NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2056 8.1631 115.2383 62.0494 67.7369 172.8171 3 G 3.9453 7.8746 114.2183 43.4220 0.0000 168.0889 4 H 4.7743 10.0575 118.6522 54.6132 30.7446 173.7751 5 I 4.1997 8.5651 124.0778 62.2190 39.1405 175.4708 6 D 5.0641 7.7157 116.9543 51.3549 43.8686 173.9204 7 P 4.5645 0.0000 0.0000 62.5704 32.5619 176.8195 8 T 4.3490 8.1723 110.6579 60.9603 71.3339 175.9278 9 K 4.0656 8.5116 121.9140 60.2441 32.6685 179.1597 10 E 3.9694 8.1345 119.2664 59.3262 29.5091 179.3688 11 V 3.9601 7.6518 119.5529 65.3544 31.6057 177.8601 12 F 4.1771 8.5867 120.2868 60.9864 39.0630 177.0314 13 A 4.0355 8.1183 120.7936 55.2279 17.8791 179.4772 14 Q 3.9110 7.9991 116.1173 58.9692 28.5027 179.0164 15 F 4.0251 7.8182 120.7004 61.5106 39.5740 177.2392 16 R 3.8491 7.6310 115.9012 59.0015 29.8352 178.6540 17 A 4.2023 7.8865 120.2825 53.7673 19.3853 177.9187 18 N 4.5805 7.4590 116.6886 51.8761 37.4964 174.2874 19 D 4.8026 7.7845 127.3653 51.8133 40.5766 177.7737 20 R 3.9314 7.2900 114.8833 56.9770 29.8950 175.9368 21 E 3.9177 8.4595 121.6601 56.3090 30.2784 175.2920 22 G 4.3079 8.6970 110.1765 42.2553 0.0000 171.6231 23 P 4.6332 0.0000 0.0000 62.4004 32.2144 175.9404 24 I 4.6920 8.4654 113.7520 59.8512 40.7235 174.6482 25 H 5.7345 8.8106 122.6843 53.2407 32.6530 172.2979 *27 L 4.4145 8.2311 119.8879 55.7908 43.5479 175.8263 28 N 5.1016 8.6847 124.5252 51.4096 40.8959 173.8926 29 L 4.4985 8.4985 124.2606 52.7164 44.3342 175.6093 30 V 4.6427 8.8054 124.8961 60.9730 34.4513 174.0264 31 R 4.9257 9.4908 129.3645 54.8315 31.4829 175.0656 32 L 4.9523 9.1808 127.6012 53.8106 43.2482 176.9785 33 R 4.1776 8.9102 119.5256 55.5195 30.8279 175.4248 34 P 4.2782 0.0000 0.0000 66.1874 32.2769 176.6401 35 R 5.0665 7.7564 117.7828 54.4694 31.4624 177.4457 36 A 4.1526 9.0158 127.1961 51.3915 18.7877 178.1630 37 A 4.5672 8.6113 125.9471 50.7776 17.7234 176.0928 38 Y 4.2381 7.9905 118.2816 56.2753 39.5605 174.8037 39 P 4.4068 0.0000 0.0000 65.6410 31.6968 177.4409 40 D 4.5304 7.9814 115.8410 53.2588 39.6774 176.4738 41 G 3.8208 8.5708 108.5719 45.9278 0.0000 174.0325 42 R 3.7472 7.4970 116.2355 56.5248 29.6006 175.4114 43 E 4.6166 8.4909 121.1013 55.2443 30.7907 174.5198 44 T 4.8017 8.2139 120.4285 61.0057 71.4308 172.5426 45 T 4.5746 8.9322 115.5991 61.1731 70.0431 175.8871 46 G 4.0939 8.9530 111.1043 47.4200 0.0000 175.9355 47 A 4.1284 8.0116 122.3754 55.1295 18.5248 179.3466 48 E 3.9531 8.4787 116.9443 59.6015 29.5529 179.5934 49 A 4.1883 8.2690 120.8265 55.3231 18.4036 179.0782 50 Y 4.0146 8.6879 118.3803 60.6099 38.8379 177.9037 51 A 3.9777 8.5712 121.9271 55.2357 18.4297 179.3974 52 A 3.8105 7.9950 119.1292 55.3356 18.3436 178.9089 53 Y 4.3170 8.0244 118.1268 60.9607 38.7772 178.5745 54 G 3.2813 7.8421 106.3606 47.8177 0.0000 175.1786 55 R 3.8081 8.1427 120.7908 59.1040 30.1338 177.7501 56 D 4.5277 8.0691 116.7359 55.7741 41.4287 178.0968 57 S 4.5806 8.0335 114.5200 59.4283 63.4820 176.3210 58 G 3.8062 7.8440 110.0986 47.8244 0.0000 173.8702 59 P 4.2367 0.0000 0.0000 64.7242 31.3694 179.0721 60 V 3.5804 7.6836 116.8809 65.9201 31.1085 177.8041 61 S 4.1518 8.1033 112.9126 61.4251 62.1938 175.7074 62 E 3.9166 8.4379 122.2401 59.3775 29.1706 178.7435 63 R 3.9651 7.8875 117.5236 58.8151 30.1494 177.4491 64 L 4.5927 7.5606 115.7097 54.3676 41.9922 177.4673 65 G 3.9631 8.0092 107.8361 44.8925 0.0000 174.2238 66 G 3.7442 7.7400 108.2633 43.5178 0.0000 173.2542 *68 V 3.9452 7.9636 117.6487 62.9788 31.6383 175.1963 69 V 4.1960 8.4369 120.6052 61.9086 32.6987 175.9751 70 W 5.1991 7.8070 128.4131 56.4158 34.0079 172.8384 71 Q 4.2810 7.4666 125.6079 54.5678 31.5446 173.6426 72 G 3.9942 7.7822 111.6267 44.3853 0.0000 171.6642 73 Q 4.4334 8.5213 122.9973 54.3725 29.9261 175.4676 74 F 4.3663 8.9970 128.0786 58.5294 40.0617 174.0670 75 E 4.5433 7.8333 126.1439 57.4518 32.6027 175.7130 76 L 3.7529 6.1654 121.9564 54.8269 46.1725 175.0600 *78 L 4.3624 8.7311 115.4708 53.9902 43.6043 177.0006 79 I 4.4104 8.4003 117.7145 58.7792 39.5675 174.8565 80 G 4.2579 8.6302 110.9107 42.1568 0.0000 170.8357 81 P 4.5078 0.0000 0.0000 62.3398 31.9828 177.6825 82 Q 4.1356 8.5866 119.8556 58.5745 28.8921 177.2531 83 D 4.4031 8.0054 116.1336 54.9159 39.6394 175.9125 84 E 3.9437 7.7162 120.7632 55.4834 30.0935 175.4061 85 H 3.9989 7.0124 117.6238 53.7345 31.2257 172.7879 86 W 4.9753 6.3522 119.7138 55.2218 32.6412 174.8518 87 D 4.7056 9.2227 121.2719 55.6311 41.9312 176.8765 88 H 5.1337 8.0829 114.7501 53.8623 32.7779 173.1529 89 V 5.1855 8.7028 121.7838 60.2851 34.7324 173.8978 90 F 5.2255 8.2238 121.1346 56.1784 41.6569 172.6175 91 I 4.9539 9.6336 120.2258 59.5379 39.6244 174.5487 92 A 5.0949 8.8436 128.4350 50.2177 21.7726 174.6808 93 E 4.9660 8.5444 122.6778 54.8809 32.2658 174.1913 94 Y 5.2096 8.9233 122.9055 55.6489 41.7995 174.8379 95 P 4.5613 0.0000 0.0000 64.4385 32.0429 175.9373 96 S 4.6170 7.6097 112.3448 56.0048 65.6772 175.5231 97 V 3.5694 8.3611 120.3960 66.1414 31.1491 178.0443 98 A 4.0623 8.0203 119.8532 54.9405 18.0050 179.3239 99 A 4.0141 8.2033 119.2915 55.2897 18.5519 179.3320 100 F 3.7559 7.7710 117.0069 61.2643 39.7407 177.2695 101 V 4.0297 8.2460 118.0046 65.7996 31.2137 178.3625 102 E 3.9804 8.2496 118.3817 56.2674 29.2409 178.5546 *104 I 3.5374 7.7638 112.5218 60.3238 39.3613 176.1322 105 R 4.2299 7.5707 118.9797 57.0064 30.7806 176.8514 106 D 4.4364 7.6990 119.4739 53.4170 42.3760 174.6645 107 P 4.2799 0.0000 0.0000 66.2958 31.1847 178.7289 108 V 3.6061 8.2061 117.9531 65.7684 31.3418 177.4493 109 Y 3.9881 8.0522 118.8108 60.8025 38.5841 177.8027 110 R 3.9266 8.5319 118.1036 59.1128 30.4639 178.7681 111 E 4.0592 8.0815 117.8655 59.3366 29.6368 178.8954 112 A 4.1185 7.9110 121.0364 55.2468 18.3489 180.0383 113 V 3.3431 7.7316 117.3825 64.3289 31.4539 178.5269 114 K 3.9229 7.7734 119.1737 59.8898 31.5695 178.7360 115 H 4.1370 7.9738 115.5844 58.8023 28.9548 177.3872 116 R 3.8027 7.4991 119.9565 59.4704 29.5502 178.3670 117 Q 3.8854 7.8018 116.6714 58.8710 28.8795 178.4100 118 A 4.0472 7.8131 122.1716 53.7067 18.1959 179.2019 119 A 4.0964 7.7695 119.2939 52.7705 19.0915 177.3758 120 V 4.2945 7.1631 116.8266 61.9120 32.4977 174.9662 121 E 4.2562 9.3082 129.1846 58.7778 30.7735 175.3974 122 D 5.1637 7.7982 116.7295 53.6079 44.8603 173.6822 123 S 5.1840 8.3076 116.2225 58.0358 66.4024 174.2687 124 R 4.6150 8.5739 119.2978 54.2268 34.0375 174.6290 125 L 4.9615 8.4686 123.7513 53.5714 44.3982 175.1899 126 I 4.4181 8.7118 128.2291 59.4833 38.9441 175.4238 127 R 4.5812 8.5624 127.7626 55.3329 31.0101 175.3191 128 L 4.8840 9.1597 125.7492 52.7064 46.2520 175.5732 129 K 4.4171 8.4779 122.9816 54.4103 32.8998 174.9011 130 P 4.2781 0.0000 0.0000 62.7762 31.8457 175.5925 131 L 4.7546 7.9597 121.0791 52.2666 44.5732 176.5432 132 K 4.0061 8.4907 121.1939 55.9318 32.5130 176.5871 133 P 4.6124 0.0000 0.0000 62.8092 29.0409 176.5672 134 G 3.6949 7.4488 111.9042 46.5177 0.0000 170.5266 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 T 8.16 4.21 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 1.19 0.00 0.00 3 G 7.87 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 4 H 10.06 4.77 0.00 3.35 3.27 0.00 5.57 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 5 I 8.57 4.20 1.85 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 1.53 0.60 0.87 0.00 0.00 6 D 7.72 5.06 0.00 2.60 2.51 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 0.00 7 P 0.00 4.56 0.00 2.24 2.09 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 8 T 8.17 4.35 4.42 0.00 0.00 0.00 0.00 0.00 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 9 K 8.51 4.07 0.00 2.06 2.14 0.00 1.53 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.57 7.81 10 E 8.13 3.97 0.00 2.11 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 2.42 2.46 0.00 11 V 7.65 3.96 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 1.18 0.00 0.00 0.97 0.00 0.00 12 F 8.59 4.18 0.00 3.25 3.09 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 0.00 0.00 0.00 0.00 13 A 8.12 4.04 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 14 Q 8.00 3.91 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 15 F 7.82 4.03 0.00 2.82 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 16 R 7.63 3.85 0.00 1.91 1.92 0.00 3.29 0.00 0.00 3.44 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.31 0.00 17 A 7.89 4.20 1.32 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 0.00 0.00 0.00 18 N 7.46 4.58 0.00 2.55 2.56 0.00 0.00 7.11 9.28 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 19 D 7.78 4.80 0.00 2.71 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 20 R 7.29 3.93 0.00 1.95 1.92 0.00 3.32 0.00 0.00 3.03 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 21 E 8.46 3.92 0.00 1.93 1.87 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 2.28 2.30 0.00 22 G 8.70 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 0.00 0.00 0.00 0.00 23 P 0.00 4.63 0.00 2.04 2.05 0.00 3.60 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 24 I 8.47 4.69 1.88 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 1.18 0.82 0.00 0.00 25 H 8.81 5.73 0.00 3.07 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 L 8.23 4.41 0.00 1.76 1.54 1.01 0.47 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 28 N 8.68 5.10 0.00 1.44 2.18 0.00 0.00 6.37 6.76 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 29 L 8.50 4.50 0.00 0.27 0.13 0.44 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.81 4.64 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 0.82 0.00 0.00 1.02 0.00 0.00 31 R 9.49 4.93 0.00 1.74 1.92 0.00 2.97 0.00 0.00 2.77 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.22 0.00 32 L 9.18 4.95 0.00 1.48 1.56 0.88 0.81 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 33 R 8.91 4.18 0.00 1.84 2.03 0.00 2.76 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 34 P 0.00 4.28 0.00 2.09 2.15 0.00 3.54 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 35 R 7.76 5.07 0.00 1.57 1.69 0.00 3.27 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00 36 A 9.02 4.15 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 37 A 8.61 4.57 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 38 Y 7.99 4.24 0.00 3.03 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 39 P 0.00 4.41 0.00 2.07 2.12 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 40 D 7.98 4.53 0.00 2.77 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 41 G 8.57 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 0.00 0.00 0.00 42 R 7.50 3.75 0.00 1.85 2.13 0.00 2.21 0.00 0.00 2.73 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 0.00 43 E 8.49 4.62 0.00 1.98 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 0.00 2.21 2.36 0.00 44 T 8.21 4.80 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 1.42 0.00 0.00 45 T 8.93 4.57 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 1.29 0.00 0.00 46 G 8.95 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.01 4.13 1.38 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 0.00 0.00 48 E 8.48 3.95 0.00 2.25 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 2.37 2.38 0.00 49 A 8.27 4.19 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 8.69 4.01 0.00 3.18 3.10 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 51 A 8.57 3.98 1.45 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 52 A 8.00 3.81 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 53 Y 8.02 4.32 0.00 2.88 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 54 G 7.84 3.28 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 0.00 55 R 8.14 3.81 0.00 1.70 2.17 0.00 3.22 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 56 D 8.07 4.53 0.00 2.63 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 57 S 8.03 4.58 0.00 4.11 3.79 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 58 G 7.84 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 0.00 0.00 0.00 59 P 0.00 4.24 0.00 2.16 2.10 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 60 V 7.68 3.58 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 1.04 0.00 0.00 0.98 0.00 0.00 61 S 8.10 4.15 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 62 E 8.44 3.92 0.00 2.17 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 2.30 2.30 0.00 63 R 7.89 3.97 0.00 2.09 2.14 0.00 3.31 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 64 L 7.56 4.59 0.00 1.73 1.73 0.88 1.16 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 65 G 8.01 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 66 G 7.74 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 0.00 0.00 0.00 *68 V 7.96 3.95 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 0.85 0.00 0.00 0.80 0.00 0.00 69 V 8.44 4.20 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 0.71 0.00 0.00 0.97 0.00 0.00 70 W 7.81 5.20 0.00 3.37 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.47 4.28 0.00 1.88 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.55 0.00 0.00 0.00 0.00 0.00 2.05 2.42 0.00 72 G 7.78 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 0.00 0.00 0.00 73 Q 8.52 4.43 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 74 F 9.00 4.37 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 75 E 7.83 4.54 0.00 1.82 1.84 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 2.18 2.41 0.00 76 L 6.17 3.75 0.00 1.38 1.15 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *78 L 8.73 4.36 0.00 1.63 1.72 0.92 0.88 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 79 I 8.40 4.41 1.90 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 1.36 0.81 0.93 0.00 0.00 80 G 8.63 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 0.00 0.00 0.00 0.00 81 P 0.00 4.51 0.00 2.22 2.19 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 82 Q 8.59 4.14 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.09 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 83 D 8.01 4.40 0.00 2.71 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 84 E 7.72 3.94 0.00 2.13 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 1.98 2.10 0.00 85 H 7.01 4.00 0.00 2.48 2.93 0.00 5.47 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 W 6.35 4.98 0.00 3.13 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 87 D 9.22 4.71 0.00 2.50 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.08 5.13 0.00 3.03 3.36 0.00 5.56 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 89 V 8.70 5.19 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 1.56 0.00 0.00 1.13 0.00 0.00 90 F 8.22 5.23 0.00 3.26 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 91 I 9.63 4.95 2.13 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.22 0.90 0.00 0.00 92 A 8.84 5.09 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.54 4.97 0.00 2.04 1.76 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 2.32 2.44 0.00 94 Y 8.92 5.21 0.00 3.12 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 95 P 0.00 4.56 0.00 2.23 2.22 0.00 4.02 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 96 S 7.61 4.62 0.00 3.99 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 97 V 8.36 3.57 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 0.63 0.00 0.00 0.55 0.00 0.00 98 A 8.02 4.06 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 99 A 8.20 4.01 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.77 3.76 0.00 2.88 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 0.00 101 V 8.25 4.03 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 1.14 0.00 0.00 1.27 0.00 0.00 102 E 8.25 3.98 0.00 2.18 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 0.00 2.56 2.48 0.00 *104 I 7.76 3.54 1.66 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.51 0.21 0.00 0.00 105 R 7.57 4.23 0.00 1.96 2.02 0.00 3.21 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 106 D 7.70 4.44 0.00 2.89 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 0.00 107 P 0.00 4.28 0.00 2.31 2.32 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 108 V 8.21 3.61 2.26 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 1.00 0.00 0.00 0.94 0.00 0.00 109 Y 8.05 3.99 0.00 3.10 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 0.00 110 R 8.53 3.93 0.00 1.93 2.00 0.00 3.37 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.96 0.00 111 E 8.08 4.06 0.00 2.14 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 2.32 2.46 0.00 112 A 7.91 4.12 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 0.00 113 V 7.73 3.34 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.71 0.00 0.00 114 K 7.77 3.92 0.00 1.90 1.87 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.60 7.81 115 H 7.97 4.14 0.00 3.35 3.66 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.50 3.80 0.00 0.67 1.44 0.00 2.61 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.31 0.00 117 Q 7.80 3.89 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 118 A 7.81 4.05 0.32 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 0.00 0.00 0.00 119 A 7.77 4.10 1.56 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 0.00 0.00 120 V 7.16 4.29 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 0.90 0.00 0.00 1.03 0.00 0.00 121 E 9.31 4.26 0.00 2.13 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 2.24 2.22 0.00 122 D 7.80 5.16 0.00 2.81 2.48 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 0.00 123 S 8.31 5.18 0.00 3.90 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 0.00 124 R 8.57 4.61 0.00 1.32 1.65 0.00 3.18 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.56 0.00 125 L 8.47 4.96 0.00 1.56 1.51 1.06 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.71 4.42 1.81 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 1.05 0.64 0.88 0.00 0.00 127 R 8.56 4.58 0.00 1.89 1.85 0.00 3.07 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 128 L 9.16 4.88 0.00 1.58 1.46 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.48 4.42 0.00 1.66 1.67 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.40 7.81 130 P 0.00 4.28 0.00 1.96 1.75 0.00 3.58 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 1.81 1.41 0.00 131 L 7.96 4.75 0.00 1.56 1.51 0.89 0.89 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 0.00 132 K 8.49 4.01 0.00 1.99 1.76 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.44 1.00 7.81 133 P 0.00 4.61 0.00 2.15 2.08 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 134 G 7.45 3.69 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 0.00 * Residues marked with a * may have inaccurate shift predictions.