NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 37 S 4.4364 8.1927 115.2941 58.3158 64.6545 175.5117 38 L 3.8956 7.8271 121.1637 57.2622 41.9890 177.3114 39 L 3.9221 8.0979 120.1489 58.1588 42.2494 178.3905 40 R 3.9573 7.8050 117.4110 59.2884 30.1879 178.2462 41 R 4.1826 7.9194 116.9105 59.1880 30.3227 178.4876 42 A 4.3814 8.5373 120.9556 55.0785 18.2617 179.5081 43 E 4.0688 8.0699 114.8744 57.0609 28.8875 177.8297 *45 Y 4.8146 7.7767 119.4633 57.3560 40.5810 176.9546 46 Q 3.9425 8.5744 119.4576 58.9555 29.3579 176.5396 47 D 4.4401 8.2002 116.7521 57.4812 41.4862 176.1293 48 Y 4.4472 7.7437 117.7629 57.9916 38.3702 176.5728 *50 K 4.4208 8.2581 120.5712 55.7168 33.7700 176.4348 51 Q 4.1727 7.7867 114.8019 56.7128 29.2348 176.2509 52 V 3.6035 7.3649 119.5829 62.1022 31.9162 173.7676 53 P 4.3484 0.0000 0.0000 62.2971 31.9050 176.0760 54 I 3.5992 7.8590 122.7433 60.1556 37.7326 174.6115 55 P 4.1852 0.0000 0.0000 62.5499 31.7292 177.0149 56 T 4.0893 7.9186 111.8977 60.1816 67.4575 172.4600 57 N 4.7449 7.8752 125.0080 52.3417 40.3005 172.6503 58 R 4.4807 8.2342 125.3037 55.4549 31.4042 176.3176 59 G 4.3508 8.8765 116.6062 46.5833 0.0000 173.1682 60 S 4.7807 8.1245 112.3246 55.9532 65.3303 172.9487 61 L 4.4786 8.4022 127.7299 54.0192 43.9070 175.3945 62 I 4.4327 8.2332 127.5173 58.5126 38.1683 173.7141 63 P 4.6059 0.0000 0.0000 62.9220 32.1892 176.0928 64 F 4.8676 8.7790 114.4703 56.4249 40.5152 174.6660 65 T 4.3485 8.4264 110.2233 60.8966 69.8326 174.0248 66 S 4.6438 7.5833 116.3932 55.9315 67.2871 174.7356 67 W 4.2886 9.8658 123.4979 60.0234 28.8493 179.2286 68 V 3.8057 8.7106 118.5218 65.9530 30.9693 178.3617 69 G 3.6757 8.3213 105.6232 47.6065 0.0000 175.4362 70 L 3.9737 8.0222 122.1678 57.9609 42.1669 178.8453 71 S 4.1805 8.1536 113.2205 61.5591 63.0307 176.3169 72 I 3.9553 7.9494 123.2818 64.0876 36.7541 179.4982 73 S 4.4229 8.0817 113.7964 58.9307 62.5849 176.4975 *75 K 4.5993 7.9280 122.4767 56.9245 33.9258 178.4385 76 Q 4.0317 8.3689 116.4212 59.1421 28.8128 177.9702 77 L 4.0918 8.2792 116.8329 57.7554 41.6273 178.0481 78 Y 4.2919 8.2278 113.6240 57.6624 38.7544 175.1746 79 G 4.0367 8.0949 107.7133 47.1180 0.0000 173.4698 80 Q 4.8244 7.8504 116.0992 53.0391 32.7459 174.0419 81 P 4.9529 0.0000 0.0000 62.3911 32.7237 175.2229 82 L 5.1234 8.4615 118.2960 51.9985 44.6278 176.8820 83 H 4.6537 9.5334 120.4821 56.1337 31.8277 175.9591 84 Y 4.9236 9.0038 129.9927 61.3325 38.8426 179.1918 85 L 3.8734 8.5233 119.3474 57.7805 41.7562 179.5359 86 T 3.7446 7.8411 115.3319 66.6847 68.6378 176.1804 87 N 4.4372 8.3128 118.5480 56.3947 38.5873 177.6437 88 V 2.8977 7.4069 119.4387 65.6461 31.4355 177.9146 89 L 3.5512 7.5076 120.0795 57.8114 41.8142 178.9193 90 L 3.6727 7.7374 119.1674 57.6680 41.4631 179.2636 91 Q 4.1346 8.0283 119.2862 59.2251 29.0220 178.3730 92 R 4.1251 8.0217 119.1466 59.1569 29.8610 179.0710 93 W 4.4799 8.0761 117.8720 59.8797 29.4143 177.9722 94 D 4.8856 8.6686 118.8736 57.8333 40.4081 178.8353 95 Q 4.4860 8.7355 118.9472 59.1780 28.4911 179.1110 96 S 4.4222 8.2215 114.0110 60.8025 63.2175 175.9719 97 R 4.3818 7.8880 119.9326 56.7326 30.8954 177.5190 98 F 4.1800 7.9076 118.0844 57.0867 36.7258 172.9727 *105 Q 3.9680 8.0264 123.4658 55.1987 30.1576 175.1925 106 R 3.8877 8.1852 124.3001 55.7472 30.9987 177.1166 107 L 3.6214 8.3947 124.5241 58.1836 41.9388 178.2711 108 D 4.4013 6.8141 113.3791 53.7667 39.3158 176.9238 109 S 4.3084 7.6340 114.3278 59.6000 63.8682 175.2605 110 I 4.0356 7.6364 121.7984 62.6971 37.7119 175.9915 111 I 4.4975 7.2114 121.1689 58.9781 39.4632 174.5410 112 H 4.3116 8.8259 125.0197 55.6882 31.4422 173.8888 113 P 4.5930 0.0000 0.0000 66.4363 31.2581 179.0610 114 T 4.0136 8.2481 113.9251 66.4764 68.4646 176.5712 115 K 4.0243 8.1854 120.9248 59.1800 32.3981 178.4311 116 A 4.2260 8.5701 121.5754 55.3114 18.3477 179.0617 117 E 3.6744 8.5070 117.7386 59.5345 29.7456 178.7462 118 A 4.2504 8.0484 120.5282 55.7095 18.3245 179.7743 119 T 3.9026 8.1938 114.0543 66.8034 68.5179 176.8939 120 I 3.6519 7.7428 121.6420 64.3171 37.1273 178.4837 121 W 4.6691 8.0153 119.6074 59.9782 28.6904 178.6342 122 L 4.1105 8.2999 119.0012 57.6888 41.1070 179.6669 123 V 3.5314 8.0893 118.4709 65.7516 30.9567 177.7582 124 E 4.0698 8.5394 121.0764 58.6304 29.4644 178.4290 125 E 3.9807 8.3134 119.5634 59.1301 29.6517 178.8738 126 I 3.6764 7.5006 120.1495 64.7588 36.9586 178.1427 127 H 4.3501 7.9636 115.7020 58.4255 28.6217 177.8633 128 R 4.0386 8.2351 120.4575 58.8886 29.8252 178.4510 129 L 4.2378 7.9354 116.9084 55.7683 42.0836 177.5820 130 T 4.3985 7.6047 107.6246 61.7553 70.5397 173.5531 131 P 4.3880 0.0000 0.0000 62.0377 30.8636 175.8516 132 S 4.5788 8.2244 116.0022 57.3108 64.3978 175.0917 133 H 4.3154 8.4741 117.6234 58.3015 28.9924 176.6197 134 L 3.9285 7.2263 122.5966 58.3201 42.0710 179.3089 135 H 4.0697 7.8197 115.3455 56.5020 29.3010 176.6125 *137 A 3.8524 8.1831 121.8117 51.5411 20.2367 179.7239 138 L 3.8537 7.6336 114.3218 57.9115 41.9062 179.4612 139 L 4.0231 7.7210 118.9898 57.7660 41.7004 179.7951 140 W 3.9461 7.3721 118.1932 59.5055 28.6357 178.3400 141 R 3.9305 8.0898 118.3517 59.0382 29.5417 177.7837 142 S 4.8375 7.5647 111.7490 57.6894 63.1866 173.5629 143 D 4.7594 7.8706 121.5243 51.5222 42.3896 175.0728 144 P 4.4833 0.0000 0.0000 62.4491 30.6484 176.9912 *146 Y 5.3475 8.0904 117.6070 58.3848 40.2780 177.0362 147 H 3.7494 6.2649 115.4110 57.6771 28.6246 177.0892 148 S 4.1123 7.8645 113.4885 60.0867 63.1472 174.5447 149 F 4.6564 8.4508 119.5378 57.1313 39.0842 174.5185 150 I 4.8063 7.3290 122.6253 59.2056 38.4699 175.5334 151 D 4.5254 8.7794 125.7448 53.3563 41.3410 174.6717 152 P 4.4454 0.0000 0.0000 62.6975 31.9372 176.5382 153 I 3.6031 8.2769 120.5120 63.7085 37.0657 176.4833 154 F 4.8391 7.4905 118.7217 54.2479 39.0626 173.3011 155 P 4.4726 0.0000 0.0000 62.6616 31.0771 176.5346 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 37 S 8.19 4.44 0.00 3.89 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 38 L 7.83 3.90 0.00 1.91 1.67 1.06 0.18 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 39 L 8.10 3.92 0.00 1.79 1.66 0.90 0.89 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 40 R 7.80 3.96 0.00 1.87 2.10 0.00 3.31 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 41 R 7.92 4.18 0.00 2.20 2.16 0.00 3.30 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 42 A 8.54 4.38 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 43 E 8.07 4.07 0.00 1.86 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 2.23 2.01 0.00 *45 Y 7.78 4.81 0.00 3.49 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 46 Q 8.57 3.94 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.74 0.00 0.00 0.00 0.00 0.00 2.52 2.35 0.00 47 D 8.20 4.44 0.00 2.77 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 48 Y 7.74 4.45 0.00 3.03 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 *50 K 8.26 4.42 0.00 1.87 1.88 0.00 1.62 0.00 0.00 0.61 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.36 7.81 51 Q 7.79 4.17 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.60 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 52 V 7.36 3.60 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 0.82 0.00 0.00 0.48 0.00 0.00 53 P 0.00 4.35 0.00 1.99 1.89 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 54 I 7.86 3.60 1.65 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.66 0.37 0.00 0.00 55 P 0.00 4.19 0.00 1.45 1.88 0.00 2.20 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.70 0.00 56 T 7.92 4.09 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 1.13 0.00 0.00 57 N 7.88 4.74 0.00 2.87 2.97 0.00 0.00 7.12 7.65 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 58 R 8.23 4.48 0.00 1.82 1.83 0.00 3.45 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 59 G 8.88 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 0.00 0.00 0.00 0.00 60 S 8.12 4.78 0.00 4.16 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 61 L 8.40 4.48 0.00 1.66 1.55 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.23 4.43 1.92 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.90 0.97 0.00 0.00 63 P 0.00 4.61 0.00 2.05 2.05 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 64 F 8.78 4.87 0.00 3.14 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 65 T 8.43 4.35 4.12 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 1.08 0.00 0.00 66 S 7.58 4.64 0.00 4.42 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 67 W 9.87 4.29 0.00 3.79 3.46 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 68 V 8.71 3.81 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 1.07 0.00 0.00 1.14 0.00 0.00 69 G 8.32 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 0.00 0.00 0.00 0.00 70 L 8.02 3.97 0.00 1.27 1.79 0.71 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.15 4.18 0.00 4.02 4.12 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 72 I 7.95 3.96 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.71 0.94 0.00 0.00 73 S 8.08 4.42 0.00 4.03 3.91 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 *75 K 7.93 4.60 0.00 2.04 1.98 0.00 2.03 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.63 1.58 7.81 76 Q 8.37 4.03 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.97 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 77 L 8.28 4.09 0.00 1.46 1.46 0.95 0.74 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 78 Y 8.23 4.29 0.00 3.24 3.17 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 79 G 8.09 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 0.00 0.00 0.00 80 Q 7.85 4.82 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 81 P 0.00 4.95 0.00 2.30 2.20 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 82 L 8.46 5.12 0.00 1.65 1.61 0.78 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 83 H 9.53 4.65 0.00 3.44 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 Y 9.00 4.92 0.00 3.30 3.22 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 85 L 8.52 3.87 0.00 1.34 1.26 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.84 3.74 4.43 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 1.11 0.00 0.00 87 N 8.31 4.44 0.00 3.03 3.10 0.00 0.00 6.72 7.96 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 88 V 7.41 2.90 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 0.57 0.00 0.00 -0.56 0.00 0.00 89 L 7.51 3.55 0.00 1.49 1.41 0.26 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.74 3.67 0.00 1.85 1.81 0.92 0.71 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 91 Q 8.03 4.13 0.00 2.37 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 92 R 8.02 4.13 0.00 1.90 1.97 0.00 3.05 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 93 W 8.08 4.48 0.00 3.19 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 94 D 8.67 4.89 0.00 3.15 3.05 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 95 Q 8.74 4.49 0.00 2.35 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.71 0.00 96 S 8.22 4.42 0.00 4.16 4.31 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 97 R 7.89 4.38 0.00 1.77 1.90 0.00 3.26 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.99 0.00 98 F 7.91 4.18 0.00 3.22 3.09 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 *105 Q 8.03 3.97 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.92 0.00 0.00 0.00 0.00 0.00 2.14 2.31 0.00 106 R 8.19 3.89 0.00 1.74 1.72 0.00 3.11 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 107 L 8.39 3.62 0.00 1.34 0.93 0.78 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 108 D 6.81 4.40 0.00 2.57 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 0.00 109 S 7.63 4.31 0.00 3.92 3.91 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 0.00 110 I 7.64 4.04 1.92 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 1.24 0.49 0.89 0.00 0.00 111 I 7.21 4.50 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 2.00 1.12 0.00 0.00 112 H 8.83 4.31 0.00 3.23 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.59 0.00 2.27 2.41 0.00 3.31 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.38 0.00 114 T 8.25 4.01 4.32 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 1.34 0.00 0.00 115 K 8.19 4.02 0.00 1.88 2.05 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.57 7.81 116 A 8.57 4.23 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 0.00 117 E 8.51 3.67 0.00 2.06 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 0.00 2.37 2.21 0.00 118 A 8.05 4.25 1.52 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 0.00 119 T 8.19 3.90 4.52 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 1.30 0.00 0.00 120 I 7.74 3.65 1.69 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.91 0.58 0.00 0.00 121 W 8.02 4.67 0.00 3.48 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 0.00 122 L 8.30 4.11 0.00 1.91 1.75 0.97 0.71 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 0.00 123 V 8.09 3.53 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 0.74 0.00 0.00 0.98 0.00 0.00 124 E 8.54 4.07 0.00 2.19 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 0.00 2.60 2.35 0.00 125 E 8.31 3.98 0.00 2.11 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 2.29 2.32 0.00 126 I 7.50 3.68 1.90 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 1.49 0.49 0.86 0.00 0.00 127 H 7.96 4.35 0.00 3.21 3.09 0.00 5.67 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.24 4.04 0.00 1.95 1.90 0.00 3.09 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.91 0.00 129 L 7.94 4.24 0.00 1.59 1.69 0.89 0.73 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 0.00 130 T 7.60 4.40 4.21 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 1.18 0.00 0.00 131 P 0.00 4.39 0.00 2.06 2.01 0.00 3.63 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 132 S 8.22 4.58 0.00 3.88 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 0.00 133 H 8.47 4.32 0.00 3.14 3.46 0.00 5.73 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 7.23 3.93 0.00 1.64 1.57 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 135 H 7.82 4.07 0.00 3.20 3.31 0.00 5.86 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *137 A 8.18 3.85 1.23 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 0.00 0.00 0.00 138 L 7.63 3.85 0.00 1.66 1.62 0.85 0.77 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 0.00 139 L 7.72 4.02 0.00 1.17 1.62 0.93 0.77 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 0.00 140 W 7.37 3.95 0.00 2.91 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 0.00 0.00 0.00 0.00 141 R 8.09 3.93 0.00 1.83 2.10 0.00 3.21 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 142 S 7.56 4.84 0.00 3.88 3.89 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 0.00 0.00 0.00 143 D 7.87 4.76 0.00 2.86 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 0.00 144 P 0.00 4.48 0.00 2.25 2.16 0.00 3.94 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 2.03 1.99 0.00 *146 Y 8.09 5.35 0.00 3.30 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 0.00 147 H 6.26 3.75 0.00 2.99 2.85 0.00 5.48 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 S 7.86 4.11 0.00 3.66 3.88 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 0.00 0.00 0.00 149 F 8.45 4.66 0.00 3.23 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 0.00 150 I 7.33 4.81 1.86 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.68 0.85 0.00 0.00 151 D 8.78 4.53 0.00 2.78 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 0.00 152 P 0.00 4.45 0.00 2.20 2.06 0.00 3.80 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 2.01 2.00 0.00 153 I 8.28 3.60 1.46 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 1.22 0.41 -0.27 0.00 0.00 154 F 7.49 4.84 0.00 3.01 2.89 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 0.00 0.00 0.00 155 P 0.00 4.47 0.00 2.10 2.02 0.00 3.80 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.