NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3719 8.3349 115.2904 57.9097 63.5524 172.8633 1 L 4.3822 8.2816 127.1640 52.1003 42.5770 174.7088 2 K 4.3722 8.7125 121.4791 57.3060 36.4986 174.5567 3 G 4.1090 8.2268 105.3351 45.9746 0.0000 172.3719 4 L 4.3761 8.3679 121.4232 55.0593 42.3040 177.9146 5 R 4.7662 9.3382 123.2934 56.8853 32.5136 176.6751 6 R 5.1795 7.6752 117.6330 54.9612 33.8657 173.8835 7 L 5.3682 9.0899 125.0675 52.9115 46.3067 175.5618 8 V 4.8431 8.5408 121.5766 61.2294 34.2443 174.0977 9 L 5.1775 9.2470 128.4685 52.9358 44.8693 175.3534 10 D 4.8838 9.2230 124.5004 53.5378 42.0182 174.9268 11 V 4.8454 8.8027 126.9049 60.8618 34.8036 173.7622 12 L 5.2076 8.5398 129.4489 53.1750 44.3128 175.1479 13 K 4.9471 8.5869 123.9300 54.7701 36.3706 174.0835 14 P 4.8033 0.0000 0.0000 62.3000 32.1015 177.3227 15 H 4.1304 8.5082 115.8450 57.8966 28.7843 175.8817 16 E 4.7720 7.4274 118.3221 53.5237 32.2603 174.0884 17 P 4.6666 0.0000 0.0000 61.6384 32.7755 176.0619 18 K 4.2133 8.3932 117.9382 56.3185 32.7379 178.4139 19 T 3.8824 8.6372 112.5804 65.2073 68.2485 176.4826 20 I 3.7843 7.7976 115.2011 63.7680 37.5637 178.2446 21 V 3.7047 8.2791 120.6822 65.6326 31.2686 178.1369 22 F 3.9666 8.3636 117.1284 60.2564 38.8310 177.2809 23 A 4.0385 8.2611 120.3765 55.1864 18.2669 179.5533 24 L 3.9708 7.8767 118.6548 57.3273 41.5521 179.5208 25 K 3.8279 7.6859 117.9433 59.8005 32.5005 178.4351 26 L 4.1481 8.1803 119.4057 57.6463 41.6467 179.4405 27 S 4.3161 8.4285 113.8548 60.5397 62.7934 175.2687 28 E 4.3977 7.5524 120.2101 55.7933 30.0054 176.5755 29 L 4.1766 7.5313 120.5641 54.3610 42.4953 177.5418 30 E 3.8372 8.4707 124.4492 59.0429 30.2080 178.9623 31 N 5.0137 7.9924 115.0346 52.2870 37.7369 174.0649 32 V 4.6673 7.4555 117.7233 62.4207 33.1790 174.7201 33 D 4.5785 8.9782 128.2932 56.8527 41.6313 176.5737 34 G 4.1186 7.5678 102.8987 45.7716 0.0000 172.5724 35 V 5.0403 8.3331 119.0373 61.0518 35.0903 173.8215 36 N 5.0131 9.3065 124.9266 51.8904 42.0788 172.7540 37 I 4.8699 8.5677 126.6620 59.8979 39.6408 174.1853 38 H 4.8155 8.8615 127.8447 54.0811 31.9237 173.1649 39 L 4.2868 8.2981 128.3512 55.3783 42.0061 176.2585 40 S 4.5138 9.4381 123.9948 60.7632 63.9097 174.6448 41 E 4.6564 7.7977 117.8682 55.2489 32.9281 173.5981 42 I 4.6462 8.4433 127.6287 60.0515 37.4102 175.1169 43 D 4.9314 9.1387 127.2399 52.0491 43.2420 177.3296 44 Q 4.2630 8.6502 117.2797 58.7063 28.4676 176.9457 45 A 4.7188 7.5451 117.3035 51.4104 20.6915 174.5779 46 T 4.7064 7.3523 104.6636 60.2659 73.0819 172.2593 47 E 5.1067 9.1800 119.2790 54.9215 34.5963 174.6929 48 N 5.3433 9.2142 120.0498 51.6330 40.9975 173.8605 49 I 4.9573 8.8133 117.7495 58.7736 41.6817 174.5656 50 K 4.8151 8.9413 125.3417 55.0768 34.1422 174.9394 51 I 4.8294 8.7720 130.3143 60.3234 38.9072 175.0275 52 T 4.9586 8.9122 125.4056 62.0168 70.4924 173.8921 53 I 4.8764 9.0167 127.8525 59.3256 40.2936 174.3490 54 L 5.0068 8.6525 128.9871 53.2407 45.0802 176.3514 55 G 3.7225 7.8421 111.2650 45.9467 0.0000 170.6440 56 N 5.0034 8.3972 117.7460 53.0630 41.6935 175.0084 57 N 4.2161 8.7783 123.0005 54.6158 37.7933 173.6916 58 L 4.0903 8.4512 118.9170 54.8899 42.9107 178.1851 59 D 4.6834 8.4082 121.9819 52.7681 41.4122 176.2659 60 Y 4.0077 8.5250 128.0782 61.0045 38.8252 177.8263 61 E 3.9348 8.3572 118.6465 59.2372 29.5632 179.1150 62 Q 3.8814 8.2634 119.7306 59.2266 29.2223 178.2095 63 I 3.6570 7.9730 121.2892 64.0432 36.9812 178.3298 64 K 3.7918 8.3736 121.0074 59.2084 31.9794 178.9236 65 G 3.5715 8.0997 106.1038 47.9436 0.0000 175.4700 66 V 3.4997 7.4442 119.9791 65.7668 31.7241 177.8810 67 I 3.8019 7.6089 119.1143 64.4060 36.7102 178.3515 68 E 4.6608 8.0331 120.0885 58.5049 29.6603 179.9756 69 D 4.6348 8.4503 120.7396 53.6624 40.6549 177.6013 *71 G 3.8756 8.1339 107.8180 44.9078 0.0000 173.6147 72 G 4.3562 8.1021 108.1857 45.2272 0.0000 173.1853 73 V 4.8605 8.4587 118.5180 59.7724 35.1839 174.8383 74 I 4.4651 8.3822 124.0627 61.2290 36.9447 175.4550 75 H 4.7626 9.7087 127.0518 58.6266 29.3943 176.0504 76 S 4.5622 7.8530 109.7126 57.5378 66.0077 174.8839 77 V 4.4039 8.3581 121.9995 61.7740 30.9735 174.8168 78 D 4.6309 8.7791 129.0843 56.6368 41.7217 176.8896 79 E 4.7489 7.9662 117.8642 54.6060 33.4005 174.1444 80 V 4.9096 8.3789 125.0655 61.1067 34.8092 174.5127 81 V 4.6074 8.7895 126.5363 61.1386 34.5052 174.0155 82 A 4.9171 8.8648 127.5913 51.6881 22.2580 174.6398 83 G 3.8142 8.4245 105.0981 44.3762 0.0000 173.9335 84 K 4.2338 8.8591 118.1001 59.0264 32.4827 177.3289 85 I 4.4225 7.3553 117.2011 59.3691 39.1045 175.2617 86 I 4.0381 8.1716 124.5618 60.7269 37.4138 175.5891 87 V 4.3213 8.2222 125.2985 61.1120 33.1428 174.5597 88 E 4.6862 8.2916 125.2265 54.2314 31.6089 175.9856 89 S 4.2026 8.4258 116.2726 58.4843 63.2330 174.3161 90 V 3.9314 8.1976 124.3059 63.0250 31.3008 175.4978 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 S 8.33 4.37 0.00 3.85 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 1 L 8.28 4.38 0.00 1.76 1.59 0.92 0.60 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 2 K 8.71 4.37 0.00 1.87 1.90 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.37 7.81 3 G 8.23 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 4 L 8.37 4.38 0.00 1.86 1.65 0.98 0.85 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 5 R 9.34 4.77 0.00 1.79 1.96 0.00 3.35 0.00 0.00 3.38 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 6 R 7.68 5.18 0.00 1.85 1.71 0.00 3.12 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 7 L 9.09 5.37 0.00 1.66 1.58 1.16 0.56 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 8 V 8.54 4.84 2.18 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 0.99 0.00 0.00 0.94 0.00 0.00 9 L 9.25 5.18 0.00 1.61 1.58 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 10 D 9.22 4.88 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 11 V 8.80 4.85 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 0.89 0.00 0.00 0.96 0.00 0.00 12 L 8.54 5.21 0.00 1.55 1.19 0.97 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.59 4.95 0.00 1.78 1.64 0.00 0.61 0.00 0.00 0.91 0.00 0.00 2.39 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.08 1.24 7.81 14 P 0.00 4.80 0.00 2.41 2.02 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 15 H 8.51 4.13 0.00 3.16 3.35 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.43 4.77 0.00 1.79 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 0.00 2.27 2.37 0.00 17 P 0.00 4.67 0.00 2.27 2.11 0.00 3.96 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 2.23 1.97 0.00 18 K 8.39 4.21 0.00 1.89 1.80 0.00 1.70 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.46 7.81 19 T 8.64 3.88 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 1.08 0.00 0.00 20 I 7.80 3.78 1.90 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 1.55 0.73 0.93 0.00 0.00 21 V 8.28 3.70 2.32 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 0.99 0.00 0.00 0.98 0.00 0.00 22 F 8.36 3.97 0.00 3.24 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 23 A 8.26 4.04 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 24 L 7.88 3.97 0.00 1.79 1.73 0.97 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.69 3.83 0.00 1.81 1.76 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.46 7.81 26 L 8.18 4.15 0.00 1.86 1.71 1.01 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.43 4.32 0.00 4.05 4.21 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 0.00 0.00 0.00 0.00 28 E 7.55 4.40 0.00 2.12 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 0.00 2.32 2.54 0.00 29 L 7.53 4.18 0.00 1.85 1.57 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.47 3.84 0.00 1.92 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 2.30 2.35 0.00 31 N 7.99 5.01 0.00 3.05 2.95 0.00 0.00 5.59 7.68 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 32 V 7.46 4.67 2.22 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 0.90 0.00 0.00 0.94 0.00 0.00 33 D 8.98 4.58 0.00 2.58 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 34 G 7.57 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.33 5.04 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 0.85 0.00 0.00 0.98 0.00 0.00 36 N 9.31 5.01 0.00 2.76 2.61 0.00 0.00 6.93 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 37 I 8.57 4.87 1.87 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 1.25 0.82 0.86 0.00 0.00 38 H 8.86 4.82 0.00 3.26 3.14 0.00 5.77 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 39 L 8.30 4.29 0.00 1.61 1.47 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 40 S 9.44 4.51 0.00 3.84 3.90 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 41 E 7.80 4.66 0.00 2.00 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 2.26 2.31 0.00 42 I 8.44 4.65 1.87 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 1.34 0.71 0.96 0.00 0.00 43 D 9.14 4.93 0.00 2.84 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 44 Q 8.65 4.26 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 45 A 7.55 4.72 1.27 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 0.00 0.00 0.00 46 T 7.35 4.71 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 1.16 0.00 0.00 47 E 9.18 5.11 0.00 1.75 1.75 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 2.25 2.22 0.00 48 N 9.21 5.34 0.00 2.57 2.70 0.00 0.00 6.75 6.87 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 49 I 8.81 4.96 1.79 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.04 0.78 0.00 0.00 50 K 8.94 4.82 0.00 1.84 1.74 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.38 7.81 51 I 8.77 4.83 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 1.23 0.74 0.96 0.00 0.00 52 T 8.91 4.96 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 53 I 9.02 4.88 1.90 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 1.14 0.75 0.99 0.00 0.00 54 L 8.65 5.01 0.00 1.75 1.49 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.84 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 0.00 0.00 0.00 56 N 8.40 5.00 0.00 2.67 2.67 0.00 0.00 7.33 7.58 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 57 N 8.78 4.22 0.00 3.01 2.72 0.00 0.00 6.92 6.06 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 58 L 8.45 4.09 0.00 1.73 1.63 0.96 1.10 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 59 D 8.41 4.68 0.00 2.75 2.58 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 60 Y 8.53 4.01 0.00 3.16 3.03 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 61 E 8.36 3.93 0.00 2.17 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 2.51 2.36 0.00 62 Q 8.26 3.88 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 63 I 7.97 3.66 1.79 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 1.37 0.98 0.85 0.00 0.00 64 K 8.37 3.79 0.00 1.27 1.76 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.35 7.81 65 G 8.10 3.57 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 0.00 0.00 0.00 66 V 7.44 3.50 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 0.74 0.00 0.00 0.94 0.00 0.00 67 I 7.61 3.80 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.54 1.07 0.00 0.00 68 E 8.03 4.66 0.00 2.00 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 2.49 2.42 0.00 69 D 8.45 4.63 0.00 2.50 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 *71 G 8.13 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 72 G 8.10 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 0.00 0.00 0.00 0.00 73 V 8.46 4.86 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 0.76 0.00 0.00 0.97 0.00 0.00 74 I 8.38 4.47 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.58 1.05 0.00 0.00 75 H 9.71 4.76 0.00 3.13 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 7.85 4.56 0.00 3.86 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 77 V 8.36 4.40 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 0.80 0.00 0.00 0.96 0.00 0.00 78 D 8.78 4.63 0.00 2.65 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 79 E 7.97 4.75 0.00 2.00 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 2.27 2.30 0.00 80 V 8.38 4.91 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 0.82 0.00 0.00 0.90 0.00 0.00 81 V 8.79 4.61 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 0.95 0.00 0.00 0.94 0.00 0.00 82 A 8.86 4.92 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 83 G 8.42 3.81 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 0.00 0.00 0.00 84 K 8.86 4.23 0.00 1.76 1.87 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.46 7.81 85 I 7.36 4.42 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.82 0.91 0.00 0.00 86 I 8.17 4.04 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.36 0.91 0.00 0.00 87 V 8.22 4.32 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 0.82 0.00 0.00 0.98 0.00 0.00 88 E 8.29 4.69 0.00 1.98 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 2.23 2.21 0.00 89 S 8.43 4.20 0.00 3.82 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 90 V 8.20 3.93 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 0.83 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.