NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3319 8.1227 122.4585 51.4102 20.9674 175.2108 3 V 3.9762 8.2028 119.6914 62.6798 31.9330 173.7092 4 R 4.7836 9.9883 127.4411 54.5252 35.6793 173.5964 5 I 4.7554 8.8799 122.6023 60.3368 38.8582 175.4964 6 R 5.0164 8.6335 122.8258 55.3325 33.4094 173.3322 7 L 5.1354 8.3637 118.0459 53.3830 43.5474 176.3659 8 A 4.8545 8.6780 123.7425 49.6837 22.2406 175.6088 9 K 4.7746 8.9713 123.0584 57.0256 33.2691 175.7220 10 F 4.8204 9.2497 125.9636 58.7397 43.0872 174.6160 11 G 3.7979 8.7795 110.2454 45.1398 0.0000 172.6619 12 R 4.6115 8.1186 118.7148 53.6101 34.4115 174.3179 13 K 3.7399 8.4622 119.9452 58.7814 32.2116 177.0569 14 H 4.3693 9.0055 120.9980 56.7618 27.9236 174.9743 15 H 4.8508 7.9474 116.0505 53.2146 29.2079 170.5779 16 P 4.6533 0.0000 0.0000 62.6437 32.8156 177.1597 17 I 4.4987 8.4942 121.9349 59.7019 41.6226 173.8307 18 Y 5.4289 8.6291 123.3051 56.2693 40.8742 175.2110 19 R 4.5315 8.8638 124.3898 55.9399 31.8582 175.8921 20 I 4.4548 8.6971 125.3971 60.8748 38.3224 175.4907 21 V 4.5968 8.7239 120.4531 59.3016 35.9150 174.7140 22 V 4.5999 8.2619 122.9610 61.4808 33.0499 174.6144 23 M 5.0833 8.6321 124.2195 53.9441 35.2645 172.9294 24 D 5.2305 8.4422 119.1489 51.6740 42.8952 177.3511 25 A 4.3466 7.8112 130.4428 52.3614 17.1590 176.5159 *32 K 3.7794 7.0807 128.4801 55.1950 33.5697 177.3713 33 Y 5.0083 8.0478 110.8344 56.0697 41.6459 174.6198 34 I 3.9825 8.4575 123.5395 64.5900 37.7292 175.9666 35 D 4.6499 7.6463 118.3051 53.3555 44.6240 174.0415 36 I 4.7801 8.3117 123.5411 59.7697 39.0987 175.5717 37 L 4.5769 10.3448 126.2898 54.3493 43.3968 177.0377 38 G 4.3293 7.0058 106.4767 44.9625 0.0000 170.7917 39 T 5.0924 8.5610 115.7919 61.8940 72.5844 173.0684 40 Y 5.2109 9.1434 126.4880 55.7662 42.7907 173.4375 41 D 4.9547 7.8980 126.0036 51.7613 42.6095 174.9525 42 P 4.3328 0.0000 0.0000 65.2342 32.1603 178.2534 43 K 4.0963 8.1627 117.9032 59.5635 32.0917 178.4052 44 R 4.0704 8.0110 114.9421 56.2162 30.6057 176.4875 45 K 3.8972 7.6766 116.4278 57.9158 30.0371 175.3923 46 V 4.6695 6.9813 109.7677 59.5023 36.3787 176.1701 47 L 4.7953 8.4749 123.2839 54.0372 41.6928 176.7363 48 I 3.8974 8.6074 125.9270 64.0204 37.2926 176.4362 49 N 5.1294 8.0368 118.4215 51.2789 42.5153 173.4991 50 V 4.4418 7.7271 120.0132 60.4007 35.0341 174.7269 51 Y 4.7470 8.5118 120.9216 55.1808 38.3959 174.4677 52 P 4.3316 0.0000 0.0000 64.9493 31.7945 177.7978 53 E 4.0043 8.1928 116.5404 59.3252 29.6906 179.2206 54 K 4.1261 8.0887 119.0076 59.3550 32.2437 179.5923 55 V 3.8156 7.7684 112.2754 63.8037 31.4402 178.6184 56 K 3.7323 8.1082 119.6520 59.4382 32.0386 178.0197 57 E 3.6854 7.8470 118.9993 59.4643 29.5409 179.0242 58 W 4.2072 8.0892 118.3068 59.7417 29.3484 178.8561 59 V 3.8026 7.8575 118.2285 66.0472 30.7441 177.8692 60 L 3.9942 7.6827 116.9520 56.5928 41.6004 178.6960 61 K 4.2696 7.5523 116.9249 56.9614 31.9864 177.8180 62 G 4.0423 7.8785 107.4116 45.3829 0.0000 174.1590 63 V 3.8164 7.2445 117.8091 62.5745 32.3083 175.4487 64 E 4.5441 8.6032 125.5487 56.2865 30.8478 175.3615 65 L 5.2962 9.3351 124.5901 52.8443 44.2360 176.6188 66 S 4.7623 9.0152 118.3511 58.6818 64.0936 174.8749 67 H 4.3412 9.1381 120.1105 59.8405 29.6163 177.4308 68 R 3.8296 8.0095 119.5654 58.9618 30.0174 177.9996 69 A 3.8916 7.8210 120.3785 54.8196 18.3082 179.3725 70 K 3.8093 8.1094 117.8517 59.6178 32.1589 178.6634 71 A 3.8611 7.8602 120.9513 55.2230 18.2964 179.5189 72 I 3.4919 7.5516 118.0464 64.7374 37.1766 178.8139 73 L 4.0646 7.8376 119.4966 57.0837 41.3927 179.4842 74 W 3.9383 8.6446 128.9707 60.7016 30.5857 177.9987 75 N 4.5728 8.5383 115.3792 56.3355 37.8309 176.1340 76 H 4.6791 8.4512 116.2310 54.9725 28.6293 176.2685 77 G 4.1298 7.9216 108.5000 46.5892 0.0000 176.3224 78 I 3.6849 7.2619 122.7596 63.9828 36.9199 178.4269 79 L 3.8375 7.7800 119.9551 57.5059 41.2042 179.2901 80 K 3.6618 7.6097 118.2436 59.4448 32.1456 178.1539 81 E 4.0561 7.7673 116.6359 58.4211 29.6938 177.8694 82 V 4.0115 6.9804 110.0962 61.3757 33.6559 175.8410 83 V 3.7462 7.7151 120.2380 60.6570 31.2799 174.0055 84 P 4.4319 0.0000 0.0000 62.7280 31.9652 176.6901 85 E 4.1589 8.4836 117.0697 57.5075 30.1605 178.2435 86 G 4.0995 9.1976 109.8456 44.6706 0.0000 172.3161 87 Y 5.2651 7.5615 117.6762 56.1005 39.7990 175.1155 88 E 4.9046 9.5696 122.0176 54.6451 33.0054 174.5184 89 M 3.9070 8.5031 121.7521 54.6365 33.2554 175.2006 90 K 4.6386 9.3588 126.3026 54.5059 35.7379 175.0703 91 R 4.2682 8.4511 124.3926 55.2171 31.1072 176.0016 92 V 4.1644 8.3367 126.6816 61.3693 33.7387 176.9202 93 G 3.7545 8.1498 119.4864 46.9606 0.0000 173.9565 94 D 4.1609 8.7038 124.5416 54.9516 40.9898 174.4618 95 Y 5.1168 7.6350 116.7952 56.1933 42.2288 173.8346 96 Y 5.1877 9.2263 116.8997 56.5139 42.0525 175.3990 97 V 4.9259 8.8830 121.5087 61.3544 35.6422 173.7931 98 F 5.5216 9.1784 125.0293 55.9396 40.8972 174.7821 99 E 5.1454 9.4121 120.5910 54.2632 33.5296 174.5641 100 K 3.6820 8.4295 120.2857 57.2542 32.5310 176.3951 101 R 4.2226 9.4242 127.2120 57.7541 29.8111 177.3074 102 E 4.4349 7.6193 119.1184 56.7444 30.5521 177.8291 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 2 A 8.12 4.33 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 3 V 8.20 3.98 2.10 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 0.59 0.00 0.00 0.94 0.00 0.00 4 R 9.99 4.78 0.00 1.54 1.63 0.00 2.77 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.37 0.00 5 I 8.88 4.76 1.89 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 1.18 0.57 0.92 0.00 0.00 6 R 8.63 5.02 0.00 1.85 2.04 0.00 2.77 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 7 L 8.36 5.14 0.00 1.37 1.47 0.59 0.61 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 8 A 8.68 4.85 1.11 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 9 K 8.97 4.77 0.00 1.97 1.87 0.00 1.95 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.51 1.63 7.81 10 F 9.25 4.82 0.00 3.06 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 11 G 8.78 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.12 4.61 0.00 1.81 1.72 0.00 3.13 0.00 0.00 3.03 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 13 K 8.46 3.74 0.00 1.61 1.60 0.00 1.79 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.82 1.34 7.81 14 H 9.01 4.37 0.00 3.30 3.34 0.00 5.70 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 H 7.95 4.85 0.00 3.07 3.11 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.65 0.00 1.65 1.93 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.99 0.00 17 I 8.49 4.50 1.89 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 1.12 0.89 1.15 0.00 0.00 18 Y 8.63 5.43 0.00 3.18 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 19 R 8.86 4.53 0.00 1.48 1.56 0.00 2.73 0.00 0.00 2.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.87 0.00 20 I 8.70 4.45 1.83 0.00 0.00 0.79 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 0.61 0.86 0.00 0.00 21 V 8.72 4.60 1.47 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 -0.06 0.00 0.00 0.56 0.00 0.00 22 V 8.26 4.60 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 -0.29 0.00 0.00 0.15 0.00 0.00 23 M 8.63 5.08 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 24 D 8.44 5.23 0.00 2.66 2.57 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 25 A 7.81 4.35 1.25 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 *32 K 7.08 3.78 0.00 1.57 0.88 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 1.21 7.81 33 Y 8.05 5.01 0.00 2.90 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 34 I 8.46 3.98 1.64 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.41 0.87 0.00 0.00 35 D 7.65 4.65 0.00 2.59 2.32 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 36 I 8.31 4.78 1.89 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 1.24 0.78 0.99 0.00 0.00 37 L 10.34 4.58 0.00 1.54 1.73 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.01 4.33 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 0.00 39 T 8.56 5.09 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 1.36 0.00 0.00 40 Y 9.14 5.21 0.00 2.97 2.98 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 41 D 7.90 4.95 0.00 2.66 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 42 P 0.00 4.33 0.00 2.40 2.56 0.00 3.77 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 2.00 2.14 0.00 43 K 8.16 4.10 0.00 1.85 1.88 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.42 1.36 7.81 44 R 8.01 4.07 0.00 1.90 1.95 0.00 3.47 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 45 K 7.68 3.90 0.00 1.98 2.04 0.00 1.70 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.59 7.81 46 V 6.98 4.67 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 0.86 0.00 0.00 47 L 8.47 4.80 0.00 1.54 1.61 0.88 0.95 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 48 I 8.61 3.90 1.89 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 1.20 0.43 0.93 0.00 0.00 49 N 8.04 5.13 0.00 2.44 2.15 0.00 0.00 6.49 7.68 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 50 V 7.73 4.44 1.96 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 0.63 0.00 0.00 0.92 0.00 0.00 51 Y 8.51 4.75 0.00 2.95 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 52 P 0.00 4.33 0.00 2.15 2.07 0.00 3.65 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 53 E 8.19 4.00 0.00 2.15 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 2.39 2.35 0.00 54 K 8.09 4.13 0.00 2.19 2.12 0.00 1.78 0.00 0.00 2.18 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.64 1.59 7.81 55 V 7.77 3.82 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 0.89 0.00 0.00 0.88 0.00 0.00 56 K 8.11 3.73 0.00 1.87 1.72 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.77 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.29 1.48 7.81 57 E 7.85 3.69 0.00 2.00 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 1.51 1.98 0.00 58 W 8.09 4.21 0.00 3.48 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 59 V 7.86 3.80 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 0.59 0.00 0.00 0.96 0.00 0.00 60 L 7.68 3.99 0.00 1.53 1.40 0.56 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.55 4.27 0.00 2.01 1.93 0.00 1.05 0.00 0.00 1.41 0.00 0.00 2.71 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.37 1.42 7.81 62 G 7.88 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 63 V 7.24 3.82 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 0.89 0.00 0.00 1.20 0.00 0.00 64 E 8.60 4.54 0.00 1.67 1.63 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 2.42 2.31 0.00 65 L 9.34 5.30 0.00 1.95 1.74 1.25 0.92 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 66 S 9.02 4.76 0.00 3.98 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 0.00 67 H 9.14 4.34 0.00 3.44 3.40 0.00 5.86 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.01 3.83 0.00 1.90 1.82 0.00 3.16 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 69 A 7.82 3.89 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 70 K 8.11 3.81 0.00 1.85 1.65 0.00 1.39 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.47 1.07 7.81 71 A 7.86 3.86 1.25 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 72 I 7.55 3.49 1.60 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.53 0.53 0.00 0.00 73 L 7.84 4.06 0.00 1.75 1.70 0.92 0.81 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 74 W 8.64 3.94 0.00 3.52 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.54 4.57 0.00 2.92 2.92 0.00 0.00 7.17 8.27 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 76 H 8.45 4.68 0.00 3.32 3.33 0.00 5.76 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.92 4.13 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 0.00 0.00 0.00 78 I 7.26 3.68 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.37 0.86 0.00 0.00 79 L 7.78 3.84 0.00 1.43 1.47 1.35 0.64 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 80 K 7.61 3.66 0.00 1.38 1.78 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.35 7.81 81 E 7.77 4.06 0.00 2.05 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 2.38 2.27 0.00 82 V 6.98 4.01 1.96 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 0.68 0.00 0.00 0.86 0.00 0.00 83 V 7.72 3.75 1.98 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 0.82 0.00 0.00 0.31 0.00 0.00 84 P 0.00 4.43 0.00 2.42 2.02 0.00 3.43 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 85 E 8.48 4.16 0.00 1.98 1.74 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 2.23 1.88 0.00 86 G 9.20 4.10 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 0.00 0.00 0.00 87 Y 7.56 5.27 0.00 3.12 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 88 E 9.57 4.90 0.00 1.98 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 0.00 2.43 2.22 0.00 89 M 8.50 3.91 0.00 1.82 1.28 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.34 0.00 90 K 9.36 4.64 0.00 1.61 1.62 0.00 1.95 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.32 7.81 91 R 8.45 4.27 0.00 1.76 1.72 0.00 3.15 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.81 0.00 92 V 8.34 4.16 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 1.01 0.00 0.00 0.91 0.00 0.00 93 G 8.15 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 94 D 8.70 4.16 0.00 1.94 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 0.00 0.00 0.00 0.00 95 Y 7.64 5.12 0.00 2.95 2.95 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 96 Y 9.23 5.19 0.00 2.98 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 8.88 4.93 2.14 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 1.13 0.00 0.00 1.01 0.00 0.00 98 F 9.18 5.52 0.00 3.19 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 99 E 9.41 5.15 0.00 2.04 2.10 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 2.24 2.28 0.00 100 K 8.43 3.68 0.00 1.50 1.30 0.00 1.40 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.43 7.81 101 R 9.42 4.22 0.00 1.53 1.97 0.00 3.33 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 102 E 7.62 4.43 0.00 1.92 1.63 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 2.04 1.77 0.00 * Residues marked with a * may have inaccurate shift predictions.