NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3507 0.0000 0.0000 62.4064 32.6625 176.0906 6 T 3.8018 8.4338 113.5248 61.2232 69.0406 173.3484 7 I 3.6099 8.6328 122.8889 64.7766 38.2509 179.3339 8 N 4.0289 8.2923 116.9567 56.5533 38.5932 175.9605 9 Q 4.2774 7.9590 118.4245 57.4835 28.8673 178.0429 10 L 4.0030 8.8749 121.5504 57.6905 41.6955 179.1539 11 V 3.4108 7.7828 116.1885 66.0657 31.3857 177.9248 12 R 4.0616 7.4794 115.8268 58.8756 30.1582 177.8008 13 K 4.2830 7.9928 114.5843 54.8435 33.9819 177.2734 14 G 3.8903 8.7418 110.4674 44.6786 0.0000 173.0559 15 R 4.1750 8.1450 116.8615 55.3926 30.8548 176.1369 16 E 4.2273 8.4751 122.5097 54.8817 30.2182 176.2483 17 K 4.2701 8.3679 127.3668 55.6161 32.9016 175.9102 18 V 3.5170 7.6833 115.9669 58.5644 31.5566 172.7829 19 R 3.9611 8.4436 129.7558 55.7118 31.8851 175.8628 20 K 4.5657 8.2336 122.2461 54.9977 35.4156 176.1337 21 K 4.1423 8.5485 121.9356 56.5031 32.8669 175.5192 22 S 4.6068 8.2738 113.9080 56.5970 62.9795 174.5049 23 K 3.9806 8.5831 128.9214 58.2283 32.1108 176.7498 24 V 3.8867 7.2649 118.1064 62.3667 33.7604 172.4852 25 P 4.6362 0.0000 0.0000 62.0435 30.4216 176.8512 26 A 4.1030 7.7599 116.7763 53.0059 18.9181 178.2252 27 L 3.4719 6.9972 118.3714 55.0208 41.7465 175.8790 28 K 4.2234 9.0709 117.3241 61.7194 28.5361 175.5485 29 G 3.8542 7.6847 102.7480 46.3619 0.0000 173.8123 30 A 4.1842 8.0832 124.0428 50.6429 18.6590 175.8683 31 P 4.0080 0.0000 0.0000 62.7800 31.9116 179.4623 32 F 5.3716 6.8466 123.0920 57.9131 43.0036 174.0700 33 R 4.3780 8.1972 114.7076 56.1298 34.1070 174.9932 34 R 4.5649 8.4641 127.2979 57.2062 31.7436 175.1067 35 G 4.1847 8.7394 108.6185 45.3322 0.0000 172.2527 36 V 4.5964 8.1623 122.1806 61.2159 33.1620 175.0070 37 C 4.6393 8.6630 126.3741 60.8025 28.3174 174.1422 38 T 4.4781 8.9379 118.7709 61.5935 68.8591 174.5744 39 V 4.3508 7.5330 120.4799 61.5952 35.0464 173.6046 40 V 4.4637 8.0701 127.3417 61.4433 29.0775 174.5140 41 R 4.3735 8.0343 124.1781 55.8316 32.7535 174.5618 42 T 4.9425 8.2195 112.1033 60.7730 70.6841 174.0048 43 V 4.5712 8.4014 119.3046 59.8414 36.3704 174.4375 44 T 4.4361 8.4358 119.6101 60.9334 68.1103 172.9008 45 P 4.5748 0.0000 0.0000 60.9970 32.7607 177.1464 46 K 4.6191 8.2420 128.6671 56.3446 30.7712 178.2005 47 K 4.0826 8.6604 119.2726 55.3965 32.1995 175.2870 48 P 4.1949 0.0000 0.0000 65.2896 31.9454 176.7709 49 N 5.0196 7.5111 113.6297 51.3159 40.7225 173.9853 50 S 4.5890 8.6444 113.5458 55.9092 66.1634 173.8281 51 A 4.3125 7.2183 124.9619 52.7892 22.7368 174.9711 52 L 5.1006 7.8605 112.9538 52.3057 41.9810 175.4247 53 R 4.0416 8.4983 120.3994 56.4979 31.7649 175.9264 54 K 4.5240 9.1806 124.1477 56.0676 33.1100 176.2997 55 V 5.0486 8.2136 123.9184 59.8921 35.4998 174.3823 56 A 4.9664 8.8323 121.4916 50.6047 23.1811 175.0472 57 K 4.7721 9.0881 120.0714 54.9198 34.2596 175.9892 58 V 4.7602 8.2712 124.2161 61.1063 35.2344 174.5520 59 R 4.9114 8.3860 127.0917 53.6729 30.6440 175.4557 60 L 4.7374 8.3414 126.4655 54.5832 42.7964 178.4954 61 T 4.0665 8.3044 111.3934 63.5253 69.2473 174.8291 62 S 4.4989 7.7642 119.6131 60.4727 62.9520 174.5820 63 G 4.3272 7.9115 103.2431 47.4519 0.0000 172.4590 64 Y 4.5232 7.5686 118.7654 56.5527 40.1248 174.4567 65 E 5.4085 7.7967 115.0296 56.9242 30.6290 174.7161 66 V 4.6016 7.5274 118.7969 59.3570 36.2975 174.9112 67 T 4.5185 8.4403 118.4014 63.3043 69.5652 174.4330 68 A 4.9731 8.8092 126.5991 50.3182 22.8461 174.7985 69 Y 4.8040 8.6514 123.5660 57.5616 40.4033 174.1231 70 I 4.3186 7.9387 126.6474 59.1569 38.6622 174.4184 71 P 3.9806 0.0000 0.0000 61.4933 32.5665 176.2722 72 G 3.4694 7.5405 110.0409 44.7984 0.0000 172.5323 73 E 4.1492 8.4315 118.1678 56.0867 29.8059 177.8853 74 G 4.0355 9.3418 109.4271 45.5609 0.0000 171.3525 75 H 4.3790 7.5249 112.4769 55.3955 30.5516 174.2819 76 N 4.8494 8.6429 117.4903 51.7414 36.4406 174.2862 77 L 4.6880 7.5168 117.8198 53.6752 44.8509 176.7473 78 Q 4.5597 8.1042 121.1048 53.7644 30.9023 176.0641 79 E 4.2105 8.3316 116.6684 57.9756 29.3115 177.1269 80 H 5.4843 7.5736 112.8425 55.6550 28.9521 173.4208 81 S 4.6786 8.2607 115.5566 58.3023 64.5472 174.4510 82 V 4.1738 8.4440 124.4854 63.4901 33.0164 174.5743 83 V 4.7214 8.8123 124.5168 61.5506 36.1320 172.8479 84 L 4.7673 8.0742 123.6722 53.0290 45.1172 174.6337 85 I 4.8422 8.1300 126.7992 59.2387 39.2972 173.6387 86 R 4.8994 10.0167 133.1967 55.2122 30.3153 177.1609 87 G 4.3616 8.5950 96.7845 45.7590 0.0000 172.1105 88 G 4.4519 8.7737 107.4638 43.8659 0.0000 173.9322 89 R 4.8934 8.6004 120.9083 54.0182 31.1990 177.2753 90 V 4.1881 7.5507 121.3877 60.9335 30.4663 174.1202 91 K 4.1171 7.3009 126.0413 54.4818 32.7266 174.4121 92 D 4.9711 7.4092 122.3215 53.6016 43.7220 175.2231 93 L 5.0389 7.7210 116.3918 52.5563 46.6124 177.1240 94 P 4.6997 0.0000 0.0000 61.4102 31.1173 178.2793 95 G 4.0671 8.7126 109.9424 47.2822 0.0000 173.0790 96 V 4.7647 7.1391 115.5635 62.3626 32.6625 176.5991 97 R 4.0622 8.2286 118.6884 58.0781 30.6902 176.2061 98 Y 5.2654 8.2392 115.3713 56.4569 41.5229 174.0646 99 H 5.1847 8.8217 117.5989 54.2078 31.9698 174.0977 100 I 4.0010 8.1318 122.3143 61.0098 38.3824 175.9087 101 V 4.1375 8.2296 125.2359 60.8782 32.4350 175.8449 102 R 3.8288 8.4585 127.7452 57.8985 30.4213 177.2729 103 G 3.9293 9.0173 109.9244 45.2975 0.0000 173.1341 104 V 4.3405 6.7374 116.8270 61.8631 34.1629 176.6043 105 Y 3.7257 8.8911 123.5899 57.9802 36.8257 169.7203 106 D 4.2825 7.8518 115.8695 58.3053 41.3322 176.7716 107 A 4.1527 7.7847 119.5774 51.8599 18.8527 177.3792 108 A 4.1610 10.1422 125.7355 52.3177 19.8051 177.0096 109 G 4.2815 8.4644 108.8927 46.2478 0.0000 176.4016 110 V 4.3828 8.2910 126.1507 60.7550 33.9862 174.7810 111 K 4.1345 8.4696 128.1660 57.4110 32.8116 177.1699 112 D 4.7958 8.7367 121.6344 54.3871 38.7124 174.7239 113 R 4.3227 7.2775 117.9611 56.1808 30.8017 175.7863 114 K 4.7049 8.3077 118.3255 57.5926 38.0150 177.7865 115 K 4.7108 7.5741 124.5332 55.3180 30.5619 179.0754 116 S 4.1653 8.7230 123.7510 60.1890 61.6906 174.1862 117 R 4.1568 8.3336 122.6266 58.9666 30.7502 178.4206 118 S 3.9851 7.7873 110.7239 60.8507 62.5379 174.2814 119 K 4.1912 7.8278 120.5456 59.1678 31.0635 174.0222 120 Y 4.4111 9.8825 122.1060 57.7774 38.5049 171.6533 121 G 3.6169 7.5241 115.3078 46.2556 0.0000 178.9535 122 T 3.3056 8.4109 118.7022 61.6606 64.9890 171.7013 123 K 4.1745 8.2062 131.4792 55.5685 33.0435 176.8565 124 K 4.0383 8.3332 121.1634 55.3549 30.8144 174.3644 125 P 4.2094 0.0000 0.0000 62.3191 31.2954 176.2681 126 K 3.7567 8.7067 123.8820 56.6073 32.2502 176.8348 127 E 3.8769 9.1068 125.6042 57.6424 29.8252 176.5923 128 A 3.5578 7.5385 120.3512 52.8910 16.7701 176.8279 *129 A 4.1172 7.9445 127.1471 53.3576 18.9464 177.3378 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 5 P 0.00 4.35 0.00 2.19 2.14 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 6 T 8.43 3.80 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 7 I 8.63 3.61 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 1.52 0.69 0.91 0.00 0.00 8 N 8.29 4.03 0.00 2.75 2.84 0.00 0.00 7.07 7.12 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 9 Q 7.96 4.28 0.00 2.43 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 10 L 8.87 4.00 0.00 1.70 1.70 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.78 3.41 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 0.87 0.00 0.00 0.93 0.00 0.00 12 R 7.48 4.06 0.00 2.11 1.97 0.00 3.12 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 13 K 7.99 4.28 0.00 1.86 1.82 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.34 7.81 14 G 8.74 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 15 R 8.15 4.18 0.00 1.81 1.86 0.00 3.36 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 16 E 8.48 4.23 0.00 1.90 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 2.26 2.35 0.00 17 K 8.37 4.27 0.00 1.75 1.71 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.40 7.81 18 V 7.68 3.52 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 0.72 0.00 0.00 0.93 0.00 0.00 19 R 8.44 3.96 0.00 1.94 1.92 0.00 3.22 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 20 K 8.23 4.57 0.00 1.84 1.71 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.39 7.81 21 K 8.55 4.14 0.00 1.77 1.84 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.44 7.81 22 S 8.27 4.61 0.00 3.85 3.75 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 23 K 8.58 3.98 0.00 1.72 1.76 0.00 1.84 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.40 7.81 24 V 7.26 3.89 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 0.50 0.00 0.00 0.75 0.00 0.00 25 P 0.00 4.64 0.00 2.61 2.40 0.00 3.87 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.25 0.00 26 A 7.76 4.10 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 27 L 7.00 3.47 0.00 1.65 1.61 0.86 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.07 4.22 0.00 1.79 2.12 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.42 7.81 29 G 7.68 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 30 A 8.08 4.18 1.20 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 0.00 0.00 31 P 0.00 4.01 0.00 1.60 1.40 0.00 3.55 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.93 0.00 32 F 6.85 5.37 0.00 2.94 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 33 R 8.20 4.38 0.00 1.90 1.77 0.00 3.24 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 0.00 34 R 8.46 4.56 0.00 2.27 1.93 0.00 3.35 0.00 0.00 3.49 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.21 0.00 35 G 8.74 4.18 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 0.00 0.00 0.00 36 V 8.16 4.60 2.11 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 0.97 0.00 0.00 0.99 0.00 0.00 37 C 8.66 4.64 0.00 3.24 2.99 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 38 T 8.94 4.48 4.25 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 1.33 0.00 0.00 39 V 7.53 4.35 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 0.73 0.00 0.00 0.93 0.00 0.00 40 V 8.07 4.46 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 0.94 0.00 0.00 0.98 0.00 0.00 41 R 8.03 4.37 0.00 2.01 1.83 0.00 3.26 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 42 T 8.22 4.94 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 1.22 0.00 0.00 43 V 8.40 4.57 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 0.89 0.00 0.00 0.98 0.00 0.00 44 T 8.44 4.44 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 1.20 0.00 0.00 45 P 0.00 4.57 0.00 2.15 2.15 0.00 3.71 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 1.98 2.04 0.00 46 K 8.24 4.62 0.00 1.79 0.81 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.36 7.81 47 K 8.66 4.08 0.00 1.81 1.53 0.00 1.81 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.39 7.81 48 P 0.00 4.19 0.00 2.20 2.21 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 49 N 7.51 5.02 0.00 2.72 2.74 0.00 0.00 6.71 7.45 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 50 S 8.64 4.59 0.00 3.75 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.22 4.31 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 52 L 7.86 5.10 0.00 1.51 1.60 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.50 4.04 0.00 1.84 1.78 0.00 3.13 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.44 0.00 54 K 9.18 4.52 0.00 1.68 1.61 0.00 1.76 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.50 7.81 55 V 8.21 5.05 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 0.82 0.00 0.00 1.03 0.00 0.00 56 A 8.83 4.97 1.23 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 0.00 0.00 0.00 57 K 9.09 4.77 0.00 1.66 1.72 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.37 7.81 58 V 8.27 4.76 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 1.00 0.00 0.00 0.90 0.00 0.00 59 R 8.39 4.91 0.00 1.95 1.82 0.00 3.21 0.00 0.00 3.28 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 60 L 8.34 4.74 0.00 1.63 1.61 0.99 0.61 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 61 T 8.30 4.07 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 1.29 0.00 0.00 62 S 7.76 4.50 0.00 3.59 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 63 G 7.91 4.33 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 0.00 64 Y 7.57 4.52 0.00 2.95 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 65 E 7.80 5.41 0.00 1.86 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 2.24 2.19 0.00 66 V 7.53 4.60 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 0.94 0.00 0.00 0.17 0.00 0.00 67 T 8.44 4.52 4.30 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 1.24 0.00 0.00 68 A 8.81 4.97 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 69 Y 8.65 4.80 0.00 2.96 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.32 1.57 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 1.05 0.64 0.66 0.00 0.00 71 P 0.00 3.98 0.00 1.74 1.88 0.00 3.59 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 72 G 7.54 3.47 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 0.00 73 E 8.43 4.15 0.00 1.93 1.89 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 2.24 2.26 0.00 74 G 9.34 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 75 H 7.52 4.38 0.00 3.17 3.15 0.00 5.49 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 76 N 8.64 4.85 0.00 2.80 2.84 0.00 0.00 5.92 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 77 L 7.52 4.69 0.00 1.75 1.63 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.10 4.56 0.00 2.02 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 79 E 8.33 4.21 0.00 1.91 1.81 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 2.47 2.23 0.00 80 H 7.57 5.48 0.00 3.17 3.31 0.00 5.60 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.26 4.68 0.00 3.81 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 82 V 8.44 4.17 2.32 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 1.18 0.00 0.00 0.96 0.00 0.00 83 V 8.81 4.72 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 0.77 0.00 0.00 0.99 0.00 0.00 84 L 8.07 4.77 0.00 0.87 1.03 0.57 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.13 4.84 2.14 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.57 1.04 0.00 0.00 86 R 10.02 4.90 0.00 1.80 1.18 0.00 3.39 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 87 G 8.60 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 0.00 0.00 0.00 0.00 88 G 8.77 4.45 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 0.00 89 R 8.60 4.89 0.00 1.81 1.96 0.00 2.61 0.00 0.00 3.91 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.46 0.00 90 V 7.55 4.19 1.95 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 0.60 0.00 0.00 0.97 0.00 0.00 91 K 7.30 4.12 0.00 1.72 1.78 0.00 1.79 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.52 7.81 92 D 7.41 4.97 0.00 2.72 2.46 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 93 L 7.72 5.04 0.00 1.52 1.43 0.70 1.13 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 94 P 0.00 4.70 0.00 2.04 1.81 0.00 3.69 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 2.02 2.07 0.00 95 G 8.71 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 96 V 7.14 4.76 2.10 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 1.11 0.00 0.00 1.00 0.00 0.00 97 R 8.23 4.06 0.00 1.35 1.65 0.00 3.02 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 98 Y 8.24 5.27 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 99 H 8.82 5.18 0.00 3.28 3.25 0.00 5.80 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 0.00 100 I 8.13 4.00 2.01 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.44 0.81 0.00 0.00 101 V 8.23 4.14 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 0.45 0.00 0.00 0.54 0.00 0.00 102 R 8.46 3.83 0.00 1.87 1.85 0.00 3.35 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 103 G 9.02 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 0.00 104 V 6.74 4.34 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.82 0.00 0.00 105 Y 8.89 3.73 0.00 3.09 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 0.00 106 D 7.85 4.28 0.00 2.95 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 0.00 107 A 7.78 4.15 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 0.00 108 A 10.14 4.16 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 0.00 109 G 8.46 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 0.00 110 V 8.29 4.38 2.11 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 0.79 0.00 0.00 0.90 0.00 0.00 111 K 8.47 4.13 0.00 1.83 1.64 0.00 1.83 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.46 7.81 112 D 8.74 4.80 0.00 2.90 2.86 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 0.00 113 R 7.28 4.32 0.00 1.85 1.92 0.00 3.36 0.00 0.00 3.38 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 114 K 8.31 4.70 0.00 1.73 1.77 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.46 7.81 115 K 7.57 4.71 0.00 1.76 1.19 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.41 7.81 116 S 8.72 4.17 0.00 3.58 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 0.00 117 R 8.33 4.16 0.00 1.79 2.17 0.00 3.32 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 118 S 7.79 3.99 0.00 3.80 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 0.00 119 K 7.83 4.19 0.00 1.32 1.39 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.31 7.81 120 Y 9.88 4.41 0.00 2.94 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 0.00 121 G 7.52 3.62 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 0.00 0.00 0.00 122 T 8.41 3.31 4.52 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 1.33 0.00 0.00 123 K 8.21 4.17 0.00 1.79 1.78 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.43 7.81 124 K 8.33 4.04 0.00 1.70 1.77 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.49 7.81 125 P 0.00 4.21 0.00 2.22 2.09 0.00 3.87 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 1.99 1.96 0.00 126 K 8.71 3.76 0.00 1.85 1.78 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.68 7.81 127 E 9.11 3.88 0.00 1.99 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 2.33 2.34 0.00 128 A 7.54 3.56 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 *129 A 7.94 4.12 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 * Residues marked with a * may have inaccurate shift predictions.