NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3316 8.3344 115.2808 57.7173 63.1262 173.1371 4 I 3.6392 8.1373 128.8472 59.0040 38.4302 174.1116 5 S 4.5622 9.0895 123.1718 57.2557 65.4440 173.6383 6 E 4.0785 8.5456 119.9015 59.3553 29.6627 179.1966 7 K 3.9354 7.7393 119.2326 56.8183 32.0796 178.7736 *9 V 3.9829 7.9772 118.1209 62.3881 33.3436 176.7065 10 E 3.9888 8.1810 119.7087 59.5347 29.4331 178.7878 11 A 4.0595 7.9844 120.2921 55.0809 18.4249 179.6533 12 L 4.0544 7.9016 117.1486 57.8471 41.9117 179.1187 13 N 4.4220 8.8080 116.9438 56.5130 38.4656 177.6440 14 R 4.0577 8.2562 119.4826 59.1097 30.1120 178.7880 15 Q 4.0508 8.0537 119.0377 58.7338 28.9387 178.1838 16 I 3.7436 8.0336 121.2280 64.4138 37.2595 177.4242 17 N 4.3018 8.2131 117.4152 57.2164 38.6573 176.5963 18 A 4.2535 8.2269 121.7245 55.2223 18.4555 179.5159 19 E 4.0919 8.6994 117.7102 59.5879 29.4514 179.6501 20 I 3.8154 8.3874 120.4643 64.3326 36.6871 177.6243 21 Y 4.2476 8.7227 120.7937 61.1167 38.6291 178.4682 22 S 3.7082 8.4744 115.7041 61.3030 62.8511 176.4708 23 A 4.2855 8.1298 123.3862 55.7419 18.3025 179.1748 24 Y 4.3611 8.4314 118.1455 60.6618 38.5712 177.9604 25 L 3.6650 7.8201 121.1438 58.2639 42.2052 178.3796 26 Y 4.4984 7.4844 115.4780 60.8077 37.8198 177.7296 27 L 4.0307 8.1705 121.7377 57.5872 42.0138 178.4725 28 S 4.0823 7.6328 111.6789 58.5779 62.4087 175.5703 *30 A 4.4908 7.9671 124.4073 51.8454 20.4945 179.7665 31 S 4.1081 7.8431 109.7794 61.7958 62.2159 175.8471 32 Y 4.1749 8.0335 121.7953 60.6824 38.5957 177.6832 33 F 3.9890 8.1521 118.1489 59.9691 39.2819 177.2355 34 D 4.3868 8.3919 118.5652 57.2084 40.8245 178.2340 35 S 4.1956 8.1837 114.6121 60.6459 62.7827 175.6134 36 I 4.2884 6.9946 114.1927 60.4015 37.8879 176.6054 37 G 3.9685 8.1419 108.8847 45.9637 0.0000 175.6423 38 L 4.5702 7.7078 122.0984 53.6130 38.8317 177.1604 39 K 4.2344 7.9936 120.9211 58.3064 32.6708 179.0223 40 G 3.5671 8.5571 107.0194 47.6202 0.0000 175.8999 41 F 3.5889 8.3916 118.8140 60.1199 38.9399 176.8952 42 S 4.3813 8.0555 111.5711 61.6457 62.3801 175.5029 43 N 4.5233 8.2065 119.3619 56.4115 38.6329 176.9550 44 W 4.0044 7.7808 126.7833 58.6486 31.0292 177.3551 *46 R 4.4393 7.9301 118.1510 55.9750 31.8472 178.1400 47 V 3.5456 7.9725 117.0073 66.0172 31.3880 177.9688 48 Q 3.8034 7.9271 119.3487 58.6003 28.8219 177.9826 49 W 4.3943 8.1487 129.2555 60.5021 30.5807 177.8943 50 Q 3.4613 7.7794 117.2982 58.5596 28.2630 177.6662 51 E 3.9624 8.2043 119.6857 59.4514 30.0869 178.5713 52 E 4.1087 8.5148 118.7219 58.7536 29.2663 179.4595 53 L 4.2328 7.1775 117.5498 55.1648 41.6868 177.9312 *55 H 4.9552 8.1982 117.5052 56.1994 30.5540 175.0904 56 A 4.2984 7.7372 118.3414 52.8995 17.7968 177.6452 *58 K 4.1237 8.0293 118.1689 57.8348 33.9730 177.0262 *60 F 4.6452 8.0073 120.5185 58.0649 41.0983 176.8027 61 D 4.5153 8.3430 119.8405 57.3176 40.6047 178.3602 62 F 3.9896 8.1315 120.8487 61.0733 39.2436 177.3846 63 V 3.2802 7.6027 117.3645 65.9497 31.2971 177.6235 64 S 3.8717 7.5944 114.4740 61.9421 62.5065 176.4094 65 E 3.5803 8.2734 120.1954 59.5820 29.3296 179.0806 66 R 4.0775 7.2270 114.8256 55.7513 30.3550 177.4977 67 G 3.7644 8.5309 108.2199 45.3732 0.0000 174.1875 68 G 3.7123 7.5092 108.6734 44.8180 0.0000 173.1201 69 R 4.2916 8.0128 119.2441 53.9403 31.5717 175.3414 70 V 4.3791 7.9419 125.0417 61.6405 31.8530 174.8357 71 K 4.2034 8.3425 128.6505 55.0040 33.2358 175.2502 72 L 4.5356 7.9946 125.3232 53.1710 43.4564 175.4227 73 Y 4.7335 8.0859 119.3933 55.2913 41.0260 175.2462 74 A 3.9718 8.6864 123.6212 53.0944 18.7608 177.4924 75 V 4.1670 8.1816 121.8940 61.7362 32.6634 175.6116 76 E 4.3014 8.7480 126.5426 55.4794 30.2138 176.2373 77 E 4.0993 8.9189 123.5169 56.2410 29.9222 175.1916 78 P 4.9690 0.0000 0.0000 60.2794 32.9394 173.4495 79 P 4.4444 0.0000 0.0000 62.5342 31.6933 176.7319 80 S 4.5759 7.6182 109.7947 57.6953 65.2652 173.7218 81 E 4.5828 7.1756 119.3959 54.1953 32.7696 174.8560 82 W 4.8145 7.3286 119.3330 54.6280 33.0459 176.4148 83 D 4.3622 8.9249 120.2738 56.7715 40.7759 177.2359 84 S 4.7597 7.6330 112.3412 56.0821 67.1548 175.7080 85 P 4.4597 0.0000 0.0000 66.0784 31.0110 178.5741 86 L 4.0310 8.0142 117.9894 58.2942 42.1635 178.7858 87 A 4.2659 8.2950 120.4332 54.9428 18.2722 179.5371 88 A 3.1136 8.0360 119.5303 55.2121 18.3371 179.8871 89 F 3.7766 8.2916 115.8624 60.0941 38.9851 177.9638 90 E 4.1473 8.4625 118.8922 59.5883 29.1657 178.6846 91 H 4.4462 8.4011 118.5007 58.9270 29.8814 177.5297 92 V 3.7170 7.8023 120.2986 66.1742 31.3677 177.3337 93 Y 4.2600 8.4559 119.3860 60.9873 38.8172 177.9368 94 E 3.8363 8.5204 119.4783 59.5146 29.4680 178.8297 95 H 4.1842 8.7804 118.6888 59.4930 29.9138 177.2762 96 E 4.0447 8.7210 120.8298 59.3706 29.3340 179.4470 97 V 3.6849 8.2135 120.0935 65.2877 31.4569 177.6559 98 N 4.3238 7.9517 116.7528 56.4310 38.8034 177.0890 99 V 3.6210 8.0000 119.9289 66.1110 31.5826 177.9077 100 T 3.8644 8.2091 115.9419 66.6307 68.3434 176.0669 101 K 3.8600 7.8082 120.6642 59.8761 32.2298 178.9366 102 R 3.9735 8.0708 118.0493 59.3563 30.0074 179.1378 103 I 3.8660 7.8140 119.6332 64.4119 37.2282 178.0924 104 H 4.1626 8.9420 117.3413 58.3839 28.1989 177.7076 105 E 4.0397 7.9387 120.2376 59.2675 29.4671 178.6680 106 L 4.1408 7.8020 118.0132 57.7078 41.6861 179.6145 107 V 3.8712 7.5106 117.2066 65.8872 31.6702 179.6413 108 E 4.2668 7.8412 116.3448 56.2380 29.5334 177.5030 *110 A 4.2378 7.8362 119.3705 52.3479 20.3835 179.1242 *112 Q 4.2530 8.1041 118.0416 57.0663 30.4246 176.2995 113 E 4.2204 8.1713 113.2906 55.8002 29.8953 176.3143 114 K 3.6548 7.8046 116.7515 57.6429 29.8729 176.6941 115 D 4.5320 7.9605 119.7509 53.2282 38.3468 175.7522 116 F 4.7076 7.8035 122.4290 60.1278 39.5122 176.7090 117 A 4.2556 8.2066 120.1662 55.2944 18.2826 179.6355 118 T 4.0484 8.1338 113.3896 66.5944 68.3636 176.3536 119 Y 4.0522 8.1534 120.7869 60.9040 39.1455 177.7680 120 N 4.4605 8.7685 117.5162 56.4335 38.6745 177.0197 121 F 4.0855 8.1497 121.8518 61.3692 39.3212 176.8156 122 L 4.0787 7.8947 117.4073 56.6062 41.4914 179.0473 123 Q 3.8780 7.4945 118.1211 58.3175 28.3998 178.4881 124 W 3.8577 7.6677 128.3217 60.6451 30.7259 177.6962 125 Y 3.9668 8.0350 116.0266 60.4435 37.1049 178.3521 126 V 3.5510 7.5070 118.7482 65.8639 32.0817 177.5562 127 A 3.9923 7.9114 120.6140 55.1056 18.1183 179.1315 128 E 3.4280 7.8642 118.0643 59.4521 29.4869 179.1344 129 Q 4.0193 8.0246 117.9636 58.6999 28.8031 178.8983 130 V 3.5592 7.5319 119.4175 65.9650 31.4972 177.7658 131 E 3.9495 7.9816 118.5551 59.0929 29.5685 178.3062 132 E 4.0311 8.4192 119.0505 59.5764 29.7418 179.0795 133 E 4.1489 8.4653 118.3665 59.7298 29.7237 179.4771 134 A 4.2514 7.9743 120.0968 54.9427 18.2419 179.9549 135 S 4.1638 8.7153 114.3239 61.5538 62.9843 176.5989 136 A 4.3138 8.2597 123.5732 55.3282 18.1618 179.5291 137 L 3.6365 8.2483 118.9358 58.0744 42.0549 178.5674 138 D 4.3825 8.0138 117.9043 57.2791 40.8657 178.1918 139 I 3.5923 6.9723 117.9912 63.3611 37.3768 178.1012 140 V 3.6944 7.6255 119.2587 66.1300 31.2753 177.7950 141 E 3.9098 8.2758 118.4551 59.5892 29.1968 179.7333 142 K 4.0079 7.9757 118.2380 59.1792 32.0368 179.2868 143 L 4.1550 7.8247 119.2669 57.0908 41.4023 179.5668 144 R 3.8768 7.8229 117.0706 59.4062 30.2821 178.3708 145 L 4.0916 7.4377 117.0275 58.0552 41.8405 179.5977 146 I 3.8875 7.7138 119.7704 61.4997 37.1778 179.1720 147 G 3.7825 8.1958 105.9847 47.0466 0.0000 173.8484 148 E 4.3715 8.9558 122.0281 55.7745 29.9886 175.4455 149 D 4.4505 7.9979 120.5502 53.8446 41.7860 176.7527 150 K 3.9709 8.5760 127.3210 59.5016 32.3364 178.9932 151 R 3.8777 8.1317 118.2079 59.6070 30.1140 177.8972 152 A 4.0379 7.8331 119.3287 55.1743 18.3202 179.0116 153 L 3.9668 8.0013 118.6294 58.7724 42.1316 179.4854 154 L 4.1426 8.2150 118.6521 57.5066 41.4937 179.2035 155 F 4.1242 8.7008 121.4361 61.1808 39.2628 176.9003 156 L 3.8949 8.0824 119.6987 57.8256 41.9087 178.2897 157 D 4.2648 8.2673 118.2236 56.9869 40.8989 178.1915 158 K 3.8629 7.8138 119.7238 59.0564 32.5704 177.8382 159 E 3.8308 7.8348 119.7301 59.5561 29.3051 179.0105 160 L 4.0722 8.1065 118.9757 57.1218 41.4385 179.1551 161 S 4.2459 7.6242 113.2277 60.5085 62.9341 175.8270 162 L 4.1225 7.4814 121.5561 55.8843 41.8548 177.3386 163 R 4.0575 7.0318 118.7811 56.2556 30.7198 176.2376 164 Q 4.1614 8.2817 120.8035 56.1351 29.5051 175.4405 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 3 S 8.33 4.33 0.00 3.81 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 4 I 8.14 3.64 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.22 0.82 0.00 0.00 5 S 9.09 4.56 0.00 4.00 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 E 8.55 4.08 0.00 2.01 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 2.38 2.23 0.00 7 K 7.74 3.94 0.00 1.74 1.76 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.38 7.81 *9 V 7.98 3.98 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 0.87 0.00 0.00 0.93 0.00 0.00 10 E 8.18 3.99 0.00 2.14 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 0.00 2.32 2.37 0.00 11 A 7.98 4.06 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 12 L 7.90 4.05 0.00 1.87 1.79 1.07 0.80 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 13 N 8.81 4.42 0.00 3.02 3.05 0.00 0.00 6.98 7.58 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 14 R 8.26 4.06 0.00 2.00 1.94 0.00 2.99 0.00 0.00 2.62 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.69 0.00 15 Q 8.05 4.05 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 16 I 8.03 3.74 2.20 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.82 1.05 0.00 0.00 17 N 8.21 4.30 0.00 3.11 3.16 0.00 0.00 7.21 7.41 0.00 0.00 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 A 8.23 4.25 1.47 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 0.00 0.00 0.00 19 E 8.70 4.09 0.00 2.20 2.32 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 2.68 2.63 0.00 20 I 8.39 3.82 2.09 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 1.43 0.89 0.95 0.00 0.00 21 Y 8.72 4.25 0.00 3.10 3.26 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 0.00 22 S 8.47 3.71 0.00 4.06 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 23 A 8.13 4.29 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 24 Y 8.43 4.36 0.00 3.22 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 25 L 7.82 3.67 0.00 0.82 1.15 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.48 4.50 0.00 3.30 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 27 L 8.17 4.03 0.00 1.13 1.46 0.18 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.63 4.08 0.00 3.92 4.04 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 *30 A 7.97 4.49 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.84 4.11 0.00 3.88 4.10 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 32 Y 8.03 4.17 0.00 3.48 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 33 F 8.15 3.99 0.00 3.30 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 34 D 8.39 4.39 0.00 2.88 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 35 S 8.18 4.20 0.00 4.00 4.15 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 0.00 0.00 0.00 0.00 36 I 6.99 4.29 1.74 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.52 0.67 0.00 0.00 37 G 8.14 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 38 L 7.71 4.57 0.00 1.80 1.78 0.74 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.99 4.23 0.00 1.82 1.88 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.56 1.52 7.81 40 G 8.56 3.57 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 0.00 41 F 8.39 3.59 0.00 2.54 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.06 4.38 0.00 4.09 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 43 N 8.21 4.52 0.00 2.91 3.02 0.00 0.00 6.86 7.23 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 44 W 7.78 4.00 0.00 3.32 3.24 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 0.00 0.00 0.00 0.00 *46 R 7.93 4.44 0.00 2.13 2.15 0.00 3.30 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.63 0.00 47 V 7.97 3.55 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 0.76 0.00 0.00 0.92 0.00 0.00 48 Q 7.93 3.80 0.00 1.34 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 1.35 2.06 0.00 49 W 8.15 4.39 0.00 3.71 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 50 Q 7.78 3.46 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.72 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 51 E 8.20 3.96 0.00 1.84 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 2.10 2.31 0.00 52 E 8.51 4.11 0.00 2.10 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 0.00 2.70 2.92 0.00 53 L 7.18 4.23 0.00 1.49 1.42 0.68 -0.38 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 *55 H 8.20 4.96 0.00 3.56 3.82 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.74 4.30 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 *58 K 8.03 4.12 0.00 1.72 2.07 0.00 0.69 0.00 0.00 0.63 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.60 1.35 7.81 *60 F 8.01 4.65 0.00 3.24 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 61 D 8.34 4.52 0.00 2.99 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 62 F 8.13 3.99 0.00 2.51 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 63 V 7.60 3.28 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 0.85 0.00 0.00 0.93 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0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.02 0.00 0.00 141 E 8.28 3.91 0.00 2.18 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 2.28 2.27 0.00 142 K 7.98 4.01 0.00 1.82 1.80 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.58 7.81 143 L 7.82 4.15 0.00 1.92 1.73 1.03 1.02 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 0.00 144 R 7.82 3.88 0.00 1.94 1.98 0.00 3.21 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 145 L 7.44 4.09 0.00 1.66 1.74 0.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.71 3.89 2.00 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 1.48 0.77 0.98 0.00 0.00 147 G 8.20 3.78 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 0.00 0.00 0.00 148 E 8.96 4.37 0.00 1.96 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 0.00 149 D 8.00 4.45 0.00 2.81 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 0.00 150 K 8.58 3.97 0.00 1.89 1.85 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.56 7.81 151 R 8.13 3.88 0.00 1.89 2.07 0.00 3.18 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 152 A 7.83 4.04 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 0.00 153 L 8.00 3.97 0.00 1.89 1.96 0.93 0.42 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 0.00 154 L 8.21 4.14 0.00 1.93 1.75 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 155 F 8.70 4.12 0.00 3.09 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 0.00 156 L 8.08 3.89 0.00 1.90 1.87 0.69 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.27 4.26 0.00 3.27 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 0.00 158 K 7.81 3.86 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.47 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.37 7.81 159 E 7.83 3.83 0.00 1.83 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 2.18 2.20 0.00 160 L 8.11 4.07 0.00 1.55 1.57 0.58 -0.91 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 0.00 161 S 7.62 4.25 0.00 4.01 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 0.00 162 L 7.48 4.12 0.00 1.86 1.71 0.91 0.71 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 0.00 163 R 7.03 4.06 0.00 1.70 1.77 0.00 2.77 0.00 0.00 2.57 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 164 Q 8.28 4.16 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.42 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.