NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 G 3.9658 8.2085 109.7325 44.0129 0.0000 173.3305 7 A 4.6088 7.5556 121.5460 48.7474 21.7633 170.3084 8 V 3.8541 8.9998 122.8517 63.1892 33.5129 173.8520 9 I 4.2902 8.9911 129.1747 59.6963 38.5438 175.0505 10 A 4.5889 8.5076 130.5208 51.3561 18.8290 176.7726 11 C 4.5319 8.5320 121.4658 60.3076 27.9849 174.0426 12 H 4.9134 9.4218 121.8999 56.3133 29.3985 176.1064 13 T 4.7911 7.4259 109.5178 58.6968 73.1533 174.4212 14 K 3.9827 8.5725 122.5538 59.8369 32.1998 178.6226 15 Q 4.0231 8.1951 119.3107 59.2182 28.9157 177.8858 16 E 3.9307 8.2615 120.1495 59.2474 29.6433 178.2859 17 F 4.1455 8.2653 120.5956 61.7340 39.3761 176.7693 18 D 4.2662 8.7844 118.5907 57.6157 40.6296 179.0075 19 T 3.8027 8.2013 116.4479 67.1285 68.4245 176.5001 20 H 4.1836 8.1128 117.9702 58.8884 28.5622 177.8822 21 M 3.8443 8.0751 120.7845 58.1838 31.7319 178.5672 22 A 3.9324 8.2350 121.3494 55.1231 18.4479 179.2259 23 N 4.3334 8.2936 115.6935 56.5713 39.0944 177.1014 24 G 3.6993 8.3239 107.6179 47.8681 0.0000 175.3990 25 K 3.9432 7.9752 121.2303 59.2588 32.3113 178.2663 26 D 4.4980 8.3639 118.5575 57.3936 40.8316 178.3779 27 T 4.1967 8.1500 108.9849 62.0407 69.2342 176.0656 28 G 3.9448 7.7887 108.3323 45.3234 0.0000 174.0251 29 K 4.1480 7.5581 118.4232 55.6539 32.8185 176.6372 30 L 4.2272 8.4005 124.0129 55.4163 43.4484 175.5486 31 V 4.7365 8.8874 126.2187 61.1101 34.1978 174.0516 32 I 4.6039 8.4053 128.5990 59.4371 40.0604 174.3520 33 I 4.6626 8.5388 128.4290 59.5164 39.5545 174.2707 34 D 3.8243 8.6017 128.2659 52.5798 42.0276 175.3699 35 F 4.6072 8.6046 127.2601 56.9435 40.0152 175.1162 36 T 4.9478 8.8312 117.9676 60.4185 71.9174 172.0324 37 A 5.1107 8.1553 123.8400 50.2778 22.0792 177.6493 38 S 3.8887 8.2545 115.3288 61.0848 62.9954 175.9861 39 W 4.2832 7.7083 118.5822 57.9787 29.3563 175.8067 40 C 4.6591 7.9442 119.5124 57.5630 31.8804 173.6452 41 G 3.7165 8.7246 115.5118 47.8544 0.0000 172.4264 42 P 4.3284 0.0000 0.0000 65.3419 31.2714 178.4422 43 C 4.1638 8.0878 114.8663 62.9681 27.8647 176.2426 44 R 3.9438 7.7332 118.6443 59.0555 29.6763 178.9908 45 V 3.7280 7.6412 117.2763 66.0881 31.8448 177.7027 46 I 3.9127 7.9355 117.5206 62.9734 37.8360 177.3776 47 A 4.1003 7.7986 122.1975 55.0069 18.1489 177.8881 48 P 4.2531 0.0000 0.0000 65.8086 31.2289 178.7791 49 V 3.2896 7.6597 117.8677 65.5772 31.4925 177.4224 50 F 4.2480 8.4547 120.4654 61.4284 39.3516 176.9674 51 A 3.8258 8.1581 120.2595 54.9183 18.1469 179.0462 52 E 3.8004 8.2384 118.0046 59.8882 29.7240 178.8274 53 Y 4.4899 8.1334 116.7169 61.0183 37.7655 178.3409 54 A 2.0000 7.3048 121.7339 54.2356 18.0733 179.6349 55 K 4.1923 7.2883 118.0578 59.0363 32.3725 178.8194 56 K 3.8872 7.7612 118.7394 57.7556 33.6189 176.8411 57 F 5.0109 7.7980 117.4214 55.1673 38.8796 174.0353 58 P 4.4967 0.0000 0.0000 64.8303 31.8331 178.4252 59 G 3.8117 8.2145 106.3136 46.3236 0.0000 172.8430 60 A 4.9700 8.0199 121.1059 50.1184 22.3198 175.7549 61 I 4.4108 8.5919 120.6466 59.8586 39.4542 174.9977 62 F 5.0041 9.0115 126.1596 55.9171 40.9080 174.4587 63 L 5.2721 9.1718 124.8162 52.7097 44.7032 175.5276 64 K 4.7548 9.1208 124.5680 54.5184 34.9202 174.7127 65 V 4.2393 8.3358 127.7390 60.8763 34.0206 173.8317 66 D 4.9199 8.4912 128.8635 53.7967 41.8724 177.2729 67 V 3.6944 9.0380 120.8259 64.0867 32.0234 178.4313 68 D 4.5649 8.4963 120.0605 56.5417 41.3119 177.6058 69 E 4.1043 8.5497 118.9896 58.4583 30.1967 176.9160 70 L 4.6805 7.8880 120.2177 52.8158 41.0916 177.0464 71 K 4.2369 8.2236 123.3612 58.3461 32.5289 178.3973 72 D 4.4710 8.0121 119.3326 56.5833 39.5401 178.6395 73 V 3.5880 7.7548 119.6260 65.2945 31.4883 177.4617 74 A 4.1186 8.2485 120.6348 55.3707 18.0037 179.2829 75 E 3.8811 8.2903 115.8080 59.5756 29.6238 179.2220 76 A 4.0145 7.6522 119.0994 55.4271 18.5438 178.8629 77 Y 3.9628 7.7992 113.0233 58.1332 39.3895 175.4579 78 N 4.0223 8.3747 117.4477 54.3561 37.7764 174.1585 79 V 3.6481 7.0480 110.7428 61.9165 32.6367 176.8147 80 E 4.3612 8.4472 120.0496 56.4816 29.9616 175.7688 81 A 4.5556 7.2135 120.0733 51.4425 22.4064 175.5220 82 M 4.6056 8.4012 119.5440 52.8433 34.1271 174.6475 83 P 4.7946 0.0000 0.0000 62.6062 33.9253 174.9029 84 T 5.1535 8.1915 115.5366 61.8342 72.8926 173.1085 85 F 5.0857 9.5996 124.2502 55.7384 41.6466 174.4546 86 L 5.3332 8.7628 123.6907 53.0598 44.7438 175.4065 87 F 5.1513 9.3236 121.3009 55.8348 41.6351 174.4953 88 I 5.1194 9.0183 124.9666 59.3679 40.5232 174.7115 89 K 4.7090 8.9617 127.1453 55.5349 35.6938 175.7554 90 D 4.1531 9.9047 126.1980 55.5445 38.4729 175.3142 91 G 4.0752 8.5265 104.6742 45.5080 0.0000 173.6273 92 E 4.7076 7.8028 119.5600 53.8045 32.1129 175.3210 93 K 4.6004 8.7481 124.5234 56.7380 32.6631 176.5803 94 V 4.4458 8.6378 119.0531 61.7254 34.0845 174.6208 95 D 4.7356 8.0404 118.6034 53.9710 44.6200 173.6196 96 S 5.5202 8.3751 114.1010 57.4041 66.1155 173.7636 97 V 4.5539 9.3582 120.9762 61.2915 34.5474 174.1972 98 V 4.3781 8.7726 127.9774 62.8120 32.5433 176.6025 99 G 4.0327 9.3667 114.4886 45.4649 0.0000 173.8418 100 G 3.9515 8.1944 108.0620 44.6145 0.0000 177.0896 101 R 4.2764 7.4284 118.3710 54.7324 30.1295 177.0623 102 K 3.9934 8.4579 123.7422 59.5147 32.2572 178.1872 103 D 4.3748 8.1257 117.4488 57.5825 41.2433 177.8900 104 D 4.3315 8.0696 118.8262 57.2928 40.8844 178.6100 105 I 3.9121 7.9994 120.3905 64.7254 37.1852 177.8902 106 H 3.7044 8.3964 118.8995 59.5095 29.6077 177.2894 107 T 3.8258 8.0861 117.5642 66.7246 68.2423 176.7987 108 K 3.7113 8.0039 120.2394 59.1186 31.8971 179.4535 109 I 3.5752 7.7170 120.1858 64.2967 36.7694 178.4912 110 V 3.4006 7.1070 117.1146 65.9967 31.7802 177.5598 111 A 4.0678 8.0225 120.4961 55.0263 18.0258 179.2244 112 L 4.2358 7.7885 115.5577 56.8925 42.0328 178.8689 113 M 4.2412 8.0049 118.1399 55.8641 31.9255 177.4158 114 G 3.7186 7.3969 106.8325 46.9706 0.0000 174.5262 *115 S 4.2519 7.9718 120.8629 58.1130 63.0078 177.8943 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 6 G 8.21 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 7 A 7.56 4.61 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.00 3.85 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 1.03 0.00 0.00 0.81 0.00 0.00 9 I 8.99 4.29 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.58 0.76 0.00 0.00 10 A 8.51 4.59 1.16 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 0.00 0.00 0.00 0.00 0.00 11 C 8.53 4.53 0.00 2.95 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 12 H 9.42 4.91 0.00 3.16 3.42 0.00 5.60 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.43 4.79 4.28 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 1.25 0.00 0.00 14 K 8.57 3.98 0.00 2.00 1.91 0.00 2.01 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.79 1.61 7.81 15 Q 8.20 4.02 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 16 E 8.26 3.93 0.00 2.15 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 2.43 2.42 0.00 17 F 8.27 4.15 0.00 3.17 3.32 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 18 D 8.78 4.27 0.00 2.87 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 19 T 8.20 3.80 4.30 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 1.10 0.00 0.00 20 H 8.11 4.18 0.00 3.10 3.26 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 M 8.08 3.84 0.00 1.81 1.88 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.67 0.00 22 A 8.23 3.93 1.35 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 0.00 0.00 23 N 8.29 4.33 0.00 2.82 2.96 0.00 0.00 7.08 7.18 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 24 G 8.32 3.70 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 0.00 0.00 0.00 25 K 7.98 3.94 0.00 1.74 1.97 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 26 D 8.36 4.50 0.00 2.76 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 27 T 8.15 4.20 4.25 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 1.28 0.00 0.00 28 G 7.79 3.94 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 K 7.56 4.15 0.00 1.79 1.76 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.58 1.39 7.81 30 L 8.40 4.23 0.00 1.76 1.49 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.89 4.74 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 0.81 0.00 0.00 0.88 0.00 0.00 32 I 8.41 4.60 1.42 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.18 0.34 0.00 0.00 33 I 8.54 4.66 1.64 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 1.07 0.93 -0.07 0.00 0.00 34 D 8.60 3.82 0.00 1.58 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 0.00 0.00 0.00 35 F 8.60 4.61 0.00 2.95 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 36 T 8.83 4.95 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 37 A 8.16 5.11 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 38 S 8.25 3.89 0.00 3.51 3.70 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 39 W 7.71 4.28 0.00 3.34 3.30 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 40 C 7.94 4.66 0.00 3.09 3.05 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 41 G 8.72 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 0.00 0.00 0.00 42 P 0.00 4.33 0.00 2.21 2.17 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 43 C 8.09 4.16 0.00 3.16 2.95 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 44 R 7.73 3.94 0.00 1.99 1.99 0.00 3.12 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 45 V 7.64 3.73 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 0.81 0.00 0.00 0.99 0.00 0.00 46 I 7.94 3.91 1.97 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 1.52 1.40 1.23 0.00 0.00 47 A 7.80 4.10 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 48 P 0.00 4.25 0.00 2.25 2.31 0.00 3.87 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 49 V 7.66 3.29 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 0.47 0.00 0.00 0.85 0.00 0.00 50 F 8.45 4.25 0.00 3.19 3.32 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 51 A 8.16 3.83 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 52 E 8.24 3.80 0.00 2.07 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 2.38 2.35 0.00 53 Y 8.13 4.49 0.00 3.15 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.30 2.00 0.66 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 55 K 7.29 4.19 0.00 1.68 1.93 0.00 1.59 0.00 0.00 1.42 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.22 7.81 56 K 7.76 3.89 0.00 1.63 1.59 0.00 1.69 0.00 0.00 1.39 0.00 0.00 2.67 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 1.07 7.81 57 F 7.80 5.01 0.00 3.55 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 58 P 0.00 4.50 0.00 2.19 2.17 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 59 G 8.21 3.81 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 0.00 0.00 0.00 60 A 8.02 4.97 1.23 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 0.00 0.00 61 I 8.59 4.41 1.83 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 1.26 0.80 0.90 0.00 0.00 62 F 9.01 5.00 0.00 2.75 2.47 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 63 L 9.17 5.27 0.00 1.57 1.59 0.77 0.42 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 64 K 9.12 4.75 0.00 1.92 1.64 0.00 1.56 0.00 0.00 1.53 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.21 1.20 7.81 65 V 8.34 4.24 1.24 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 0.68 0.00 0.00 0.47 0.00 0.00 66 D 8.49 4.92 0.00 2.72 2.51 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 0.00 0.00 0.00 0.00 67 V 9.04 3.69 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 0.86 0.00 0.00 1.05 0.00 0.00 68 D 8.50 4.56 0.00 2.94 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 69 E 8.55 4.10 0.00 1.94 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 0.00 2.31 2.35 0.00 70 L 7.89 4.68 0.00 1.60 1.47 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.22 4.24 0.00 1.81 1.87 0.00 1.96 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.54 7.81 72 D 8.01 4.47 0.00 2.96 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 73 V 7.75 3.59 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 0.42 0.00 0.00 0.69 0.00 0.00 74 A 8.25 4.12 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 75 E 8.29 3.88 0.00 2.13 2.02 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 2.34 2.55 0.00 76 A 7.65 4.01 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 77 Y 7.80 3.96 0.00 2.72 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 78 N 8.37 4.02 0.00 2.83 2.72 0.00 0.00 7.24 7.30 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 79 V 7.05 3.65 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 -0.12 0.00 0.00 0.83 0.00 0.00 80 E 8.45 4.36 0.00 1.93 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 2.23 2.26 0.00 81 A 7.21 4.56 1.15 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 0.00 0.00 82 M 8.40 4.61 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 83 P 0.00 4.79 0.00 1.87 2.11 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 84 T 8.19 5.15 4.13 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 1.24 0.00 0.00 85 F 9.60 5.09 0.00 3.04 2.82 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 86 L 8.76 5.33 0.00 1.71 1.67 0.87 0.71 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 87 F 9.32 5.15 0.00 3.11 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 88 I 9.02 5.12 1.89 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.17 1.03 0.00 0.00 89 K 8.96 4.71 0.00 1.81 1.60 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.42 7.81 90 D 9.90 4.15 0.00 2.91 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 91 G 8.53 4.08 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 0.00 0.00 0.00 92 E 7.80 4.71 0.00 2.13 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 2.44 2.36 0.00 93 K 8.75 4.60 0.00 1.87 1.82 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.60 7.81 94 V 8.64 4.45 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 1.07 0.00 0.00 95 D 8.04 4.74 0.00 2.54 2.14 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 96 S 8.38 5.52 0.00 4.01 3.91 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 97 V 9.36 4.55 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 1.11 0.00 0.00 1.12 0.00 0.00 98 V 8.77 4.38 2.14 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 0.87 0.00 0.00 0.97 0.00 0.00 99 G 9.37 4.03 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 0.00 0.00 0.00 100 G 8.19 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 0.00 101 R 7.43 4.28 0.00 1.91 1.94 0.00 3.27 0.00 0.00 3.40 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 102 K 8.46 3.99 0.00 1.87 2.03 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.54 7.81 103 D 8.13 4.37 0.00 2.78 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 0.00 104 D 8.07 4.33 0.00 2.76 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 0.00 105 I 8.00 3.91 2.17 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.71 1.13 0.00 0.00 106 H 8.40 3.70 0.00 3.04 3.36 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.09 3.83 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 1.16 0.00 0.00 108 K 8.00 3.71 0.00 1.42 0.76 0.00 1.24 0.00 0.00 1.14 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.11 1.34 7.81 109 I 7.72 3.58 1.35 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 1.34 1.14 -0.06 0.00 0.00 110 V 7.11 3.40 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 0.90 0.00 0.00 111 A 8.02 4.07 1.23 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 0.00 0.00 112 L 7.79 4.24 0.00 1.66 1.72 0.72 0.80 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 0.00 113 M 8.00 4.24 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 114 G 7.40 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 0.00 0.00 0.00 *115 S 7.97 4.25 0.00 3.61 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 * Residues marked with a * may have inaccurate shift predictions.