NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4326 0.0000 0.0000 62.3636 32.7654 176.4342 6 T 3.9223 9.1937 111.8245 61.3379 70.6134 174.1626 7 I 3.7042 8.3489 122.2078 64.3681 37.5404 179.2953 8 N 4.2846 8.1391 117.4842 56.9041 38.7812 176.7073 9 Q 4.0279 8.5549 119.7018 59.0372 28.7359 178.8281 10 L 4.0391 8.0420 120.0382 57.7472 41.3757 179.8154 11 V 3.6099 8.0357 117.8827 66.0213 31.5450 178.0834 12 R 4.1155 8.3131 117.4216 58.2811 30.0370 177.5721 13 K 4.3385 8.5458 115.3849 54.5421 34.3798 177.5004 14 G 3.8573 7.9796 108.5045 45.1362 0.0000 172.7321 15 R 4.3956 8.1583 117.1062 54.7433 31.7463 175.4973 16 E 4.4961 8.3166 119.5889 54.1538 30.9943 175.4151 17 K 4.1288 8.6444 126.5894 56.0932 32.3095 176.4638 18 V 4.1684 8.1939 124.2567 61.3950 32.7437 175.5785 19 R 4.4778 8.3111 125.5591 55.1234 31.5957 175.6330 20 K 4.6054 8.1553 118.6073 54.6693 34.1825 176.5893 21 K 4.3290 8.2512 121.4928 55.3613 33.1495 177.0205 22 S 4.2092 8.4353 117.2107 58.5835 62.8557 173.9648 23 K 4.4002 8.4470 124.9121 56.5480 32.3291 177.9761 24 V 4.4800 7.4346 118.9954 61.3109 32.1850 173.2387 25 P 4.4710 0.0000 0.0000 61.4455 29.7783 176.8754 26 A 4.3616 7.4879 129.1755 54.0443 20.6479 179.3478 27 L 3.3578 7.2043 130.2969 56.1608 43.7786 176.6150 28 K 4.1106 8.6845 119.6674 56.8713 32.3241 174.9201 29 G 3.9223 12.0000 104.6405 46.6307 0.0000 174.2594 30 A 4.2313 7.4377 121.5271 50.7260 19.0570 178.0918 31 P 4.1525 0.0000 0.0000 65.0951 31.6861 176.0533 32 F 5.1235 7.3189 112.9671 56.3259 43.6774 173.7977 33 R 4.7321 8.9365 119.2333 55.1794 33.8072 174.0628 34 R 4.8549 8.6301 125.4324 55.9397 32.5856 174.8129 35 G 4.2332 8.2613 109.1835 46.0960 0.0000 172.0036 36 V 4.9591 8.0349 119.0712 60.8707 34.7903 174.4605 37 C 4.6400 8.6498 125.0290 60.4063 27.8525 173.7634 38 T 4.2075 9.4298 122.8227 65.8464 69.1008 175.7333 39 V 4.4228 7.5525 119.2233 61.3342 35.4962 173.9295 40 V 4.5454 8.4891 126.6105 61.6263 32.4382 174.5023 41 R 4.7243 8.3212 128.2008 54.8580 33.2980 174.9222 42 T 4.8530 8.2681 112.4968 61.1647 70.8604 173.8777 43 V 4.7021 9.2416 126.4100 61.4839 35.6512 173.7012 44 T 5.0713 8.2965 115.9178 59.1852 70.3195 172.8149 45 P 4.8366 0.0000 0.0000 62.2673 32.8218 175.3272 46 K 3.8273 8.3900 119.6940 57.9454 34.3954 180.9447 47 K 3.7360 8.7463 118.2495 55.8308 35.2778 173.4232 48 P 4.2994 0.0000 0.0000 65.5749 31.7394 177.0058 49 N 4.8699 7.9952 114.5693 51.7746 40.2822 174.2964 50 S 4.4536 7.7656 112.9232 56.3618 65.2724 173.2293 51 A 4.3630 7.8255 130.2446 52.7091 21.0534 175.6092 52 L 4.8672 7.9295 120.0695 52.8253 39.8852 176.5760 53 R 4.0822 8.4484 121.4478 56.9483 31.9855 175.6324 54 K 4.6377 8.7473 125.3755 55.5008 33.6678 175.8193 55 V 4.9835 8.3825 124.0012 60.9902 35.6532 173.9233 56 A 5.0699 8.9983 125.1865 50.0178 22.9399 175.0028 57 K 4.5569 9.1981 123.1462 55.1234 33.8162 175.2872 58 V 4.8189 9.0114 128.3506 61.0985 34.5085 174.3605 59 R 4.7900 8.7962 128.7197 54.9369 31.0582 175.4896 60 L 4.9164 9.9880 127.7518 54.4320 42.6688 178.8139 61 T 4.0035 8.5864 111.9607 64.1488 68.9329 175.5045 62 S 4.3785 8.0549 115.4536 58.3604 63.1055 175.0133 63 G 3.9767 8.2199 109.0095 46.0129 0.0000 173.2205 64 Y 4.5652 7.4862 117.2139 56.5979 40.6274 174.6635 65 E 5.5036 8.6560 121.7086 53.6164 31.1750 174.8189 66 V 4.7603 8.1572 118.9215 59.2555 35.7935 174.5004 67 T 4.9681 8.5356 112.3044 60.9554 70.1882 173.9164 68 A 5.1445 9.4174 126.0408 50.2415 22.8894 174.7530 69 Y 4.4963 9.3335 122.1510 57.6852 40.4032 174.6480 70 I 4.5546 6.7551 126.7003 58.0949 36.6974 173.7991 71 P 4.3760 0.0000 0.0000 63.3467 32.0660 178.0674 72 G 4.0572 8.8298 103.5521 45.7506 0.0000 173.8097 73 E 4.1626 8.5000 118.9987 59.1883 30.6854 179.7655 74 G 4.0593 7.4151 103.6898 45.6266 0.0000 175.0177 75 H 4.4358 9.6109 125.4527 56.3591 30.3314 174.6463 76 N 5.0674 8.5266 125.2112 52.0697 37.2610 174.0905 77 L 4.7284 7.9583 116.7757 54.0876 44.2463 176.2991 78 Q 4.6679 9.5846 121.4427 53.6278 32.5135 175.9699 79 E 4.0401 8.7389 116.1197 58.4600 29.3070 176.9161 80 H 4.8917 8.5104 110.4292 56.2904 32.9890 173.6857 81 S 4.3552 8.0982 116.7790 58.8934 63.7521 173.4951 82 V 4.5341 9.2977 126.3642 62.4536 32.8371 175.2258 83 V 5.1506 9.0023 126.2060 60.7314 35.7200 172.6090 84 L 5.2318 8.5357 122.8047 53.7046 43.8402 175.2103 85 I 5.0027 9.4199 128.5693 60.5137 38.8310 176.4252 86 R 4.5510 8.9958 118.9306 54.7611 31.1977 174.2525 87 G 3.9017 8.2986 111.5257 44.5437 0.0000 171.4367 88 G 3.5468 7.4686 116.4506 44.5009 0.0000 173.0475 89 R 4.1945 7.7979 124.3005 54.7282 31.6417 175.5997 90 V 4.0850 7.9402 117.1278 60.7669 32.5056 175.7183 91 K 3.7327 8.7611 129.6410 59.6140 32.0259 177.1929 92 D 4.4950 7.9859 117.2354 55.3614 41.4564 175.3174 93 L 4.7682 7.6637 120.2126 51.3886 41.2097 172.9382 94 P 4.3647 0.0000 0.0000 64.2618 31.8546 176.4512 95 G 3.9365 9.1112 110.6497 45.1213 0.0000 173.3503 96 V 4.1101 8.1546 120.3278 61.9510 31.3862 175.9824 97 R 4.3937 8.5134 125.1085 55.9032 31.5418 174.8468 98 Y 5.3525 7.6225 114.9762 56.5721 42.9123 173.6339 99 H 5.4520 9.0049 117.4675 54.2108 32.3019 173.2794 100 I 4.6322 8.7842 123.5870 60.6784 38.1193 175.7690 101 V 3.9136 8.5445 127.8583 62.3994 31.8171 175.9829 102 R 4.1541 8.5797 127.4490 57.1346 30.8443 176.8926 103 G 3.9558 9.3060 110.4101 45.0359 0.0000 173.3949 104 V 4.1870 7.0090 118.9585 61.8709 34.9864 174.3633 105 Y 3.8745 8.2370 123.0082 59.9016 35.4865 170.7262 106 D 4.4810 9.4556 127.5902 55.8852 41.0963 176.2285 107 A 4.3391 7.8246 124.3669 50.3665 18.1475 177.0141 108 A 4.3310 8.7604 125.5544 52.8682 19.0925 177.6738 109 G 4.4468 8.2910 108.1802 45.2981 0.0000 173.6221 110 V 3.8363 8.5346 122.9584 62.6974 32.0476 175.8689 111 K 4.1676 8.7094 129.4557 57.3102 33.4139 177.2244 112 D 4.7033 9.0003 123.9145 54.3400 38.6270 174.3159 113 R 3.9849 7.4447 119.2637 56.3829 30.2890 176.1912 114 K 4.6269 8.6050 122.3862 55.7903 35.6152 176.5689 115 K 4.1441 8.2477 118.0584 57.2367 31.5787 178.8736 116 S 4.7131 9.2137 120.8339 59.7538 63.4018 177.1040 117 R 3.9705 9.0979 123.8389 59.5917 30.0482 179.3312 118 S 4.1578 8.1103 111.0202 60.6159 63.2286 174.6509 119 K 4.1408 8.2748 120.5011 56.5037 33.0043 177.4507 120 Y 3.7141 8.0699 116.3369 57.6283 36.4872 169.1638 121 G 3.9134 7.4691 106.9912 46.6456 0.0000 171.7650 122 T 4.7402 8.3087 113.6863 61.5611 71.4613 175.0056 123 K 4.1493 8.5307 125.8838 55.8163 32.8083 176.5969 124 K 4.1416 8.3527 122.6032 55.4855 32.5850 175.0227 125 P 4.5409 0.0000 0.0000 61.6317 32.3357 176.0840 126 K 4.0712 8.5534 120.4477 56.8391 33.0249 175.8622 127 E 4.5575 8.3793 121.0127 54.4393 31.4273 174.8885 128 A 4.1787 8.0737 123.6496 51.7220 22.0491 175.8027 *129 A 4.1172 8.4979 120.5742 52.7641 18.9464 176.7434 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 4.43 0.00 2.19 2.12 0.00 3.74 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 9.19 3.92 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 1.26 0.00 0.00 7 I 8.35 3.70 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 0.76 0.91 0.00 0.00 8 N 8.14 4.28 0.00 2.83 2.81 0.00 0.00 7.21 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 8.55 4.03 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 10 L 8.04 4.04 0.00 1.86 1.72 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.04 3.61 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 0.83 0.00 0.00 0.96 0.00 0.00 12 R 8.31 4.12 0.00 1.90 1.97 0.00 3.15 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 13 K 8.55 4.34 0.00 1.64 1.80 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.33 7.81 14 G 7.98 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 0.00 0.00 0.00 15 R 8.16 4.40 0.00 1.80 1.87 0.00 3.32 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 16 E 8.32 4.50 0.00 1.89 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 2.18 2.28 0.00 17 K 8.64 4.13 0.00 1.79 1.75 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.42 7.81 18 V 8.19 4.17 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 0.99 0.00 0.00 19 R 8.31 4.48 0.00 1.84 1.83 0.00 3.23 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 20 K 8.16 4.61 0.00 1.71 1.70 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.36 7.81 21 K 8.25 4.33 0.00 1.72 1.73 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.49 7.81 22 S 8.44 4.21 0.00 3.82 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 23 K 8.45 4.40 0.00 1.70 1.72 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.37 7.81 24 V 7.43 4.48 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 0.92 0.00 0.00 0.77 0.00 0.00 25 P 0.00 4.47 0.00 2.06 1.97 0.00 3.85 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 2.12 2.11 0.00 26 A 7.49 4.36 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 27 L 7.20 3.36 0.00 1.66 0.71 1.02 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.68 4.11 0.00 1.76 1.77 0.00 1.99 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.50 7.81 29 G 12.00 3.92 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 0.00 0.00 0.00 30 A 7.44 4.23 1.34 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 0.00 0.00 31 P 0.00 4.15 0.00 1.59 2.02 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.06 0.00 32 F 7.32 5.12 0.00 2.89 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 33 R 8.94 4.73 0.00 1.88 1.66 0.00 3.16 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 34 R 8.63 4.85 0.00 2.11 1.81 0.00 2.75 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 35 G 8.26 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 0.00 0.00 0.00 0.00 36 V 8.03 4.96 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 1.13 0.00 0.00 0.91 0.00 0.00 37 C 8.65 4.64 0.00 3.05 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 38 T 9.43 4.21 4.38 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 1.25 0.00 0.00 39 V 7.55 4.42 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 0.93 0.00 0.00 40 V 8.49 4.55 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 0.95 0.00 0.00 0.92 0.00 0.00 41 R 8.32 4.72 0.00 1.84 1.89 0.00 3.14 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 42 T 8.27 4.85 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 1.23 0.00 0.00 43 V 9.24 4.70 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 0.96 0.00 0.00 0.97 0.00 0.00 44 T 8.30 5.07 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 1.23 0.00 0.00 45 P 0.00 4.84 0.00 1.96 2.18 0.00 3.67 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 46 K 8.39 3.83 0.00 1.80 1.92 0.00 1.30 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.36 7.81 47 K 8.75 3.74 0.00 1.79 2.01 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.37 1.50 7.81 48 P 0.00 4.30 0.00 2.21 2.20 0.00 3.90 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 2.07 2.02 0.00 49 N 8.00 4.87 0.00 2.76 2.79 0.00 0.00 6.76 8.21 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 50 S 7.77 4.45 0.00 3.78 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 51 A 7.83 4.36 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 52 L 7.93 4.87 0.00 1.55 1.65 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.45 4.08 0.00 2.13 1.97 0.00 3.10 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 54 K 8.75 4.64 0.00 1.60 1.59 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.52 1.51 7.81 55 V 8.38 4.98 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 1.07 0.00 0.00 1.09 0.00 0.00 56 A 9.00 5.07 1.18 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 57 K 9.20 4.56 0.00 1.86 1.80 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.51 7.81 58 V 9.01 4.82 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 0.95 0.00 0.00 0.95 0.00 0.00 59 R 8.80 4.79 0.00 1.92 1.81 0.00 3.14 0.00 0.00 3.17 7.13 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 9.99 4.92 0.00 1.91 1.66 0.91 0.48 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 61 T 8.59 4.00 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 1.24 0.00 0.00 62 S 8.05 4.38 0.00 3.97 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 63 G 8.22 3.98 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 0.00 0.00 0.00 64 Y 7.49 4.57 0.00 2.64 2.84 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 65 E 8.66 5.50 0.00 1.93 1.83 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 2.19 2.31 0.00 66 V 8.16 4.76 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 0.81 0.00 0.00 0.65 0.00 0.00 67 T 8.54 4.97 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 1.27 0.00 0.00 68 A 9.42 5.14 1.29 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 0.00 0.00 69 Y 9.33 4.50 0.00 2.90 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 6.76 4.55 1.56 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.58 0.64 0.00 0.00 71 P 0.00 4.38 0.00 2.50 2.41 0.00 3.74 0.00 0.00 3.72 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 72 G 8.83 4.06 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 0.00 0.00 0.00 73 E 8.50 4.16 0.00 1.91 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 2.29 2.27 0.00 74 G 7.42 4.06 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 0.00 0.00 0.00 75 H 9.61 4.44 0.00 3.11 3.60 0.00 5.70 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.53 5.07 0.00 2.81 2.79 0.00 0.00 6.17 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 7.96 4.73 0.00 1.75 1.65 0.83 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 9.58 4.67 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 79 E 8.74 4.04 0.00 1.90 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 2.16 2.42 0.00 80 H 8.51 4.89 0.00 3.01 3.22 0.00 5.72 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 81 S 8.10 4.36 0.00 3.80 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 82 V 9.30 4.53 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 0.71 0.00 0.00 0.85 0.00 0.00 83 V 9.00 5.15 2.17 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 0.67 0.00 0.00 0.99 0.00 0.00 84 L 8.54 5.23 0.00 1.40 1.37 0.97 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.42 5.00 1.95 0.00 0.00 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 1.31 0.45 0.89 0.00 0.00 86 R 9.00 4.55 0.00 1.93 2.36 0.00 3.18 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.62 0.00 87 G 8.30 3.90 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 0.00 0.00 0.00 88 G 7.47 3.55 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 0.00 0.00 0.00 89 R 7.80 4.19 0.00 2.05 1.84 0.00 2.96 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 90 V 7.94 4.09 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 0.68 0.00 0.00 0.53 0.00 0.00 91 K 8.76 3.73 0.00 1.70 1.82 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 92 D 7.99 4.50 0.00 2.75 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 93 L 7.66 4.77 0.00 1.63 1.60 0.97 1.13 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 94 P 0.00 4.36 0.00 2.04 2.01 0.00 3.63 0.00 0.00 3.72 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 95 G 9.11 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 96 V 8.15 4.11 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 1.07 0.00 0.00 0.98 0.00 0.00 97 R 8.51 4.39 0.00 1.11 1.35 0.00 3.12 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 98 Y 7.62 5.35 0.00 2.95 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 99 H 9.00 5.45 0.00 3.17 3.28 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 8.78 4.63 1.99 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 0.53 0.92 0.00 0.00 101 V 8.54 3.91 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 0.60 0.00 0.00 1.01 0.00 0.00 102 R 8.58 4.15 0.00 1.87 2.03 0.00 3.43 0.00 0.00 3.40 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 103 G 9.31 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 0.00 104 V 7.01 4.19 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 0.03 0.00 0.00 0.66 0.00 0.00 105 Y 8.24 3.87 0.00 3.16 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 0.00 106 D 9.46 4.48 0.00 2.91 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 0.00 107 A 7.82 4.34 1.34 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 0.00 0.00 108 A 8.76 4.33 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 0.00 109 G 8.29 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 0.00 110 V 8.53 3.84 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 0.66 0.00 0.00 0.99 0.00 0.00 111 K 8.71 4.17 0.00 1.93 1.64 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.53 7.81 112 D 9.00 4.70 0.00 2.87 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 0.00 113 R 7.44 3.98 0.00 2.06 1.85 0.00 3.33 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 114 K 8.61 4.63 0.00 1.73 1.78 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.61 7.81 115 K 8.25 4.14 0.00 1.81 1.57 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.43 7.81 116 S 9.21 4.71 0.00 4.17 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 0.00 117 R 9.10 3.97 0.00 1.83 2.25 0.00 3.31 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 118 S 8.11 4.16 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 0.00 119 K 8.27 4.14 0.00 1.55 1.17 0.00 1.74 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.35 7.81 120 Y 8.07 3.71 0.00 3.32 3.12 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 0.00 121 G 7.47 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 0.00 0.00 0.00 122 T 8.31 4.74 4.29 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 1.36 0.00 0.00 123 K 8.53 4.15 0.00 1.75 1.75 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.43 7.81 124 K 8.35 4.14 0.00 1.72 1.72 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.43 7.81 125 P 0.00 4.54 0.00 2.22 2.03 0.00 3.83 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 126 K 8.55 4.07 0.00 1.86 1.87 0.00 1.42 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.49 7.81 127 E 8.38 4.56 0.00 2.07 1.96 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 2.17 2.26 0.00 128 A 8.07 4.18 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 *129 A 8.50 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.