NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 I 4.2708 7.8827 121.4641 61.5639 39.4945 177.4776 9 V 3.7260 7.7823 119.3566 64.9377 31.3303 176.2528 10 K 3.9958 8.8613 120.3438 59.4626 32.5602 177.8487 11 D 4.3611 8.1607 118.6733 57.4787 40.9906 178.0691 12 F 3.9318 8.4946 121.1539 61.7541 39.0349 177.0598 13 N 4.5017 8.5339 114.7958 56.5505 38.6695 177.3601 14 S 4.2996 8.2721 116.6668 61.3515 62.8426 176.3820 15 I 3.6085 8.1518 121.8940 64.0735 37.6275 177.6926 16 L 3.8637 7.7036 120.4385 57.6917 41.5869 178.7014 17 E 4.1639 7.8666 118.1405 59.0639 29.5660 178.2132 18 E 4.2534 7.7431 116.6758 57.0262 31.0011 177.6025 19 L 4.2000 7.0914 121.6939 54.4501 40.0538 176.3979 20 T 4.6711 7.7028 107.7695 61.4679 70.0563 174.6187 21 F 4.0918 7.1621 115.9065 55.2784 41.3779 174.6481 22 N 4.1812 7.6979 118.7974 52.6998 36.8316 174.7351 23 S 3.9294 6.6141 114.0034 56.7707 63.3286 173.2658 24 R 3.8378 8.4178 129.3442 58.9673 29.9228 176.8542 25 P 4.1790 0.0000 0.0000 65.7850 31.3887 178.6540 26 I 3.5905 7.6450 118.1595 64.3912 37.0300 178.5154 27 I 3.6195 7.7939 120.7531 64.8307 36.9672 178.6076 28 T 3.8714 8.4009 116.7062 66.8368 68.2091 176.9090 29 T 3.8030 8.2038 117.9961 66.6918 68.5242 176.7494 30 L 3.7937 8.2337 121.1846 58.0963 41.5445 179.8407 31 T 3.8613 7.9338 115.7234 66.2843 68.2525 176.7729 32 K 3.9520 8.0254 121.6113 59.4759 32.3584 178.7776 33 L 4.0000 7.9516 119.0973 57.8801 41.3093 179.5267 34 A 4.3083 7.6623 120.8937 54.5788 18.3723 178.8626 35 E 4.1257 8.0245 116.7730 59.5238 29.8411 178.4417 36 E 4.3567 8.4573 116.3618 57.0617 31.2000 176.3042 37 N 5.2310 8.0949 115.8003 51.7633 39.2452 175.5943 38 I 3.9361 7.8579 121.2843 64.4538 37.9752 179.2659 39 S 4.0575 8.1310 113.7696 61.0933 63.0418 174.6541 40 C 4.3205 8.3844 117.0871 58.9616 27.9893 173.0782 41 A 4.1521 7.3398 124.2460 53.2412 18.5396 176.4014 42 Q 4.4422 9.1863 125.8133 57.3684 27.2868 175.0809 43 Y 4.2095 7.7124 114.8031 61.0031 37.8739 178.1738 44 F 4.1109 7.6305 118.1949 60.5515 38.9128 177.7780 45 V 3.5741 7.9193 117.2630 66.1694 31.2917 177.3278 46 D 4.4083 9.0048 119.4936 57.6123 40.7215 178.9754 47 A 4.1787 8.5783 121.4243 55.2452 18.3913 179.7787 48 I 3.8354 8.6326 118.8492 64.6720 37.1919 178.5724 49 E 3.9940 8.7408 119.7540 59.3147 29.3020 179.2805 50 S 4.0971 8.2815 113.2106 61.3473 62.4191 176.1433 51 R 3.8895 8.0418 121.2468 59.6232 29.6451 178.3445 52 I 3.6107 7.7787 118.4701 64.5759 37.1791 177.8157 53 E 4.1020 8.5133 118.9767 58.1413 29.5185 177.8370 54 K 4.4899 7.8397 117.0372 55.0735 34.0732 177.7823 55 C 4.2744 8.5361 113.2695 58.5841 28.1814 173.0757 *57 P 4.3706 0.0000 0.0000 61.7995 33.2687 177.1884 58 K 4.2270 7.9575 114.1552 57.3102 32.8863 176.8361 59 Q 4.4038 7.6163 117.0958 55.1438 30.7544 177.1917 60 K 3.9132 7.9096 118.6007 59.2051 31.9024 178.4826 61 L 3.6704 7.4186 120.1634 58.3900 41.9222 178.6093 62 Y 4.1109 6.6360 115.8937 60.8878 37.7322 178.3088 63 A 4.0608 7.9587 121.4252 55.1290 18.5381 179.5333 64 F 4.0841 8.1259 116.4165 60.6158 38.8888 177.5756 65 Y 4.6075 8.2798 116.6346 61.1644 37.7013 178.3758 66 A 4.0402 8.3175 121.6742 55.1297 18.5812 179.3017 67 L 3.6598 8.0759 118.8350 58.2117 41.9661 178.6050 68 D 4.5967 8.8331 118.1891 57.6545 41.3159 177.9586 69 S 4.1251 8.5741 113.9221 61.6597 62.2490 176.3262 70 I 3.6571 7.7744 122.1946 64.6473 36.7286 178.3045 71 C 4.2171 8.0848 117.4425 62.6821 27.7100 176.1314 72 K 3.9423 8.3419 120.7563 58.9659 31.8943 177.8664 73 N 4.6915 8.5886 115.2645 53.7324 39.2964 176.4789 74 V 4.1451 8.0745 118.6231 64.8849 33.5329 176.4860 75 G 3.9991 8.4628 106.7608 45.4771 0.0000 172.6566 76 S 4.2923 8.6009 118.0946 58.3359 62.9765 172.8821 77 P 4.4164 0.0000 0.0000 63.0629 30.9908 177.3466 78 Y 3.8215 7.7074 119.1464 61.4134 37.7719 178.0010 79 T 4.1145 8.1014 110.3635 65.2374 68.3334 176.0861 80 I 3.8074 7.6634 120.9795 64.0473 36.9937 177.6118 81 Y 4.3802 8.1106 117.4465 61.3661 37.5900 178.7905 82 F 4.5251 9.1406 118.9977 60.4486 38.7311 177.6026 83 S 4.0494 8.1969 114.4821 61.9988 62.7453 176.5848 84 R 4.1425 7.5497 118.3526 58.8480 30.1637 177.8888 85 N 4.9378 7.9323 112.5042 52.4339 39.4317 175.8484 86 L 3.9632 7.6629 123.8151 58.4380 42.0110 178.6237 87 F 4.2028 8.2282 119.4765 61.6335 39.5663 176.6975 88 N 3.8458 8.1603 115.4221 56.1288 38.4060 177.3159 89 L 4.0773 8.2242 120.6032 57.6355 41.6246 178.8975 90 Y 3.8626 8.4708 119.9043 60.4728 38.8086 177.5997 91 K 3.0534 7.9003 120.9100 59.4781 31.8988 178.4955 92 R 3.8186 7.3122 116.8805 59.6439 30.2086 178.3754 93 T 3.9618 7.7797 115.2791 66.7805 68.4543 175.7126 94 Y 3.8900 7.9121 121.6315 60.9740 38.5616 178.2501 95 L 4.4024 8.1576 117.1945 56.3886 41.8822 178.1169 96 L 4.5610 7.7360 117.3253 53.6363 42.6473 176.0147 97 V 4.3259 6.5587 110.4261 58.7411 34.7084 175.2134 98 D 4.6049 8.0099 121.4697 52.9582 41.6542 176.9313 99 N 4.2329 8.4192 116.1021 56.5148 38.2936 177.7167 100 T 3.8313 7.8436 116.7620 67.0447 68.5059 176.6107 101 T 3.7953 8.2209 117.5224 66.4522 68.3451 176.8875 102 R 3.6046 7.7589 120.0039 59.5570 30.0085 179.0151 103 T 3.8591 7.8879 115.2041 66.7859 68.2671 176.7198 104 K 3.9970 7.5285 118.8957 59.4648 32.1130 179.0504 105 L 3.9695 7.8496 118.7158 57.8135 41.7653 179.3834 106 I 4.1622 8.1461 120.0068 64.1720 37.0835 179.0434 107 N 4.5465 8.1965 115.9162 53.5449 38.0915 176.7824 *109 F 4.1775 8.0823 124.5829 58.0335 41.5879 176.9781 110 K 3.7758 8.1835 119.9255 59.4835 31.7298 179.3138 111 L 4.1778 7.6805 118.6897 57.4846 41.3974 179.5312 112 W 4.5870 7.7948 118.7703 59.3851 28.6632 178.3790 113 L 4.2609 7.6232 117.6973 55.7886 42.6336 176.8070 114 N 4.9415 7.6673 117.1354 50.1406 38.6503 174.3360 115 P 5.3013 0.0000 0.0000 62.4878 32.2814 178.8714 116 N 3.9427 12.0000 120.1857 53.2512 39.3203 177.2032 117 D 4.8459 7.6111 127.2094 53.9539 41.4123 175.3118 118 T 4.3826 8.1397 113.6553 63.0728 71.0088 173.8322 119 G 3.6848 9.1465 108.0815 44.9247 0.0000 173.3194 120 L 4.2030 7.6404 114.4641 53.6023 44.7817 171.0913 121 P 4.2674 0.0000 0.0000 62.0227 30.6347 176.4480 122 L 3.9666 8.2141 126.8346 56.8765 42.1530 177.2492 123 F 4.8594 7.4762 117.2257 55.3217 41.4138 174.4899 124 E 4.5631 8.9580 122.9565 55.1065 32.0012 176.0504 125 G 3.8327 8.6383 104.9797 44.8157 0.0000 173.6433 126 S 4.4528 8.5159 112.0616 58.7916 63.5667 175.4250 127 A 3.9929 7.9631 125.3272 55.7952 18.0969 179.5234 128 L 4.3243 7.9556 116.7036 57.7501 41.8242 179.1968 129 E 4.0089 8.1743 118.9699 59.2712 29.6333 178.8422 130 K 3.7582 8.1363 118.6408 59.3612 31.9236 179.4285 131 I 3.8025 7.7883 120.1128 64.2060 36.8737 177.9693 132 E 3.6705 8.1244 120.0578 59.5064 29.6375 178.9481 133 Q 3.9594 8.1543 117.9388 58.8259 28.7090 178.5515 134 F 4.2328 8.4996 121.8914 61.4725 39.2377 177.2814 135 L 3.4771 7.9319 117.6693 57.3360 41.3492 179.2991 136 I 3.7854 7.6139 119.5300 64.3550 37.2020 178.2972 137 K 4.0879 7.7296 116.5337 57.7496 32.0442 177.5691 138 A 4.2813 7.0504 125.1165 51.9531 19.2095 175.9716 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 I 7.88 4.27 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.60 1.21 0.00 0.00 9 V 7.78 3.73 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 1.09 0.00 0.00 0.78 0.00 0.00 10 K 8.86 4.00 0.00 1.88 1.82 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.56 7.81 11 D 8.16 4.36 0.00 2.97 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 12 F 8.49 3.93 0.00 3.25 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.53 4.50 0.00 3.06 2.95 0.00 0.00 7.14 8.08 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 14 S 8.27 4.30 0.00 3.87 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 15 I 8.15 3.61 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.05 0.77 0.00 0.00 16 L 7.70 3.86 0.00 1.63 1.83 0.86 0.98 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 17 E 7.87 4.16 0.00 2.17 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 2.51 2.51 0.00 18 E 7.74 4.25 0.00 2.02 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 2.57 2.46 0.00 19 L 7.09 4.20 0.00 1.55 1.74 0.77 0.96 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 20 T 7.70 4.67 4.35 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 1.33 0.00 0.00 21 F 7.16 4.09 0.00 2.86 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 22 N 7.70 4.18 0.00 2.75 2.80 0.00 0.00 6.85 7.63 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 23 S 6.61 3.93 0.00 2.72 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 24 R 8.42 3.84 0.00 1.82 1.94 0.00 3.32 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 25 P 0.00 4.18 0.00 2.11 2.09 0.00 3.43 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 26 I 7.64 3.59 1.66 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.43 0.76 0.00 0.00 27 I 7.79 3.62 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.80 0.91 0.00 0.00 28 T 8.40 3.87 4.41 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 1.19 0.00 0.00 29 T 8.20 3.80 4.37 0.00 0.00 0.00 0.00 0.00 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 30 L 8.23 3.79 0.00 1.61 1.45 0.68 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.93 3.86 4.40 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 0.00 0.00 0.00 1.19 0.00 0.00 32 K 8.03 3.95 0.00 1.84 1.93 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.71 1.49 7.81 33 L 7.95 4.00 0.00 1.93 1.65 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.66 4.31 1.05 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 35 E 8.02 4.13 0.00 2.07 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 0.00 2.37 2.40 0.00 36 E 8.46 4.36 0.00 2.05 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 2.36 2.56 0.00 37 N 8.09 5.23 0.00 3.25 2.85 0.00 0.00 6.82 7.78 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 38 I 7.86 3.94 1.87 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.96 0.79 0.00 0.00 39 S 8.13 4.06 0.00 3.95 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 40 C 8.38 4.32 0.00 2.30 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 0.00 0.00 0.00 0.00 41 A 7.34 4.15 0.70 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 0.00 0.00 42 Q 9.19 4.44 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.86 0.00 0.00 0.00 0.00 0.00 1.83 1.94 0.00 43 Y 7.71 4.21 0.00 2.94 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 44 F 7.63 4.11 0.00 3.07 2.55 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 45 V 7.92 3.57 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 0.89 0.00 0.00 0.30 0.00 0.00 46 D 9.00 4.41 0.00 2.88 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 47 A 8.58 4.18 1.70 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 0.00 0.00 48 I 8.63 3.84 2.34 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.41 0.91 0.00 0.00 49 E 8.74 3.99 0.00 2.08 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 2.57 2.85 0.00 50 S 8.28 4.10 0.00 4.10 4.07 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 51 R 8.04 3.89 0.00 2.12 2.13 0.00 3.23 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 1.64 1.73 0.00 52 I 7.78 3.61 1.85 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.59 0.77 0.00 0.00 53 E 8.51 4.10 0.00 1.93 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 0.00 2.33 2.35 0.00 54 K 7.84 4.49 0.00 1.77 1.83 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.61 7.81 55 C 8.54 4.27 0.00 3.09 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 *57 P 0.00 4.37 0.00 2.05 2.33 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.05 0.00 58 K 7.96 4.23 0.00 1.85 1.89 0.00 1.53 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.47 7.81 59 Q 7.62 4.40 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.92 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 60 K 7.91 3.91 0.00 1.73 1.89 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.46 7.81 61 L 7.42 3.67 0.00 1.32 0.82 0.53 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 6.64 4.11 0.00 3.07 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 63 A 7.96 4.06 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 64 F 8.13 4.08 0.00 3.24 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 65 Y 8.28 4.61 0.00 3.32 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 66 A 8.32 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 3.66 0.00 1.54 1.83 0.40 0.95 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 68 D 8.83 4.60 0.00 3.29 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 69 S 8.57 4.13 0.00 3.92 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 70 I 7.77 3.66 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.53 0.51 0.00 0.00 71 C 8.08 4.22 0.00 3.07 2.71 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 72 K 8.34 3.94 0.00 1.83 1.94 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.49 7.81 73 N 8.59 4.69 0.00 2.77 2.85 0.00 0.00 6.86 7.71 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 74 V 8.07 4.15 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 1.07 0.00 0.00 0.89 0.00 0.00 75 G 8.46 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 76 S 8.60 4.29 0.00 3.78 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 77 P 0.00 4.42 0.00 1.01 1.82 0.00 3.24 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.52 0.00 78 Y 7.71 3.82 0.00 3.35 3.25 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 0.00 0.00 0.00 0.00 79 T 8.10 4.11 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 1.00 0.00 0.00 80 I 7.66 3.81 2.06 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 1.62 0.81 1.04 0.00 0.00 81 Y 8.11 4.38 0.00 2.81 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 82 F 9.14 4.53 0.00 3.48 3.06 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 0.00 0.00 0.00 83 S 8.20 4.05 0.00 4.27 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 84 R 7.55 4.14 0.00 1.92 2.01 0.00 3.17 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 85 N 7.93 4.94 0.00 3.06 2.85 0.00 0.00 6.71 6.74 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 86 L 7.66 3.96 0.00 1.59 1.55 0.63 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 87 F 8.23 4.20 0.00 3.14 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 88 N 8.16 3.85 0.00 2.79 2.77 0.00 0.00 7.07 6.74 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 89 L 8.22 4.08 0.00 1.90 1.78 0.92 0.60 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 90 Y 8.47 3.86 0.00 3.36 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 K 7.90 3.05 0.00 0.79 1.09 0.00 0.79 0.00 0.00 1.10 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.03 0.80 7.81 92 R 7.31 3.82 0.00 1.79 1.90 0.00 3.30 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 93 T 7.78 3.96 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 1.14 0.00 0.00 94 Y 7.91 3.89 0.00 2.95 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 95 L 8.16 4.40 0.00 1.84 1.78 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.74 4.56 0.00 1.69 1.65 0.91 0.69 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 97 V 6.56 4.33 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 0.71 0.00 0.00 0.79 0.00 0.00 98 D 8.01 4.60 0.00 2.88 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 99 N 8.42 4.23 0.00 2.69 2.84 0.00 0.00 6.82 7.05 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 0.00 100 T 7.84 3.83 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 101 T 8.22 3.80 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 1.00 0.00 0.00 102 R 7.76 3.60 0.00 1.77 1.59 0.00 2.89 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.40 0.00 103 T 7.89 3.86 4.41 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 1.21 0.00 0.00 104 K 7.53 4.00 0.00 1.80 1.92 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.50 7.81 105 L 7.85 3.97 0.00 1.68 1.48 0.56 0.28 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 0.00 106 I 8.15 4.16 2.10 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.10 1.02 0.00 0.00 107 N 8.20 4.55 0.00 2.88 2.82 0.00 0.00 6.62 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 *109 F 8.08 4.18 0.00 2.85 3.18 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 0.00 0.00 0.00 110 K 8.18 3.78 0.00 2.03 1.81 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.59 7.81 111 L 7.68 4.18 0.00 1.63 1.74 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 112 W 7.79 4.59 0.00 3.47 3.24 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 0.00 113 L 7.62 4.26 0.00 1.60 1.62 0.75 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 114 N 7.67 4.94 0.00 2.71 2.69 0.00 0.00 7.06 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 0.00 115 P 0.00 5.30 0.00 2.04 2.10 0.00 3.85 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 116 N 12.00 3.94 0.00 2.79 2.12 0.00 0.00 6.83 7.94 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 0.00 117 D 7.61 4.85 0.00 3.08 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 0.00 118 T 8.14 4.38 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 1.20 0.00 0.00 119 G 9.15 3.68 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 0.00 0.00 0.00 120 L 7.64 4.20 0.00 1.53 1.47 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.27 0.00 2.24 2.13 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 122 L 8.21 3.97 0.00 1.42 1.38 0.71 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.48 4.86 0.00 3.15 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 0.00 124 E 8.96 4.56 0.00 2.09 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 2.32 0.00 125 G 8.64 3.83 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 0.00 0.00 0.00 126 S 8.52 4.45 0.00 3.99 4.08 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 0.00 127 A 7.96 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.96 4.32 0.00 1.84 1.94 1.16 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.17 4.01 0.00 2.10 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 2.37 2.45 0.00 130 K 8.14 3.76 0.00 1.47 0.74 0.00 1.26 0.00 0.00 0.86 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.07 1.38 7.81 131 I 7.79 3.80 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 -0.32 0.00 0.00 132 E 8.12 3.67 0.00 2.49 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 0.00 2.39 2.66 0.00 133 Q 8.15 3.96 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 134 F 8.50 4.23 0.00 3.27 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.93 3.48 0.00 1.55 1.54 0.59 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.61 3.79 2.01 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 1.50 0.57 0.88 0.00 0.00 137 K 7.73 4.09 0.00 1.68 1.81 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.43 7.81 138 A 7.05 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.