NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2058 8.2649 123.5851 51.7821 20.0277 176.8319 *2 K 4.0316 7.7224 119.5253 56.4316 33.9320 175.9463 3 K 4.2861 8.7253 124.3118 56.0759 33.4177 175.3917 4 I 4.8998 8.3245 127.2820 59.4380 40.3542 173.9049 5 E 4.9403 9.2090 127.6450 54.4337 32.8358 174.0717 6 I 4.9676 8.7255 127.9876 59.7152 39.9715 174.6248 7 F 4.8991 9.6400 126.6209 55.9611 40.0858 175.4152 8 D 5.2038 9.4833 124.9802 52.9332 42.6174 174.4418 9 P 4.8299 0.0000 0.0000 62.0713 32.3479 176.1367 10 A 4.2795 8.3354 122.2102 52.8131 18.6414 177.9324 *12 C 4.4622 8.6400 115.8773 59.3611 30.3572 172.7673 13 C 4.8832 7.4908 112.5507 53.6698 43.5788 173.0378 14 P 4.1073 0.0000 0.0000 65.2236 30.9688 177.6004 15 T 4.1919 7.8672 105.8932 60.7555 69.7811 175.6378 16 G 3.9289 7.9937 109.7031 46.1096 0.0000 173.7019 17 L 4.6586 7.6712 118.0397 54.7695 42.0210 177.8763 18 C 4.3460 8.2893 116.9381 60.0030 40.5335 175.3940 19 G 3.8287 7.6527 106.6199 45.3002 0.0000 172.8069 20 T 4.0009 8.3782 108.4060 63.9750 69.1584 174.6398 21 N 4.5716 7.9981 119.7473 52.0266 39.0559 174.3299 22 I 4.1616 8.1388 125.0512 59.4710 37.8032 175.1819 23 N 4.4762 8.6381 125.2197 52.6608 39.2868 172.7447 24 P 4.4122 0.0000 0.0000 65.8309 31.9616 177.6647 25 E 4.1457 8.3730 117.2594 59.4576 29.7169 179.7599 26 L 3.8923 8.4523 116.6065 55.2311 41.3112 179.0570 *28 R 4.1497 8.1692 120.2915 56.4416 31.6972 177.4187 29 I 3.6835 7.7376 117.1473 63.8713 37.8318 177.6828 30 A 3.9106 8.1386 122.0585 54.9328 18.0649 179.8417 31 V 3.4963 7.6288 116.3682 65.9589 31.6498 178.0705 32 V 3.5583 7.7543 117.9596 66.3398 31.2955 177.9326 33 I 3.6703 7.9955 119.6402 64.5288 36.9395 178.0972 34 E 3.9276 8.3092 120.0462 59.0462 28.9484 179.0005 35 S 4.1076 8.3588 115.6309 61.6586 62.8983 176.5995 36 L 3.8351 8.0955 121.7280 57.6850 41.2670 179.4395 37 K 4.0761 8.2320 121.0783 58.9510 31.9217 178.8754 38 K 4.0071 8.0518 117.1807 58.5194 31.8921 178.1852 39 Q 4.6208 7.1425 116.3695 54.9043 29.0963 175.8387 40 G 3.8443 8.0480 107.3736 46.2388 0.0000 173.7026 41 I 4.2603 8.0419 121.6498 59.2923 38.1646 174.8882 42 I 4.1106 8.2845 126.9492 59.6929 37.9449 175.2910 43 V 4.4290 8.2428 126.6704 61.4548 32.3029 175.1232 44 T 4.4639 8.0278 119.3944 60.9882 70.3792 174.0652 45 R 4.9985 8.2352 119.3008 54.9012 32.9577 173.8946 46 H 5.1382 8.9371 116.9275 53.9998 33.2632 172.0265 47 N 5.3088 8.6229 118.7405 51.6567 40.8641 174.6396 48 L 3.3331 8.1660 128.9954 58.1174 42.0582 178.4389 49 R 4.0108 8.3976 118.5102 58.7999 30.2915 176.8833 50 D 4.6534 7.9952 116.0144 55.5425 42.2505 176.5225 51 E 5.0115 8.4390 117.0292 52.5453 29.9130 174.4027 52 P 4.2750 0.0000 0.0000 65.7231 32.3400 179.2690 53 Q 4.1114 8.2687 116.6428 59.3126 28.4438 178.9315 54 V 4.1506 7.7264 122.2441 63.9475 31.2493 177.5194 55 Y 4.1964 8.2142 116.0778 59.4335 37.7956 176.9397 56 V 4.1565 7.5104 118.2167 64.8802 33.0678 177.4784 57 S 4.4726 8.6151 113.8509 59.6521 62.8472 173.0409 58 N 4.7041 7.9133 122.0838 52.1061 38.4682 175.1905 59 K 4.0398 8.5892 128.0674 59.6898 32.3678 178.5819 60 T 3.8044 7.8099 115.6581 66.6316 68.3851 176.6318 61 V 3.3826 8.0592 120.3014 65.6528 31.3655 177.4001 62 N 4.2806 8.4740 117.2528 57.0952 38.7502 176.6176 63 D 4.3291 8.5428 120.5316 57.2043 40.8232 178.6165 64 F 3.9842 8.2348 121.1455 61.2604 39.3671 177.2868 65 L 4.0642 8.5140 119.1099 57.7745 41.1535 179.3641 66 Q 3.9798 8.1149 117.5967 58.9553 28.6991 178.7724 67 K 3.9910 7.5185 118.0635 58.5274 32.2878 178.1076 68 H 4.7542 8.0509 113.4146 53.7479 30.7527 175.3091 69 G 3.9989 8.0226 106.3522 44.7967 0.0000 174.3954 70 A 4.0291 8.3063 120.6613 54.8561 18.4609 179.4692 71 D 4.4442 8.0828 114.1700 56.4727 40.9666 177.2303 72 A 4.2673 8.0332 121.7208 53.9322 18.8387 177.9425 73 L 4.4511 7.7121 116.1272 53.9275 42.5555 175.6653 74 P 4.7581 0.0000 0.0000 62.9795 33.1307 174.8415 75 I 4.8656 8.7919 122.5438 59.9358 40.0160 174.4886 76 T 5.0653 8.7788 123.9461 61.8734 70.8232 173.4404 77 L 4.9106 9.0562 127.0651 53.3802 44.1594 175.7789 78 V 4.2473 8.2907 122.8496 61.4124 34.1861 175.2863 79 D 4.3983 10.0261 129.2491 55.3396 38.9528 175.0587 80 G 3.8702 8.3058 105.3671 45.3121 0.0000 173.4994 81 E 4.4247 7.6898 121.2152 53.8813 31.0350 175.2368 82 I 3.7233 8.1871 126.1092 61.8216 37.5250 175.6101 83 A 4.5857 8.7365 126.9308 52.3431 21.1893 176.3714 84 V 4.5464 7.2434 113.4787 61.4843 34.7908 173.3913 85 S 4.8403 8.0027 118.7970 57.7349 65.4339 173.1868 86 Q 4.2806 8.9183 129.3173 55.9025 29.6666 173.2345 87 T 4.6399 7.2523 104.6988 59.3195 71.7511 172.9683 88 Y 4.2651 8.2124 119.5789 56.7760 38.7050 174.2276 89 P 4.5607 0.0000 0.0000 62.9066 32.0832 176.6777 90 T 4.1051 8.1585 111.6702 61.6272 69.3356 174.8488 91 T 3.9113 8.4536 119.9786 66.7003 69.0252 175.7003 92 K 3.9646 8.0510 122.0894 59.5956 32.4183 179.4936 93 Q 3.1773 7.7603 115.7874 56.1341 27.9506 178.4507 *95 S 4.6755 8.1075 115.7230 58.8793 64.8954 176.2867 96 E 3.9525 7.9544 118.6173 59.2428 29.3353 178.5563 97 W 4.6224 8.1948 118.2164 59.5125 29.1390 177.3244 98 T 4.2550 8.0455 106.0936 61.1390 69.1524 175.5948 99 G 3.8775 8.1500 109.7663 45.9666 0.0000 173.4033 100 V 4.2985 7.4298 118.6888 61.2261 33.1927 174.9314 101 N 4.9822 8.2087 122.9150 51.6479 37.4529 173.9933 102 L 4.2461 7.9494 120.4969 53.9275 42.8247 177.2702 103 D 4.5032 8.5661 121.0217 54.7493 40.7462 176.3068 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 A 8.26 4.21 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 *2 K 7.72 4.03 0.00 1.69 1.74 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.48 7.81 3 K 8.73 4.29 0.00 1.88 1.63 0.00 1.44 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.41 7.81 4 I 8.32 4.90 1.91 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 1.17 0.98 0.97 0.00 0.00 5 E 9.21 4.94 0.00 1.98 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 0.00 1.93 2.08 0.00 6 I 8.73 4.97 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 1.15 0.00 0.00 7 F 9.64 4.90 0.00 2.88 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 8 D 9.48 5.20 0.00 2.85 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 9 P 0.00 4.83 0.00 1.99 2.05 0.00 3.86 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 10 A 8.34 4.28 1.19 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 0.00 0.00 *12 C 8.64 4.46 0.00 3.01 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 13 C 7.49 4.88 0.00 3.05 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 14 P 0.00 4.11 0.00 2.05 2.16 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 15 T 7.87 4.19 4.20 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 1.19 0.00 0.00 16 G 7.99 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 L 7.67 4.66 0.00 1.63 1.66 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 18 C 8.29 4.35 0.00 2.96 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 19 G 7.65 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 0.00 0.00 0.00 20 T 8.38 4.00 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 21 N 8.00 4.57 0.00 2.72 2.81 0.00 0.00 6.86 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 22 I 8.14 4.16 1.87 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 1.30 0.78 0.90 0.00 0.00 23 N 8.64 4.48 0.00 2.70 2.75 0.00 0.00 7.25 7.69 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 24 P 0.00 4.41 0.00 2.09 2.11 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 25 E 8.37 4.15 0.00 2.27 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 0.00 2.45 2.36 0.00 26 L 8.45 3.89 0.00 1.78 1.58 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 *28 R 8.17 4.15 0.00 1.92 2.07 0.00 3.17 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 29 I 7.74 3.68 1.70 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 1.43 1.28 0.44 0.00 0.00 30 A 8.14 3.91 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 31 V 7.63 3.50 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 1.10 0.00 0.00 0.91 0.00 0.00 32 V 7.75 3.56 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 1.06 0.00 0.00 0.98 0.00 0.00 33 I 8.00 3.67 1.85 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 1.42 0.62 0.90 0.00 0.00 34 E 8.31 3.93 0.00 2.13 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 2.29 2.38 0.00 35 S 8.36 4.11 0.00 4.06 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 36 L 8.10 3.84 0.00 1.83 1.85 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.23 4.08 0.00 1.87 1.98 0.00 1.67 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.34 7.81 38 K 8.05 4.01 0.00 1.98 1.87 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.63 7.81 39 Q 7.14 4.62 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.43 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 40 G 8.05 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 0.00 0.00 0.00 41 I 8.04 4.26 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.22 0.93 0.00 0.00 42 I 8.28 4.11 1.86 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 1.29 0.80 0.89 0.00 0.00 43 V 8.24 4.43 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 0.84 0.00 0.00 0.97 0.00 0.00 44 T 8.03 4.46 4.09 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 0.00 0.00 1.16 0.00 0.00 45 R 8.24 5.00 0.00 1.84 1.84 0.00 2.95 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.59 0.00 46 H 8.94 5.14 0.00 2.69 3.17 0.00 5.55 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.62 5.31 0.00 2.79 2.70 0.00 0.00 6.60 6.66 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 48 L 8.17 3.33 0.00 0.74 1.53 0.31 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.40 4.01 0.00 1.81 2.11 0.00 3.30 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 50 D 8.00 4.65 0.00 2.75 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 51 E 8.44 5.01 0.00 2.11 1.93 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 2.26 2.28 0.00 52 P 0.00 4.28 0.00 2.20 2.10 0.00 3.64 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 2.13 2.08 0.00 53 Q 8.27 4.11 0.00 2.28 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 54 V 7.73 4.15 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 1.09 0.00 0.00 0.85 0.00 0.00 55 Y 8.21 4.20 0.00 3.17 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 56 V 7.51 4.16 2.26 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 0.94 0.00 0.00 0.99 0.00 0.00 57 S 8.62 4.47 0.00 4.05 4.14 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 58 N 7.91 4.70 0.00 2.81 2.69 0.00 0.00 6.65 6.75 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 59 K 8.59 4.04 0.00 1.85 1.77 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.65 1.52 7.81 60 T 7.81 3.80 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 1.12 0.00 0.00 61 V 8.06 3.38 1.69 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 0.76 0.00 0.00 -0.35 0.00 0.00 62 N 8.47 4.28 0.00 2.95 2.94 0.00 0.00 7.25 8.37 0.00 0.00 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 D 8.54 4.33 0.00 2.71 2.71 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 64 F 8.23 3.98 0.00 3.31 3.17 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 0.00 0.00 0.00 0.00 65 L 8.51 4.06 0.00 1.88 1.75 1.12 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.11 3.98 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 67 K 7.52 3.99 0.00 1.21 1.24 0.00 1.41 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.30 7.81 68 H 8.05 4.75 0.00 2.83 3.12 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.02 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 70 A 8.31 4.03 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 71 D 8.08 4.44 0.00 2.69 2.76 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 72 A 8.03 4.27 1.54 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 0.00 0.00 73 L 7.71 4.45 0.00 1.71 1.79 1.07 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.76 0.00 1.78 1.86 0.00 3.53 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.45 0.00 75 I 8.79 4.87 1.80 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.64 0.59 0.00 0.00 76 T 8.78 5.07 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 1.28 0.00 0.00 77 L 9.06 4.91 0.00 1.56 1.48 0.84 0.39 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 78 V 8.29 4.25 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 -0.62 0.00 0.00 79 D 10.03 4.40 0.00 2.63 2.62 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 80 G 8.31 3.87 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 0.00 0.00 0.00 81 E 7.69 4.42 0.00 2.05 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 82 I 8.19 3.72 1.65 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.68 0.33 0.00 0.00 83 A 8.74 4.59 1.06 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 84 V 7.24 4.55 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 1.12 0.00 0.00 1.18 0.00 0.00 85 S 8.00 4.84 0.00 3.64 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 86 Q 8.92 4.28 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.47 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 87 T 7.25 4.64 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 1.22 0.00 0.00 88 Y 8.21 4.27 0.00 3.08 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 89 P 0.00 4.56 0.00 2.19 2.28 0.00 3.97 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 90 T 8.16 4.11 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 1.18 0.00 0.00 91 T 8.45 3.91 4.20 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 1.24 0.00 0.00 92 K 8.05 3.96 0.00 1.70 1.68 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.38 7.81 93 Q 7.76 3.18 0.00 1.71 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.16 0.00 0.00 0.00 0.00 0.00 1.81 1.99 0.00 *95 S 8.11 4.68 0.00 3.95 4.05 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 96 E 7.95 3.95 0.00 1.78 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 0.00 2.27 2.37 0.00 97 W 8.19 4.62 0.00 3.40 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 98 T 8.05 4.26 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 1.32 0.00 0.00 99 G 8.15 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.43 4.30 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 0.98 0.00 0.00 1.00 0.00 0.00 101 N 8.21 4.98 0.00 2.73 2.74 0.00 0.00 7.00 7.85 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 0.00 102 L 7.95 4.25 0.00 1.66 1.58 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.57 4.50 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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.