NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.3258 8.1633 120.5952 55.2814 33.9567 173.9954 5 K 4.9289 7.9648 123.1676 53.8827 36.3978 173.3653 6 I 4.8864 8.1585 121.6604 59.4896 42.3551 173.8983 7 S 4.8472 8.5147 123.8492 57.7758 64.0840 175.4837 8 R 3.8912 9.1606 122.8198 59.2621 29.7341 179.2865 9 G 3.5445 7.9431 105.4873 47.5544 0.0000 175.3421 10 L 3.9123 7.6675 122.4922 57.8341 42.0661 178.9419 11 L 3.7672 7.6163 118.4622 57.6245 41.4727 179.5055 12 K 3.9175 8.2513 118.7082 59.6869 32.0061 179.4858 13 T 3.8348 7.8013 115.9364 66.6403 68.3963 176.6922 14 I 3.5775 8.0417 121.9654 64.4931 37.1675 178.5803 15 L 3.9816 8.1849 120.1363 57.6829 41.4106 179.2577 16 E 3.8335 8.3340 119.2520 59.0883 29.5480 178.7491 17 A 3.7553 7.8324 120.6971 54.7291 18.2560 179.5295 18 A 3.6880 7.3843 119.3049 55.1287 18.1684 179.9997 19 K 3.7877 7.4479 115.8146 59.7327 32.1638 179.5244 20 S 4.2393 7.8869 114.3169 61.2367 63.0276 176.0555 21 A 4.2807 8.0480 123.3483 53.3874 18.5998 177.0128 22 H 4.3949 7.7320 116.3770 56.5057 30.1997 173.0605 23 P 4.0562 0.0000 0.0000 63.3765 31.5981 176.1079 24 D 4.5642 7.8965 119.3844 54.4023 41.4198 175.2682 25 E 4.6266 8.4150 120.8141 55.0413 30.5062 176.3592 26 F 2.9818 8.7760 120.6211 56.2192 39.8191 174.4420 27 I 4.3348 7.7537 118.3684 59.9344 41.6762 173.0788 28 A 4.7167 8.5236 128.3167 51.3756 23.6459 174.5122 29 L 4.9385 8.5671 119.0719 53.1451 44.1044 176.5137 30 L 4.7189 8.7715 124.8606 54.5989 42.9819 176.3610 31 S 5.6874 9.1672 117.6283 55.2870 67.7059 172.9577 32 G 4.4511 7.8940 104.5615 46.3125 0.0000 170.8295 33 S 5.1869 7.9967 113.5653 57.4959 65.9664 174.9051 34 K 3.9395 9.2131 123.1778 58.0039 30.4007 176.0667 35 D 5.0820 9.0565 125.9944 53.6180 40.6068 175.4036 36 V 4.5070 7.6517 119.1830 62.4385 35.2499 173.8198 37 M 4.6314 8.6827 129.1435 54.5599 32.5473 176.3446 38 D 4.6932 8.5365 120.9714 53.1032 41.7632 174.5241 39 E 4.8778 8.6820 117.9362 55.2664 34.4659 174.1663 40 L 5.1501 8.3183 119.5228 53.2103 45.9949 176.7682 41 I 4.3554 8.2500 123.1726 59.2430 38.6487 174.8415 42 F 4.6183 8.7661 125.7793 57.5861 39.4726 174.8578 43 L 4.8698 8.4352 123.0189 52.0606 44.0787 176.0873 44 P 4.4004 0.0000 0.0000 62.2456 29.2482 175.6178 45 F 4.4734 7.2774 119.3030 57.1714 39.2769 175.9723 46 V 4.1336 8.2515 122.8783 61.6699 32.4306 175.9815 47 S 4.5589 8.5136 123.3293 59.6669 63.3993 174.7072 48 G 3.9078 9.2112 112.3232 45.3836 0.0000 172.0673 *60 P 4.1677 0.0000 0.0000 61.8631 32.5020 175.7732 61 I 3.9061 8.1274 122.0795 62.9024 37.2274 176.5880 62 G 3.9747 8.9113 114.7436 45.1453 0.0000 173.0596 63 M 4.3603 7.4253 119.9250 55.7608 32.8512 175.6543 64 K 4.5315 8.7918 124.3812 54.4699 36.7293 175.2892 65 V 4.2908 7.8855 121.4319 61.6176 31.6978 175.3735 66 F 4.4388 9.3103 128.6549 57.7123 39.9435 176.8859 67 G 4.7542 7.4690 106.3370 45.7739 0.0000 170.6551 68 T 5.3473 7.8794 113.4078 59.9452 73.2917 173.5534 69 V 5.6305 8.8535 120.4243 59.9222 35.0132 173.8913 70 H 4.8789 8.6414 117.9260 54.2750 32.1364 172.0125 71 S 5.4766 8.3388 113.8901 57.1508 65.4849 172.9940 72 H 5.3299 9.1730 117.9627 53.5916 31.2663 173.3728 73 P 4.7709 0.0000 0.0000 63.6638 31.9376 176.3528 74 S 4.6700 7.7093 114.1660 56.2395 64.7909 172.8738 75 P 5.1653 0.0000 0.0000 63.1086 30.9729 176.2982 76 S 4.5624 7.6084 113.5217 57.6507 62.7960 172.9327 77 C 4.9370 8.8027 123.8205 56.7860 40.4970 173.8268 78 R 4.5900 7.8684 119.4492 54.2787 30.4220 174.7828 79 P 4.5939 0.0000 0.0000 62.4821 32.4525 176.4409 80 S 4.6159 8.1392 115.5559 56.8224 66.5667 175.1529 81 E 3.8802 8.4168 120.5107 59.5532 28.9849 179.4124 82 E 3.9019 8.0151 118.0502 59.5176 29.5125 178.9290 83 D 3.9812 7.6501 118.4276 57.2292 40.7906 178.8837 84 L 3.6084 7.5242 119.5729 57.5620 41.3201 179.7398 85 S 4.1345 7.5695 113.0361 60.9251 63.2410 176.1771 86 L 4.2650 7.4659 123.8854 58.0377 41.9099 178.7038 87 F 4.0175 8.3190 118.1874 60.9783 38.7165 177.6593 88 T 3.9572 8.0339 111.1110 64.3962 67.3248 174.8045 89 R 4.1971 7.4180 118.3261 56.8303 31.4441 176.6874 90 F 4.8583 8.4262 116.8824 56.6744 39.2713 173.8578 91 G 3.9516 8.2358 106.0636 44.3013 0.0000 171.9843 92 K 4.1160 8.5045 117.5183 57.6104 34.0510 176.4865 93 Y 5.0260 8.7025 118.9675 56.4774 40.5803 174.9618 94 H 5.2320 8.8721 120.3411 54.1945 32.8335 172.4056 95 I 5.1187 8.9317 124.5274 59.6993 40.2075 174.7735 96 I 5.1138 8.9005 125.6891 59.7482 40.5858 175.0053 97 V 5.2597 8.7302 120.0695 59.8970 34.9167 172.3669 98 C 5.7712 8.9777 116.4440 52.4214 40.4321 172.6381 99 Y 3.1935 8.1568 121.0836 56.8953 39.3919 174.5804 100 P 2.9700 0.0000 0.0000 62.0405 31.6189 175.2689 101 Y 3.7366 7.5171 115.2994 59.6510 35.7340 169.9529 102 D 4.8523 7.7702 118.9480 51.9989 41.0737 176.5471 103 E 3.9839 8.7697 116.6828 58.9258 29.2010 177.4621 104 N 4.9858 9.1203 115.0057 53.2510 39.9442 175.5574 105 S 4.6056 8.3123 118.0628 56.5495 61.7128 172.5978 106 W 5.7617 7.1555 116.2113 55.7740 31.5878 175.7579 107 K 4.2410 9.1977 118.8420 55.0863 36.7381 174.6146 108 C 5.2098 8.1597 122.6269 57.9313 34.5117 172.1804 109 Y 5.4835 9.1856 122.5808 56.4072 42.5869 173.9110 110 N 5.2327 8.7360 118.1103 50.4157 40.0518 176.2105 111 R 4.2030 8.8643 117.2769 58.4956 30.0934 177.7909 112 K 4.3410 8.4458 115.5791 55.9243 32.6126 177.1993 113 G 3.9991 8.6921 108.1184 45.1960 0.0000 173.6026 114 E 4.3720 8.9159 121.0077 55.3726 30.2897 175.7635 115 E 4.4769 8.9128 124.7577 56.4633 30.4628 175.8235 116 V 4.4789 8.4423 126.3243 60.9704 34.0525 174.3532 117 E 4.3164 8.7868 128.6139 55.6346 30.1893 175.2854 118 L 4.9567 8.5139 126.1176 52.9646 45.2731 175.5038 119 E 4.4255 8.8604 121.8975 55.3357 31.1987 175.3568 120 V 4.5878 8.4272 125.0332 61.8091 32.7420 175.2268 121 V 4.3882 8.3848 121.1229 59.4973 35.4031 176.0461 122 E 4.1389 8.4691 120.9473 56.5157 29.5577 175.3374 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 4 M 8.16 4.33 0.00 1.67 1.67 0.00 0.00 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.15 0.00 5 K 7.96 4.93 0.00 1.67 1.60 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.36 7.81 6 I 8.16 4.89 1.61 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.34 0.65 0.00 0.00 7 S 8.51 4.85 0.00 3.90 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 8 R 9.16 3.89 0.00 1.84 1.91 0.00 3.10 0.00 0.00 3.06 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 9 G 7.94 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 10 L 7.67 3.91 0.00 1.71 1.68 0.88 0.56 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 11 L 7.62 3.77 0.00 1.61 1.32 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.25 3.92 0.00 1.90 1.81 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.63 7.81 13 T 7.80 3.83 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 14 I 8.04 3.58 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.92 1.07 0.00 0.00 15 L 8.18 3.98 0.00 1.63 1.75 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.33 3.83 0.00 2.10 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 2.25 2.29 0.00 17 A 7.83 3.76 0.69 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 18 A 7.38 3.69 0.81 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 0.00 0.00 19 K 7.45 3.79 0.00 1.82 1.90 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.66 1.65 7.81 20 S 7.89 4.24 0.00 3.93 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 21 A 8.05 4.28 1.24 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 0.00 0.00 0.00 22 H 7.73 4.39 0.00 3.46 3.52 0.00 5.75 0.00 0.00 0.00 0.00 6.79 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 4.06 0.00 2.11 1.94 0.00 3.84 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 1.96 1.95 0.00 24 D 7.90 4.56 0.00 2.94 2.70 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 25 E 8.41 4.63 0.00 1.83 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 2.46 2.33 0.00 26 F 8.78 2.98 0.00 2.39 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 27 I 7.75 4.33 1.68 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.24 0.98 0.00 0.00 28 A 8.52 4.72 1.17 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 29 L 8.57 4.94 0.00 1.58 1.59 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.77 4.72 0.00 1.72 1.71 1.03 0.79 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 31 S 9.17 5.69 0.00 3.95 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 32 G 7.89 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 0.00 0.00 0.00 0.00 33 S 8.00 5.19 0.00 3.91 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 0.00 34 K 9.21 3.94 0.00 1.97 1.27 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.44 7.81 35 D 9.06 5.08 0.00 2.65 2.85 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 36 V 7.65 4.51 2.04 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 0.87 0.00 0.00 0.87 0.00 0.00 37 M 8.68 4.63 0.00 1.84 1.72 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.26 0.00 38 D 8.54 4.69 0.00 2.56 2.61 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 39 E 8.68 4.88 0.00 2.02 1.82 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 2.23 2.44 0.00 40 L 8.32 5.15 0.00 1.06 0.95 0.63 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.25 4.36 1.86 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 0.75 0.94 0.00 0.00 42 F 8.77 4.62 0.00 3.03 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 43 L 8.44 4.87 0.00 1.73 1.62 0.81 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.40 0.00 2.13 2.05 0.00 3.80 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 2.00 1.95 0.00 45 F 7.28 4.47 0.00 3.19 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 46 V 8.25 4.13 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 0.86 0.00 0.00 0.96 0.00 0.00 47 S 8.51 4.56 0.00 3.94 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 48 G 9.21 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 *60 P 0.00 4.17 0.00 2.22 2.03 0.00 3.61 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 2.02 2.12 0.00 61 I 8.13 3.91 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 1.35 0.47 0.91 0.00 0.00 62 G 8.91 3.97 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 0.00 0.00 0.00 63 M 7.43 4.36 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 64 K 8.79 4.53 0.00 1.02 1.24 0.00 1.57 0.00 0.00 1.44 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.21 1.46 7.81 65 V 7.89 4.29 2.04 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 0.89 0.00 0.00 0.92 0.00 0.00 66 F 9.31 4.44 0.00 3.15 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 67 G 7.47 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 68 T 7.88 5.35 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 1.15 0.00 0.00 69 V 8.85 5.63 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 1.05 0.00 0.00 70 H 8.64 4.88 0.00 3.11 3.19 0.00 5.42 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.34 5.48 0.00 4.16 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 72 H 9.17 5.33 0.00 3.23 3.26 0.00 5.63 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 73 P 0.00 4.77 0.00 2.13 2.38 0.00 3.43 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.92 0.00 74 S 7.71 4.67 0.00 4.03 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 75 P 0.00 5.17 0.00 2.11 2.18 0.00 3.75 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 76 S 7.61 4.56 0.00 3.91 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 77 C 8.80 4.94 0.00 3.07 3.21 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 78 R 7.87 4.59 0.00 1.79 1.86 0.00 3.15 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 79 P 0.00 4.59 0.00 1.88 1.74 0.00 3.48 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.13 0.00 80 S 8.14 4.62 0.00 3.98 3.98 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 81 E 8.42 3.88 0.00 1.94 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 0.00 2.35 2.31 0.00 82 E 8.02 3.90 0.00 1.92 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 2.35 2.35 0.00 83 D 7.65 3.98 0.00 2.59 1.82 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 84 L 7.52 3.61 0.00 1.71 1.63 0.91 0.53 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 85 S 7.57 4.13 0.00 4.03 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 86 L 7.47 4.26 0.00 1.75 1.83 0.89 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 87 F 8.32 4.02 0.00 3.09 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 88 T 8.03 3.96 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 1.30 0.00 0.00 89 R 7.42 4.20 0.00 2.11 1.36 0.00 3.15 0.00 0.00 3.03 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 90 F 8.43 4.86 0.00 3.19 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 91 G 8.24 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 92 K 8.50 4.12 0.00 1.60 1.24 0.00 1.46 0.00 0.00 1.24 0.00 0.00 2.70 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.46 1.14 7.81 93 Y 8.70 5.03 0.00 2.92 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 94 H 8.87 5.23 0.00 1.84 2.19 0.00 5.58 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.93 5.12 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.02 1.11 0.00 0.00 96 I 8.90 5.11 2.26 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.23 0.74 0.00 0.00 97 V 8.73 5.26 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 0.93 0.00 0.00 1.24 0.00 0.00 98 C 8.98 5.77 0.00 3.22 3.35 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 99 Y 8.16 3.19 0.00 2.84 2.74 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 0.00 100 P 0.00 2.97 0.00 1.70 1.16 0.00 3.76 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 101 Y 7.52 3.74 0.00 3.17 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 0.00 102 D 7.77 4.85 0.00 2.90 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.77 3.98 0.00 2.16 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 2.31 2.41 0.00 104 N 9.12 4.99 0.00 2.79 2.84 0.00 0.00 7.02 7.99 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 0.00 105 S 8.31 4.61 0.00 4.13 4.05 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 0.00 106 W 7.16 5.76 0.00 3.42 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 0.00 107 K 9.20 4.24 0.00 1.62 0.92 0.00 1.32 0.00 0.00 1.16 0.00 0.00 2.63 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.55 7.81 108 C 8.16 5.21 0.00 3.18 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 0.00 109 Y 9.19 5.48 0.00 2.80 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 0.00 110 N 8.74 5.23 0.00 2.91 3.02 0.00 0.00 6.91 7.60 0.00 0.00 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 R 8.86 4.20 0.00 1.90 2.14 0.00 3.25 0.00 0.00 3.45 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.76 0.00 112 K 8.45 4.34 0.00 1.95 1.88 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.46 7.81 113 G 8.69 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 0.00 0.00 0.00 114 E 8.92 4.37 0.00 2.25 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 0.00 2.38 2.31 0.00 115 E 8.91 4.48 0.00 2.01 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 2.07 1.94 0.00 116 V 8.44 4.48 2.16 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 0.92 0.00 0.00 1.08 0.00 0.00 117 E 8.79 4.32 0.00 1.99 1.82 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 2.25 2.30 0.00 118 L 8.51 4.96 0.00 1.67 1.49 0.93 0.67 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 0.00 119 E 8.86 4.43 0.00 1.85 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 2.26 2.22 0.00 120 V 8.43 4.59 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 0.77 0.00 0.00 1.07 0.00 0.00 121 V 8.38 4.39 2.04 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 0.58 0.00 0.00 0.91 0.00 0.00 122 E 8.47 4.14 0.00 1.87 1.79 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 2.20 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.