NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4650 8.4449 121.7729 55.8904 31.1975 175.3894 3 Q 5.6548 8.1627 115.9556 53.0950 32.2504 172.8687 4 Y 5.1321 8.9463 118.0802 56.5101 41.7595 173.5939 5 Y 5.9184 8.9513 124.3416 55.1680 42.3926 174.4953 6 G 4.5091 6.9035 110.9102 44.9086 0.0000 171.4811 7 T 4.8836 8.4643 120.5242 61.7043 70.2928 173.8291 8 G 4.1992 8.3730 114.1562 44.5564 0.0000 171.7809 9 R 5.1653 8.1089 122.4996 55.1469 33.5612 175.0842 10 R 4.3749 9.1531 121.2341 56.4561 31.9665 171.0330 11 K 3.5931 8.4842 127.3395 56.8370 29.6727 176.3403 12 E 3.7771 8.2626 118.7152 56.1039 28.6264 173.4285 13 A 5.7517 7.7018 121.6674 49.6434 21.0707 176.1349 14 V 4.8670 8.6924 122.2196 61.2088 35.2703 174.2729 15 A 5.1197 8.8593 126.9918 50.5604 23.1144 174.9138 16 R 4.6732 8.6175 119.7950 54.3708 32.7352 175.5327 17 V 4.3057 7.6928 123.1642 60.9447 34.5570 174.2944 18 F 6.3000 8.1321 124.8680 54.9515 43.3861 173.8390 19 L 5.7331 8.5852 119.3365 52.4618 45.8946 176.3155 20 R 5.0157 8.4955 119.5574 54.5815 31.8931 170.7260 21 P 3.4302 0.0000 0.0000 62.4573 31.0690 176.4264 22 G 3.7312 8.0425 119.8839 44.6444 0.0000 171.8796 23 N 3.8826 8.5645 118.9379 55.0156 38.8770 174.0553 24 G 3.9473 9.6569 113.0616 45.6130 0.0000 172.7903 25 K 3.8290 8.0225 119.9954 57.3981 32.5302 177.1688 26 V 4.1787 8.3368 125.0356 62.8187 33.6577 175.1329 27 T 5.5927 9.2409 120.6656 61.2376 71.6749 173.1246 28 V 4.2592 8.5133 127.5260 61.9441 33.0934 175.6408 29 N 4.0650 9.9227 126.9958 54.1936 37.1409 174.2346 30 G 3.9589 8.2167 102.0655 44.7186 0.0000 173.4729 31 Q 4.5276 7.4331 118.9206 55.5400 33.4557 172.6194 32 D 4.9624 7.9770 122.7168 53.7222 41.5181 175.9446 33 F 4.2675 8.0401 125.1317 62.8384 39.7362 178.4056 34 N 4.8958 8.2381 118.2633 53.1209 37.8568 175.9464 35 E 4.4368 9.1818 119.7881 57.4485 32.0627 175.6507 36 Y 3.8324 7.4532 119.4565 59.6540 39.6496 176.0031 37 F 4.2605 7.2123 120.1330 56.5993 38.6137 177.3001 38 Q 4.1493 7.4899 121.8745 58.5404 28.7876 173.3992 39 G 3.8848 9.2382 117.2329 45.8038 0.0000 172.1884 40 L 3.8566 8.0519 129.2767 53.8154 41.1887 178.4149 41 V 3.7529 8.3470 122.8029 64.3496 31.6656 176.2801 42 R 4.4567 7.7128 117.7633 56.5515 30.7637 176.7428 43 A 3.7014 8.4873 122.2384 55.7572 18.2624 180.5123 44 V 3.9594 7.9023 105.6527 63.0583 31.8345 177.1899 45 A 4.0195 8.2335 123.9581 55.0626 17.9729 178.5557 46 A 3.9207 7.3649 118.2183 55.0835 19.0295 179.2225 47 L 3.8284 7.8049 114.8729 56.6087 42.4193 179.1827 48 E 3.8911 8.0306 120.2113 58.9798 29.3732 177.1407 49 P 3.8200 0.0000 0.0000 64.7235 31.6458 177.9584 50 L 3.8851 8.0140 120.0078 57.6389 41.3600 178.8554 51 R 3.7997 7.9544 117.5132 59.3045 29.9895 178.3264 52 A 4.0535 6.9931 119.2694 54.7189 19.0492 179.3760 53 V 3.4537 7.3024 108.2538 61.6051 31.7071 178.2198 54 D 4.5357 8.2461 119.3849 55.0649 40.5058 174.3951 55 A 4.2494 7.8494 121.2545 52.2137 15.7729 176.4716 56 L 4.1743 7.6504 122.5226 55.4174 42.9422 177.0971 57 G 4.2016 7.6727 108.5217 45.8059 0.0000 174.2244 *58 H 4.4377 8.3238 119.5215 56.9701 29.4743 175.3066 59 F 4.7562 8.1182 116.1403 55.7697 43.3217 174.7563 60 D 5.0690 8.1756 120.1917 53.8814 44.3098 175.2717 61 A 5.3054 7.9985 116.4010 52.9460 21.2891 175.4675 62 Y 4.8891 8.8102 124.5506 58.3138 39.7493 173.8529 63 I 4.7789 9.0959 129.4375 58.7899 40.1454 174.8440 64 T 4.5139 8.1653 121.5335 60.2828 69.3563 172.5510 65 V 4.8349 8.3414 129.3620 60.0458 33.4797 175.7652 66 R 4.5468 9.3561 123.5156 55.8239 34.6707 174.9130 67 G 4.6189 8.2844 110.5678 48.8254 0.0000 171.8466 68 G 4.1642 9.1805 109.9491 44.6158 0.0000 172.7473 69 G 4.2842 8.2727 110.1099 43.1248 0.0000 173.0928 70 K 3.9814 8.7161 119.4341 59.0113 32.3489 178.9653 71 S 4.3112 8.1837 112.6542 59.7727 63.1636 175.7969 72 G 3.7556 7.9146 106.4524 47.0072 0.0000 175.7718 73 Q 4.3121 8.9376 120.6519 58.6741 28.5565 178.9688 74 I 3.5307 7.3517 120.5742 64.5292 37.0505 177.8922 75 D 4.3071 7.6551 118.0998 57.8479 40.8662 178.6163 76 A 4.0607 8.5808 121.7606 54.8633 17.8081 179.4473 77 I 3.7287 8.2574 117.9052 63.9727 35.7408 178.5993 78 K 4.3601 8.1937 121.0480 59.1837 32.0481 178.4438 79 L 4.4619 8.3773 121.1996 57.5864 42.1457 178.6217 80 G 3.6246 7.9079 104.3297 46.5899 0.0000 175.3904 81 I 3.7286 7.2141 123.0429 64.2438 37.2842 178.0316 82 A 4.2385 7.5773 120.7359 55.1272 18.0048 179.5141 83 R 3.9520 7.9643 116.1081 58.6040 30.3784 178.1842 84 A 4.6137 8.5112 122.7900 54.0779 18.9505 179.4833 85 L 4.1563 7.8894 117.8049 58.6186 40.2642 179.2887 86 V 3.9162 7.4959 118.9642 64.0180 31.7556 177.5443 87 Q 4.2242 7.9911 118.7688 57.6033 29.0244 175.2865 88 Y 4.3565 7.4739 116.7942 57.3380 39.1982 175.6815 89 N 4.6629 7.3396 120.5871 52.7080 40.1877 173.3991 90 P 4.6362 0.0000 0.0000 63.5175 31.2957 177.3068 91 D 4.9681 7.9055 117.9067 54.9923 41.1679 176.5227 92 Y 4.6463 8.3060 117.6422 58.5746 38.1162 177.8190 93 R 4.0831 8.5944 121.9971 58.7079 30.9001 179.2463 94 A 4.3577 7.7357 120.4557 50.9121 17.8851 177.0284 95 K 4.6662 7.7318 120.1345 59.0707 39.9417 178.0117 96 L 3.9854 7.6362 121.0022 57.5942 42.3276 178.5574 97 K 4.1803 8.1052 119.7945 58.4068 32.0236 176.3554 98 P 3.9539 0.0000 0.0000 66.8207 31.6955 176.9084 99 L 3.8611 7.2273 126.2990 56.4110 42.7613 173.9628 100 G 3.9706 8.9577 113.9034 45.4839 0.0000 173.6781 101 F 4.5719 9.6499 122.2239 57.5045 41.9994 174.0813 102 L 4.6900 8.8001 122.2564 52.1273 44.5806 174.7736 103 T 4.3634 8.8118 129.3216 62.9932 70.5292 173.2432 104 R 3.7055 8.3510 127.3355 57.7304 30.8375 175.1750 105 D 4.2071 7.9187 116.6985 53.9710 38.9434 173.9133 106 A 3.9593 7.9886 122.8956 54.2069 19.0269 177.8215 107 R 3.8884 7.2529 114.1286 57.0002 30.1834 176.3249 108 V 4.4039 7.9614 114.5708 59.2947 35.6439 174.4511 109 V 3.5106 8.4514 122.3663 63.5303 31.3164 175.1418 110 E 4.4945 8.6946 125.4613 54.9118 31.0982 175.3957 111 R 3.5113 7.8905 120.8560 54.6114 31.4297 175.0928 112 K 4.2110 8.4748 126.7396 55.6613 32.6311 176.4672 113 K 4.3631 8.4126 126.0747 55.2947 32.8217 176.3774 114 Y 4.2976 8.4198 119.3452 58.0155 38.4984 175.9472 115 G 3.7186 8.9988 106.8063 45.9198 0.0000 174.2734 116 K 4.2172 7.7068 115.9484 55.5430 35.4325 176.3505 117 H 4.1621 8.0042 121.9276 58.7630 29.2925 176.1745 118 K 4.5466 7.3797 117.4846 55.7399 32.8101 177.6425 119 A 4.0132 8.4518 118.9406 53.1598 18.1077 178.1498 120 R 4.6858 7.9211 111.9255 57.2711 37.7400 175.3331 121 R 3.9773 7.9594 119.6942 56.2268 28.6181 175.1425 122 A 4.1785 8.1470 127.1511 50.6769 19.2165 175.7348 123 P 4.4411 0.0000 0.0000 62.2474 31.9784 176.1270 124 Q 3.9694 8.6616 118.5597 56.4518 28.5623 176.4830 125 Y 4.5986 8.4934 123.9557 58.0372 39.6910 175.4062 126 S 4.2634 8.7634 116.2535 58.8687 66.7535 175.7309 127 K 4.2713 8.4556 124.1245 56.6329 31.9238 175.3074 128 R 4.2095 7.5776 117.6554 56.1019 29.5806 175.5923 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 E 8.44 4.47 0.00 2.06 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 0.00 2.21 2.37 0.00 3 Q 8.16 5.65 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.54 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 4 Y 8.95 5.13 0.00 2.70 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 5 Y 8.95 5.92 0.00 3.48 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 6 G 6.90 4.51 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 7 T 8.46 4.88 4.30 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 1.34 0.00 0.00 8 G 8.37 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 0.00 0.00 0.00 0.00 9 R 8.11 5.17 0.00 1.78 1.75 0.00 3.28 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 10 R 9.15 4.37 0.00 1.73 1.76 0.00 3.62 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 11 K 8.48 3.59 0.00 2.15 1.81 0.00 1.90 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.45 7.81 12 E 8.26 3.78 0.00 2.21 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 0.00 2.29 2.24 0.00 13 A 7.70 5.75 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 14 V 8.69 4.87 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 0.93 0.00 0.00 0.94 0.00 0.00 15 A 8.86 5.12 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 16 R 8.62 4.67 0.00 1.59 1.39 0.00 3.18 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.65 0.00 17 V 7.69 4.31 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 0.88 0.00 0.00 0.82 0.00 0.00 18 F 8.13 6.30 0.00 3.36 2.85 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 19 L 8.59 5.73 0.00 0.90 1.20 0.09 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.50 5.02 0.00 1.70 1.75 0.00 3.23 0.00 0.00 3.35 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 21 P 0.00 3.43 0.00 1.80 1.47 0.00 3.72 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.18 0.00 22 G 8.04 3.73 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 0.00 0.00 0.00 23 N 8.56 3.88 0.00 3.03 2.84 0.00 0.00 6.82 7.65 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 24 G 9.66 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 25 K 8.02 3.83 0.00 1.82 1.95 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.51 7.81 26 V 8.34 4.18 1.98 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 1.04 0.00 0.00 0.86 0.00 0.00 27 T 9.24 5.59 4.51 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 1.46 0.00 0.00 28 V 8.51 4.26 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 0.30 0.00 0.00 1.16 0.00 0.00 29 N 9.92 4.06 0.00 2.59 2.81 0.00 0.00 7.05 7.53 0.00 0.00 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 G 8.22 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 0.00 0.00 0.00 31 Q 7.43 4.53 0.00 2.29 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.92 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 32 D 7.98 4.96 0.00 2.82 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 33 F 8.04 4.27 0.00 3.28 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 34 N 8.24 4.90 0.00 2.87 2.91 0.00 0.00 6.56 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 35 E 9.18 4.44 0.00 1.80 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 0.00 2.27 2.22 0.00 36 Y 7.45 3.83 0.00 2.74 2.37 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 37 F 7.21 4.26 0.00 2.61 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 38 Q 7.49 4.15 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 39 G 9.24 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 40 L 8.05 3.86 0.00 1.77 1.75 1.18 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.35 3.75 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 0.76 0.00 0.00 0.98 0.00 0.00 42 R 7.71 4.46 0.00 1.85 1.82 0.00 3.23 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 43 A 8.49 3.70 1.28 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 0.00 0.00 44 V 7.90 3.96 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 0.80 0.00 0.00 0.96 0.00 0.00 45 A 8.23 4.02 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 46 A 7.36 3.92 1.34 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 0.00 0.00 0.00 0.00 0.00 47 L 7.80 3.83 0.00 1.66 1.63 -0.19 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.03 3.89 0.00 2.36 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 0.00 2.47 2.82 0.00 49 P 0.00 3.82 0.00 2.22 2.54 0.00 3.90 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.32 0.00 50 L 8.01 3.89 0.00 1.79 1.87 0.83 0.70 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 51 R 7.95 3.80 0.00 1.92 1.98 0.00 3.17 0.00 0.00 3.44 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 52 A 6.99 4.05 0.97 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 53 V 7.30 3.45 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 0.73 0.00 0.00 0.91 0.00 0.00 54 D 8.25 4.54 0.00 2.84 2.86 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 55 A 7.85 4.25 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 56 L 7.65 4.17 0.00 1.75 1.55 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.67 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 0.00 0.00 0.00 0.00 *58 H 8.32 4.44 0.00 3.43 3.21 0.00 7.12 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 59 F 8.12 4.76 0.00 2.72 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 60 D 8.18 5.07 0.00 2.61 2.65 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 0.00 0.00 0.00 0.00 61 A 8.00 5.31 1.25 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 0.00 0.00 0.00 62 Y 8.81 4.89 0.00 3.19 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 63 I 9.10 4.78 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 2.02 0.86 0.00 0.00 64 T 8.17 4.51 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 1.06 0.00 0.00 65 V 8.34 4.83 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 0.66 0.00 0.00 0.98 0.00 0.00 66 R 9.36 4.55 0.00 1.68 1.80 0.00 3.06 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 67 G 8.28 4.62 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 0.00 0.00 0.00 68 G 9.18 4.16 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 0.00 0.00 0.00 69 G 8.27 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 0.00 0.00 0.00 70 K 8.72 3.98 0.00 1.83 2.02 0.00 1.42 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.41 1.35 7.81 71 S 8.18 4.31 0.00 3.87 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 72 G 7.91 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 73 Q 8.94 4.31 0.00 2.35 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 74 I 7.35 3.53 1.97 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.92 0.74 0.00 0.00 75 D 7.66 4.31 0.00 2.73 2.72 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 76 A 8.58 4.06 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 77 I 8.26 3.73 1.97 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.06 0.91 0.00 0.00 78 K 8.19 4.36 0.00 1.91 1.98 0.00 1.55 0.00 0.00 1.47 0.00 0.00 2.61 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.45 1.59 7.81 79 L 8.38 4.46 0.00 1.67 1.61 0.92 0.98 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 80 G 7.91 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 0.00 0.00 0.00 81 I 7.21 3.73 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.64 0.81 0.00 0.00 82 A 7.58 4.24 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 83 R 7.96 3.95 0.00 1.90 1.89 0.00 3.37 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 84 A 8.51 4.61 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 0.00 0.00 85 L 7.89 4.16 0.00 1.95 1.85 1.22 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.50 3.92 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 0.84 0.00 0.00 1.06 0.00 0.00 87 Q 7.99 4.22 0.00 2.28 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.45 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 88 Y 7.47 4.36 0.00 2.45 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.34 4.66 0.00 2.11 1.74 0.00 0.00 6.76 8.03 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 90 P 0.00 4.64 0.00 2.16 2.11 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 91 D 7.91 4.97 0.00 2.85 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 92 Y 8.31 4.65 0.00 3.13 2.94 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 0.00 0.00 0.00 0.00 93 R 8.59 4.08 0.00 1.90 1.93 0.00 3.18 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 94 A 7.74 4.36 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 95 K 7.73 4.67 0.00 1.77 1.85 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.65 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.18 1.41 7.81 96 L 7.64 3.99 0.00 1.90 1.88 1.07 0.60 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 97 K 8.11 4.18 0.00 1.89 1.91 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.43 7.81 98 P 0.00 3.95 0.00 2.07 1.96 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 99 L 7.23 3.86 0.00 1.74 1.94 1.23 1.17 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 0.00 100 G 8.96 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 0.00 101 F 9.65 4.57 0.00 2.83 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 0.00 102 L 8.80 4.69 0.00 1.60 1.53 0.94 1.01 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 0.00 103 T 8.81 4.36 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 1.24 0.00 0.00 104 R 8.35 3.71 0.00 1.79 2.04 0.00 3.57 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 105 D 7.92 4.21 0.00 2.79 2.65 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 0.00 0.00 0.00 0.00 106 A 7.99 3.96 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 0.00 107 R 7.25 3.89 0.00 1.77 1.95 0.00 3.12 0.00 0.00 3.59 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 108 V 7.96 4.40 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 0.65 0.00 0.00 0.94 0.00 0.00 109 V 8.45 3.51 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 0.81 0.00 0.00 0.93 0.00 0.00 110 E 8.69 4.49 0.00 2.10 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 2.21 2.28 0.00 111 R 7.89 3.51 0.00 1.78 1.82 0.00 3.18 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 112 K 8.47 4.21 0.00 1.77 1.71 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.48 7.81 113 K 8.41 4.36 0.00 1.85 1.87 0.00 1.90 0.00 0.00 1.96 0.00 0.00 3.14 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.47 7.81 114 Y 8.42 4.30 0.00 3.06 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 0.00 115 G 9.00 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 0.00 116 K 7.71 4.22 0.00 2.01 1.70 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.39 7.81 117 H 8.00 4.16 0.00 3.21 3.40 0.00 5.60 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.38 4.55 0.00 1.77 1.72 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.45 7.81 119 A 8.45 4.01 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 0.00 120 R 7.92 4.69 0.00 1.81 1.93 0.00 3.18 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 121 R 7.96 3.98 0.00 1.84 1.91 0.00 3.42 0.00 0.00 3.38 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 122 A 8.15 4.18 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 0.00 123 P 0.00 4.44 0.00 2.20 1.99 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 1.95 1.92 0.00 124 Q 8.66 3.97 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.07 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 125 Y 8.49 4.60 0.00 2.84 2.79 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 0.00 126 S 8.76 4.26 0.00 3.89 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 0.00 127 K 8.46 4.27 0.00 1.20 1.62 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.24 1.38 7.81 128 R 7.58 4.21 0.00 1.90 1.81 0.00 3.17 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 * Residues marked with a * may have inaccurate shift predictions.