NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3706 8.1749 117.3820 63.5425 70.7936 174.2090 3 T 4.3070 7.3383 118.0262 61.1831 71.1381 173.5537 4 P 4.1704 0.0000 0.0000 65.5973 31.7770 178.8257 5 S 4.1248 7.8907 111.5411 61.5191 62.4581 175.8147 6 M 3.9700 7.9166 120.8981 58.4810 31.7015 178.3905 7 E 3.8378 8.4541 119.1011 59.3755 29.5795 178.9677 8 D 4.2976 7.6950 117.8420 57.3760 41.1846 177.9667 9 Y 3.8659 8.1440 117.3330 61.1296 37.8289 178.4181 10 I 3.6794 8.0123 120.9040 64.3267 37.1784 178.1150 11 E 3.9599 8.2687 120.1639 59.2777 29.4813 178.7162 12 Q 3.9658 8.0909 119.5537 59.2635 29.1851 178.1661 13 I 3.7437 8.5863 121.4693 64.4868 37.1762 177.6918 14 Y 4.0382 8.4217 120.6284 61.0466 38.6465 178.1205 15 M 4.0974 8.3256 119.4415 58.5436 32.0498 178.7549 16 L 3.9912 8.0501 119.0199 57.8927 41.6985 179.7532 17 I 3.7589 7.7805 119.7470 64.2548 36.7579 178.3851 18 E 3.7985 7.6668 118.7749 59.0125 29.3160 178.7943 19 E 3.9680 8.3413 118.8144 59.0491 29.9739 178.2884 20 K 4.0969 8.0767 116.1780 56.0069 32.8805 177.7840 21 G 3.9533 9.3197 107.1097 44.8573 0.0000 172.3251 22 Y 4.6172 6.2783 114.4591 56.1472 40.1432 173.3452 23 A 4.6828 8.6852 123.0923 50.1598 21.3905 176.3308 24 R 4.6652 8.4619 122.1242 54.6194 33.1633 177.4583 25 V 3.6644 8.5065 122.4145 66.4715 31.4378 178.5774 26 S 4.1106 8.0687 113.2060 61.7300 62.9545 176.1033 27 D 4.4378 7.9983 121.8626 56.6682 40.5925 178.7311 28 I 3.7231 8.1455 120.8830 64.2502 37.1763 178.0965 29 A 3.9810 8.6484 122.0128 55.2102 18.1712 179.2394 30 E 3.8960 8.3319 117.4864 58.9618 29.5097 178.7534 31 A 4.0944 7.7414 121.2064 54.4247 18.5830 178.0238 32 L 4.1366 7.9605 113.1844 53.9641 42.7092 176.0420 33 A 3.7167 7.3095 119.4453 53.2824 16.0610 176.4274 34 V 4.5896 7.9381 113.2732 59.3996 36.6368 175.7998 35 H 4.5011 8.5630 120.9598 55.1064 30.4904 174.4151 36 P 4.3402 0.0000 0.0000 65.7578 30.7035 178.9637 37 S 4.1024 7.7992 114.0653 61.4905 63.1665 176.2354 38 S 4.1066 8.0275 118.9838 61.2253 62.6040 176.7220 39 V 3.7545 7.8996 120.1264 66.6615 31.1739 177.6884 40 T 3.8516 8.0425 115.3341 66.8235 68.4172 176.3748 41 K 3.8834 8.0496 121.2527 59.5110 32.1990 178.6799 42 M 3.7250 7.7564 118.5588 58.5278 31.9943 178.2759 43 V 3.4888 7.9279 118.7911 66.1785 31.5946 178.0461 44 Q 3.3922 7.5544 117.8681 58.3275 28.4833 178.4816 45 K 3.9332 7.6625 120.4294 59.4624 32.2001 178.9751 46 L 4.2119 8.3961 119.6773 57.6874 41.3865 179.0702 47 D 4.7142 8.2260 119.7799 56.7255 41.0193 178.0472 48 K 3.9471 7.9014 118.9506 59.6195 32.2687 177.6039 49 D 4.5686 7.9095 115.5880 53.7166 40.9138 175.9874 50 E 3.8034 8.0861 118.1383 57.7801 27.5355 175.3499 51 Y 4.2850 8.3803 119.1824 59.9530 38.6785 175.0560 52 L 5.2215 7.4374 117.9143 55.2312 44.4045 174.1173 53 I 5.0649 9.0608 119.4291 60.1476 41.0449 174.1974 54 Y 4.8765 9.1081 126.2915 54.1515 39.1823 175.4561 *59 G 4.0809 8.6587 113.4854 44.7645 0.0000 175.1886 60 L 4.4948 8.7175 124.0908 55.2518 41.1390 176.0294 61 V 4.5790 8.4582 120.3706 61.1201 34.8844 174.3839 62 L 4.9584 8.6279 127.0795 54.6078 42.7746 176.8618 63 T 4.4534 8.7019 114.1663 60.5674 70.7605 175.6974 64 S 4.1302 8.8504 116.4006 61.7383 62.6000 176.5936 65 K 4.0740 8.0702 122.6290 59.3132 32.0001 178.9940 66 G 3.8809 8.0150 106.0012 47.6049 0.0000 176.0053 67 K 4.2617 8.5550 121.1437 59.3452 32.1593 179.5186 68 K 3.9675 8.1434 118.7433 59.6074 31.8990 179.2454 69 I 3.8390 7.8440 119.7908 64.3991 37.1162 178.3795 70 G 3.5949 8.3330 106.5508 47.9132 0.0000 175.3315 71 K 3.2148 7.7852 122.1227 58.8854 32.1482 179.0570 72 R 4.0719 7.9350 118.2604 59.4461 30.0330 178.9702 73 L 4.0127 8.1918 118.9879 57.9319 41.5644 179.8821 74 V 3.6345 7.8364 118.1543 65.9431 31.3560 177.4899 75 Y 4.0768 8.0889 119.4285 60.7897 38.6646 178.2587 76 R 3.7352 8.5815 119.4336 59.3270 30.1289 178.4385 77 H 3.9218 8.3500 118.0679 59.2637 29.8645 176.9492 78 E 3.9439 8.2667 120.2900 59.4767 29.3787 179.1404 79 L 3.8247 7.7396 120.2774 58.1601 42.0624 178.9990 80 L 4.1202 7.9520 118.8834 57.8391 41.5226 179.3833 81 E 3.9423 8.1062 118.5139 59.5734 29.3915 179.4392 82 Q 4.0091 8.2560 118.1115 58.8353 28.7508 178.3778 83 F 4.3232 8.7193 122.0381 61.6193 39.4906 177.2072 84 L 3.3615 7.9668 118.3705 57.3224 41.2956 179.8045 85 R 3.7527 7.9843 118.7208 59.5652 29.9065 178.4394 86 I 3.6027 7.7805 118.8199 64.1062 37.1618 177.4437 87 I 3.9265 7.0891 110.7808 60.7376 37.7197 176.4740 88 G 3.8168 7.7208 108.7971 45.4504 0.0000 174.1054 89 V 3.6420 7.3092 119.1257 62.0065 32.2393 175.7781 90 D 4.3875 8.5931 125.9373 54.7079 41.6188 176.9624 91 E 3.8745 9.0581 124.1613 59.7715 29.4003 179.0573 92 E 4.0257 8.2196 116.2779 59.0377 29.3659 178.6606 93 K 4.2792 7.9286 117.6924 57.7795 32.4425 178.9491 94 I 3.6746 7.4833 120.7308 64.5270 37.0026 177.3262 95 Y 4.1180 8.0806 119.5303 61.1504 38.4865 178.0329 96 N 4.1698 8.2362 116.5254 56.1882 38.2893 177.1163 97 D 4.2916 7.7655 120.1452 57.0793 40.8692 178.8664 98 V 3.4733 7.7327 118.6996 66.1638 31.3595 177.6821 99 E 4.1915 7.1313 118.3746 58.4801 29.3520 179.1062 100 G 3.8537 7.5874 103.4128 45.4380 0.0000 174.6554 101 I 4.4690 7.2121 113.5669 60.8724 38.9699 177.3153 102 E 3.7576 8.3650 119.9209 59.5593 29.3258 178.0060 103 H 4.7169 7.7889 113.5849 55.8527 28.6910 174.8038 104 H 4.9224 8.1109 114.8571 55.1105 29.8087 172.9226 105 L 4.6662 7.6032 119.2937 52.3858 44.0513 177.2932 106 S 4.3306 8.3027 118.1171 57.9135 65.1414 175.4294 107 W 4.0943 8.6241 121.8159 59.5234 28.7509 178.2598 108 N 4.3405 8.3217 116.8285 56.9408 38.3929 176.8399 109 S 4.0798 7.8277 116.1719 61.6173 62.9092 176.6524 110 I 3.6166 7.7197 122.3556 64.7636 36.9965 178.3221 111 D 4.5259 8.7543 119.8822 57.4069 40.6237 179.0653 112 R 4.0298 8.1589 118.7083 59.0222 29.9578 179.0418 113 I 3.7209 8.0642 120.2090 63.8746 36.9940 178.5446 114 G 3.7063 8.1875 106.9080 48.0272 0.0000 175.5478 115 D 4.4686 8.0690 121.1032 56.8295 40.8070 178.5909 116 L 4.0033 7.9446 121.0537 58.1908 42.2134 179.2633 117 V 3.8611 8.2854 118.5913 66.1379 31.1970 177.8123 118 Q 4.0647 8.2619 119.4590 59.0882 28.6377 177.4099 119 Y 4.0555 8.3187 120.2200 60.9746 38.9725 178.2204 120 F 4.1920 8.1787 116.5375 60.0311 39.0602 177.2457 121 E 4.2592 7.9720 117.6964 58.4508 29.3286 177.2398 122 E 4.2688 7.4294 114.7813 55.6822 30.1994 175.8680 123 D 4.2143 7.3927 115.4609 52.8030 42.6621 175.7049 124 D 4.4389 8.6075 128.3286 57.1941 40.7383 178.3495 125 A 3.9992 8.1790 121.5628 55.4158 18.2907 179.8692 126 R 3.9858 7.9215 116.0339 59.3485 30.0162 179.4639 127 K 4.0958 8.0718 117.8277 59.4930 32.1689 179.4452 128 K 4.0029 8.4583 119.0933 59.4377 31.7991 179.1870 129 D 4.3958 8.6456 119.6944 57.3135 40.6427 178.6135 130 L 4.0335 8.2161 120.8406 58.0874 41.9056 178.8545 131 K 3.9088 8.1555 118.7590 59.4389 32.2226 178.7108 132 S 4.2625 8.0575 115.4992 61.7991 62.9419 176.4478 133 I 3.4454 7.5309 122.3416 64.8018 36.6188 178.3515 134 Q 4.1014 7.6450 117.5986 58.1843 28.4628 178.7171 135 K 4.1697 8.4767 119.9729 58.7860 32.6390 176.9163 136 K 4.0201 7.3442 120.6401 57.0363 32.1233 176.4970 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 8.17 4.37 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 1.25 0.00 0.00 3 T 7.34 4.31 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 1.22 0.00 0.00 4 P 0.00 4.17 0.00 2.12 1.98 0.00 3.57 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 5 S 7.89 4.12 0.00 3.91 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 6 M 7.92 3.97 0.00 1.82 1.95 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 7 E 8.45 3.84 0.00 2.01 1.86 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 2.26 2.46 0.00 8 D 7.69 4.30 0.00 2.74 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 9 Y 8.14 3.87 0.00 3.20 2.96 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 10 I 8.01 3.68 1.81 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.72 0.95 0.00 0.00 11 E 8.27 3.96 0.00 2.14 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 0.00 2.35 2.36 0.00 12 Q 8.09 3.97 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 13 I 8.59 3.74 1.98 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 1.50 1.02 1.00 0.00 0.00 14 Y 8.42 4.04 0.00 3.21 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 15 M 8.33 4.10 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.71 0.00 16 L 8.05 3.99 0.00 1.83 1.65 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.78 3.76 1.83 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.75 0.83 0.00 0.00 18 E 7.67 3.80 0.00 1.97 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 0.00 1.85 2.07 0.00 19 E 8.34 3.97 0.00 1.85 1.93 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 2.22 2.28 0.00 20 K 8.08 4.10 0.00 1.34 0.75 0.00 1.49 0.00 0.00 1.44 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.20 1.22 7.81 21 G 9.32 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 22 Y 6.28 4.62 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 23 A 8.69 4.68 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 24 R 8.46 4.67 0.00 2.14 1.91 0.00 3.20 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.98 0.00 25 V 8.51 3.66 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 1.12 0.00 0.00 0.98 0.00 0.00 26 S 8.07 4.11 0.00 4.10 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.00 4.44 0.00 2.92 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 28 I 8.15 3.72 2.06 0.00 0.00 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 1.49 0.85 0.92 0.00 0.00 29 A 8.65 3.98 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 30 E 8.33 3.90 0.00 2.07 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 2.29 2.32 0.00 31 A 7.74 4.09 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 32 L 7.96 4.14 0.00 1.46 1.51 -0.22 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.31 3.72 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 34 V 7.94 4.59 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 0.74 0.00 0.00 1.01 0.00 0.00 35 H 8.56 4.50 0.00 3.22 3.20 0.00 5.88 0.00 0.00 0.00 0.00 6.63 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 4.34 0.00 2.23 2.27 0.00 3.35 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 37 S 7.80 4.10 0.00 4.13 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.03 4.11 0.00 4.15 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 39 V 7.90 3.75 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 1.06 0.00 0.00 40 T 8.04 3.85 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 1.21 0.00 0.00 41 K 8.05 3.88 0.00 1.81 1.95 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.40 7.81 42 M 7.76 3.73 0.00 1.48 1.32 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.81 0.00 43 V 7.93 3.49 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 0.88 0.00 0.00 0.95 0.00 0.00 44 Q 7.55 3.39 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 1.80 2.44 0.00 45 K 7.66 3.93 0.00 1.77 1.86 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.46 7.81 46 L 8.40 4.21 0.00 1.83 1.80 0.85 0.78 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 47 D 8.23 4.71 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.90 3.95 0.00 1.83 2.03 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.51 7.81 49 D 7.91 4.57 0.00 3.03 2.67 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 50 E 8.09 3.80 0.00 1.94 1.96 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 2.21 2.38 0.00 51 Y 8.38 4.28 0.00 3.23 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.44 5.22 0.00 2.02 1.85 1.06 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 53 I 9.06 5.06 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.09 0.93 0.00 0.00 54 Y 9.11 4.88 0.00 3.02 2.88 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 *59 G 8.66 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 0.00 0.00 0.00 60 L 8.72 4.49 0.00 1.86 1.80 1.01 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.46 4.58 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 1.10 0.00 0.00 1.01 0.00 0.00 62 L 8.63 4.96 0.00 1.67 1.70 1.14 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.70 4.45 4.26 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 0.00 0.00 0.00 1.25 0.00 0.00 64 S 8.85 4.13 0.00 4.09 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 65 K 8.07 4.07 0.00 1.80 1.78 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.21 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.50 1.49 7.81 66 G 8.02 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 67 K 8.55 4.26 0.00 2.05 2.05 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.63 1.76 7.81 68 K 8.14 3.97 0.00 1.86 1.87 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.72 7.81 69 I 7.84 3.84 2.13 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.27 0.94 0.00 0.00 70 G 8.33 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 7.79 3.21 0.00 1.76 1.86 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.55 7.81 72 R 7.94 4.07 0.00 2.25 2.43 0.00 3.49 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 73 L 8.19 4.01 0.00 1.79 1.74 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.84 3.63 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 1.12 0.00 0.00 1.11 0.00 0.00 75 Y 8.09 4.08 0.00 3.21 3.28 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 76 R 8.58 3.74 0.00 1.93 1.80 0.00 2.21 0.00 0.00 2.82 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.94 0.00 77 H 8.35 3.92 0.00 3.49 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.27 3.94 0.00 2.08 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 2.65 2.52 0.00 79 L 7.74 3.82 0.00 1.20 1.52 0.90 0.97 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 80 L 7.95 4.12 0.00 1.81 1.68 0.80 0.77 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 81 E 8.11 3.94 0.00 2.20 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 0.00 2.29 2.43 0.00 82 Q 8.26 4.01 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 83 F 8.72 4.32 0.00 3.03 3.22 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 0.00 84 L 7.97 3.36 0.00 1.58 1.49 0.85 0.37 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 85 R 7.98 3.75 0.00 1.93 2.03 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 86 I 7.78 3.60 2.07 0.00 0.00 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 1.57 0.70 0.65 0.00 0.00 87 I 7.09 3.93 1.66 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.23 0.69 0.00 0.00 88 G 7.72 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 0.00 0.00 0.00 89 V 7.31 3.64 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 0.72 0.00 0.00 0.79 0.00 0.00 90 D 8.59 4.39 0.00 2.75 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 91 E 9.06 3.87 0.00 2.05 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 2.37 2.47 0.00 92 E 8.22 4.03 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 2.31 2.40 0.00 93 K 7.93 4.28 0.00 1.87 1.82 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.59 7.81 94 I 7.48 3.67 2.01 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 1.34 0.85 0.90 0.00 0.00 95 Y 8.08 4.12 0.00 3.06 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 96 N 8.24 4.17 0.00 2.78 2.83 0.00 0.00 7.06 8.08 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 97 D 7.77 4.29 0.00 2.79 2.66 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 98 V 7.73 3.47 1.96 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 0.79 0.00 0.00 0.85 0.00 0.00 99 E 7.13 4.19 0.00 1.81 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 1.47 1.47 0.00 100 G 7.59 3.85 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 0.00 101 I 7.21 4.47 1.85 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 1.80 0.87 0.92 0.00 0.00 102 E 8.36 3.76 0.00 1.93 2.19 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 2.16 1.62 0.00 103 H 7.79 4.72 0.00 2.96 3.18 0.00 5.64 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.11 4.92 0.00 3.04 3.22 0.00 5.79 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.60 4.67 0.00 1.43 1.42 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.30 4.33 0.00 4.09 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 0.00 107 W 8.62 4.09 0.00 3.47 3.28 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 0.00 108 N 8.32 4.34 0.00 2.89 2.85 0.00 0.00 7.24 7.63 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 0.00 109 S 7.83 4.08 0.00 3.95 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 0.00 110 I 7.72 3.62 2.08 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 1.52 0.35 1.04 0.00 0.00 111 D 8.75 4.53 0.00 2.93 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 0.00 112 R 8.16 4.03 0.00 1.93 1.93 0.00 3.28 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 113 I 8.06 3.72 1.83 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.61 0.34 0.00 0.00 114 G 8.19 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 0.00 115 D 8.07 4.47 0.00 2.89 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 0.00 116 L 7.94 4.00 0.00 1.86 1.89 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.29 3.86 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 1.04 0.00 0.00 1.11 0.00 0.00 118 Q 8.26 4.06 0.00 2.45 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.56 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 119 Y 8.32 4.06 0.00 2.90 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.18 4.19 0.00 3.21 3.11 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 0.00 0.00 0.00 121 E 7.97 4.26 0.00 2.19 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 0.00 2.70 2.53 0.00 122 E 7.43 4.27 0.00 2.03 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 2.45 2.10 0.00 123 D 7.39 4.21 0.00 2.51 2.35 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 0.00 124 D 8.61 4.44 0.00 2.81 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 0.00 125 A 8.18 4.00 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 0.00 126 R 7.92 3.99 0.00 2.00 1.90 0.00 2.60 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.48 0.00 127 K 8.07 4.10 0.00 2.02 1.86 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.60 1.79 7.81 128 K 8.46 4.00 0.00 1.95 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.75 7.81 129 D 8.65 4.40 0.00 3.00 2.80 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 0.00 130 L 8.22 4.03 0.00 2.08 1.85 1.01 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.16 3.91 0.00 1.91 1.97 0.00 1.83 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.52 7.81 132 S 8.06 4.26 0.00 4.16 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 7.53 3.45 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.07 0.93 0.00 0.00 134 Q 7.64 4.10 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 135 K 8.48 4.17 0.00 1.71 1.85 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.69 1.61 7.81 136 K 7.34 4.02 0.00 1.99 1.77 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.69 1.58 7.81 * Residues marked with a * may have inaccurate shift predictions.