NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3381 0.0000 0.0000 62.7242 32.6457 174.7834 2 Q 4.3567 8.4601 119.4437 53.7655 30.2536 172.8985 3 I 4.4624 8.1084 126.2574 59.6063 40.5105 175.2931 4 T 4.3351 8.4037 115.7362 61.0849 70.1221 174.1669 5 L 4.6737 7.5919 117.6903 54.2237 42.4364 178.1610 6 W 4.3289 8.0089 121.1905 58.7300 29.1780 176.1918 7 K 4.7713 7.6995 115.3288 53.7009 34.9088 175.8553 8 R 3.9739 8.4678 119.6067 56.5107 30.8171 176.3960 9 P 4.6622 0.0000 0.0000 62.0256 29.6861 174.3452 10 L 4.8873 7.6626 123.4958 54.9563 43.2883 177.1090 11 V 4.6225 8.8277 115.8069 59.8832 36.6163 174.4747 12 T 4.8919 8.4484 118.6186 62.8928 69.5555 174.4890 13 I 4.8726 8.8976 118.6763 59.1635 41.5947 174.2105 14 R 5.0914 8.7658 121.9882 54.4981 32.9405 175.0419 15 I 4.4993 8.6837 123.9177 59.9503 41.7449 175.1092 16 G 4.0327 9.7940 116.7876 46.5517 0.0000 174.5071 17 G 3.9281 8.4671 106.1603 45.0795 0.0000 174.0249 18 Q 4.6491 7.8268 118.9837 53.8675 30.9609 174.5548 19 L 4.8659 8.2029 121.0163 54.4783 42.7853 176.2809 20 K 4.7061 9.0141 121.4316 54.9092 37.2363 174.5094 21 E 5.1087 8.6749 122.1878 55.0953 31.1414 174.8392 22 A 4.8492 8.9030 126.6852 50.5013 23.5958 174.5206 23 L 4.7597 8.9532 122.8214 53.8105 43.7557 175.7754 24 L 4.4310 8.6670 127.3784 54.8792 42.2925 176.5193 25 D 4.8052 9.0637 125.3864 52.1681 42.3496 176.3097 26 T 3.9360 8.6720 116.3303 63.8609 69.0990 175.7358 27 G 3.8100 8.0091 109.0896 45.4660 0.0000 172.6940 28 A 4.6480 7.7002 122.8752 49.9897 20.6295 177.9485 29 D 4.3980 8.9564 122.8147 56.7843 42.2575 175.9398 30 D 5.1129 8.0245 115.9946 52.6974 45.5622 174.8758 31 T 4.9101 7.9191 116.7373 62.1633 70.7253 174.3656 32 V 4.8769 8.7485 125.8076 61.2437 34.7891 174.1185 33 I 5.0871 8.9099 128.7764 58.8618 40.4984 175.1843 34 E 4.6932 9.1786 123.9998 55.7310 30.4108 176.6125 35 E 3.8305 8.7585 119.4401 57.2852 30.5383 176.3155 *37 N 4.6620 8.5941 119.8108 53.1588 39.9032 173.7956 38 L 4.6955 7.7401 119.8373 51.8184 45.4997 174.9013 39 P 4.4854 0.0000 0.0000 64.0010 33.3110 176.7493 40 G 3.9472 8.6167 111.3776 44.6794 0.0000 176.6027 *42 W 4.8093 8.5785 116.7814 55.8123 29.3144 173.7461 43 K 4.5900 8.6010 118.7105 54.2171 35.7643 173.9549 44 P 5.0251 0.0000 0.0000 63.3308 31.9698 176.2477 45 K 4.3029 8.6667 124.6765 55.6612 36.2748 174.8860 *47 I 4.2883 8.4585 110.8674 60.8350 38.6532 174.5053 48 G 3.4123 7.5576 108.8385 43.6064 0.0000 172.8052 49 G 3.7727 7.9413 108.0968 45.2767 0.0000 175.5704 50 I 3.5096 8.6004 120.7059 63.9773 38.1218 177.2734 51 G 4.0206 8.5857 106.1593 44.3650 0.0000 172.1805 52 G 3.9304 7.4688 104.5587 44.3354 0.0000 172.6712 53 F 5.0759 8.8304 119.1913 55.7842 41.2057 174.7553 54 I 4.8336 8.3768 116.4361 59.0913 40.7221 174.7527 55 K 4.7044 8.6079 122.4346 55.9659 33.3033 176.4644 56 V 4.6525 8.8787 116.6611 59.8180 36.9401 174.2585 57 R 4.5879 8.7849 121.3553 54.9630 31.9013 175.5683 58 Q 4.7377 9.3267 126.4513 55.1271 30.5352 173.5675 59 Y 5.0572 9.0244 125.2380 56.5702 40.1306 174.9757 60 D 5.0980 8.9058 123.4159 52.7630 43.5314 175.8556 61 Q 3.4343 8.3416 116.7251 57.2288 26.3383 174.2702 62 I 4.4001 7.9240 118.9345 59.2074 39.2371 175.2107 63 P 4.9496 0.0000 0.0000 62.6003 32.1890 176.1165 64 V 4.5460 9.0012 123.7989 61.1572 35.1846 173.3645 65 E 4.9194 9.1124 129.1247 54.4027 31.3532 176.1205 66 I 4.5461 8.7975 128.7449 61.3710 37.8626 177.3032 *68 G 3.9469 8.1057 107.5563 45.1396 0.0000 172.8306 69 H 4.8479 8.2864 118.2336 53.7305 30.7226 173.8477 70 K 4.8570 8.4761 122.9813 55.9237 33.1776 176.0036 71 A 4.9337 8.9492 124.2932 50.4938 23.3243 175.2924 72 I 4.8234 8.9724 120.2581 60.6452 40.7022 175.1006 73 G 4.0777 8.3081 114.4458 46.5505 0.0000 171.4630 74 T 4.8194 8.8003 117.4427 63.4912 69.5200 174.5255 75 V 4.4430 8.9722 125.8908 61.1021 34.6596 174.0201 76 L 5.1402 9.0182 128.3250 53.4136 43.9888 175.5947 77 V 4.7556 8.5601 123.4690 61.3644 34.2881 175.0364 78 G 3.8619 8.2820 113.7534 45.1321 0.0000 170.8469 79 P 5.2464 0.0000 0.0000 61.5925 30.1015 176.3756 80 T 4.1243 7.3090 114.0231 61.7842 68.5941 173.3166 81 P 4.3894 0.0000 0.0000 65.0381 31.7296 177.1195 82 V 4.5122 6.9162 112.5035 59.6740 34.5561 173.9824 83 N 4.8193 8.6997 119.9919 53.5185 39.7486 173.9518 84 I 4.9845 8.9976 116.7752 59.2101 41.5068 174.3390 85 I 4.4687 8.9461 127.0263 60.1946 38.5266 175.7744 86 G 4.6736 8.2818 115.6059 43.9024 0.0000 173.9706 87 R 4.0451 9.0129 118.6469 58.9156 30.2079 179.2321 88 N 4.3471 7.7896 114.9017 55.3453 37.4349 176.3627 89 L 4.4245 7.7677 117.5086 56.1228 42.4100 178.5747 90 L 4.0328 8.1815 119.6585 57.9448 41.6305 179.5870 91 T 3.9793 8.0778 109.7927 64.9639 68.3918 176.6480 92 Q 4.0703 7.7176 119.9784 58.1167 28.8101 177.6703 93 I 4.4053 7.2549 110.1095 59.4914 38.1034 172.4763 94 G 3.6056 7.4851 115.9842 45.6241 0.0000 173.3968 *96 T 4.1154 8.0096 114.5056 61.0503 69.9092 173.1675 97 L 4.6574 8.1787 121.7150 53.5827 43.1664 176.2147 98 N 5.0590 8.4671 119.0493 51.6739 42.5264 174.4872 99 F 4.4898 8.1816 116.0491 57.4092 37.5725 173.9225 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 1 P 0.00 4.34 0.00 2.20 2.16 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.97 0.00 2 Q 8.46 4.36 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 3 I 8.11 4.46 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 1.48 0.80 0.92 0.00 0.00 4 T 8.40 4.34 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 1.32 0.00 0.00 5 L 7.59 4.67 0.00 1.28 1.46 0.80 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.01 4.33 0.00 3.34 3.29 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 7 K 7.70 4.77 0.00 1.75 1.72 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.53 7.81 8 R 8.47 3.97 0.00 1.80 1.88 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 9 P 0.00 4.66 0.00 2.10 2.19 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.96 0.00 10 L 7.66 4.89 0.00 1.55 1.73 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.83 4.62 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 0.75 0.00 0.00 0.93 0.00 0.00 12 T 8.45 4.89 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 13 I 8.90 4.87 1.93 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 1.37 0.71 0.91 0.00 0.00 14 R 8.77 5.09 0.00 1.73 1.83 0.00 3.08 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 15 I 8.68 4.50 1.84 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 1.08 1.54 0.87 0.00 0.00 16 G 9.79 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 0.00 0.00 0.00 17 G 8.47 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 18 Q 7.83 4.65 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 19 L 8.20 4.87 0.00 1.52 1.58 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 K 9.01 4.71 0.00 1.62 1.61 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.72 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.34 7.81 21 E 8.67 5.11 0.00 1.96 1.82 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 2.21 2.29 0.00 22 A 8.90 4.85 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 23 L 8.95 4.76 0.00 1.72 1.67 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.67 4.43 0.00 1.55 1.61 0.91 0.90 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 25 D 9.06 4.81 0.00 2.73 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 26 T 8.67 3.94 4.23 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 1.20 0.00 0.00 27 G 8.01 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 28 A 7.70 4.65 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.96 4.40 0.00 2.61 2.73 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 30 D 8.02 5.11 0.00 2.55 2.54 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 31 T 7.92 4.91 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 1.23 0.00 0.00 32 V 8.75 4.88 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 0.99 0.00 0.00 0.92 0.00 0.00 33 I 8.91 5.09 1.83 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 1.26 0.81 0.87 0.00 0.00 34 E 9.18 4.69 0.00 1.91 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 2.33 2.12 0.00 35 E 8.76 3.83 0.00 1.91 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 2.35 2.32 0.00 *37 N 8.59 4.66 0.00 2.73 2.81 0.00 0.00 6.79 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 38 L 7.74 4.70 0.00 0.27 1.07 0.45 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.49 0.00 2.06 2.01 0.00 3.59 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 2.01 2.08 0.00 40 G 8.62 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 *42 W 8.58 4.81 0.00 2.86 1.74 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 43 K 8.60 4.59 0.00 1.78 1.81 0.00 1.31 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.33 1.43 7.81 44 P 0.00 5.03 0.00 2.03 2.18 0.00 3.65 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.27 0.00 45 K 8.67 4.30 0.00 1.86 1.59 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 *47 I 8.46 4.29 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 1.37 0.84 0.95 0.00 0.00 48 G 7.56 3.41 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 0.00 49 G 7.94 3.77 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 0.00 0.00 0.00 50 I 8.60 3.51 1.83 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 1.32 0.70 0.88 0.00 0.00 51 G 8.59 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.47 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 53 F 8.83 5.08 0.00 3.00 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 54 I 8.38 4.83 1.89 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 1.21 0.68 0.92 0.00 0.00 55 K 8.61 4.70 0.00 1.69 1.81 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.51 7.81 56 V 8.88 4.65 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 0.71 0.00 0.00 0.98 0.00 0.00 57 R 8.78 4.59 0.00 1.36 0.81 0.00 2.51 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.90 0.00 58 Q 9.33 4.74 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 59 Y 9.02 5.06 0.00 3.14 2.88 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 60 D 8.91 5.10 0.00 2.60 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 61 Q 8.34 3.43 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 62 I 7.92 4.40 1.98 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 1.44 1.20 0.87 0.00 0.00 63 P 0.00 4.95 0.00 1.93 1.99 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 64 V 9.00 4.55 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 0.93 0.00 0.00 0.98 0.00 0.00 65 E 9.11 4.92 0.00 2.08 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 66 I 8.80 4.55 1.88 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 1.23 0.65 0.91 0.00 0.00 *68 G 8.11 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 H 8.29 4.85 0.00 3.29 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.48 4.86 0.00 1.64 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.44 7.81 71 A 8.95 4.93 1.23 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 0.00 0.00 72 I 8.97 4.82 1.88 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 1.17 0.71 0.95 0.00 0.00 73 G 8.31 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 0.00 0.00 0.00 0.00 74 T 8.80 4.82 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 1.35 0.00 0.00 75 V 8.97 4.44 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 0.96 0.00 0.00 0.94 0.00 0.00 76 L 9.02 5.14 0.00 1.72 1.58 0.94 0.50 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 77 V 8.56 4.76 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 0.95 0.00 0.00 0.89 0.00 0.00 78 G 8.28 3.86 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 0.00 0.00 0.00 79 P 0.00 5.25 0.00 2.18 2.17 0.00 3.47 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 80 T 7.31 4.12 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 1.25 0.00 0.00 81 P 0.00 4.39 0.00 2.06 2.08 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 2.00 2.05 0.00 82 V 6.92 4.51 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 0.64 0.00 0.00 0.92 0.00 0.00 83 N 8.70 4.82 0.00 2.82 2.77 0.00 0.00 6.51 7.66 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 84 I 9.00 4.98 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 1.35 0.93 0.99 0.00 0.00 85 I 8.95 4.47 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 1.15 0.89 0.90 0.00 0.00 86 G 8.28 4.67 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 0.00 0.00 0.00 87 R 9.01 4.05 0.00 1.85 2.00 0.00 3.14 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 88 N 7.79 4.35 0.00 2.83 2.98 0.00 0.00 6.93 7.54 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 89 L 7.77 4.42 0.00 1.70 1.74 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.18 4.03 0.00 1.67 1.71 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.08 3.98 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 1.29 0.00 0.00 92 Q 7.72 4.07 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 93 I 7.25 4.41 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.51 0.93 0.00 0.00 94 G 7.49 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 *96 T 8.01 4.12 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 1.20 0.00 0.00 97 L 8.18 4.66 0.00 1.72 1.75 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.47 5.06 0.00 2.66 2.64 0.00 0.00 6.80 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 99 F 8.18 4.49 0.00 3.05 2.88 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 * Residues marked with a * may have inaccurate shift predictions.