NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 H 4.7363 8.4449 117.3710 54.2199 29.5334 173.1870 3 L 4.3681 7.4184 121.8866 52.6578 43.1452 176.9485 4 T 4.2153 9.9897 115.6747 60.5811 71.9367 173.6816 5 P 4.2552 0.0000 0.0000 66.0181 31.2242 178.8417 6 E 4.0909 8.1085 116.7114 59.3199 29.4002 179.1153 7 E 3.9156 8.1717 118.8154 59.2083 29.4097 179.4763 8 K 3.8894 8.4719 118.9722 59.3769 32.1116 179.2901 9 S 4.0279 8.5417 113.6154 61.2340 62.1623 175.9477 10 A 3.9728 8.0841 123.5133 55.2660 18.1503 179.8742 11 V 3.2831 7.7360 116.8204 66.3036 31.7363 178.3671 12 T 4.1076 8.2386 109.5200 64.4679 68.5535 176.6712 13 A 4.0509 7.9363 123.1767 54.8419 18.6678 179.0671 14 L 3.8542 7.8788 119.0782 57.9766 42.1653 179.0037 15 W 4.3553 8.7527 128.4920 60.2752 30.4065 178.0459 16 G 3.7555 8.0707 104.7487 47.1179 0.0000 174.2314 17 K 4.3778 7.8253 118.0267 56.5543 32.8667 177.2376 18 V 3.5537 7.3845 119.9211 62.3906 31.9748 175.3271 19 N 4.4870 8.3170 125.2721 52.7572 37.9037 175.7104 20 V 3.7736 8.0381 118.9857 62.8348 31.9986 177.2471 21 D 4.6011 8.2468 119.1813 55.4579 41.4994 177.4205 22 E 4.4795 7.8371 117.6859 57.5647 31.4658 178.1821 23 V 3.6137 7.9099 118.3480 65.6942 31.4403 178.4215 24 G 3.7084 8.0801 105.4289 47.6646 0.0000 175.7906 25 G 3.6636 8.0518 107.7863 47.4288 0.0000 175.2331 26 E 3.8776 8.2952 121.3641 59.0415 29.5900 178.8681 27 A 3.9403 8.1295 120.9225 54.9841 18.4766 179.3888 28 L 3.9990 8.4337 119.5191 58.0922 42.1685 179.3671 29 G 3.6001 8.3054 105.9252 48.0632 0.0000 175.9183 30 R 3.9104 8.1723 121.0954 58.4883 29.9478 178.7627 31 L 4.0796 8.2444 120.6251 58.4707 42.1692 179.2480 32 L 4.0302 7.9502 119.8950 56.7792 41.2282 179.7094 33 V 3.5471 7.3678 117.7662 65.8387 31.6848 177.9730 34 V 3.5487 7.8479 116.9247 64.1651 32.8050 175.6020 35 Y 4.0374 7.3873 116.1939 54.5198 37.8361 174.2502 36 P 4.7347 0.0000 0.0000 64.3775 31.8846 178.4772 37 W 4.3875 8.1397 116.8218 59.6526 27.3722 177.8442 38 T 4.3521 7.6270 110.3598 64.1340 68.1388 176.1950 39 Q 4.2879 8.2273 121.3362 58.5097 28.3992 178.1855 40 R 3.7928 7.9270 119.4948 59.0996 30.0255 177.3956 41 F 4.3647 7.7757 114.4703 57.2995 39.4657 175.6452 42 F 4.6229 8.0701 118.3706 56.7543 39.9857 177.0134 43 E 4.0341 8.5484 122.9088 59.6785 29.3864 179.3606 44 S 4.2433 8.0179 110.5483 59.8497 63.3961 174.6064 45 F 4.6294 8.3982 119.4858 58.0143 40.1209 176.7269 46 G 3.9666 7.3485 110.0866 45.9932 0.0000 176.5318 47 D 4.5335 8.8415 129.0537 53.8893 40.4623 175.0896 48 L 4.8539 8.3343 127.4435 54.5137 42.5676 178.2233 49 S 4.3435 8.4229 116.4824 60.5074 63.5102 174.5014 50 T 4.7466 7.4067 110.2143 58.3726 73.0133 172.8014 51 P 4.1932 0.0000 0.0000 65.8849 31.4169 178.6590 52 D 4.3530 8.1476 117.0200 57.3935 40.4872 178.6888 53 A 4.0129 7.9613 120.6656 54.8527 18.7952 179.5885 54 V 3.6872 8.0042 116.9658 66.6647 31.4802 178.3648 55 M 4.2318 8.3004 117.3431 57.6774 31.8663 178.0557 56 G 3.9795 7.8570 103.3206 43.6697 0.0000 173.1611 57 N 4.4939 7.5605 121.3618 52.5232 39.4614 174.0238 58 P 4.2734 0.0000 0.0000 65.4952 31.3192 178.8091 59 K 3.7015 8.2581 117.6052 58.8729 31.6952 179.5710 60 V 3.6733 7.6941 118.2571 65.8497 31.5978 177.7944 61 K 3.8882 7.9622 119.0857 59.4595 31.8762 178.6379 62 A 3.9644 8.0820 121.0662 55.4374 18.3411 179.1436 63 H 4.3093 8.5873 117.1741 59.4052 29.9495 177.7529 64 G 3.7179 8.6253 107.9644 47.5321 0.0000 175.5646 65 K 4.0150 7.9948 121.8977 59.2776 32.1775 179.0785 66 K 3.9722 7.8339 118.8217 59.4083 32.1463 179.2791 67 V 3.6512 7.8438 118.4543 66.2543 31.4241 177.9046 68 L 4.5245 8.6313 120.4006 58.0400 41.8829 178.9333 69 G 3.8105 8.3874 105.8279 47.9110 0.0000 175.5058 70 A 3.9829 8.2083 123.0616 54.8110 18.3743 179.6935 71 F 4.1234 8.2880 115.9864 60.9695 38.7904 178.0391 72 S 4.1468 8.6171 113.9755 61.6778 62.8711 175.9564 73 D 4.5766 8.4090 120.9485 57.3056 40.9474 178.5793 74 G 3.8016 8.3641 106.4164 47.7570 0.0000 175.6097 75 L 3.9968 7.8633 119.8267 56.6328 41.6544 178.3333 76 A 4.3754 7.4003 118.5463 52.5498 19.9944 176.6658 77 H 4.9371 8.0255 115.3249 54.6883 29.8422 175.3167 78 L 4.0877 8.0671 119.4410 57.1969 41.8964 178.2315 79 D 4.7522 7.9615 116.2590 54.2369 42.0878 176.1273 80 N 5.0363 8.0201 117.7844 51.5129 39.2354 174.9944 81 L 4.2394 7.7515 121.5826 57.3498 42.1264 179.2287 82 K 4.0539 8.0045 118.9184 59.5531 32.7240 178.6973 83 G 3.6684 8.1719 105.5267 47.9683 0.0000 175.4234 84 T 3.6921 7.4748 116.7834 65.9073 68.7344 175.6014 85 F 4.4450 8.0145 116.7280 56.9625 39.2095 177.4635 86 A 3.9667 7.6304 122.8940 55.6876 18.2105 180.5433 87 T 4.0031 7.7644 107.6452 64.9304 68.9144 176.5802 88 L 4.0351 7.8245 121.3453 57.3704 41.6402 179.2313 89 S 4.2603 8.4602 115.0681 60.8110 62.3435 175.8878 90 E 4.0348 8.2292 121.3435 59.3007 29.1186 179.1646 91 L 3.8392 8.0010 120.1350 58.7247 42.2634 178.8723 92 H 4.1650 8.7324 116.3206 58.1147 28.2645 177.0270 93 C 4.2660 7.9032 119.4367 61.0789 28.4304 175.8513 94 D 4.2884 7.6911 119.0896 56.6450 40.9422 177.9093 95 K 4.1280 7.9266 118.5634 58.3335 32.7016 177.3015 96 L 4.3294 7.9326 116.7683 54.8843 42.2313 176.2505 97 H 4.4045 7.5892 114.1297 56.6126 26.7282 175.2605 98 V 3.7327 7.8928 118.5881 62.3368 32.2268 175.0454 99 D 4.2303 8.6582 127.0133 53.4640 41.8616 175.1016 100 P 2.9700 0.0000 0.0000 64.0902 32.0000 177.7588 101 E 3.8613 8.5377 120.7625 59.5359 29.2303 178.3196 102 N 4.5039 8.1884 116.0951 55.6777 38.5616 177.3786 103 F 4.4864 7.7355 119.9393 60.4595 38.9450 177.5322 104 R 3.9768 8.0148 117.9082 59.4521 29.9326 178.3818 105 L 3.9181 7.9588 118.7799 57.7400 41.4788 179.3286 106 L 4.1561 8.4031 120.6183 57.9973 42.0278 179.0808 107 G 3.8254 8.4034 105.7858 48.2031 0.0000 175.4417 108 N 4.4827 8.4900 118.9898 55.6927 38.4313 177.7721 109 V 3.6013 8.2439 120.2553 65.9057 31.5824 177.6335 110 L 3.8061 8.1549 120.3621 58.2396 41.7475 179.0219 111 V 3.4994 7.9185 117.9635 66.3667 31.4139 177.7531 112 C 4.0371 8.2682 116.4460 62.7375 27.8776 176.3463 113 V 3.4728 7.9569 120.0721 65.8875 31.0191 178.0773 114 L 3.7993 7.9241 118.8611 57.5965 41.2777 179.3360 115 A 3.5900 7.3114 120.7663 55.2931 18.0580 179.2301 116 H 4.1509 8.0115 115.7732 59.7282 30.0206 176.9492 117 H 3.9961 8.1999 117.2188 57.7553 28.9026 176.7788 118 F 4.7182 8.4910 118.0701 56.1762 40.0110 177.1260 119 G 3.7923 8.9288 108.4123 46.1688 0.0000 177.3190 120 K 3.9557 8.9098 124.0281 58.9161 32.1553 177.4619 121 E 4.0858 8.1138 118.8850 58.6418 30.0164 177.1338 122 F 4.4943 8.1633 123.3295 57.1450 37.8432 175.0452 123 T 4.2459 7.3103 115.8404 60.1765 71.4870 173.6672 124 P 4.1914 0.0000 0.0000 65.4685 31.3030 177.2549 125 P 4.2200 0.0000 0.0000 65.3788 31.2573 178.8594 126 V 3.5040 7.5813 117.0469 65.8371 31.4146 177.8087 127 Q 3.5383 7.9584 119.4966 59.0122 28.8814 178.1427 128 A 4.0306 8.0810 121.5112 55.0968 18.4433 179.4792 129 A 3.8683 7.9826 119.2264 55.6214 18.3908 179.5346 130 Y 3.8530 8.1892 115.1973 61.1799 37.8719 178.8537 131 Q 4.1100 8.7551 119.5845 58.8485 28.8151 178.8515 132 K 3.9691 8.0552 119.5399 59.3389 31.9846 179.5729 133 V 3.5310 7.6671 118.2623 66.2699 31.4679 178.6496 134 V 3.8195 8.3029 112.2131 64.1520 31.3000 178.4969 135 A 4.1203 8.3612 121.0421 55.0881 18.1735 179.9391 136 G 3.5121 8.1103 104.3039 47.7633 0.0000 176.1672 137 V 2.9535 7.9814 120.6668 65.4152 31.4958 177.9073 138 A 3.9029 8.0054 120.6139 55.3155 18.0388 179.1504 139 N 4.3611 8.3507 114.4179 56.6808 39.2744 176.6540 140 A 4.1091 8.0755 122.4169 55.0917 18.3500 179.4297 141 L 3.7781 7.9497 118.8674 57.5161 41.9136 177.9216 142 A 4.8020 7.7930 119.5421 52.4222 18.6656 178.3368 143 H 3.9800 8.0514 121.7589 59.8361 30.0203 177.4056 144 K 4.1553 7.8937 116.6592 58.0863 31.9645 177.1605 145 Y 4.5538 7.8130 116.6191 58.9736 38.5071 175.4646 146 H 4.6394 8.3363 122.5747 55.9416 28.8906 174.9162 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 H 8.44 4.74 0.00 2.95 2.98 0.00 7.16 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.42 4.37 0.00 1.64 1.56 0.86 0.54 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 4 T 9.99 4.22 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 1.19 0.00 0.00 5 P 0.00 4.26 0.00 2.16 2.14 0.00 3.58 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 6 E 8.11 4.09 0.00 1.98 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 0.00 2.38 2.38 0.00 7 E 8.17 3.92 0.00 2.23 1.92 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 2.28 2.31 0.00 8 K 8.47 3.89 0.00 1.85 1.81 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.51 7.81 9 S 8.54 4.03 0.00 3.87 4.01 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 10 A 8.08 3.97 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 11 V 7.74 3.28 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 0.65 0.00 0.00 0.31 0.00 0.00 12 T 8.24 4.11 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 1.25 0.00 0.00 13 A 7.94 4.05 1.42 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 0.00 0.00 0.00 14 L 7.88 3.85 0.00 1.86 1.91 0.16 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.75 4.36 0.00 3.80 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.07 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 17 K 7.83 4.38 0.00 2.12 2.08 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.58 7.81 18 V 7.38 3.55 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 -0.02 0.00 0.00 0.71 0.00 0.00 19 N 8.32 4.49 0.00 2.67 2.61 0.00 0.00 7.21 7.71 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 20 V 8.04 3.77 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 0.62 0.00 0.00 0.91 0.00 0.00 21 D 8.25 4.60 0.00 2.82 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.84 4.48 0.00 1.86 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 2.37 2.21 0.00 23 V 7.91 3.61 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 0.84 0.00 0.00 0.74 0.00 0.00 24 G 8.08 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 0.00 0.00 0.00 25 G 8.05 3.66 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 0.00 0.00 0.00 26 E 8.30 3.88 0.00 2.14 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 0.00 2.25 2.32 0.00 27 A 8.13 3.94 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 28 L 8.43 4.00 0.00 1.78 1.74 0.75 0.93 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 29 G 8.31 3.60 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 0.00 0.00 0.00 30 R 8.17 3.91 0.00 1.89 1.94 0.00 3.10 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 31 L 8.24 4.08 0.00 1.90 1.92 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.95 4.03 0.00 1.83 1.67 0.73 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.37 3.55 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 0.71 0.00 0.00 0.92 0.00 0.00 34 V 7.85 3.55 1.58 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 -0.13 0.00 0.00 0.73 0.00 0.00 35 Y 7.39 4.04 0.00 2.62 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.73 0.00 2.30 2.28 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.90 0.00 37 W 8.14 4.39 0.00 3.64 3.62 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 38 T 7.63 4.35 4.47 0.00 0.00 0.00 0.00 0.00 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 39 Q 8.23 4.29 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 40 R 7.93 3.79 0.00 1.78 1.67 0.00 3.11 0.00 0.00 2.91 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.45 0.00 41 F 7.78 4.36 0.00 2.45 2.38 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 42 F 8.07 4.62 0.00 2.94 2.30 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 43 E 8.55 4.03 0.00 2.08 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 2.37 2.37 0.00 44 S 8.02 4.24 0.00 4.12 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 45 F 8.40 4.63 0.00 3.29 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 46 G 7.35 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 47 D 8.84 4.53 0.00 2.67 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 48 L 8.33 4.85 0.00 1.67 1.64 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.42 4.34 0.00 4.00 4.05 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 0.00 0.00 0.00 0.00 50 T 7.41 4.75 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 1.21 0.00 0.00 51 P 0.00 4.19 0.00 2.15 2.10 0.00 3.59 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 2.08 2.14 0.00 52 D 8.15 4.35 0.00 2.67 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 53 A 7.96 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.00 3.69 2.20 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 1.06 0.00 0.00 0.99 0.00 0.00 55 M 8.30 4.23 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.88 0.00 56 G 7.86 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 57 N 7.56 4.49 0.00 3.02 2.82 0.00 0.00 7.14 7.06 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 P 0.00 4.27 0.00 2.13 2.04 0.00 3.60 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 59 K 8.26 3.70 0.00 1.33 0.74 0.00 1.64 0.00 0.00 1.17 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.15 1.22 7.81 60 V 7.69 3.67 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 1.11 0.00 0.00 1.06 0.00 0.00 61 K 7.96 3.89 0.00 1.86 1.87 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.42 1.44 7.81 62 A 8.08 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 63 H 8.59 4.31 0.00 3.63 3.60 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.63 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 65 K 7.99 4.01 0.00 1.98 2.03 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.67 7.81 66 K 7.83 3.97 0.00 1.94 1.86 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.63 7.81 67 V 7.84 3.65 2.36 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 1.29 0.00 0.00 1.08 0.00 0.00 68 L 8.63 4.52 0.00 2.04 1.80 1.17 0.90 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 69 G 8.39 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 70 A 8.21 3.98 1.42 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 0.00 0.00 0.00 71 F 8.29 4.12 0.00 3.48 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 72 S 8.62 4.15 0.00 4.19 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.41 4.58 0.00 2.84 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 74 G 8.36 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 0.00 0.00 0.00 75 L 7.86 4.00 0.00 1.53 1.49 -0.49 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.40 4.38 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 77 H 8.03 4.94 0.00 3.20 3.19 0.00 5.82 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 78 L 8.07 4.09 0.00 1.60 1.70 0.83 1.04 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 79 D 7.96 4.75 0.00 2.65 2.68 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 0.00 0.00 0.00 0.00 80 N 8.02 5.04 0.00 2.74 2.61 0.00 0.00 7.18 5.94 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 81 L 7.75 4.24 0.00 1.77 1.79 0.94 0.98 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 82 K 8.00 4.05 0.00 1.70 1.80 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.40 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.31 7.81 83 G 8.17 3.67 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 84 T 7.47 3.69 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 0.70 0.00 0.00 85 F 8.01 4.45 0.00 3.20 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 86 A 7.63 3.97 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 87 T 7.76 4.00 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 1.17 0.00 0.00 88 L 7.82 4.04 0.00 1.91 1.77 0.89 0.87 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 89 S 8.46 4.26 0.00 3.99 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 90 E 8.23 4.03 0.00 2.18 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 2.30 2.51 0.00 91 L 8.00 3.84 0.00 1.73 1.82 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.73 4.17 0.00 3.22 3.53 0.00 5.85 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 93 C 7.90 4.27 0.00 2.58 1.63 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 94 D 7.69 4.29 0.00 2.79 2.68 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 0.00 0.00 0.00 0.00 95 K 7.93 4.13 0.00 1.65 1.97 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.50 7.81 96 L 7.93 4.33 0.00 1.76 1.68 0.69 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.59 4.40 0.00 3.45 3.51 0.00 5.66 0.00 0.00 0.00 0.00 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.89 3.73 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 0.57 0.00 0.00 0.26 0.00 0.00 99 D 8.66 4.23 0.00 2.72 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 2.97 0.00 2.13 2.24 0.00 3.33 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.62 0.00 101 E 8.54 3.86 0.00 2.01 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 0.00 2.26 2.38 0.00 102 N 8.19 4.50 0.00 2.87 2.95 0.00 0.00 6.93 7.67 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 0.00 103 F 7.74 4.49 0.00 3.08 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 0.00 104 R 8.01 3.98 0.00 1.92 2.15 0.00 3.21 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 105 L 7.96 3.92 0.00 1.72 1.16 0.69 0.02 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 0.00 106 L 8.40 4.16 0.00 1.90 1.86 1.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.40 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 0.00 0.00 0.00 108 N 8.49 4.48 0.00 2.96 2.96 0.00 0.00 6.69 7.30 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 0.00 109 V 8.24 3.60 2.31 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 1.15 0.00 0.00 1.17 0.00 0.00 110 L 8.15 3.81 0.00 1.56 1.70 0.86 0.32 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 0.00 111 V 7.92 3.50 2.31 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 1.33 0.00 0.00 1.16 0.00 0.00 112 C 8.27 4.04 0.00 3.15 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 0.00 113 V 7.96 3.47 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 0.74 0.00 0.00 0.86 0.00 0.00 114 L 7.92 3.80 0.00 1.02 1.17 0.53 0.80 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 0.00 115 A 7.31 3.59 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 0.00 116 H 8.01 4.15 0.00 3.17 3.47 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.20 4.00 0.00 2.70 2.65 0.00 5.88 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.49 4.72 0.00 3.32 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 0.00 119 G 8.93 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.91 3.96 0.00 1.77 1.91 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.47 7.81 121 E 8.11 4.09 0.00 2.12 2.34 0.00 0.00 0.00 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 2.28 0.00 122 F 8.16 4.49 0.00 3.06 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 0.00 123 T 7.31 4.25 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 1.29 0.00 0.00 124 P 0.00 4.19 0.00 2.16 2.14 0.00 3.58 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 2.12 2.19 0.00 125 P 0.00 4.22 0.00 2.11 2.06 0.00 3.50 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 126 V 7.58 3.50 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 0.92 0.00 0.00 0.87 0.00 0.00 127 Q 7.96 3.54 0.00 1.78 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 128 A 8.08 4.03 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 0.00 129 A 7.98 3.87 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 0.00 130 Y 8.19 3.85 0.00 3.39 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 0.00 131 Q 8.76 4.11 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 132 K 8.06 3.97 0.00 1.97 1.83 0.00 1.75 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.61 7.81 133 V 7.67 3.53 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 1.07 0.00 0.00 0.77 0.00 0.00 134 V 8.30 3.82 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 0.88 0.00 0.00 1.15 0.00 0.00 135 A 8.36 4.12 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 0.00 136 G 8.11 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 7.98 2.95 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 -0.04 0.00 0.00 0.83 0.00 0.00 138 A 8.01 3.90 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.35 4.36 0.00 2.72 3.06 0.00 0.00 7.26 7.50 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 0.00 140 A 8.08 4.11 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 0.00 141 L 7.95 3.78 0.00 1.19 1.08 0.69 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.79 4.80 1.57 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 0.00 143 H 8.05 3.98 0.00 3.24 3.31 0.00 5.59 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.89 4.16 0.00 1.56 1.66 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.61 7.81 145 Y 7.81 4.55 0.00 3.18 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 0.00 146 H 8.34 4.64 0.00 3.16 3.19 0.00 5.69 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.