NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 N 4.6327 8.4249 119.1979 53.8045 39.1815 173.4409 -5 L 4.0800 8.0683 124.8561 54.0236 42.0275 175.0574 -4 Y 4.1153 8.8811 119.6427 57.2678 39.6660 174.7731 -3 F 4.9292 8.1723 121.1169 54.8195 41.0650 175.1635 -2 Q 4.2785 8.1401 123.5378 55.8378 29.2319 176.3934 -1 G 3.9134 8.5053 112.0280 46.0852 0.0000 173.0745 0 H 4.9347 9.0573 117.3040 55.5128 31.1730 172.3375 -4 Y 4.1153 8.8811 119.6427 57.2678 39.6660 174.7731 -3 V 4.4292 7.9023 120.0169 59.3195 34.3650 175.6635 -2 T 4.2885 7.9701 117.3378 61.9378 69.6319 175.0934 -1 I 4.1234 8.1753 123.1280 62.0852 40.4631 174.5745 0 V 4.3247 8.6673 118.3040 62.7128 35.0730 174.5375 7 Y 5.2632 9.5768 126.2042 56.4803 40.1276 174.5383 8 A 5.0977 9.5099 126.2041 50.2480 22.3074 174.6051 9 S 5.1874 8.8879 118.7555 56.8741 64.6715 173.8156 10 V 4.5105 8.3680 125.0459 60.4615 33.7588 175.7142 11 K 4.0159 9.0851 126.3524 56.8175 32.5386 178.0777 12 T 3.8411 8.6964 117.6636 64.7497 67.2716 174.0930 13 D 4.8838 7.9599 118.2185 52.9548 39.8413 176.4254 14 K 4.2762 8.1413 116.5886 56.0948 33.8544 178.2149 15 T 4.0692 8.0567 112.7225 65.2149 68.5239 176.1261 16 E 3.9981 8.1141 120.8057 58.8109 29.5998 178.8981 17 A 3.7411 7.6132 120.3811 55.0096 18.2570 179.3233 18 F 4.4078 8.5743 119.4655 61.3959 39.3926 177.4286 19 K 3.7928 8.2343 118.2428 59.4134 31.6226 178.9623 20 E 3.9154 8.0204 118.3066 59.2224 29.6934 178.3499 21 A 4.2493 7.9054 119.7206 55.6348 18.7220 179.5145 22 T 4.1755 8.1317 114.2609 66.1422 68.3039 177.1955 23 R 3.9177 7.8661 117.7608 57.3752 29.8609 177.3018 *25 N 4.5442 8.0288 116.6908 53.5713 40.8969 175.6422 26 H 4.0076 8.5875 117.5627 59.5808 29.6492 176.9043 27 E 3.8848 8.1680 118.8853 59.4676 29.6113 179.0134 28 Q 4.0201 7.6762 117.2589 58.5225 29.0238 178.4015 29 S 4.3854 8.0081 118.0889 60.5929 62.4584 176.3215 30 I 4.0544 7.2863 115.6289 62.2829 37.3863 177.3275 31 R 4.2968 7.2088 118.0168 55.4810 30.8819 176.3329 32 E 4.2125 7.6422 120.1143 55.1027 30.2316 174.6637 33 P 4.2441 0.0000 0.0000 64.1428 31.9214 177.1513 34 G 4.0696 8.9775 110.1900 46.2965 0.0000 172.7373 35 N 3.9886 7.8708 118.6260 53.2626 39.8125 173.4920 *37 R 4.1186 8.0743 118.8791 55.5907 31.8873 175.5799 38 F 4.9618 7.9920 121.6019 57.2808 38.4904 174.2893 39 D 4.6621 8.4979 120.5790 54.5222 42.5555 177.2800 40 I 4.8677 8.3635 123.3623 59.6513 39.1435 174.9286 41 L 4.9578 9.2563 127.2108 52.8247 45.3370 175.2623 42 Q 4.5922 8.4697 122.7677 53.7902 31.5928 174.9543 43 S 4.1561 8.7630 121.8773 58.3454 62.8846 175.0662 44 A 4.0872 8.7632 129.8343 55.1628 18.4221 178.2357 45 D 4.4376 7.7879 114.1538 56.1625 41.5314 176.3566 46 D 4.3492 7.6156 117.9941 52.4596 42.3872 173.7477 47 P 4.2041 0.0000 0.0000 64.8564 31.6104 177.1103 48 T 4.3664 8.4389 109.4569 62.5291 70.2618 174.1550 49 R 5.0078 7.8194 123.1829 54.7647 32.1947 175.2860 50 F 5.4166 9.5650 122.6417 55.6041 43.4276 174.3688 51 V 5.6513 8.9887 120.1442 61.4092 34.7550 174.0786 52 L 4.8581 8.6249 127.4334 53.4464 43.3614 175.4782 53 Y 4.2465 8.7128 126.8868 56.1870 39.6834 174.1096 54 E 4.4435 8.1593 126.4808 54.4037 31.1249 175.1905 55 A 5.1875 8.3304 126.7727 50.1959 21.0973 174.9297 56 Y 4.8555 8.6315 118.7476 55.8404 41.5333 175.7622 57 K 4.2893 9.4719 122.1116 59.4482 32.7457 177.5894 58 T 4.7616 7.9166 107.5342 58.6353 72.1251 174.4453 59 R 3.0529 8.5427 122.2620 59.4956 29.9234 179.0343 60 K 3.8088 7.7690 117.6706 59.0500 31.6265 178.8179 61 D 4.2126 7.9402 119.1927 57.3561 40.6483 178.7455 62 A 2.5800 7.3615 120.7655 54.5398 18.0809 179.4603 63 A 3.7086 7.8260 119.2858 55.2306 18.4204 179.7622 64 A 3.8237 7.7410 119.1437 55.2297 18.4752 179.0575 65 H 4.0674 7.5377 116.9501 59.5243 29.6274 176.8368 66 K 3.3518 7.2806 116.9350 57.2637 32.0328 177.9418 67 E 4.3631 7.7859 118.6732 56.4264 30.5203 176.6048 68 T 4.1118 7.1107 109.3379 60.8126 70.0355 175.4783 69 A 4.0080 8.6813 125.5565 55.7259 18.3785 179.9390 70 H 4.2947 8.1264 113.2285 58.7676 28.6845 177.0205 71 Y 4.1157 7.5500 121.8971 60.6014 38.6769 178.1164 72 L 3.7274 7.8628 119.7414 57.9352 41.6412 179.6516 73 T 3.7740 8.4024 115.8914 66.3191 68.3964 176.2161 74 W 4.0093 8.2263 130.0815 60.4888 30.4511 177.6562 75 R 3.3702 8.2299 118.7938 59.6129 29.2237 178.1499 76 D 4.2331 7.5658 116.8883 57.5267 40.8142 178.7136 77 T 3.5485 7.4786 115.3845 66.2130 68.7380 176.5467 78 V 2.9633 6.9635 111.9737 61.0253 31.5862 177.8263 79 A 3.7635 6.6208 120.9868 55.4527 18.0828 178.7096 80 D 4.5186 7.5206 111.5185 55.4107 41.4972 177.4542 81 W 4.6925 7.8951 121.7444 55.0092 27.6446 176.2352 *83 A 4.5470 7.9489 123.9130 51.4953 20.2302 176.3490 84 E 4.7212 7.7001 110.7318 54.5457 31.8584 173.4259 85 P 4.3240 0.0000 0.0000 62.9442 31.8117 176.9019 86 R 4.4638 8.5811 121.3134 56.4274 31.0874 175.7962 87 K 4.7130 9.0995 122.9214 54.5977 35.4738 174.8146 88 G 4.7539 8.9227 113.7639 44.5330 0.0000 172.2820 89 V 4.5248 8.6263 125.3695 61.1611 33.4821 174.7707 90 I 4.6194 8.1956 128.8425 60.8734 37.9739 174.8040 91 Y 4.7256 8.3497 123.2476 56.0763 41.7646 174.8050 92 G 4.0980 8.7204 108.8489 44.4609 0.0000 173.5296 93 G 3.8425 8.6792 112.1852 46.1826 0.0000 173.3887 94 L 4.2137 8.6774 126.4827 56.6489 42.3993 177.1304 95 Y 4.8081 7.3390 113.5782 55.2195 41.8206 173.2682 96 P 4.6702 0.0000 0.0000 62.8817 32.2206 176.5630 97 T 3.7292 8.5416 109.8816 62.1271 69.4648 174.9821 98 G 4.1654 8.1035 114.8060 45.8638 0.0000 173.1006 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 -6 N 8.42 4.63 0.00 2.72 2.83 0.00 0.00 6.94 6.89 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 -5 L 8.07 4.08 0.00 1.33 1.33 0.80 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 -4 Y 8.88 4.12 0.00 3.11 2.80 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 -3 F 8.17 4.93 0.00 3.16 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 -2 Q 8.14 4.28 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 -1 G 8.51 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 9.06 4.93 0.00 3.08 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 Y 8.88 4.12 0.00 3.11 2.80 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 -3 V 7.90 4.43 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 1.18 0.00 0.00 0.93 0.00 0.00 -2 T 7.97 4.29 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 -1 I 8.18 4.12 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 1.34 0.56 0.91 0.00 0.00 0 V 8.67 4.32 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 0.93 0.00 0.00 7 Y 9.58 5.26 0.00 2.97 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 8 A 9.51 5.10 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 9 S 8.89 5.19 0.00 3.78 3.82 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 10 V 8.37 4.51 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 0.80 0.00 0.00 0.09 0.00 0.00 11 K 9.09 4.02 0.00 1.85 1.75 0.00 1.92 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.60 7.81 12 T 8.70 3.84 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 1.21 0.00 0.00 13 D 7.96 4.88 0.00 2.76 2.69 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 14 K 8.14 4.28 0.00 1.64 1.18 0.00 0.61 0.00 0.00 1.22 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.17 1.30 7.81 15 T 8.06 4.07 4.56 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 1.41 0.00 0.00 16 E 8.11 4.00 0.00 1.94 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 2.32 0.00 17 A 7.61 3.74 0.13 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 18 F 8.57 4.41 0.00 3.18 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 19 K 8.23 3.79 0.00 2.03 1.91 0.00 1.96 0.00 0.00 1.95 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.90 7.81 20 E 8.02 3.92 0.00 2.00 2.24 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 2.38 2.36 0.00 21 A 7.91 4.25 1.46 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 0.00 0.00 22 T 8.13 4.18 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 1.16 0.00 0.00 23 R 7.87 3.92 0.00 2.01 2.13 0.00 3.14 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 *25 N 8.03 4.54 0.00 2.81 2.86 0.00 0.00 6.72 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 26 H 8.59 4.01 0.00 3.40 3.60 0.00 5.84 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 27 E 8.17 3.88 0.00 1.93 1.97 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 2.38 2.61 0.00 28 Q 7.68 4.02 0.00 1.49 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 29 S 8.01 4.39 0.00 2.72 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 30 I 7.29 4.05 1.79 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 1.59 1.22 0.81 0.00 0.00 31 R 7.21 4.30 0.00 1.92 1.96 0.00 3.11 0.00 0.00 3.15 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 32 E 7.64 4.21 0.00 2.27 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 0.00 2.40 2.53 0.00 33 P 0.00 4.24 0.00 2.06 2.02 0.00 3.75 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 2.04 2.10 0.00 34 G 8.98 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 35 N 7.87 3.99 0.00 2.67 2.59 0.00 0.00 7.11 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 *37 R 8.07 4.12 0.00 1.93 2.01 0.00 3.25 0.00 0.00 3.43 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 38 F 7.99 4.96 0.00 3.03 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.50 4.66 0.00 2.72 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 40 I 8.36 4.87 1.92 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 0.91 1.05 0.00 0.00 41 L 9.26 4.96 0.00 1.57 1.52 0.84 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.47 4.59 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.91 0.00 0.00 0.00 0.00 0.00 1.95 1.40 0.00 43 S 8.76 4.16 0.00 3.86 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 44 A 8.76 4.09 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 45 D 7.79 4.44 0.00 2.70 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 46 D 7.62 4.35 0.00 2.64 2.44 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 0.00 0.00 0.00 0.00 47 P 0.00 4.20 0.00 2.21 2.12 0.00 3.77 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 1.97 1.94 0.00 48 T 8.44 4.37 4.51 0.00 0.00 0.00 0.00 0.00 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 49 R 7.82 5.01 0.00 1.75 1.89 0.00 3.25 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 50 F 9.57 5.42 0.00 3.08 3.29 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 51 V 8.99 5.65 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 0.93 0.00 0.00 0.85 0.00 0.00 52 L 8.62 4.86 0.00 1.41 1.18 1.23 0.59 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 53 Y 8.71 4.25 0.00 2.94 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 54 E 8.16 4.44 0.00 1.74 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 1.47 1.98 0.00 55 A 8.33 5.19 1.01 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 0.00 0.00 0.00 0.00 0.00 56 Y 8.63 4.86 0.00 2.95 2.89 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 57 K 9.47 4.29 0.00 1.83 1.94 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.61 7.81 58 T 7.92 4.76 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 1.23 0.00 0.00 59 R 8.54 3.05 0.00 1.67 1.74 0.00 2.97 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 60 K 7.77 3.81 0.00 1.79 1.74 0.00 1.48 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.47 7.81 61 D 7.94 4.21 0.00 2.92 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 62 A 7.36 2.58 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.83 3.71 1.19 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 0.00 0.00 64 A 7.74 3.82 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 65 H 7.54 4.07 0.00 3.13 3.31 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.28 3.35 0.00 1.53 1.60 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.43 1.13 7.81 67 E 7.79 4.36 0.00 2.14 1.97 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 2.26 2.24 0.00 68 T 7.11 4.11 4.12 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 1.21 0.00 0.00 69 A 8.68 4.01 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 70 H 8.13 4.29 0.00 3.36 3.56 0.00 5.47 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 7.55 4.12 0.00 2.82 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 72 L 7.86 3.73 0.00 1.87 1.66 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.40 3.77 4.44 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 0.00 0.00 0.00 1.21 0.00 0.00 74 W 8.23 4.01 0.00 3.45 3.39 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 75 R 8.23 3.37 0.00 1.42 1.69 0.00 3.18 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 76 D 7.57 4.23 0.00 2.54 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 77 T 7.48 3.55 3.99 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 0.82 0.00 0.00 78 V 6.96 2.96 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 0.22 0.00 0.00 -0.19 0.00 0.00 79 A 6.62 3.76 1.16 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 0.00 0.00 80 D 7.52 4.52 0.00 2.52 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 W 7.90 4.69 0.00 3.43 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 *83 A 7.95 4.55 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 84 E 7.70 4.72 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.32 0.00 85 P 0.00 4.32 0.00 2.10 2.09 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 2.06 2.14 0.00 86 R 8.58 4.46 0.00 1.88 2.09 0.00 3.59 0.00 0.00 3.57 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.77 0.00 87 K 9.10 4.71 0.00 1.95 1.76 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.55 7.81 88 G 8.92 4.75 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 89 V 8.63 4.52 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 0.69 0.00 0.00 1.14 0.00 0.00 90 I 8.20 4.62 1.73 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 1.31 0.65 0.57 0.00 0.00 91 Y 8.35 4.73 0.00 2.72 2.81 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 92 G 8.72 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 93 G 8.68 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 94 L 8.68 4.21 0.00 1.40 1.15 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 7.34 4.81 0.00 2.96 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 96 P 0.00 4.67 0.00 2.22 2.10 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 97 T 8.54 3.73 3.92 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 1.17 0.00 0.00 98 G 8.10 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.