NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1432 8.0093 121.4477 60.2425 38.1305 175.2950 4 P 4.1922 0.0000 0.0000 62.2510 31.6722 175.1356 5 G 3.6093 8.6270 108.5853 46.9061 0.0000 175.1929 6 G 3.9053 7.5735 106.7995 45.3499 0.0000 172.7215 7 W 4.8075 8.6395 119.5218 56.2209 30.3249 176.4502 8 T 4.6153 9.2626 121.6757 61.5917 70.2118 173.8519 9 R 4.4752 8.7661 127.7564 56.4970 30.7844 175.5220 10 Q 4.8030 8.8081 125.0573 53.6238 32.1116 174.9715 11 D 4.4415 8.6512 120.3695 53.8875 41.1679 174.9245 12 P 4.6306 0.0000 0.0000 64.2722 31.7853 176.7876 13 T 4.3811 8.1896 108.7800 61.8429 69.5666 174.9298 14 E 4.0385 8.0512 122.3778 56.2308 30.2506 177.4688 15 A 3.9961 8.8514 125.6760 55.5318 18.3563 180.0740 16 R 3.6872 7.7412 113.7619 59.5602 29.2019 178.8300 17 F 4.5796 7.7037 118.0507 59.9333 38.9513 177.6410 18 L 4.0331 7.8556 119.8844 57.9533 42.0130 178.1665 19 E 4.0033 8.4296 119.5532 59.6140 29.5141 178.9937 20 L 4.0755 8.0370 118.5916 57.5834 41.6304 179.3239 21 A 4.0702 8.2683 120.8677 55.5532 18.2979 179.4353 22 H 4.1671 8.4797 114.7629 58.8393 28.5624 177.6599 23 F 4.0691 8.1367 121.2724 61.4726 39.4733 176.8287 24 A 3.8623 8.3087 120.2488 55.2037 18.1743 179.8303 25 T 3.8901 8.1065 114.6264 66.5650 68.4897 177.2292 26 S 3.5454 7.7522 114.8710 60.2145 62.7372 175.3445 27 S 4.5105 6.9624 113.6307 57.7296 63.1450 174.0826 28 Q 4.1538 7.4525 120.8795 55.1632 27.0790 175.0116 29 T 4.3386 7.7341 110.1588 60.6547 70.2502 174.8528 30 E 3.8382 7.9980 124.9793 57.3021 30.0146 176.5891 31 G 3.9370 8.7950 114.1330 46.6351 0.0000 173.2238 32 R 4.6810 7.1348 113.2941 53.8898 34.0783 175.4940 33 E 3.9139 8.7077 121.0957 57.8277 30.1650 176.1449 34 F 5.3182 7.6486 114.9368 55.1782 42.4864 175.1775 35 Y 4.3384 8.7996 119.5605 58.6297 38.7752 175.8552 36 D 5.1632 8.8172 122.8194 54.5105 42.5564 174.9713 37 T 4.9506 9.0879 114.9754 60.4715 71.9344 172.3390 38 V 4.4132 8.4220 123.6300 62.5035 31.8196 175.2706 39 V 4.1705 8.8761 128.3244 64.8885 32.6183 175.7768 40 T 4.6431 7.6093 112.8548 60.7388 71.0565 172.4908 41 V 4.4429 8.3355 127.2738 61.6636 31.7985 175.2442 42 K 4.2980 9.0671 129.3271 58.7826 32.9339 177.4902 43 E 4.7159 7.7396 118.7246 54.8384 33.4579 174.1171 44 V 4.7938 8.1813 124.4927 61.2545 35.3598 173.6861 45 E 5.3764 9.0897 126.1424 54.8616 33.8491 174.5820 46 T 5.2545 9.1071 113.5231 60.0505 72.5692 172.7204 47 Q 4.2189 8.3906 123.4533 54.2826 32.5327 173.8067 48 V 4.1545 8.2431 126.7111 62.2537 31.7452 174.8121 49 V 4.4370 8.4034 125.5635 61.1066 33.3995 177.8474 50 A 4.5005 8.6074 122.0747 50.1825 17.3928 175.2596 51 G 3.6992 7.6043 108.4479 43.4667 0.0000 170.2278 52 M 5.1005 8.4696 118.8611 53.6261 36.1219 174.4851 53 N 5.4696 9.1388 120.8983 52.2062 41.1142 173.5487 54 Y 5.1171 9.5553 121.3745 56.1864 41.1032 174.5940 55 K 4.7907 9.6972 127.2007 54.9346 33.9765 174.6771 56 L 5.0986 9.1156 128.8949 53.2513 44.3507 175.8818 57 T 4.8751 8.7579 122.1325 62.2410 69.8838 174.0662 58 I 5.0582 8.7140 119.9516 59.1306 41.8709 173.8590 59 E 5.2174 9.1698 123.5361 54.8870 31.4856 175.3557 60 I 5.1029 9.0693 118.1918 59.5635 41.5748 174.2026 61 S 4.9032 8.6945 115.4568 56.3811 66.3311 171.9386 62 P 4.8902 0.0000 0.0000 63.1960 32.2468 176.2702 63 S 5.0633 8.9429 119.6863 57.2603 64.8708 174.5014 64 V 3.7923 8.3760 112.2075 62.9383 32.0256 176.1584 65 C 4.7849 8.3633 120.1200 55.9405 38.3053 172.7444 66 K 4.3701 8.8236 126.2120 55.3329 33.1053 176.2477 67 I 3.3994 7.8292 129.2460 62.6300 37.3421 176.8546 68 G 3.9528 8.8766 112.6389 45.5385 0.0000 173.5477 69 E 4.3478 7.9453 119.2521 57.1573 30.5711 175.9899 70 V 4.6113 7.3511 108.8086 59.2389 35.8257 174.4512 71 Q 4.2930 8.4187 122.3361 55.4625 29.7036 175.0383 72 Y 3.6425 8.2219 125.9203 57.3311 39.4936 175.1821 73 S 4.4874 7.3335 119.7846 55.9900 66.3078 174.6335 74 A 3.6842 8.5391 125.4237 55.3144 18.3404 178.7608 75 E 4.0093 7.9107 115.4362 58.9468 30.1369 177.4846 76 Q 4.0585 7.7042 118.3486 58.5983 29.7999 175.9243 77 C 4.5402 7.5480 116.5045 55.5990 38.3967 173.7527 78 V 3.9738 7.1496 115.6361 59.9930 32.5576 174.5919 79 P 4.8033 0.0000 0.0000 62.7552 31.7580 176.9852 80 K 3.8615 8.7321 122.5732 59.5279 32.4032 176.9897 81 D 4.2238 7.5072 117.1463 53.6056 41.7628 175.2805 82 A 4.2304 8.5110 130.2754 54.1309 18.8580 178.5305 83 Q 4.0578 7.8491 114.6948 58.5617 28.8113 176.9401 84 Q 4.2929 7.6912 116.8516 54.7271 27.3237 174.5457 85 K 4.9525 8.1118 120.8694 54.5405 34.9583 175.6791 86 S 4.7688 9.1097 118.9118 57.1184 67.2648 173.0346 87 T 4.9761 8.3065 120.7628 62.5760 70.0191 173.3631 88 C 5.3927 9.3454 123.2875 55.0023 46.2650 173.0815 89 V 4.6567 8.6373 120.5996 61.1441 33.6484 173.9972 90 A 4.9358 9.0181 130.3430 50.0111 21.6655 174.9447 91 V 4.8682 8.6683 122.6579 61.2572 34.1110 174.2800 92 I 5.1209 9.0917 129.4377 59.8581 39.8162 173.8943 93 Y 5.3998 9.0598 128.8639 56.6677 40.5234 173.4481 94 H 5.0419 9.1105 127.1504 54.4475 32.8720 172.7026 95 V 3.6019 8.3753 126.7833 59.9069 31.4064 174.0387 96 P 3.9192 0.0000 0.0000 64.6512 31.5107 178.6132 97 W 4.4567 7.2164 112.5926 57.9511 28.3357 176.3328 98 Q 4.4366 7.3108 116.7723 54.9038 29.2697 174.8301 99 N 4.1464 7.7709 114.3609 54.7536 36.6850 174.0547 100 Q 4.6712 7.6690 115.5069 53.9543 32.2897 175.4220 101 K 5.1504 8.6165 122.5943 54.5464 35.3026 175.6529 102 S 4.9473 9.2245 118.4368 56.5875 67.0659 173.5042 103 V 4.5570 8.5046 121.7199 62.4157 30.9953 175.6550 104 T 4.3105 9.1072 126.9394 66.5707 68.9102 175.1960 105 S 4.7367 7.9077 113.1670 57.6730 66.4114 173.4992 106 Y 4.9220 8.4480 122.7056 56.7342 41.2320 174.2618 107 R 4.6269 8.9182 126.4352 54.7039 33.8939 173.9007 108 C 5.1166 8.8148 122.1628 55.2145 41.1253 173.4671 109 E 3.8286 8.6496 128.1057 59.7907 29.5966 177.1097 *110 H 4.4310 8.2707 119.2126 54.5884 27.8907 176.2345 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 I 8.01 4.14 1.85 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 1.46 1.05 0.88 0.00 0.00 4 P 0.00 4.19 0.00 2.22 2.04 0.00 3.74 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 1.96 2.01 0.00 5 G 8.63 3.61 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 0.00 0.00 0.00 6 G 7.57 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 7 W 8.64 4.81 0.00 3.17 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 8 T 9.26 4.62 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 1.25 0.00 0.00 9 R 8.77 4.48 0.00 1.84 1.85 0.00 3.19 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 10 Q 8.81 4.80 0.00 1.71 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 11 D 8.65 4.44 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 12 P 0.00 4.63 0.00 2.42 2.13 0.00 3.85 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 13 T 8.19 4.38 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 1.25 0.00 0.00 14 E 8.05 4.04 0.00 1.96 1.59 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 2.32 2.46 0.00 15 A 8.85 4.00 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 16 R 7.74 3.69 0.00 1.77 1.98 0.00 2.71 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.60 0.00 17 F 7.70 4.58 0.00 3.31 3.04 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 18 L 7.86 4.03 0.00 1.83 1.90 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.43 4.00 0.00 2.18 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 0.00 2.29 2.38 0.00 20 L 8.04 4.08 0.00 1.94 1.72 0.34 0.42 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 21 A 8.27 4.07 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.48 4.17 0.00 3.48 3.52 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.14 4.07 0.00 3.01 3.32 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 24 A 8.31 3.86 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.11 3.89 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 1.27 0.00 0.00 26 S 7.75 3.55 0.00 2.72 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 27 S 6.96 4.51 0.00 3.51 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 28 Q 7.45 4.15 0.00 1.83 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.47 0.00 0.00 0.00 0.00 0.00 1.67 1.16 0.00 29 T 7.73 4.34 4.08 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 1.17 0.00 0.00 30 E 8.00 3.84 0.00 1.96 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 2.34 2.27 0.00 31 G 8.79 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 0.00 0.00 0.00 32 R 7.13 4.68 0.00 1.71 1.89 0.00 3.00 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 33 E 8.71 3.91 0.00 1.87 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 1.47 1.93 0.00 34 F 7.65 5.32 0.00 2.97 3.14 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 0.00 0.00 0.00 0.00 35 Y 8.80 4.34 0.00 3.18 3.14 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 0.00 0.00 0.00 0.00 36 D 8.82 5.16 0.00 2.61 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 37 T 9.09 4.95 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 1.32 0.00 0.00 38 V 8.42 4.41 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 0.81 0.00 0.00 0.86 0.00 0.00 39 V 8.88 4.17 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 0.79 0.00 0.00 0.95 0.00 0.00 40 T 7.61 4.64 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 1.22 0.00 0.00 41 V 8.34 4.44 2.25 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 0.90 0.00 0.00 0.98 0.00 0.00 42 K 9.07 4.30 0.00 1.76 1.81 0.00 1.92 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.37 7.81 43 E 7.74 4.72 0.00 1.95 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 0.00 2.18 2.24 0.00 44 V 8.18 4.79 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.60 0.00 0.00 45 E 9.09 5.38 0.00 1.78 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 2.23 2.16 0.00 46 T 9.11 5.25 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 1.21 0.00 0.00 47 Q 8.39 4.22 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 48 V 8.24 4.15 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 0.83 0.00 0.00 0.88 0.00 0.00 49 V 8.40 4.44 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 0.64 0.00 0.00 1.11 0.00 0.00 50 A 8.61 4.50 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 51 G 7.60 3.70 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 0.00 0.00 0.00 52 M 8.47 5.10 0.00 1.47 1.97 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.64 0.00 53 N 9.14 5.47 0.00 2.35 3.05 0.00 0.00 6.56 7.52 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 54 Y 9.56 5.12 0.00 2.95 2.97 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 55 K 9.70 4.79 0.00 1.22 1.37 0.00 1.19 0.00 0.00 1.09 0.00 0.00 2.13 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.95 1.12 7.81 56 L 9.12 5.10 0.00 1.52 1.51 1.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.76 4.88 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 1.13 0.00 0.00 58 I 8.71 5.06 1.96 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 1.27 1.21 0.84 0.00 0.00 59 E 9.17 5.22 0.00 1.90 1.90 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 2.24 2.22 0.00 60 I 9.07 5.10 2.05 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.40 1.02 0.00 0.00 61 S 8.69 4.90 0.00 3.93 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 62 P 0.00 4.89 0.00 2.04 1.97 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 63 S 8.94 5.06 0.00 4.06 4.03 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 0.00 0.00 0.00 64 V 8.38 3.79 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 0.61 0.00 0.00 0.97 0.00 0.00 65 C 8.36 4.78 0.00 3.23 3.33 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 66 K 8.82 4.37 0.00 1.75 1.58 0.00 1.50 0.00 0.00 1.85 0.00 0.00 2.66 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.16 0.53 7.81 67 I 7.83 3.40 1.51 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.09 0.61 0.00 0.00 68 G 8.88 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 69 E 7.95 4.35 0.00 1.91 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 2.26 2.25 0.00 70 V 7.35 4.61 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 0.80 0.00 0.00 1.11 0.00 0.00 71 Q 8.42 4.29 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 72 Y 8.22 3.64 0.00 1.67 2.49 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 73 S 7.33 4.49 0.00 3.83 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 74 A 8.54 3.68 0.98 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 75 E 7.91 4.01 0.00 1.88 1.90 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 2.23 2.25 0.00 76 Q 7.70 4.06 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.18 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 77 C 7.55 4.54 0.00 2.49 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 78 V 7.15 3.97 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 0.78 0.00 0.00 0.91 0.00 0.00 79 P 0.00 4.80 0.00 2.04 2.00 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 80 K 8.73 3.86 0.00 1.61 1.77 0.00 1.49 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.29 7.81 81 D 7.51 4.22 0.00 2.59 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 82 A 8.51 4.23 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 83 Q 7.85 4.06 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.13 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 84 Q 7.69 4.29 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 85 K 8.11 4.95 0.00 1.62 1.70 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.63 7.81 86 S 9.11 4.77 0.00 3.72 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 87 T 8.31 4.98 4.22 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 1.16 0.00 0.00 88 C 9.35 5.39 0.00 2.47 2.59 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 89 V 8.64 4.66 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 0.86 0.00 0.00 0.80 0.00 0.00 90 A 9.02 4.94 1.03 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 0.00 0.00 0.00 0.00 0.00 91 V 8.67 4.87 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 1.28 0.00 0.00 0.89 0.00 0.00 92 I 9.09 5.12 2.12 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.62 1.09 0.00 0.00 93 Y 9.06 5.40 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 94 H 9.11 5.04 0.00 3.26 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.38 3.60 1.56 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 -0.16 0.00 0.00 0.29 0.00 0.00 96 P 0.00 3.92 0.00 2.25 1.96 0.00 2.35 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.63 0.00 97 W 7.22 4.46 0.00 3.39 3.33 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 98 Q 7.31 4.44 0.00 1.81 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 99 N 7.77 4.15 0.00 2.83 2.85 0.00 0.00 6.71 7.83 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 0.00 100 Q 7.67 4.67 0.00 1.81 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 101 K 8.62 5.15 0.00 1.02 1.21 0.00 0.77 0.00 0.00 1.20 0.00 0.00 2.34 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.98 1.02 7.81 102 S 9.22 4.95 0.00 3.98 4.03 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 0.00 0.00 0.00 103 V 8.50 4.56 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 1.05 0.00 0.00 0.91 0.00 0.00 104 T 9.11 4.31 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 105 S 7.91 4.74 0.00 3.89 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 0.00 106 Y 8.45 4.92 0.00 2.95 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 0.00 107 R 8.92 4.63 0.00 1.69 1.76 0.00 3.12 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 108 C 8.81 5.12 0.00 2.90 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 0.00 109 E 8.65 3.83 0.00 1.91 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 2.31 2.25 0.00 *110 H 8.27 4.43 0.00 2.95 3.31 0.00 7.27 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 * Residues marked with a * may have inaccurate shift predictions.