NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4821 8.3349 116.7956 58.3694 64.7473 172.8400 5 N 5.1645 7.7765 120.7071 51.7062 42.4242 170.9422 6 T 4.8873 8.7413 116.3306 62.6207 71.0271 173.6015 7 L 4.8114 9.1320 128.4209 53.5139 45.2094 175.0877 8 T 5.1058 8.5136 120.9196 62.0408 71.1172 173.6334 9 V 4.6000 8.8470 119.4960 59.5604 35.8411 174.7452 10 Q 5.0800 8.6600 121.7967 54.5636 30.3285 175.3665 11 I 4.3392 8.7544 125.0325 60.4299 40.4450 175.6506 12 L 3.8081 10.1994 129.9766 56.2298 40.6208 175.2433 13 D 4.6281 7.9432 115.4701 55.0281 40.4690 175.0501 14 K 4.3840 7.6547 118.0825 55.2585 33.5639 174.7843 15 E 5.2014 8.0977 120.8225 55.0183 32.1673 174.7605 16 Y 4.5957 8.8193 121.7304 56.7168 42.2926 173.9406 17 C 5.1424 8.9558 122.6487 58.5031 29.4634 173.3056 18 I 4.3591 8.6323 125.3929 59.6587 39.3471 175.7363 19 N 5.0839 8.2298 123.2117 51.6563 36.2761 174.1655 20 C 4.4634 7.7550 121.7879 57.9919 33.9336 171.6667 21 P 4.6113 0.0000 0.0000 62.1662 32.1643 177.2765 22 D 4.3891 8.8357 120.4857 57.9285 40.7873 178.9579 23 D 4.5718 7.9482 115.3125 53.7609 39.4238 176.5489 24 E 4.6145 8.1567 119.4036 56.3792 32.0441 178.1559 25 R 3.8820 7.6722 117.9398 59.6640 30.1024 178.2873 26 A 4.0121 8.0624 119.4019 55.3094 18.2532 179.2944 27 N 4.2116 7.9553 114.2358 56.5619 38.8062 177.3120 28 L 3.9960 8.0471 120.3595 58.0500 41.6402 179.5640 29 E 4.0243 8.3584 118.3884 59.3258 29.3428 179.4488 30 S 4.0573 8.0469 112.9736 61.3088 62.4521 176.0308 31 A 4.0232 8.4050 123.6857 55.1995 18.0561 179.4253 32 A 3.8416 8.6180 119.6151 55.2253 18.2837 179.8192 33 R 3.8286 8.2384 117.4988 59.7226 30.2106 178.2249 34 Y 4.0301 8.4645 119.7555 60.4531 38.6068 177.3021 35 L 3.8453 8.4797 120.5970 58.3016 42.2899 177.7974 36 D 4.5835 8.0872 116.8346 57.5814 41.2166 178.3213 37 G 3.8055 7.7300 105.6451 47.6600 0.0000 175.7978 38 K 4.1403 7.5042 120.0190 56.3409 32.4848 179.6625 *40 R 4.2305 7.9712 119.2074 56.4774 32.4643 177.9388 41 E 3.9333 7.8701 117.2916 59.6907 29.1906 179.6503 42 I 3.7361 7.6910 118.4100 64.1273 37.1171 178.2337 43 R 4.0343 7.6933 118.6420 59.2906 30.1705 177.6565 44 S 4.3027 8.2334 112.3683 60.5120 63.4822 175.4293 45 S 4.8846 7.6030 118.5466 55.0326 61.0075 170.9927 46 G 4.0485 7.9230 112.1423 45.2238 0.0000 169.8503 47 K 4.4095 8.3895 123.7891 56.7527 36.0162 176.8289 48 V 4.2923 7.7159 110.8067 59.4508 33.2691 174.9339 49 I 4.1902 8.9660 125.8096 60.5813 38.2182 173.7853 50 G 3.5988 8.9769 111.7629 43.8669 0.0000 174.1271 51 A 4.0207 8.8849 128.2404 55.1485 18.4353 179.2403 52 D 4.3237 8.0179 117.3539 56.8138 39.4280 178.9566 53 R 3.9724 7.8116 118.0630 58.7515 30.1577 178.7135 54 V 3.7082 7.7191 117.4545 65.6672 31.7646 177.7015 55 A 4.1772 7.7767 120.4717 54.8188 18.1722 180.2557 56 V 3.4632 7.6813 113.6621 63.6842 31.3785 177.5499 *58 A 4.1943 8.0196 121.7698 51.6275 20.6139 179.7908 59 A 4.0964 7.9957 117.4893 55.0456 18.2907 179.9344 60 L 4.0181 7.8008 117.4822 57.8398 41.7160 179.3679 61 N 4.3489 8.0462 115.9611 56.5200 38.5579 177.3507 62 I 3.9476 7.8608 121.1220 64.6189 37.1048 178.7515 63 T 3.8475 7.7721 116.1286 67.0120 68.3055 176.0488 64 H 4.1139 8.6718 120.5027 59.5072 29.7466 176.7796 65 D 4.3682 8.8081 120.8261 57.4765 40.7431 178.6832 66 L 3.9907 7.8022 120.4126 57.8606 42.0100 178.9112 67 L 3.9584 7.9089 119.0985 58.2232 41.7628 179.0996 68 H 4.2269 8.4383 118.2262 59.0085 29.2451 177.2652 69 R 3.9039 7.8987 120.9234 58.7888 29.7711 178.4650 70 K 3.9099 8.0210 119.6064 59.4773 32.3811 178.2773 71 E 3.8608 8.4400 120.0389 59.5513 29.2600 178.8797 72 R 3.8772 7.8748 118.0916 58.8957 29.9252 177.9706 73 L 4.0663 7.4575 118.8984 57.4881 42.1868 178.3051 74 D 4.4075 8.2665 119.1849 57.0202 40.8602 178.4899 75 Q 4.1044 8.2025 118.5484 58.4453 28.7404 178.2096 76 E 4.0587 7.9127 119.8950 59.2567 29.5301 179.3391 77 S 4.1660 7.9193 115.4047 61.3670 62.7960 176.5821 78 S 4.1030 8.0671 116.2405 61.3859 62.1570 176.4228 79 S 4.4644 7.8967 117.8618 61.1694 62.9854 176.6076 80 T 3.9257 7.9538 119.3293 66.3503 68.1308 176.9464 81 R 3.9767 8.1784 120.2667 59.1747 29.5735 178.8885 82 E 4.0002 7.9617 118.2109 59.4991 29.4101 179.6310 83 R 4.0066 8.0190 118.1169 59.1110 30.0164 179.3196 84 V 3.6112 7.6245 117.8379 65.9550 31.5438 178.3927 85 R 3.9411 8.1582 117.9591 58.8468 29.7751 178.7186 86 E 3.8654 8.2057 119.3699 59.2639 29.7357 178.5674 87 L 3.9400 8.0678 120.4650 58.0315 41.9868 179.0417 88 L 3.9250 8.0318 118.9863 57.8355 41.6768 178.6127 89 D 4.3188 8.5278 118.3141 57.7105 40.8302 178.7860 90 R 3.9263 7.9577 117.1864 59.1768 30.1375 178.8563 91 V 3.7387 7.4903 116.9584 66.1919 31.6800 177.5805 92 D 4.5371 8.6643 116.9642 55.9179 40.9699 176.7963 93 R 4.3807 7.7622 119.3908 55.8008 31.0339 175.7252 94 A 4.1471 7.7191 125.4325 52.5082 19.0762 176.8225 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 4 S 8.33 4.48 0.00 3.88 3.96 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 5 N 7.78 5.16 0.00 2.60 2.72 0.00 0.00 6.91 6.17 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 6 T 8.74 4.89 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 1.23 0.00 0.00 7 L 9.13 4.81 0.00 1.70 1.50 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.51 5.11 4.26 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 1.24 0.00 0.00 9 V 8.85 4.60 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 0.82 0.00 0.00 1.02 0.00 0.00 10 Q 8.66 5.08 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 11 I 8.75 4.34 1.76 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.20 0.82 0.00 0.00 12 L 10.20 3.81 0.00 1.61 1.67 0.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.94 4.63 0.00 2.90 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 14 K 7.65 4.38 0.00 1.91 1.48 0.00 1.69 0.00 0.00 1.49 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.41 7.81 15 E 8.10 5.20 0.00 1.92 1.71 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 2.19 2.33 0.00 16 Y 8.82 4.60 0.00 2.95 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 17 C 8.96 5.14 0.00 2.85 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 18 I 8.63 4.36 1.90 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 1.25 0.53 0.93 0.00 0.00 19 N 8.23 5.08 0.00 2.61 2.79 0.00 0.00 7.23 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 20 C 7.76 4.46 0.00 3.02 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 21 P 0.00 4.61 0.00 2.22 1.95 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 22 D 8.84 4.39 0.00 2.70 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 23 D 7.95 4.57 0.00 2.78 2.75 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 24 E 8.16 4.61 0.00 2.17 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 2.21 2.38 0.00 25 R 7.67 3.88 0.00 1.99 2.02 0.00 3.14 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.99 0.00 26 A 8.06 4.01 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 27 N 7.96 4.21 0.00 3.00 2.86 0.00 0.00 7.14 6.74 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 28 L 8.05 4.00 0.00 1.68 1.73 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.36 4.02 0.00 2.13 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 2.34 2.33 0.00 30 S 8.05 4.06 0.00 3.99 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 31 A 8.40 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 32 A 8.62 3.84 1.37 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 33 R 8.24 3.83 0.00 2.12 2.22 0.00 3.14 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 34 Y 8.46 4.03 0.00 3.14 3.10 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 35 L 8.48 3.85 0.00 1.88 1.76 0.83 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.09 4.58 0.00 2.75 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 37 G 7.73 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 38 K 7.50 4.14 0.00 1.62 1.71 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.90 1.37 7.81 *40 R 7.97 4.23 0.00 2.02 1.99 0.00 3.11 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 41 E 7.87 3.93 0.00 2.02 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 2.29 2.56 0.00 42 I 7.69 3.74 1.84 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 1.38 0.63 0.89 0.00 0.00 43 R 7.69 4.03 0.00 1.79 2.08 0.00 3.26 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 44 S 8.23 4.30 0.00 3.92 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 0.00 45 S 7.60 4.88 0.00 3.90 3.79 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 46 G 7.92 4.05 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 0.00 0.00 0.00 47 K 8.39 4.41 0.00 1.74 1.74 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.49 7.81 48 V 7.72 4.29 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 0.79 0.00 0.00 0.92 0.00 0.00 49 I 8.97 4.19 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 1.34 0.54 0.91 0.00 0.00 50 G 8.98 3.60 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 51 A 8.88 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 52 D 8.02 4.32 0.00 2.89 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 53 R 7.81 3.97 0.00 1.95 2.03 0.00 3.49 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 54 V 7.72 3.71 2.23 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 0.79 0.00 0.00 1.01 0.00 0.00 55 A 7.78 4.18 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 56 V 7.68 3.46 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 1.00 0.00 0.00 0.97 0.00 0.00 *58 A 8.02 4.19 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.10 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.80 4.02 0.00 1.84 1.72 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.05 4.35 0.00 2.94 2.87 0.00 0.00 7.13 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 62 I 7.86 3.95 1.97 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 1.67 1.56 1.15 0.00 0.00 63 T 7.77 3.85 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 1.23 0.00 0.00 64 H 8.67 4.11 0.00 3.21 3.57 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.81 4.37 0.00 3.12 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 66 L 7.80 3.99 0.00 1.68 1.81 0.89 1.12 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 67 L 7.91 3.96 0.00 1.90 1.69 0.94 1.02 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 68 H 8.44 4.23 0.00 3.05 3.36 0.00 5.58 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 69 R 7.90 3.90 0.00 2.10 2.02 0.00 3.19 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 70 K 8.02 3.91 0.00 2.01 1.89 0.00 1.69 0.00 0.00 1.56 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.42 7.81 71 E 8.44 3.86 0.00 2.18 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 2.31 2.36 0.00 72 R 7.87 3.88 0.00 1.93 2.00 0.00 3.16 0.00 0.00 3.05 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 73 L 7.46 4.07 0.00 1.97 1.77 0.90 1.18 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 74 D 8.27 4.41 0.00 2.89 2.68 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 0.00 0.00 0.00 0.00 75 Q 8.20 4.10 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 76 E 7.91 4.06 0.00 1.95 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 2.41 2.48 0.00 77 S 7.92 4.17 0.00 3.93 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 78 S 8.07 4.10 0.00 4.00 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 79 S 7.90 4.46 0.00 4.11 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 0.00 80 T 7.95 3.93 4.39 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 1.21 0.00 0.00 81 R 8.18 3.98 0.00 2.06 1.97 0.00 3.12 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 82 E 7.96 4.00 0.00 2.11 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 2.33 2.64 0.00 83 R 8.02 4.01 0.00 1.98 1.98 0.00 3.28 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.78 0.00 84 V 7.62 3.61 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 1.03 0.00 0.00 1.06 0.00 0.00 85 R 8.16 3.94 0.00 2.10 1.96 0.00 3.41 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 86 E 8.21 3.87 0.00 2.29 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 0.00 2.30 2.35 0.00 87 L 8.07 3.94 0.00 1.92 1.81 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.03 3.92 0.00 1.98 1.69 0.92 0.82 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 89 D 8.53 4.32 0.00 2.95 2.68 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 0.00 0.00 0.00 0.00 90 R 7.96 3.93 0.00 1.95 1.98 0.00 3.22 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 91 V 7.49 3.74 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 0.83 0.00 0.00 0.95 0.00 0.00 92 D 8.66 4.54 0.00 2.82 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 93 R 7.76 4.38 0.00 2.02 2.08 0.00 3.33 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 94 A 7.72 4.15 1.19 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.