NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0857 8.2127 108.0316 46.5392 0.0000 172.4777 2 V 5.0094 8.3839 124.7495 59.5939 33.5123 173.2995 3 Y 4.9208 8.7399 124.4980 56.1236 42.3318 172.3955 4 H 5.0303 9.3595 120.0706 55.1425 31.6654 174.3370 5 R 4.8221 8.7746 123.8382 54.2797 33.7383 174.2063 6 E 5.0641 8.6542 120.4712 53.8566 32.6586 175.6233 7 A 4.1141 8.6878 123.6471 52.4377 18.9889 179.1041 8 R 3.9774 8.5302 117.0633 59.1174 29.6127 178.4824 9 S 4.1486 7.9378 111.9573 59.5715 63.4709 173.7656 10 G 3.6876 6.8734 106.5959 43.8592 0.0000 172.7090 11 K 4.0327 8.2437 121.8204 57.5588 33.2154 177.2721 12 Y 4.0146 9.2975 122.6132 59.9538 35.3705 170.6566 13 K 4.6623 8.0284 112.7302 55.6670 34.6224 176.3695 14 L 4.9692 8.2713 120.7415 52.8479 43.7215 176.7737 15 T 5.3666 8.8818 116.1293 60.7781 70.8913 175.0387 16 Y 2.3900 7.8346 121.3223 60.2422 38.4761 177.9384 17 A 3.6330 7.6612 120.9750 55.1526 18.3867 179.3569 18 E 3.8079 7.9781 116.4777 59.3255 29.5545 179.2487 19 A 3.9780 8.1428 121.2501 55.0340 18.4630 179.4766 20 K 3.6443 7.7378 117.7873 59.6667 32.2148 178.7175 21 A 3.9930 7.7941 120.9239 55.0600 18.2196 179.6819 22 V 3.5047 7.9625 116.7492 66.5442 31.5788 177.5890 23 C 4.3329 8.1808 116.1272 60.1958 40.4074 176.1290 24 E 4.2080 8.2725 121.4680 58.7327 28.8017 178.9882 25 F 4.0962 8.4953 120.2987 61.3538 39.5426 176.3219 26 E 4.4333 8.1485 114.6390 56.6425 29.3173 177.4589 27 G 4.0207 8.6787 107.7346 45.0163 0.0000 173.9480 28 G 4.0302 8.3264 109.3303 45.3389 0.0000 171.7731 29 H 5.2096 9.0349 119.4545 53.8765 34.0967 173.1386 30 L 4.5527 8.6887 119.7124 55.2531 42.2070 177.3299 31 A 4.5353 9.4172 126.0840 51.9873 19.5770 177.6604 32 T 4.3212 8.9845 112.1543 61.2182 69.9843 174.8753 33 Y 3.9094 8.8581 123.1011 61.1698 38.4916 178.8461 34 K 4.0057 8.1161 118.5647 59.4539 32.1843 179.2557 35 Q 3.7320 7.9331 118.3645 58.7095 28.5139 178.3825 36 L 3.8379 7.9840 121.6824 58.1816 42.0077 178.6327 37 E 3.6576 8.0960 119.2228 59.0786 28.9744 178.6380 38 A 3.9043 8.1433 120.7522 55.0233 18.4665 179.3809 39 A 3.9370 8.0340 119.3133 55.3610 18.4783 179.7032 40 R 4.2138 8.2534 118.8317 59.0185 29.8987 178.5524 41 K 4.0126 8.1348 118.4744 58.3565 32.0689 177.0742 42 I 4.3621 7.1258 110.4885 60.8869 37.6878 176.2421 43 G 4.0747 8.1324 107.9686 45.6464 0.0000 174.1116 44 F 4.7035 8.6137 124.0246 58.2455 40.4950 173.8394 45 H 4.8076 8.3544 125.7188 54.7379 32.4791 172.6601 46 V 4.0435 8.0222 126.1385 61.2495 33.9866 175.4104 47 C 4.2996 8.3283 129.5936 55.1258 38.8184 173.3294 48 A 4.5722 6.9244 119.8323 49.9682 22.1357 177.1740 49 A 4.2745 9.1307 125.8340 52.3913 19.6603 176.6373 50 G 4.6071 9.1914 108.0070 43.9372 0.0000 172.1689 51 W 5.0606 9.1463 121.9637 57.4172 30.6962 175.2354 52 M 5.5646 9.6457 121.8828 53.0509 36.5587 174.4059 53 A 4.2141 8.9526 122.3211 54.4113 18.7675 178.6893 54 K 3.9386 9.4746 118.8212 56.7079 29.8869 176.8870 55 G 3.5409 8.1993 106.5163 45.6434 0.0000 173.7245 56 R 4.7008 7.7140 119.8390 55.9422 31.6123 175.3718 57 V 4.5664 7.9303 123.3014 61.3494 34.7073 175.0098 58 G 4.1406 8.1499 112.8555 47.4521 0.0000 171.1660 59 Y 4.6006 7.3516 115.2672 55.4995 41.7718 171.3926 60 P 5.0425 0.0000 0.0000 61.5896 33.3935 174.4020 61 I 4.7216 8.8006 117.2564 58.7119 39.9720 175.4688 62 V 4.2167 8.8771 123.8772 62.7131 32.3544 174.9080 *65 G 3.8631 7.7601 107.6957 43.9450 0.0000 171.6671 66 P 4.2508 0.0000 0.0000 66.1031 30.8205 177.3251 67 N 4.5600 8.1635 114.5090 54.4974 38.9768 175.8248 68 C 5.1752 8.1004 115.2307 54.8577 42.7380 174.1443 69 G 4.1102 8.9188 113.3033 44.6578 0.0000 172.9882 70 F 4.5436 8.6512 122.5774 57.4072 40.3826 175.5352 71 G 3.4799 7.2764 115.8301 43.5620 0.0000 173.0810 72 K 3.7577 7.9972 127.4206 59.4262 32.2603 177.5819 73 T 3.9189 7.5517 111.4817 62.8556 67.7008 175.2279 74 G 3.8494 8.5471 110.1530 44.9487 0.0000 172.4292 75 I 4.5100 7.0596 119.8935 59.2946 39.7558 175.0825 76 I 3.7801 8.0277 128.8526 60.4017 38.3522 174.3038 77 D 4.7743 8.5161 127.3090 53.0533 41.8387 175.2186 78 Y 4.5401 8.8025 123.9081 57.6598 38.7943 176.9894 79 G 3.8867 8.6881 107.5979 44.6598 0.0000 172.9727 80 I 4.2671 7.9427 119.6003 60.8980 37.1956 176.5021 81 R 4.2913 8.5538 125.8602 55.4244 30.8208 176.7532 82 L 3.9529 8.7581 124.8133 57.6345 42.5931 176.2583 83 N 4.7560 8.0668 119.4279 52.2146 38.4495 174.9910 84 R 4.4179 8.4910 124.5449 57.4880 30.4716 178.2540 85 S 4.6169 8.5556 113.8638 58.5932 63.6460 174.4848 86 E 4.0400 8.3210 121.0838 56.7647 29.8022 176.1358 87 R 5.0568 8.0097 120.9452 54.5158 31.9406 175.3078 88 W 5.0422 9.2463 123.2878 55.7877 33.8443 173.1227 89 D 5.3901 8.9120 120.4208 54.4991 43.5934 175.4175 90 A 5.1983 8.4480 119.8237 51.4689 23.2994 175.4098 91 Y 4.9058 9.0700 119.0486 56.6806 40.0887 174.3928 92 C 5.1800 8.6992 122.6076 55.3448 40.7255 172.3349 93 Y 5.1707 9.2083 123.3792 55.9254 41.0488 174.0068 94 N 4.5605 8.7383 125.6403 51.0240 40.9919 172.4009 95 P 4.2178 0.0000 0.0000 64.1745 31.8913 176.2475 96 H 4.4879 8.1141 122.0048 56.0812 28.7388 174.6248 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 G 8.21 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 2 V 8.38 5.01 1.81 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 0.79 0.00 0.00 1.03 0.00 0.00 3 Y 8.74 4.92 0.00 3.15 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 4 H 9.36 5.03 0.00 3.38 3.45 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 5 R 8.77 4.82 0.00 1.63 1.76 0.00 3.38 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 6 E 8.65 5.06 0.00 2.09 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 2.16 2.27 0.00 7 A 8.69 4.11 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 8 R 8.53 3.98 0.00 1.91 2.06 0.00 3.01 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 9 S 7.94 4.15 0.00 3.99 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 10 G 6.87 3.69 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 0.00 0.00 0.00 11 K 8.24 4.03 0.00 1.56 1.50 0.00 1.64 0.00 0.00 1.11 0.00 0.00 2.32 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.34 1.05 7.81 12 Y 9.30 4.01 0.00 3.03 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 13 K 8.03 4.66 0.00 1.90 1.79 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.62 7.81 14 L 8.27 4.97 0.00 2.10 1.70 1.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.88 5.37 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 1.33 0.00 0.00 16 Y 7.83 2.39 0.00 1.43 2.41 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 0.00 17 A 7.66 3.63 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 18 E 7.98 3.81 0.00 2.26 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 2.30 2.28 0.00 19 A 8.14 3.98 1.43 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 0.00 0.00 0.00 20 K 7.74 3.64 0.00 1.25 1.60 0.00 1.46 0.00 0.00 1.42 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.35 7.81 21 A 7.79 3.99 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 22 V 7.96 3.50 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 1.06 0.00 0.00 0.92 0.00 0.00 23 C 8.18 4.33 0.00 3.02 3.06 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 24 E 8.27 4.21 0.00 2.17 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 2.28 2.21 0.00 25 F 8.50 4.10 0.00 3.06 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 26 E 8.15 4.43 0.00 2.22 2.15 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 2.57 2.67 0.00 27 G 8.68 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 0.00 0.00 0.00 28 G 8.33 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 29 H 9.03 5.21 0.00 3.16 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.69 4.55 0.00 1.66 1.76 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 31 A 9.42 4.54 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 32 T 8.98 4.32 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 1.26 0.00 0.00 33 Y 8.86 3.91 0.00 3.09 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 34 K 8.12 4.01 0.00 1.83 1.81 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.63 7.81 35 Q 7.93 3.73 0.00 2.04 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 1.68 2.05 0.00 36 L 7.98 3.84 0.00 1.65 1.44 0.70 0.41 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 37 E 8.10 3.66 0.00 1.67 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 2.26 2.30 0.00 38 A 8.14 3.90 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 39 A 8.03 3.94 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 40 R 8.25 4.21 0.00 1.92 2.06 0.00 3.07 0.00 0.00 3.09 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.43 0.00 41 K 8.13 4.01 0.00 1.85 2.06 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.50 7.81 42 I 7.13 4.36 1.90 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 1.47 0.95 0.92 0.00 0.00 43 G 8.13 4.07 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 0.00 0.00 0.00 44 F 8.61 4.70 0.00 3.16 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 45 H 8.35 4.81 0.00 3.07 3.07 0.00 5.95 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.02 4.04 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 0.52 0.00 0.00 0.49 0.00 0.00 47 C 8.33 4.30 0.00 2.92 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 48 A 6.92 4.57 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 49 A 9.13 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.19 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 W 9.15 5.06 0.00 3.49 3.40 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 52 M 9.65 5.56 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.60 0.00 53 A 8.95 4.21 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 54 K 9.47 3.94 0.00 1.99 2.00 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.39 7.81 55 G 8.20 3.54 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 0.00 0.00 0.00 0.00 56 R 7.71 4.70 0.00 1.95 1.89 0.00 3.18 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 57 V 7.93 4.57 1.43 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 -0.40 0.00 0.00 -0.53 0.00 0.00 58 G 8.15 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 0.00 0.00 0.00 0.00 59 Y 7.35 4.60 0.00 3.07 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 60 P 0.00 5.04 0.00 2.17 2.03 0.00 3.66 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 61 I 8.80 4.72 1.92 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 0.92 0.73 0.95 0.00 0.00 62 V 8.88 4.22 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 0.85 0.00 0.00 0.97 0.00 0.00 *65 G 7.76 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 0.00 0.00 0.00 66 P 0.00 4.25 0.00 2.21 2.25 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 67 N 8.16 4.56 0.00 2.75 2.89 0.00 0.00 6.70 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 68 C 8.10 5.18 0.00 3.13 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 69 G 8.92 4.11 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 0.00 0.00 0.00 70 F 8.65 4.54 0.00 2.99 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 71 G 7.28 3.48 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 0.00 0.00 0.00 0.00 72 K 8.00 3.76 0.00 1.67 1.77 0.00 1.76 0.00 0.00 1.92 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.51 7.81 73 T 7.55 3.92 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 1.26 0.00 0.00 74 G 8.55 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 75 I 7.06 4.51 1.69 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.41 0.66 0.00 0.00 76 I 8.03 3.78 0.56 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.59 0.67 0.00 0.00 77 D 8.52 4.77 0.00 2.63 2.53 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 78 Y 8.80 4.54 0.00 2.49 2.62 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 79 G 8.69 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 0.00 0.00 0.00 80 I 7.94 4.27 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 1.42 0.57 0.96 0.00 0.00 81 R 8.55 4.29 0.00 2.20 2.07 0.00 3.46 0.00 0.00 2.95 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.40 0.00 82 L 8.76 3.95 0.00 1.61 1.74 0.94 0.99 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 83 N 8.07 4.76 0.00 2.91 2.84 0.00 0.00 7.21 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 84 R 8.49 4.42 0.00 1.89 1.86 0.00 2.59 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.47 0.00 85 S 8.56 4.62 0.00 4.08 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 86 E 8.32 4.04 0.00 2.67 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 0.00 2.36 2.54 0.00 87 R 8.01 5.06 0.00 1.66 1.98 0.00 3.28 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 88 W 9.25 5.04 0.00 2.81 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 89 D 8.91 5.39 0.00 2.92 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 90 A 8.45 5.20 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 91 Y 9.07 4.91 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 92 C 8.70 5.18 0.00 1.24 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 93 Y 9.21 5.17 0.00 2.97 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 94 N 8.74 4.56 0.00 2.74 2.73 0.00 0.00 7.30 7.21 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 95 P 0.00 4.22 0.00 2.07 2.09 0.00 3.33 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.81 0.00 96 H 8.11 4.49 0.00 3.09 3.21 0.00 5.88 0.00 0.00 0.00 0.00 6.91 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.