NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2308 8.3149 119.9947 56.4120 33.9196 175.1588 3 N 4.5705 8.3345 117.3640 52.4387 40.3669 168.6859 4 V 4.5708 9.6319 122.3446 61.9607 34.0949 174.1987 5 L 4.9901 9.2077 127.9707 53.1713 44.0702 175.3548 6 I 4.8439 8.7703 124.6612 59.7216 40.0259 174.5651 7 I 4.8876 8.5442 129.1483 59.6842 39.3100 174.8070 8 F 5.6618 8.9141 127.0239 55.1201 41.1425 175.8056 9 G 4.2408 8.2128 108.9245 45.8469 0.0000 171.8306 10 K 4.7687 8.8193 120.1156 55.4870 32.2871 176.1706 11 P 4.3693 0.0000 0.0000 64.0037 32.0390 175.7165 12 Y 3.9762 8.3204 116.0520 59.2899 35.5735 169.5253 13 C 4.9466 7.1949 112.8838 56.1402 32.3475 175.0693 14 S 4.4172 8.2336 117.8795 60.8231 62.4387 177.2025 15 I 3.6539 7.3730 122.4749 64.5740 37.0145 177.7503 16 C 4.2383 7.9641 118.9768 61.6628 31.1314 174.5117 17 E 4.1156 7.9648 118.0688 57.9358 29.5831 178.4077 18 N 4.3447 7.8852 118.2658 56.1885 38.6398 177.4858 19 V 3.5613 7.6645 119.1559 66.0225 31.6859 178.1293 20 S 4.0980 8.2717 115.2015 61.6950 62.5071 176.0610 21 D 4.3098 7.8253 118.8226 57.6022 41.3100 178.1345 22 A 4.1097 8.0274 120.9076 54.8599 18.2330 179.3972 23 V 3.8588 7.7752 116.3741 65.1840 31.5081 177.6935 24 E 4.1210 8.3805 117.9182 58.3389 28.9940 177.6890 25 E 4.4526 7.5286 116.1772 56.6041 29.6654 176.7681 26 L 4.7453 8.1044 118.9086 54.0884 42.3728 178.2637 27 K 4.0615 7.6014 119.8124 59.8801 32.3239 178.4636 28 S 4.3307 8.0777 114.6871 60.1954 62.9917 174.3765 29 E 4.4891 8.2460 115.6453 55.5185 31.0936 175.0214 30 Y 5.0693 7.6496 115.9299 56.1581 42.8814 173.6708 31 D 4.8477 9.2244 121.3956 53.0524 42.8719 175.0621 32 I 4.7581 8.3876 127.1178 59.9788 38.8448 175.0060 33 L 4.7814 9.1968 128.3614 53.5486 45.3189 174.4845 34 H 5.1212 8.8928 122.6696 54.0939 31.0190 174.0918 35 V 4.0739 8.4934 123.6277 61.1086 33.1324 174.1309 36 D 5.1405 8.5713 128.6036 53.8071 41.8102 176.2522 37 I 4.0612 8.6195 125.4437 61.0239 37.0283 175.9655 38 L 4.4997 8.5855 127.2989 55.7620 42.7664 177.0466 39 S 4.7856 7.3289 110.5600 57.0656 65.4959 173.4046 40 F 4.9504 8.8088 120.5748 55.7903 42.3839 174.3285 41 F 4.9841 8.5451 123.4350 56.6264 42.1504 173.9386 42 L 4.0131 7.8202 128.1365 53.3774 41.6729 176.5205 43 K 3.9061 8.4694 125.6946 56.7372 32.2932 176.2771 44 D 4.2892 8.7247 127.1680 56.8704 41.2940 176.7000 *45 G 3.7603 7.9034 109.3174 45.3499 0.0000 172.1940 *56 G 3.9673 8.0860 109.0525 46.1974 0.0000 175.9336 57 T 4.0568 7.9533 115.7207 64.2738 68.4884 176.8901 58 L 3.8940 7.4980 123.8366 57.9885 42.7550 178.6350 59 I 4.1733 7.6626 112.5967 63.4567 37.7045 178.2849 60 G 3.5868 8.2188 108.0076 47.7924 0.0000 175.4378 61 N 4.3378 8.1675 118.4799 56.0716 38.5697 177.4317 62 F 4.0254 8.0927 117.5432 60.3246 38.8106 177.3773 63 A 4.0029 8.2572 119.4663 55.3938 18.5929 179.2557 64 A 3.9599 8.0127 119.0390 55.5675 18.5681 179.3596 65 H 4.1661 8.3646 116.7298 59.1474 29.7783 176.9519 66 L 4.2908 8.0365 120.0324 56.2777 41.0998 179.0788 67 S 3.9809 7.7739 114.9098 60.9675 62.6410 175.3308 68 N 4.6042 7.6169 116.7113 53.9678 38.1743 174.8246 69 Y 4.3036 7.3376 116.8799 57.4325 38.8944 175.2770 70 I 4.3207 7.4125 122.0140 60.2044 37.7398 175.4494 71 V 4.7753 8.4172 124.9279 61.3606 34.3176 174.5168 72 S 4.8452 9.2895 123.4715 56.7569 66.8017 173.0661 73 I 5.1085 7.8136 123.7540 59.5598 40.4491 174.4865 74 F 5.3655 9.3613 124.4073 55.6137 43.1744 174.0647 75 K 5.1886 9.0048 119.8159 54.9104 35.0182 175.2527 76 Y 5.0380 9.1555 124.2558 55.9724 42.3825 173.5588 77 N 4.9115 8.3237 125.7400 50.7227 39.2393 173.8677 78 P 4.0910 0.0000 0.0000 65.1023 32.0041 178.3408 79 Q 3.9837 8.0255 118.9158 59.1195 29.0720 176.9417 80 T 3.9937 8.4034 105.7524 61.5128 69.3755 175.2856 81 K 3.6025 7.8397 120.2117 57.3273 30.4955 175.7467 82 Q 4.2866 7.3179 119.4190 54.9157 31.7077 174.4363 *84 A 4.5527 8.3560 119.7021 52.6381 20.2995 175.6770 85 F 4.7627 9.2673 122.9090 56.6455 41.1355 175.1360 86 V 3.8123 6.7556 126.6767 60.8921 32.1415 175.0872 87 D 4.3736 8.5084 129.1051 54.2566 41.0818 175.4822 88 I 5.1193 7.9168 118.5814 59.9833 38.1785 177.0021 89 N 4.3732 7.8918 117.9433 55.6835 38.4139 175.8905 90 K 4.3129 7.5411 115.7929 56.3681 32.6287 177.1948 91 S 4.5114 8.1303 114.6914 58.1970 64.1792 173.8823 92 L 5.4918 7.4733 119.7393 53.2141 42.3382 175.8299 93 D 4.3596 8.0893 119.2930 52.5204 42.2202 176.8384 94 F 5.1933 8.2575 128.0633 57.9053 38.3497 176.4243 95 T 4.4512 8.6379 110.0709 63.0449 70.0715 174.3482 96 K 4.2825 7.9241 123.1327 55.0360 32.7769 176.7939 97 T 4.3858 8.3131 120.6188 62.9419 71.0369 172.8123 98 D 4.2590 8.3613 120.4101 56.3691 36.3786 174.0859 99 K 4.1292 7.8898 118.2509 56.8336 31.7123 175.1681 100 S 4.7323 7.5561 108.8479 57.3655 64.4155 174.8213 101 L 4.3715 8.0441 121.6903 56.6656 42.5247 177.0368 102 V 4.7910 7.7185 117.5237 60.9479 33.8611 174.3913 103 N 4.6445 8.8295 126.9655 52.3894 39.8263 174.9223 104 L 3.9395 8.7902 128.5739 58.3511 42.4664 178.4800 105 E 3.9333 8.1654 117.9280 59.4593 29.3351 179.6203 106 I 3.6717 7.6356 119.2610 64.2246 37.2952 177.8479 107 L 3.9550 7.8260 121.1015 58.0519 41.9065 178.5588 108 K 3.8404 9.0596 120.7117 59.8796 31.9736 178.7205 109 S 4.1671 8.1383 114.1465 61.4025 62.7276 176.0350 110 E 3.9232 8.9755 123.3913 59.3198 28.9719 179.5457 111 I 3.6865 7.8947 119.0670 64.3513 37.2249 178.0827 112 E 4.3925 7.9260 119.8571 58.7554 29.4427 179.2491 113 K 4.1898 8.3813 117.7802 57.6624 32.2790 177.7060 114 A 3.9514 7.0347 121.4467 52.7390 18.6191 176.8827 115 T 4.5743 8.2333 112.9696 60.2567 70.9510 174.0960 116 Y 4.4274 8.3605 120.5535 57.6186 39.2091 174.6806 117 G 4.1296 7.9585 109.0312 45.8859 0.0000 172.7941 118 V 4.2375 8.3859 112.1629 59.3017 33.4074 175.5315 119 W 5.1380 8.1827 122.1207 53.7462 32.3228 174.1093 120 P 4.4924 0.0000 0.0000 63.5186 30.7655 176.5681 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 K 8.31 4.23 0.00 2.01 1.83 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.58 7.81 3 N 8.33 4.57 0.00 3.09 3.16 0.00 0.00 6.44 6.79 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 4 V 9.63 4.57 2.33 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 1.15 0.00 0.00 1.10 0.00 0.00 5 L 9.21 4.99 0.00 1.53 1.46 0.69 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.77 4.84 2.12 0.00 0.00 1.00 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 0.65 0.82 0.00 0.00 7 I 8.54 4.89 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.76 0.94 0.00 0.00 8 F 8.91 5.66 0.00 3.19 3.08 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 9 G 8.21 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 0.00 0.00 0.00 0.00 10 K 8.82 4.77 0.00 1.72 1.84 0.00 1.94 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.75 1.62 7.81 11 P 0.00 4.37 0.00 2.49 2.60 0.00 4.02 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 12 Y 8.32 3.98 0.00 3.14 3.10 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 0.00 0.00 0.00 0.00 13 C 7.19 4.95 0.00 2.87 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 14 S 8.23 4.42 0.00 3.81 3.91 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 15 I 7.37 3.65 1.81 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.34 0.92 0.00 0.00 16 C 7.96 4.24 0.00 3.00 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 17 E 7.96 4.12 0.00 2.11 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 2.45 2.28 0.00 18 N 7.89 4.34 0.00 2.99 2.91 0.00 0.00 6.46 8.65 0.00 0.00 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 V 7.66 3.56 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 1.03 0.00 0.00 1.04 0.00 0.00 20 S 8.27 4.10 0.00 3.94 3.96 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 0.00 0.00 0.00 21 D 7.83 4.31 0.00 3.02 2.70 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 0.00 0.00 0.00 0.00 22 A 8.03 4.11 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 23 V 7.78 3.86 2.29 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 1.09 0.00 0.00 0.94 0.00 0.00 24 E 8.38 4.12 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.50 0.00 25 E 7.53 4.45 0.00 2.18 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 2.33 2.28 0.00 26 L 8.10 4.75 0.00 1.96 1.86 1.06 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.60 4.06 0.00 1.87 2.08 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.45 7.81 28 S 8.08 4.33 0.00 3.87 3.96 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 0.00 0.00 0.00 29 E 8.25 4.49 0.00 1.68 1.87 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 2.29 1.99 0.00 30 Y 7.65 5.07 0.00 3.00 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 31 D 9.22 4.85 0.00 2.78 2.61 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 32 I 8.39 4.76 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.77 0.79 0.00 0.00 33 L 9.20 4.78 0.00 1.65 1.58 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.89 5.12 0.00 2.97 3.16 0.00 5.91 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 35 V 8.49 4.07 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 0.00 0.00 0.85 0.00 0.00 0.27 0.00 0.00 36 D 8.57 5.14 0.00 2.63 2.64 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 37 I 8.62 4.06 2.02 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 1.36 0.67 0.35 0.00 0.00 38 L 8.59 4.50 0.00 1.62 1.73 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.33 4.79 0.00 3.98 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 40 F 8.81 4.95 0.00 3.04 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 41 F 8.55 4.98 0.00 2.90 2.97 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 0.00 0.00 0.00 0.00 42 L 7.82 4.01 0.00 1.34 1.38 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.47 3.91 0.00 1.71 1.73 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.53 7.81 44 D 8.72 4.29 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 *45 G 7.90 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 *56 G 8.09 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.95 4.06 4.25 0.00 0.00 0.00 0.00 0.00 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 58 L 7.50 3.89 0.00 1.81 1.68 1.01 0.97 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 59 I 7.66 4.17 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 1.46 1.01 0.89 0.00 0.00 60 G 8.22 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 61 N 8.17 4.34 0.00 2.94 2.72 0.00 0.00 7.14 8.13 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 62 F 8.09 4.03 0.00 3.21 3.07 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 0.00 0.00 0.00 0.00 63 A 8.26 4.00 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 64 A 8.01 3.96 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 65 H 8.36 4.17 0.00 3.21 3.42 0.00 5.61 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.04 4.29 0.00 1.88 1.67 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.77 3.98 0.00 2.72 3.30 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 68 N 7.62 4.60 0.00 2.39 2.60 0.00 0.00 6.81 6.93 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 69 Y 7.34 4.30 0.00 2.80 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 70 I 7.41 4.32 2.15 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.60 1.08 0.00 0.00 71 V 8.42 4.78 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 0.87 0.00 0.00 1.05 0.00 0.00 72 S 9.29 4.85 0.00 4.02 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.81 5.11 1.60 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.63 0.76 0.00 0.00 74 F 9.36 5.37 0.00 3.20 3.18 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 75 K 9.00 5.19 0.00 1.32 1.78 0.00 1.61 0.00 0.00 1.34 0.00 0.00 2.71 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.12 1.17 7.81 76 Y 9.16 5.04 0.00 3.06 2.84 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 77 N 8.32 4.91 0.00 1.77 2.12 0.00 0.00 7.09 7.61 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 78 P 0.00 4.09 0.00 2.05 2.18 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 79 Q 8.03 3.98 0.00 1.90 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 80 T 8.40 3.99 4.10 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 0.00 0.00 0.00 1.04 0.00 0.00 81 K 7.84 3.60 0.00 1.87 1.99 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.39 7.81 82 Q 7.32 4.29 0.00 1.90 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.56 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 *84 A 8.36 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 9.27 4.76 0.00 3.15 2.98 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 86 V 6.76 3.81 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 0.63 0.00 0.00 0.71 0.00 0.00 87 D 8.51 4.37 0.00 2.81 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.92 5.12 1.80 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 1.33 1.08 0.76 0.00 0.00 89 N 7.89 4.37 0.00 2.75 2.85 0.00 0.00 6.88 7.49 0.00 0.00 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 K 7.54 4.31 0.00 2.04 1.80 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.33 7.81 91 S 8.13 4.51 0.00 4.15 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 0.00 92 L 7.47 5.49 0.00 1.66 1.69 0.48 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.09 4.36 0.00 2.57 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.26 5.19 0.00 3.06 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 95 T 8.64 4.45 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 1.26 0.00 0.00 96 K 7.92 4.28 0.00 1.87 1.80 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.47 7.81 97 T 8.31 4.39 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 1.24 0.00 0.00 98 D 8.36 4.26 0.00 2.91 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 99 K 7.89 4.13 0.00 1.95 1.81 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.38 1.40 7.81 100 S 7.56 4.73 0.00 3.94 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 0.00 101 L 8.04 4.37 0.00 1.73 1.88 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.72 4.79 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 0.78 0.00 0.00 0.96 0.00 0.00 103 N 8.83 4.64 0.00 2.79 2.65 0.00 0.00 6.50 6.29 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 0.00 104 L 8.79 3.94 0.00 1.75 1.62 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.17 3.93 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 106 I 7.64 3.67 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 1.51 0.92 0.95 0.00 0.00 107 L 7.83 3.96 0.00 1.82 1.86 0.86 0.60 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 0.00 108 K 9.06 3.84 0.00 1.84 2.02 0.00 1.70 0.00 0.00 1.95 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.52 7.81 109 S 8.14 4.17 0.00 4.10 4.17 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 0.00 110 E 8.98 3.92 0.00 2.03 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 2.30 2.50 0.00 111 I 7.89 3.69 2.02 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 1.35 0.46 0.64 0.00 0.00 112 E 7.93 4.39 0.00 2.02 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 0.00 2.54 2.54 0.00 113 K 8.38 4.19 0.00 1.69 1.88 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.82 1.60 7.81 114 A 7.03 3.95 1.20 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 0.00 0.00 0.00 115 T 8.23 4.57 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 1.29 0.00 0.00 116 Y 8.36 4.43 0.00 2.96 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 0.00 117 G 7.96 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 0.00 118 V 8.39 4.24 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 0.77 0.00 0.00 1.00 0.00 0.00 119 W 8.18 5.14 0.00 3.36 2.97 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 0.00 0.00 0.00 0.00 120 P 0.00 4.49 0.00 2.10 2.04 0.00 3.88 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 2.06 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.