NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3362 0.0000 0.0000 62.4836 32.9440 175.3925 3 H 4.4523 8.5318 114.6923 56.1172 30.0640 173.0951 4 H 5.4900 10.5970 120.9027 54.2806 31.5586 173.1269 5 I 4.8572 8.8466 124.5949 59.3222 40.3142 174.7208 6 V 4.8720 8.4308 125.5340 61.1595 34.3567 174.0421 7 I 4.7174 8.7636 128.8393 59.7454 39.5231 174.8336 8 V 4.6762 8.7667 128.2821 61.5669 32.4111 173.5654 9 E 4.8030 9.1417 127.0948 55.1528 33.6258 173.4342 10 D 5.0329 8.6650 125.1225 52.0100 41.0226 174.2222 11 E 4.6022 7.8768 122.5209 52.2451 30.6271 173.0726 12 P 4.2170 0.0000 0.0000 65.4090 31.5910 177.6897 13 V 3.7818 7.8818 115.7215 64.9769 31.7285 176.9851 14 T 4.5352 8.0350 107.6180 61.2140 69.9012 175.7357 15 Q 3.9514 8.1246 122.5998 59.4861 29.1361 177.9377 16 A 4.0149 7.9854 121.0715 55.1458 18.3967 179.3725 17 R 3.9739 7.9780 116.7140 59.5365 30.3059 178.5949 18 L 4.0081 8.0930 118.7430 57.9539 41.6185 179.4464 19 Q 4.1527 8.4632 118.2413 59.0311 28.6334 178.9809 20 S 4.0999 8.6899 114.3185 61.6365 62.4442 175.6005 21 Y 3.8092 8.4178 119.7030 61.3533 37.6762 179.0225 22 F 4.6937 8.2228 118.3205 60.7742 38.9410 178.0784 23 T 4.2817 8.3354 117.0590 66.3908 68.0825 176.7973 24 Q 3.9883 8.1251 118.6335 58.5737 28.7692 177.8480 25 E 4.1762 7.7313 117.2405 56.8494 29.7535 177.5632 26 G 3.8595 8.1584 108.1374 44.8968 0.0000 173.4417 27 Y 4.9300 7.6343 117.9115 57.4737 39.8982 174.7269 28 T 4.5396 8.7468 112.5901 61.1425 70.8868 173.8134 29 V 4.8376 8.4392 123.9571 61.4309 34.0808 174.3748 30 S 4.8730 8.8636 124.4312 56.7962 65.2144 173.5131 31 V 4.9155 8.2749 123.6038 61.7827 33.9484 174.4337 32 T 4.7023 8.8950 119.1561 61.1985 70.9207 173.7675 33 A 4.7294 8.9857 128.2206 51.5858 19.9252 177.6160 34 S 4.8284 7.5161 110.7867 55.4465 67.5029 174.9268 35 G 3.6852 8.8567 110.2132 48.0156 0.0000 175.9709 36 A 4.0783 8.0242 122.5126 55.0984 18.5294 179.7201 37 G 4.2139 8.4342 105.9455 47.2683 0.0000 175.6550 38 L 3.9483 7.6447 121.7305 58.0828 42.2316 178.8085 39 R 4.0519 7.9278 117.0175 59.3992 30.0816 178.3929 40 E 4.1499 8.0419 117.9631 58.9340 29.9943 179.6396 41 I 3.8900 7.7556 121.3875 62.2441 36.9311 178.5676 *43 Q 4.3250 8.0977 120.1254 54.6776 30.1852 178.5461 44 N 4.8027 7.8462 112.3460 54.1465 39.4512 174.7940 45 Q 4.6063 7.4621 114.1259 54.5071 31.3304 174.0353 46 S 4.3793 8.4283 114.0937 57.9220 64.0421 173.6667 47 V 4.4232 8.1590 122.2037 61.3572 33.9127 174.6671 48 D 4.7069 9.0831 126.9760 56.0955 42.6540 176.3138 49 L 5.0294 7.5587 118.4052 53.6699 45.9563 174.2991 50 I 4.8808 8.9050 126.3124 59.4006 40.2886 174.1653 51 L 4.7926 8.8270 129.9442 53.5864 43.6760 174.8191 52 L 4.9353 8.8554 130.0539 53.1556 44.3154 174.6707 53 D 5.1499 8.8812 128.1571 53.8188 41.2863 176.3963 54 I 4.0025 8.3878 119.3299 62.2007 38.4331 176.8118 55 N 4.5558 8.4365 121.5999 52.8916 36.4295 172.5241 56 L 4.6115 7.5454 119.3975 51.7787 43.2804 175.4650 57 P 4.2247 0.0000 0.0000 65.7449 31.3396 178.1273 58 D 5.0321 7.8160 114.4436 52.1082 40.8601 176.9041 59 E 4.6023 7.8445 118.8311 55.8720 32.7276 174.3353 60 N 4.6647 8.5475 122.7980 52.0579 38.7077 175.1159 61 G 3.7410 8.4994 116.3025 48.2623 0.0000 174.7281 62 L 4.2536 7.8250 117.9992 55.2169 41.0977 178.6913 *64 L 4.2229 8.0573 122.7231 55.5208 44.0121 178.5987 65 T 3.8665 8.2388 115.5876 66.8618 68.3860 176.2201 66 R 3.8701 8.0338 119.9451 59.5490 30.2012 178.4287 67 A 4.0239 7.8507 119.9668 54.8928 18.4478 179.3665 68 L 3.9110 8.2536 117.9926 58.1481 41.5482 179.8488 69 R 4.0707 7.8592 117.0582 59.4142 30.0607 178.0517 70 E 4.1557 8.2921 120.2578 59.8188 29.4727 179.6334 71 R 4.2837 7.6531 119.5717 59.8684 29.8772 178.9338 72 S 4.7163 7.6177 110.3434 58.3683 65.8758 174.4450 73 T 4.4066 8.3395 108.6231 61.4250 68.6190 175.0076 74 V 3.6275 7.2953 121.3293 62.5950 31.8929 176.3276 75 G 3.7573 8.8021 110.8875 46.7184 0.0000 172.3589 76 I 5.1257 9.1874 124.6949 59.4646 41.1227 174.2963 77 I 4.9332 8.6813 128.1459 59.4495 39.8476 175.0627 78 L 4.8777 8.8681 127.4593 54.0903 43.7673 175.9017 79 V 4.9702 8.8483 123.0668 61.5283 33.6588 174.6602 80 T 5.0278 8.8249 117.2300 59.3747 73.0661 173.6494 81 G 3.9033 8.4970 110.4647 45.1930 0.0000 174.8004 82 R 3.9152 8.6331 122.5637 59.0039 30.1503 177.6815 83 S 4.3381 7.8740 109.8650 59.3686 64.3691 174.2801 84 D 4.6068 7.7731 123.7732 52.9319 39.5957 176.3538 85 R 3.8465 7.9046 123.1462 59.1250 30.5105 178.2984 86 I 3.6497 7.7018 118.8610 64.8512 37.1859 178.1318 87 D 4.3439 8.5251 119.0898 56.7918 40.5842 179.1621 88 R 3.5523 7.6145 118.6203 59.1293 30.0470 179.0213 89 I 3.6624 7.6657 119.3185 64.5296 36.9703 178.8400 90 V 3.7086 7.9031 118.0989 65.8136 31.6105 177.9259 91 G 3.7475 8.1455 105.6327 47.6827 0.0000 175.4908 92 L 4.2344 7.7826 120.4602 57.4193 41.9224 181.0413 93 E 4.2648 7.9292 119.0028 55.7637 29.6626 177.5586 *95 G 3.8258 8.0516 104.7419 44.1696 0.0000 173.7546 96 A 4.1417 7.8114 123.4958 52.2556 18.9172 177.7927 97 D 4.5841 8.9319 122.9571 57.4674 41.6680 175.8273 98 D 4.7303 7.7496 115.8609 53.6648 44.8595 173.3810 99 Y 5.5028 7.6532 118.1343 55.6174 41.4873 174.4087 100 V 4.7618 9.1730 113.0500 60.0231 36.4402 174.6719 101 T 5.2408 8.5337 111.6850 60.3045 71.3744 173.6576 102 K 4.7637 8.5415 122.3173 54.2834 33.6620 175.2957 103 P 4.3956 0.0000 0.0000 62.2341 32.0837 176.2122 104 L 4.0318 8.2974 121.2155 54.8785 42.0871 177.2435 105 E 4.2201 8.5841 124.6388 55.1198 29.7629 176.5647 106 L 3.7698 8.0536 128.0522 57.3058 41.5555 179.3214 107 R 3.8919 7.7681 118.4114 59.4275 30.1003 178.0578 108 E 3.9309 8.1392 119.2233 59.0510 29.5320 178.4850 109 L 3.9446 7.9038 120.5328 58.1448 42.1028 179.1105 110 V 3.8230 7.9183 118.2446 66.0498 31.4640 178.1989 111 V 3.6374 7.6775 117.9304 66.0966 31.4056 178.1704 112 R 3.9731 8.2336 117.9848 59.1999 29.7968 179.2390 113 V 3.5611 8.2668 118.3476 66.0231 31.6068 178.2823 114 K 4.1305 8.5482 118.6265 59.6250 31.9071 179.1561 115 N 4.4702 8.7812 117.2416 56.1891 38.4481 177.2893 116 L 4.0438 8.1737 121.8461 58.1925 42.1393 179.0684 117 L 4.0191 8.3851 119.3305 57.2399 41.2239 179.2328 118 W 4.1130 8.1972 127.9564 60.6420 30.7208 177.9955 119 R 3.6600 7.9081 116.5321 58.8924 29.5332 178.5870 120 I 3.9840 7.5401 118.7644 62.8257 37.4566 175.6897 121 D 4.5215 8.5515 123.8732 54.3413 41.2735 175.5622 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 P 0.00 4.34 0.00 2.33 2.16 0.00 3.79 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 1.95 2.03 0.00 3 H 8.53 4.45 0.00 3.69 3.31 0.00 5.77 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 4 H 10.60 5.49 0.00 3.11 3.17 0.00 5.58 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 5 I 8.85 4.86 1.62 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.56 0.49 0.00 0.00 6 V 8.43 4.87 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 1.10 0.00 0.00 0.91 0.00 0.00 7 I 8.76 4.72 1.89 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 1.09 0.61 0.94 0.00 0.00 8 V 8.77 4.68 2.08 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 1.01 0.00 0.00 0.92 0.00 0.00 9 E 9.14 4.80 0.00 2.06 1.73 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 2.23 2.36 0.00 10 D 8.67 5.03 0.00 2.62 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.88 4.60 0.00 2.03 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 2.28 2.40 0.00 12 P 0.00 4.22 0.00 2.06 2.14 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 13 V 7.88 3.78 2.24 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 0.85 0.00 0.00 0.94 0.00 0.00 14 T 8.03 4.54 4.24 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 1.21 0.00 0.00 15 Q 8.12 3.95 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 16 A 7.99 4.01 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.98 3.97 0.00 1.94 2.05 0.00 3.32 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.96 0.00 18 L 8.09 4.01 0.00 1.98 1.87 1.06 0.79 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 19 Q 8.46 4.15 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 20 S 8.69 4.10 0.00 3.98 4.09 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 21 Y 8.42 3.81 0.00 2.88 2.63 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 22 F 8.22 4.69 0.00 3.40 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 23 T 8.34 4.28 4.36 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 0.00 0.00 0.00 1.26 0.00 0.00 24 Q 8.13 3.99 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 25 E 7.73 4.18 0.00 2.27 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 2.58 2.64 0.00 26 G 8.16 3.86 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 0.00 0.00 0.00 27 Y 7.63 4.93 0.00 3.21 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 28 T 8.75 4.54 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 1.35 0.00 0.00 29 V 8.44 4.84 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 0.92 0.00 0.00 1.13 0.00 0.00 30 S 8.86 4.87 0.00 3.81 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 31 V 8.27 4.92 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 0.83 0.00 0.00 1.03 0.00 0.00 32 T 8.90 4.70 4.24 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 1.27 0.00 0.00 33 A 8.99 4.73 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 34 S 7.52 4.83 0.00 3.99 3.90 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 0.00 0.00 0.00 35 G 8.86 3.69 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 0.00 0.00 0.00 36 A 8.02 4.08 1.32 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 0.00 0.00 0.00 0.00 0.00 37 G 8.43 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 0.00 0.00 0.00 38 L 7.64 3.95 0.00 1.64 1.93 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.93 4.05 0.00 1.98 1.98 0.00 3.21 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 40 E 8.04 4.15 0.00 1.96 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 2.32 2.39 0.00 41 I 7.76 3.89 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.04 0.90 0.00 0.00 *43 Q 8.10 4.33 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.80 6.92 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 44 N 7.85 4.80 0.00 2.85 2.88 0.00 0.00 6.80 7.54 0.00 0.00 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 Q 7.46 4.61 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 46 S 8.43 4.38 0.00 4.03 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 47 V 8.16 4.42 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 0.84 0.00 0.00 0.92 0.00 0.00 48 D 9.08 4.71 0.00 2.69 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 49 L 7.56 5.03 0.00 1.55 1.24 0.79 0.81 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 50 I 8.90 4.88 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.54 0.88 0.00 0.00 51 L 8.83 4.79 0.00 1.63 1.49 1.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.86 4.94 0.00 1.74 1.50 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.88 5.15 0.00 2.83 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 54 I 8.39 4.00 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 1.36 0.70 0.91 0.00 0.00 55 N 8.44 4.56 0.00 2.69 2.96 0.00 0.00 6.98 8.31 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 56 L 7.55 4.61 0.00 1.86 1.57 0.92 1.04 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 57 P 0.00 4.22 0.00 2.03 2.13 0.00 3.62 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 58 D 7.82 5.03 0.00 2.65 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 59 E 7.84 4.60 0.00 1.82 1.79 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 2.22 2.24 0.00 60 N 8.55 4.66 0.00 2.71 2.73 0.00 0.00 7.00 7.98 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 61 G 8.50 3.74 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 0.00 0.00 0.00 62 L 7.83 4.25 0.00 2.00 1.68 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 *64 L 8.06 4.22 0.00 1.74 1.84 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.24 3.87 4.44 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 1.27 0.00 0.00 66 R 8.03 3.87 0.00 2.03 1.92 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 67 A 7.85 4.02 1.32 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 0.00 0.00 0.00 0.00 0.00 68 L 8.25 3.91 0.00 1.84 1.72 0.91 0.67 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 69 R 7.86 4.07 0.00 1.79 1.95 0.00 3.31 0.00 0.00 3.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 70 E 8.29 4.16 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 71 R 7.65 4.28 0.00 1.94 1.84 0.00 3.30 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 72 S 7.62 4.72 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 73 T 8.34 4.41 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 1.20 0.00 0.00 74 V 7.30 3.63 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 0.64 0.00 0.00 0.95 0.00 0.00 75 G 8.80 3.76 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 0.00 0.00 0.00 76 I 9.19 5.13 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.01 0.91 0.00 0.00 77 I 8.68 4.93 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.81 0.92 0.00 0.00 78 L 8.87 4.88 0.00 1.71 1.61 0.91 0.48 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 79 V 8.85 4.97 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 1.02 0.00 0.00 0.96 0.00 0.00 80 T 8.82 5.03 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 1.17 0.00 0.00 81 G 8.50 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.63 3.92 0.00 1.80 1.99 0.00 3.41 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 83 S 7.87 4.34 0.00 4.00 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 84 D 7.77 4.61 0.00 2.68 2.63 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 85 R 7.90 3.85 0.00 1.82 1.93 0.00 3.31 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.65 0.00 86 I 7.70 3.65 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.69 0.88 0.00 0.00 87 D 8.53 4.34 0.00 2.79 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 88 R 7.61 3.55 0.00 1.79 1.39 0.00 2.83 0.00 0.00 2.98 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 89 I 7.67 3.66 1.83 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 1.39 0.74 0.90 0.00 0.00 90 V 7.90 3.71 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 0.80 0.00 0.00 0.99 0.00 0.00 91 G 8.15 3.75 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 0.00 0.00 0.00 92 L 7.78 4.23 0.00 1.85 1.80 1.10 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 93 E 7.93 4.26 0.00 1.96 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 2.32 2.37 0.00 *95 G 8.05 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 0.00 0.00 0.00 96 A 7.81 4.14 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 97 D 8.93 4.58 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 98 D 7.75 4.73 0.00 2.65 2.42 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 99 Y 7.65 5.50 0.00 3.04 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 0.00 100 V 9.17 4.76 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 0.81 0.00 0.00 1.01 0.00 0.00 101 T 8.53 5.24 4.35 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 1.36 0.00 0.00 102 K 8.54 4.76 0.00 1.66 1.77 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.55 7.81 103 P 0.00 4.40 0.00 2.16 2.04 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 104 L 8.30 4.03 0.00 1.61 1.60 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.58 4.22 0.00 1.97 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 2.32 2.31 0.00 106 L 8.05 3.77 0.00 1.03 0.59 0.12 0.49 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 0.00 107 R 7.77 3.89 0.00 1.90 2.05 0.00 3.23 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 108 E 8.14 3.93 0.00 2.00 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 2.28 2.30 0.00 109 L 7.90 3.94 0.00 1.88 1.77 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.92 3.82 2.25 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 1.25 0.00 0.00 0.77 0.00 0.00 111 V 7.68 3.64 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 0.90 0.00 0.00 1.03 0.00 0.00 112 R 8.23 3.97 0.00 2.04 1.95 0.00 3.14 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 113 V 8.27 3.56 2.41 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 0.81 0.00 0.00 0.97 0.00 0.00 114 K 8.55 4.13 0.00 1.91 1.97 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.24 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.81 1.97 7.81 115 N 8.78 4.47 0.00 2.77 2.92 0.00 0.00 6.66 6.76 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 0.00 116 L 8.17 4.04 0.00 1.86 1.79 0.93 0.50 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 0.00 117 L 8.39 4.02 0.00 1.70 1.55 0.61 0.60 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 0.00 118 W 8.20 4.11 0.00 3.36 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 3.66 0.00 2.06 1.93 0.00 3.42 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 120 I 7.54 3.98 1.83 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 1.49 0.58 0.88 0.00 0.00 121 D 8.55 4.52 0.00 2.86 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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.