NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2237 8.1631 115.2380 61.8927 68.8361 172.9830 3 G 3.8104 7.3253 111.9949 44.4410 0.0000 170.7076 4 H 4.7953 10.0728 119.0259 54.5825 30.8261 173.7605 5 I 4.1982 8.5442 124.4198 62.1323 39.0074 175.5306 6 D 5.0654 7.6755 116.9339 51.2931 44.1894 173.7541 7 P 4.5177 0.0000 0.0000 62.6562 32.4506 176.9618 8 T 4.3193 8.2056 111.1105 61.1623 71.2858 175.9880 9 K 4.1027 8.4958 121.7505 60.0267 32.7756 179.2141 10 E 3.9763 8.1482 119.3928 59.4563 29.5249 179.3622 11 V 3.8455 7.7626 117.7657 65.8972 31.5965 177.8439 12 F 4.1017 8.6183 120.3885 60.8159 39.0653 176.9931 13 A 4.0335 8.2444 120.7246 55.3991 18.1133 179.3791 14 Q 3.9134 8.0222 116.4291 59.1532 28.5143 179.3109 15 F 3.9701 7.7646 120.4716 61.5021 39.5706 177.2000 16 R 3.8523 7.7016 115.9191 59.0638 29.8503 178.6529 17 A 4.1989 7.9698 120.3154 53.7870 19.4064 177.9436 18 N 4.5837 7.4326 116.7390 51.8801 37.3849 174.2579 19 D 4.8018 7.7644 126.7437 51.7809 40.5642 177.7415 20 R 3.9191 7.2723 115.3259 56.9667 29.8428 175.9418 21 E 3.9034 8.5365 121.6494 56.3222 30.2536 175.1956 22 G 4.2520 8.7128 110.1537 42.3416 0.0000 171.6561 23 P 4.7556 0.0000 0.0000 62.4135 32.2487 175.8410 24 I 4.6981 8.4993 113.5293 59.8633 40.7202 174.6325 25 H 5.7929 8.8750 122.2512 53.2088 32.6431 172.1554 *27 L 4.4100 8.2523 120.0658 55.8308 43.5709 175.9368 28 N 5.0289 8.8289 124.7103 51.4950 40.7247 173.9311 29 L 4.5070 8.3465 124.5948 52.6976 44.0593 175.7055 30 V 4.6823 8.8927 124.5345 60.9776 34.7293 173.9164 31 R 4.9737 9.3011 128.7383 54.7300 31.8099 174.9069 32 L 4.9203 9.6472 127.7485 53.4698 43.5470 176.9850 33 R 4.0531 8.8826 121.4798 55.8668 30.9638 175.8276 34 P 4.2402 0.0000 0.0000 65.3041 32.3694 175.9711 35 R 4.9947 7.7529 117.8735 53.8783 32.1422 175.0085 36 A 4.1690 8.9550 128.9832 52.3133 18.6484 178.0528 37 A 4.5284 8.6368 126.2948 50.8429 17.5476 176.1151 38 Y 4.2164 7.9675 118.2750 56.1056 39.5141 174.4629 39 P 4.2858 0.0000 0.0000 65.7516 31.5520 177.0403 40 D 4.5169 8.0107 121.6521 52.7454 39.1672 177.8931 41 G 3.9763 8.4304 119.1824 44.3662 0.0000 173.0176 42 R 3.8684 7.8014 114.7214 56.3397 30.0451 175.5434 43 E 4.5526 8.4606 120.9111 55.4841 30.4777 174.6582 44 T 4.7975 8.2185 120.4480 61.0526 71.4107 172.5338 45 T 4.5751 8.7000 115.5568 61.1603 70.1245 175.8609 46 G 4.3029 8.9360 111.1214 47.5096 0.0000 175.7688 47 A 4.1404 8.0891 122.6819 55.0125 18.4208 179.4342 48 E 3.9465 8.3510 116.7205 59.5688 29.5458 179.5183 49 A 4.1842 8.1965 120.8795 55.3532 18.4268 179.0401 50 Y 4.0240 8.6195 118.2875 60.6960 38.8445 177.9817 51 A 3.9765 8.5031 121.7349 55.2457 18.5081 179.4647 52 A 3.8572 7.9816 119.1486 55.2421 18.3370 178.9460 53 Y 4.2165 8.1292 118.2549 60.9250 38.7547 178.6007 54 G 3.2088 7.7259 106.2503 47.7185 0.0000 175.0974 55 R 3.7949 7.8471 120.9557 59.2512 30.1170 177.7774 56 D 4.5243 7.8620 116.4013 56.0625 41.3710 178.2557 57 S 4.5572 8.2428 114.7633 59.6950 63.3229 176.5088 58 G 3.6111 7.9616 110.2153 47.6616 0.0000 173.8337 59 P 4.2285 0.0000 0.0000 64.9783 31.1653 178.9895 60 V 3.6039 7.6915 116.7488 65.8568 31.2157 177.8441 61 S 4.1725 8.0600 112.9604 61.4843 62.3256 175.7793 62 E 3.9230 8.4485 122.2587 59.3190 29.1608 178.7613 63 R 3.9883 7.8826 117.6505 58.5830 30.1717 177.4439 64 L 4.6069 7.4674 116.4469 54.2193 42.0650 177.1499 65 G 3.9988 7.8405 107.1717 44.9463 0.0000 174.1851 66 G 3.7302 7.9006 108.5451 43.3239 0.0000 173.4401 *68 V 3.9540 7.9612 117.7383 62.9829 31.6774 175.2274 69 V 4.2112 8.4892 120.5348 61.7524 32.6193 175.9137 70 W 5.1452 7.7720 128.5025 56.4186 33.9837 172.7852 71 Q 4.2623 7.5086 125.9309 54.4992 31.5786 173.6866 72 G 4.0095 7.7803 111.7164 44.3939 0.0000 171.6159 73 Q 4.4718 8.5330 123.2629 54.1854 29.9674 175.3815 74 F 4.3522 9.0240 128.1098 58.5868 40.0031 174.0341 75 E 4.5169 7.8467 126.2850 57.4221 32.5864 175.7212 76 L 3.7266 6.2057 121.8742 54.8122 46.1138 175.0141 *78 L 4.3631 8.7350 115.4942 54.0233 43.6050 177.0086 79 I 4.4018 8.4619 117.7238 58.7616 39.4590 174.8460 80 G 4.3053 8.6290 110.8659 42.0853 0.0000 170.8459 81 P 4.5057 0.0000 0.0000 62.2873 31.9815 177.7309 82 Q 4.1052 8.5878 119.8978 58.7028 28.8324 176.9447 83 D 4.4782 8.0014 115.1085 53.7665 39.8068 175.3013 84 E 4.0647 7.7340 122.3927 55.0591 30.4649 174.6679 85 H 3.8608 6.8703 119.3240 54.0644 30.9550 172.8676 86 W 4.9311 6.3336 119.6775 55.1817 32.5990 175.0235 87 D 4.6967 9.2255 121.6727 55.8917 41.7455 176.8537 88 H 5.1303 8.0753 114.7105 53.9274 33.1934 172.9934 89 V 5.0107 8.4857 122.0297 61.5469 34.7036 173.7551 90 F 5.2284 8.5216 121.3842 56.2167 41.9825 172.8098 91 I 4.9498 9.4955 120.1077 59.5031 39.7697 174.5437 92 A 5.0444 8.8532 128.1552 50.1339 22.0068 174.4576 93 E 4.9738 8.5451 122.8339 54.9320 32.1360 174.2036 94 Y 5.2061 8.9087 123.2485 55.6128 41.6456 174.9554 95 P 4.4954 0.0000 0.0000 64.7616 31.8018 176.4809 96 S 4.6041 7.5622 112.8247 56.3693 66.6627 175.5700 97 V 3.5512 8.1873 121.5118 66.0220 31.2744 177.9131 98 A 4.0600 8.0572 119.9280 54.9918 17.9740 179.3042 99 A 3.9988 8.2369 119.1489 55.3718 18.5776 179.3486 100 F 3.7308 7.7711 117.0813 61.2368 39.7693 177.2716 101 V 4.0270 8.2390 118.0287 65.7590 30.9774 178.4281 102 E 4.2058 8.2238 117.9184 56.5662 29.1355 178.8923 *104 I 3.5193 7.7927 121.3511 61.0292 39.0375 177.0546 105 R 4.2209 7.7615 117.0472 56.8136 30.6887 176.8253 106 D 4.4791 7.6778 119.2548 53.3435 42.4621 174.9204 107 P 4.3915 0.0000 0.0000 66.0105 31.4147 178.7814 108 V 3.6025 8.2080 118.0926 65.9644 31.3311 177.4534 109 Y 3.9793 8.0990 118.7710 60.7749 38.5735 177.8311 110 R 3.9392 8.5103 118.1855 59.0705 29.8233 178.6012 111 E 4.1005 8.0796 118.0249 59.1167 29.5970 178.8564 112 A 4.1230 7.7704 120.9951 55.1304 18.3336 180.0732 113 V 3.1451 7.6783 117.6164 64.3788 31.4264 178.4603 114 K 3.9526 7.4606 119.9628 59.2194 31.5999 178.7044 115 H 4.1698 7.9975 115.5345 58.5936 28.8813 177.4361 116 R 3.8404 7.4150 120.1004 59.4770 29.3698 178.3975 117 Q 3.8685 8.1018 117.8239 58.9148 28.5806 178.7119 118 A 4.0437 7.9548 122.3879 53.6885 18.1857 179.3269 119 A 4.0801 7.8398 119.4683 53.1947 19.0779 177.5891 120 V 4.1795 7.1669 116.6913 62.2146 32.2821 175.0921 121 E 4.2419 9.1654 128.9931 58.9285 30.7584 175.4328 122 D 5.0938 7.7707 116.2734 53.7656 44.6794 174.0461 123 S 5.1637 8.3281 115.8678 57.8328 66.2443 174.4804 124 R 4.6228 8.4502 119.9908 54.2643 33.7176 174.7947 125 L 4.8916 8.3879 123.4499 53.6097 44.4840 175.1971 126 I 4.4206 8.5432 128.2055 59.4648 38.9531 175.4538 127 R 4.5624 8.5602 127.7657 55.4211 31.0527 175.3288 128 L 4.8882 9.1051 125.6818 52.7232 46.2937 175.5171 129 K 4.4732 8.4708 122.8780 54.3840 32.9723 174.8818 130 P 4.2685 0.0000 0.0000 62.7195 31.8287 175.6339 131 L 4.6826 8.0093 121.6026 52.3289 43.8553 176.1702 132 K 4.0508 8.3214 122.3239 55.6544 32.7035 174.7479 133 P 4.6978 0.0000 0.0000 62.8371 30.1477 176.6346 134 G 3.7110 9.7941 110.7388 45.6723 0.0000 170.7005 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 T 8.16 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 3 G 7.33 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 4 H 10.07 4.80 0.00 3.41 3.27 0.00 5.77 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.54 4.20 1.86 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 1.55 0.59 0.87 0.00 0.00 6 D 7.68 5.07 0.00 2.60 2.50 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 0.00 7 P 0.00 4.52 0.00 2.25 2.09 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 8 T 8.21 4.32 4.40 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 1.24 0.00 0.00 9 K 8.50 4.10 0.00 2.05 2.13 0.00 1.53 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.56 7.81 10 E 8.15 3.98 0.00 2.11 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 2.42 2.46 0.00 11 V 7.76 3.85 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 1.04 0.00 0.00 0.96 0.00 0.00 12 F 8.62 4.10 0.00 3.28 3.09 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 13 A 8.24 4.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.02 3.91 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 15 F 7.76 3.97 0.00 2.77 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 16 R 7.70 3.85 0.00 1.91 1.94 0.00 3.31 0.00 0.00 3.49 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.37 0.00 17 A 7.97 4.20 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 18 N 7.43 4.58 0.00 2.55 2.57 0.00 0.00 7.10 9.21 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 19 D 7.76 4.80 0.00 2.71 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 20 R 7.27 3.92 0.00 2.01 1.92 0.00 3.34 0.00 0.00 3.03 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 21 E 8.54 3.90 0.00 1.93 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 2.28 2.30 0.00 22 G 8.71 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 0.00 0.00 0.00 0.00 23 P 0.00 4.76 0.00 2.07 2.05 0.00 3.87 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 2.01 1.97 0.00 24 I 8.50 4.70 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 1.33 1.19 0.81 0.00 0.00 25 H 8.87 5.79 0.00 3.05 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 L 8.25 4.41 0.00 1.76 1.53 1.03 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.83 5.03 0.00 1.44 2.17 0.00 0.00 6.42 6.83 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 29 L 8.35 4.51 0.00 0.27 0.13 0.48 0.50 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 30 V 8.89 4.68 2.05 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 0.69 0.00 0.00 0.98 0.00 0.00 31 R 9.30 4.97 0.00 1.77 1.86 0.00 2.55 0.00 0.00 2.78 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.20 0.00 32 L 9.65 4.92 0.00 1.53 1.56 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.88 4.05 0.00 1.72 1.95 0.00 3.28 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 34 P 0.00 4.24 0.00 2.07 2.11 0.00 3.52 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 35 R 7.75 4.99 0.00 1.77 1.80 0.00 3.57 0.00 0.00 3.51 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 36 A 8.95 4.17 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 37 A 8.64 4.53 1.21 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 38 Y 7.97 4.22 0.00 3.02 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 39 P 0.00 4.29 0.00 2.07 2.14 0.00 3.86 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 2.07 2.10 0.00 40 D 8.01 4.52 0.00 2.75 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 41 G 8.43 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 42 R 7.80 3.87 0.00 1.81 1.81 0.00 2.21 0.00 0.00 2.73 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.51 0.00 43 E 8.46 4.55 0.00 1.99 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 2.23 2.37 0.00 44 T 8.22 4.80 4.34 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 1.31 0.00 0.00 45 T 8.70 4.58 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 1.24 0.00 0.00 46 G 8.94 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 0.00 0.00 0.00 0.00 47 A 8.09 4.14 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 3.95 0.00 2.26 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 2.38 0.00 49 A 8.20 4.18 1.52 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 0.00 0.00 50 Y 8.62 4.02 0.00 3.19 3.12 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 0.00 0.00 0.00 51 A 8.50 3.98 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 52 A 7.98 3.86 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 53 Y 8.13 4.22 0.00 2.86 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 54 G 7.73 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 0.00 0.00 0.00 55 R 7.85 3.79 0.00 1.79 2.13 0.00 3.22 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 56 D 7.86 4.52 0.00 2.67 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 57 S 8.24 4.56 0.00 4.09 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 58 G 7.96 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 59 P 0.00 4.23 0.00 2.16 2.11 0.00 3.66 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 2.09 2.12 0.00 60 V 7.69 3.60 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 1.05 0.00 0.00 0.99 0.00 0.00 61 S 8.06 4.17 0.00 4.02 3.99 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 0.00 0.00 0.00 62 E 8.45 3.92 0.00 2.09 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 2.30 2.30 0.00 63 R 7.88 3.99 0.00 2.08 2.13 0.00 3.31 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 64 L 7.47 4.61 0.00 1.67 1.74 0.90 1.00 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 65 G 7.84 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 0.00 0.00 0.00 66 G 7.90 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 *68 V 7.96 3.95 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 0.86 0.00 0.00 0.78 0.00 0.00 69 V 8.49 4.21 2.13 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 0.71 0.00 0.00 0.93 0.00 0.00 70 W 7.77 5.15 0.00 3.39 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 71 Q 7.51 4.26 0.00 1.86 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.54 0.00 0.00 0.00 0.00 0.00 2.05 2.39 0.00 72 G 7.78 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 0.00 0.00 0.00 73 Q 8.53 4.47 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 74 F 9.02 4.35 0.00 3.18 3.09 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 75 E 7.85 4.52 0.00 1.81 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 0.00 2.17 2.42 0.00 76 L 6.21 3.73 0.00 1.37 1.17 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *78 L 8.74 4.36 0.00 1.64 1.73 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.46 4.40 1.90 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 1.36 0.81 0.93 0.00 0.00 80 G 8.63 4.31 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 0.00 81 P 0.00 4.51 0.00 2.38 2.19 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.00 0.00 82 Q 8.59 4.11 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.14 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 83 D 8.00 4.48 0.00 2.70 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 84 E 7.73 4.06 0.00 2.04 1.81 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 1.96 2.04 0.00 85 H 6.87 3.86 0.00 2.48 2.96 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 W 6.33 4.93 0.00 3.09 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 87 D 9.23 4.70 0.00 2.46 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 88 H 8.08 5.13 0.00 3.04 3.36 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.49 5.01 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 1.32 0.00 0.00 1.13 0.00 0.00 90 F 8.52 5.23 0.00 3.28 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 91 I 9.50 4.95 2.13 0.00 0.00 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 1.23 1.04 0.90 0.00 0.00 92 A 8.85 5.04 1.50 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 0.00 0.00 0.00 93 E 8.55 4.97 0.00 2.04 1.76 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 2.32 2.43 0.00 94 Y 8.91 5.21 0.00 3.11 2.95 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 95 P 0.00 4.50 0.00 2.23 2.22 0.00 4.03 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 96 S 7.56 4.60 0.00 4.04 3.99 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 0.00 0.00 0.00 97 V 8.19 3.55 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 0.59 0.00 0.00 0.53 0.00 0.00 98 A 8.06 4.06 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 99 A 8.24 4.00 1.50 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 0.00 0.00 0.00 100 F 7.77 3.73 0.00 2.85 3.38 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 0.00 101 V 8.24 4.03 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 1.15 0.00 0.00 1.25 0.00 0.00 102 E 8.22 4.21 0.00 2.19 1.94 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 2.56 2.51 0.00 *104 I 7.79 3.52 1.82 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 1.09 -0.36 0.69 0.00 0.00 105 R 7.76 4.22 0.00 1.81 1.98 0.00 3.20 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 106 D 7.68 4.48 0.00 2.93 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 0.00 107 P 0.00 4.39 0.00 2.32 2.31 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 108 V 8.21 3.60 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 109 Y 8.10 3.98 0.00 3.11 3.09 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 0.00 110 R 8.51 3.94 0.00 1.93 2.00 0.00 3.21 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.92 0.00 111 E 8.08 4.10 0.00 2.13 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 0.00 2.32 2.46 0.00 112 A 7.77 4.12 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 0.00 113 V 7.68 3.15 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 0.78 0.00 0.00 0.70 0.00 0.00 114 K 7.46 3.95 0.00 1.91 1.87 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.45 7.81 115 H 8.00 4.17 0.00 3.31 3.64 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.42 3.84 0.00 0.67 1.52 0.00 3.24 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.08 0.00 117 Q 8.10 3.87 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 118 A 7.95 4.04 0.38 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 0.00 119 A 7.84 4.08 1.56 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 0.00 0.00 0.00 120 V 7.17 4.18 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 0.95 0.00 0.00 1.08 0.00 0.00 121 E 9.17 4.24 0.00 2.15 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 2.24 2.22 0.00 122 D 7.77 5.09 0.00 2.82 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.33 5.16 0.00 3.89 3.82 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 0.00 124 R 8.45 4.62 0.00 1.31 1.65 0.00 3.17 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.54 0.00 125 L 8.39 4.89 0.00 1.55 1.49 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.54 4.42 1.81 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 1.05 0.64 0.87 0.00 0.00 127 R 8.56 4.56 0.00 1.90 1.86 0.00 3.07 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 128 L 9.11 4.89 0.00 1.59 1.46 1.00 0.60 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 0.00 129 K 8.47 4.47 0.00 1.66 1.66 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.40 7.81 130 P 0.00 4.27 0.00 1.96 1.75 0.00 3.59 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 1.80 1.42 0.00 131 L 8.01 4.68 0.00 1.57 1.52 0.89 0.87 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 0.00 132 K 8.32 4.05 0.00 1.87 1.68 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.50 1.03 7.81 133 P 0.00 4.70 0.00 2.06 2.01 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 134 G 9.79 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 * Residues marked with a * may have inaccurate shift predictions.