NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.0905 8.2993 119.9957 56.5774 33.7873 175.5071 12 F 4.4807 8.0511 116.4843 55.0307 37.1517 174.0275 13 R 3.8611 8.3528 127.7092 53.4955 32.3556 182.2533 14 V 3.1556 8.6689 123.1515 62.8693 31.6781 174.7190 15 R 3.5117 9.0911 105.6179 57.2470 27.9307 176.3371 16 N 4.3267 7.8367 124.0160 56.2650 39.1692 175.8722 17 R 4.0994 7.5212 115.9882 57.0435 30.5463 175.5580 18 I 3.6243 8.4425 122.6394 62.8694 35.5453 174.8277 19 K 4.1605 7.4187 115.9193 56.6650 31.9317 176.4278 20 R 4.3194 7.8091 117.3683 56.4125 30.2132 174.6054 21 T 4.4221 8.3214 117.3115 65.1956 71.2248 177.9353 22 G 3.8796 7.8669 110.3863 45.2366 0.0000 171.1417 23 R 3.6181 8.9711 123.1587 55.8476 31.1542 174.2262 24 L 3.6042 8.2775 125.4361 54.6941 39.3682 173.0528 25 R 4.4259 8.4437 124.3919 54.4771 32.3768 175.0599 26 L 4.4841 8.4432 129.0481 54.1119 41.9633 173.5614 27 S 4.5329 8.9986 120.6318 57.2081 64.3855 172.8909 28 V 4.8344 8.3836 125.0783 61.0776 33.3209 174.1953 29 F 5.1535 9.2608 130.6779 56.6982 41.5290 174.2189 30 R 4.5767 8.9296 126.9043 54.5391 30.2642 175.0363 31 S 4.0955 7.7763 119.6839 56.8242 63.2851 174.1980 32 L 4.0664 8.4514 125.0312 57.4466 41.6870 178.5273 33 K 4.3799 7.8371 116.1240 58.1675 33.3702 175.5309 34 H 5.4826 7.4259 116.3087 54.6706 32.5229 172.4117 35 I 4.7565 8.0060 116.9025 61.4741 41.3142 174.3426 36 Y 5.4702 9.5842 126.4087 56.2517 42.2102 174.3372 37 A 5.2119 9.6339 122.6199 50.4041 22.9995 175.0838 38 Q 4.6736 9.1368 122.5665 54.4518 32.7179 174.3112 39 I 4.6851 8.8833 129.3241 60.8299 38.2239 174.8881 40 I 4.7984 8.8648 129.2979 59.4606 39.5267 174.7538 41 D 4.9333 8.8256 127.4534 52.9119 41.7119 176.0075 42 D 4.6860 8.2719 126.9433 54.6015 42.4947 176.6712 43 E 4.1342 9.1268 118.3409 58.1167 28.8060 175.4261 44 K 4.4739 7.5100 116.0991 53.6380 33.1120 173.5179 45 G 3.9445 7.8146 107.8551 45.7685 0.0000 170.3686 46 V 4.3935 7.9554 123.4439 61.8076 35.4937 172.0883 47 T 5.0126 8.5582 123.3303 62.3580 69.8252 174.3710 48 L 4.7770 8.5645 122.3280 54.5408 44.8159 177.1507 49 V 4.5155 7.7235 118.1232 61.1836 34.7550 174.3584 50 S 5.3153 8.6732 122.3934 57.0658 66.6622 173.2220 51 A 4.7595 8.7938 122.7869 51.2897 22.9170 175.5582 52 S 4.6735 8.2683 114.9967 56.6875 66.5927 174.8343 53 S 4.5219 8.1613 122.0010 57.5965 61.2152 176.0622 54 L 4.6109 8.5841 117.0479 56.8481 41.6525 177.4997 55 A 4.7058 7.5118 120.0449 52.4298 18.4514 177.5879 56 L 4.6790 8.7368 120.8674 55.1901 45.7182 174.2990 57 K 4.2096 8.3566 116.0504 53.5267 31.1328 175.0473 58 L 3.3350 8.7747 124.2836 56.1967 41.8189 173.1628 59 K 3.6184 8.2411 122.1775 57.2688 32.8644 174.7199 60 G 4.1397 8.3032 109.5036 45.4152 0.0000 171.4734 61 N 4.9692 7.9388 118.0148 51.4654 41.4840 175.2593 62 K 3.9816 8.6098 125.1390 59.4052 32.4224 179.2446 63 T 3.8284 7.8569 108.0680 65.2927 68.2712 175.4097 64 E 4.0625 8.1021 121.4375 58.6172 29.5249 179.3262 65 V 3.8423 7.7434 117.8032 64.7951 31.4803 175.4783 66 A 4.1012 7.6604 122.9040 54.5991 18.0784 175.1631 67 R 4.2684 9.0114 125.9707 57.1288 27.9611 176.6748 68 Q 3.7708 8.3410 116.1111 59.2857 28.8365 180.1698 69 V 3.6870 8.1588 120.0032 64.7056 31.6111 178.3627 70 G 3.9419 8.1971 107.0051 47.4532 0.0000 174.9095 71 R 3.9108 8.8549 120.9181 59.2055 30.1281 178.6738 72 A 3.9875 7.8474 120.0098 55.3033 18.3395 179.1114 73 L 3.8659 8.4060 118.6669 58.3762 42.1557 178.8164 74 A 3.9935 8.6208 120.6155 55.5453 18.4685 179.0151 75 E 3.8755 8.4721 116.9940 59.8102 29.3788 179.6579 76 K 3.8802 8.0521 117.0410 60.3757 32.4767 178.3130 77 A 3.8184 8.7401 119.9100 54.6671 17.8837 179.2943 78 L 3.6477 8.6803 115.4565 57.3521 42.1083 179.5248 79 A 4.0258 7.5892 119.5146 54.0745 18.6145 178.0353 80 L 4.6154 8.7999 118.5684 55.3886 40.8100 178.5962 81 G 3.8847 8.4106 107.1953 46.9153 0.0000 174.5948 82 I 3.7816 7.2897 120.0684 61.9955 35.6794 175.1772 83 K 4.3597 8.0377 122.9506 57.7402 34.0324 176.6715 84 Q 4.5771 7.6625 118.9588 56.0697 30.0698 176.5602 85 V 4.3070 7.8385 112.0719 61.3440 35.3788 171.6414 86 A 4.6959 7.9980 121.3693 51.4362 22.4315 176.4652 87 F 4.5310 9.1004 125.7703 59.5528 40.4712 172.4406 88 D 4.3292 6.9466 120.4147 54.7481 42.3838 179.5079 89 R 3.2369 8.8465 109.5882 55.8772 31.1575 173.0811 90 G 3.6703 8.0767 111.1947 47.5282 0.0000 173.0108 91 P 4.3268 0.0000 0.0000 65.1595 31.1876 180.9667 92 Y 3.6135 8.2638 115.4494 57.9106 40.7034 175.6808 93 K 3.5599 8.4653 118.2159 57.7527 31.2922 177.5715 94 Y 3.5613 6.1994 113.4124 58.4475 36.1768 172.9490 95 H 4.2751 8.1685 131.8565 56.4431 32.4946 173.5519 96 G 3.1282 7.3703 98.5511 46.9340 0.0000 173.6693 97 R 3.7508 7.9995 111.5174 56.0797 30.1880 176.4382 98 V 4.0245 7.6740 118.6883 62.5728 34.4897 172.4132 99 K 4.2218 8.1703 128.1831 54.6033 30.8147 177.2227 100 A 3.9913 7.4057 121.1187 52.4057 17.8979 176.4100 101 L 4.5151 7.9490 121.0619 53.5876 45.0714 176.4342 102 A 4.0868 8.5355 128.4602 53.1711 17.8567 173.8779 103 E 3.8043 8.4743 115.5886 57.0106 28.1329 175.2233 104 G 3.7161 8.0816 105.8658 46.6308 0.0000 173.3240 105 A 4.4097 9.0537 125.9678 52.3905 18.2565 179.2369 106 R 4.2866 7.5450 118.4309 57.2751 30.2232 176.1112 107 E 3.6081 8.3573 119.9947 56.5949 30.3105 174.5263 108 G 3.7678 8.5833 108.0488 46.0141 0.0000 174.0663 *109 G 3.7078 7.9220 113.1759 45.7345 0.0000 172.8506 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 11 K 8.30 4.09 0.00 1.73 1.78 0.00 1.52 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.32 7.81 12 F 8.05 4.48 0.00 3.14 3.14 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 13 R 8.35 3.86 0.00 1.86 1.84 0.00 3.39 0.00 0.00 3.16 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 14 V 8.67 3.16 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 0.81 0.00 0.00 1.01 0.00 0.00 15 R 9.09 3.51 0.00 1.99 1.98 0.00 3.06 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 16 N 7.84 4.33 0.00 2.47 2.73 0.00 0.00 6.99 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 17 R 7.52 4.10 0.00 1.74 1.87 0.00 3.24 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 18 I 8.44 3.62 1.84 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 1.27 0.19 0.89 0.00 0.00 19 K 7.42 4.16 0.00 1.75 2.02 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.40 7.81 20 R 7.81 4.32 0.00 1.81 1.86 0.00 3.34 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 21 T 8.32 4.42 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 22 G 7.87 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 0.00 0.00 0.00 23 R 8.97 3.62 0.00 1.93 1.95 0.00 3.31 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 24 L 8.28 3.60 0.00 1.89 1.75 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.44 4.43 0.00 1.87 1.75 0.00 3.08 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 26 L 8.44 4.48 0.00 1.91 1.63 1.16 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.00 4.53 0.00 3.94 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 28 V 8.38 4.83 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 0.93 0.00 0.00 1.00 0.00 0.00 29 F 9.26 5.15 0.00 2.92 2.66 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 0.00 0.00 0.00 0.00 30 R 8.93 4.58 0.00 1.86 1.88 0.00 3.33 0.00 0.00 3.15 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 31 S 7.78 4.10 0.00 3.29 3.70 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 32 L 8.45 4.07 0.00 1.65 1.73 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.84 4.38 0.00 1.66 1.98 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.58 7.81 34 H 7.43 5.48 0.00 3.19 3.09 0.00 5.95 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.01 4.76 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.28 0.94 0.00 0.00 36 Y 9.58 5.47 0.00 2.95 2.82 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 37 A 9.63 5.21 1.28 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 0.00 0.00 0.00 38 Q 9.14 4.67 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 39 I 8.88 4.69 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.29 0.94 0.00 0.00 40 I 8.86 4.80 1.86 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 1.12 1.23 0.97 0.00 0.00 41 D 8.83 4.93 0.00 2.81 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.27 4.69 0.00 2.68 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 43 E 9.13 4.13 0.00 2.13 2.11 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 2.20 2.31 0.00 44 K 7.51 4.47 0.00 1.68 1.69 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.42 7.81 45 G 7.81 3.94 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 0.00 0.00 0.00 46 V 7.96 4.39 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 0.85 0.00 0.00 0.97 0.00 0.00 47 T 8.56 5.01 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 1.24 0.00 0.00 48 L 8.56 4.78 0.00 1.51 1.67 1.04 0.59 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 49 V 7.72 4.52 2.11 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 1.15 0.00 0.00 0.95 0.00 0.00 50 S 8.67 5.32 0.00 3.78 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 51 A 8.79 4.76 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 52 S 8.27 4.67 0.00 3.10 3.70 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 53 S 8.16 4.52 0.00 3.93 3.45 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 54 L 8.58 4.61 0.00 0.89 1.12 0.91 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.51 4.71 1.14 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 56 L 8.74 4.68 0.00 1.43 1.87 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.36 4.21 0.00 1.90 0.96 0.00 1.81 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.21 1.14 7.81 58 L 8.77 3.34 0.00 1.71 1.56 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.24 3.62 0.00 1.83 2.04 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.36 1.41 7.81 60 G 8.30 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 61 N 7.94 4.97 0.00 2.71 2.62 0.00 0.00 7.11 6.01 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 62 K 8.61 3.98 0.00 1.81 1.80 0.00 1.73 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.47 7.81 63 T 7.86 3.83 4.20 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 1.16 0.00 0.00 64 E 8.10 4.06 0.00 2.05 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 2.38 2.41 0.00 65 V 7.74 3.84 2.27 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 0.96 0.00 0.00 0.97 0.00 0.00 66 A 7.66 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 67 R 9.01 4.27 0.00 1.90 2.33 0.00 3.20 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 68 Q 8.34 3.77 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 69 V 8.16 3.69 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 0.93 0.00 0.00 0.96 0.00 0.00 70 G 8.20 3.94 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 0.00 0.00 0.00 71 R 8.85 3.91 0.00 1.94 2.00 0.00 3.31 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 72 A 7.85 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 73 L 8.41 3.87 0.00 1.88 1.89 1.01 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.62 3.99 1.41 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 0.00 0.00 75 E 8.47 3.88 0.00 2.17 2.03 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 2.34 2.49 0.00 76 K 8.05 3.88 0.00 1.90 1.91 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.60 7.81 77 A 8.74 3.82 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 78 L 8.68 3.65 0.00 1.66 1.77 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.59 4.03 1.41 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 0.00 0.00 80 L 8.80 4.62 0.00 1.80 1.85 1.05 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.41 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 0.00 0.00 0.00 82 I 7.29 3.78 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 0.94 0.00 0.00 83 K 8.04 4.36 0.00 1.81 1.77 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.44 7.81 84 Q 7.66 4.58 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.62 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 85 V 7.84 4.31 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 0.75 0.00 0.00 1.02 0.00 0.00 86 A 8.00 4.70 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 87 F 9.10 4.53 0.00 3.09 3.12 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 88 D 6.95 4.33 0.00 2.57 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 0.00 0.00 0.00 0.00 89 R 8.85 3.24 0.00 2.01 2.21 0.00 3.67 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 90 G 8.08 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 1.98 2.05 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.90 0.00 92 Y 8.26 3.61 0.00 3.23 3.27 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 93 K 8.47 3.56 0.00 2.15 1.97 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.42 7.81 94 Y 6.20 3.56 0.00 2.42 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 95 H 8.17 4.28 0.00 3.06 2.92 0.00 5.84 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 96 G 7.37 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 0.00 0.00 0.00 97 R 8.00 3.75 0.00 2.05 2.11 0.00 3.14 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 98 V 7.67 4.02 2.11 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 0.52 0.00 0.00 0.15 0.00 0.00 99 K 8.17 4.22 0.00 1.72 1.76 0.00 1.88 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.51 7.81 100 A 7.41 3.99 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 0.00 101 L 7.95 4.52 0.00 1.54 1.55 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.54 4.09 1.28 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 0.00 0.00 0.00 103 E 8.47 3.80 0.00 2.16 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 2.21 2.25 0.00 104 G 8.08 3.72 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 0.00 0.00 0.00 105 A 9.05 4.41 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 0.00 106 R 7.54 4.29 0.00 1.84 2.05 0.00 3.55 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.85 0.00 107 E 8.36 3.61 0.00 2.17 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 2.22 2.28 0.00 108 G 8.58 3.77 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 0.00 0.00 0.00 *109 G 7.92 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.