NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3692 8.0333 110.9437 61.3175 70.4049 174.4150 3 S 4.1522 8.3274 116.9856 59.2789 62.6747 175.2014 4 T 4.2307 8.6731 113.8866 64.5006 69.2864 176.9105 5 V 3.7756 7.6051 113.9470 64.0800 31.5991 178.2749 6 E 3.8914 8.1309 118.2757 59.3593 29.1295 179.0346 7 F 4.4126 8.2196 120.2822 61.4139 39.5403 176.8047 8 I 3.5597 7.8962 119.2571 64.6822 37.0337 177.5624 9 N 4.8904 8.7772 119.2156 56.2770 38.5528 176.7601 10 R 3.7816 7.8833 119.0831 59.3521 30.2424 179.0315 11 W 3.8848 7.7275 117.9800 59.0425 29.0622 178.8311 12 Q 3.1087 7.7705 118.7128 58.4233 28.1074 178.3789 13 R 3.8056 8.0905 120.1919 59.4699 30.0915 178.7514 14 I 3.7280 7.4156 119.2826 64.3261 37.0006 177.9499 15 A 4.1875 8.1090 121.6407 55.5196 18.0280 179.6927 16 L 3.9575 7.9248 116.9876 58.0841 41.8093 179.4384 17 L 3.9450 7.8222 118.5710 57.9711 41.5959 180.0698 18 S 3.4371 8.1926 113.9782 61.4618 63.0920 176.5049 19 Q 3.9711 7.7605 123.6228 58.1915 28.8042 178.0747 20 S 4.0276 8.1702 114.9460 61.5101 61.9927 176.2680 21 L 3.9326 7.6670 121.4940 57.3524 41.2030 179.0824 22 L 3.9323 7.6366 120.0924 58.0388 41.8121 179.0760 23 E 3.8522 7.5829 117.7345 59.2907 29.5568 178.9256 24 L 3.8521 7.4515 117.8918 56.8688 41.2881 178.6390 25 A 3.3620 7.2142 118.8994 53.1188 20.3977 178.3534 26 Q 3.7043 7.8569 115.5143 58.8433 28.7611 178.3692 27 R 4.0219 8.4700 118.5235 58.8871 30.5528 176.2063 28 G 2.9442 6.3215 106.1255 45.1653 0.0000 174.9816 29 E 4.0913 7.3417 122.3965 55.7182 27.8394 176.8714 30 W 4.3555 7.9662 123.8809 59.1079 29.5894 177.3991 31 D 4.4997 8.3703 117.6252 58.2480 40.4451 178.4483 32 L 4.1107 8.1706 119.0661 56.5783 41.6056 179.1364 33 L 3.8363 8.0754 119.5870 58.4431 42.2479 179.5773 34 L 4.0829 8.1260 118.0200 57.9141 41.3838 179.4768 35 Q 4.1603 9.0165 119.0738 59.1078 28.8719 178.3051 36 Q 3.9999 7.9994 117.3345 57.3620 28.7775 178.1291 37 E 4.0823 8.0627 119.8665 59.4576 29.9323 178.8302 38 V 3.6353 7.3652 119.1486 66.0874 31.3043 178.1429 39 S 4.1093 8.0357 114.0872 61.6720 63.0111 175.4365 40 Y 4.1553 8.0871 122.1258 60.9957 38.2870 178.5444 41 L 3.6661 8.4326 121.2545 58.3151 42.5121 178.8729 42 Q 3.9315 8.0914 117.7739 58.8569 28.5414 179.5851 43 S 4.0084 8.5593 116.7709 61.5831 62.8161 176.3974 44 I 3.3198 7.1563 120.8815 64.3650 36.8544 177.9601 45 E 4.0724 7.9953 118.2955 59.6706 28.2153 179.3022 46 T 3.9976 7.6240 115.1797 66.3699 68.6326 179.0379 47 V 3.7515 7.2044 120.9958 62.0820 31.1838 176.1631 *49 E 4.1926 7.9240 112.2607 55.4139 31.0472 175.3470 50 K 4.2124 7.3891 118.7217 56.1817 33.1502 175.4947 51 Q 4.4533 8.2013 122.1024 54.0822 29.7154 175.1072 52 T 3.4875 8.3568 123.2301 62.4846 68.8710 172.6035 53 P 4.2996 0.0000 0.0000 62.2546 31.6989 174.6189 54 P 4.3081 0.0000 0.0000 66.0671 31.5623 180.7892 55 G 4.0144 7.7546 108.0615 44.2057 0.0000 173.2278 56 I 3.7576 7.8301 121.3304 60.8128 38.6727 175.5377 57 T 4.6145 8.2024 121.0712 60.1884 70.7459 174.8712 58 R 4.0209 8.4941 124.7896 59.6676 29.7488 178.9501 59 S 4.1123 7.8369 114.0955 61.6602 62.9723 176.4377 60 I 3.8814 7.6705 120.2496 64.4937 37.2825 177.4543 61 Q 4.2658 8.5667 120.7415 59.5765 28.6632 179.5058 62 D 4.4846 8.1728 116.5634 54.9351 40.5692 178.4242 *64 V 4.0007 7.7682 120.8184 62.9469 33.3666 177.1786 65 A 3.8774 8.0223 121.5055 55.1435 18.0075 179.7791 66 G 3.4286 8.0905 104.0694 48.0715 0.0000 175.3740 67 Y 4.1819 7.6379 118.7483 61.0215 37.9416 178.7071 68 I 3.8159 7.7991 120.5893 64.2560 37.1122 178.6611 69 K 3.9144 8.3176 119.6231 59.4756 31.9993 178.7760 70 Q 3.9703 8.6257 120.1524 59.8563 28.7771 178.7670 71 T 3.9742 8.5012 116.5967 67.0345 68.2685 176.4551 72 L 4.0476 8.7611 120.8724 58.1279 41.2203 179.5547 73 D 4.4148 8.6484 119.2746 57.2968 40.7686 178.4474 74 N 4.4335 8.2752 117.0265 55.9788 38.4607 177.0677 75 E 4.2505 8.6269 121.1098 59.0216 29.5097 178.3486 76 Q 4.1429 7.7907 118.9510 58.1098 29.2268 177.8378 77 L 4.0005 7.5465 119.9113 57.7795 41.7408 178.4556 78 L 3.9228 8.4088 120.4896 58.4392 41.9305 178.6710 79 K 4.0674 8.1678 119.3501 59.7754 32.0510 179.0012 80 G 3.5274 7.8570 105.7965 47.9233 0.0000 175.7171 81 L 4.1414 8.1277 122.3966 57.2202 41.5280 179.8688 82 L 3.9928 8.5635 119.3379 57.9353 41.7340 179.3702 83 Q 3.9337 8.1408 119.1488 58.6911 28.9172 177.9959 84 Q 3.9534 7.9077 121.0033 59.0872 29.0476 177.8159 85 R 3.8337 7.9860 119.7109 58.9061 29.9591 178.1937 86 L 3.8351 8.0798 120.8334 58.1345 41.9187 178.3073 87 D 4.3315 7.9257 119.1218 57.3595 40.6004 178.5678 88 E 4.0163 8.0593 118.0312 59.1986 29.7010 179.0708 89 L 4.0848 7.5852 120.3559 57.8436 41.5404 179.3208 90 S 4.1342 8.1158 114.4293 60.8974 62.4924 176.4032 91 S 4.3146 7.7585 115.9726 60.6095 61.8639 176.0777 92 L 3.9341 7.8040 121.6198 57.7464 41.7921 178.7983 93 I 3.9299 7.8249 119.4084 64.3553 36.8169 178.3609 94 G 3.6499 7.3049 105.3509 48.1519 0.0000 175.1330 95 Q 4.1390 7.3453 119.7076 57.7994 29.2857 177.7074 96 S 4.6461 7.4308 113.2092 58.6766 62.6816 174.4499 97 T 4.4205 7.5227 112.8768 63.5639 67.8841 175.5174 98 R 4.2992 7.6454 118.8989 57.1469 30.7988 177.5835 99 Q 3.9727 8.0391 120.4457 58.9331 28.7470 178.1147 100 K 3.9582 7.7100 119.0557 59.2303 32.4413 178.7280 101 S 4.1602 7.9863 114.9184 61.7786 62.7418 176.7396 102 L 4.0427 10.2754 121.1829 57.8170 41.4352 179.0437 103 N 4.5068 8.6489 117.1496 56.4431 38.7174 176.7954 104 N 4.3551 9.1983 119.2708 56.2352 38.6993 177.2924 105 A 4.0092 8.3447 122.4598 54.7934 18.3503 179.0992 106 Y 4.0235 8.5037 118.8919 60.5524 38.8728 177.6295 107 G 3.7997 8.2895 105.3925 48.2891 0.0000 175.1386 108 R 3.9872 8.1894 120.7002 59.0863 29.8793 178.6073 109 L 3.8838 7.3552 119.1205 58.6301 42.1996 179.2784 110 S 4.2384 8.3644 114.2112 59.3173 62.7280 174.6039 111 G 3.9042 7.3638 110.7428 43.6886 0.0000 173.4536 *113 L 4.2734 8.3835 124.8262 54.2197 43.5228 177.5454 114 L 4.3931 7.7247 116.0927 54.2054 42.4010 176.4855 115 V 3.5717 7.7800 112.7545 61.0543 31.7699 174.9763 116 P 4.6572 0.0000 0.0000 62.6874 32.3363 174.7365 117 D 4.6734 8.5385 111.7383 53.6157 43.5073 174.8291 118 A 4.3107 7.9687 126.7443 52.1198 19.2640 175.7068 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 8.03 4.37 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 1.23 0.00 0.00 3 S 8.33 4.15 0.00 3.98 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 4 T 8.67 4.23 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 1.25 0.00 0.00 5 V 7.61 3.78 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 0.98 0.00 0.00 0.96 0.00 0.00 6 E 8.13 3.89 0.00 2.20 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 0.00 2.53 2.48 0.00 7 F 8.22 4.41 0.00 3.28 3.37 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 8 I 7.90 3.56 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.84 0.97 0.00 0.00 9 N 8.78 4.89 0.00 2.85 2.81 0.00 0.00 6.79 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 10 R 7.88 3.78 0.00 2.03 1.71 0.00 3.22 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.01 0.00 11 W 7.73 3.88 0.00 3.25 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 12 Q 7.77 3.11 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 1.43 2.06 0.00 13 R 8.09 3.81 0.00 1.81 2.00 0.00 3.02 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 14 I 7.42 3.73 1.60 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.29 0.99 0.00 0.00 15 A 8.11 4.19 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.92 3.96 0.00 1.93 1.71 0.89 0.61 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 17 L 7.82 3.94 0.00 2.00 1.75 0.99 0.96 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 18 S 8.19 3.44 0.00 4.11 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 0.00 19 Q 7.76 3.97 0.00 2.14 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 20 S 8.17 4.03 0.00 3.83 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 21 L 7.67 3.93 0.00 1.55 1.58 0.76 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.64 3.93 0.00 1.83 1.62 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.58 3.85 0.00 2.28 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 2.27 2.57 0.00 24 L 7.45 3.85 0.00 1.77 1.72 0.90 0.39 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 25 A 7.21 3.36 1.14 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 26 Q 7.86 3.70 0.00 1.94 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 27 R 8.47 4.02 0.00 1.74 1.87 0.00 3.09 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 28 G 6.32 2.94 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 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.34 4.09 0.00 1.92 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 2.25 2.31 0.00 30 W 7.97 4.36 0.00 3.40 3.25 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 0.00 0.00 0.00 0.00 31 D 8.37 4.50 0.00 2.68 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 32 L 8.17 4.11 0.00 1.80 1.60 0.87 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.08 3.84 0.00 1.79 1.93 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.13 4.08 0.00 1.98 1.78 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 9.02 4.16 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 36 Q 8.00 4.00 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 37 E 8.06 4.08 0.00 2.31 2.46 0.00 0.00 0.00 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 2.41 0.00 38 V 7.37 3.64 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 1.03 0.00 0.00 1.04 0.00 0.00 39 S 8.04 4.11 0.00 3.95 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 40 Y 8.09 4.16 0.00 3.04 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 41 L 8.43 3.67 0.00 2.08 1.70 0.96 0.80 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 42 Q 8.09 3.93 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.61 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 43 S 8.56 4.01 0.00 3.89 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 44 I 7.16 3.32 1.73 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.17 0.81 0.00 0.00 45 E 8.00 4.07 0.00 2.12 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 2.31 0.00 46 T 7.62 4.00 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 1.16 0.00 0.00 47 V 7.20 3.75 1.77 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 0.16 0.00 0.00 0.64 0.00 0.00 *49 E 7.92 4.19 0.00 2.15 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 0.00 2.45 2.33 0.00 50 K 7.39 4.21 0.00 1.89 1.85 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.44 7.81 51 Q 8.20 4.45 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 52 T 8.36 3.49 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 0.67 0.00 0.00 53 P 0.00 4.30 0.00 2.12 2.17 0.00 2.79 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 54 P 0.00 4.31 0.00 2.22 2.31 0.00 3.67 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 2.05 1.94 0.00 55 G 7.75 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 0.00 0.00 0.00 56 I 7.83 3.76 1.81 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.94 0.88 0.00 0.00 57 T 8.20 4.61 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 1.28 0.00 0.00 58 R 8.49 4.02 0.00 1.96 1.93 0.00 3.48 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 59 S 7.84 4.11 0.00 3.92 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 60 I 7.67 3.88 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.52 1.10 0.00 0.00 61 Q 8.57 4.27 0.00 2.10 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.07 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 62 D 8.17 4.48 0.00 3.04 2.62 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 *64 V 7.77 4.00 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 0.23 0.00 0.00 0.59 0.00 0.00 65 A 8.02 3.88 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 66 G 8.09 3.43 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 0.00 67 Y 7.64 4.18 0.00 3.32 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 68 I 7.80 3.82 1.76 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.20 0.76 0.00 0.00 69 K 8.32 3.91 0.00 1.93 1.83 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.50 7.81 70 Q 8.63 3.97 0.00 2.35 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 71 T 8.50 3.97 4.63 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 1.49 0.00 0.00 72 L 8.76 4.05 0.00 1.81 1.77 0.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.65 4.41 0.00 2.91 2.73 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 74 N 8.28 4.43 0.00 2.80 2.86 0.00 0.00 6.60 7.62 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 75 E 8.63 4.25 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 76 Q 7.79 4.14 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 77 L 7.55 4.00 0.00 1.93 1.71 0.93 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.41 3.92 0.00 1.79 1.93 1.01 0.66 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 79 K 8.17 4.07 0.00 2.02 1.87 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.53 7.81 80 G 7.86 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 0.00 0.00 0.00 81 L 8.13 4.14 0.00 1.98 1.97 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.56 3.99 0.00 1.86 1.73 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.14 3.93 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 84 Q 7.91 3.95 0.00 2.45 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 85 R 7.99 3.83 0.00 1.56 1.26 0.00 3.09 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 86 L 8.08 3.84 0.00 1.77 1.80 0.85 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.93 4.33 0.00 2.88 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.06 4.02 0.00 2.13 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 0.00 2.42 2.31 0.00 89 L 7.59 4.08 0.00 1.78 1.66 0.83 0.61 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 90 S 8.12 4.13 0.00 4.09 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 91 S 7.76 4.31 0.00 3.95 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 92 L 7.80 3.93 0.00 1.81 1.69 0.96 1.13 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 93 I 7.82 3.93 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 1.55 0.82 0.90 0.00 0.00 94 G 7.30 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.35 4.14 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.46 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 96 S 7.43 4.65 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 97 T 7.52 4.42 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 98 R 7.65 4.30 0.00 1.82 1.96 0.00 3.31 0.00 0.00 3.26 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 99 Q 8.04 3.97 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 100 K 7.71 3.96 0.00 1.95 1.77 0.00 1.59 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.52 7.81 101 S 7.99 4.16 0.00 4.04 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 0.00 102 L 10.28 4.04 0.00 2.01 1.72 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.65 4.51 0.00 2.97 2.82 0.00 0.00 7.28 6.88 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 0.00 104 N 9.20 4.36 0.00 3.01 2.86 0.00 0.00 6.75 7.01 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 0.00 105 A 8.34 4.01 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 0.00 106 Y 8.50 4.02 0.00 3.04 3.12 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 0.00 0.00 0.00 107 G 8.29 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 0.00 0.00 0.00 108 R 8.19 3.99 0.00 1.88 1.96 0.00 3.15 0.00 0.00 3.09 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 109 L 7.36 3.88 0.00 1.67 1.66 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.36 4.24 0.00 3.87 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 0.00 111 G 7.36 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 *113 L 8.38 4.27 0.00 1.67 1.78 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.72 4.39 0.00 1.61 1.69 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.78 3.57 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 0.70 0.00 0.00 0.91 0.00 0.00 116 P 0.00 4.66 0.00 2.17 2.10 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 117 D 8.54 4.67 0.00 2.72 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 0.00 118 A 7.97 4.31 1.22 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.