NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 T 4.3574 8.0327 110.9546 61.8272 71.3051 175.3265 10 F 3.6457 8.1736 128.5800 58.9000 40.0176 175.6149 11 F 4.6180 7.8523 117.2841 57.6088 40.9344 175.5515 12 Q 4.2745 7.3662 118.4522 55.4946 29.2796 175.8743 13 K 4.3856 8.1741 119.6520 54.2783 34.1396 174.4890 14 P 4.4892 0.0000 0.0000 62.2078 32.1331 176.8923 15 E 3.8354 8.8918 121.6908 59.7235 29.7257 178.3917 16 S 4.2186 8.0741 111.8383 61.1747 62.6984 174.3675 17 C 4.2246 7.7780 117.0520 58.7307 28.4158 171.7897 18 P 4.1224 0.0000 0.0000 63.5514 30.9243 176.7189 *22 G 3.7746 8.5822 109.1332 44.7489 0.0000 172.8007 23 G 3.9305 7.9965 108.5821 43.7827 0.0000 172.5742 24 S 4.7243 8.2369 120.1360 56.3393 65.3073 174.1535 25 M 4.3802 8.2026 121.6743 53.9266 33.7054 175.1463 26 K 4.3074 8.3662 120.9046 55.1205 32.9492 175.0268 27 L 4.6299 8.3868 128.3130 53.2197 43.4011 175.2064 28 D 4.6489 8.5361 126.5708 53.1482 41.7993 176.4901 29 I 3.6297 8.0494 116.9885 62.1151 38.1325 176.2056 30 G 3.8509 8.8104 109.5353 46.1980 0.0000 172.6957 31 I 4.3622 7.7870 123.3240 58.9321 38.8003 175.8167 32 I 3.7975 8.2593 126.5094 62.7011 37.6194 175.7336 33 N 4.6676 8.9600 119.8935 53.9279 36.2606 176.1552 34 E 3.9869 7.6576 120.5033 59.2118 29.7336 177.2929 35 N 4.6316 7.9626 113.1072 53.2486 39.2358 174.9238 36 Q 3.9920 7.7389 121.0861 56.1679 29.3552 175.5243 37 R 4.7325 8.2388 120.8175 53.6599 32.5372 175.4711 38 V 3.8114 8.0295 117.8798 61.4377 32.1881 175.8276 39 S 4.5077 8.4480 115.7465 56.9810 64.1906 172.7489 40 M 4.9763 8.3256 125.8414 52.9775 36.1724 175.4047 41 S 4.2238 8.5116 115.7944 58.6184 63.5078 174.6333 42 R 4.0793 8.6181 122.9436 58.2824 30.2973 175.9756 43 N 4.2600 9.0433 117.7208 54.0447 36.2462 175.8638 44 I 3.4893 7.5812 119.4403 63.1618 38.2091 176.0843 45 E 2.0000 7.4595 116.3165 55.9412 30.3163 176.7494 46 S 4.1326 8.1624 115.2042 60.5288 64.7219 176.3622 47 R 4.0015 7.7125 114.9540 57.4635 29.7841 176.8388 48 S 4.5166 7.3563 113.3262 57.4368 63.4232 174.2620 49 T 4.0992 8.4505 114.6228 63.8286 69.2902 173.7957 50 S 5.0705 8.1122 116.1399 54.1335 61.7395 172.2462 51 P 4.4916 0.0000 0.0000 63.7572 32.7405 176.2883 52 W 5.6350 8.0157 117.4691 55.1964 31.8058 173.6152 53 N 5.0184 9.5914 117.3570 51.7368 41.4648 173.6000 54 Y 5.4957 8.5248 117.8013 56.8178 40.6401 175.2126 55 T 4.6698 9.8213 122.5054 61.7436 71.2304 173.5049 56 V 4.5113 8.5413 126.9758 62.0195 32.8332 174.9745 57 T 4.8658 8.5607 117.1953 59.6401 71.7469 172.7157 58 W 5.3738 8.8168 132.8399 55.7702 33.8299 173.8015 59 D 4.3357 8.0693 125.8220 51.6633 43.2742 174.4042 60 P 3.6728 0.0000 0.0000 64.7943 31.6876 176.6567 61 N 4.8714 8.7682 116.7039 52.7173 38.8382 173.7117 62 R 5.2246 7.3614 117.2159 54.7048 33.8937 173.9483 63 Y 4.6811 8.9663 124.5975 54.9883 41.6038 173.3428 64 P 4.1681 0.0000 0.0000 62.5136 32.5452 176.8984 65 S 4.2913 8.5672 115.3122 61.1839 63.7998 174.2786 66 E 5.8017 7.9535 117.6629 53.8262 31.5504 175.6743 67 V 4.2937 7.9946 123.9523 61.0038 34.3396 174.3072 68 V 4.5437 8.4537 128.3156 62.2945 32.4038 174.9137 69 Q 4.8965 9.6480 126.9705 54.1849 31.6149 174.5240 70 A 5.3246 8.5472 123.6284 50.5683 22.2843 175.8806 71 Q 4.4653 9.1043 120.2332 54.5267 32.8369 173.4478 72 C 4.7511 9.0168 124.2409 57.7835 40.0884 174.3377 73 R 3.9789 8.9726 123.5987 58.4357 30.2585 176.4837 74 N 5.1177 7.9127 113.7595 51.0512 42.8400 173.9347 75 L 4.1567 8.5994 120.9633 56.8767 42.7718 175.8152 76 G 5.2261 8.7152 105.8566 44.8159 0.0000 170.7108 77 C 5.3453 8.5860 117.0564 55.3870 43.9139 172.7590 78 I 5.1737 8.5920 120.0221 60.0847 39.9269 175.2565 79 N 5.0535 8.1004 120.7239 50.6877 39.9961 174.6834 80 A 4.0405 8.7663 120.1081 55.9700 18.3235 178.9239 81 Q 4.0203 8.1886 112.8588 58.6626 28.7877 178.2421 82 G 4.2525 7.9069 105.7908 45.3828 0.0000 173.1156 83 K 4.7033 8.0380 118.2778 53.7801 35.5094 175.5592 84 E 4.3380 8.7819 124.6992 56.3275 30.9822 175.7043 85 D 4.8583 8.9731 126.0231 52.1603 43.2588 175.8383 86 I 4.0915 8.4300 117.9472 61.5598 37.6901 177.3020 87 S 4.3004 8.8949 116.7979 60.4666 63.5103 173.9013 88 M 4.9788 8.0081 120.3940 53.5264 35.5745 174.3329 89 N 5.5015 8.8607 118.3366 51.7384 41.7532 174.1587 90 S 5.0374 8.6029 118.8849 57.6227 64.3201 173.7703 91 V 4.5907 8.5794 118.2612 58.6478 35.3936 173.3986 92 P 4.9977 0.0000 0.0000 62.2232 33.1854 175.0832 93 I 4.3984 8.7868 122.8402 59.7892 39.3191 174.4872 94 Q 5.1070 8.6524 125.8197 54.0588 31.2033 174.7588 95 Q 4.6245 9.0276 124.5067 54.1816 32.5543 173.6187 96 E 4.7454 8.7112 126.3323 55.2527 30.6968 174.6396 97 T 4.7479 8.7431 121.0178 60.2468 71.4171 172.0330 98 L 5.3711 8.4066 123.2654 52.9413 44.3935 176.5697 99 V 4.6089 8.9773 121.1424 60.2185 35.5252 173.8251 100 V 4.7817 9.0128 122.6863 61.4534 33.7256 174.2401 101 R 5.0130 9.1724 128.5787 54.7257 32.1918 174.5410 102 R 4.7811 9.1591 127.5582 55.3068 31.0595 175.5066 103 K 4.3447 8.6969 125.6500 55.8529 35.3702 177.3780 104 H 3.9933 8.5398 119.0782 56.6383 27.1984 173.2581 105 Q 4.5125 8.4316 117.3646 57.1561 32.1967 177.0880 106 G 3.9474 8.1302 109.6984 47.3922 0.0000 176.7548 107 C 4.3800 8.8971 122.9565 60.4144 28.6027 173.9963 108 S 4.5297 7.6038 113.3524 57.8872 62.8119 174.4883 109 V 3.9686 7.5554 121.7678 62.4296 31.7266 175.3056 110 S 4.5252 8.7810 118.4894 56.5092 67.0778 172.3603 111 F 5.3607 8.4149 116.9626 55.9373 42.7438 174.7838 112 Q 4.5469 8.8933 121.7412 54.6199 32.5733 174.0006 113 L 4.6897 8.5742 126.3158 54.8594 42.8052 175.9327 114 E 4.7040 9.7048 123.4810 54.3034 33.3487 174.0198 115 K 4.9664 8.6355 126.9931 55.4156 33.9152 176.0373 116 V 4.5266 8.6662 119.8379 59.7698 36.1692 174.1894 117 L 4.7708 8.6284 125.5873 54.2714 42.5818 176.2849 118 V 4.5187 9.0587 123.9091 61.4038 34.7789 174.6784 119 T 4.6180 8.8659 124.7504 62.3814 68.4047 175.6115 120 V 3.5864 8.4759 128.4251 63.6268 32.4862 176.1639 121 G 2.2301 6.3595 106.6331 45.1116 0.0000 170.9668 122 C 5.3531 6.6197 115.1905 55.3790 44.9682 173.4698 123 T 4.7533 8.5212 115.1520 60.4841 70.9957 171.3388 124 C 5.4655 8.7074 123.8387 54.9446 46.8707 172.9229 125 V 4.5640 9.1407 118.6860 59.8684 35.7256 174.0547 126 T 4.8607 8.1959 117.4078 61.1377 70.1913 173.2559 127 P 4.3253 0.0000 0.0000 63.4580 32.1321 176.4612 128 V 3.9645 8.0086 119.0806 63.5753 31.2654 173.4921 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 9 T 8.03 4.36 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 1.24 0.00 0.00 10 F 8.17 3.65 0.00 2.90 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 11 F 7.85 4.62 0.00 3.18 3.11 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 0.00 0.00 0.00 0.00 12 Q 7.37 4.27 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 13 K 8.17 4.39 0.00 1.76 1.79 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.42 7.81 14 P 0.00 4.49 0.00 2.21 2.15 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 15 E 8.89 3.84 0.00 1.94 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 2.31 2.29 0.00 16 S 8.07 4.22 0.00 3.86 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 0.00 17 C 7.78 4.22 0.00 3.02 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 18 P 0.00 4.12 0.00 2.17 2.08 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 *22 G 8.58 3.77 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 23 G 8.00 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 0.00 0.00 0.00 24 S 8.24 4.72 0.00 3.97 3.84 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 25 M 8.20 4.38 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 26 K 8.37 4.31 0.00 1.72 1.73 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.42 7.81 27 L 8.39 4.63 0.00 1.65 1.57 0.93 1.16 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 28 D 8.54 4.65 0.00 2.70 2.56 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 29 I 8.05 3.63 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.50 0.87 0.00 0.00 30 G 8.81 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 0.00 0.00 0.00 31 I 7.79 4.36 1.89 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 1.30 1.10 0.95 0.00 0.00 32 I 8.26 3.80 1.88 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 0.85 0.92 0.00 0.00 33 N 8.96 4.67 0.00 2.88 3.07 0.00 0.00 6.74 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 34 E 7.66 3.99 0.00 1.97 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 0.00 2.39 2.43 0.00 35 N 7.96 4.63 0.00 2.74 2.85 0.00 0.00 6.84 7.69 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 36 Q 7.74 3.99 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 37 R 8.24 4.73 0.00 1.90 1.86 0.00 3.08 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 38 V 8.03 3.81 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 0.70 0.00 0.00 0.96 0.00 0.00 39 S 8.45 4.51 0.00 3.80 3.77 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 40 M 8.33 4.98 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 41 S 8.51 4.22 0.00 3.91 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 42 R 8.62 4.08 0.00 1.79 1.89 0.00 3.36 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 43 N 9.04 4.26 0.00 2.82 2.77 0.00 0.00 6.76 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 44 I 7.58 3.49 2.10 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.81 1.10 0.00 0.00 45 E 7.46 2.00 0.00 1.16 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 1.70 1.51 0.00 46 S 8.16 4.13 0.00 3.69 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 47 R 7.71 4.00 0.00 1.72 1.93 0.00 3.17 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 48 S 7.36 4.52 0.00 4.01 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 49 T 8.45 4.10 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 1.23 0.00 0.00 50 S 8.11 5.07 0.00 3.92 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 51 P 0.00 4.49 0.00 2.02 2.26 0.00 3.72 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 52 W 8.02 5.63 0.00 3.15 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 53 N 9.59 5.02 0.00 2.65 2.78 0.00 0.00 7.23 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 54 Y 8.52 5.50 0.00 2.91 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 55 T 9.82 4.67 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 1.27 0.00 0.00 56 V 8.54 4.51 2.13 0.00 0.00 0.00 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 0.95 0.00 0.00 57 T 8.56 4.87 4.29 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 1.29 0.00 0.00 58 W 8.82 5.37 0.00 3.26 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 59 D 8.07 4.34 0.00 2.55 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 0.00 0.00 0.00 0.00 60 P 0.00 3.67 0.00 2.12 2.05 0.00 3.43 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.00 0.00 61 N 8.77 4.87 0.00 2.72 2.90 0.00 0.00 6.20 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 62 R 7.36 5.22 0.00 1.68 1.59 0.00 3.16 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 63 Y 8.97 4.68 0.00 2.98 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 64 P 0.00 4.17 0.00 2.05 1.64 0.00 3.72 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.80 0.00 65 S 8.57 4.29 0.00 3.79 3.72 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 66 E 7.95 5.80 0.00 1.84 1.90 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 2.47 2.29 0.00 67 V 7.99 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 0.93 0.00 0.00 0.88 0.00 0.00 68 V 8.45 4.54 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 0.77 0.00 0.00 0.85 0.00 0.00 69 Q 9.65 4.90 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.45 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 70 A 8.55 5.32 1.21 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 0.00 0.00 71 Q 9.10 4.47 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 72 C 9.02 4.75 0.00 2.92 3.07 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 73 R 8.97 3.98 0.00 1.71 1.99 0.00 3.08 0.00 0.00 3.49 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 74 N 7.91 5.12 0.00 2.85 2.87 0.00 0.00 6.86 7.85 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 75 L 8.60 4.16 0.00 1.73 1.77 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.72 5.23 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 0.00 77 C 8.59 5.35 0.00 2.88 3.18 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 0.00 78 I 8.59 5.17 1.87 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 1.28 0.75 0.94 0.00 0.00 79 N 8.10 5.05 0.00 2.91 2.94 0.00 0.00 7.14 7.12 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 80 A 8.77 4.04 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 81 Q 8.19 4.02 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.50 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 82 G 7.91 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 0.00 0.00 0.00 0.00 83 K 8.04 4.70 0.00 1.60 1.67 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.48 7.81 84 E 8.78 4.34 0.00 1.98 1.84 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 2.29 2.43 0.00 85 D 8.97 4.86 0.00 2.72 2.50 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 86 I 8.43 4.09 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 1.47 0.71 0.96 0.00 0.00 87 S 8.89 4.30 0.00 3.95 4.02 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 88 M 8.01 4.98 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.62 0.00 89 N 8.86 5.50 0.00 2.66 2.69 0.00 0.00 7.10 7.19 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 90 S 8.60 5.04 0.00 3.99 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 91 V 8.58 4.59 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 0.79 0.00 0.00 0.98 0.00 0.00 92 P 0.00 5.00 0.00 2.00 1.98 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 93 I 8.79 4.40 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.81 0.83 0.00 0.00 94 Q 8.65 5.11 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.27 0.00 95 Q 9.03 4.62 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 96 E 8.71 4.75 0.00 2.00 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 0.00 2.21 2.28 0.00 97 T 8.74 4.75 4.23 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 1.25 0.00 0.00 98 L 8.41 5.37 0.00 1.53 1.56 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.98 4.61 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 0.75 0.00 0.00 0.95 0.00 0.00 100 V 9.01 4.78 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 1.07 0.00 0.00 0.96 0.00 0.00 101 R 9.17 5.01 0.00 1.87 1.75 0.00 3.11 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 102 R 9.16 4.78 0.00 1.92 1.80 0.00 3.55 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 103 K 8.70 4.34 0.00 1.34 1.23 0.00 1.87 0.00 0.00 1.51 0.00 0.00 2.68 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.20 1.23 7.81 104 H 8.54 3.99 0.00 3.31 3.25 0.00 5.76 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.43 4.51 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.78 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 106 G 8.13 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 0.00 107 C 8.90 4.38 0.00 2.96 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 0.00 108 S 7.60 4.53 0.00 3.83 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 0.00 109 V 7.56 3.97 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 0.75 0.00 0.00 0.60 0.00 0.00 110 S 8.78 4.53 0.00 3.74 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 0.00 111 F 8.41 5.36 0.00 2.90 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 0.00 112 Q 8.89 4.55 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 113 L 8.57 4.69 0.00 1.56 1.60 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 114 E 9.70 4.70 0.00 1.92 1.72 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 2.18 2.21 0.00 115 K 8.64 4.97 0.00 1.80 1.68 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.45 7.81 116 V 8.67 4.53 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 0.72 0.00 0.00 0.92 0.00 0.00 117 L 8.63 4.77 0.00 1.52 1.59 0.91 0.86 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 0.00 118 V 9.06 4.52 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 1.10 0.00 0.00 0.92 0.00 0.00 119 T 8.87 4.62 4.41 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 0.00 0.00 0.00 1.14 0.00 0.00 120 V 8.48 3.59 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 0.67 0.00 0.00 0.88 0.00 0.00 121 G 6.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 C 6.62 5.35 0.00 3.18 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 0.00 123 T 8.52 4.75 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 1.18 0.00 0.00 124 C 8.71 5.47 0.00 3.03 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 0.00 125 V 9.14 4.56 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 0.70 0.00 0.00 0.99 0.00 0.00 126 T 8.20 4.86 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 1.21 0.00 0.00 127 P 0.00 4.33 0.00 2.03 2.01 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.26 0.00 128 V 8.01 3.96 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 0.67 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.