NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7819 8.3049 120.2786 55.2846 33.6279 174.3114 2 K 4.6651 8.9908 120.4760 53.7361 37.1890 173.4954 3 L 5.0450 9.7990 126.3487 53.5673 44.9186 174.7900 4 I 4.8021 8.7838 128.4702 60.1351 39.2469 175.0339 5 V 4.9259 9.0167 126.9103 61.1890 33.9469 173.9185 6 A 5.3107 9.1579 130.1165 50.1594 22.4408 174.6706 7 I 4.9323 8.7455 122.3089 59.8230 39.6476 175.3655 8 V 4.8019 8.7210 119.7825 59.0125 36.4512 175.5153 9 R 4.3150 8.3913 120.5877 55.5017 30.8509 176.3106 10 P 4.2563 0.0000 0.0000 65.7546 31.1461 178.6688 11 E 4.1261 8.2085 114.3602 58.2659 29.7486 177.9781 12 K 4.4084 8.0537 118.5685 55.9557 32.8813 177.5497 13 L 3.9326 7.6952 122.2443 58.4836 42.0045 178.4048 14 N 4.2911 8.1952 115.5557 56.4770 38.5175 176.8008 15 E 3.9330 8.1205 119.9604 59.1437 29.7348 178.7938 16 V 3.5964 7.9891 118.4838 66.1167 31.5691 177.9378 17 L 4.0124 8.3820 119.0782 57.6729 41.3558 179.4497 18 K 3.9002 8.2398 119.2793 59.4740 32.1636 178.6669 19 A 4.0379 8.1699 120.9911 55.1561 18.2145 179.6301 20 L 3.9815 8.2285 117.6076 57.8640 41.6527 179.3733 21 F 3.9964 8.5419 120.7977 61.5834 39.1026 177.0221 22 Q 4.1722 8.4499 116.2543 58.9819 28.6037 178.1034 23 A 4.3527 7.7391 118.3346 51.9856 18.4392 177.4138 24 E 3.5031 8.0039 116.5491 57.2498 27.3762 174.5170 25 V 3.9241 7.8969 119.7452 61.7128 31.5161 174.9886 26 R 4.2795 8.3612 127.5525 57.5440 31.3171 176.7598 27 G 3.7388 7.8510 107.1152 45.2813 0.0000 172.2879 28 L 4.6738 7.8640 123.1790 55.3760 43.1649 174.2491 29 T 4.9060 8.8416 116.6552 61.7904 72.4126 173.0780 30 L 5.5087 8.4868 124.3123 54.3463 43.9673 175.2998 31 S 4.7768 9.0585 114.1999 57.0456 67.1589 172.5908 32 R 4.9388 8.4896 119.4331 55.3518 31.5705 176.1504 33 V 4.6367 9.0522 115.8941 60.0573 36.7994 173.8312 34 Q 5.1000 8.7151 119.2214 54.5400 31.6385 175.6038 35 G 4.3754 9.5271 109.2178 45.1734 0.0000 170.7705 36 H 5.1092 8.4875 118.2561 53.9740 33.2871 172.4473 *55 L 4.3960 8.1783 121.8327 55.0230 42.7543 176.1490 56 H 5.2008 9.0247 119.0597 53.5719 33.3387 172.7122 57 E 4.6420 8.8301 119.2672 56.7522 30.5175 175.9294 58 K 4.7555 9.4566 120.8597 55.1953 37.7369 174.8168 59 V 4.7741 8.7780 121.3024 61.2023 34.2580 174.0474 60 R 5.0381 9.1255 128.5240 54.6807 32.1544 174.3532 61 L 5.2087 9.0699 126.7438 52.9921 44.8936 175.2628 62 E 5.0949 9.6422 122.6936 54.6742 32.7458 175.0163 63 I 4.6630 9.2655 125.8635 59.3199 40.5670 174.9099 64 G 4.2046 8.7502 115.2668 45.6561 0.0000 172.8926 65 V 4.8094 8.7036 117.9308 59.3382 36.5722 175.6693 66 S 4.6820 8.5851 117.1145 57.6989 64.3917 174.8393 67 E 3.9628 9.0327 120.9458 59.6478 28.9154 178.1404 68 P 4.3441 0.0000 0.0000 64.5116 31.7021 177.5150 69 F 4.4562 8.2206 115.6182 57.2925 39.0909 177.6969 70 V 3.5991 7.6530 119.2613 65.9726 31.3965 177.8520 71 K 3.9012 7.9739 117.4128 59.2096 32.0549 177.2993 72 P 4.2744 0.0000 0.0000 65.9059 31.2272 178.8546 73 T 3.9113 8.0206 114.4070 66.6282 68.3561 176.8911 74 V 3.6036 8.0536 120.4166 66.2370 31.5675 177.9250 75 E 3.9344 8.7110 118.4171 59.2070 29.2571 179.0728 76 A 4.0333 8.0848 120.8766 55.2974 18.3759 179.8689 77 I 3.6596 7.6328 117.6595 64.4226 37.0791 178.3650 78 L 3.9662 8.0933 120.1256 58.0317 41.2926 179.9861 79 K 4.0513 7.8996 116.3241 59.4938 32.1172 179.1145 80 A 4.2967 7.8941 119.4722 54.4224 18.4791 178.7919 81 A 4.2390 8.1978 118.1530 52.5517 19.5670 177.8770 82 R 4.2655 7.0855 116.8177 56.4795 30.6798 176.2048 83 T 4.4625 9.7275 112.6626 60.5847 70.3309 175.1172 84 G 3.9795 8.9077 109.7243 44.9036 0.0000 172.9616 85 E 4.5529 7.7994 119.5033 54.0757 31.2252 175.7016 86 V 3.5076 8.2364 121.7450 64.7226 30.6686 175.9066 87 G 4.1295 9.1019 112.9243 45.5200 0.0000 175.1528 88 D 4.3812 7.5623 119.3053 55.7517 41.0301 175.4964 89 G 4.2720 7.6536 102.7762 44.9180 0.0000 172.1790 90 K 4.6383 8.2596 115.7075 54.8799 37.1943 175.7299 91 I 4.8550 7.8062 121.1261 59.8506 40.1415 174.9562 92 F 4.7905 9.5326 126.6477 55.7825 41.4522 175.2063 93 V 4.5931 8.5277 122.3671 61.3564 33.1572 174.4664 94 L 4.8997 8.8337 128.5172 52.3058 44.3969 174.6799 95 P 4.7628 0.0000 0.0000 62.5695 32.3641 175.8837 96 V 4.3591 8.0998 121.6561 61.5005 33.5245 175.2880 97 E 4.2306 9.1092 127.4457 58.8152 29.9408 177.0520 98 K 4.5960 7.5200 114.5273 54.9117 36.3522 175.2673 99 V 4.6043 7.8703 120.0971 61.4844 34.9923 173.5760 100 Y 5.1151 8.8181 123.8903 56.2698 41.5059 175.1614 101 R 4.4085 9.0324 122.7038 54.9283 31.0449 177.5074 102 I 3.6555 8.6764 125.9883 64.4197 37.5278 177.3479 103 R 4.0312 8.2367 119.2124 59.1695 29.6736 176.8742 104 T 4.2891 7.8698 104.1585 60.6427 69.9536 175.1194 105 G 3.9385 8.3247 110.0659 46.1502 0.0000 173.1195 106 E 4.7732 7.6030 118.9272 53.8617 31.8489 175.3780 107 E 3.9730 8.4560 120.9469 57.3522 30.1266 177.0784 108 D 4.7456 8.9819 123.2676 54.8757 41.3647 173.7615 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 1 M 8.30 4.78 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 2 K 8.99 4.67 0.00 1.65 1.66 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.62 7.81 3 L 9.80 5.04 0.00 1.72 1.53 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.78 4.80 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.63 0.96 0.00 0.00 5 V 9.02 4.93 2.22 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 0.93 0.00 0.00 0.96 0.00 0.00 6 A 9.16 5.31 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 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.75 4.93 1.95 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 1.40 1.41 0.96 0.00 0.00 8 V 8.72 4.80 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 0.78 0.00 0.00 0.95 0.00 0.00 9 R 8.39 4.31 0.00 1.87 2.10 0.00 3.14 0.00 0.00 3.47 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 10 P 0.00 4.26 0.00 2.16 2.12 0.00 3.60 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 2.13 2.17 0.00 11 E 8.21 4.13 0.00 2.11 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 0.00 2.27 2.34 0.00 12 K 8.05 4.41 0.00 1.86 1.86 0.00 1.70 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.37 1.71 7.81 13 L 7.70 3.93 0.00 1.78 1.78 0.94 0.70 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 14 N 8.20 4.29 0.00 2.77 2.85 0.00 0.00 6.66 7.66 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 15 E 8.12 3.93 0.00 2.03 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 0.00 2.39 2.37 0.00 16 V 7.99 3.60 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 1.08 0.00 0.00 1.03 0.00 0.00 17 L 8.38 4.01 0.00 1.83 1.74 0.93 1.05 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 18 K 8.24 3.90 0.00 1.89 1.98 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.43 7.81 19 A 8.17 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 20 L 8.23 3.98 0.00 1.93 1.78 0.96 0.99 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 21 F 8.54 4.00 0.00 3.17 3.21 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 22 Q 8.45 4.17 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.79 2.61 0.00 23 A 7.74 4.35 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 24 E 8.00 3.50 0.00 2.40 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 2.19 2.25 0.00 25 V 7.90 3.92 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 0.72 0.00 0.00 1.07 0.00 0.00 26 R 8.36 4.28 0.00 1.64 1.83 0.00 2.99 0.00 0.00 2.93 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 27 G 7.85 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 28 L 7.86 4.67 0.00 1.60 1.61 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.84 4.91 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 1.22 0.00 0.00 30 L 8.49 5.51 0.00 1.69 1.59 0.93 0.56 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 31 S 9.06 4.78 0.00 3.85 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 32 R 8.49 4.94 0.00 1.72 1.90 0.00 3.32 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 33 V 9.05 4.64 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 0.71 0.00 0.00 1.00 0.00 0.00 34 Q 8.72 5.10 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 35 G 9.53 4.38 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 0.00 36 H 8.49 5.11 0.00 3.07 3.11 0.00 5.77 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *55 L 8.18 4.40 0.00 1.66 1.61 0.94 0.99 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 56 H 9.02 5.20 0.00 2.98 3.11 0.00 5.62 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.83 4.64 0.00 1.99 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 2.30 2.36 0.00 58 K 9.46 4.76 0.00 1.61 1.82 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.56 7.81 59 V 8.78 4.77 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 1.10 0.00 0.00 0.94 0.00 0.00 60 R 9.13 5.04 0.00 1.90 1.77 0.00 3.11 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 61 L 9.07 5.21 0.00 1.66 1.55 0.95 0.59 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 62 E 9.64 5.09 0.00 1.85 1.84 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 2.22 2.26 0.00 63 I 9.27 4.66 1.90 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 1.18 0.89 0.96 0.00 0.00 64 G 8.75 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 0.00 0.00 0.00 0.00 65 V 8.70 4.81 2.18 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 0.75 0.00 0.00 0.99 0.00 0.00 66 S 8.59 4.68 0.00 4.07 4.02 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 67 E 9.03 3.96 0.00 2.02 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 0.00 2.43 2.39 0.00 68 P 0.00 4.34 0.00 2.00 2.03 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 69 F 8.22 4.46 0.00 3.25 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 70 V 7.65 3.60 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 1.15 0.00 0.00 1.06 0.00 0.00 71 K 7.97 3.90 0.00 1.77 1.82 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.47 7.81 72 P 0.00 4.27 0.00 2.14 2.04 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.06 0.00 73 T 8.02 3.91 4.48 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 1.26 0.00 0.00 74 V 8.05 3.60 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 1.11 0.00 0.00 1.02 0.00 0.00 75 E 8.71 3.93 0.00 2.05 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 2.32 2.49 0.00 76 A 8.08 4.03 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 77 I 7.63 3.66 2.01 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 1.55 0.78 0.92 0.00 0.00 78 L 8.09 3.97 0.00 1.81 1.73 0.91 1.19 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 79 K 7.90 4.05 0.00 1.75 1.87 0.00 1.70 0.00 0.00 1.94 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.45 7.81 80 A 7.89 4.30 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 81 A 8.20 4.24 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 82 R 7.09 4.27 0.00 1.92 1.83 0.00 3.20 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 83 T 9.73 4.46 4.23 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 1.24 0.00 0.00 84 G 8.91 3.98 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 0.00 0.00 0.00 85 E 7.80 4.55 0.00 2.09 1.84 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 2.24 2.26 0.00 86 V 8.24 3.51 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 0.76 0.00 0.00 0.92 0.00 0.00 87 G 9.10 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 0.00 0.00 0.00 0.00 88 D 7.56 4.38 0.00 2.80 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 89 G 7.65 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 0.00 0.00 0.00 0.00 90 K 8.26 4.64 0.00 1.51 1.13 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.41 7.81 91 I 7.81 4.85 1.79 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.55 0.92 0.00 0.00 92 F 9.53 4.79 0.00 2.98 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 93 V 8.53 4.59 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 0.85 0.00 0.00 0.96 0.00 0.00 94 L 8.83 4.90 0.00 1.63 1.55 0.90 0.90 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 95 P 0.00 4.76 0.00 1.95 1.99 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 96 V 8.10 4.36 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 0.85 0.00 0.00 1.01 0.00 0.00 97 E 9.11 4.23 0.00 2.02 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 2.32 2.34 0.00 98 K 7.52 4.60 0.00 1.78 1.43 0.00 1.82 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.44 7.81 99 V 7.87 4.60 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 1.02 0.00 0.00 0.92 0.00 0.00 100 Y 8.82 5.12 0.00 2.78 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 0.00 101 R 9.03 4.41 0.00 1.86 1.88 0.00 3.13 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 102 I 8.68 3.66 1.88 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 1.31 0.49 0.91 0.00 0.00 103 R 8.24 4.03 0.00 1.77 1.99 0.00 3.21 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 104 T 7.87 4.29 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 1.22 0.00 0.00 105 G 8.32 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 0.00 106 E 7.60 4.77 0.00 1.98 1.85 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 2.26 2.35 0.00 107 E 8.46 3.97 0.00 1.79 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 1.63 1.47 0.00 108 D 8.98 4.75 0.00 2.74 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.