NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1519 8.2644 123.5803 52.2413 21.0856 177.3195 *2 S 4.5362 7.9444 110.4552 58.1395 64.3604 175.6963 3 K 3.9843 7.9147 118.9809 59.5360 31.7901 179.3047 4 L 4.0054 7.7984 118.7503 57.7161 41.5947 179.1012 5 N 4.3571 8.1372 116.0306 56.4092 38.5035 177.4269 6 R 4.0866 8.1699 119.3802 59.3764 30.2011 179.1565 7 I 3.9018 7.9938 119.5682 64.3876 36.9047 178.3469 8 R 3.8684 7.9148 118.3045 59.9747 30.3253 178.0360 9 H 4.1819 8.3200 115.8687 58.9804 28.6448 177.2979 10 H 4.1285 8.5973 120.3262 59.1497 29.4944 177.1909 11 L 3.9235 8.0188 120.8635 58.1566 41.1459 179.2241 12 H 4.2688 7.5769 114.9304 58.7178 28.6130 177.8284 13 S 4.2362 7.7443 116.3116 61.3639 62.8535 175.6982 14 V 4.2391 7.1107 111.6898 61.8394 33.4641 175.9988 15 Q 4.2709 7.9761 119.2622 56.1541 28.9548 174.6724 16 A 4.6127 7.7805 118.9897 50.8395 19.9639 177.9562 17 E 4.6234 8.4315 121.3227 57.3572 31.2567 175.8908 18 L 4.7129 7.4326 120.1937 53.5257 45.8439 173.6456 19 A 4.8814 8.8254 127.0293 49.9098 22.2414 175.1494 20 V 4.5014 8.5232 121.8730 61.1411 34.0730 174.2676 21 F 5.1210 9.0812 127.8280 56.2356 40.4542 177.0972 22 S 4.5642 9.1455 114.2550 57.2522 64.8896 174.2853 23 D 4.5232 8.9417 122.2681 53.4332 41.8074 174.6305 24 P 4.0208 0.0000 0.0000 65.7160 31.1940 178.7940 25 V 3.7856 8.2434 116.9199 66.2811 31.4984 178.2919 26 T 3.8950 8.0162 114.9876 66.7091 68.5465 176.6275 27 V 3.6134 8.2361 120.5803 66.0503 31.4795 177.5577 28 N 4.6255 8.3141 118.1074 56.3591 38.7611 176.1183 29 Y 4.1542 8.3700 121.1349 60.7866 38.6476 178.0152 30 L 4.0437 7.9995 118.6539 56.5562 41.9287 177.7812 31 T 4.5233 7.7608 105.3493 60.0539 70.2871 175.2116 32 G 3.8945 8.7036 109.7920 45.1749 0.0000 172.6436 33 F 4.7131 8.2583 123.1507 56.3094 40.2016 173.9859 34 F 4.4567 8.2290 130.4191 56.2528 40.5789 174.3366 35 C 4.1110 7.1813 127.2036 57.7950 34.1705 172.2843 36 D 4.4383 8.2795 127.1543 51.9420 40.9624 173.8635 37 P 4.4959 0.0000 0.0000 62.8669 33.5529 178.5962 38 H 3.7611 8.2304 117.0553 57.1048 28.3080 176.7188 39 E 4.0839 9.3489 129.3603 59.6482 29.7347 176.1736 40 R 4.3021 7.6871 117.1948 55.9608 30.8013 175.2492 41 Q 4.1441 8.5571 119.1707 54.3671 30.9468 175.2185 *43 F 4.7207 8.0701 115.9492 57.5630 40.7922 174.2368 44 L 5.0466 8.9351 125.3074 53.6329 43.9148 175.0587 45 F 4.9331 9.4837 126.9543 56.3580 40.6362 175.3877 46 V 4.4582 8.8303 125.9268 61.4108 32.6338 174.5760 47 Y 4.9171 8.5118 125.6922 57.1558 38.6200 176.0402 48 E 4.2408 8.7874 119.7892 58.3259 30.2316 177.3726 49 D 4.8709 8.0113 116.9380 52.3220 40.4792 174.4064 50 R 4.5078 7.5128 114.6569 55.4437 31.9207 173.9649 51 D 4.4872 8.4052 117.8496 53.6557 41.2555 174.8862 52 P 4.6821 0.0000 0.0000 62.8803 32.5126 175.7163 53 I 5.1189 8.9275 121.5876 59.7517 41.0560 174.1937 54 L 5.3273 9.4973 129.3614 53.4647 44.1354 174.5209 55 F 5.1634 9.3737 129.2142 56.6069 41.3229 174.7670 56 V 4.4842 7.8831 117.8105 58.6302 36.7133 173.1887 57 P 4.0380 0.0000 0.0000 62.2519 32.0590 177.6512 58 A 3.8997 8.2911 123.6999 55.5329 17.9397 180.3932 59 L 4.0225 7.7319 115.6146 56.9504 41.9569 178.1834 60 E 4.5031 8.1713 117.6068 56.2125 29.8899 177.9138 61 V 3.4724 7.3487 119.4427 65.9771 31.7096 177.6557 62 S 4.0237 7.9728 112.1804 61.4978 62.2002 175.8817 63 R 3.9314 8.0312 120.5953 59.3725 29.8078 178.0747 64 A 2.9830 8.1315 120.7581 54.8930 18.0717 179.8560 65 K 3.8108 7.9259 115.7684 59.2545 32.1510 179.0243 66 Q 4.1666 7.6927 116.2408 57.3775 28.8275 176.7185 67 S 4.6185 7.2263 114.6491 58.6711 64.6864 174.8381 68 V 4.1733 7.4470 112.0713 58.6872 33.9757 173.8918 69 P 4.3926 0.0000 0.0000 63.2294 31.9536 175.4449 70 F 4.9573 6.5241 114.1219 54.4652 40.5337 173.6045 71 P 4.5681 0.0000 0.0000 63.0287 32.2389 175.9042 72 V 5.2575 8.5047 122.6612 61.2616 34.5997 174.2130 73 F 5.2531 9.6346 121.4356 55.8360 42.1700 173.0302 74 G 4.8483 8.6802 105.3487 45.4279 0.0000 171.2316 75 Y 5.4128 8.0560 116.3379 55.2932 41.5994 175.3551 76 I 4.2790 8.9492 116.0538 59.7175 39.1160 176.6436 77 D 4.3344 8.3359 120.4845 57.0302 40.6712 177.9794 78 S 4.4006 8.0094 111.6089 59.2081 63.6834 173.7281 79 E 4.5415 7.9316 121.4148 54.9925 30.9164 175.8601 80 N 4.5693 8.6334 121.1148 52.6515 39.7414 174.2310 81 P 3.9324 0.0000 0.0000 65.4281 31.2871 178.5367 82 W 4.2745 7.4407 118.3604 59.7576 29.0888 178.3069 83 Q 4.0115 8.5605 118.1086 58.6735 27.8566 178.6892 84 K 4.0282 8.1205 120.6989 59.5847 32.2729 178.9194 85 I 3.7738 7.8564 120.0231 64.4596 36.8214 178.3367 86 A 3.7216 7.8626 120.1659 54.8908 18.2206 179.1848 87 S 4.3852 8.0357 111.7035 59.7526 63.2727 174.7606 88 N 4.6299 7.3943 117.6296 53.8165 40.3024 175.6746 89 L 3.9616 7.6883 117.5797 54.0355 42.0507 175.6169 90 P 4.2918 0.0000 0.0000 64.5236 31.9601 176.3557 91 S 4.4321 6.9126 112.0634 56.8703 65.1300 173.0518 92 F 5.1193 8.5237 122.3771 57.1282 40.8943 176.7478 93 S 4.5994 7.6834 118.0542 58.3587 59.9315 173.6178 94 V 4.7360 7.7697 115.8163 59.2884 35.2503 175.5020 95 S 4.6454 9.5631 115.4816 58.9057 66.0516 173.9860 96 K 4.9251 8.1205 120.9220 54.2266 35.4830 174.9969 97 V 4.4631 8.3814 127.3558 60.8637 34.3002 174.1674 98 L 4.7584 8.5312 128.0023 54.0357 43.2151 175.7182 99 A 5.0340 8.4739 123.6380 49.6741 23.7986 175.3051 100 E 4.5290 8.6597 119.2163 55.0109 28.1938 177.4784 101 F 4.5750 9.2142 123.1875 60.2453 39.3908 176.7939 102 D 4.5712 8.1931 118.6078 55.7408 41.1529 176.0639 103 N 4.7446 7.9519 115.7287 54.5627 40.8595 174.5572 104 L 4.1087 8.3104 120.7820 54.8821 42.4972 176.9380 105 N 4.7229 8.6402 124.1299 52.1667 39.8302 176.1985 106 V 3.6306 8.1743 119.5982 66.2794 31.6088 177.8475 107 T 3.8722 8.0126 115.0865 66.8699 68.3244 176.5297 108 K 4.4629 9.1417 120.5884 59.2358 32.1268 179.2587 109 F 4.1825 8.5199 121.2652 61.5706 39.0984 177.3073 110 Q 3.8527 7.5715 118.0932 57.8971 28.7647 178.6046 111 G 2.0000 7.3773 106.7508 47.1163 0.0000 175.7399 112 L 4.1275 7.4265 121.8681 57.4804 41.4764 179.6974 113 Q 3.9431 7.5457 118.0024 58.6023 28.2741 178.5036 114 T 3.9457 7.1961 109.6724 63.5602 68.9359 176.2489 115 V 3.7181 7.3246 119.8621 62.8840 32.3221 175.4744 116 F 4.9492 7.8468 117.0411 55.8546 40.6468 175.8899 117 D 4.7040 8.7090 127.2219 52.3155 39.4652 174.4713 118 G 4.2126 7.7387 109.3497 44.8169 0.0000 168.6968 119 H 4.8968 9.2370 120.7954 55.6248 30.9380 173.9536 120 F 5.2285 9.0856 124.7776 56.4268 40.4387 174.7895 121 E 4.6011 8.8625 120.0317 54.0533 33.4837 174.3611 122 N 4.2486 7.6373 118.2894 52.3262 39.8203 174.2750 123 L 4.1023 8.2658 122.4820 55.3205 42.4135 177.6791 124 T 4.1868 8.4744 111.7597 60.6339 69.9691 173.5319 125 P 4.2075 0.0000 0.0000 66.0034 30.9880 178.1324 126 Y 4.0986 8.0087 116.8170 60.9573 38.7388 178.0492 127 I 3.7237 7.2004 117.7431 64.3498 37.3179 177.9600 128 Q 4.1480 8.0370 117.9624 58.2715 29.9774 178.3023 129 N 4.5005 7.7589 118.4753 51.5745 35.4462 175.2269 *131 R 3.8360 7.5910 122.6359 56.2886 30.2362 174.8030 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 A 8.26 4.15 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 *2 S 7.94 4.54 0.00 3.90 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 3 K 7.91 3.98 0.00 1.68 1.72 0.00 1.24 0.00 0.00 0.78 0.00 0.00 2.55 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.39 1.38 7.81 4 L 7.80 4.01 0.00 1.67 1.66 0.92 0.59 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 5 N 8.14 4.36 0.00 2.93 2.95 0.00 0.00 7.15 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 6 R 8.17 4.09 0.00 2.20 2.21 0.00 3.27 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 7 I 7.99 3.90 2.10 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 1.55 1.08 1.16 0.00 0.00 8 R 7.91 3.87 0.00 1.91 2.06 0.00 3.27 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 9 H 8.32 4.18 0.00 3.38 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 8.60 4.13 0.00 3.29 3.69 0.00 5.79 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 11 L 8.02 3.92 0.00 1.82 1.88 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 12 H 7.58 4.27 0.00 3.26 3.33 0.00 5.68 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 13 S 7.74 4.24 0.00 3.86 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 14 V 7.11 4.24 2.02 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 0.57 0.00 0.00 0.94 0.00 0.00 15 Q 7.98 4.27 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 16 A 7.78 4.61 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.43 4.62 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 2.29 0.00 18 L 7.43 4.71 0.00 1.41 1.08 0.22 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.83 4.88 0.96 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 0.00 0.00 20 V 8.52 4.50 2.02 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 0.77 0.00 0.00 0.83 0.00 0.00 21 F 9.08 5.12 0.00 3.05 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 22 S 9.15 4.56 0.00 3.97 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 0.00 23 D 8.94 4.52 0.00 2.79 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 24 P 0.00 4.02 0.00 1.89 1.41 0.00 3.59 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 1.94 1.98 0.00 25 V 8.24 3.79 2.27 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 1.15 0.00 0.00 1.06 0.00 0.00 26 T 8.02 3.89 4.56 0.00 0.00 0.00 0.00 0.00 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 27 V 8.24 3.61 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 1.16 0.00 0.00 1.08 0.00 0.00 28 N 8.31 4.63 0.00 3.19 3.14 0.00 0.00 6.42 6.84 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 29 Y 8.37 4.15 0.00 3.08 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 30 L 8.00 4.04 0.00 1.70 1.57 -0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.76 4.52 4.38 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 1.48 0.00 0.00 32 G 8.70 3.89 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 0.00 0.00 0.00 33 F 8.26 4.71 0.00 3.09 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 34 F 8.23 4.46 0.00 3.07 2.75 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 0.00 0.00 0.00 35 C 7.18 4.11 0.00 2.30 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 36 D 8.28 4.44 0.00 2.51 2.57 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 37 P 0.00 4.50 0.00 2.25 2.17 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 38 H 8.23 3.76 0.00 3.31 2.64 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 9.35 4.08 0.00 1.97 2.02 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 2.36 2.40 0.00 40 R 7.69 4.30 0.00 2.01 1.89 0.00 3.08 0.00 0.00 2.99 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 41 Q 8.56 4.14 0.00 1.86 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.41 0.00 0.00 0.00 0.00 0.00 1.97 1.70 0.00 *43 F 8.07 4.72 0.00 2.69 2.21 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 44 L 8.94 5.05 0.00 1.87 1.74 1.10 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.48 4.93 0.00 3.17 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 46 V 8.83 4.46 2.24 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 1.11 0.00 0.00 1.14 0.00 0.00 47 Y 8.51 4.92 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 48 E 8.79 4.24 0.00 2.04 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 0.00 2.50 2.33 0.00 49 D 8.01 4.87 0.00 2.73 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 50 R 7.51 4.51 0.00 1.85 1.84 0.00 2.43 0.00 0.00 2.97 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 51 D 8.41 4.49 0.00 2.75 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 52 P 0.00 4.68 0.00 0.49 1.59 0.00 3.23 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.83 0.00 53 I 8.93 5.12 2.29 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.89 1.45 0.00 0.00 54 L 9.50 5.33 0.00 2.16 1.74 1.08 0.64 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 55 F 9.37 5.16 0.00 2.88 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 56 V 7.88 4.48 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 0.75 0.00 0.00 0.75 0.00 0.00 57 P 0.00 4.04 0.00 1.99 1.63 0.00 3.51 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 58 A 8.29 3.90 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 59 L 7.73 4.02 0.00 1.55 1.71 0.86 0.83 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 60 E 8.17 4.50 0.00 2.09 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 0.00 2.24 2.46 0.00 61 V 7.35 3.47 2.15 0.00 0.00 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 0.89 0.00 0.00 62 S 7.97 4.02 0.00 3.92 3.84 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 63 R 8.03 3.93 0.00 2.00 2.23 0.00 3.31 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.82 0.00 64 A 8.13 2.98 0.68 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 0.00 0.00 65 K 7.93 3.81 0.00 1.82 1.84 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.57 7.81 66 Q 7.69 4.17 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 67 S 7.23 4.62 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.45 4.17 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 0.49 0.00 0.00 0.40 0.00 0.00 69 P 0.00 4.39 0.00 2.19 2.12 0.00 3.27 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 70 F 6.52 4.96 0.00 3.23 3.17 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 71 P 0.00 4.57 0.00 2.30 2.14 0.00 4.05 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 2.23 2.19 0.00 72 V 8.50 5.26 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 0.80 0.00 0.00 0.90 0.00 0.00 73 F 9.63 5.25 0.00 3.34 3.14 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 0.00 0.00 0.00 0.00 74 G 8.68 4.85 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 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.06 5.41 0.00 3.26 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 76 I 8.95 4.28 1.82 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 1.50 0.74 0.87 0.00 0.00 77 D 8.34 4.33 0.00 2.65 2.76 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 78 S 8.01 4.40 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.54 0.00 2.38 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 2.37 2.32 0.00 80 N 8.63 4.57 0.00 2.83 2.77 0.00 0.00 6.89 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 81 P 0.00 3.93 0.00 1.31 0.49 0.00 3.55 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.41 0.00 82 W 7.44 4.27 0.00 3.52 3.21 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 83 Q 8.56 4.01 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 84 K 8.12 4.03 0.00 2.13 2.03 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.54 0.00 0.00 3.27 0.00 0.00 0.00 0.00 2.04 2.00 7.81 85 I 7.86 3.77 1.96 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 0.78 -0.36 0.83 0.00 0.00 86 A 7.86 3.72 1.09 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 0.00 0.00 0.00 0.00 0.00 87 S 8.04 4.39 0.00 3.88 3.92 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 88 N 7.39 4.63 0.00 2.25 1.90 0.00 0.00 6.99 7.60 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 89 L 7.69 3.96 0.00 1.30 1.23 0.20 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.29 0.00 1.90 1.98 0.00 3.60 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.66 0.00 91 S 6.91 4.43 0.00 3.52 3.32 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 92 F 8.52 5.12 0.00 3.05 3.02 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 93 S 7.68 4.60 0.00 3.97 3.87 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 0.00 0.00 0.00 94 V 7.77 4.74 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 0.81 0.00 0.00 1.11 0.00 0.00 95 S 9.56 4.65 0.00 3.82 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 96 K 8.12 4.93 0.00 1.76 1.76 0.00 1.88 0.00 0.00 1.73 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.36 7.81 97 V 8.38 4.46 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 0.42 0.00 0.00 0.23 0.00 0.00 98 L 8.53 4.76 0.00 1.39 1.35 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.47 5.03 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.66 4.53 0.00 2.04 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 2.45 2.36 0.00 101 F 9.21 4.57 0.00 3.03 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 0.00 102 D 8.19 4.57 0.00 2.71 2.75 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 0.00 0.00 0.00 103 N 7.95 4.74 0.00 2.81 2.85 0.00 0.00 6.96 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.31 4.11 0.00 1.84 1.69 1.30 1.28 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 0.00 105 N 8.64 4.72 0.00 3.06 2.98 0.00 0.00 5.88 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 0.00 106 V 8.17 3.63 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 1.17 0.00 0.00 0.89 0.00 0.00 107 T 8.01 3.87 4.50 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 0.00 0.00 0.00 1.34 0.00 0.00 108 K 9.14 4.46 0.00 2.07 2.42 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 2.04 1.80 7.81 109 F 8.52 4.18 0.00 2.96 3.14 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 0.00 0.00 0.00 0.00 110 Q 7.57 3.85 0.00 1.83 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 111 G 7.38 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 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.43 4.13 0.00 1.60 1.95 0.94 0.88 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 0.00 113 Q 7.55 3.94 0.00 1.80 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 1.73 1.26 0.00 114 T 7.20 3.95 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 0.95 0.00 0.00 115 V 7.32 3.72 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 -0.08 0.00 0.00 0.99 0.00 0.00 116 F 7.85 4.95 0.00 3.33 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 0.00 117 D 8.71 4.70 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 0.00 118 G 7.74 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 0.00 0.00 0.00 119 H 9.24 4.90 0.00 3.30 3.23 0.00 5.77 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 9.09 5.23 0.00 3.36 3.49 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 0.00 0.00 0.00 0.00 121 E 8.86 4.60 0.00 1.84 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 2.06 2.07 0.00 122 N 7.64 4.25 0.00 2.30 2.52 0.00 0.00 7.35 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.27 4.10 0.00 1.54 1.62 1.06 0.65 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 0.00 124 T 8.47 4.19 4.35 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 1.26 0.00 0.00 125 P 0.00 4.21 0.00 2.22 2.18 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 126 Y 8.01 4.10 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 I 7.20 3.72 1.95 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.80 1.15 0.00 0.00 128 Q 8.04 4.15 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.34 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 129 N 7.76 4.50 0.00 2.68 2.74 0.00 0.00 6.98 7.97 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 *131 R 7.59 3.84 0.00 0.71 1.42 0.00 2.41 0.00 0.00 3.60 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.66 0.00 * Residues marked with a * may have inaccurate shift predictions.