NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 T 4.2872 8.1749 117.3736 63.2510 69.8905 172.9701 0 L 4.1965 8.3079 125.6108 52.7680 42.5114 174.9399 1 M 4.2403 9.4409 125.0610 56.3622 33.6793 174.8672 2 K 4.8689 8.8582 122.8520 54.8040 37.6375 174.6421 3 I 4.9137 8.2599 121.6436 59.0200 40.8398 175.0988 4 S 4.4883 9.1214 124.2369 58.1329 64.0883 175.2126 5 R 3.9306 8.6277 122.2557 59.6589 29.8147 179.1553 6 G 3.6328 8.0501 104.9086 47.8655 0.0000 175.1316 7 L 3.9005 7.6909 122.4913 57.5045 41.9983 178.6066 8 L 3.6339 7.6464 120.1070 58.2131 41.8924 179.2225 9 K 3.9235 7.8760 118.1443 59.7589 31.9688 179.4974 10 T 3.7980 7.8364 116.0150 66.4882 68.3205 176.8289 11 I 3.5656 7.8229 121.7437 64.4298 37.2112 178.4579 12 L 3.9930 8.0734 120.1194 57.9030 41.3731 179.5831 13 E 3.8747 8.4303 118.6442 59.2044 29.3965 179.2269 14 A 3.6913 7.8191 120.6475 54.7275 18.2622 179.6113 15 A 3.7233 7.5144 119.4298 55.0323 18.1765 180.0255 16 K 3.5537 7.3385 116.0680 59.5666 32.1442 179.5146 17 S 4.2022 7.8461 114.4637 61.4124 62.9613 176.2873 18 A 4.1132 8.0849 123.5561 53.9189 18.2309 177.2485 19 H 4.3027 7.5387 116.6304 56.5966 30.1909 172.9617 20 P 4.2039 0.0000 0.0000 63.1159 31.4775 175.7446 21 D 4.7801 8.0391 119.6762 53.6839 42.0348 175.6030 22 E 4.5892 8.4769 120.0368 55.9941 30.8113 175.8055 23 F 5.1009 9.4243 125.6230 56.5985 42.0345 174.1593 24 I 4.5435 7.7869 124.0722 59.3895 41.2643 173.4482 25 A 4.1254 8.2109 128.7263 51.0873 23.3068 174.6619 26 L 4.8967 8.5162 119.2046 53.5046 44.1370 176.3998 27 L 4.9599 8.7640 122.3234 53.9762 44.5628 175.4904 28 S 3.6269 7.5379 115.2258 57.7563 66.6981 173.6780 29 G 4.4478 6.2863 105.9958 46.2716 0.0000 171.2645 30 S 4.6904 8.0414 115.9579 57.3083 65.6284 175.4216 31 K 4.0707 9.6209 127.5051 57.3024 30.2968 176.1198 32 D 4.9472 8.9945 123.5913 54.3864 43.4116 176.3794 33 V 4.8316 7.9241 118.4216 61.4919 35.1610 173.9678 34 M 4.6724 9.5052 129.6279 54.7822 33.0128 176.4770 35 D 4.9711 8.4601 122.5676 52.7043 41.8515 174.0722 36 E 4.9456 8.3819 118.5524 55.2977 33.5043 173.3198 37 L 5.1236 8.5563 127.3397 53.2920 44.9382 175.3074 38 I 4.6478 8.6816 126.1704 59.5658 40.5884 174.1586 39 F 4.9088 9.1976 125.7951 55.6865 40.7528 175.2484 40 L 4.5821 8.4488 124.6413 52.1559 42.1112 174.8884 41 P 4.1639 0.0000 0.0000 65.1423 31.2765 176.0163 *60 M 4.1216 7.7956 118.0398 55.1580 32.7578 174.4212 61 K 4.2653 8.6056 126.0896 55.6994 32.9619 176.3592 62 V 4.4796 8.2789 123.3791 61.0212 33.6657 175.3273 63 F 4.8306 9.0439 126.8736 58.2647 39.8022 176.0949 64 G 4.8328 7.2411 106.1544 45.7556 0.0000 170.4325 65 T 5.2343 7.6212 110.1999 60.1089 73.2493 173.5286 66 V 5.6653 8.6381 120.7102 60.8181 34.9023 173.3739 67 H 5.8719 9.1107 118.7681 53.8766 32.3094 171.9604 68 S 5.5699 8.7594 113.1557 57.0859 66.0073 172.8321 69 H 5.4825 9.2571 118.2494 53.4453 31.1120 173.2617 70 P 5.1835 0.0000 0.0000 63.6354 31.6820 175.9864 71 S 4.8089 7.6599 113.7304 55.7938 65.5469 173.6255 72 P 5.0840 0.0000 0.0000 62.4453 30.3595 175.9405 73 S 4.7417 8.4050 113.7918 56.9474 63.9366 173.5441 74 C 4.6646 8.7060 123.9056 59.7096 28.6284 174.1668 75 R 4.2162 7.5675 120.2285 55.2765 30.2143 174.9632 76 P 4.3746 0.0000 0.0000 62.5375 32.0859 176.3810 77 S 4.6133 9.6606 118.0131 56.6677 65.2813 174.9341 78 E 3.8260 8.7984 120.1647 60.0726 28.9804 179.8146 79 E 4.0126 7.6256 117.8722 59.3269 29.4484 178.9945 80 D 4.0389 7.7802 119.0370 57.3402 40.5717 178.9553 81 L 3.7165 6.8494 116.8169 57.4542 41.3283 179.1527 82 S 4.2305 7.6132 112.8399 60.7632 62.4233 175.7887 83 L 4.0261 8.0549 123.5744 58.2754 41.4722 178.8453 84 F 3.9815 8.7969 117.9273 59.9157 38.5765 176.5564 85 T 4.5873 7.3471 106.7266 61.7403 68.9808 175.1496 86 R 4.2894 8.1827 120.3310 56.7874 32.7719 175.3089 87 F 4.4398 8.2383 116.9950 56.2019 39.7938 175.8554 88 G 4.0893 8.6054 115.0426 44.8600 0.0000 171.2280 89 K 4.3193 8.4473 115.3729 56.7950 34.2485 176.2377 90 Y 4.9604 8.2314 118.4013 56.3467 40.7098 174.7610 91 H 5.2299 9.1061 120.5314 54.2244 32.5969 172.3357 92 I 5.1247 9.0410 125.3050 59.9330 39.5335 174.9497 93 I 5.0983 9.0634 126.8299 59.5745 40.1897 174.7172 94 V 5.2657 8.9759 127.0288 61.4175 34.6815 173.9561 95 C 5.4696 9.2043 120.1200 56.2102 34.0234 172.4015 96 Y 2.9010 7.9333 120.7338 56.9128 39.2673 174.6700 97 P 3.0588 0.0000 0.0000 61.9813 32.0147 175.4785 98 Y 3.6709 7.5650 115.2644 59.6729 35.8463 169.1732 99 D 5.2778 7.5141 119.2958 51.5521 42.2612 176.5753 100 E 4.1833 8.8488 117.6059 59.2810 29.3648 177.9381 101 N 4.9581 8.3664 114.1633 53.2284 39.1667 174.5976 102 S 4.8409 8.4549 114.1737 58.1502 63.2706 173.5364 103 W 5.9112 7.6330 115.6228 55.1675 31.4248 173.9484 104 K 4.4109 9.2269 118.7208 55.0801 36.6625 174.7461 105 C 5.3720 8.2901 121.6812 58.0694 34.6701 172.0943 106 Y 5.3555 9.1094 121.5600 56.4954 42.6027 174.4963 107 N 5.6037 8.4908 118.9028 50.6201 40.0765 175.6202 108 R 4.2238 8.6649 116.1330 58.8306 30.0676 177.8449 109 K 4.3068 8.3180 114.1835 56.0668 32.1365 177.2790 110 G 4.1655 8.6288 107.0248 46.0308 0.0000 173.9647 111 E 4.3914 8.6268 119.7404 55.2735 30.3241 175.6961 112 E 4.2828 8.7410 123.8483 56.3131 30.3250 175.9698 113 V 4.3980 8.3724 126.7953 60.8435 34.4909 174.6183 114 E 4.1227 8.8291 128.5268 55.6485 29.9616 175.7312 115 L 4.6494 8.4207 129.9321 53.1983 43.3440 175.5049 116 E 4.4655 8.5273 125.8649 56.0170 31.2911 175.7831 117 V 4.6964 8.3000 121.8828 61.7037 33.3150 175.2754 118 V 4.0959 8.5236 128.2818 61.6172 32.6160 175.8466 119 E 4.1890 8.7080 126.7473 56.7028 29.4830 176.6785 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 T 8.17 4.29 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 1.20 0.00 0.00 0 L 8.31 4.20 0.00 1.72 1.63 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 1 M 9.44 4.24 0.00 1.78 1.73 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.43 0.00 2 K 8.86 4.87 0.00 1.69 1.70 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.55 7.81 3 I 8.26 4.91 1.79 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.52 0.91 0.00 0.00 4 S 9.12 4.49 0.00 3.87 3.95 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 5 R 8.63 3.93 0.00 2.05 1.96 0.00 3.17 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 6 G 8.05 3.63 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 0.00 0.00 0.00 7 L 7.69 3.90 0.00 1.73 1.74 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.65 3.63 0.00 1.84 1.51 0.90 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.88 3.92 0.00 1.95 1.95 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 10 T 7.84 3.80 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 1.21 0.00 0.00 11 I 7.82 3.57 1.92 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 1.62 0.96 0.95 0.00 0.00 12 L 8.07 3.99 0.00 1.74 1.88 0.98 1.03 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 13 E 8.43 3.87 0.00 2.01 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 2.48 0.00 14 A 7.82 3.69 0.59 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 0.00 0.00 15 A 7.51 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.34 3.55 0.00 1.77 1.80 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.19 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.52 1.56 7.81 17 S 7.85 4.20 0.00 3.86 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 18 A 8.08 4.11 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.54 4.30 0.00 3.29 3.47 0.00 5.95 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.20 0.00 2.16 2.01 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 21 D 8.04 4.78 0.00 2.85 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 22 E 8.48 4.59 0.00 1.93 2.06 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 2.48 2.39 0.00 23 F 9.42 5.10 0.00 3.10 2.92 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 24 I 7.79 4.54 1.71 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.95 0.78 0.00 0.00 25 A 8.21 4.13 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.52 4.90 0.00 1.52 1.51 0.81 0.27 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 27 L 8.76 4.96 0.00 1.68 1.57 1.04 0.78 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 28 S 7.54 3.63 0.00 3.64 3.58 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 0.00 0.00 0.00 0.00 29 G 6.29 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.04 4.69 0.00 3.90 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 31 K 9.62 4.07 0.00 1.95 1.68 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.48 7.81 32 D 8.99 4.95 0.00 2.60 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 33 V 7.92 4.83 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 0.98 0.00 0.00 0.94 0.00 0.00 34 M 9.51 4.67 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.64 0.00 35 D 8.46 4.97 0.00 2.65 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 36 E 8.38 4.95 0.00 1.97 1.67 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 2.13 2.22 0.00 37 L 8.56 5.12 0.00 1.70 1.63 0.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.68 4.65 1.79 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 1.21 0.49 0.91 0.00 0.00 39 F 9.20 4.91 0.00 2.86 3.03 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 40 L 8.45 4.58 0.00 1.57 1.62 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.16 0.00 2.19 2.22 0.00 3.83 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 2.01 1.99 0.00 *60 M 7.80 4.12 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 61 K 8.61 4.27 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.45 7.81 62 V 8.28 4.48 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 1.06 0.00 0.00 1.03 0.00 0.00 63 F 9.04 4.83 0.00 3.06 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 64 G 7.24 4.83 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 0.00 0.00 0.00 65 T 7.62 5.23 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 1.36 0.00 0.00 66 V 8.64 5.67 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 0.52 0.00 0.00 1.07 0.00 0.00 67 H 9.11 5.87 0.00 3.22 3.26 0.00 5.58 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.76 5.57 0.00 4.29 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 0.00 69 H 9.26 5.48 0.00 3.17 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 5.18 0.00 2.23 2.45 0.00 3.44 0.00 0.00 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 71 S 7.66 4.81 0.00 3.97 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 72 P 0.00 5.08 0.00 2.09 2.18 0.00 3.66 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 73 S 8.41 4.74 0.00 3.78 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 74 C 8.71 4.66 0.00 3.10 3.14 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 0.00 0.00 0.00 0.00 75 R 7.57 4.22 0.00 1.80 1.88 0.00 3.39 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.79 0.00 76 P 0.00 4.37 0.00 1.74 1.43 0.00 3.53 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 0.00 77 S 9.66 4.61 0.00 3.84 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 78 E 8.80 3.83 0.00 1.97 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 2.36 2.38 0.00 79 E 7.63 4.01 0.00 1.77 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 2.28 2.45 0.00 80 D 7.78 4.04 0.00 2.43 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 0.00 0.00 0.00 81 L 6.85 3.72 0.00 1.67 1.61 0.65 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.61 4.23 0.00 3.83 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 83 L 8.05 4.03 0.00 1.73 1.82 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.80 3.98 0.00 2.93 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 85 T 7.35 4.59 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 1.33 0.00 0.00 86 R 8.18 4.29 0.00 2.04 1.87 0.00 3.23 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 87 F 8.24 4.44 0.00 3.15 3.06 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 88 G 8.61 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 0.00 0.00 0.00 89 K 8.45 4.32 0.00 1.52 1.47 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.44 7.81 90 Y 8.23 4.96 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 91 H 9.11 5.23 0.00 1.84 2.33 0.00 5.60 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 9.04 5.12 1.95 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 1.50 1.12 1.09 0.00 0.00 93 I 9.06 5.10 2.18 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 1.26 1.12 0.77 0.00 0.00 94 V 8.98 5.27 2.36 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 1.41 0.00 0.00 1.11 0.00 0.00 95 C 9.20 5.47 0.00 3.31 3.16 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 96 Y 7.93 2.90 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 97 P 0.00 3.06 0.00 1.80 1.36 0.00 3.84 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.82 0.00 98 Y 7.57 3.67 0.00 3.17 3.03 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 99 D 7.51 5.28 0.00 2.92 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 0.00 100 E 8.85 4.18 0.00 2.05 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 0.00 2.38 2.40 0.00 101 N 8.37 4.96 0.00 2.70 2.72 0.00 0.00 6.94 7.59 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 0.00 102 S 8.45 4.84 0.00 4.12 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 0.00 103 W 7.63 5.91 0.00 3.56 3.06 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 0.00 104 K 9.23 4.41 0.00 1.73 1.21 0.00 1.70 0.00 0.00 1.51 0.00 0.00 2.72 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.11 1.26 7.81 105 C 8.29 5.37 0.00 3.23 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 0.00 106 Y 9.11 5.36 0.00 2.71 2.92 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 0.00 107 N 8.49 5.60 0.00 2.78 2.87 0.00 0.00 6.88 7.81 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 0.00 108 R 8.66 4.22 0.00 1.85 2.11 0.00 3.27 0.00 0.00 3.06 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.66 0.00 109 K 8.32 4.31 0.00 1.90 1.87 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.45 7.81 110 G 8.63 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 0.00 0.00 0.00 0.00 111 E 8.63 4.39 0.00 2.18 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 2.37 2.30 0.00 112 E 8.74 4.28 0.00 1.99 1.80 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 2.08 1.89 0.00 113 V 8.37 4.40 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 0.83 0.00 0.00 0.94 0.00 0.00 114 E 8.83 4.12 0.00 1.97 1.86 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 2.27 2.36 0.00 115 L 8.42 4.65 0.00 1.77 1.83 0.94 1.17 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 0.00 116 E 8.53 4.47 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 117 V 8.30 4.70 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 0.85 0.00 0.00 1.19 0.00 0.00 118 V 8.52 4.10 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 0.90 0.00 0.00 0.94 0.00 0.00 119 E 8.71 4.19 0.00 2.01 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 0.00 2.32 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.