NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1395 8.0093 121.4512 60.6694 37.5371 174.2491 2 P 4.9575 0.0000 0.0000 60.1756 34.1392 169.6369 3 V 4.5197 8.0733 110.6947 60.0557 35.0206 176.4182 4 T 4.6964 8.2291 112.4292 60.1172 71.3014 172.8214 5 H 4.7649 8.9125 122.1846 54.2631 30.1660 174.4666 6 I 4.5214 8.0442 117.1595 58.5695 39.8759 174.9127 7 K 4.2222 8.5169 124.3413 56.3008 32.7639 176.5285 8 C 5.1470 8.4878 122.5432 54.9750 39.7142 172.9830 9 L 4.4600 8.6822 124.1704 54.0735 43.1482 175.1371 10 R 4.8381 8.5846 127.2879 54.8845 31.5263 175.5830 11 I 4.2368 8.4823 127.2354 59.6063 38.9259 172.3193 12 N 4.1554 9.3414 126.1218 54.4580 36.3630 173.6870 13 G 3.9528 8.4218 103.9378 45.6822 0.0000 171.0704 14 Q 4.4749 7.5383 117.0515 54.3157 32.3169 173.1755 15 I 4.6785 8.2855 125.6895 59.3654 39.1437 174.9764 16 K 4.4257 9.2734 126.2645 55.1165 33.2048 175.1953 17 C 4.4869 8.7080 123.9981 57.9095 41.8373 175.0096 18 V 3.8692 7.6784 119.4837 61.8791 31.5833 175.3430 19 K 4.2729 8.4422 127.3964 54.4343 32.1765 173.7897 20 P 4.5019 0.0000 0.0000 61.3977 31.1692 176.5346 21 I 3.8304 8.1527 117.2091 61.3647 38.4110 176.1906 22 S 4.7568 8.0214 113.7990 55.3880 62.0498 172.4949 23 P 4.6436 0.0000 0.0000 61.4742 31.4594 175.4868 24 N 4.6833 8.5677 120.4898 53.1411 38.8318 175.4563 25 T 4.5519 7.6551 110.2635 60.7594 68.1314 174.4046 26 T 4.5796 7.8622 118.9406 59.7797 72.2545 173.3799 27 P 4.1781 0.0000 0.0000 65.8999 31.4869 178.8062 28 A 3.9693 8.0123 118.6050 55.0663 18.3848 179.3629 29 A 3.9215 7.5898 118.2898 55.3619 18.6442 179.1311 30 E 3.8732 8.9226 118.5811 59.9356 29.4716 178.6848 31 H 4.0872 8.5365 118.0067 59.4392 30.0145 177.1726 32 I 3.7010 7.6645 121.0959 64.3283 36.7218 177.7824 33 E 3.8972 7.8891 118.9346 59.9449 29.8531 178.4839 34 H 4.2641 8.0906 115.6343 58.6944 28.3473 177.9077 35 V 3.5942 8.0361 120.3887 66.0975 31.2032 177.7779 36 R 4.2258 8.1374 114.9955 57.2916 30.0966 178.1061 37 K 4.1429 7.6389 119.4454 57.5451 32.5042 176.0684 38 N 4.5921 7.4715 118.2703 52.0467 39.5149 173.9575 39 P 4.2499 0.0000 0.0000 65.8268 31.3082 178.8595 40 R 3.9419 8.6306 118.6058 59.0486 29.7694 179.1172 41 R 3.8929 7.9657 116.5338 58.9496 30.2705 178.2720 42 K 3.9523 7.9744 118.1845 59.5171 32.4051 178.0912 43 A 4.1365 7.9064 120.4964 55.2241 18.2088 179.5008 44 A 3.8015 7.4433 116.5013 53.7819 18.8485 178.7786 *46 D 4.4880 7.9739 120.7605 55.5790 43.1038 178.3216 47 R 3.9080 8.3898 118.1568 59.0365 29.9333 179.0402 48 A 3.9346 7.8878 120.1299 55.1006 18.3484 179.3809 49 A 3.9319 8.0518 118.6030 55.2856 18.4087 179.5777 50 A 3.9072 8.1297 119.0857 55.4105 17.9916 179.9618 51 R 3.8655 7.8710 116.5098 59.6751 30.1519 179.4650 52 I 3.7615 7.9593 119.2372 64.2018 37.0036 178.2997 53 A 4.0365 8.3275 122.0882 55.0778 18.1269 179.4913 54 D 4.2651 8.0848 117.4835 57.6497 41.0788 179.0575 55 K 3.9788 7.7112 118.0331 59.4687 32.0893 179.5735 56 I 3.6905 7.7642 119.8962 64.2601 36.8461 178.3143 57 A 4.4734 8.1110 123.0945 54.5802 18.0059 179.4620 58 L 3.9051 7.7455 117.6413 58.2558 42.2961 178.8035 59 K 4.0470 7.8912 117.8447 58.6344 32.2241 177.5659 60 A 4.5635 7.4147 117.7829 51.2711 19.7105 176.5424 61 G 4.0923 7.8960 105.9487 44.6155 0.0000 174.3296 62 G 3.8419 7.4912 104.7366 45.5853 0.0000 170.4278 63 E 4.0845 8.2153 120.7216 56.7815 29.9822 177.5251 64 T 4.9019 8.1778 116.8247 60.2225 72.3884 175.3337 65 F 4.1104 8.5285 122.0391 61.2377 39.1282 177.0744 66 V 3.4422 7.7576 116.5397 65.9574 31.5710 177.1163 67 S 4.2007 7.6935 111.5416 61.6046 62.2790 175.6932 68 L 4.0794 7.8608 122.4263 58.0575 41.9153 179.4198 69 R 3.7852 7.2259 115.3787 57.3972 29.8849 177.8655 *71 K 4.2573 7.9906 117.8086 55.8288 33.8880 176.8460 72 K 4.2338 7.9048 115.8853 56.2415 32.2287 176.9338 73 G 3.6849 8.0937 106.5720 46.5821 0.0000 173.3592 74 F 4.8164 7.8800 118.5980 55.1751 40.4469 176.9833 75 T 4.1194 8.8108 117.1925 61.3791 70.5576 174.8227 76 Q 3.9827 8.8213 123.3346 59.8327 28.9305 179.2558 77 S 4.1716 8.1060 113.1838 61.4798 62.4134 175.8563 78 E 4.0408 8.2970 121.1777 59.4372 29.2915 179.0858 79 L 3.6590 8.5098 120.4503 58.0401 42.0510 178.7151 80 A 4.0615 8.2765 120.8005 55.5551 18.0575 179.8602 81 T 3.8218 8.0259 113.8114 66.8270 68.3935 176.8904 82 A 4.0636 8.2374 121.3409 54.4306 18.4137 178.5047 83 A 4.5548 7.8254 116.3459 50.8679 19.5637 176.8523 84 G 3.8974 7.8202 105.5786 47.1656 0.0000 174.0492 85 L 4.8785 7.9088 117.7613 51.6704 45.0463 175.3954 86 P 4.6296 0.0000 0.0000 61.9647 33.5103 177.5148 87 Q 4.0281 8.6507 122.3649 58.7639 29.2059 176.6642 88 P 4.2721 0.0000 0.0000 65.9696 31.4423 177.8311 89 Y 4.1980 8.0698 117.6282 60.5600 38.7501 177.6749 90 L 3.8537 8.1284 121.3764 58.1395 42.1106 178.7066 91 S 4.1238 8.5405 113.5279 61.6975 62.2591 176.5097 92 R 3.8915 7.9044 120.4043 59.1493 29.5258 179.0469 93 I 3.6406 7.2164 118.9286 64.3296 37.0789 178.0010 94 E 4.2607 8.0603 118.3707 58.2129 29.3903 177.2623 95 N 4.7648 7.6158 113.9221 54.2701 41.2174 175.2614 96 S 4.5026 7.7850 111.0497 59.8428 64.4966 175.2385 97 K 4.1421 8.1390 118.5002 56.8703 32.2860 176.9499 98 Q 4.6438 8.9427 119.8712 56.7414 29.6187 175.6683 99 S 4.7923 7.8587 109.7007 56.9189 66.1656 172.6688 100 L 4.5750 7.5608 119.6740 52.3073 44.3473 177.6267 101 Q 4.1620 8.3514 121.4841 55.6129 30.8891 177.1367 102 D 4.2840 8.5623 121.7917 57.5033 41.3651 178.5085 103 K 3.8897 8.0679 119.5622 59.8798 32.0557 178.7411 104 T 3.8671 7.7675 115.3620 66.6827 68.4732 176.4833 105 V 3.5868 7.5185 119.6533 66.2863 31.2739 178.2003 106 Q 3.9455 7.9771 116.9763 58.9141 28.7675 178.3318 107 K 3.8510 8.0230 119.4782 59.8035 32.1114 179.3378 108 L 4.0085 8.4443 119.1010 57.5952 41.6176 179.2850 109 A 4.0119 8.3588 121.1505 55.2687 18.1841 179.4890 110 N 4.2802 8.4900 114.9574 56.3349 38.4036 177.4354 111 A 3.9514 7.6407 120.8361 55.0043 18.5951 179.0601 112 L 4.2137 7.7953 114.7328 53.9715 42.8321 176.7972 113 G 3.9506 7.6888 107.0885 46.8149 0.0000 172.8335 114 V 4.5692 7.7299 109.7960 58.1575 36.4116 176.8332 115 S 4.3925 8.2654 115.6498 57.6561 64.9445 173.2019 116 P 4.2369 0.0000 0.0000 65.8676 31.0539 178.5421 117 L 3.9671 7.9521 118.3902 58.2186 41.9222 178.6179 118 E 3.9469 8.2312 118.2899 59.4788 29.4821 179.1474 119 V 3.7249 7.6591 117.7797 66.4941 31.5051 178.2717 120 R 3.9740 8.5754 117.4642 59.2950 29.7251 178.8911 121 A 4.0551 8.5496 119.4349 55.0525 18.6340 179.3628 122 A 4.8534 8.3147 120.6055 54.9359 18.7056 179.2895 123 F 4.0336 8.5025 119.2009 61.7862 39.3562 176.9403 124 E 4.6289 8.7088 116.2706 57.9743 29.0529 178.1821 125 R 4.3600 7.8388 118.5861 57.2462 30.4403 176.6060 126 R 3.9139 7.4863 113.1391 57.7402 29.7956 175.4238 127 Y 4.5965 7.5338 116.8319 56.2721 40.5929 174.2031 128 E 4.6916 8.3691 120.8887 54.8047 30.4872 175.0808 129 Y 4.2480 8.6518 122.6640 58.1293 38.1055 175.9066 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 1 I 8.01 4.14 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 1.07 0.91 0.00 0.00 2 P 0.00 4.96 0.00 2.23 2.06 0.00 3.72 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 1.89 2.05 0.00 3 V 8.07 4.52 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 0.79 0.00 0.00 0.98 0.00 0.00 4 T 8.23 4.70 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 1.23 0.00 0.00 5 H 8.91 4.76 0.00 3.10 3.29 0.00 5.84 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 6 I 8.04 4.52 1.88 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 1.30 0.66 0.92 0.00 0.00 7 K 8.52 4.22 0.00 1.74 1.76 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.46 7.81 8 C 8.49 5.15 0.00 2.84 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 9 L 8.68 4.46 0.00 1.76 1.60 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.58 4.84 0.00 1.84 1.81 0.00 3.23 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 11 I 8.48 4.24 1.86 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 1.16 1.31 0.95 0.00 0.00 12 N 9.34 4.16 0.00 2.85 2.78 0.00 0.00 7.23 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 13 G 8.42 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 14 Q 7.54 4.47 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 15 I 8.29 4.68 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 1.29 0.74 0.96 0.00 0.00 16 K 9.27 4.43 0.00 1.67 1.64 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.34 7.81 17 C 8.71 4.49 0.00 2.98 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 18 V 7.68 3.87 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 0.82 0.00 0.00 0.94 0.00 0.00 19 K 8.44 4.27 0.00 1.88 1.83 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.39 7.81 20 P 0.00 4.50 0.00 2.21 2.14 0.00 3.77 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 1.97 1.95 0.00 21 I 8.15 3.83 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 1.30 0.47 0.91 0.00 0.00 22 S 8.02 4.76 0.00 3.79 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 23 P 0.00 4.64 0.00 2.08 2.01 0.00 3.72 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 1.96 2.09 0.00 24 N 8.57 4.68 0.00 2.76 2.84 0.00 0.00 6.76 7.05 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 25 T 7.66 4.55 4.48 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 0.00 0.00 0.00 1.25 0.00 0.00 26 T 7.86 4.58 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 1.23 0.00 0.00 27 P 0.00 4.18 0.00 2.19 2.17 0.00 3.61 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 2.13 2.18 0.00 28 A 8.01 3.97 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 29 A 7.59 3.92 1.45 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 30 E 8.92 3.87 0.00 2.23 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 0.00 2.37 2.48 0.00 31 H 8.54 4.09 0.00 3.44 3.46 0.00 5.85 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 32 I 7.66 3.70 1.90 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 1.45 0.53 0.93 0.00 0.00 33 E 7.89 3.90 0.00 2.10 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 2.25 2.34 0.00 34 H 8.09 4.26 0.00 3.39 3.28 0.00 5.88 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.04 3.59 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 1.03 0.00 0.00 0.92 0.00 0.00 36 R 8.14 4.23 0.00 1.83 1.93 0.00 3.21 0.00 0.00 3.19 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 37 K 7.64 4.14 0.00 2.04 1.83 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.41 7.81 38 N 7.47 4.59 0.00 2.80 2.81 0.00 0.00 6.79 7.59 0.00 0.00 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 P 0.00 4.25 0.00 2.28 2.27 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 40 R 8.63 3.94 0.00 1.91 2.00 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 41 R 7.97 3.89 0.00 2.01 1.98 0.00 3.30 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 42 K 7.97 3.95 0.00 1.98 1.94 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.56 1.42 7.81 43 A 7.91 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.44 3.80 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 *46 D 7.97 4.49 0.00 2.88 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 47 R 8.39 3.91 0.00 1.94 1.97 0.00 3.12 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 48 A 7.89 3.93 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 49 A 8.05 3.93 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 50 A 8.13 3.91 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 51 R 7.87 3.87 0.00 2.15 1.99 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 52 I 7.96 3.76 1.99 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 1.45 0.71 0.91 0.00 0.00 53 A 8.33 4.04 1.42 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 0.00 0.00 0.00 54 D 8.08 4.27 0.00 2.94 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 55 K 7.71 3.98 0.00 1.99 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.66 7.81 56 I 7.76 3.69 2.02 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 1.45 1.18 0.90 0.00 0.00 57 A 8.11 4.47 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 58 L 7.75 3.91 0.00 1.84 1.71 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.89 4.05 0.00 1.94 1.99 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.50 7.81 60 A 7.41 4.56 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 61 G 7.90 4.09 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 0.00 0.00 0.00 62 G 7.49 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 0.00 0.00 0.00 63 E 8.22 4.08 0.00 2.07 1.88 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 2.38 2.36 0.00 64 T 8.18 4.90 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 1.24 0.00 0.00 65 F 8.53 4.11 0.00 3.27 3.13 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 0.00 0.00 0.00 0.00 66 V 7.76 3.44 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 0.89 0.00 0.00 1.01 0.00 0.00 67 S 7.69 4.20 0.00 3.90 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 0.00 68 L 7.86 4.08 0.00 1.74 1.61 0.90 0.70 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 69 R 7.23 3.79 0.00 1.54 1.87 0.00 3.21 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.57 0.00 *71 K 7.99 4.26 0.00 1.80 1.90 0.00 1.96 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.46 7.81 72 K 7.90 4.23 0.00 1.95 2.09 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.58 7.81 73 G 8.09 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 74 F 7.88 4.82 0.00 3.15 2.97 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 75 T 8.81 4.12 4.28 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 1.27 0.00 0.00 76 Q 8.82 3.98 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.94 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 77 S 8.11 4.17 0.00 4.07 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 78 E 8.30 4.04 0.00 2.50 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 2.37 2.36 0.00 79 L 8.51 3.66 0.00 1.61 1.68 0.44 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.28 4.06 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 0.00 0.00 0.00 0.00 0.00 81 T 8.03 3.82 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 1.25 0.00 0.00 82 A 8.24 4.06 1.42 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 0.00 0.00 0.00 83 A 7.83 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.82 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 85 L 7.91 4.88 0.00 1.68 1.69 1.03 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.63 0.00 2.23 1.98 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 87 Q 8.65 4.03 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 88 P 0.00 4.27 0.00 2.26 2.14 0.00 3.64 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 2.15 2.19 0.00 89 Y 8.07 4.20 0.00 3.01 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.13 3.85 0.00 1.87 1.85 1.07 0.84 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 91 S 8.54 4.12 0.00 4.09 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 92 R 7.90 3.89 0.00 1.96 1.85 0.00 3.23 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 93 I 7.22 3.64 1.70 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 1.07 -0.12 0.22 0.00 0.00 94 E 8.06 4.26 0.00 2.00 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 0.00 2.83 2.76 0.00 95 N 7.62 4.76 0.00 2.70 2.75 0.00 0.00 6.90 7.44 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 96 S 7.79 4.50 0.00 3.80 3.86 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 97 K 8.14 4.14 0.00 1.81 1.91 0.00 1.25 0.00 0.00 1.46 0.00 0.00 2.99 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.48 1.41 7.81 98 Q 8.94 4.64 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 99 S 7.86 4.79 0.00 3.90 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 0.00 100 L 7.56 4.57 0.00 1.17 1.30 0.21 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.35 4.16 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 102 D 8.56 4.28 0.00 2.72 2.64 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 0.00 103 K 8.07 3.89 0.00 1.85 1.79 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.53 7.81 104 T 7.77 3.87 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 1.26 0.00 0.00 105 V 7.52 3.59 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 1.10 0.00 0.00 0.85 0.00 0.00 106 Q 7.98 3.95 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.50 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 107 K 8.02 3.85 0.00 2.00 2.02 0.00 1.68 0.00 0.00 1.90 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.67 7.81 108 L 8.44 4.01 0.00 1.93 1.83 0.88 1.01 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 0.00 109 A 8.36 4.01 1.42 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 0.00 0.00 0.00 110 N 8.49 4.28 0.00 2.89 2.88 0.00 0.00 6.92 7.88 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 0.00 111 A 7.64 3.95 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 0.00 112 L 7.80 4.21 0.00 1.59 1.68 0.78 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.69 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 V 7.73 4.57 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 0.80 0.00 0.00 0.94 0.00 0.00 115 S 8.27 4.39 0.00 4.05 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 0.00 116 P 0.00 4.24 0.00 2.18 2.16 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 2.16 0.00 117 L 7.95 3.97 0.00 1.76 1.68 0.93 0.99 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 0.00 118 E 8.23 3.95 0.00 2.25 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 0.00 2.35 2.34 0.00 119 V 7.66 3.72 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 1.04 0.00 0.00 120 R 8.58 3.97 0.00 1.95 2.01 0.00 3.19 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 121 A 8.55 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.31 4.85 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.50 4.03 0.00 3.31 3.31 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 0.00 124 E 8.71 4.63 0.00 2.24 2.40 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 2.85 2.65 0.00 125 R 7.84 4.36 0.00 2.09 1.95 0.00 3.38 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 126 R 7.49 3.91 0.00 1.56 1.59 0.00 2.21 0.00 0.00 2.49 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.50 0.00 127 Y 7.53 4.60 0.00 2.81 2.46 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 0.00 128 E 8.37 4.69 0.00 1.86 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 2.18 2.37 0.00 129 Y 8.65 4.25 0.00 2.99 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 * Residues marked with a * may have inaccurate shift predictions.