NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 2.5800 8.4293 116.2415 54.8747 29.6610 172.5380 *2 S 4.4100 8.3696 112.3246 58.1344 64.4733 174.1064 3 T 4.2013 7.6911 118.4336 62.4176 68.9337 172.6200 4 P 4.6440 0.0000 0.0000 62.7162 32.5214 175.6801 5 L 4.0769 8.8423 125.1251 55.3481 43.0970 175.7700 6 T 4.9274 8.8437 124.0590 62.4424 70.5832 173.8705 7 L 5.2600 9.1256 125.2746 52.9751 45.7023 175.4707 8 I 4.7348 8.7481 123.4414 59.4546 40.5324 174.1790 9 A 5.0706 8.6741 129.0504 50.6059 21.3298 175.1684 10 T 4.5387 8.9067 120.6904 62.3079 70.4905 173.8621 11 I 4.8700 8.6483 128.5033 59.6918 40.1773 174.8916 12 T 5.0587 8.7776 123.7254 61.5504 70.7212 173.8593 13 A 4.7823 9.4796 129.2034 51.3305 19.5112 177.0533 14 A 4.1213 8.8897 122.9108 51.2880 19.8033 175.7077 15 P 4.0466 0.0000 0.0000 64.6066 31.7459 177.0263 16 G 3.9994 9.3771 111.2620 46.1189 0.0000 174.0433 17 H 4.8370 8.3317 116.0462 55.5880 29.1717 176.2862 18 A 4.2274 8.0461 125.7945 55.5895 18.2331 180.3589 19 E 3.9593 8.2099 116.3410 59.3641 29.6570 179.3168 20 A 3.9663 7.9353 120.4239 55.0473 18.6014 179.2686 21 L 3.8437 8.0055 118.9050 58.1391 42.0722 178.6138 22 E 3.4001 8.0804 119.3384 59.1330 29.2929 178.6524 23 R 3.8625 7.6057 117.3128 59.6434 29.9436 178.0698 24 E 4.1779 8.0884 118.0004 59.4818 29.5242 179.3262 25 L 3.9545 8.4211 119.4028 57.8696 41.6185 179.8107 26 R 3.9812 8.3366 117.9819 59.1314 29.7194 178.9328 27 A 4.1080 7.5534 118.6579 54.8813 18.6034 179.3397 28 L 4.1732 7.9869 117.7292 57.4332 41.5354 179.8310 29 V 3.6826 7.8735 118.4504 65.9316 31.2293 177.8748 30 A 3.9532 7.9041 120.1659 54.7136 18.1457 177.7150 31 P 4.1157 0.0000 0.0000 65.9976 31.6441 178.4920 32 S 4.7386 7.6597 116.2878 60.9722 62.3647 176.7864 33 R 3.8307 7.8623 119.7145 58.9975 29.8174 178.5580 34 A 4.1222 7.4738 118.9906 53.2979 19.1582 177.8744 35 E 4.0521 7.6250 117.7069 55.8497 30.2160 176.4014 36 A 4.0760 8.6103 124.9764 54.2278 18.7835 178.3204 37 G 3.9498 8.9897 109.2571 45.7002 0.0000 172.6009 38 C 3.8542 7.8943 120.6073 58.4063 30.9398 172.8511 39 L 4.3484 8.0877 128.2166 56.2217 42.4408 177.0881 40 Q 4.4355 7.3719 117.9550 55.4272 32.5344 172.9747 41 Y 4.9689 8.3068 126.4938 57.0860 40.1483 172.3160 42 D 4.9550 8.8030 125.2632 51.9956 44.1166 174.9774 43 L 4.8448 8.4860 124.8820 54.1446 43.8490 175.0409 44 H 5.1307 9.1976 121.3161 54.2865 33.7487 171.8267 45 Q 4.9258 8.6189 121.0572 53.8588 31.3854 174.5897 46 D 4.5688 8.7793 125.9869 55.0287 41.2132 176.8979 47 R 3.9947 8.7932 124.5993 58.7037 30.4027 176.6574 48 H 4.8124 8.5968 112.7709 55.2513 30.9986 173.4163 49 D 4.7398 8.0098 118.6258 51.9314 42.9172 176.0388 50 S 4.0593 8.7109 122.0702 61.2768 63.3196 174.9651 51 H 4.4568 8.6026 117.3585 56.7360 28.8976 174.1499 52 L 4.9320 7.4560 121.0029 52.8261 43.7402 175.6537 53 F 5.1518 8.8627 121.8374 56.1637 43.5875 174.1133 54 Y 5.2728 8.4953 116.8820 55.8363 42.6070 173.4871 *56 I 4.2825 8.1992 119.3313 62.0986 38.8668 174.8918 57 E 5.0511 9.1392 126.0394 54.5364 33.8023 174.8763 58 Q 5.0829 8.5419 120.9161 53.9516 32.9378 174.4760 59 W 5.2374 9.0993 122.4671 54.7412 32.7500 176.2446 60 R 4.1399 9.1794 125.3929 59.6032 30.2808 175.6261 61 D 4.7199 7.9051 115.6994 51.3036 42.2046 175.4857 62 D 4.3265 8.7752 118.1538 57.4897 40.4731 178.8917 63 A 3.9814 7.9811 120.6421 54.9106 18.4346 179.3942 64 A 3.8776 8.3532 119.3654 55.1834 18.2964 179.5686 65 L 2.4594 7.1333 117.2105 57.8004 42.2120 178.7219 66 E 3.8820 8.2685 118.8363 59.3767 29.4005 179.4838 67 R 3.7935 7.9505 118.1886 59.5258 30.2612 178.2448 68 H 4.6796 7.6244 119.1525 58.8335 29.4333 176.5596 69 Q 2.6991 7.0569 116.9081 56.6569 28.7004 176.8081 70 N 4.7423 7.4355 116.7561 52.3226 39.5063 175.1685 71 T 4.2049 6.9662 111.6272 60.8386 70.1515 175.3835 72 E 3.9398 8.9099 123.2616 59.8014 29.5799 178.7243 73 H 4.2150 8.2470 114.6491 58.8091 28.4187 177.1104 74 F 4.0276 7.7483 123.4469 60.9297 39.1224 177.1892 75 L 4.0415 8.2368 118.5828 57.6694 41.1574 179.6124 76 R 3.9388 8.1654 117.8797 59.0384 29.9792 178.5033 77 F 4.0944 7.7462 119.6969 61.3257 39.4811 177.1749 78 S 4.2346 7.4693 113.8025 60.2976 63.2654 175.4563 79 R 4.2206 7.0615 121.0084 55.8129 29.0734 176.1800 80 G 3.9700 8.4322 109.7926 45.3133 0.0000 171.8172 81 N 4.5204 7.7753 116.1787 52.9671 39.2366 176.3398 82 E 3.7533 7.9918 120.8188 59.1275 29.7969 178.5078 83 A 4.1108 7.7477 119.7201 54.2297 18.7472 177.9955 84 L 4.1125 8.0588 115.7393 55.7891 42.1165 176.4877 85 L 5.1200 7.5541 118.8586 53.0244 43.7385 175.6486 86 Q 4.4917 8.9392 123.7387 57.5669 30.8231 175.2620 87 N 4.9750 7.7306 115.0407 52.3681 42.6662 173.4228 88 V 4.7897 8.3655 124.2391 61.0920 34.3980 174.1070 89 K 4.6732 9.1657 129.6577 54.6392 34.7465 174.6192 90 I 4.8960 8.4202 127.1788 59.7196 39.8311 174.3306 91 D 5.0196 9.2079 127.6086 52.5545 43.4285 175.2931 92 Q 5.1505 8.5208 121.8801 54.1042 31.0598 174.7957 93 L 4.4740 8.5525 122.5734 54.9413 44.3476 173.5848 94 Y 5.1598 8.2302 116.9632 55.8592 41.0727 175.7689 95 R 4.0226 8.9102 123.9148 56.4273 30.9287 175.6124 96 L 4.5671 8.3478 124.2783 53.5837 43.2208 176.5374 97 A 4.2485 8.2607 124.0188 52.4931 19.2933 175.8316 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 0 H 8.43 2.58 0.00 2.91 2.58 0.00 5.54 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 *2 S 8.37 4.41 0.00 4.03 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 3 T 7.69 4.20 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 1.33 0.00 0.00 4 P 0.00 4.64 0.00 2.00 2.14 0.00 3.74 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 2.06 2.14 0.00 5 L 8.84 4.08 0.00 1.93 1.70 0.58 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.84 4.93 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 1.24 0.00 0.00 7 L 9.13 5.26 0.00 1.70 1.60 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.75 4.73 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.85 0.99 0.00 0.00 9 A 8.67 5.07 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 10 T 8.91 4.54 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 1.02 0.00 0.00 11 I 8.65 4.87 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.80 1.00 0.00 0.00 12 T 8.78 5.06 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 13 A 9.48 4.78 1.45 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 14 A 8.89 4.12 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 15 P 0.00 4.05 0.00 2.05 2.00 0.00 3.70 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 2.05 0.00 16 G 9.38 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 17 H 8.33 4.84 0.00 3.37 3.32 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.05 4.23 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 19 E 8.21 3.96 0.00 2.01 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 2.42 2.33 0.00 20 A 7.94 3.97 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 21 L 8.01 3.84 0.00 1.80 1.65 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.08 3.40 0.00 2.14 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 0.00 2.31 2.36 0.00 23 R 7.61 3.86 0.00 1.87 2.14 0.00 3.32 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 24 E 8.09 4.18 0.00 2.29 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 0.00 2.53 2.55 0.00 25 L 8.42 3.95 0.00 1.42 1.58 0.44 0.61 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 26 R 8.34 3.98 0.00 2.01 2.00 0.00 3.13 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 27 A 7.55 4.11 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 28 L 7.99 4.17 0.00 2.03 1.93 0.45 0.83 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 29 V 7.87 3.68 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 1.22 0.00 0.00 1.12 0.00 0.00 30 A 7.90 3.95 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 31 P 0.00 4.12 0.00 1.63 2.04 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 32 S 7.66 4.74 0.00 2.75 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 33 R 7.86 3.83 0.00 1.92 1.95 0.00 3.17 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 34 A 7.47 4.12 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 35 E 7.63 4.05 0.00 2.42 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 2.46 2.59 0.00 36 A 8.61 4.08 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 37 G 8.99 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 0.00 0.00 0.00 0.00 38 C 7.89 3.85 0.00 2.53 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 39 L 8.09 4.35 0.00 1.44 1.63 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 7.37 4.44 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 41 Y 8.31 4.97 0.00 2.72 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 42 D 8.80 4.96 0.00 2.56 2.43 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 43 L 8.49 4.84 0.00 1.63 1.55 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 H 9.20 5.13 0.00 3.33 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.62 4.93 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.86 0.00 0.00 0.00 0.00 0.00 1.97 1.59 0.00 46 D 8.78 4.57 0.00 2.87 2.78 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 0.00 0.00 0.00 0.00 47 R 8.79 3.99 0.00 1.72 1.78 0.00 3.16 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.52 0.00 48 H 8.60 4.81 0.00 3.16 3.27 0.00 5.65 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 49 D 8.01 4.74 0.00 2.63 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 0.00 0.00 0.00 0.00 50 S 8.71 4.06 0.00 3.93 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 51 H 8.60 4.46 0.00 3.33 3.55 0.00 5.57 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 52 L 7.46 4.93 0.00 1.61 1.21 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.86 5.15 0.00 2.89 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 54 Y 8.50 5.27 0.00 2.93 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 *56 I 8.20 4.28 1.87 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.54 0.89 0.00 0.00 57 E 9.14 5.05 0.00 1.95 1.72 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 1.67 2.06 0.00 58 Q 8.54 5.08 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 59 W 9.10 5.24 0.00 3.27 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 60 R 9.18 4.14 0.00 2.07 2.07 0.00 3.36 0.00 0.00 3.31 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 61 D 7.91 4.72 0.00 2.95 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 62 D 8.78 4.33 0.00 2.71 2.73 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 63 A 7.98 3.98 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 64 A 8.35 3.88 1.67 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 0.00 0.00 65 L 7.13 2.46 0.00 1.02 1.57 0.37 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.27 3.88 0.00 2.17 1.86 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 2.25 2.28 0.00 67 R 7.95 3.79 0.00 1.91 1.91 0.00 3.14 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 68 H 7.62 4.68 0.00 2.51 2.75 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 7.06 2.70 0.00 1.74 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.61 0.00 0.00 0.00 0.00 0.00 1.16 1.85 0.00 70 N 7.44 4.74 0.00 2.73 2.80 0.00 0.00 6.98 7.25 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 71 T 6.97 4.20 4.16 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 1.34 0.00 0.00 72 E 8.91 3.94 0.00 2.09 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 2.41 2.40 0.00 73 H 8.25 4.22 0.00 3.44 3.57 0.00 5.51 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 7.75 4.03 0.00 2.93 3.13 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 75 L 8.24 4.04 0.00 1.79 1.73 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.17 3.94 0.00 1.95 2.01 0.00 3.18 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 77 F 7.75 4.09 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 78 S 7.47 4.23 0.00 3.89 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 79 R 7.06 4.22 0.00 1.67 1.84 0.00 3.12 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 80 G 8.43 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 81 N 7.78 4.52 0.00 2.24 2.46 0.00 0.00 6.75 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 82 E 7.99 3.75 0.00 1.92 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 2.34 2.28 0.00 83 A 7.75 4.11 1.22 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 0.00 0.00 84 L 8.06 4.11 0.00 1.76 1.69 0.86 0.73 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 85 L 7.55 5.12 0.00 1.74 1.58 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 8.94 4.49 0.00 2.01 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 87 N 7.73 4.97 0.00 2.86 2.59 0.00 0.00 6.59 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 88 V 8.37 4.79 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 0.89 0.00 0.00 1.00 0.00 0.00 89 K 9.17 4.67 0.00 1.85 1.64 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.40 7.81 90 I 8.42 4.90 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.12 0.94 0.00 0.00 91 D 9.21 5.02 0.00 2.56 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 92 Q 8.52 5.15 0.00 1.84 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 93 L 8.55 4.47 0.00 1.62 1.66 0.90 0.73 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 94 Y 8.23 5.16 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 95 R 8.91 4.02 0.00 1.81 1.88 0.00 3.24 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 96 L 8.35 4.57 0.00 1.69 1.58 0.94 0.76 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 97 A 8.26 4.25 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 * Residues marked with a * may have inaccurate shift predictions.