NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3835 8.2649 123.5915 51.8832 19.9588 175.9900 3 I 3.9859 8.2563 120.7531 59.6042 38.2376 173.8966 4 D 4.5754 8.3986 125.1353 53.1183 42.7444 176.7322 5 V 2.6381 8.3118 127.3490 64.8791 30.8497 178.0257 6 L 4.7053 7.9685 118.9017 56.1596 41.5263 178.2374 7 D 4.4881 7.9474 118.2307 55.5588 41.0082 178.1711 8 V 3.9365 7.2256 117.8196 63.3919 32.6062 175.7018 9 I 4.3245 7.4791 119.7482 58.2875 40.1934 175.5146 10 S 4.4899 8.2728 120.4187 57.9985 64.9375 174.8929 11 L 4.1166 8.4890 124.4923 58.4862 41.8642 179.0776 12 S 4.1102 8.1329 112.5304 61.5876 62.2452 176.1612 13 L 3.8778 7.8036 121.3962 57.7012 41.1703 179.3020 14 F 3.7858 7.7990 117.6852 60.6097 38.7395 177.9611 15 K 4.1297 8.3124 117.8908 59.6076 31.8181 179.5082 16 Q 4.0452 8.1554 118.4064 58.6968 28.3363 178.2702 17 Q 4.0280 8.0638 120.3511 58.8451 29.1716 177.7881 18 I 4.1967 7.4054 110.4093 59.5173 38.7077 175.1160 19 E 3.7060 7.8989 118.7381 58.1023 27.3374 175.2684 20 F 4.7502 8.5598 120.0766 56.6598 40.8046 174.2983 21 E 4.2350 8.2143 127.8699 57.7551 30.2043 177.1581 22 E 4.0200 6.9912 117.0065 56.5172 29.9197 176.2983 23 D 4.9029 8.4306 119.4283 54.4167 41.8572 176.6070 24 D 4.8343 8.1230 118.1245 53.6562 39.6511 176.5654 25 R 4.7761 7.8632 117.4696 55.9496 31.7768 177.0878 26 D 4.3865 8.4207 121.1096 57.4148 40.7356 178.0352 27 E 3.8511 8.0662 119.3279 59.0407 29.8021 178.3291 28 L 3.6028 7.7377 119.7867 58.1957 42.1429 178.6548 29 I 3.8412 7.8506 119.8779 64.9322 37.0001 178.4346 30 T 3.7051 8.1271 116.6725 66.5363 68.1463 176.3800 31 L 4.0569 7.7202 122.1578 58.3494 42.0160 178.6487 32 Y 4.3825 7.8817 116.4983 61.0576 37.7935 178.3925 33 A 3.7420 8.3094 121.8227 55.2076 18.2510 179.7485 34 Q 4.0316 8.3501 116.5540 59.0023 28.7744 178.8797 35 A 4.0802 8.4677 121.8510 55.1955 18.4363 179.5834 36 A 4.1086 8.5531 119.7263 55.1985 18.2471 179.7287 37 F 4.2729 8.3896 118.2865 61.5193 39.6422 176.3277 38 D 4.4942 8.4078 116.7395 57.6527 41.2612 177.4904 39 Y 4.3110 8.2570 119.6219 60.8960 38.7727 179.2591 40 C 4.3545 8.2379 115.6402 60.2293 27.8488 175.9399 *42 R 4.1361 7.9746 121.6745 56.0980 31.7727 177.9120 43 W 3.7347 8.1066 126.3813 60.5420 31.0099 177.0088 44 C 4.1394 8.7492 116.4576 61.1722 28.0114 173.5561 45 D 4.1161 7.1009 116.9093 55.2897 39.4115 174.3025 46 E 3.9747 7.0576 119.9480 53.4312 29.7115 173.9035 47 P 4.1131 0.0000 0.0000 65.2225 31.5613 177.8415 48 A 4.1281 7.9061 118.6915 52.9446 18.1862 177.9624 49 W 4.9084 7.3674 117.2560 55.5591 27.9363 175.9679 50 K 4.3174 9.3923 123.2469 57.5420 32.5156 177.8275 51 V 4.5570 7.7106 109.7145 58.7466 35.4758 176.0546 52 A 3.9311 8.7431 123.7688 55.5984 18.1259 179.9334 53 A 4.1367 7.8451 116.4136 54.5168 18.6496 178.2686 54 D 4.4311 8.0978 115.6782 56.5535 41.1588 177.1156 55 I 2.8667 7.1138 120.4133 59.9730 37.4902 174.9625 56 P 4.2306 0.0000 0.0000 61.8506 33.1582 177.1756 57 A 3.9154 8.4727 121.9890 55.4988 18.3309 180.1473 58 A 3.9507 7.9513 118.6554 55.2913 18.4945 179.9018 59 V 3.5950 7.6359 116.3330 65.9595 31.6669 178.1419 60 K 4.0339 8.1750 118.4915 59.3855 31.8170 179.3357 61 G 3.6562 8.3130 105.7779 47.8587 0.0000 175.5238 62 A 4.0383 8.1141 123.3974 54.8007 18.3919 179.8243 63 V 3.7100 8.0774 116.8013 66.2835 31.6356 178.1558 64 L 4.2761 8.0899 118.6842 57.9834 41.4451 179.6328 65 L 4.0908 7.8307 118.5680 57.6858 41.3690 179.7097 66 V 3.5622 7.9625 117.5192 65.7758 31.5699 177.4923 67 F 4.2728 8.6439 119.5067 61.4812 39.6277 176.7214 68 A 3.8302 8.3702 120.2760 54.7343 18.0053 179.5261 69 D 4.1603 7.8423 114.1998 55.0034 40.9815 177.7730 *71 F 3.8810 7.9994 121.2692 57.2103 40.9781 175.6949 72 E 3.8907 7.8860 118.6342 57.7513 29.6252 175.7954 73 H 4.6831 7.9894 115.6075 54.1635 29.6477 173.5016 74 R 4.2253 8.3400 123.2610 56.3004 30.8782 176.9760 75 T 4.5942 7.3804 108.0100 59.2341 71.1735 175.0711 76 A 4.0180 8.5747 126.2510 54.2981 18.8049 177.7412 77 Q 4.6633 7.3518 111.1700 54.0038 32.0975 174.8687 78 S 4.7976 8.1507 114.4830 56.2314 66.2096 174.0754 79 E 4.0508 8.7568 120.7194 58.5600 29.5589 177.8402 80 V 4.2572 7.3585 111.5128 58.9569 33.3039 175.4763 81 Q 3.8279 8.5056 125.5453 56.2664 29.4256 175.3186 82 L 4.4543 7.8698 123.8765 53.0401 43.7923 175.3013 83 Y 4.7092 7.9726 119.5010 55.6285 40.1873 175.4701 84 E 3.9182 8.8138 125.2987 56.2904 30.0816 175.4641 85 N 4.6567 8.6696 124.3855 52.2121 39.5670 175.3424 86 A 4.0270 8.6841 128.3620 55.0523 18.1845 178.6561 87 A 3.9553 8.2571 118.7234 55.2782 18.3885 179.4947 88 A 4.0643 7.4843 118.0789 55.3593 18.6403 179.3644 89 E 3.7352 7.9536 114.2111 58.8242 31.4118 178.3556 90 R 4.2381 7.6839 120.0620 56.1711 27.8468 176.3602 *93 F 5.2226 8.0117 123.4057 58.1709 41.4550 176.4462 94 I 4.1661 7.7255 110.1347 62.6401 37.5346 175.8632 95 H 5.0399 8.0614 117.0588 55.5004 29.8514 172.8538 96 R 3.9643 7.6305 120.8505 55.8653 30.4168 175.4836 97 N 4.2831 8.4401 126.4494 52.9430 39.4660 174.7986 98 W 4.5352 8.4595 125.2434 56.7923 29.0877 176.3481 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 A 8.26 4.38 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 3 I 8.26 3.99 2.28 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.87 0.98 0.00 0.00 4 D 8.40 4.58 0.00 2.66 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 2.64 1.68 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 0.83 0.00 0.00 0.94 0.00 0.00 6 L 7.97 4.71 0.00 1.61 1.76 0.90 1.03 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 7 D 7.95 4.49 0.00 2.71 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 8 V 7.23 3.94 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 0.82 0.00 0.00 0.75 0.00 0.00 9 I 7.48 4.32 1.18 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.85 -0.05 0.00 0.00 10 S 8.27 4.49 0.00 4.00 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 11 L 8.49 4.12 0.00 1.81 1.74 0.94 0.79 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 12 S 8.13 4.11 0.00 3.92 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 13 L 7.80 3.88 0.00 1.64 1.38 0.76 1.11 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 14 F 7.80 3.79 0.00 3.00 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 0.00 0.00 0.00 15 K 8.31 4.13 0.00 2.04 2.19 0.00 1.76 0.00 0.00 1.87 0.00 0.00 3.17 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.64 1.77 7.81 16 Q 8.16 4.05 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 17 Q 8.06 4.03 0.00 2.05 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.98 0.00 0.00 0.00 0.00 0.00 2.78 2.61 0.00 18 I 7.41 4.20 1.44 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.77 0.78 0.00 0.00 19 E 7.90 3.71 0.00 2.19 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 2.28 2.26 0.00 20 F 8.56 4.75 0.00 2.65 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 21 E 8.21 4.23 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 2.22 2.34 0.00 22 E 6.99 4.02 0.00 1.41 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 2.14 1.96 0.00 23 D 8.43 4.90 0.00 2.65 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 24 D 8.12 4.83 0.00 2.83 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 25 R 7.86 4.78 0.00 2.08 1.94 0.00 3.32 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.76 0.00 26 D 8.42 4.39 0.00 2.71 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 27 E 8.07 3.85 0.00 2.01 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 0.00 2.32 2.32 0.00 28 L 7.74 3.60 0.00 1.64 1.63 0.59 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.85 3.84 1.98 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 1.59 0.51 1.09 0.00 0.00 30 T 8.13 3.71 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 1.16 0.00 0.00 31 L 7.72 4.06 0.00 1.72 1.62 0.86 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.88 4.38 0.00 3.34 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 33 A 8.31 3.74 0.27 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 34 Q 8.35 4.03 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 35 A 8.47 4.08 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 36 A 8.55 4.11 1.63 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 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.39 4.27 0.00 3.15 3.35 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 38 D 8.41 4.49 0.00 2.86 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 39 Y 8.26 4.31 0.00 3.24 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 40 C 8.24 4.35 0.00 3.06 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 *42 R 7.97 4.14 0.00 1.92 1.94 0.00 3.25 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 43 W 8.11 3.73 0.00 2.88 3.15 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 44 C 8.75 4.14 0.00 3.17 3.08 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 45 D 7.10 4.12 0.00 2.64 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 46 E 7.06 3.97 0.00 1.16 1.12 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 1.47 1.47 0.00 47 P 0.00 4.11 0.00 1.97 2.01 0.00 3.49 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 48 A 7.91 4.13 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 49 W 7.37 4.91 0.00 3.36 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 50 K 9.39 4.32 0.00 1.78 1.91 0.00 1.60 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.48 7.81 51 V 7.71 4.56 2.10 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 0.84 0.00 0.00 1.07 0.00 0.00 52 A 8.74 3.93 1.30 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 53 A 7.85 4.14 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 54 D 8.10 4.43 0.00 2.89 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 I 7.11 2.87 1.72 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 1.48 0.88 0.64 0.00 0.00 56 P 0.00 4.23 0.00 1.71 1.68 0.00 2.42 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 57 A 8.47 3.92 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 58 A 7.95 3.95 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.64 3.60 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 1.03 0.00 0.00 0.96 0.00 0.00 60 K 8.17 4.03 0.00 1.97 1.77 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.48 7.81 61 G 8.31 3.66 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 0.00 0.00 0.00 62 A 8.11 4.04 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 63 V 8.08 3.71 2.39 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 1.40 0.00 0.00 1.27 0.00 0.00 64 L 8.09 4.28 0.00 1.99 1.78 0.84 0.29 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 65 L 7.83 4.09 0.00 1.87 1.74 0.96 1.25 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 66 V 7.96 3.56 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 0.71 0.00 0.00 0.99 0.00 0.00 67 F 8.64 4.27 0.00 3.13 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 68 A 8.37 3.83 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 69 D 7.84 4.16 0.00 2.87 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 *71 F 8.00 3.88 0.00 2.39 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 72 E 7.89 3.89 0.00 1.57 1.68 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 2.53 2.36 0.00 73 H 7.99 4.68 0.00 3.02 3.12 0.00 5.66 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.34 4.23 0.00 1.70 1.89 0.00 3.23 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.38 0.00 75 T 7.38 4.59 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 1.17 0.00 0.00 76 A 8.57 4.02 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 77 Q 7.35 4.66 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 78 S 8.15 4.80 0.00 3.86 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 79 E 8.76 4.05 0.00 1.94 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 2.29 2.37 0.00 80 V 7.36 4.26 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 0.68 0.00 0.00 0.89 0.00 0.00 81 Q 8.51 3.83 0.00 1.82 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 82 L 7.87 4.45 0.00 1.46 1.37 0.72 0.50 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 83 Y 7.97 4.71 0.00 2.95 2.84 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 84 E 8.81 3.92 0.00 1.94 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 0.00 2.32 2.32 0.00 85 N 8.67 4.66 0.00 2.78 2.70 0.00 0.00 7.09 8.15 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 86 A 8.68 4.03 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 87 A 8.26 3.96 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 88 A 7.48 4.06 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 89 E 7.95 3.74 0.00 2.04 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 2.27 2.63 0.00 90 R 7.68 4.24 0.00 2.02 1.97 0.00 3.15 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 *93 F 8.01 5.22 0.00 3.54 3.40 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 94 I 7.73 4.17 1.92 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 1.42 0.81 1.16 0.00 0.00 95 H 8.06 5.04 0.00 3.37 3.82 0.00 5.89 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.63 3.96 0.00 1.60 1.31 0.00 2.67 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 97 N 8.44 4.28 0.00 2.48 2.55 0.00 0.00 7.18 7.51 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 98 W 8.46 4.54 0.00 3.11 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 * Residues marked with a * may have inaccurate shift predictions.