NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3299 8.3344 115.2808 58.0552 64.3336 174.3281 4 I 3.5517 7.5163 120.0273 59.0528 38.2503 173.9021 5 S 4.4990 9.1531 123.3147 57.4754 65.3157 173.5440 6 E 4.0563 8.7726 121.3036 59.7199 29.5321 180.2876 7 K 4.2704 7.4730 118.5477 56.7402 31.7912 178.6557 *9 V 3.9825 7.9694 118.3586 62.3963 33.2810 176.9536 10 E 3.9815 8.4419 119.7405 59.3094 29.4301 178.6238 11 A 4.0099 8.1528 120.7961 55.1519 18.3368 179.6276 12 L 3.9968 7.9101 117.0241 57.9785 41.4730 179.1410 13 N 4.3713 8.6503 116.8770 56.6479 38.4653 177.6764 14 R 4.0587 8.4491 119.5494 59.2921 30.0435 178.9384 15 Q 4.0173 8.3046 119.4911 59.0565 28.9963 178.2194 16 I 3.8191 8.2410 121.4942 64.1974 37.0409 177.8497 17 N 4.3969 8.4621 117.7353 56.7662 38.8010 176.7706 18 A 4.1693 8.2512 122.2726 55.3174 18.4758 179.4852 19 E 4.0744 8.7487 117.4854 59.6581 29.4867 179.6183 20 I 3.7642 8.0766 119.9474 64.5516 36.6729 177.8535 21 Y 4.0141 8.5706 120.7969 60.6993 38.5271 178.2045 22 S 3.7693 8.6512 116.3038 61.3227 62.8599 176.3217 23 A 4.2324 8.0763 123.3844 55.7139 18.1414 179.1259 24 Y 4.3762 8.3162 118.0319 60.6904 38.5819 177.9316 25 L 3.7114 7.4333 120.7133 58.3638 42.2537 178.2598 26 Y 4.5349 7.2610 115.5037 61.0974 38.0409 178.1843 27 L 3.9552 8.3105 121.6947 57.6591 41.7860 179.1242 28 S 4.4044 7.8938 112.0234 58.3584 62.3374 175.7097 *30 A 4.4970 7.9745 124.0116 51.8704 20.4373 179.8714 31 S 4.1247 7.9100 109.5175 61.5096 61.8969 175.7417 32 Y 4.1154 8.2017 122.2812 60.9146 38.6408 178.1141 33 F 3.8658 8.1090 118.1868 60.3697 38.9124 177.0051 34 D 4.3986 8.4765 118.1942 57.3196 40.8157 178.4755 35 S 4.2101 8.0832 114.0950 60.2258 63.0016 175.4524 36 I 4.2615 6.9850 114.0024 60.4243 37.7494 176.4170 37 G 3.9486 8.0222 109.2218 45.7083 0.0000 175.3515 38 L 4.5706 7.8217 121.0932 53.4501 40.4047 176.8790 39 K 4.1784 8.3281 123.7335 58.7186 32.3636 178.8594 40 G 4.1445 8.3247 107.7041 47.3634 0.0000 175.7691 41 F 3.8705 8.4513 118.7817 60.0916 38.9541 177.1865 42 S 4.4849 8.1800 113.7952 61.9201 62.9422 175.9859 43 N 4.5323 8.4151 119.4426 56.5186 38.6393 177.1983 44 W 4.2872 8.1182 126.3580 58.5298 30.8020 177.4060 *46 R 4.4538 7.9406 118.2620 55.8865 31.7015 178.0815 47 V 3.5819 8.0616 117.2494 65.9073 31.3711 177.9298 48 Q 3.6324 7.9519 119.4383 58.6821 28.9379 177.8686 49 W 4.4593 8.3413 129.0181 60.6644 30.5564 177.8447 50 Q 3.5666 7.9229 117.0209 58.8687 28.2297 178.2217 51 E 4.0266 8.0936 118.6774 59.4814 29.7014 179.0507 52 E 4.0463 8.6589 118.9677 58.9165 29.2258 179.3194 53 L 4.2415 7.2163 117.0621 55.2440 41.7381 178.0044 *55 H 4.9685 8.1591 117.0533 56.2079 30.4803 175.5921 56 A 4.0731 8.1530 116.9132 53.4820 17.8832 177.6633 *58 K 4.1409 7.9960 117.7343 57.5512 33.9164 177.0255 *60 F 4.6767 7.9908 120.5382 58.1647 41.1086 176.8208 61 D 4.5098 8.2881 119.8429 57.2136 40.5858 178.4373 62 F 3.9225 8.3139 121.2439 61.0685 39.2391 177.1620 63 V 3.2751 7.7521 117.6691 66.1531 31.1661 178.0375 64 S 4.3700 7.9068 114.8362 60.6562 62.6961 176.0181 65 E 3.9204 7.8602 119.9338 58.3661 29.5004 178.2816 66 R 4.0430 7.2490 117.4437 55.8487 30.2661 177.1130 67 G 3.7558 7.8740 107.4673 45.5293 0.0000 174.1180 68 G 3.7371 7.8247 109.2098 44.2207 0.0000 173.1629 69 R 4.3519 7.9918 119.8733 53.9688 30.9158 175.9010 70 V 3.7878 7.9239 125.4512 61.6913 31.9444 174.7106 71 K 4.3008 8.4533 128.1917 54.3441 33.8152 174.8568 72 L 4.3730 8.1029 126.1800 53.6723 42.9028 175.3762 73 Y 4.8533 8.0627 119.0168 55.3817 41.3148 175.2271 74 A 4.0982 8.5914 123.7479 52.5004 18.9453 177.2400 75 V 4.3254 8.1181 121.0783 61.0442 32.4741 175.8121 76 E 4.2926 8.7919 126.9857 55.6615 30.1318 176.3990 77 E 4.1403 8.8056 122.9419 56.0176 30.0485 175.0375 78 P 5.0183 0.0000 0.0000 59.8018 33.0601 173.7307 79 P 4.2189 0.0000 0.0000 63.2257 31.2926 176.2340 80 S 4.6309 7.8988 111.1670 56.7769 64.4083 173.6838 81 E 4.4992 6.8597 119.3755 54.2704 32.6166 174.7315 82 W 4.8391 7.3971 119.8439 54.6409 33.1115 176.3029 83 D 4.1224 8.9160 120.2420 56.9544 40.7382 177.0063 84 S 4.7379 7.4453 112.4446 56.1406 67.1420 175.6806 85 P 4.6031 0.0000 0.0000 65.7805 30.9537 178.6835 86 L 4.0550 8.0496 118.3262 58.2156 42.1428 178.6274 87 A 4.2651 8.3359 120.5297 55.2743 18.3213 179.5081 88 A 3.3060 8.1085 119.2262 55.1821 18.4308 179.8830 89 F 3.8823 8.5604 115.9553 60.0509 38.9591 177.9639 90 E 4.1612 8.8095 119.3546 59.6866 29.1970 178.6762 91 H 4.3488 8.3802 118.3228 59.1327 29.8935 177.4950 92 V 3.7499 7.8268 120.1391 66.1572 31.3837 177.1425 93 Y 4.1882 8.2036 119.1899 61.1251 38.6303 178.2075 94 E 3.9331 8.4816 119.2573 59.5512 29.5440 178.9134 95 H 4.2360 8.7078 118.6241 59.3964 29.9214 177.2771 96 E 4.1091 8.5371 120.4059 59.0908 29.2627 179.4991 97 V 3.6170 7.5915 118.7510 65.7693 31.6702 177.4918 98 N 4.2674 8.0909 116.9530 56.6676 38.6798 177.0590 99 V 3.5839 7.7794 119.5577 66.2405 31.6019 178.0034 100 T 3.7703 8.1590 115.8911 66.5624 68.2984 176.1489 101 K 3.8451 8.0779 121.3670 59.8083 32.1650 178.7312 102 R 3.9641 7.8178 118.3214 59.3006 29.9084 178.5092 103 I 3.7316 8.1621 120.2422 64.6385 37.0911 178.0928 104 H 4.3011 8.3766 117.2091 58.8010 28.2212 177.7897 105 E 4.0277 7.9252 119.8444 59.3373 29.3936 178.8914 106 L 4.1640 7.7859 117.9022 57.8628 41.7679 179.4264 107 V 3.9152 7.9020 117.2409 65.9107 31.5292 178.5268 108 E 4.2930 8.0863 115.8331 56.4979 29.5510 177.3008 *110 A 4.2236 7.8256 119.6399 52.3240 20.2205 179.2903 *112 Q 4.2996 8.1053 119.2395 57.3212 30.4934 176.3434 113 E 4.1946 8.0989 113.9166 55.8995 29.9976 176.1200 114 K 3.4873 7.7057 116.8861 57.3597 29.7936 176.5138 115 D 4.4745 7.9617 119.4526 53.2279 39.5651 175.1417 116 F 4.7460 7.8275 123.5270 59.7712 39.2822 176.6873 117 A 4.2659 8.1939 120.4255 55.6069 18.2321 179.6700 118 T 4.0994 8.3171 114.3643 66.7509 68.3056 176.3972 119 Y 4.0953 8.1883 120.6709 60.9479 39.0823 177.6994 120 N 4.5007 9.0307 117.7222 56.3374 38.5234 177.2436 121 F 4.0748 8.6289 122.4684 61.1983 39.4093 177.1059 122 L 3.9459 8.2300 118.3691 57.1611 41.3676 179.1989 123 Q 3.8842 7.5963 118.6093 58.4792 28.4083 178.5354 124 W 3.9092 7.7903 129.6308 60.6182 30.5689 177.6505 125 Y 3.7750 7.9306 116.2493 60.4741 37.3048 177.9531 126 V 3.4958 7.8783 119.1666 65.9873 31.5115 177.9452 127 A 3.8166 7.7078 120.3130 55.1114 18.1063 179.2275 128 E 3.4090 7.6974 118.0282 59.2934 29.4682 178.9617 129 Q 3.9333 8.2133 118.4471 58.7421 28.6926 179.0769 130 V 3.5569 7.4867 119.0427 66.1201 31.6181 177.8835 131 E 3.9644 7.7767 118.1666 59.4634 29.2672 179.2756 132 E 4.0440 8.4248 118.7567 59.5299 29.5862 179.3371 133 E 4.1065 8.5081 118.5131 59.5003 29.5705 179.3594 134 A 4.1351 8.2654 120.8361 55.0474 18.5229 179.9323 135 S 4.1234 8.7649 113.9753 61.8800 62.9877 176.8171 136 A 4.2864 8.2819 123.5038 55.0941 18.0441 179.4661 137 L 3.7321 8.2720 119.0285 58.1992 42.1705 178.6654 138 D 4.3993 8.1527 118.0789 57.4771 41.0551 178.3677 139 I 3.4777 7.5429 119.8804 63.8563 36.8594 178.4126 140 V 3.5561 8.0798 119.6824 66.2028 31.3204 178.0294 141 E 3.9089 8.3886 118.4776 59.1692 29.2081 179.5061 142 K 3.9069 7.8885 118.5239 59.5226 32.1308 179.4683 143 L 4.0124 8.1468 119.5229 57.6777 41.2550 179.7528 144 R 3.9168 7.9951 117.6211 59.2612 30.1078 178.6323 145 L 4.0938 7.7121 118.8706 57.8767 42.3514 178.7597 146 I 3.8665 8.0586 120.4526 61.2762 37.1521 179.0065 147 G 3.7672 8.2884 106.0943 47.0296 0.0000 174.0596 148 E 4.3550 8.9232 122.3533 55.6618 30.1163 175.3286 149 D 4.3540 7.9451 119.7525 54.4536 41.7740 176.6673 150 K 4.0335 8.5835 128.0609 59.3627 32.1672 179.3091 151 R 3.8994 8.0648 118.4173 59.4144 30.0915 178.2880 152 A 3.9836 8.5444 120.7076 54.8376 18.2422 179.3503 153 L 3.9771 7.9566 118.8807 58.5378 42.2758 179.3167 154 L 4.0906 8.1957 118.9537 57.7022 41.4768 179.3567 155 F 4.0168 8.6184 120.9925 61.0661 39.2318 177.0012 156 L 3.9258 8.3530 120.1504 58.0756 41.9229 178.1984 157 D 4.1124 8.5641 118.4616 57.3104 41.0783 178.2962 158 K 3.8117 8.0090 119.8512 59.5142 32.3172 178.3349 159 E 3.7973 7.8524 119.5210 59.2517 29.6241 178.7637 160 L 4.0842 8.0143 119.0108 57.3726 41.3280 179.4263 161 S 4.1653 7.4385 114.4716 61.4711 62.7944 176.1565 162 L 4.1443 7.5905 119.7579 55.4654 41.8416 177.5765 163 R 3.9721 7.3025 119.4289 56.4050 30.6099 176.2473 164 Q 4.1922 8.4394 122.5030 56.1169 29.3845 175.2841 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 3.92 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 4 I 7.52 3.55 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.03 0.86 0.00 0.00 5 S 9.15 4.50 0.00 4.00 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 6 E 8.77 4.06 0.00 2.01 2.04 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 2.38 2.24 0.00 7 K 7.47 4.27 0.00 1.97 1.76 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.38 7.81 *9 V 7.97 3.98 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 0.87 0.00 0.00 0.90 0.00 0.00 10 E 8.44 3.98 0.00 2.17 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 2.33 2.40 0.00 11 A 8.15 4.01 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.91 4.00 0.00 1.74 1.80 1.08 0.80 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 13 N 8.65 4.37 0.00 2.98 3.11 0.00 0.00 7.05 7.36 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 14 R 8.45 4.06 0.00 1.97 1.97 0.00 3.07 0.00 0.00 2.79 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 15 Q 8.30 4.02 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 16 I 8.24 3.82 2.13 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.70 1.08 0.00 0.00 17 N 8.46 4.40 0.00 3.11 3.06 0.00 0.00 7.09 8.13 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 18 A 8.25 4.17 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 19 E 8.75 4.07 0.00 2.22 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 2.70 2.66 0.00 20 I 8.08 3.76 2.07 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 1.40 0.82 0.90 0.00 0.00 21 Y 8.57 4.01 0.00 3.20 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 22 S 8.65 3.77 0.00 4.04 3.80 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 23 A 8.08 4.23 1.62 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 24 Y 8.32 4.38 0.00 3.05 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 25 L 7.43 3.71 0.00 1.03 1.17 1.06 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.26 4.53 0.00 3.22 3.10 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 27 L 8.31 3.96 0.00 1.27 1.49 0.08 -0.19 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 28 S 7.89 4.40 0.00 3.86 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 *30 A 7.97 4.50 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 7.91 4.12 0.00 3.88 4.06 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 32 Y 8.20 4.12 0.00 3.42 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 33 F 8.11 3.87 0.00 3.30 3.27 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 34 D 8.48 4.40 0.00 2.94 2.93 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 35 S 8.08 4.21 0.00 4.03 4.07 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 36 I 6.99 4.26 1.71 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.61 0.64 0.00 0.00 37 G 8.02 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 38 L 7.82 4.57 0.00 1.78 1.96 0.67 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.33 4.18 0.00 1.80 1.89 0.00 1.71 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.47 7.81 40 G 8.32 4.14 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 0.00 41 F 8.45 3.87 0.00 2.65 1.66 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 42 S 8.18 4.48 0.00 4.10 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 43 N 8.42 4.53 0.00 2.79 3.04 0.00 0.00 6.92 8.13 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 44 W 8.12 4.29 0.00 3.42 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 *46 R 7.94 4.45 0.00 2.12 2.15 0.00 3.25 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.63 0.00 47 V 8.06 3.58 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 0.93 0.00 0.00 0.97 0.00 0.00 48 Q 7.95 3.63 0.00 1.56 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.57 0.00 0.00 0.00 0.00 0.00 1.32 2.14 0.00 49 W 8.34 4.46 0.00 3.73 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 50 Q 7.92 3.57 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.55 0.00 51 E 8.09 4.03 0.00 1.89 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 2.30 2.37 0.00 52 E 8.66 4.05 0.00 2.01 2.28 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 2.78 2.86 0.00 53 L 7.22 4.24 0.00 1.54 1.38 0.58 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 *55 H 8.16 4.97 0.00 3.54 3.83 0.00 5.73 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 8.15 4.07 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 *58 K 8.00 4.14 0.00 1.75 2.13 0.00 0.74 0.00 0.00 0.64 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.72 1.42 7.81 *60 F 7.99 4.68 0.00 3.29 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 61 D 8.29 4.51 0.00 3.02 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 62 F 8.31 3.92 0.00 2.33 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 63 V 7.75 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 0.94 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.10 0.00 0.00 141 E 8.39 3.91 0.00 2.11 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 2.26 2.33 0.00 142 K 7.89 3.91 0.00 1.85 1.77 0.00 1.53 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.41 7.81 143 L 8.15 4.01 0.00 1.79 1.73 0.88 1.19 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 0.00 144 R 8.00 3.92 0.00 1.75 1.98 0.00 3.16 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 145 L 7.71 4.09 0.00 1.74 1.66 0.89 1.12 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 0.00 146 I 8.06 3.87 2.02 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 1.45 0.83 0.96 0.00 0.00 147 G 8.29 3.77 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 0.00 0.00 0.00 148 E 8.92 4.36 0.00 1.96 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 2.24 2.22 0.00 149 D 7.95 4.35 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 4.03 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.69 7.81 151 R 8.06 3.90 0.00 1.90 2.06 0.00 3.19 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 152 A 8.54 3.98 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 0.00 153 L 7.96 3.98 0.00 1.91 1.90 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.20 4.09 0.00 1.95 1.75 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 155 F 8.62 4.02 0.00 3.25 3.13 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 0.00 156 L 8.35 3.93 0.00 1.85 1.93 0.67 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.56 4.11 0.00 3.13 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 0.00 158 K 8.01 3.81 0.00 1.83 1.62 0.00 1.45 0.00 0.00 1.20 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.33 7.81 159 E 7.85 3.80 0.00 1.90 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 2.22 2.29 0.00 160 L 8.01 4.08 0.00 1.50 1.54 0.60 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.44 4.17 0.00 4.02 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 0.00 162 L 7.59 4.14 0.00 1.80 1.69 0.93 0.60 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 0.00 163 R 7.30 3.97 0.00 1.83 1.86 0.00 2.47 0.00 0.00 2.62 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 164 Q 8.44 4.19 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.42 0.00 0.00 0.00 0.00 0.00 2.22 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.