NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4350 8.3349 115.4110 57.6352 64.9481 173.5336 4 D 4.3665 7.8310 121.3847 52.6052 44.3084 172.7000 5 K 4.5311 9.1512 127.3169 54.6819 34.8973 174.3004 6 I 5.2105 8.1770 121.4888 58.5534 39.5543 175.1211 7 I 4.4018 8.3480 127.5037 58.7304 39.0496 173.4671 8 P 4.7068 0.0000 0.0000 63.4409 31.9245 175.3474 9 I 4.7975 8.3451 119.3157 62.0311 43.6695 177.3374 10 A 4.5897 8.3420 134.2317 52.8373 19.9183 179.0281 11 E 4.8435 10.1481 117.6799 59.8480 28.7743 174.4167 12 N 4.8983 8.7164 120.9968 50.3679 38.1746 174.7927 13 K 3.9440 8.7530 124.8913 59.8667 31.6348 178.5376 14 E 3.8442 8.3713 117.8632 58.9907 29.1882 178.9693 15 A 4.2904 8.2391 120.7441 54.5184 19.3495 179.5153 16 K 4.0915 8.2247 114.5316 58.8484 32.1463 178.0861 17 A 4.5074 8.0465 119.2598 52.4812 20.1705 178.4456 18 K 3.9511 7.3373 115.8543 57.2129 32.5172 176.1857 19 Y 5.2888 7.5122 113.9117 55.4867 41.0038 175.2368 20 D 4.9398 8.1799 120.1874 52.2266 42.2283 175.1045 21 I 3.8107 7.9990 122.5464 60.4361 37.6612 175.3554 22 L 4.7975 7.9237 122.3908 54.5051 43.7483 176.4095 23 E 4.9453 7.8342 115.6655 55.6620 33.7749 174.5019 24 T 4.9586 8.5642 112.4638 60.5121 71.7882 173.1442 25 Y 4.6918 8.4591 118.7881 56.7854 42.9826 173.7018 26 E 4.3198 8.8347 123.2681 55.2255 30.1144 175.2780 27 A 3.7814 9.4439 130.2520 49.7785 17.7830 173.8810 28 G 3.6799 8.2837 113.2463 44.3178 0.0000 171.9495 29 I 4.5715 7.6750 118.2514 58.0745 40.3274 175.6241 30 V 3.5541 8.1561 126.2617 63.5397 31.8362 174.9970 31 L 4.8554 8.2838 127.4192 52.6400 45.3657 174.9806 32 K 4.4624 7.9334 118.4843 54.6479 33.9243 176.9709 33 G 4.0803 8.8198 113.9261 48.0702 0.0000 175.3599 34 S 4.5225 8.2547 117.1111 61.3510 62.5378 176.5643 35 E 4.4615 8.7251 123.7789 58.4132 29.2433 179.1065 36 V 3.4633 7.6994 117.8058 66.2496 31.5058 177.3308 37 K 3.9626 9.5649 119.4203 59.6434 32.0568 178.4573 38 S 4.2107 8.8723 114.7211 61.7908 62.4720 176.8931 39 L 4.0655 8.2503 122.3950 57.9015 41.3838 179.3629 40 R 4.1172 8.4590 116.8180 59.3006 29.9692 178.8327 41 E 3.9563 7.8252 117.8352 60.3687 29.6448 176.1219 42 K 3.9096 8.6201 122.5918 57.2567 32.1810 176.7974 43 G 4.0042 6.3560 103.6691 43.3391 0.0000 175.0356 44 T 4.5420 8.2497 121.9747 61.5173 71.6250 174.1604 45 V 5.5805 8.0670 125.0631 61.9474 31.6839 172.7010 46 S 5.0025 8.0744 118.7867 56.0773 65.8745 172.8316 47 F 5.2609 9.7842 120.1189 55.1091 38.8098 173.4991 48 K 4.4476 8.6149 126.0242 55.9479 33.9118 175.9735 49 D 4.7330 8.8449 123.7907 55.2538 38.3454 173.7768 50 S 5.0187 7.4981 113.9558 58.4915 64.3415 173.0220 51 F 4.9690 8.6115 115.8202 56.2720 41.6506 172.6299 52 V 4.8956 8.1059 118.3920 61.2019 34.1838 174.6458 53 R 4.9093 9.3612 126.0212 54.8981 34.0909 173.4734 54 I 4.7182 8.6195 125.8143 59.3301 38.2827 174.8315 55 E 4.7803 8.8570 126.3731 56.5041 29.0739 179.9694 56 N 4.6013 8.7543 119.5830 54.2237 36.4498 173.0551 57 G 4.2687 8.3596 112.4452 45.2210 0.0000 171.5330 58 E 4.2746 7.7472 118.0979 55.2869 31.1999 174.6779 59 A 5.1793 7.7890 119.8820 50.3013 22.3766 175.2583 60 W 4.8332 9.7378 121.9554 54.6134 33.4758 174.8321 61 L 4.7868 8.6982 125.2940 53.8250 42.9881 174.6701 62 Y 4.1725 8.4571 125.5951 57.2469 39.1970 175.0246 63 N 4.4842 8.6383 119.4023 54.0715 34.9135 174.1563 64 L 4.7831 7.4780 118.6039 53.2109 44.5703 175.9435 65 Y 4.2635 8.5771 129.1846 57.7918 39.9634 174.6683 66 I 4.9455 8.0649 126.2381 58.7028 39.1216 172.3649 67 A 4.1385 9.2120 127.4044 51.5627 18.9547 175.9881 68 P 4.5813 0.0000 0.0000 62.3513 32.8278 174.5309 69 Y 5.0119 8.0360 117.4327 55.5311 41.7534 173.9145 70 K 3.6830 7.3172 125.3579 56.5859 30.7930 174.2613 71 H 4.4504 7.8515 115.2521 54.1569 30.7302 172.0629 72 A 3.3610 8.4434 123.4746 54.1067 18.0140 175.9427 *76 N 4.1526 7.8221 114.7742 54.5923 39.3152 169.4652 77 H 3.9300 8.9525 132.1102 55.7780 28.1869 173.9506 78 D 4.5670 8.8233 127.5575 52.9661 40.4051 176.3123 79 P 3.8128 0.0000 0.0000 64.5637 31.9204 177.6190 80 L 4.7207 7.5054 114.7998 54.1803 41.8146 176.1559 81 R 3.8389 8.2687 120.6426 56.1140 30.6544 175.5483 82 K 4.2781 8.4240 123.3507 55.3740 32.7957 175.9552 83 R 4.9137 8.2239 124.3136 54.1745 33.4859 175.1588 84 K 3.9891 8.2010 122.5342 55.7404 34.5441 175.3568 85 L 4.8094 7.5124 121.6391 53.1357 43.6347 176.0452 86 L 4.3034 9.2444 123.9743 54.0557 42.3264 176.4771 87 L 4.4339 8.0242 121.5052 53.5827 45.8501 174.7219 88 H 4.1802 8.7402 119.0373 55.7429 29.3540 175.9991 89 K 3.7480 8.9035 125.4950 60.1609 31.6393 178.6662 90 R 3.9567 8.1256 114.9377 59.7139 29.2062 178.0537 91 E 4.2207 8.7228 119.3568 59.4101 29.4723 178.6956 92 I 3.6520 7.7835 119.7250 65.1088 37.3812 178.2384 93 M 4.1533 8.1437 118.6099 58.2725 31.8571 178.7542 94 R 3.9256 7.9555 119.1821 59.3777 30.2928 178.4248 95 L 3.8774 7.8348 118.0144 57.9436 41.9118 178.3752 96 Y 4.1680 8.3833 120.0694 61.1142 38.5876 178.8560 97 G 3.6820 8.2328 105.7100 47.5491 0.0000 175.8083 98 K 4.0823 7.9527 120.7177 59.4240 32.2131 179.8096 99 V 3.8321 8.1524 119.6778 65.6467 30.9661 176.9957 100 Q 4.0941 8.2435 119.1451 56.7927 28.0548 178.0031 101 E 3.5269 8.0731 122.9377 59.1141 31.0574 178.1442 102 K 4.1512 8.3309 117.9051 55.1001 32.8718 177.4274 103 G 4.4704 7.6855 106.7484 46.6510 0.0000 173.2141 104 Y 4.5337 7.3206 124.3967 58.0786 38.3066 175.8929 105 T 4.1362 8.2205 115.2831 62.5401 71.4898 173.6397 106 I 5.0977 8.2264 130.7316 59.4539 36.1433 174.1597 107 I 4.1214 7.3971 119.1634 59.6778 39.5157 173.9541 108 P 4.6964 0.0000 0.0000 62.8383 31.7475 175.6176 109 L 4.6217 9.1892 124.8327 56.5378 43.4715 176.7762 110 K 4.7788 7.8109 114.6958 55.8259 35.7869 174.0941 111 L 4.7774 8.1210 124.6368 53.4914 44.2954 174.6158 112 Y 5.3075 8.2068 123.4141 56.1796 42.3432 173.5676 113 W 5.2025 9.7814 119.8617 56.1095 30.4279 176.4953 114 K 4.4925 9.8097 122.8180 55.9129 33.5075 174.0011 115 N 4.2491 8.8677 125.4300 54.1744 35.6905 174.0441 116 N 4.5461 8.2564 107.2658 54.0455 37.0580 174.9270 117 K 4.7669 7.8694 115.5114 54.8664 36.7479 175.9768 118 V 4.2344 8.1572 124.2045 62.2995 32.6499 175.1797 119 K 4.6461 9.3357 125.9217 54.9693 37.0288 175.3135 120 V 4.3455 8.0630 122.1325 59.9931 35.0575 174.5368 121 L 5.3004 8.4000 125.5987 52.8775 41.4539 173.7456 122 I 4.1511 8.0695 123.6276 61.0966 38.3820 174.7123 123 A 4.9839 9.3031 129.1516 50.2161 22.7675 175.3062 124 L 4.9720 8.3401 118.9765 53.5658 43.9569 174.7326 125 A 4.8330 8.5117 128.3993 50.4613 22.9608 172.6342 126 K 5.4701 8.6889 115.1580 55.7812 36.1878 174.5816 127 G 4.3593 8.6305 106.1521 44.5431 0.0000 173.6446 128 K 4.1303 8.5310 124.3560 57.0638 32.3310 175.8840 129 K 3.7035 9.1973 123.2298 56.6793 31.3621 176.8576 130 L 4.0086 8.8782 126.0281 55.8050 41.2704 174.4279 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 3 S 8.33 4.44 0.00 3.99 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 4 D 7.83 4.37 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 5 K 9.15 4.53 0.00 1.80 1.66 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.32 7.81 6 I 8.18 5.21 1.51 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.82 0.74 0.00 0.00 7 I 8.35 4.40 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.02 0.94 0.00 0.00 8 P 0.00 4.71 0.00 2.02 2.14 0.00 3.73 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 2.06 2.12 0.00 9 I 8.35 4.80 2.01 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 1.51 0.70 0.93 0.00 0.00 10 A 8.34 4.59 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 10.15 4.84 0.00 2.16 2.47 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 2.30 2.29 0.00 12 N 8.72 4.90 0.00 2.74 2.67 0.00 0.00 6.22 7.20 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 13 K 8.75 3.94 0.00 1.83 1.94 0.00 1.71 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.59 7.81 14 E 8.37 3.84 0.00 1.97 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 2.39 2.39 0.00 15 A 8.24 4.29 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 16 K 8.22 4.09 0.00 1.88 1.95 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.58 7.81 17 A 8.05 4.51 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 18 K 7.34 3.95 0.00 1.50 0.74 0.00 1.38 0.00 0.00 1.26 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.11 1.28 7.81 19 Y 7.51 5.29 0.00 2.90 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 20 D 8.18 4.94 0.00 2.63 2.63 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 21 I 8.00 3.81 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.37 1.01 0.00 0.00 22 L 7.92 4.80 0.00 1.74 1.51 0.68 0.89 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 23 E 7.83 4.95 0.00 2.04 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 0.00 2.27 2.26 0.00 24 T 8.56 4.96 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 1.25 0.00 0.00 25 Y 8.46 4.69 0.00 3.08 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 26 E 8.83 4.32 0.00 1.90 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 2.43 2.44 0.00 27 A 9.44 3.78 1.18 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 0.00 0.00 28 G 8.28 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 29 I 7.67 4.57 1.71 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.62 0.75 0.00 0.00 30 V 8.16 3.55 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 0.69 0.00 0.00 0.81 0.00 0.00 31 L 8.28 4.86 0.00 1.42 1.47 0.68 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.93 4.46 0.00 2.06 1.53 0.00 1.53 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.36 7.81 33 G 8.82 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 0.00 0.00 0.00 0.00 34 S 8.25 4.52 0.00 4.23 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 0.00 35 E 8.73 4.46 0.00 1.95 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 1.67 2.02 0.00 36 V 7.70 3.46 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 1.14 0.00 0.00 0.94 0.00 0.00 37 K 9.56 3.96 0.00 2.13 2.00 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.63 7.81 38 S 8.87 4.21 0.00 4.31 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 39 L 8.25 4.07 0.00 2.09 1.89 0.65 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.46 4.12 0.00 2.00 2.05 0.00 3.27 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.35 0.00 41 E 7.83 3.96 0.00 2.16 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 2.46 2.08 0.00 42 K 8.62 3.91 0.00 1.75 2.06 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.17 7.81 43 G 6.36 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.25 4.54 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 0.97 0.00 0.00 45 V 8.07 5.58 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 0.99 0.00 0.00 0.98 0.00 0.00 46 S 8.07 5.00 0.00 3.92 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 47 F 9.78 5.26 0.00 3.05 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 48 K 8.61 4.45 0.00 1.89 1.77 0.00 1.76 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.55 7.81 49 D 8.84 4.73 0.00 2.97 2.88 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 50 S 7.50 5.02 0.00 4.03 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 0.00 51 F 8.61 4.97 0.00 3.24 3.19 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 52 V 8.11 4.90 2.25 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 0.83 0.00 0.00 0.96 0.00 0.00 53 R 9.36 4.91 0.00 2.34 2.05 0.00 3.27 0.00 0.00 3.53 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 54 I 8.62 4.72 2.16 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.15 1.10 0.00 0.00 55 E 8.86 4.78 0.00 2.20 1.50 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 2.30 2.35 0.00 56 N 8.75 4.60 0.00 2.73 2.81 0.00 0.00 6.88 7.98 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 57 G 8.36 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 0.00 0.00 0.00 0.00 58 E 7.75 4.27 0.00 2.31 1.70 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 2.40 2.60 0.00 59 A 7.79 5.18 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 60 W 9.74 4.83 0.00 2.83 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 61 L 8.70 4.79 0.00 1.62 1.62 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 8.46 4.17 0.00 1.43 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 0.00 0.00 0.00 63 N 8.64 4.48 0.00 3.03 3.08 0.00 0.00 6.79 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 64 L 7.48 4.78 0.00 1.63 1.55 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 8.58 4.26 0.00 3.12 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 66 I 8.06 4.95 1.88 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 1.13 0.94 1.02 0.00 0.00 67 A 9.21 4.14 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 0.00 0.00 68 P 0.00 4.58 0.00 2.12 1.65 0.00 3.68 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.82 0.00 69 Y 8.04 5.01 0.00 2.85 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 70 K 7.32 3.68 0.00 0.81 1.39 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.65 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.23 7.81 71 H 7.85 4.45 0.00 3.10 3.19 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.44 3.36 1.37 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 0.00 0.00 *76 N 7.82 4.15 0.00 2.72 2.82 0.00 0.00 7.00 7.89 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 77 H 8.95 3.93 0.00 3.31 3.38 0.00 5.79 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 D 8.82 4.57 0.00 2.78 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 79 P 0.00 3.81 0.00 1.83 1.12 0.00 3.51 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 1.86 1.89 0.00 80 L 7.51 4.72 0.00 1.63 1.71 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.27 3.84 0.00 1.89 1.87 0.00 3.25 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 82 K 8.42 4.28 0.00 1.72 1.61 0.00 1.43 0.00 0.00 1.57 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 0.74 7.81 83 R 8.22 4.91 0.00 1.74 1.70 0.00 3.08 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 84 K 8.20 3.99 0.00 0.79 0.74 0.00 1.23 0.00 0.00 1.10 0.00 0.00 2.63 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.91 0.69 7.81 85 L 7.51 4.81 0.00 1.41 1.58 0.82 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 86 L 9.24 4.30 0.00 1.41 1.49 0.89 0.79 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 87 L 8.02 4.43 0.00 1.50 1.50 0.94 1.14 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 88 H 8.74 4.18 0.00 3.26 3.24 0.00 5.65 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 89 K 8.90 3.75 0.00 1.85 1.84 0.00 1.62 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.60 7.81 90 R 8.13 3.96 0.00 2.02 2.11 0.00 3.04 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 91 E 8.72 4.22 0.00 2.22 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 2.44 2.47 0.00 92 I 7.78 3.65 2.08 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 1.49 0.82 1.02 0.00 0.00 93 M 8.14 4.15 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 94 R 7.96 3.93 0.00 2.14 2.22 0.00 3.21 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 95 L 7.83 3.88 0.00 1.81 1.60 0.66 0.10 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 96 Y 8.38 4.17 0.00 3.11 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 97 G 8.23 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 98 K 7.95 4.08 0.00 1.96 1.91 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.67 1.55 7.81 99 V 8.15 3.83 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 0.67 0.00 0.00 0.97 0.00 0.00 100 Q 8.24 4.09 0.00 2.13 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.57 0.00 0.00 0.00 0.00 0.00 1.89 1.65 0.00 101 E 8.07 3.53 0.00 1.95 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 2.34 2.36 0.00 102 K 8.33 4.15 0.00 1.53 1.13 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.62 7.81 103 G 7.69 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 0.00 0.00 0.00 0.00 104 Y 7.32 4.53 0.00 2.98 2.88 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 0.00 105 T 8.22 4.14 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 1.24 0.00 0.00 106 I 8.23 5.10 1.86 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 0.90 0.83 0.84 0.00 0.00 107 I 7.40 4.12 1.63 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.63 0.09 0.00 0.00 108 P 0.00 4.70 0.00 2.38 2.18 0.00 3.71 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 1.87 2.06 0.00 109 L 9.19 4.62 0.00 1.82 1.84 0.99 0.46 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 0.00 110 K 7.81 4.78 0.00 1.94 2.03 0.00 1.90 0.00 0.00 2.08 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.52 7.81 111 L 8.12 4.78 0.00 1.18 1.20 0.64 0.48 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 0.00 112 Y 8.21 5.31 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 0.00 113 W 9.78 5.20 0.00 3.26 3.21 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 K 9.81 4.49 0.00 1.94 1.78 0.00 2.02 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.45 7.81 115 N 8.87 4.25 0.00 3.00 2.92 0.00 0.00 6.94 7.87 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 0.00 116 N 8.26 4.55 0.00 2.94 3.01 0.00 0.00 6.99 7.61 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 0.00 117 K 7.87 4.77 0.00 1.99 1.65 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.69 7.81 118 V 8.16 4.23 1.73 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 0.39 0.00 0.00 -0.10 0.00 0.00 119 K 9.34 4.65 0.00 1.66 1.52 0.00 1.93 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.42 7.81 120 V 8.06 4.35 1.87 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 0.64 0.00 0.00 0.88 0.00 0.00 121 L 8.40 5.30 0.00 1.78 1.67 1.05 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.07 4.15 1.86 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 1.20 0.80 0.74 0.00 0.00 123 A 9.30 4.98 1.27 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 0.00 0.00 0.00 124 L 8.34 4.97 0.00 1.56 1.39 0.82 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.51 4.83 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 0.00 126 K 8.69 5.47 0.00 1.94 2.29 0.00 1.54 0.00 0.00 1.99 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.52 7.81 127 G 8.63 4.36 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 0.00 128 K 8.53 4.13 0.00 1.62 1.76 0.00 1.92 0.00 0.00 1.55 0.00 0.00 3.15 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.89 1.34 7.81 129 K 9.20 3.70 0.00 1.74 1.63 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.49 7.81 130 L 8.88 4.01 0.00 1.79 1.70 0.89 0.77 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 * Residues marked with a * may have inaccurate shift predictions.