NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 A 4.5030 8.1227 122.4826 51.4656 21.5143 176.1908 9 F 5.0516 8.1788 116.0541 55.8599 43.6665 171.8976 10 L 5.1463 8.0847 125.0605 54.0927 46.5134 172.9306 11 N 5.1291 9.3809 125.8670 52.3559 40.6436 173.6662 12 S 4.6743 8.9308 123.4395 56.7298 62.3929 172.9892 13 L 4.7763 7.9162 129.1710 54.3001 44.8815 175.0187 14 F 6.2009 8.5401 121.7360 55.1236 43.6659 172.6001 *16 D 4.8781 8.5246 117.7573 55.2752 42.1311 175.6388 17 F 5.2797 9.2225 122.8709 56.3225 40.7531 176.3131 18 T 4.3370 8.8229 110.0723 63.4016 69.5616 175.4006 19 S 4.4744 7.6037 116.1312 56.0977 66.9344 174.5653 20 E 3.9052 8.3977 123.1641 59.3930 29.4374 178.7626 21 N 4.3418 8.0778 116.2403 56.1764 38.6482 176.9991 22 E 4.1035 8.1376 119.8083 59.3134 29.5499 179.0174 23 L 2.5575 7.3838 119.8702 57.8792 42.0259 178.9223 24 E 3.9127 8.3489 118.7269 59.2286 29.1685 179.0400 25 L 4.0046 7.8901 119.3046 58.0988 42.4180 178.4008 26 F 3.8613 8.3468 120.4568 61.3579 38.8547 177.0424 27 L 4.0182 8.2386 118.7436 57.7004 41.2549 179.0161 28 K 4.4134 8.2695 115.5645 57.2763 32.3917 177.5781 29 S 4.7328 7.7366 115.2907 58.0059 64.0000 175.7968 30 L 3.8851 7.6644 122.8817 57.9508 40.7706 179.1006 31 D 4.7580 8.1663 117.9960 55.9726 39.0111 177.8133 32 E 4.2128 7.9729 119.0678 57.8352 29.7965 178.0222 33 V 4.0670 7.5141 116.7602 63.5043 33.6297 176.4129 34 W 4.4115 8.2647 119.3836 55.0361 28.2243 176.0563 35 S 4.8892 7.6991 121.7236 57.4776 65.4156 175.6978 36 E 4.2401 8.7219 121.0787 61.2219 29.4531 178.2740 37 D 4.5237 8.0941 118.3363 57.2057 41.3116 177.9373 38 L 3.8638 7.5809 120.4323 58.5499 42.0195 178.6351 39 Y 4.4092 8.2134 119.0496 61.6708 37.8507 179.3552 40 S 4.2496 8.4919 119.9698 63.4307 62.2889 179.8929 41 R 4.1716 8.0148 121.9645 59.1156 29.7720 179.2701 42 L 4.1018 8.3302 119.0931 57.5821 41.6462 179.2920 43 S 4.3209 8.6489 113.3833 61.6799 62.2070 176.3146 44 A 4.1077 7.8908 121.1190 54.3529 18.3333 178.3700 45 A 4.4483 8.3638 118.1199 52.0241 19.3546 177.0722 46 G 3.5509 7.7415 108.1109 44.8395 0.0000 173.6141 47 L 4.3733 8.1358 124.7804 55.6782 41.9634 176.4548 48 I 4.2306 8.9727 128.0654 63.4224 38.0385 176.3385 49 R 4.7092 7.5627 118.5801 55.1324 35.0225 173.7496 50 H 4.8648 8.3902 120.5712 55.0846 32.5765 172.5319 51 V 4.2397 7.9969 125.8879 60.9181 33.8956 174.6026 52 I 4.7051 8.0766 127.6229 59.4678 39.7665 174.8729 53 S 4.7248 9.0635 120.6589 56.4807 66.8242 173.7449 54 K 4.6000 8.5934 120.1522 56.3200 33.2081 176.5966 55 V 4.4067 8.0068 123.7694 61.2935 33.7274 176.1217 *56 W 4.1266 8.7992 129.3605 56.5030 29.1307 171.5715 57 N 4.3206 8.2707 123.2452 53.5786 41.8886 173.6310 *59 E 4.4041 9.0240 110.6656 56.1271 31.9679 172.6189 60 Q 4.2547 7.8023 117.4445 55.8240 29.8987 176.5988 61 H 4.8663 8.4246 120.4276 54.2774 27.4634 172.8957 62 R 5.0123 7.9222 120.7722 54.3362 33.5810 174.2408 63 I 4.7517 8.4699 125.7081 59.8335 40.4057 175.1999 64 S 5.2326 8.8322 121.9030 55.9210 65.7474 172.2566 *66 V 4.2370 8.0162 119.0558 62.8764 32.6635 174.0707 67 F 5.2447 9.3314 126.9517 55.7376 41.9503 174.5333 68 E 5.0841 8.6094 121.6956 54.7584 32.5622 174.5448 69 Y 5.4245 8.8212 121.6377 56.1656 41.1465 176.3912 70 D 4.7647 8.9100 121.2435 55.2482 40.4049 175.6587 71 S 4.6059 7.6961 112.8759 56.5008 65.6149 176.0642 72 K 3.7021 8.6329 123.0295 60.1448 31.7713 178.9666 73 E 4.0363 8.2204 118.3081 60.8533 29.5423 181.1326 74 G 3.7999 7.7920 105.9627 47.7390 0.0000 174.8869 75 Y 2.6907 7.8343 122.9715 59.9728 38.5975 178.5249 76 Q 3.2515 8.2902 121.2279 59.1839 28.6618 179.4761 77 K 3.8464 7.9351 124.8318 60.0895 31.7043 180.7316 78 C 4.3277 7.9851 118.2199 62.4488 27.7717 175.9238 79 Q 3.7844 7.9295 124.0477 59.6188 28.4824 178.8037 80 E 4.1421 7.8805 119.1612 61.1608 29.6802 180.7980 81 I 3.7732 7.2633 121.1704 64.2862 37.2002 178.5861 82 I 3.3541 8.1345 120.5108 64.4620 36.9666 178.0378 83 D 4.3905 8.9600 120.6543 57.5447 40.5713 179.1120 84 K 3.9090 8.1377 119.9352 59.0517 32.1839 178.4021 85 E 3.5466 7.9335 119.8173 59.0599 29.1963 178.4332 86 F 4.8956 7.3915 115.3364 59.1328 39.9631 177.7654 87 G 3.7972 8.1285 106.7899 47.7468 0.0000 173.3575 88 I 4.3723 7.5175 117.5197 63.2917 39.5728 177.5566 89 T 3.8623 8.1619 115.9273 66.7802 68.4408 176.0961 90 L 4.5250 8.4925 119.4017 54.4222 41.9269 178.2638 91 K 3.9850 7.5928 120.6599 60.3061 31.8487 178.1245 92 E 4.1285 8.0832 117.7256 58.9337 29.7526 178.4530 93 K 4.2333 7.9372 117.7341 58.9704 32.6511 178.3292 94 L 4.7834 8.5309 117.9662 55.8974 41.6916 178.7952 95 K 4.2177 7.6805 117.6118 58.4344 32.0517 178.1433 96 K 4.0370 8.1378 117.4095 58.3074 32.8451 176.6982 97 F 5.2440 8.1015 118.7092 55.6438 41.0912 174.6685 98 V 4.4329 9.0145 125.5608 61.1686 32.6299 174.6722 99 F 4.9371 7.7469 121.3512 55.5943 40.8106 173.0956 100 K 4.5717 8.6560 120.9436 54.6931 34.3809 175.0670 101 I 4.6879 8.3942 127.4555 60.0908 39.2032 174.6469 102 H 4.8784 9.4386 124.4516 54.2654 30.8817 173.2563 103 N 5.0426 8.8391 120.8421 52.9090 40.3928 175.8682 104 N 4.9344 9.4042 118.6348 52.4143 41.4539 172.0887 105 R 4.5879 8.2667 121.1781 54.7549 31.6990 175.7171 106 G 3.9748 7.5453 109.7754 44.8268 0.0000 172.1318 107 V 4.4256 7.8986 120.7489 60.3843 32.8305 176.0388 108 V 3.5880 8.4456 125.5835 63.4520 31.1367 176.1407 109 V 3.9917 8.5651 122.0352 63.5209 32.2542 176.5016 110 S 4.6957 7.4734 110.6605 57.2174 65.3723 173.1104 111 E 4.6747 8.4908 121.5895 54.5483 32.5298 174.0483 112 F 4.9205 8.7740 127.1176 56.3449 41.6530 174.6627 113 I 3.9045 7.0681 127.0246 58.9303 39.7238 175.0369 114 R 3.7874 7.8384 125.5322 56.3486 30.4316 176.3342 115 S 4.2630 8.5555 117.6334 59.0088 62.7664 174.3301 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 8 A 8.12 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.18 5.05 0.00 3.17 3.01 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 10 L 8.08 5.15 0.00 1.73 1.32 0.90 0.36 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 11 N 9.38 5.13 0.00 3.11 2.97 0.00 0.00 6.45 7.54 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 12 S 8.93 4.67 0.00 3.75 3.81 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 13 L 7.92 4.78 0.00 1.99 1.62 1.15 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.54 6.20 0.00 3.04 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 *16 D 8.52 4.88 0.00 2.67 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 17 F 9.22 5.28 0.00 2.97 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 18 T 8.82 4.34 4.32 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 1.28 0.00 0.00 19 S 7.60 4.47 0.00 4.00 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 20 E 8.40 3.91 0.00 2.04 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 2.40 2.46 0.00 21 N 8.08 4.34 0.00 2.78 2.86 0.00 0.00 7.16 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 22 E 8.14 4.10 0.00 2.38 2.28 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 2.52 2.45 0.00 23 L 7.38 2.56 0.00 1.42 1.69 1.00 0.83 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 24 E 8.35 3.91 0.00 1.98 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 2.45 2.45 0.00 25 L 7.89 4.00 0.00 1.81 2.13 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.35 3.86 0.00 2.47 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 27 L 8.24 4.02 0.00 1.86 1.71 0.92 1.18 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 28 K 8.27 4.41 0.00 1.72 1.86 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.62 7.81 29 S 7.74 4.73 0.00 3.88 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 30 L 7.66 3.89 0.00 1.73 1.79 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.17 4.76 0.00 3.05 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 32 E 7.97 4.21 0.00 2.12 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 0.00 2.33 2.31 0.00 33 V 7.51 4.07 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 0.66 0.00 0.00 0.77 0.00 0.00 34 W 8.26 4.41 0.00 3.39 3.15 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 35 S 7.70 4.89 0.00 4.09 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 36 E 8.72 4.24 0.00 2.00 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 2.31 1.94 0.00 37 D 8.09 4.52 0.00 2.72 2.68 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 0.00 0.00 0.00 0.00 38 L 7.58 3.86 0.00 1.62 1.64 0.72 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 8.21 4.41 0.00 3.31 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 40 S 8.49 4.25 0.00 3.73 3.87 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 41 R 8.01 4.17 0.00 2.03 2.00 0.00 3.06 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 42 L 8.33 4.10 0.00 1.89 1.93 1.14 1.10 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 43 S 8.65 4.32 0.00 4.08 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 44 A 7.89 4.11 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 45 A 8.36 4.45 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 46 G 7.74 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 4.37 0.00 1.93 1.81 1.05 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.97 4.23 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.00 0.90 0.00 0.00 49 R 7.56 4.71 0.00 1.61 1.65 0.00 3.06 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 50 H 8.39 4.86 0.00 2.96 3.03 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.00 4.24 1.90 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 0.72 0.00 0.00 0.78 0.00 0.00 52 I 8.08 4.71 1.69 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 0.93 0.19 0.86 0.00 0.00 53 S 9.06 4.72 0.00 3.79 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 54 K 8.59 4.60 0.00 1.67 1.80 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.44 7.81 55 V 8.01 4.41 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 0.71 0.00 0.00 1.04 0.00 0.00 *56 W 8.80 4.13 0.00 2.56 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 0.00 0.00 0.00 57 N 8.27 4.32 0.00 2.58 2.86 0.00 0.00 7.01 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 *59 E 9.02 4.40 0.00 2.05 1.89 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 2.13 1.91 0.00 60 Q 7.80 4.25 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 7.29 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 61 H 8.42 4.87 0.00 3.41 3.35 0.00 5.57 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.92 5.01 0.00 1.97 1.76 0.00 2.97 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 63 I 8.47 4.75 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.83 0.94 0.00 0.00 64 S 8.83 5.23 0.00 4.13 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 *66 V 8.02 4.24 1.94 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 0.87 0.00 0.00 0.82 0.00 0.00 67 F 9.33 5.24 0.00 3.08 2.60 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 0.00 0.00 0.00 0.00 68 E 8.61 5.08 0.00 1.81 1.77 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 2.19 2.19 0.00 69 Y 8.82 5.42 0.00 3.13 3.01 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 70 D 8.91 4.76 0.00 2.75 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 71 S 7.70 4.61 0.00 4.00 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 72 K 8.63 3.70 0.00 1.84 1.79 0.00 1.76 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.13 7.81 73 E 8.22 4.04 0.00 2.01 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 2.32 1.95 0.00 74 G 7.79 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 75 Y 7.83 2.69 0.00 2.23 2.33 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 76 Q 8.29 3.25 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.56 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 77 K 7.94 3.85 0.00 1.75 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.36 7.81 78 C 7.99 4.33 0.00 2.99 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 79 Q 7.93 3.78 0.00 1.31 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.79 0.00 0.00 0.00 0.00 0.00 2.13 2.40 0.00 80 E 7.88 4.14 0.00 2.03 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 2.25 2.23 0.00 81 I 7.26 3.77 1.96 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 1.45 0.44 0.81 0.00 0.00 82 I 8.13 3.35 2.00 0.00 0.00 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 1.57 0.68 1.13 0.00 0.00 83 D 8.96 4.39 0.00 2.66 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 84 K 8.14 3.91 0.00 1.74 1.81 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.37 7.81 85 E 7.93 3.55 0.00 1.74 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 1.47 1.47 0.00 86 F 7.39 4.90 0.00 3.13 3.04 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 87 G 8.13 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 88 I 7.52 4.37 1.96 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 1.40 0.95 0.89 0.00 0.00 89 T 8.16 3.86 4.34 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 1.14 0.00 0.00 90 L 8.49 4.52 0.00 1.90 1.83 1.01 0.84 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 91 K 7.59 3.99 0.00 2.15 2.06 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.57 7.81 92 E 8.08 4.13 0.00 2.01 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 2.48 0.00 93 K 7.94 4.23 0.00 2.02 1.95 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.52 7.81 94 L 8.53 4.78 0.00 1.91 2.12 1.18 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.68 4.22 0.00 1.85 1.89 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.61 7.81 96 K 8.14 4.04 0.00 1.57 1.81 0.00 1.29 0.00 0.00 1.29 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 0.21 7.81 97 F 8.10 5.24 0.00 3.78 3.65 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 0.00 0.00 0.00 0.00 98 V 9.01 4.43 2.17 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 0.76 0.00 0.00 0.95 0.00 0.00 99 F 7.75 4.94 0.00 2.32 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 0.00 0.00 0.00 100 K 8.66 4.57 0.00 1.72 1.69 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.69 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.18 1.29 7.81 101 I 8.39 4.69 1.93 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 1.56 1.16 0.99 0.00 0.00 102 H 9.44 4.88 0.00 3.28 3.38 0.00 5.60 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.84 5.04 0.00 2.67 2.81 0.00 0.00 6.95 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 9.40 4.93 0.00 2.72 2.70 0.00 0.00 7.22 7.79 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 0.00 105 R 8.27 4.59 0.00 1.68 1.84 0.00 3.35 0.00 0.00 3.44 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 106 G 7.55 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 0.00 107 V 7.90 4.43 2.13 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 0.69 0.00 0.00 0.97 0.00 0.00 108 V 8.45 3.59 2.19 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 0.77 0.00 0.00 0.97 0.00 0.00 109 V 8.57 3.99 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 0.78 0.00 0.00 0.93 0.00 0.00 110 S 7.47 4.70 0.00 3.95 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 0.00 111 E 8.49 4.67 0.00 1.90 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 2.16 2.28 0.00 112 F 8.77 4.92 0.00 2.96 2.93 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 0.00 0.00 0.00 113 I 7.07 3.90 1.64 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 1.15 0.62 0.73 0.00 0.00 114 R 7.84 3.79 0.00 1.69 1.75 0.00 3.25 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 115 S 8.56 4.26 0.00 3.90 3.76 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 * Residues marked with a * may have inaccurate shift predictions.