NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 V 4.0848 8.0549 120.3927 62.4916 32.0777 175.0652 13 E 3.8863 9.0103 128.0738 58.3661 29.6800 176.1647 14 L 4.6207 8.6474 122.7741 52.0620 43.1555 176.7433 15 R 3.9432 8.3482 123.3010 58.6397 30.2869 176.5694 16 P 4.3352 0.0000 0.0000 65.2375 31.2498 178.3907 17 L 4.0839 7.9483 117.8678 57.3662 41.1617 178.9976 18 I 3.7381 7.5560 119.8144 64.4934 37.2321 178.1299 19 G 3.7603 7.9968 105.7664 47.8275 0.0000 175.0654 20 L 4.0118 7.7548 121.7414 57.4093 42.4043 178.1645 21 T 4.3923 7.7245 107.4962 60.1987 69.2256 174.3868 22 R 4.0688 6.9748 123.3036 58.1787 30.3973 176.7375 23 G 3.9944 8.8994 113.4678 45.2323 0.0000 173.4370 24 L 4.0798 7.4655 121.8073 53.9822 42.8698 175.4606 25 P 4.3902 0.0000 0.0000 62.2283 33.2226 176.0460 26 P 4.3515 0.0000 0.0000 65.7675 31.2286 179.2293 27 T 3.9885 7.8734 108.5314 64.7830 68.8610 176.4229 28 D 4.3331 8.0161 121.3094 56.8642 40.9556 178.0845 29 L 3.8861 7.9373 120.8844 58.1522 42.0736 178.6360 30 E 3.8504 8.2314 118.9783 59.6309 29.6320 178.6629 31 T 3.8737 8.2529 116.0965 66.9527 68.5268 176.4973 32 I 3.7123 8.1740 121.7849 64.7947 37.1244 178.7281 33 T 3.8390 7.9333 116.5299 66.4913 68.1942 177.0152 34 I 3.7959 8.3272 122.2743 64.5268 37.1470 178.2305 35 D 4.3827 8.2403 119.5404 57.2576 40.5069 178.7373 36 A 3.9921 8.1491 121.4915 54.9036 18.2374 179.7942 37 I 3.6830 7.8325 118.5213 64.6602 37.2080 178.8147 38 R 3.9343 7.9972 118.8789 59.4955 29.8346 179.2885 39 T 3.8181 8.0751 115.5188 66.8464 68.4156 176.0174 40 H 4.0697 8.3984 120.2582 59.5725 29.8761 177.4008 41 R 3.8442 8.2340 119.8276 59.2048 29.8425 179.0777 42 R 3.8853 8.0368 118.5680 59.3980 30.0126 178.6118 43 L 3.9802 8.2992 119.3004 57.6326 41.5590 179.7192 44 V 3.4799 7.9057 118.4590 65.9074 31.4547 177.6290 45 E 3.9598 8.2567 119.1340 59.1167 29.4366 178.7637 46 K 3.9161 8.1480 119.3715 59.5733 32.3664 178.7255 47 A 4.1416 8.2669 121.2322 55.1084 18.2092 179.3844 48 D 4.3837 8.6503 117.9406 57.5224 41.0376 178.4419 49 E 3.9498 8.3678 119.7816 59.5347 29.4401 178.9484 50 L 4.0835 7.9323 117.5068 57.7305 41.9726 178.9831 51 F 3.8737 8.4360 120.7523 61.2582 39.0603 177.2940 52 Q 3.9967 8.1082 116.6987 58.3397 28.6141 177.5770 53 A 4.2059 7.4585 118.9664 51.8353 19.2858 177.6653 54 L 3.8629 6.9092 118.0476 53.3583 42.5190 175.5017 55 P 4.3050 0.0000 0.0000 62.7495 32.3438 176.7902 56 E 3.8611 9.0485 122.0188 60.0443 29.2933 179.5582 57 T 3.8050 7.8978 108.9429 65.0899 68.5287 175.7739 58 Y 4.1816 8.0807 120.6037 59.7410 37.7099 178.0740 59 K 3.7754 7.8492 118.8182 58.9537 32.2902 178.2984 60 T 4.3918 7.7258 107.1001 61.4046 69.3118 175.7663 61 G 3.9751 7.7046 110.1656 45.7985 0.0000 174.6667 62 Q 3.9906 7.5865 118.4320 57.8673 28.7785 176.4890 63 A 4.6463 7.4775 119.1550 50.4590 21.9991 174.2280 64 C 4.5878 8.2272 112.2463 58.0259 31.9776 174.2057 65 G 3.9460 9.0745 106.5924 45.8201 0.0000 173.9832 66 G 4.1330 8.6123 102.7842 44.8916 0.0000 172.9613 67 P 4.2191 0.0000 0.0000 65.4729 31.2455 178.8417 68 Q 3.8938 7.9400 117.7235 59.5235 28.9701 177.6403 69 H 4.2716 8.0215 118.6606 59.4095 29.8636 177.0192 70 I 3.6690 8.1921 122.0225 64.3864 36.9021 178.3221 71 R 3.8689 8.1959 119.5874 59.5356 29.7932 178.0273 72 Y 4.0946 7.9756 118.9785 60.6894 38.7793 177.7683 73 I 3.3281 7.9989 120.9493 64.3234 37.1674 178.2769 74 E 3.8670 8.4514 119.4642 59.2544 29.0529 179.2198 75 A 3.9279 7.6111 119.7569 55.3509 18.5154 179.6066 76 S 4.0228 7.6367 112.6436 61.5698 63.0149 176.6027 77 I 3.9102 7.8524 122.7850 64.1498 36.7968 178.5875 78 E 4.1380 7.8695 117.2548 57.1683 29.0131 178.0400 *80 H 4.6868 8.1353 115.5777 55.3447 30.9314 174.6276 81 A 4.1162 8.3740 122.4239 55.4192 18.3358 180.6175 82 Q 4.1995 8.0425 115.2300 56.5293 28.7439 178.0230 *84 S 4.5154 8.2623 112.5123 57.7670 64.4072 175.5246 85 A 3.9216 7.7877 121.7356 54.9250 18.0258 179.3719 86 L 3.5527 8.0015 119.0848 58.3522 42.3057 178.8143 87 N 4.2660 7.9479 115.8151 56.7462 38.4383 177.3190 88 T 3.8756 7.7340 116.7598 66.5775 68.5170 176.7030 89 L 3.9414 7.7889 120.9239 57.8438 41.5391 179.2227 90 Y 4.2816 7.5693 116.7740 61.2788 37.5839 178.6828 91 S 4.2270 7.8161 114.5374 61.6132 62.9684 176.6388 92 I 3.8966 7.6533 121.5942 64.2627 37.0368 177.9179 93 L 3.9587 8.1533 120.4555 56.2405 41.9458 177.9621 94 G 4.1088 10.1139 106.3982 44.8908 0.0000 172.6358 95 F 4.7655 7.0436 111.6655 55.9410 40.1263 173.4175 96 I 3.9153 8.1674 123.4466 59.1539 37.5211 174.4528 97 P 4.7321 0.0000 0.0000 62.1619 31.9799 175.9520 98 K 4.1029 8.5657 121.6915 56.2574 32.4079 176.3362 99 V 4.3916 8.1332 125.6405 60.6377 33.9778 174.9957 100 V 3.7521 8.4735 127.2771 62.7431 32.0756 175.0760 101 V 4.2508 8.1945 128.5119 61.6978 33.7875 175.6524 *102 N 4.5530 8.5581 120.5735 52.6186 38.1459 174.8257 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 12 V 8.05 4.08 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 1.00 0.00 0.00 0.93 0.00 0.00 13 E 9.01 3.89 0.00 2.18 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 0.00 2.31 2.38 0.00 14 L 8.65 4.62 0.00 1.63 1.54 0.89 0.77 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 15 R 8.35 3.94 0.00 1.81 1.97 0.00 3.29 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 16 P 0.00 4.34 0.00 2.14 2.09 0.00 3.60 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 2.10 2.17 0.00 17 L 7.95 4.08 0.00 1.91 1.68 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.56 3.74 1.97 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 1.44 0.45 0.90 0.00 0.00 19 G 8.00 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 0.00 0.00 0.00 20 L 7.75 4.01 0.00 1.77 1.86 0.91 0.83 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 T 7.72 4.39 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 1.18 0.00 0.00 22 R 6.97 4.07 0.00 1.73 1.97 0.00 3.28 0.00 0.00 3.22 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 23 G 8.90 3.99 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 0.00 0.00 0.00 24 L 7.47 4.08 0.00 1.69 1.65 0.91 0.95 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 25 P 0.00 4.39 0.00 2.20 1.97 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 26 P 0.00 4.35 0.00 2.20 2.16 0.00 3.61 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 2.14 2.17 0.00 27 T 7.87 3.99 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 1.24 0.00 0.00 28 D 8.02 4.33 0.00 2.90 2.75 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 29 L 7.94 3.89 0.00 1.75 1.79 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.23 3.85 0.00 2.22 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 0.00 2.39 2.44 0.00 31 T 8.25 3.87 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 1.22 0.00 0.00 32 I 8.17 3.71 1.98 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 1.50 0.69 0.87 0.00 0.00 33 T 7.93 3.84 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 1.23 0.00 0.00 34 I 8.33 3.80 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.74 0.94 0.00 0.00 35 D 8.24 4.38 0.00 2.86 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 36 A 8.15 3.99 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 I 7.83 3.68 2.09 0.00 0.00 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 1.68 0.83 0.98 0.00 0.00 38 R 8.00 3.93 0.00 2.03 1.99 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 39 T 8.08 3.82 4.41 0.00 0.00 0.00 0.00 0.00 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 40 H 8.40 4.07 0.00 3.21 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.23 3.84 0.00 2.04 1.97 0.00 3.22 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 42 R 8.04 3.89 0.00 1.89 2.10 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 43 L 8.30 3.98 0.00 1.77 1.64 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.91 3.48 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 0.98 0.00 0.00 0.71 0.00 0.00 45 E 8.26 3.96 0.00 2.08 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 2.32 2.33 0.00 46 K 8.15 3.92 0.00 1.93 1.95 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.52 7.81 47 A 8.27 4.14 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.65 4.38 0.00 2.89 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 49 E 8.37 3.95 0.00 2.06 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 0.00 2.34 2.38 0.00 50 L 7.93 4.08 0.00 1.94 1.89 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.44 3.87 0.00 3.09 3.16 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 0.00 52 Q 8.11 4.00 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.73 2.58 0.00 53 A 7.46 4.21 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 54 L 6.91 3.86 0.00 1.27 1.32 0.40 0.57 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 55 P 0.00 4.31 0.00 2.49 2.06 0.00 3.23 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 56 E 9.05 3.86 0.00 2.04 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 0.00 2.36 2.43 0.00 57 T 7.90 3.81 3.99 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 1.14 0.00 0.00 58 Y 8.08 4.18 0.00 3.07 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 59 K 7.85 3.78 0.00 1.76 1.78 0.00 1.54 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.30 1.19 7.81 60 T 7.73 4.39 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 61 G 7.70 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 62 Q 7.59 3.99 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 63 A 7.48 4.65 0.50 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 0.00 0.00 0.00 0.00 0.00 0.00 64 C 8.23 4.59 0.00 3.27 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 65 G 9.07 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 66 G 8.61 4.13 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 0.00 0.00 0.00 67 P 0.00 4.22 0.00 2.16 2.11 0.00 3.61 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 2.12 2.16 0.00 68 Q 7.94 3.89 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 69 H 8.02 4.27 0.00 3.14 3.58 0.00 5.75 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 70 I 8.19 3.67 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 1.42 0.71 0.91 0.00 0.00 71 R 8.20 3.87 0.00 2.02 2.14 0.00 3.10 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 72 Y 7.98 4.09 0.00 3.20 3.24 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 73 I 8.00 3.33 1.95 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.61 0.85 0.00 0.00 74 E 8.45 3.87 0.00 2.08 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 2.30 2.43 0.00 75 A 7.61 3.93 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 76 S 7.64 4.02 0.00 3.65 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 77 I 7.85 3.91 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.80 0.89 0.00 0.00 78 E 7.87 4.14 0.00 2.02 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 2.28 2.32 0.00 *80 H 8.14 4.69 0.00 3.32 3.35 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.37 4.12 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.04 4.20 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.33 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 *84 S 8.26 4.52 0.00 3.90 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 85 A 7.79 3.92 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 86 L 8.00 3.55 0.00 1.66 1.42 0.59 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 87 N 7.95 4.27 0.00 2.83 2.87 0.00 0.00 7.08 7.05 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 88 T 7.73 3.88 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 1.22 0.00 0.00 89 L 7.79 3.94 0.00 1.59 1.56 0.80 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 7.57 4.28 0.00 3.15 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 91 S 7.82 4.23 0.00 4.03 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 92 I 7.65 3.90 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.64 0.88 0.00 0.00 93 L 8.15 3.96 0.00 1.39 1.60 0.61 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 94 G 10.11 4.11 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 0.00 0.00 0.00 95 F 7.04 4.77 0.00 3.00 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 96 I 8.17 3.92 1.68 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.00 0.65 0.00 0.00 97 P 0.00 4.73 0.00 2.31 2.30 0.00 3.89 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 98 K 8.57 4.10 0.00 1.75 1.79 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.43 7.81 99 V 8.13 4.39 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 0.90 0.00 0.00 1.03 0.00 0.00 100 V 8.47 3.75 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 0.83 0.00 0.00 0.94 0.00 0.00 101 V 8.19 4.25 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 0.86 0.00 0.00 1.01 0.00 0.00 *102 N 8.56 4.55 0.00 2.53 2.62 0.00 0.00 6.57 7.56 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 * Residues marked with a * may have inaccurate shift predictions.