NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2285 8.4145 122.1404 53.7460 34.1536 175.7108 4 S 4.7444 7.9201 113.1863 56.3647 65.6360 174.5387 *5 H 5.0057 8.3881 112.4037 55.3125 29.7613 170.4615 6 G 3.8864 8.0074 113.1988 46.6176 0.0000 174.4755 *7 Y 4.2908 8.4077 118.2600 58.1905 37.1279 174.7165 8 R 4.5985 7.6547 118.5061 57.2262 31.3286 181.3019 9 S 4.1663 7.6215 115.3397 60.2042 63.0069 181.7424 10 R 4.0073 9.0329 121.0983 57.8487 28.3343 178.4178 11 T 4.0572 8.2111 110.5670 64.2823 68.6426 182.7592 12 R 3.9687 7.3769 120.3911 60.2027 29.4646 182.8645 *13 Y 4.5224 7.6210 115.9240 58.0206 38.6923 179.5904 14 M 4.1140 7.5395 119.2053 58.7500 31.8647 183.6767 *15 F 4.5531 7.8614 120.3145 56.7503 38.1320 179.7447 16 Q 4.4076 9.1937 123.8432 56.7817 27.5376 179.4086 17 R 4.5193 8.5357 115.9410 58.8455 34.0541 171.8008 18 D 4.5975 8.9028 128.2091 53.2887 37.8470 170.5701 *19 F 4.7438 8.6425 122.7380 58.5804 35.3759 176.2930 20 R 4.6988 7.4757 118.0804 57.6651 35.6304 178.7421 21 K 4.4162 8.0387 122.0405 55.4825 29.6975 179.6683 *22 H 4.8522 7.7043 113.8695 53.7617 28.6640 177.0766 23 G 3.8503 7.9136 104.3380 46.9710 0.0000 171.2746 24 A 3.7552 9.1260 132.6806 52.2303 17.9333 179.1404 25 V 3.5960 8.3962 122.5990 61.6912 32.4295 172.7123 *26 H 4.1972 8.9348 123.8066 54.4524 27.7679 174.2213 27 L 4.2071 8.6987 126.5252 55.4977 40.9117 175.5307 28 S 4.3967 8.2105 118.4230 62.5770 62.6152 182.2476 29 T 4.1299 8.0034 114.8966 63.6053 68.3428 176.8270 *30 Y 4.5459 7.7323 118.4428 59.3002 39.4030 183.7348 31 L 4.5619 8.0520 122.0260 52.8128 40.2028 185.0000 32 K 3.5816 8.8572 116.8544 57.4899 29.6686 174.7542 33 V 4.6279 8.0468 120.9175 59.0530 35.2687 174.1592 *34 Y 4.5945 8.0570 128.4061 55.0204 36.0873 176.9368 35 K 4.4397 9.2367 134.3358 55.5534 33.2255 176.5177 36 V 3.8804 8.2306 123.4132 61.5643 31.5792 173.3549 37 G 4.1938 8.7035 107.4146 46.4599 0.0000 173.7621 38 D 4.5890 8.0633 123.8037 54.3138 41.3406 181.8681 39 I 4.1893 8.4295 124.4533 60.7714 36.0532 176.4217 40 V 4.3848 8.4623 129.4292 60.1960 34.1876 172.3984 41 D 4.8179 9.2580 122.7104 53.2593 42.7533 176.3614 42 I 3.6624 8.4934 126.6806 61.2022 36.2765 174.0578 43 K 4.6559 7.7193 122.3486 54.6597 34.5942 175.0915 44 A 4.0341 8.6203 131.2951 52.7392 19.5112 178.7457 45 N 4.7924 8.4354 117.9284 50.8039 39.5598 176.5609 46 G 4.0082 8.7532 117.3641 48.4660 0.0000 173.6173 47 S 4.0165 8.0564 117.4923 62.3675 62.5179 181.9258 48 I 4.0268 7.7168 121.0598 62.2990 35.9912 177.6915 49 Q 5.0316 7.7566 111.3688 57.7720 30.5921 170.5699 50 K 4.5388 7.5373 121.8978 56.5046 35.2218 182.0980 51 G 4.0713 8.1833 111.0489 45.9786 0.0000 172.8588 52 M 4.6257 8.4379 121.3082 52.3143 33.4426 177.0493 53 P 4.6886 0.0000 0.0000 60.3550 31.5356 170.4150 *54 H 3.8473 8.4512 129.8214 53.9013 28.7252 172.3833 55 K 3.9527 8.9635 129.9810 55.5673 31.1277 180.1497 *56 F 4.1951 8.9493 117.5497 61.2081 38.7861 180.4050 *57 Y 4.3842 7.9083 117.2845 57.7307 36.3582 178.3239 58 Q 4.1837 8.3067 120.3001 56.7481 28.6811 181.9282 59 G 4.1728 8.8867 108.3882 47.6324 0.0000 174.7258 60 K 4.0995 8.4923 123.9415 55.1792 31.8841 182.0354 61 T 4.5452 8.4439 119.3466 59.7249 69.5467 170.9418 62 G 3.9976 8.9287 117.8413 45.1194 0.0000 173.0350 63 V 4.5870 8.4600 124.4078 61.5126 35.6258 172.7798 64 V 3.8602 7.6822 127.1962 60.5974 29.4044 172.2073 *65 Y 4.6636 7.8096 128.4623 52.8613 36.9609 173.7546 66 N 4.4236 8.7961 132.0495 53.7889 40.7535 178.9564 67 V 3.2617 7.2729 113.9462 63.5786 28.1760 178.5855 68 T 4.3782 7.9404 127.4400 60.8030 68.2752 178.6734 69 K 3.9808 8.1259 128.0513 58.3034 32.5308 179.8307 70 S 4.4281 8.1513 117.3926 60.8421 60.3073 180.4491 71 S 3.7742 8.4486 128.3649 60.2831 61.4737 172.6013 72 V 3.8087 7.7703 121.4773 60.7367 31.1339 179.5886 73 G 4.1749 8.4404 119.0142 45.7519 0.0000 171.5157 74 V 4.5492 8.5574 122.0992 60.7366 33.5223 175.3971 75 I 5.0957 8.2861 123.7963 62.2776 41.4815 175.1075 76 I 4.3723 10.1426 123.3297 63.3083 32.0065 173.5934 77 N 5.1272 9.2688 118.2967 54.2206 35.8389 174.3248 78 K 4.3891 8.4654 119.2150 58.7586 39.4701 171.4795 79 M 3.8319 8.4994 115.4031 54.9262 30.9276 178.8482 80 V 4.1060 9.5016 111.6678 62.1723 36.1669 173.3484 81 G 3.5913 10.1230 113.7826 47.4365 0.0000 171.4268 82 N 4.5084 8.6034 124.5451 52.0336 36.4563 175.4080 83 R 4.8727 7.5788 119.8904 55.2243 33.0583 177.5838 *84 Y 4.1560 8.2021 112.6941 60.0022 38.4542 173.2021 85 L 3.6383 7.1929 117.7583 54.3269 37.6840 180.3768 86 E 4.5865 8.6779 128.0993 55.6458 30.2813 173.8035 87 K 4.7212 8.7706 131.1386 53.2947 34.8347 172.5435 88 R 5.0093 8.6141 123.6722 55.7172 32.9361 176.4794 89 L 4.7062 8.3738 126.0134 53.2766 45.0203 174.9602 90 N 5.4934 9.0486 126.3391 51.5100 37.4321 171.9923 91 L 4.5978 8.3597 130.7298 53.8629 44.0107 173.8624 92 R 5.0563 8.3101 117.8542 56.8881 32.6224 175.6922 93 V 3.6485 8.7089 121.2458 63.9319 31.7246 178.2752 94 E 4.4484 8.1530 114.0927 58.1570 30.4299 182.7091 *95 H 4.5169 8.4235 116.0132 57.3390 28.6443 181.4585 96 I 4.6768 7.5614 119.6886 60.7321 37.1310 179.1975 97 K 4.7364 8.5151 124.8407 55.2186 36.6792 179.8270 *98 H 4.8182 9.2289 120.2423 56.7247 28.8612 181.0021 99 S 4.8166 8.0819 115.5681 60.6422 67.1413 178.4608 100 K 4.7337 7.8616 116.6802 57.0976 32.9789 174.1429 101 C 4.6241 8.2423 117.2153 59.6599 27.9298 178.5579 102 R 4.4336 7.5563 121.5686 58.1189 28.1509 182.8918 103 Q 4.6912 8.7258 124.6672 58.7200 29.9054 179.2380 104 E 4.1490 8.4013 119.8115 62.4702 29.4690 185.0000 *105 F 4.3246 8.2768 121.6515 62.7522 37.9617 181.6124 106 L 4.5348 8.7190 124.4459 58.1647 41.0732 181.2814 107 E 4.2400 8.1322 119.1561 63.3836 29.7380 184.5925 108 R 3.9150 9.0791 121.5219 62.1322 29.3735 181.7549 109 V 3.8488 8.3974 120.3807 65.0272 32.4000 181.3201 110 K 4.0495 9.0961 121.1011 59.3604 31.2130 181.2872 111 A 4.0934 5.8000 123.1971 56.4939 19.4006 179.8543 112 N 4.2449 8.4824 117.6441 57.5946 37.4850 178.9821 113 A 4.1648 8.0865 123.7117 54.4732 18.5852 178.8132 114 A 4.3280 8.1193 121.2756 54.4674 19.0637 180.4024 115 K 4.0846 8.1294 125.0242 60.3385 32.2112 183.9601 116 R 4.2788 8.3202 121.0039 59.9842 28.9644 179.7746 117 A 4.6076 7.7675 121.6956 55.9372 19.2768 179.1501 118 E 4.1913 8.1477 115.8380 61.7039 29.7500 181.5211 119 A 4.3777 8.0742 124.0687 55.6624 18.5538 180.2298 120 K 4.0925 7.3910 120.3405 59.7862 31.9609 180.1874 121 A 4.3620 8.8520 127.6511 52.2056 18.2815 177.0161 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 3 K 8.41 4.23 0.00 1.79 1.80 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 4 S 7.92 4.74 0.00 3.67 3.66 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 0.00 0.00 0.00 0.00 *5 H 8.39 5.01 0.00 2.86 2.87 0.00 7.18 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.01 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 0.00 0.00 0.00 *7 Y 8.41 4.29 0.00 2.35 2.20 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 0.00 8 R 7.65 4.60 0.00 1.69 1.89 0.00 3.25 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.14 0.00 9 S 7.62 4.17 0.00 3.63 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 10 R 9.03 4.01 0.00 1.89 2.03 0.00 3.22 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.17 0.00 11 T 8.21 4.06 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 12 R 7.38 3.97 0.00 1.77 1.91 0.00 3.18 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 *13 Y 7.62 4.52 0.00 2.31 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 0.00 0.00 0.00 0.00 14 M 7.54 4.11 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.11 0.00 *15 F 7.86 4.55 0.00 2.29 2.20 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 0.00 16 Q 9.19 4.41 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.20 0.00 17 R 8.54 4.52 0.00 1.77 1.69 0.00 3.33 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 18 D 8.90 4.60 0.00 2.87 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 0.00 0.00 0.00 *19 F 8.64 4.74 0.00 2.39 2.39 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 20 R 7.48 4.70 0.00 1.76 1.78 0.00 3.24 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 21 K 8.04 4.42 0.00 1.77 1.68 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *22 H 7.70 4.85 0.00 2.92 2.95 0.00 7.21 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.91 3.85 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 0.00 0.00 0.00 24 A 9.13 3.76 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 25 V 8.40 3.60 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 0.74 0.00 0.00 0.93 0.00 0.00 *26 H 8.93 4.20 0.00 2.83 3.01 0.00 7.16 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.70 4.21 0.00 1.66 1.60 0.92 0.85 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 S 8.21 4.40 0.00 3.68 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 29 T 8.00 4.13 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 *30 Y 7.73 4.55 0.00 2.31 2.22 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 31 L 8.05 4.56 0.00 1.60 0.58 0.92 0.86 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 32 K 8.86 3.58 0.00 1.84 1.62 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 0.98 7.81 33 V 8.05 4.63 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 0.90 0.00 0.00 0.93 0.00 0.00 *34 Y 8.06 4.59 0.00 2.33 1.43 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 0.00 0.00 0.00 0.00 35 K 9.24 4.44 0.00 1.78 1.88 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.22 0.73 7.81 36 V 8.23 3.88 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 0.88 0.00 0.00 0.93 0.00 0.00 37 G 8.70 4.19 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 0.00 0.00 0.00 38 D 8.06 4.59 0.00 2.38 2.56 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 39 I 8.43 4.19 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 1.20 1.10 0.91 0.00 0.00 40 V 8.46 4.38 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 0.63 0.00 0.00 0.93 0.00 0.00 41 D 9.26 4.82 0.00 2.26 2.54 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 42 I 8.49 3.66 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 1.20 1.09 0.91 0.00 0.00 43 K 7.72 4.66 0.00 1.55 1.59 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.14 1.09 7.81 44 A 8.62 4.03 1.25 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 0.00 0.00 45 N 8.44 4.79 0.00 2.66 2.68 0.00 0.00 7.05 7.38 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 46 G 8.75 4.01 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 0.00 0.00 0.00 47 S 8.06 4.02 0.00 3.64 3.77 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 48 I 7.72 4.03 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 1.16 1.10 0.91 0.00 0.00 49 Q 7.76 5.03 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.81 0.00 0.00 0.00 0.00 0.00 2.03 1.74 0.00 50 K 7.54 4.54 0.00 1.61 1.75 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 0.97 7.81 51 G 8.18 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 0.00 0.00 0.00 52 M 8.44 4.63 0.00 1.98 1.84 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 53 P 0.00 4.69 0.00 1.97 1.99 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.55 0.00 *54 H 8.45 3.85 0.00 2.92 2.97 0.00 7.21 0.00 0.00 0.00 0.00 5.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.96 3.95 0.00 1.92 1.72 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.23 7.81 *56 F 8.95 4.20 0.00 2.20 2.34 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 0.00 *57 Y 7.91 4.38 0.00 2.33 2.20 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 0.00 58 Q 8.31 4.18 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.90 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 59 G 8.89 4.17 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 0.00 60 K 8.49 4.10 0.00 1.74 1.63 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.39 1.25 7.81 61 T 8.44 4.55 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 62 G 8.93 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 63 V 8.46 4.59 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 0.75 0.00 0.00 0.93 0.00 0.00 64 V 7.68 3.86 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 0.81 0.00 0.00 0.93 0.00 0.00 *65 Y 7.81 4.66 0.00 2.28 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 0.00 0.00 0.00 0.00 66 N 8.80 4.42 0.00 2.73 2.72 0.00 0.00 7.02 7.67 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 67 V 7.27 3.26 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 0.84 0.00 0.00 0.93 0.00 0.00 68 T 7.94 4.38 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 69 K 8.13 3.98 0.00 1.76 1.80 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.06 7.81 70 S 8.15 4.43 0.00 3.60 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 71 S 8.45 3.77 0.00 3.79 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 72 V 7.77 3.81 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 0.86 0.00 0.00 0.93 0.00 0.00 73 G 8.44 4.17 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 0.00 74 V 8.56 4.55 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 0.74 0.00 0.00 0.93 0.00 0.00 75 I 8.29 5.10 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 1.27 1.26 0.91 0.00 0.00 76 I 10.14 4.37 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 1.27 0.83 0.91 0.00 0.00 77 N 9.27 5.13 0.00 2.90 2.92 0.00 0.00 6.75 7.44 0.00 0.00 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 K 8.47 4.39 0.00 1.71 1.65 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.20 0.93 7.81 79 M 8.50 3.83 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 1.92 0.00 80 V 9.50 4.11 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 0.76 0.00 0.00 0.93 0.00 0.00 81 G 10.12 3.59 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 82 N 8.60 4.51 0.00 2.94 2.81 0.00 0.00 6.45 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 83 R 7.58 4.87 0.00 1.79 1.75 0.00 3.19 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.15 0.00 *84 Y 8.20 4.16 0.00 2.20 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 0.00 0.00 0.00 85 L 7.19 3.64 0.00 1.63 1.91 0.92 0.92 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 86 E 8.68 4.59 0.00 1.75 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 2.21 1.88 0.00 87 K 8.77 4.72 0.00 1.43 1.69 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.78 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 0.99 7.81 88 R 8.61 5.01 0.00 1.54 1.68 0.00 3.17 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 89 L 8.37 4.71 0.00 1.27 1.51 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 90 N 9.05 5.49 0.00 2.50 2.69 0.00 0.00 6.88 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 91 L 8.36 4.60 0.00 1.33 1.59 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.31 5.06 0.00 1.45 1.78 0.00 3.24 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.16 0.00 93 V 8.71 3.65 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 0.82 0.00 0.00 0.93 0.00 0.00 94 E 8.15 4.45 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.86 0.00 *95 H 8.42 4.52 0.00 2.84 3.09 0.00 7.16 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.56 4.68 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 1.20 1.13 0.91 0.00 0.00 97 K 8.52 4.74 0.00 1.36 1.63 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.27 7.81 *98 H 9.23 4.82 0.00 2.69 2.14 0.00 7.30 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.08 4.82 0.00 3.69 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 0.00 100 K 7.86 4.73 0.00 1.62 1.73 0.00 1.75 0.00 0.00 1.85 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 0.95 7.81 101 C 8.24 4.62 0.00 2.75 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 0.00 102 R 7.56 4.43 0.00 1.83 1.84 0.00 3.20 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 103 Q 8.73 4.69 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.71 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 104 E 8.40 4.15 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 2.32 1.96 0.00 *105 F 8.28 4.32 0.00 2.28 2.34 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 0.00 106 L 8.72 4.53 0.00 1.60 1.69 0.92 1.15 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 0.00 107 E 8.13 4.24 0.00 1.96 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 2.32 1.95 0.00 108 R 9.08 3.91 0.00 1.75 1.87 0.00 3.27 0.00 0.00 3.20 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 109 V 8.40 3.85 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 0.70 0.00 0.00 0.93 0.00 0.00 110 K 9.10 4.05 0.00 1.73 1.58 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.35 7.81 111 A 5.80 4.09 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 0.00 112 N 8.48 4.24 0.00 2.76 2.79 0.00 0.00 7.03 7.16 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 0.00 113 A 8.09 4.16 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.12 4.33 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 0.00 115 K 8.13 4.08 0.00 1.80 1.82 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.32 7.81 116 R 8.32 4.28 0.00 1.79 1.97 0.00 3.22 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 117 A 7.77 4.61 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 0.00 118 E 8.15 4.19 0.00 2.07 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 2.27 2.22 0.00 119 A 8.07 4.38 1.31 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 0.00 120 K 7.39 4.09 0.00 1.99 1.74 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.32 7.81 121 A 8.85 4.36 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 * Residues marked with a * may have inaccurate shift predictions.