NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4051 8.2649 123.5929 51.6595 19.9570 176.5884 3 I 3.7690 8.4530 123.8360 60.3898 38.1096 173.6743 4 D 4.6930 8.4359 124.8656 52.9389 43.2270 177.1129 5 V 2.4513 8.1735 125.8272 64.4180 31.3756 177.8514 6 L 4.5700 7.8548 117.7272 55.6572 41.6021 177.4319 7 D 4.4974 7.6661 117.3804 55.4466 41.4045 177.6134 8 V 3.8946 7.4281 117.8256 64.0719 32.3255 176.0747 9 I 4.3677 8.0093 121.1055 58.3156 40.5630 175.2542 10 S 4.2995 8.3101 120.4608 57.9583 64.9462 174.9326 11 L 4.1309 8.4542 124.1723 58.2834 41.8294 178.9585 12 S 4.0947 8.1422 112.7609 61.6846 62.2014 176.2258 13 L 3.9298 7.6542 120.9710 57.5499 40.8459 179.4969 14 F 3.8016 7.7970 117.7837 60.4488 38.7393 177.8437 15 K 4.1381 8.4407 118.3551 59.6241 31.8097 179.5080 16 Q 4.0502 8.2045 118.4884 58.6797 28.3777 178.0518 17 Q 4.0289 7.9912 120.3025 59.0453 29.1125 178.1458 18 I 4.2157 7.3232 109.5696 59.6307 38.2323 175.0101 19 E 3.7298 7.9216 118.4452 57.6898 27.4315 174.2928 20 F 4.7088 8.5659 121.0000 56.8431 40.2975 174.8577 21 E 4.2504 8.0635 127.3212 57.4900 30.3443 176.6993 22 E 4.1132 6.8920 117.2836 56.1132 30.1082 175.9856 23 D 4.9667 8.5411 118.7675 53.4075 39.8216 176.0483 24 D 4.9320 8.1407 117.3210 53.6346 39.7912 176.4258 25 R 4.8021 7.8098 117.6726 55.9730 31.7790 177.2960 26 D 4.4309 8.4936 120.6412 57.4775 40.7633 178.0749 27 E 3.8951 8.0820 118.5543 59.2785 29.5819 178.9099 28 L 3.6280 7.7470 119.7151 58.1958 42.1705 178.8847 29 I 3.8863 7.7295 119.6164 64.6800 37.0401 178.4765 30 T 3.7313 8.2085 116.9895 66.5347 68.2064 176.3037 31 L 4.0865 7.7349 122.0970 58.3750 41.9859 178.6680 32 Y 4.3849 7.7968 116.4163 61.0661 37.8290 178.2202 33 A 3.6070 8.5165 122.0963 55.3139 18.2615 179.7591 34 Q 4.0145 8.5760 116.5723 58.9717 28.7177 178.8574 35 A 4.0729 8.5385 121.9891 55.1543 18.3849 179.5367 36 A 4.0913 8.5096 119.6368 55.3063 18.2894 179.6373 37 F 4.2751 8.3713 118.0227 61.4976 39.6013 176.2908 38 D 4.5089 8.2796 116.5058 57.6299 41.2921 177.4022 39 Y 4.2897 8.3023 119.7529 60.9048 38.7572 179.4570 40 C 4.4116 8.3892 116.1152 60.2551 27.6887 175.9111 *42 R 4.1598 8.0205 122.0280 56.0528 31.8244 177.9783 43 W 3.9763 8.1196 126.9027 60.4635 30.8373 177.0591 44 C 4.3290 8.6785 115.5140 61.1800 28.1473 173.3292 45 D 4.0881 7.1281 117.7974 55.5526 39.6481 174.8562 46 E 4.0510 6.8527 120.2499 53.1164 29.5746 173.7836 47 P 4.2372 0.0000 0.0000 64.5367 31.7347 178.2930 48 A 3.9407 8.1124 122.0225 54.2678 18.3008 177.5142 49 W 4.7237 7.4321 115.2818 56.3790 28.0938 175.8717 50 K 4.3543 9.2510 124.0534 57.2864 32.6633 177.6333 51 V 4.5606 7.6865 109.7020 58.7101 35.5372 176.0699 52 A 3.9651 8.7831 123.3449 55.6127 18.0848 180.0443 53 A 4.0909 7.8871 116.4816 54.8396 18.5959 178.3435 54 D 4.4188 7.9401 115.0820 56.4767 41.1230 176.8271 55 I 2.7703 7.1863 120.7402 59.7616 37.4195 174.9137 56 P 4.2220 0.0000 0.0000 62.0583 33.1863 177.2479 57 A 3.9384 8.4849 122.0453 55.3719 18.3701 180.1810 58 A 4.0027 7.9404 118.8361 55.1582 18.4156 179.9185 59 V 3.6055 7.6492 116.5325 66.0343 31.7029 178.1262 60 K 4.0413 8.0110 118.2499 59.4280 31.9118 179.4416 61 G 3.5927 8.0771 105.7344 47.6384 0.0000 175.5479 62 A 4.0027 7.8867 123.2677 54.9215 18.3767 179.6031 63 V 3.7490 8.1765 117.1059 66.5536 31.4675 178.2458 64 L 4.2674 8.0526 118.4013 57.8289 41.5380 179.4963 65 L 4.0484 8.0072 118.8541 57.8411 41.3479 179.8130 66 V 3.5897 7.9014 117.1766 65.7365 31.5587 177.5061 67 F 4.3040 8.5176 119.4492 61.4942 39.6313 176.6238 68 A 3.8285 8.5421 120.5909 54.8886 18.0577 179.4538 69 D 4.3185 7.7126 113.1737 55.0398 40.8287 177.7031 *71 F 3.8095 7.9478 120.8825 57.2674 40.8980 175.7359 72 E 3.9639 7.9364 118.1926 57.7237 29.6616 175.8269 73 H 4.6876 8.0291 116.1039 54.1960 28.9538 173.8589 74 R 4.2230 8.2570 122.6414 56.2409 29.6350 176.9264 75 T 4.6028 7.3621 108.1523 59.2065 71.2747 175.0081 76 A 4.1550 8.5845 126.1490 54.4203 18.7673 177.6760 77 Q 4.6669 7.3740 111.3395 54.0171 32.4987 174.7974 78 S 4.7544 8.1506 113.9004 56.4603 66.0598 174.1926 79 E 4.1017 8.7819 121.1975 57.9606 29.7080 177.3495 80 V 4.3292 7.3249 117.9303 59.0304 33.3910 175.3624 81 Q 3.8149 8.5145 124.7061 56.2245 29.4438 175.2454 82 L 4.4580 7.8561 123.9225 53.0872 43.7253 175.3411 83 Y 4.7064 7.9652 119.2267 55.6559 40.4022 175.4390 84 E 3.9139 8.7650 125.3263 56.1286 30.5917 175.6745 85 N 4.5584 8.7208 124.6464 52.5387 39.0724 175.2034 86 A 4.0401 8.7002 128.7549 55.0254 18.1236 178.5518 87 A 3.9469 8.1939 118.6941 55.3430 18.3959 179.3371 88 A 4.0411 7.5845 117.7799 55.5768 18.6128 179.2747 89 E 3.7190 7.9062 115.8932 58.4553 31.2258 178.4454 90 R 4.2260 7.7951 119.2871 56.5049 25.8773 176.4678 *93 F 5.0297 7.8264 123.8991 58.1810 41.5901 176.2628 94 I 4.1368 7.6285 108.9843 62.0216 37.3963 175.6000 95 H 4.5799 7.9717 124.1502 56.5075 29.7817 172.9680 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 2 A 8.26 4.41 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 3 I 8.45 3.77 2.25 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 1.06 0.00 0.00 4 D 8.44 4.69 0.00 2.68 2.66 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 0.00 0.00 0.00 0.00 5 V 8.17 2.45 1.70 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 0.77 0.00 0.00 0.89 0.00 0.00 6 L 7.85 4.57 0.00 1.64 1.74 0.90 0.90 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 7 D 7.67 4.50 0.00 2.80 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 8 V 7.43 3.89 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 0.76 0.00 0.00 0.81 0.00 0.00 9 I 8.01 4.37 1.35 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.47 -0.09 0.00 0.00 10 S 8.31 4.30 0.00 4.01 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 11 L 8.45 4.13 0.00 1.81 1.74 0.89 0.79 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 12 S 8.14 4.09 0.00 3.92 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 13 L 7.65 3.93 0.00 1.57 1.39 0.76 1.45 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 14 F 7.80 3.80 0.00 2.96 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 0.00 0.00 0.00 15 K 8.44 4.14 0.00 2.00 2.19 0.00 1.77 0.00 0.00 1.92 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.75 1.62 7.81 16 Q 8.20 4.05 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 17 Q 7.99 4.03 0.00 2.05 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.99 0.00 0.00 0.00 0.00 0.00 2.80 2.60 0.00 18 I 7.32 4.22 1.46 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.77 0.80 0.00 0.00 19 E 7.92 3.73 0.00 2.16 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 2.27 2.29 0.00 20 F 8.57 4.71 0.00 2.65 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 21 E 8.06 4.25 0.00 1.81 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 2.17 2.19 0.00 22 E 6.89 4.11 0.00 1.29 1.89 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 2.17 2.21 0.00 23 D 8.54 4.97 0.00 2.76 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 24 D 8.14 4.93 0.00 2.83 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 25 R 7.81 4.80 0.00 2.05 1.93 0.00 3.34 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.87 0.00 26 D 8.49 4.43 0.00 2.79 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 27 E 8.08 3.90 0.00 2.02 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 2.39 2.42 0.00 28 L 7.75 3.63 0.00 1.60 1.66 0.55 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.73 3.89 1.98 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.42 1.05 0.00 0.00 30 T 8.21 3.73 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 1.16 0.00 0.00 31 L 7.73 4.09 0.00 1.80 1.54 0.84 1.04 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 32 Y 7.80 4.38 0.00 3.41 2.89 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 33 A 8.52 3.61 0.30 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 34 Q 8.58 4.01 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 35 A 8.54 4.07 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 4.09 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.37 4.28 0.00 3.17 3.23 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 38 D 8.28 4.51 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.30 4.29 0.00 3.21 3.22 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 40 C 8.39 4.41 0.00 3.06 3.01 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 *42 R 8.02 4.16 0.00 1.83 1.96 0.00 3.14 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.94 0.00 43 W 8.12 3.98 0.00 2.78 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 44 C 8.68 4.33 0.00 3.13 3.01 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 45 D 7.13 4.09 0.00 2.89 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 6.85 4.05 0.00 1.16 1.12 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 1.47 1.47 0.00 47 P 0.00 4.24 0.00 2.14 2.09 0.00 3.61 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.85 0.00 48 A 8.11 3.94 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 49 W 7.43 4.72 0.00 3.48 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 50 K 9.25 4.35 0.00 1.80 1.91 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 51 V 7.69 4.56 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 0.81 0.00 0.00 1.06 0.00 0.00 52 A 8.78 3.97 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 53 A 7.89 4.09 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 54 D 7.94 4.42 0.00 2.92 2.90 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 55 I 7.19 2.77 1.70 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 1.40 0.83 0.60 0.00 0.00 56 P 0.00 4.22 0.00 1.84 1.73 0.00 2.33 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.84 0.00 57 A 8.48 3.94 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 58 A 7.94 4.00 1.41 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 0.00 0.00 0.00 59 V 7.65 3.61 1.97 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 1.15 0.00 0.00 0.99 0.00 0.00 60 K 8.01 4.04 0.00 2.03 1.78 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.39 7.81 61 G 8.08 3.59 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 0.00 0.00 0.00 62 A 7.89 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.18 3.75 2.41 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 1.53 0.00 0.00 1.29 0.00 0.00 64 L 8.05 4.27 0.00 1.97 1.79 0.82 0.24 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 65 L 8.01 4.05 0.00 1.93 1.75 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.90 3.59 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 0.77 0.00 0.00 1.00 0.00 0.00 67 F 8.52 4.30 0.00 3.15 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.54 3.83 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.71 4.32 0.00 2.89 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 *71 F 7.95 3.81 0.00 2.35 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 72 E 7.94 3.96 0.00 1.59 1.73 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 2.53 2.38 0.00 73 H 8.03 4.69 0.00 3.04 3.14 0.00 5.66 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 74 R 8.26 4.22 0.00 1.70 1.89 0.00 3.21 0.00 0.00 3.08 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.38 0.00 75 T 7.36 4.60 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 1.17 0.00 0.00 76 A 8.58 4.16 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 77 Q 7.37 4.67 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.62 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 78 S 8.15 4.75 0.00 3.89 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 79 E 8.78 4.10 0.00 1.94 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 2.29 2.33 0.00 80 V 7.32 4.33 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 0.68 0.00 0.00 0.92 0.00 0.00 81 Q 8.51 3.81 0.00 1.84 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 1.85 1.44 0.00 82 L 7.86 4.46 0.00 1.47 1.38 0.72 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.97 4.71 0.00 2.94 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 84 E 8.77 3.91 0.00 1.95 1.89 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 2.29 2.29 0.00 85 N 8.72 4.56 0.00 2.78 2.71 0.00 0.00 7.09 8.67 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 86 A 8.70 4.04 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 87 A 8.19 3.95 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 88 A 7.58 4.04 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 89 E 7.91 3.72 0.00 1.76 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 0.00 2.26 2.40 0.00 90 R 7.80 4.23 0.00 2.06 1.91 0.00 3.31 0.00 0.00 3.08 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 *93 F 7.83 5.03 0.00 3.42 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 94 I 7.63 4.14 1.84 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 1.57 0.73 1.06 0.00 0.00 95 H 7.97 4.58 0.00 3.39 3.65 0.00 5.88 0.00 0.00 0.00 0.00 6.91 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.