NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2969 8.3449 119.6864 55.6535 29.7423 174.7215 3 T 4.0413 8.4084 121.0914 61.6886 69.1651 173.8470 4 T 4.2915 9.4364 118.1209 61.0467 71.9744 175.2125 5 F 4.2690 8.8272 123.5533 61.9619 39.3435 177.4546 6 T 3.8011 8.0377 114.7324 66.6280 68.2989 176.2810 7 E 3.9203 8.0967 120.3379 59.2185 29.4293 179.0481 8 L 3.8501 7.8064 120.2046 58.6187 42.0729 179.0830 9 M 3.6436 7.7436 118.6423 58.0714 31.6814 178.7265 10 Q 4.0550 8.1644 118.5749 59.0804 28.9461 178.7067 11 Q 3.9244 8.1367 120.5042 59.0199 29.0744 178.1274 12 L 3.7415 7.9225 121.3964 58.2858 42.0586 179.0861 13 F 3.9368 8.2374 117.9082 60.1616 38.5271 177.5803 14 L 3.9951 7.8957 118.1861 57.8081 41.4862 179.2261 15 K 4.0551 7.7059 118.4212 59.4706 32.2400 178.5737 16 L 4.1534 7.8870 118.2156 54.9891 41.6928 177.4386 17 G 3.9485 8.1162 105.9121 46.4700 0.0000 173.1150 18 L 4.6713 7.8280 118.2092 52.3752 43.4089 176.5506 19 N 4.5121 8.6610 120.5166 53.8720 38.9421 173.9175 20 H 5.0901 8.2255 116.9684 54.9217 31.8386 172.1580 21 Q 4.6269 9.4820 117.1360 53.9587 32.9142 175.1715 22 V 4.3803 7.9358 120.2583 60.8862 34.0366 175.1722 23 N 4.6184 8.9425 126.7593 52.3878 38.2396 175.2430 24 E 4.2245 8.5132 115.7036 57.2735 28.3839 176.8427 25 N 4.7035 8.6979 117.7701 52.5529 39.0450 174.3185 26 D 4.4308 7.7190 114.6780 55.5123 39.2147 173.4842 27 V 4.5389 7.3491 117.9657 62.1024 33.5455 174.0794 28 Y 4.9790 9.2752 125.5589 57.2105 40.0465 174.8361 29 T 5.4596 9.0374 119.5542 62.1441 73.2574 172.9114 30 F 5.3157 8.7241 118.9183 55.7358 41.5281 172.8280 31 E 4.9961 9.0245 119.6093 54.5041 32.5491 175.0279 32 V 4.5537 8.3697 117.1313 58.9170 35.5720 174.8057 33 D 4.4706 8.4645 120.3815 56.3201 40.9124 177.4065 34 G 3.7977 8.5127 109.8108 44.8820 0.0000 173.1712 35 H 4.1726 7.5435 113.4665 55.8958 26.0451 175.7702 36 I 4.2176 7.6435 119.5118 59.6301 38.5662 175.2369 37 Q 4.7087 8.4714 126.9173 54.0309 30.6619 174.4215 38 V 4.5813 7.9627 125.5007 61.0505 34.1941 174.0771 39 L 5.3917 9.0371 127.3216 53.0825 44.9094 175.3734 40 I 5.2292 9.3728 123.4308 59.6656 40.3583 174.5196 41 A 5.1216 9.2341 127.8342 50.3028 23.0788 173.9285 42 C 4.9602 8.1863 119.3199 57.5258 34.2369 172.3287 43 Y 4.5168 9.1347 127.7657 56.6819 40.3123 175.2335 44 H 3.9551 8.9989 122.8566 56.8279 26.3239 174.4093 45 Q 3.5451 8.3282 113.9031 56.9782 26.5695 174.3718 46 Q 4.2168 8.5567 117.9811 56.5875 32.7415 174.6576 47 W 5.0843 8.2414 118.6905 54.8087 32.1658 174.8716 48 V 4.7329 9.1783 125.6706 61.6114 33.0473 174.4543 49 Q 5.4563 9.5445 126.7338 54.2293 32.1453 174.4451 50 L 5.0537 8.6970 123.0037 53.2023 44.3712 175.3221 51 F 5.5785 8.8725 123.3780 57.3786 43.6187 173.1341 52 S 4.5562 8.1970 118.6125 57.0229 66.2164 172.9236 53 E 4.1965 8.3940 127.3673 56.2507 29.7014 176.7917 54 L 4.0486 8.9921 124.8251 55.1218 42.5610 178.9604 55 G 3.8618 9.7193 106.9166 45.2493 0.0000 172.6191 56 A 4.4830 7.3392 120.5489 50.8421 22.4115 175.2124 57 D 4.8765 8.3383 119.5051 53.0671 40.1012 176.0870 58 L 4.4228 8.3733 126.7358 52.4252 42.9465 175.4378 59 P 4.2252 0.0000 0.0000 62.9989 31.6131 176.7939 60 T 3.8070 8.4969 119.1308 64.0840 68.6919 173.2346 61 N 4.6397 8.5208 125.2654 52.5702 39.8448 174.8401 62 D 4.3447 8.7100 124.6258 55.6269 41.4573 175.9416 63 N 4.0599 8.5694 116.0147 54.0880 36.4522 173.9728 64 L 4.2870 7.4520 116.1756 53.8471 43.2560 177.0825 65 F 4.4169 7.7334 115.3953 56.3351 39.2683 175.0812 66 G 4.0537 7.8970 109.9259 46.2904 0.0000 175.3937 67 E 4.0993 7.8494 118.4770 58.5414 29.9619 176.5691 68 H 4.8309 7.3782 113.8516 53.6118 32.7134 172.3930 69 W 4.9148 8.6031 121.8181 54.0461 30.8707 173.7925 70 P 4.5372 0.0000 0.0000 61.7865 31.6494 176.1692 71 A 4.1095 8.0777 121.1600 52.1964 18.7999 176.6091 72 H 5.0719 8.4421 117.2297 54.2816 30.4308 174.3595 73 V 3.9734 8.2940 124.3288 60.8568 33.6650 174.1702 74 Q 4.6598 9.0018 129.7988 55.0529 29.9531 174.3341 75 G 4.5875 9.1142 117.5997 44.6632 0.0000 170.7593 76 R 5.2231 8.5019 118.7841 54.4704 33.2300 175.0334 77 L 4.5866 8.9884 126.4166 54.9747 45.2437 175.2911 78 D 4.4699 9.8398 125.2098 55.5557 38.3983 174.6436 79 G 3.9645 8.6038 103.9922 45.6707 0.0000 173.9755 80 K 4.7212 7.7997 118.1230 54.0009 36.1056 175.6761 81 S 4.9827 8.8461 117.7278 58.6211 64.1893 173.5477 82 I 4.8098 8.7018 116.5066 58.9955 40.9161 173.7535 83 L 5.2609 8.6089 127.2293 53.2705 44.5386 175.0066 84 W 6.0770 8.9462 121.6006 55.7643 32.2468 173.3889 85 S 5.3366 9.2162 114.4822 57.4149 65.6759 172.8014 86 Q 5.7891 9.0591 122.7715 55.3887 32.0226 173.3277 87 Q 4.9826 9.1954 117.4668 55.3356 32.4863 173.6293 88 S 4.0593 8.4199 114.5332 57.5732 63.9457 174.3277 89 L 4.0468 8.5800 125.4473 57.8973 42.1473 177.6867 90 V 3.7649 7.3835 118.3177 63.7569 31.8045 176.3737 91 G 3.9473 8.8433 114.6057 45.6135 0.0000 173.4078 92 L 4.2475 7.9706 122.1566 54.4287 42.5654 176.0237 93 D 5.0862 8.5287 124.9949 51.1011 43.7347 176.7590 94 I 3.7046 8.0530 118.8946 64.7104 37.0585 178.3682 95 D 4.3760 8.0776 119.2957 57.2628 40.5638 178.4585 96 E 4.0316 8.8582 119.4719 59.6751 29.3941 179.3039 97 M 4.4046 8.2151 118.6339 58.5299 32.0690 178.6676 98 Q 3.8757 8.2709 119.3801 59.2088 29.2720 178.0630 99 A 4.0924 8.1986 121.8420 54.7667 18.2995 179.4252 100 W 4.4192 8.6867 127.1189 60.7577 30.8133 177.9159 101 L 3.9587 8.2721 119.2372 58.1103 41.1511 179.4737 102 E 4.0560 8.4112 118.3593 59.5539 29.4970 179.6837 103 R 4.1785 8.4510 115.8995 58.7160 29.6066 178.6630 104 F 4.0240 8.6160 121.9828 61.2829 39.3249 177.0375 105 I 3.5841 8.1724 119.7370 64.5963 36.9941 178.1212 106 D 4.3414 8.2074 119.6037 57.2678 40.5640 178.4677 107 D 4.2238 8.1724 118.4128 57.3704 41.2794 177.9710 108 I 3.4437 7.5354 120.6228 64.7133 37.1352 178.1026 109 E 3.9042 8.2998 119.1992 59.4845 29.3633 179.3533 110 Q 3.9477 7.9784 119.4108 59.2478 28.9116 178.4626 111 R 4.0380 7.9013 118.2653 59.0032 30.1816 178.7957 112 K 4.3221 8.0470 117.6319 57.6194 33.1123 177.0408 113 E 4.7834 7.7372 117.2709 52.5023 30.0095 173.4104 114 P 4.5243 0.0000 0.0000 64.4509 32.1844 177.6531 115 Q 4.2630 7.8439 117.7296 55.5049 27.5893 174.2772 116 N 4.6709 7.5521 115.3669 53.4311 41.4731 176.4003 117 T 4.3674 7.8889 114.5550 62.2053 67.7935 174.2165 *125 S 4.2379 7.6117 115.1462 57.2387 63.7532 171.9072 126 P 4.4200 0.0000 0.0000 64.3788 31.5074 176.1841 127 I 4.4377 7.4216 119.6999 59.2633 39.8482 174.6367 128 L 4.8824 8.1224 124.0058 52.8771 44.0450 175.8676 129 F 4.9308 8.6982 119.7732 55.8549 42.5340 175.2355 130 I 4.2285 8.5739 123.3691 61.6075 37.2067 175.6781 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 Q 8.34 4.30 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 3 T 8.41 4.04 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 1.27 0.00 0.00 4 T 9.44 4.29 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 1.24 0.00 0.00 5 F 8.83 4.27 0.00 3.18 3.22 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 0.00 6 T 8.04 3.80 4.31 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 1.31 0.00 0.00 7 E 8.10 3.92 0.00 2.22 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 2.33 2.33 0.00 8 L 7.81 3.85 0.00 1.85 1.70 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 9 M 7.74 3.64 0.00 0.51 1.03 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.13 0.00 10 Q 8.16 4.06 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 11 Q 8.14 3.92 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 12 L 7.92 3.74 0.00 1.62 1.41 0.71 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.24 3.94 0.00 2.99 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 14 L 7.90 4.00 0.00 1.79 1.75 0.93 0.80 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 15 K 7.71 4.06 0.00 1.81 1.90 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 16 L 7.89 4.15 0.00 1.48 1.54 0.36 0.60 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 17 G 8.12 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 18 L 7.83 4.67 0.00 1.71 1.66 0.57 1.11 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 19 N 8.66 4.51 0.00 2.78 2.80 0.00 0.00 6.78 8.16 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 20 H 8.23 5.09 0.00 3.05 3.11 0.00 5.47 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 21 Q 9.48 4.63 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 22 V 7.94 4.38 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 0.10 0.00 0.00 0.61 0.00 0.00 23 N 8.94 4.62 0.00 2.92 2.93 0.00 0.00 6.59 7.20 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 24 E 8.51 4.22 0.00 1.96 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 2.28 2.26 0.00 25 N 8.70 4.70 0.00 2.73 2.91 0.00 0.00 7.19 8.29 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 26 D 7.72 4.43 0.00 2.96 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 27 V 7.35 4.54 2.23 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 1.17 0.00 0.00 1.03 0.00 0.00 28 Y 9.28 4.98 0.00 3.30 3.03 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 29 T 9.04 5.46 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 1.29 0.00 0.00 30 F 8.72 5.32 0.00 3.39 3.26 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 0.00 31 E 9.02 5.00 0.00 1.98 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 2.28 2.46 0.00 32 V 8.37 4.55 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 1.15 0.00 0.00 1.03 0.00 0.00 33 D 8.46 4.47 0.00 2.67 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 34 G 8.51 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 35 H 7.54 4.17 0.00 3.28 3.30 0.00 5.71 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 36 I 7.64 4.22 1.83 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 1.10 0.81 0.79 0.00 0.00 37 Q 8.47 4.71 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 38 V 7.96 4.58 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 0.99 0.00 0.00 0.86 0.00 0.00 39 L 9.04 5.39 0.00 1.94 1.67 1.20 1.06 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 40 I 9.37 5.23 2.27 0.00 0.00 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 1.27 1.04 1.26 0.00 0.00 41 A 9.23 5.12 1.22 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 0.00 0.00 0.00 42 C 8.19 4.96 0.00 1.23 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 0.00 0.00 0.00 43 Y 9.13 4.52 0.00 3.05 2.94 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 44 H 9.00 3.96 0.00 2.94 3.19 0.00 5.92 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.33 3.55 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 46 Q 8.56 4.22 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.82 6.76 0.00 0.00 0.00 0.00 0.00 1.16 1.85 0.00 47 W 8.24 5.08 0.00 3.50 3.19 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 48 V 9.18 4.73 2.43 0.00 0.00 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 0.00 0.00 1.13 0.00 0.00 49 Q 9.54 5.46 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.54 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 50 L 8.70 5.05 0.00 0.41 0.30 -0.91 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.87 5.58 0.00 3.20 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 52 S 8.20 4.56 0.00 3.86 3.38 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 0.00 53 E 8.39 4.20 0.00 1.84 1.85 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 2.36 2.27 0.00 54 L 8.99 4.05 0.00 1.60 1.60 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 55 G 9.72 3.86 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 0.00 0.00 0.00 56 A 7.34 4.48 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 57 D 8.34 4.88 0.00 2.71 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 58 L 8.37 4.42 0.00 1.63 1.56 0.91 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.23 0.00 2.01 1.99 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 60 T 8.50 3.81 4.23 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 1.21 0.00 0.00 61 N 8.52 4.64 0.00 2.78 2.66 0.00 0.00 7.25 8.47 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 62 D 8.71 4.34 0.00 2.65 2.67 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 63 N 8.57 4.06 0.00 2.76 2.82 0.00 0.00 7.00 7.87 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 64 L 7.45 4.29 0.00 1.43 1.25 0.77 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 65 F 7.73 4.42 0.00 2.76 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 66 G 7.90 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 0.00 0.00 0.00 67 E 7.85 4.10 0.00 1.83 1.80 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 2.22 2.21 0.00 68 H 7.38 4.83 0.00 2.92 3.02 0.00 5.75 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 W 8.60 4.91 0.00 3.25 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 70 P 0.00 4.54 0.00 2.32 2.07 0.00 3.37 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.32 0.00 71 A 8.08 4.11 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 72 H 8.44 5.07 0.00 2.94 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.29 3.97 0.67 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 0.86 0.00 0.00 0.27 0.00 0.00 74 Q 9.00 4.66 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.40 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 75 G 9.11 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.50 5.22 0.00 1.75 1.79 0.00 3.24 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 77 L 8.99 4.59 0.00 1.81 1.56 0.94 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 78 D 9.84 4.47 0.00 2.87 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 79 G 8.60 3.96 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 0.00 0.00 0.00 80 K 7.80 4.72 0.00 1.76 1.65 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.52 7.81 81 S 8.85 4.98 0.00 3.79 3.74 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 82 I 8.70 4.81 1.75 0.00 0.00 1.36 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 1.21 1.02 0.00 0.00 83 L 8.61 5.26 0.00 1.55 1.25 0.84 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 84 W 8.95 6.08 0.00 3.68 3.38 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 0.00 85 S 9.22 5.34 0.00 4.12 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 86 Q 9.06 5.79 0.00 2.46 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.50 0.00 0.00 0.00 0.00 0.00 2.74 2.66 0.00 87 Q 9.20 4.98 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.03 0.00 0.00 0.00 0.00 0.00 1.31 2.03 0.00 88 S 8.42 4.06 0.00 3.51 3.08 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 0.00 0.00 0.00 0.00 89 L 8.58 4.05 0.00 1.77 1.70 1.11 0.88 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 90 V 7.38 3.76 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 0.78 0.00 0.00 0.83 0.00 0.00 91 G 8.84 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 L 7.97 4.25 0.00 1.80 1.77 0.94 1.22 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 93 D 8.53 5.09 0.00 2.93 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 94 I 8.05 3.70 1.84 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 1.60 0.88 0.86 0.00 0.00 95 D 8.08 4.38 0.00 2.69 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 96 E 8.86 4.03 0.00 2.24 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 2.32 2.43 0.00 97 M 8.22 4.40 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.81 0.00 98 Q 8.27 3.88 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 99 A 8.20 4.09 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.69 4.42 0.00 3.57 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 3.96 0.00 1.96 1.82 0.76 1.31 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 0.00 102 E 8.41 4.06 0.00 2.24 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 2.38 2.68 0.00 103 R 8.45 4.18 0.00 2.24 2.35 0.00 2.99 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.00 0.00 104 F 8.62 4.02 0.00 3.02 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 0.00 105 I 8.17 3.58 1.95 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.74 0.94 0.00 0.00 106 D 8.21 4.34 0.00 2.90 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 0.00 107 D 8.17 4.22 0.00 2.95 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 0.00 108 I 7.54 3.44 1.78 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.16 0.73 0.00 0.00 109 E 8.30 3.90 0.00 2.09 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 2.30 2.55 0.00 110 Q 7.98 3.95 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 111 R 7.90 4.04 0.00 1.72 1.90 0.00 3.09 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.91 0.00 112 K 8.05 4.32 0.00 1.76 1.82 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.50 1.49 7.81 113 E 7.74 4.78 0.00 1.89 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 2.21 2.33 0.00 114 P 0.00 4.52 0.00 2.02 2.09 0.00 3.70 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 115 Q 7.84 4.26 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 116 N 7.55 4.67 0.00 2.72 2.80 0.00 0.00 7.07 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 0.00 117 T 7.89 4.37 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 *125 S 7.61 4.24 0.00 3.91 3.86 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 0.00 126 P 0.00 4.42 0.00 2.20 2.16 0.00 3.79 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 2.00 1.99 0.00 127 I 7.42 4.44 1.93 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 1.21 0.66 0.34 0.00 0.00 128 L 8.12 4.88 0.00 1.45 1.51 0.80 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 129 F 8.70 4.93 0.00 3.00 2.94 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 0.00 130 I 8.57 4.23 2.01 0.00 0.00 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 1.51 1.12 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.