NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.4302 8.2798 120.2308 61.7209 32.6861 174.4160 3 Q 4.4266 8.5664 122.9312 53.7545 32.2945 172.3315 4 L 4.9724 8.7598 121.4348 53.3144 44.2368 177.1391 5 V 4.3307 9.4280 124.7706 61.1779 33.5849 174.3004 6 E 5.0543 8.8520 127.7596 56.0988 30.8812 175.9384 7 S 4.6788 9.0809 118.5358 57.4802 67.9888 174.6703 8 G 3.8245 9.1265 111.0737 44.4471 0.0000 171.1660 9 G 3.5167 8.8255 103.8333 43.8640 0.0000 172.2538 10 G 3.7182 7.3915 104.3752 43.8985 0.0000 171.7182 11 S 5.3887 8.3416 115.2596 56.6591 64.9976 173.8943 12 V 4.5617 9.1646 123.0616 59.7686 35.4659 173.9172 13 Q 4.8452 8.4224 121.3422 54.2517 30.7936 174.4878 14 A 4.2165 8.6443 128.3381 54.2470 18.7980 178.1742 15 G 3.9428 9.2355 111.2877 45.1561 0.0000 173.9507 16 G 3.9280 7.9154 107.3238 45.8942 0.0000 172.2654 17 S 5.3091 7.8351 114.2516 56.3923 65.5208 172.5096 18 L 4.2144 7.5444 119.2633 54.2684 45.9709 173.0976 19 R 4.5433 8.4580 125.2932 54.2733 32.0061 174.6252 20 L 4.2863 7.8523 126.6885 54.5515 43.1113 176.3365 21 S 5.2944 9.0428 115.7726 57.0160 66.5203 171.8221 22 C 5.5640 9.4852 123.8500 55.4737 45.8855 172.8149 23 T 5.3090 9.3942 120.7914 60.8083 72.3703 172.5594 24 A 5.1369 8.5165 128.2980 50.9321 20.3852 176.0751 25 S 4.4584 9.1471 117.1671 55.9940 66.3912 172.6458 26 G 3.7617 8.7347 107.7657 46.8611 0.0000 171.7489 27 G 4.4877 7.9572 115.7929 45.8171 0.0000 173.7741 28 S 4.4397 8.4933 118.5219 58.3993 64.1564 173.8494 *31 S 4.3131 7.9957 113.8462 58.2049 63.4123 173.8761 32 Y 4.0409 8.6210 126.7737 60.7145 38.4454 177.8155 33 S 4.2963 8.3389 113.4138 60.7379 62.9975 175.5302 34 T 4.0385 7.8703 116.5883 64.7116 68.7211 173.9946 35 F 5.0434 8.4617 120.3846 55.7865 41.5889 175.1804 36 S 4.8162 8.6056 117.0452 56.8257 65.2820 173.4077 37 L 5.2035 8.7584 123.9292 53.3917 45.0035 175.6754 38 G 4.3994 8.3906 106.5581 45.0299 0.0000 171.7691 39 W 5.1761 9.6161 123.3059 54.9880 31.5948 175.5881 40 F 5.5009 9.5693 122.6507 55.9612 42.7838 173.8964 41 R 5.1176 9.0164 115.1552 55.7820 33.5760 174.2661 42 Q 4.7248 8.6988 119.4784 55.6015 32.3404 173.8153 43 A 4.8109 8.6168 129.7025 49.9372 20.5431 174.1546 44 P 4.4288 0.0000 0.0000 64.4076 31.6514 175.8500 45 G 4.4115 9.1107 118.2305 46.1256 0.0000 173.9962 46 Q 4.1791 6.9931 118.2579 54.8984 29.2616 176.0793 47 E 4.2831 8.3168 119.9799 55.6516 30.6378 176.1132 48 R 4.6407 8.3584 120.9085 56.1479 30.6580 175.3368 49 E 4.9338 9.0721 124.1228 54.4880 32.9149 174.9282 50 A 3.6626 8.3072 121.7561 51.5249 19.6351 176.4556 51 V 4.2700 8.5142 118.3805 63.9662 33.9904 175.2518 52 A 5.1645 7.7011 119.7658 50.7691 22.7771 174.2877 53 A 5.2276 9.0653 121.2026 50.5869 23.9247 175.3618 54 I 5.0388 9.3935 119.2090 59.7693 41.0238 174.6183 55 A 4.8725 9.6883 132.2735 51.2549 19.8065 177.1942 56 S 4.3995 8.3726 113.4492 58.5814 66.1325 174.3798 57 M 3.6277 8.1396 119.1627 54.4519 29.9188 177.8087 58 G 4.1015 8.1042 117.4414 46.1423 0.0000 175.0059 59 G 4.2365 7.3534 108.7051 44.9273 0.0000 173.3982 60 L 4.2138 8.3517 120.3226 54.9126 42.4566 176.2521 61 T 5.1367 8.3276 113.5979 60.1876 71.6277 173.2270 62 Y 4.8085 8.4796 119.9464 56.6100 42.2788 173.9903 63 Y 5.3117 8.6368 118.7984 55.8842 42.1591 175.2316 64 A 4.1768 9.3665 124.5523 52.0945 19.7839 178.6532 65 D 4.2816 8.9244 119.9449 57.5719 41.0430 179.5283 66 S 4.1563 8.0609 111.4074 60.4504 63.0186 175.0243 67 V 3.7864 7.2801 112.2523 60.3031 32.6993 175.4827 68 K 3.8551 7.5228 121.9904 57.7745 32.5920 174.9713 69 G 4.2781 8.7224 118.1714 46.3881 0.0000 175.1102 70 R 4.1010 7.8197 118.7953 58.7781 30.5975 176.7220 71 F 4.8241 8.0474 116.0040 58.1295 40.1589 175.8212 72 T 4.6777 8.7332 118.5471 62.1274 71.1912 172.5326 73 I 4.8075 9.1349 126.8878 60.8814 39.1626 174.6571 74 S 4.9787 9.1713 122.3538 57.6121 66.9948 172.4906 75 R 5.2350 8.3997 114.9217 55.0383 32.7812 174.6109 76 D 4.7239 9.0679 119.6897 52.5134 42.5988 175.8071 77 N 4.7470 9.0105 124.2142 55.8354 39.1508 177.8463 78 A 4.0202 8.2304 120.5865 54.7186 18.5606 178.1612 79 K 4.1848 8.1490 112.1254 55.4961 32.8954 176.2654 80 N 3.1400 7.1932 115.3421 54.1789 36.6237 173.7595 81 T 5.0401 7.5160 112.8270 61.7716 73.4977 174.8950 82 V 5.1169 8.8498 124.7445 61.5799 34.6694 174.4348 83 T 5.1990 9.2922 123.3732 61.7433 72.4865 172.4113 84 L 4.6470 8.2395 128.1953 53.2813 44.3982 174.9002 85 Q 4.2815 8.4961 128.7288 54.9010 30.4408 174.3817 86 M 3.6079 8.0807 128.2874 54.3001 32.3445 176.8855 87 N 4.2319 8.4198 121.3024 54.9759 39.5817 176.1661 88 N 4.9197 7.7886 116.9356 51.4563 37.8443 173.1387 89 L 4.5247 8.5693 122.1056 54.6070 43.2996 176.7344 90 K 4.9463 8.9025 121.9335 53.7500 35.4504 175.5836 91 P 4.5250 0.0000 0.0000 64.9643 31.4461 178.4944 92 E 4.1649 8.1226 116.0173 58.7428 29.5540 177.5866 93 D 4.6696 8.6022 118.1962 56.3419 41.2742 176.5540 94 T 4.2164 7.6923 116.0693 64.7993 69.0186 173.5347 95 A 4.3353 8.6588 127.2767 52.1390 24.6418 173.7458 96 I 4.7212 7.7439 118.1023 60.1104 39.7023 174.3098 97 Y 5.1998 9.2386 128.0176 56.9938 39.7332 174.3877 98 Y 5.1780 9.2949 122.1675 56.7958 40.8208 174.1791 99 C 4.2384 8.9152 121.7300 55.3600 40.9330 171.9455 100 A 4.7165 7.5943 123.5041 50.8939 22.6525 174.8733 101 A 5.5148 8.7313 120.0098 51.2904 23.6140 175.6970 102 V 4.5281 8.5774 117.2644 60.7449 35.1785 173.5347 103 R 3.5931 8.4040 124.5494 55.8604 29.3334 175.8906 104 G 3.8495 6.7171 113.0811 46.0609 0.0000 169.2583 105 Y 4.4727 8.0251 119.8352 55.8854 41.9749 174.9984 106 F 4.6271 6.4211 118.5208 55.8764 40.8764 173.4863 107 M 4.9940 8.1037 118.3722 53.4799 32.6736 175.6372 108 R 3.6298 6.6011 112.3345 54.6121 31.7541 173.9144 109 L 3.6719 8.0274 120.3519 54.3678 41.5223 175.0696 110 P 4.1921 0.0000 0.0000 61.8905 32.3573 174.7625 111 S 4.9926 7.9770 112.3302 56.5890 66.2141 174.4558 112 S 4.1462 9.2895 114.1961 62.1751 61.8407 175.4759 113 H 4.7304 8.1194 111.4945 56.5123 28.4585 175.2821 114 N 4.5048 8.2809 117.4182 53.8805 38.8674 174.8442 115 F 4.7035 7.7651 117.5593 55.6733 41.2897 175.0969 116 R 4.2574 8.4566 124.0585 57.7788 31.2993 175.8012 117 Y 5.1919 7.6940 115.7359 56.4251 40.5096 175.1501 118 W 5.5065 8.7890 120.5175 55.2169 33.6645 175.2832 119 G 4.1294 9.0530 110.7741 45.7665 0.0000 173.4965 120 Q 4.4535 8.8739 117.0791 56.0289 29.2687 176.8817 121 G 3.7100 10.6000 104.6794 45.4124 0.0000 173.3522 122 T 4.5248 7.9564 114.4507 62.1438 73.5317 173.3543 123 Q 4.3841 8.8621 128.7213 56.1733 30.6816 174.7932 124 V 4.7993 9.0109 125.7378 61.5087 34.8625 174.0109 125 T 4.9261 9.1249 124.8624 61.6690 71.6828 173.0601 126 V 5.3742 9.3867 126.7607 60.2443 34.2078 174.4788 127 S 4.8226 8.4835 121.3031 56.1341 66.7776 173.1010 128 S 4.3962 8.6384 118.1721 58.8317 63.1175 174.8356 *129 R 4.1503 8.4285 123.2636 56.5429 29.8986 174.1827 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 V 8.28 4.43 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 -0.02 0.00 0.00 0.49 0.00 0.00 3 Q 8.57 4.43 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.79 0.00 0.00 0.00 0.00 0.00 2.18 2.38 0.00 4 L 8.76 4.97 0.00 1.65 1.59 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 5 V 9.43 4.33 2.16 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 0.88 0.00 0.00 0.95 0.00 0.00 6 E 8.85 5.05 0.00 2.00 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 0.00 2.37 2.40 0.00 7 S 9.08 4.68 0.00 3.71 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 9.13 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 9 G 8.83 3.52 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 0.00 10 G 7.39 3.72 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 0.00 0.00 0.00 11 S 8.34 5.39 0.00 3.85 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 12 V 9.16 4.56 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 0.64 0.00 0.00 0.95 0.00 0.00 13 Q 8.42 4.85 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 14 A 8.64 4.22 1.28 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 15 G 9.24 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 0.00 0.00 0.00 16 G 7.92 3.93 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 0.00 0.00 0.00 17 S 7.84 5.31 0.00 3.80 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 18 L 7.54 4.21 0.00 1.55 1.15 0.77 0.85 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 19 R 8.46 4.54 0.00 1.85 1.69 0.00 3.24 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.00 20 L 7.85 4.29 0.00 0.44 0.97 0.35 0.69 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 21 S 9.04 5.29 0.00 3.89 3.71 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 22 C 9.49 5.56 0.00 2.87 2.83 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 23 T 9.39 5.31 4.21 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 1.19 0.00 0.00 24 A 8.52 5.14 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 25 S 9.15 4.46 0.00 3.76 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.73 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 0.00 0.00 0.00 27 G 7.96 4.49 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 0.00 28 S 8.49 4.44 0.00 3.85 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 *31 S 8.00 4.31 0.00 3.94 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 32 Y 8.62 4.04 0.00 2.97 2.95 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 33 S 8.34 4.30 0.00 4.06 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 34 T 7.87 4.04 4.62 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 1.03 0.00 0.00 35 F 8.46 5.04 0.00 2.50 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 36 S 8.61 4.82 0.00 3.14 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 37 L 8.76 5.20 0.00 1.66 1.51 0.82 0.75 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 38 G 8.39 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 0.00 0.00 0.00 0.00 39 W 9.62 5.18 0.00 3.40 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 40 F 9.57 5.50 0.00 3.29 3.31 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 41 R 9.02 5.12 0.00 0.93 1.03 0.00 2.41 0.00 0.00 2.83 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 42 Q 8.70 4.72 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 43 A 8.62 4.81 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 44 P 0.00 4.43 0.00 2.08 2.04 0.00 3.68 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 2.06 2.12 0.00 45 G 9.11 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 0.00 0.00 0.00 0.00 46 Q 6.99 4.18 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 47 E 8.32 4.28 0.00 1.98 1.92 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 2.31 2.30 0.00 48 R 8.36 4.64 0.00 1.81 1.84 0.00 3.23 0.00 0.00 3.02 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.12 0.00 49 E 9.07 4.93 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 2.21 2.22 0.00 50 A 8.31 3.66 0.71 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 0.00 0.00 51 V 8.51 4.27 2.47 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 1.32 0.00 0.00 0.97 0.00 0.00 52 A 7.70 5.16 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 53 A 9.07 5.23 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 54 I 9.39 5.04 1.99 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 1.26 1.58 1.07 0.00 0.00 55 A 9.69 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.37 4.40 0.00 4.11 4.10 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 57 M 8.14 3.63 0.00 2.10 1.78 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 58 G 8.10 4.10 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 0.00 0.00 0.00 59 G 7.35 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 0.00 0.00 0.00 0.00 60 L 8.35 4.21 0.00 1.85 1.62 1.15 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.33 5.14 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 1.37 0.00 0.00 62 Y 8.48 4.81 0.00 2.85 2.80 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 63 Y 8.64 5.31 0.00 2.80 2.81 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 64 A 9.37 4.18 1.26 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 65 D 8.92 4.28 0.00 2.70 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 66 S 8.06 4.16 0.00 3.90 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 67 V 7.28 3.79 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 -0.02 0.00 0.00 0.97 0.00 0.00 68 K 7.52 3.86 0.00 1.87 1.66 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.25 7.81 69 G 8.72 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 0.00 0.00 0.00 0.00 70 R 7.82 4.10 0.00 2.09 2.17 0.00 3.40 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 71 F 8.05 4.82 0.00 2.91 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 72 T 8.73 4.68 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 1.29 0.00 0.00 73 I 9.13 4.81 2.07 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.09 0.80 0.00 0.00 74 S 9.17 4.98 0.00 3.97 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 75 R 8.40 5.23 0.00 2.00 2.04 0.00 3.05 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 76 D 9.07 4.72 0.00 2.75 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 77 N 9.01 4.75 0.00 2.89 3.03 0.00 0.00 6.93 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 78 A 8.23 4.02 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.15 4.18 0.00 1.71 1.77 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.51 7.81 80 N 7.19 3.14 0.00 2.56 2.02 0.00 0.00 6.73 6.93 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 81 T 7.52 5.04 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 1.36 0.00 0.00 82 V 8.85 5.12 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 1.34 0.00 0.00 1.07 0.00 0.00 83 T 9.29 5.20 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 1.26 0.00 0.00 84 L 8.24 4.65 0.00 0.38 0.27 1.06 0.22 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 85 Q 8.50 4.28 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.62 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 86 M 8.08 3.61 0.00 1.13 1.51 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.81 0.00 87 N 8.42 4.23 0.00 2.84 2.85 0.00 0.00 6.80 7.88 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 88 N 7.79 4.92 0.00 2.72 2.75 0.00 0.00 6.98 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 89 L 8.57 4.52 0.00 1.76 1.61 0.79 0.83 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 90 K 8.90 4.95 0.00 1.74 1.83 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.62 7.81 91 P 0.00 4.52 0.00 2.19 2.15 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 92 E 8.12 4.16 0.00 1.98 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 2.34 2.29 0.00 93 D 8.60 4.67 0.00 2.92 3.07 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 94 T 7.69 4.22 4.39 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 1.29 0.00 0.00 95 A 8.66 4.34 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 96 I 7.74 4.72 1.85 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 1.16 1.01 0.00 0.00 97 Y 9.24 5.20 0.00 3.01 3.20 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 98 Y 9.29 5.18 0.00 3.35 3.29 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 0.00 99 C 8.92 4.24 0.00 2.03 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 0.00 100 A 7.59 4.72 -0.36 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 0.00 101 A 8.73 5.51 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 0.00 102 V 8.58 4.53 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 0.46 0.00 0.00 0.77 0.00 0.00 103 R 8.40 3.59 0.00 1.34 1.61 0.00 3.24 0.00 0.00 3.09 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 104 G 6.72 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 0.00 105 Y 8.03 4.47 0.00 2.69 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 0.00 106 F 6.42 4.63 0.00 2.65 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 0.00 107 M 8.10 4.99 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 108 R 6.60 3.63 0.00 1.63 1.68 0.00 2.93 0.00 0.00 3.03 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.32 0.00 109 L 8.03 3.67 0.00 1.61 1.55 0.85 0.69 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 0.00 110 P 0.00 4.19 0.00 1.86 1.28 0.00 3.37 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 111 S 7.98 4.99 0.00 4.03 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 0.00 112 S 9.29 4.15 0.00 4.07 4.10 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 0.00 113 H 8.12 4.73 0.00 3.34 3.42 0.00 5.57 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.28 4.50 0.00 2.45 2.52 0.00 0.00 6.78 8.31 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 0.00 115 F 7.77 4.70 0.00 2.61 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 0.00 116 R 8.46 4.26 0.00 1.43 0.81 0.00 2.89 0.00 0.00 2.65 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.40 0.00 117 Y 7.69 5.19 0.00 3.15 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 0.00 118 W 8.79 5.51 0.00 3.06 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 0.00 119 G 9.05 4.13 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 0.00 0.00 0.00 120 Q 8.87 4.45 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.47 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 121 G 10.60 3.71 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 0.00 0.00 0.00 122 T 7.96 4.52 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 1.26 0.00 0.00 123 Q 8.86 4.38 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 124 V 9.01 4.80 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 0.70 0.00 0.00 0.63 0.00 0.00 125 T 9.12 4.93 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 1.23 0.00 0.00 126 V 9.39 5.37 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 1.09 0.00 0.00 0.94 0.00 0.00 127 S 8.48 4.82 0.00 3.89 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 0.00 128 S 8.64 4.40 0.00 3.91 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 *129 R 8.43 4.15 0.00 1.62 1.73 0.00 3.28 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.