NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.6913 8.2714 118.2108 52.1948 39.0248 174.7868 12 G 3.5215 8.5973 104.7073 47.3146 0.0000 170.6665 13 V 3.6649 8.0186 120.5096 65.7871 32.0363 175.9099 14 H 4.2107 9.2664 118.4431 59.2727 29.6856 176.9019 15 D 4.2501 8.0136 120.6038 57.4619 40.1845 178.3021 16 F 3.9895 8.1806 121.0035 61.6459 39.2089 177.4191 17 I 3.7832 7.8826 118.7559 64.4177 37.0043 178.3161 18 L 3.9600 7.8555 119.8233 57.8497 41.5451 179.8001 19 V 3.5564 7.9183 118.2008 66.1063 31.4713 178.3110 20 R 3.9134 7.5885 116.5668 58.5906 29.8514 178.7972 21 A 3.9571 8.3532 121.4667 55.5239 18.4011 179.9117 22 T 3.9213 8.1194 107.9750 64.7026 68.9422 176.5847 23 A 4.0038 7.8462 123.5316 55.0729 18.3953 179.7108 24 I 3.7428 7.7786 118.3613 64.3471 37.1719 178.8286 25 V 3.6991 7.6649 118.7487 66.2194 31.4411 178.2264 26 L 4.1913 8.3854 118.7997 57.8488 41.3763 179.6625 27 T 3.9850 7.9524 115.8123 66.5366 68.3672 176.7750 28 L 4.1845 8.0342 120.6247 57.9209 41.6296 178.8798 29 Y 3.2006 8.3651 119.6493 60.4216 38.6487 178.1085 30 I 3.6878 8.1131 120.9342 64.3597 37.1874 178.4385 31 I 3.8117 7.8435 120.7737 64.3884 36.7562 177.9416 32 Y 4.1144 8.0617 120.3702 61.1115 38.8366 177.9373 33 M 3.9468 8.1469 120.0650 58.2287 31.9223 179.0024 34 V 3.7989 8.4021 119.1357 65.6938 31.4700 178.0544 35 G 3.7139 7.9337 104.7310 47.9519 0.0000 174.9184 36 F 3.9666 7.6137 123.1813 60.9146 39.0847 176.9578 37 F 3.6108 7.7778 115.5285 60.3312 38.8654 176.8045 38 A 4.4383 7.9854 117.4423 52.1748 19.9334 178.1469 39 T 4.6066 7.4166 107.5554 59.6282 69.0302 173.9904 40 S 4.3495 7.7690 114.3467 58.0195 68.2394 177.6951 41 G 3.5369 7.8804 110.2350 46.0338 0.0000 173.1441 42 E 3.7882 8.8240 121.4733 57.2864 29.8303 178.2402 43 L 4.3965 8.1767 126.3130 53.6599 40.6374 176.9264 44 T 4.1548 7.5947 115.8729 61.6641 70.0664 173.2711 45 Y 4.3184 8.8153 126.2943 60.7265 38.6304 178.5667 46 E 3.8243 8.4388 120.3328 59.4690 30.0416 179.2023 47 V 3.7731 7.8457 111.8692 63.8288 31.4622 178.3700 48 W 4.3469 8.2656 128.3102 60.6941 30.5169 177.9805 49 I 3.7885 7.7331 117.9792 63.4945 37.0913 178.0560 50 G 3.5563 7.8380 106.4301 47.5226 0.0000 175.2892 51 F 4.1261 8.0107 122.6605 60.7165 39.1337 176.4471 52 F 3.9934 7.3881 113.8749 57.7765 39.0382 176.7066 53 A 4.2653 7.2020 120.4029 52.1965 19.6369 177.8511 54 S 4.0600 6.9935 111.7751 57.8723 63.2783 174.9869 55 A 3.9903 8.6463 128.8474 55.1972 18.0903 179.7967 56 F 3.9158 7.9425 118.9608 61.6493 39.4337 177.6368 57 T 3.7256 7.7224 114.9163 66.2968 68.2673 176.6051 58 K 3.8204 7.8759 120.3610 59.4945 32.0933 179.4613 59 V 3.4329 7.5568 118.1141 66.0492 31.5092 177.7554 60 F 4.1945 7.7763 120.2988 61.6162 39.0890 177.2822 61 T 3.6025 8.1365 115.3994 66.5663 68.3003 176.8612 62 L 3.8779 7.8608 120.9279 57.4936 41.5662 179.2456 63 L 4.0337 8.3752 120.6446 58.1490 41.9657 178.9528 64 A 3.8799 7.7878 120.6796 55.0540 18.1672 179.6295 65 L 3.9794 7.7972 117.5201 57.8905 41.6966 179.7912 66 F 4.1100 8.3170 117.8895 60.6324 38.8296 177.9342 67 S 4.2458 8.2671 114.8870 61.6244 62.5535 176.8117 68 I 3.7985 8.2895 123.0535 64.0716 36.8382 177.9155 69 L 4.0138 8.0272 121.2581 58.4676 41.8666 179.2959 70 I 3.8315 7.7917 119.1327 64.5816 37.1222 177.9122 71 M 3.9674 8.5189 119.1663 58.8760 32.1185 178.1380 72 A 4.0954 8.7145 121.1118 54.7721 18.5913 179.3893 73 W 4.6297 8.4113 126.8741 60.9583 30.7520 178.2708 74 I 3.4157 7.8227 119.8627 64.0998 36.3841 178.7118 75 G 3.6087 8.2194 106.4633 48.2957 0.0000 175.7870 76 M 4.1900 8.6836 122.0729 57.5637 32.0017 178.6883 77 W 3.8528 8.0300 128.7181 60.3753 30.4777 178.1243 78 Q 3.7760 7.7081 118.5817 58.0582 28.4963 178.4487 79 V 3.5060 7.4908 119.2108 65.8561 31.5526 178.1645 80 L 3.9774 7.8592 119.0193 57.8520 41.5775 179.1805 81 T 3.7316 7.2579 108.0056 63.2420 68.3253 175.6862 82 D 4.2596 7.0827 120.9351 55.8912 41.6265 176.6788 83 Y 4.6379 7.4132 113.8711 57.8100 39.7981 175.6210 84 V 4.1894 7.8156 119.6670 61.0690 31.2523 175.4245 85 K 4.0511 8.5554 126.4992 58.5441 32.6213 177.0828 86 P 4.1916 0.0000 0.0000 62.8139 32.0176 176.3059 87 L 3.8704 8.6681 124.4003 58.2461 42.1863 178.4634 88 A 3.9894 8.0454 119.9735 55.4110 18.3131 179.1946 89 L 3.9244 7.8915 118.0601 58.2229 42.1003 179.0508 90 R 3.9157 8.0548 118.7572 59.4120 30.0961 178.4834 91 L 4.0854 8.2276 119.0202 58.0607 41.5818 179.4747 92 M 4.1140 8.0876 118.6958 58.4059 31.9133 178.8382 93 L 4.0988 8.0037 119.1363 57.8254 41.6788 179.5814 94 Q 4.3204 8.5537 118.4304 58.5334 28.5678 178.4240 95 L 3.8109 7.9755 121.6050 58.0830 42.1711 179.0536 96 V 3.5207 7.7301 118.1236 66.0830 31.4142 178.0173 97 I 3.6380 7.7430 119.3282 64.3350 36.9208 178.5676 98 V 3.1348 7.6462 119.1196 65.8142 31.2301 178.0156 99 V 3.4058 7.7496 117.8292 65.9928 31.2294 177.7503 100 A 3.7510 7.9119 120.3247 55.0719 18.0340 179.6107 101 L 3.4401 7.6491 117.4256 57.7931 41.6827 179.9731 102 V 3.4980 7.8396 118.4423 65.8296 31.4328 178.1925 103 V 3.6204 8.0012 118.5126 66.0523 31.3147 177.3799 104 Y 4.4428 8.0283 116.7128 61.3793 37.8489 179.0042 105 V 3.5493 7.6201 118.6064 66.0887 31.6296 178.0752 106 I 3.7877 7.9012 119.4682 64.7180 37.0154 177.8184 107 Y 4.3113 8.8482 120.8057 60.6447 38.5443 178.3940 108 G 3.5615 8.3691 106.8481 47.6626 0.0000 175.7610 109 F 3.8984 8.1782 120.0404 60.3434 38.7429 177.9753 110 V 3.6141 7.6021 116.6907 65.8846 31.3553 177.9854 111 V 3.5282 7.3566 117.1761 65.9142 31.5572 178.0857 112 V 3.8568 7.7796 114.4980 64.4287 31.3819 179.1672 *113 W 4.1440 8.1720 121.5884 59.8272 28.8142 178.7423 114 G 4.4042 7.4596 105.5958 45.7585 0.0000 173.5168 115 V 3.9722 7.4889 122.4349 62.7753 31.8775 174.6258 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 11 N 8.27 4.69 0.00 2.96 3.02 0.00 0.00 6.00 6.07 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 12 G 8.60 3.52 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 0.00 0.00 0.00 13 V 8.02 3.66 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 1.05 0.00 0.00 0.90 0.00 0.00 14 H 9.27 4.21 0.00 3.35 3.41 0.00 5.84 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 15 D 8.01 4.25 0.00 2.90 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 16 F 8.18 3.99 0.00 3.27 3.25 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 17 I 7.88 3.78 2.04 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 1.68 0.81 0.93 0.00 0.00 18 L 7.86 3.96 0.00 1.76 1.68 0.78 0.58 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 19 V 7.92 3.56 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 0.94 0.00 0.00 0.92 0.00 0.00 20 R 7.59 3.91 0.00 1.73 1.85 0.00 2.44 0.00 0.00 2.72 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.00 21 A 8.35 3.96 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 22 T 8.12 3.92 4.38 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 1.33 0.00 0.00 23 A 7.85 4.00 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 24 I 7.78 3.74 2.04 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 1.42 1.20 0.95 0.00 0.00 25 V 7.66 3.70 2.28 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 1.16 0.00 0.00 1.01 0.00 0.00 26 L 8.39 4.19 0.00 1.82 1.79 0.97 0.88 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 27 T 7.95 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 1.27 0.00 0.00 28 L 8.03 4.18 0.00 2.20 2.06 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.37 3.20 0.00 2.71 3.01 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 30 I 8.11 3.69 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 1.61 0.72 0.94 0.00 0.00 31 I 7.84 3.81 2.13 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 1.46 0.89 0.99 0.00 0.00 32 Y 8.06 4.11 0.00 3.25 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 33 M 8.15 3.95 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.74 0.00 34 V 8.40 3.80 2.19 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 1.10 0.00 0.00 0.94 0.00 0.00 35 G 7.93 3.71 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 0.00 0.00 0.00 36 F 7.61 3.97 0.00 2.21 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 37 F 7.78 3.61 0.00 3.08 3.01 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 38 A 7.99 4.44 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 39 T 7.42 4.61 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 1.15 0.00 0.00 40 S 7.77 4.35 0.00 3.53 3.24 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 41 G 7.88 3.54 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 0.00 0.00 0.00 42 E 8.82 3.79 0.00 1.96 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 2.32 2.32 0.00 43 L 8.18 4.40 0.00 1.61 1.62 0.89 0.96 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 44 T 7.59 4.15 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 1.36 0.00 0.00 45 Y 8.82 4.32 0.00 3.14 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 46 E 8.44 3.82 0.00 2.19 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 2.33 2.38 0.00 47 V 7.85 3.77 2.22 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 0.96 0.00 0.00 1.17 0.00 0.00 48 W 8.27 4.35 0.00 3.60 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 49 I 7.73 3.79 1.49 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 1.38 1.11 0.77 0.00 0.00 50 G 7.84 3.56 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 0.00 0.00 0.00 51 F 8.01 4.13 0.00 2.57 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 52 F 7.39 3.99 0.00 2.63 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 53 A 7.20 4.27 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 54 S 6.99 4.06 0.00 3.81 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 55 A 8.65 3.99 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 56 F 7.94 3.92 0.00 3.08 3.01 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 57 T 7.72 3.73 3.87 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 0.18 0.00 0.00 58 K 7.88 3.82 0.00 1.87 1.76 0.00 1.61 0.00 0.00 1.52 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.51 7.81 59 V 7.56 3.43 1.83 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 0.86 0.00 0.00 0.91 0.00 0.00 60 F 7.78 4.19 0.00 2.68 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.14 3.60 4.42 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 1.28 0.00 0.00 62 L 7.86 3.88 0.00 1.66 1.54 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.38 4.03 0.00 1.75 1.94 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.79 3.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.80 3.98 0.00 1.80 1.64 0.87 0.92 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 66 F 8.32 4.11 0.00 3.27 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 67 S 8.27 4.25 0.00 4.08 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 68 I 8.29 3.80 2.09 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 1.46 1.07 1.05 0.00 0.00 69 L 8.03 4.01 0.00 1.76 1.92 0.87 0.95 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 70 I 7.79 3.83 1.95 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 1.52 0.77 0.95 0.00 0.00 71 M 8.52 3.97 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.66 0.00 72 A 8.71 4.10 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.41 4.63 0.00 3.43 3.20 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 0.00 0.00 0.00 0.00 74 I 7.82 3.42 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.38 0.84 0.00 0.00 75 G 8.22 3.61 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 0.00 0.00 0.00 76 M 8.68 4.19 0.00 2.15 2.42 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.98 0.00 77 W 8.03 3.85 0.00 2.18 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 78 Q 7.71 3.78 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.73 0.00 0.00 0.00 0.00 0.00 2.60 2.67 0.00 79 V 7.49 3.51 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 1.21 0.00 0.00 0.98 0.00 0.00 80 L 7.86 3.98 0.00 1.55 1.61 1.04 0.58 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 81 T 7.26 3.73 3.68 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 0.11 0.00 0.00 82 D 7.08 4.26 0.00 2.15 1.56 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 83 Y 7.41 4.64 0.00 2.94 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 84 V 7.82 4.19 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 0.80 0.00 0.00 0.98 0.00 0.00 85 K 8.56 4.05 0.00 1.78 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.39 7.81 86 P 0.00 4.19 0.00 2.16 2.02 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 87 L 8.67 3.87 0.00 1.76 1.68 0.95 1.02 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 88 A 8.05 3.99 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 89 L 7.89 3.92 0.00 1.78 1.84 0.94 0.86 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 90 R 8.05 3.92 0.00 2.07 2.01 0.00 3.00 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 91 L 8.23 4.09 0.00 1.76 1.75 0.97 1.20 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 92 M 8.09 4.11 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.95 0.00 93 L 8.00 4.10 0.00 1.93 1.78 0.95 0.94 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 94 Q 8.55 4.32 0.00 2.45 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.85 2.76 0.00 95 L 7.98 3.81 0.00 1.88 1.85 0.86 0.67 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 96 V 7.73 3.52 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 0.96 0.00 0.00 0.99 0.00 0.00 97 I 7.74 3.64 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.68 1.09 0.00 0.00 98 V 7.65 3.13 1.74 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 0.66 0.00 0.00 -0.51 0.00 0.00 99 V 7.75 3.41 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 0.93 0.00 0.00 0.91 0.00 0.00 100 A 7.91 3.75 1.12 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 0.00 0.00 101 L 7.65 3.44 0.00 1.70 1.64 1.10 0.69 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 0.00 102 V 7.84 3.50 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 0.93 0.00 0.00 0.84 0.00 0.00 103 V 8.00 3.62 2.22 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 0.88 0.00 0.00 0.95 0.00 0.00 104 Y 8.03 4.44 0.00 3.18 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 0.00 105 V 7.62 3.55 2.03 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 0.44 0.00 0.00 0.70 0.00 0.00 106 I 7.90 3.79 1.94 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 1.37 0.79 0.95 0.00 0.00 107 Y 8.85 4.31 0.00 3.11 3.25 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 0.00 108 G 8.37 3.56 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 0.00 0.00 0.00 109 F 8.18 3.90 0.00 3.36 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 0.00 110 V 7.60 3.61 2.12 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 0.74 0.00 0.00 0.97 0.00 0.00 111 V 7.36 3.53 1.82 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 0.73 0.00 0.00 0.16 0.00 0.00 112 V 7.78 3.86 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 0.74 0.00 0.00 0.85 0.00 0.00 *113 W 8.17 4.14 0.00 2.60 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 0.00 0.00 0.00 114 G 7.46 4.40 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 0.00 115 V 7.49 3.97 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 0.81 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.