NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 A 4.1849 8.1114 123.5704 52.2542 19.9089 178.0181 16 G 3.9877 7.5545 100.9049 50.6834 0.0000 172.8154 17 I 3.7051 7.8125 123.8337 63.4511 38.6796 176.1448 18 T 3.8990 6.9721 113.7509 62.5633 68.9479 175.0672 19 G 3.6247 7.0471 112.8925 45.1106 0.0000 170.5547 20 T 4.8932 7.5675 116.1202 61.5902 71.0054 174.0623 21 W 5.5558 8.9241 124.9143 55.3322 34.0156 173.7868 22 Y 5.9228 9.6067 117.6288 56.0572 42.4523 174.5111 23 N 5.7897 9.0128 119.3540 50.0909 40.2256 175.4065 24 Q 4.0335 8.6885 116.0737 58.8634 28.5290 177.4412 25 L 4.1799 8.1109 116.7524 55.3474 42.1407 177.5545 26 G 4.0288 8.3796 107.0403 45.1036 0.0000 173.9063 27 S 4.5812 8.3482 115.9299 58.7947 64.2248 173.1960 28 T 4.6834 9.7605 119.2858 61.6375 71.2581 173.1066 29 F 5.2290 8.6989 128.1290 56.5003 42.1836 173.6363 30 I 4.6438 8.6005 128.5193 59.4184 39.2199 175.3343 31 V 4.5525 8.1080 126.1330 59.9363 35.2271 174.5400 32 T 4.7133 9.0579 118.9723 61.6933 71.6500 172.7183 33 A 4.6118 8.8469 129.5860 50.5363 19.9196 177.4322 34 G 3.8966 9.4321 112.3618 44.5906 0.0000 174.4582 35 A 4.1449 8.4730 122.4602 54.3386 18.5570 178.2311 36 D 4.5664 8.1391 113.9307 53.2520 39.8501 177.2638 37 G 3.2563 8.2291 107.5941 45.3534 0.0000 173.0705 38 A 4.7577 7.8121 120.7313 51.3666 20.0702 176.9979 39 L 5.3003 9.1500 121.8074 53.1859 44.8957 175.8658 40 T 4.9017 8.6392 112.4757 59.7058 72.5323 174.3484 41 G 4.4499 7.4326 107.6486 46.3430 0.0000 171.2486 42 T 5.1957 7.5102 110.2127 60.3010 72.9612 172.4623 43 Y 5.0802 9.5714 124.3762 55.9621 41.3160 174.0422 44 E 5.1329 9.6540 127.2558 54.7808 31.8231 175.3456 45 S 4.3920 9.2479 119.2862 57.5121 63.5756 173.7772 46 A 4.4574 8.6273 128.6243 53.1270 19.3644 177.5859 47 V 4.5077 7.8794 107.5407 60.0098 36.3806 176.2095 48 G 3.8073 8.7298 105.9758 45.0941 0.0000 175.9992 49 N 4.8462 8.1029 112.9855 51.0867 38.6084 172.9142 50 A 5.0975 7.6557 122.3800 50.1026 22.9343 175.6384 51 E 4.6309 9.4774 117.3883 56.1941 32.7279 176.5423 52 S 3.8670 8.6010 116.6406 57.3723 61.8701 168.6916 53 R 4.9330 8.1281 115.5237 55.7317 31.2131 175.3483 54 Y 4.8971 8.9022 116.9054 55.9968 42.0947 175.3771 55 V 4.3515 8.6368 122.8247 62.9365 32.7751 175.0150 56 L 5.2279 8.6832 126.2461 54.5521 44.1759 175.1334 57 T 4.9190 8.6266 113.9024 61.4425 71.5346 172.9720 58 G 4.3788 8.9204 113.7866 46.1167 0.0000 171.6619 59 R 5.5407 8.9726 117.3424 54.9210 34.7390 174.2847 60 Y 5.2925 8.5703 118.2906 55.4198 41.7765 174.6865 61 D 4.2905 9.2584 121.2340 54.1924 40.4482 176.7828 62 S 4.3015 8.0596 120.2540 59.0422 63.7293 174.8710 63 A 4.6543 8.0748 123.6796 50.3558 18.8494 173.5749 64 P 4.9555 0.0000 0.0000 60.9239 32.2247 176.3899 65 A 4.0244 7.6603 122.0180 54.1011 18.9251 177.4482 *69 S 4.2208 7.6616 112.3612 57.3613 64.5412 174.3494 70 G 3.9687 8.4762 110.5509 46.5601 0.0000 172.5696 71 T 4.8506 9.0054 116.8939 61.4745 70.3907 174.7142 72 A 4.8431 8.7157 129.2032 52.2029 19.9880 175.9025 73 L 5.0266 9.0585 120.6825 55.4886 44.7388 174.0810 74 G 4.6489 9.2176 104.9274 45.8287 0.0000 172.2296 75 W 5.7233 8.5731 116.8026 55.7639 32.0103 173.4262 76 T 5.1767 9.3653 117.1641 61.8377 72.3619 173.2786 77 V 4.5390 8.5208 123.7427 60.9880 34.5412 173.9574 78 A 4.4206 8.3507 129.9620 49.6789 19.7356 178.3767 79 W 4.2206 8.3314 126.7460 55.6618 27.4835 176.2052 80 K 5.2713 7.8100 118.4196 54.9825 35.1782 174.5628 81 N 4.9896 9.0589 123.6208 51.9872 39.5920 174.2073 82 N 4.1346 8.5883 113.7888 55.2935 38.9679 175.0599 83 Y 4.6318 7.5397 114.9334 58.8243 40.0193 175.9792 84 R 4.8006 8.6339 116.5860 54.6383 34.4746 173.7401 85 N 5.2354 8.5812 117.0471 52.6124 41.0739 173.8248 86 A 4.4076 9.0038 128.1698 51.5428 20.2796 175.8745 87 H 4.1615 8.2909 113.6692 55.8768 26.9791 173.7396 88 S 5.1877 7.3300 111.1595 57.5425 66.8190 174.5974 89 A 4.9434 9.1599 122.1372 50.6714 22.8486 175.1113 90 T 4.9300 8.5630 117.7711 61.6788 71.8904 173.3472 91 T 4.8695 8.7411 115.5151 59.6363 71.6808 172.6565 92 W 4.9313 8.6983 126.1825 54.7472 31.5279 174.8842 93 S 4.9442 8.8332 119.6391 56.7627 64.7448 172.9042 94 G 4.2154 8.6120 113.3442 46.6233 0.0000 171.6852 95 Q 5.2636 8.5191 118.3227 54.9435 32.2353 173.6292 96 Y 4.9629 9.3533 123.5151 56.9191 40.7907 174.2728 97 V 4.2383 8.7865 126.0219 61.0768 34.5101 175.3965 98 G 4.0376 8.9599 115.4751 45.0385 0.0000 172.0206 99 G 3.7537 8.7741 104.9540 44.2692 0.0000 172.9613 100 A 3.9988 8.5775 123.5701 54.8946 18.4510 178.8885 101 E 4.3969 7.7224 119.3154 54.2547 29.2997 174.4618 102 A 4.5118 8.0987 128.6008 52.7291 19.9160 176.2431 103 R 5.5593 9.2770 120.0696 55.0077 35.6583 174.3555 104 I 4.9725 8.9484 122.2545 59.9202 40.2105 174.2443 105 N 5.4051 9.1814 126.0252 51.9931 40.3754 174.6682 106 T 5.3342 9.2531 113.3388 60.1229 73.2376 172.6480 107 Q 5.0696 9.2498 120.8125 53.8547 32.6890 174.7940 108 W 5.4397 8.4192 118.2728 54.6932 32.4058 173.7822 109 L 5.3076 8.8972 120.7893 52.9131 44.7530 175.2057 110 L 4.9781 9.3624 126.3644 53.7719 44.2736 174.8756 111 T 5.0866 8.9928 124.0245 61.9780 71.0677 173.8307 112 S 5.1192 8.6363 122.1011 56.5979 65.1494 174.3565 113 G 3.9466 8.8263 111.9068 46.4777 0.0000 173.1219 114 T 4.7916 8.2380 113.1807 59.6688 72.4347 173.3192 115 T 4.2943 8.1260 112.0421 61.1171 69.9498 175.1813 116 E 3.9946 8.8352 121.2960 59.7028 29.0893 179.5916 117 A 4.2406 8.0287 119.5359 54.4277 18.9689 178.2046 118 N 4.5478 7.9814 112.1656 53.2990 39.2359 176.8475 119 A 4.2437 7.9507 124.0215 54.0738 18.1591 179.7422 120 W 4.3020 8.2272 114.0640 58.6289 28.3961 176.7912 121 K 4.2403 6.5272 118.0106 56.0320 32.3115 176.9424 122 S 4.3422 7.7253 114.0559 60.1554 63.9448 173.1933 123 T 5.0541 7.5547 117.7245 61.8260 70.8507 173.4080 124 L 4.7188 8.9626 127.3217 53.5740 43.7849 176.1533 125 V 4.5582 8.0011 121.0573 60.2788 34.4591 174.9986 126 G 2.7663 6.8498 108.4368 45.4404 0.0000 170.8739 127 H 5.3389 7.8323 113.8680 54.0940 31.6062 172.6972 128 D 5.2507 9.2319 119.8231 52.9689 45.3969 174.5556 129 T 5.1000 9.0962 118.7531 61.9472 71.6540 172.8833 130 F 5.5500 9.5283 125.8643 56.2008 41.8127 174.8883 131 T 5.2853 9.5942 120.0087 61.6590 71.3484 173.3525 132 K 3.8803 8.2673 126.8172 55.6968 33.0087 177.2179 133 V 3.9794 8.1273 119.8707 61.5247 31.8088 175.5703 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 15 A 8.11 4.18 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 16 G 7.55 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 0.00 0.00 0.00 17 I 7.81 3.71 1.29 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.36 0.49 0.00 0.00 18 T 6.97 3.90 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 1.13 0.00 0.00 19 G 7.05 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.57 4.89 4.08 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 0.85 0.00 0.00 21 W 8.92 5.56 0.00 3.36 3.37 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 22 Y 9.61 5.92 0.00 2.98 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 23 N 9.01 5.79 0.00 2.34 1.51 0.00 0.00 6.48 7.67 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 24 Q 8.69 4.03 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.04 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 25 L 8.11 4.18 0.00 1.93 1.82 1.00 1.01 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 26 G 8.38 4.03 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 0.00 0.00 0.00 27 S 8.35 4.58 0.00 4.13 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 28 T 9.76 4.68 4.18 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 0.88 0.00 0.00 29 F 8.70 5.23 0.00 2.58 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 30 I 8.60 4.64 1.73 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 1.13 0.39 0.77 0.00 0.00 31 V 8.11 4.55 0.67 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 -0.01 0.00 0.00 0.48 0.00 0.00 32 T 9.06 4.71 4.14 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 1.13 0.00 0.00 33 A 8.85 4.61 0.52 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 34 G 9.43 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 0.00 0.00 0.00 35 A 8.47 4.14 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 36 D 8.14 4.57 0.00 2.78 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 37 G 8.23 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 0.00 0.00 0.00 38 A 7.81 4.76 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.15 5.30 0.00 1.71 1.50 1.12 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.64 4.90 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 1.21 0.00 0.00 41 G 7.43 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 42 T 7.51 5.20 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 1.22 0.00 0.00 43 Y 9.57 5.08 0.00 3.00 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 44 E 9.65 5.13 0.00 1.80 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 0.00 2.29 2.22 0.00 45 S 9.25 4.39 0.00 4.40 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 46 A 8.63 4.46 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 47 V 7.88 4.51 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 0.72 0.00 0.00 0.87 0.00 0.00 48 G 8.73 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 49 N 8.10 4.85 0.00 2.59 2.61 0.00 0.00 6.50 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 50 A 7.66 5.10 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 51 E 9.48 4.63 0.00 2.04 1.95 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 2.30 2.12 0.00 52 S 8.60 3.87 0.00 3.75 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 53 R 8.13 4.93 0.00 1.95 2.09 0.00 3.06 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 54 Y 8.90 4.90 0.00 3.00 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 55 V 8.64 4.35 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 0.81 0.00 0.00 0.96 0.00 0.00 56 L 8.68 5.23 0.00 2.04 1.78 0.80 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.63 4.92 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 1.25 0.00 0.00 58 G 8.92 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 0.00 0.00 0.00 0.00 59 R 8.97 5.54 0.00 1.76 1.79 0.00 3.31 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 60 Y 8.57 5.29 0.00 3.09 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 61 D 9.26 4.29 0.00 2.78 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 62 S 8.06 4.30 0.00 3.89 3.39 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 0.00 63 A 8.07 4.65 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 64 P 0.00 4.96 0.00 2.28 2.19 0.00 3.45 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 65 A 7.66 4.02 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 *69 S 7.66 4.22 0.00 3.94 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 70 G 8.48 3.97 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 0.00 0.00 0.00 71 T 9.01 4.85 4.58 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 1.50 0.00 0.00 72 A 8.72 4.84 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 73 L 9.06 5.03 0.00 2.10 1.97 0.98 0.68 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 74 G 9.22 4.65 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 0.00 0.00 0.00 75 W 8.57 5.72 0.00 3.54 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 76 T 9.37 5.18 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 1.18 0.00 0.00 77 V 8.52 4.54 1.39 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 -0.48 0.00 0.00 0.85 0.00 0.00 78 A 8.35 4.42 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 79 W 8.33 4.22 0.00 3.39 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 80 K 7.81 5.27 0.00 1.95 1.75 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.54 7.81 81 N 9.06 4.99 0.00 2.79 2.63 0.00 0.00 6.61 6.48 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 82 N 8.59 4.13 0.00 2.01 2.31 0.00 0.00 6.62 7.46 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 83 Y 7.54 4.63 0.00 2.92 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 84 R 8.63 4.80 0.00 2.05 1.88 0.00 3.35 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 85 N 8.58 5.24 0.00 2.61 2.56 0.00 0.00 6.88 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 86 A 9.00 4.41 1.26 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 0.00 0.00 87 H 8.29 4.16 0.00 3.36 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.33 5.19 0.00 4.01 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 89 A 9.16 4.94 1.15 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 0.00 0.00 0.00 90 T 8.56 4.93 3.47 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 -0.54 0.00 0.00 91 T 8.74 4.87 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 1.14 0.00 0.00 92 W 8.70 4.93 0.00 1.78 2.26 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 93 S 8.83 4.94 0.00 3.78 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.61 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 0.00 0.00 0.00 0.00 95 Q 8.52 5.26 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 96 Y 9.35 4.96 0.00 3.02 2.93 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 97 V 8.79 4.24 2.02 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 0.93 0.00 0.00 0.92 0.00 0.00 98 G 8.96 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 99 G 8.77 3.75 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 0.00 0.00 0.00 100 A 8.58 4.00 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 0.00 101 E 7.72 4.40 0.00 2.12 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 0.00 2.22 2.31 0.00 102 A 8.10 4.51 1.40 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 0.00 103 R 9.28 5.56 0.00 1.85 1.96 0.00 3.18 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 104 I 8.95 4.97 1.76 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.24 1.07 0.00 0.00 105 N 9.18 5.41 0.00 2.73 2.82 0.00 0.00 6.10 6.65 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 0.00 106 T 9.25 5.33 4.54 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 1.43 0.00 0.00 107 Q 9.25 5.07 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 108 W 8.42 5.44 0.00 2.66 2.37 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 0.00 109 L 8.90 5.31 0.00 1.50 1.54 0.88 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.36 4.98 0.00 1.48 1.67 0.95 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.99 5.09 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 0.00 112 S 8.64 5.12 0.00 3.70 3.75 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 0.00 113 G 8.83 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 0.00 0.00 0.00 114 T 8.24 4.79 4.18 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 1.18 0.00 0.00 115 T 8.13 4.29 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 1.20 0.00 0.00 116 E 8.84 3.99 0.00 2.02 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 2.42 2.35 0.00 117 A 8.03 4.24 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 0.00 118 N 7.98 4.55 0.00 2.71 2.68 0.00 0.00 6.82 7.41 0.00 0.00 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 A 7.95 4.24 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 0.00 120 W 8.23 4.30 0.00 3.56 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 0.00 121 K 6.53 4.24 0.00 1.34 0.74 0.00 0.61 0.00 0.00 1.21 0.00 0.00 2.68 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.81 0.74 7.81 122 S 7.73 4.34 0.00 4.17 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 0.00 123 T 7.55 5.05 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 1.20 0.00 0.00 124 L 8.96 4.72 0.00 1.83 1.75 0.98 0.86 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 0.00 125 V 8.00 4.56 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 0.56 0.00 0.00 0.75 0.00 0.00 126 G 6.85 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 0.00 0.00 0.00 127 H 7.83 5.34 0.00 3.17 3.09 0.00 5.67 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 0.00 128 D 9.23 5.25 0.00 3.14 2.44 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 0.00 129 T 9.10 5.10 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 1.39 0.00 0.00 130 F 9.53 5.55 0.00 3.12 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 9.59 5.29 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 1.31 0.00 0.00 132 K 8.27 3.88 0.00 0.79 1.20 0.00 1.06 0.00 0.00 1.32 0.00 0.00 2.58 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.75 0.21 7.81 133 V 8.13 3.98 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 1.00 0.00 0.00 1.17 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.