.2241 53.8626 31.7289 175.2641 42 D 4.7394 8.8425 125.5355 54.8446 42.1477 175.5794 43 A 4.6563 9.2715 124.2238 50.8717 21.0873 175.8358 44 H 5.0569 9.7458 121.8182 54.9027 28.9971 174.8460 45 V 4.3933 8.5650 123.9348 62.3756 33.4629 174.6299 46 E 4.9954 9.2983 125.2984 54.9298 33.3739 174.3895 47 I 5.1089 8.7138 125.8976 59.9011 40.0142 174.8585 48 T 5.0316 8.9723 123.0318 61.8698 71.6257 173.0127 49 I 4.8995 8.0279 126.4669 60.0303 39.4550 174.4507 50 Y 4.9197 9.5870 125.0307 56.5401 41.0646 174.1822 51 Y 5.2532 8.4375 118.2413 56.3503 41.8988 175.6130 52 S 4.5457 9.1295 113.9713 59.6593 63.8275 174.7043 53 D 4.8202 8.2881 118.1282 52.5421 41.0889 175.3398 54 K 4.6453 7.8047 116.7874 54.2189 35.2951 175.2524 55 E 4.2662 8.4101 118.5932 55.4166 30.0074 175.3261 56 P 4.4074 0.0000 0.0000 63.0027 32.2237 176.0908 57 V 4.1408 8.9041 123.6557 62.9049 32.8085 174.9234 58 G 3.9808 7.9880 115.0518 41.0000 0.0000 171.4845 59 P 4.4802 0.0000 0.0000 63.2166 32.0007 176.2691 60 Y 4.5170 9.2081 124.0252 56.6593 38.5387 175.8102 61 R 4.6926 8.5301 123.3776 56.0787 31.5374 175.8828 62 L 4.4824 7.6596 120.4456 55.1581 46.3820 172.9402 63 T 5.2297 8.6800 119.5851 61.7124 72.2082 173.6326 64 V 4.2988 8.9371 125.4292 60.3111 33.6546 173.1680 65 P 4.8624 0.0000 0.0000 62.4293 32.0028 176.3909 66 A 4.1348 8.6288 124.2775 52.2428 18.9626 177.8522 67 R 3.8104 8.2278 118.8897 56.8485 28.4360 175.8235 68 R 4.7384 8.0025 114.2848 55.3463 35.7041 175.2656 69 T 4.8982 7.8530 114.6771 60.4276 70.9760 173.0192 70 K 4.1881 8.5435 119.6273 56.0604 36.1974 173.3535 71 H 4.9765 9.0861 125.3872 54.9660 30.4260 175.2057 72 V 4.1971 8.2681 122.0561 60.8284 34.2207 174.8898 73 R 4.5074 8.3901 128.1532 55.7945 30.8875 178.1095 74 F 4.1604 8.7142 121.8255 60.5966 39.2722 177.2338 75 N 4.3635 8.3441 117.9421 56.7437 38.7711 175.3263 76 D 4.5751 7.7235 115.4542 55.6040 41.2178 176.5658 77 L 4.4179 7.8997 121.5359 54.6455 42.5287 177.2306 78 N 5.0140 8.8661 116.2009 52.5061 40.9086 173.4176 79 D 5.0460 7.9661 117.9142 51.3159 43.2587 173.4628 80 P 4.1753 0.0000 0.0000 65.1946 31.4663 176.0956 81 A 5.1465 6.8843 116.2219 49.6508 22.1614 173.7438 82 P 4.9513 0.0000 0.0000 61.6967 32.1509 176.5406 83 I 4.0728 8.0934 122.0397 59.7245 37.6244 174.4175 84 P 4.1518 0.0000 0.0000 63.3100 31.4862 176.1915 85 H 4.3835 8.6489 120.1679 55.4883 29.7504 173.8537 86 D 4.2391 8.5219 117.2529 54.1380 39.9040 173.8967 87 T 4.8116 7.4504 112.1654 61.8906 72.6101 173.6776 88 D 5.1577 9.0949 126.8387 54.2512 41.2646 175.4542 89 F 5.2071 9.1721 118.3031 55.2057 42.1023 173.1177 90 A 4.6826 8.8144 118.9286 50.6381 22.9548 175.2569 91 S 5.2337 9.2224 113.1176 56.9174 67.4968 173.1275 92 V 4.8958 8.9611 120.2116 61.4074 34.4732 174.0275 93 I 4.9838 9.2413 129.3743 59.8778 39.2596 174.8831 94 Q 5.3332 9.0569 125.2458 54.4393 32.6178 174.4233 95 S 5.2730 9.0248 115.0397 56.4629 65.4520 173.7233 96 N 4.6606 8.9633 121.2585 54.9712 37.9114 175.2563 97 V 4.6419 7.6153 110.8553 58.2060 35.5496 174.1155 98 P 4.6636 0.0000 0.0000 63.1584 31.8757 175.8720 99 I 4.8839 9.0364 116.7960 59.2754 41.9992 173.8807 100 V 4.4540 8.4429 122.7323 61.0400 33.4634 174.5009 101 V 4.4055 5.6422 126.7201 60.8704 34.2699 174.3217 102 Q 4.4295 8.5019 127.1973 54.8098 32.7508 172.5610 103 H 5.2205 8.8767 126.4290 55.0376 31.3396 174.6478 104 T 4.3195 8.1472 115.1874 62.1193 68.3616 173.5495 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 2 L 8.17 4.25 0.00 1.63 1.69 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 3 S 7.82 4.58 0.00 4.10 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 4 I 8.65 4.51 1.92 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 1.37 0.70 0.96 0.00 0.00 5 G 9.80 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 0.00 0.00 0.00 6 R 8.63 4.87 0.00 1.72 1.86 0.00 2.29 0.00 0.00 2.62 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.97 0.00 7 T 8.55 4.54 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 1.29 0.00 0.00 8 C 7.62 5.37 0.00 2.95 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.88 5.16 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 10 A 8.78 5.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 9.15 4.44 1.95 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.96 0.93 0.00 0.00 12 A 8.82 3.85 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 13 E 7.50 4.33 0.00 1.83 1.63 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 2.11 2.19 0.00 14 G 9.16 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 0.00 0.00 0.00 15 Y 8.79 5.23 0.00 2.95 2.77 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 16 I 7.87 4.30 1.60 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 1.42 0.81 0.57 0.00 0.00 17 P 0.00 4.49 0.00 2.06 2.12 0.00 3.65 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 2.13 2.39 0.00 18 P 0.00 4.18 0.00 2.07 2.11 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 *31 E 8.17 4.22 0.00 2.25 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 0.00 2.66 2.99 0.00 32 T 8.22 4.94 4.17 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 0.00 0.00 0.00 1.15 0.00 0.00 33 V 8.13 3.99 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.36 0.00 0.00 34 C 8.63 4.58 0.00 2.71 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 35 I 8.49 4.93 1.77 0.00 0.00 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 0.91 0.73 0.78 0.00 0.00 36 L 8.62 4.81 0.00 1.65 1.37 0.96 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 37 N 9.36 5.17 0.00 2.76 2.88 0.00 0.00 6.71 7.70 0.00 0.00 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 A 8.61 4.52 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 39 G 7.86 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 40 D 8.70 4.82 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 41 E 7.67 4.74 0.00 1.94 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 2.14 2.28 0.00 42 D 8.84 4.74 0.00 2.55 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.27 4.66 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 44 H 9.75 5.06 0.00 3.09 3.27 0.00 5.63 0.00 0.00 0.00 0.00 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.57 4.39 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 1.03 0.00 0.00 0.95 0.00 0.00 46 E 9.30 5.00 0.00 1.97 1.87 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 2.27 2.32 0.00 47 I 8.71 5.11 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.84 0.97 0.00 0.00 48 T 8.97 5.03 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 0.92 0.00 0.00 49 I 8.03 4.90 1.77 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 0.86 0.82 0.33 0.00 0.00 50 Y 9.59 4.92 0.00 2.74 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 51 Y 8.44 5.25 0.00 3.06 2.90 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 52 S 9.13 4.55 0.00 4.04 4.07 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 53 D 8.29 4.82 0.00 2.76 2.81 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 54 K 7.80 4.65 0.00 1.84 1.79 0.00 1.35 0.00 0.00 1.53 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.20 1.30 7.81 55 E 8.41 4.27 0.00 2.00 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 2.34 2.29 0.00 56 P 0.00 4.41 0.00 1.66 1.01 0.00 3.63 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 57 V 8.90 4.14 2.39 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 1.07 0.00 0.00 1.21 0.00 0.00 58 G 7.99 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 59 P 0.00 4.48 0.00 1.96 2.08 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 60 Y 9.21 4.52 0.00 2.96 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 61 R 8.53 4.69 0.00 1.71 1.88 0.00 3.25 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 62 L 7.66 4.48 0.00 1.69 1.48 0.90 0.82 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 63 T 8.68 5.23 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 1.32 0.00 0.00 64 V 8.94 4.30 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 0.96 0.00 0.00 0.91 0.00 0.00 65 P 0.00 4.86 0.00 1.97 1.98 0.00 3.74 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 2.03 2.11 0.00 66 A 8.63 4.13 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 67 R 8.23 3.81 0.00 1.95 1.98 0.00 3.15 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 68 R 8.00 4.74 0.00 1.89 1.75 0.00 3.22 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 69 T 7.85 4.90 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 1.20 0.00 0.00 70 K 8.54 4.19 0.00 1.79 1.56 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.21 1.30 7.81 71 H 9.09 4.98 0.00 2.97 3.16 0.00 5.89 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 72 V 8.27 4.20 1.85 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 0.80 0.00 0.00 0.84 0.00 0.00 73 R 8.39 4.51 0.00 2.01 1.85 0.00 3.28 0.00 0.00 3.46 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 74 F 8.71 4.16 0.00 3.26 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 75 N 8.34 4.36 0.00 2.70 2.89 0.00 0.00 7.00 8.47 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 76 D 7.72 4.58 0.00 2.87 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 77 L 7.90 4.42 0.00 2.10 1.69 0.95 0.01 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 78 N 8.87 5.01 0.00 2.91 3.02 0.00 0.00 5.70 8.07 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 79 D 7.97 5.05 0.00 2.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.18 0.00 1.77 1.94 0.00 2.20 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 81 A 6.88 5.15 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 82 P 0.00 4.95 0.00 2.06 2.02 0.00 3.73 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 83 I 8.09 4.07 1.66 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.12 0.27 0.00 0.00 84 P 0.00 4.15 0.00 1.99 1.95 0.00 3.72 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 1.74 2.02 0.00 85 H 8.65 4.38 0.00 3.06 3.26 0.00 5.87 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.52 4.24 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.45 4.81 4.55 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 1.43 0.00 0.00 88 D 9.09 5.16 0.00 2.67 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 89 F 9.17 5.21 0.00 2.68 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 90 A 8.81 4.68 1.22 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 0.00 0.00 0.00 91 S 9.22 5.23 0.00 4.11 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 92 V 8.96 4.90 2.35 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 1.20 0.00 0.00 0.93 0.00 0.00 93 I 9.24 4.98 2.03 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.43 0.96 0.00 0.00 94 Q 9.06 5.33 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 95 S 9.02 5.27 0.00 3.90 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 96 N 8.96 4.66 0.00 2.79 2.97 0.00 0.00 5.85 7.68 0.00 0.00 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 V 7.62 4.64 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 0.71 0.00 0.00 0.93 0.00 0.00 98 P 0.00 4.66 0.00 1.98 2.24 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 99 I 9.04 4.88 1.91 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 1.39 0.70 1.01 0.00 0.00 100 V 8.44 4.45 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 0.81 0.00 0.00 0.99 0.00 0.00 101 V 5.64 4.41 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.08 0.00 0.00 102 Q 8.50 4.43 0.00 1.99 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.61 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 103 H 8.88 5.22 0.00 3.25 3.19 0.00 5.76 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.15 4.32 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 * Residues marked with a * may have inaccurate shift predictions.