NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 P 4.4427 0.0000 0.0000 62.7365 32.5265 175.3623 21 S 4.1449 8.1959 115.8382 55.4534 66.3128 171.5391 22 C 4.4075 8.7486 122.2577 58.8791 32.5355 175.7581 23 K 3.8106 8.2816 129.0801 59.0474 31.8498 177.8094 24 S 4.4436 7.9431 113.0433 60.3920 62.6749 174.3683 25 C 4.3110 8.0303 113.4775 57.8437 30.3090 175.2722 26 G 3.6742 8.1598 108.2644 45.4077 0.0000 173.7301 27 A 4.0953 7.1517 122.5762 52.2328 18.9765 176.7487 28 H 4.4487 8.1879 117.0911 54.4760 29.3562 174.5542 29 F 4.9399 8.0478 117.7169 55.5866 40.9844 177.1783 30 A 4.2246 8.7959 127.5402 54.6604 18.6890 177.0031 31 N 4.8160 7.9658 113.9408 52.0620 40.6704 174.7870 32 T 4.0961 8.7567 117.3084 64.4214 68.7782 175.9765 33 A 4.0594 8.0698 123.8759 54.0744 18.4445 178.0463 34 R 4.3434 7.9998 113.9974 55.6951 30.6519 176.9174 35 K 3.3047 7.0752 117.9472 56.8244 33.3459 176.3429 36 Q 4.5660 8.7663 121.7104 54.8332 30.7818 174.5702 37 T 4.9549 8.3858 121.0685 62.1553 70.2414 174.1070 38 C 4.4612 9.1883 128.0616 59.0128 32.0385 174.4132 39 L 4.0287 8.7464 128.7137 57.8595 42.0421 177.8211 40 D 4.6142 8.1037 117.8598 56.7348 41.1326 177.2494 41 C 3.9545 7.9005 112.2109 57.9726 30.4475 174.8694 42 K 4.2763 8.1056 118.2782 56.9967 29.8584 175.6194 43 K 4.4129 7.4652 119.1635 55.6551 34.2982 175.2415 44 N 5.3117 8.1253 118.2528 52.4576 40.6081 174.5237 45 F 5.3347 9.4497 120.2939 55.9664 44.4616 174.1335 46 C 5.0623 8.9619 117.6667 59.7929 28.4557 174.9179 47 M 4.1421 8.7415 121.1451 58.8623 31.9700 177.7504 48 T 4.3261 7.9446 105.8870 62.6655 69.2612 174.4256 49 C 4.8743 8.2545 120.2650 59.3309 28.8230 173.1357 50 S 4.4997 7.6780 113.1390 57.4476 65.5841 172.2830 51 S 4.5364 8.9523 114.6588 57.4143 67.4264 177.1736 52 Q 3.3057 9.0650 125.0428 56.7055 28.3352 173.5736 *57 P 4.1755 0.0000 0.0000 62.5497 32.5663 175.2808 58 R 4.1600 7.7278 123.9197 57.0342 31.5061 175.0831 59 L 5.2749 8.3665 125.6718 52.7253 46.3201 176.1329 60 C 4.2496 8.2089 116.1539 57.4949 30.9031 174.5101 61 L 3.9610 8.0091 119.3785 57.7431 40.9848 179.8703 62 L 4.0952 7.7450 119.8509 58.4804 42.2787 178.6369 63 C 4.5436 8.1030 116.1983 62.7629 28.1978 175.7823 64 Q 3.9672 8.2611 121.4538 59.1406 28.4516 178.1379 65 R 3.8420 7.7346 118.6588 59.5370 30.4915 178.2439 66 F 3.6059 8.5538 117.6621 60.1944 38.8007 177.9878 67 R 3.8142 8.1241 117.6664 59.0080 29.6054 178.8626 68 A 4.0280 7.6023 119.5243 54.7758 18.6213 179.1019 69 T 3.8234 7.5140 107.1747 62.0222 68.7250 175.6034 70 A 3.5287 7.8297 122.9235 52.3976 16.7617 176.9115 71 F 3.7005 7.4027 113.9864 59.6475 37.3406 176.1983 72 Q 4.3296 7.8988 119.8846 54.9354 29.7816 176.0090 73 R 3.9432 8.8101 122.8325 59.9476 28.9598 178.6058 74 E 3.9295 8.0673 117.3921 59.0478 29.7140 178.7772 75 E 4.0505 8.0192 118.1375 59.2543 29.6380 179.1618 76 L 3.8045 8.0070 119.1808 57.8476 41.4486 179.1840 77 M 4.1282 8.0646 117.2300 57.9338 32.2354 177.5768 78 K 4.1945 7.4146 116.2809 56.6881 32.8274 177.1080 79 M 4.2233 7.0062 119.3000 54.4546 32.8279 176.9816 80 K 4.1614 8.2990 120.8979 56.1475 34.1116 178.4401 81 V 3.6169 8.4750 122.5047 66.3303 31.3879 178.3844 82 K 3.9694 8.0636 118.6249 59.6453 31.9909 178.3880 83 D 4.5558 8.1124 118.8156 57.2096 40.8569 178.5640 84 L 4.3336 8.1417 119.6706 57.8246 41.6440 179.5018 85 R 3.9287 8.3685 118.8798 59.6815 30.0748 178.3195 86 D 4.3851 8.6140 119.1451 57.3959 40.6523 178.1629 87 Y 3.9270 8.2902 120.2176 60.7349 38.6780 178.1821 88 L 3.8947 8.0251 119.8783 57.8271 41.6293 179.7012 89 S 4.0983 8.2868 115.2470 61.6194 62.5501 176.7443 90 L 3.9961 7.8721 120.6094 57.4570 41.2965 178.2050 91 H 4.4900 7.3364 114.1571 54.5002 29.0877 174.6413 92 D 4.3905 8.0110 119.2090 55.7387 38.7020 173.7589 93 I 4.4804 7.7863 119.0484 59.2728 39.4826 176.1947 94 S 4.4986 8.5663 120.3172 58.2331 63.7336 173.9005 95 T 4.6877 8.2252 112.2665 61.3791 69.1091 175.7400 96 E 4.0023 8.3653 122.1590 59.6813 29.9003 177.1291 97 M 4.4125 7.9068 116.8215 55.1158 32.4345 175.2190 98 C 5.0627 7.4861 116.9034 58.4098 29.1689 173.7150 99 R 4.5439 9.3677 122.6087 56.0091 32.1940 176.1066 100 E 4.7948 7.9640 116.0977 53.5380 33.0636 176.5059 101 K 3.8947 8.7362 122.2669 59.9171 32.0600 178.6812 102 E 3.9938 8.2508 118.9069 59.3303 29.5260 178.5352 103 E 3.9997 8.2373 118.7576 59.2279 29.4850 179.2919 104 L 4.0536 7.8571 119.0564 57.7796 41.6403 179.6367 105 V 3.7084 7.8203 117.7219 66.0682 31.4396 177.8797 106 L 4.0298 8.2277 118.8337 57.8183 41.4960 179.5494 107 L 4.0253 7.9036 118.8715 57.5866 41.3069 179.6981 108 V 3.8018 7.8153 117.4820 66.1239 31.8123 177.7668 109 L 4.3290 8.4146 119.1046 57.7906 41.2172 179.7445 110 G 3.6760 8.1481 105.2674 47.3936 0.0000 174.7930 111 Q 4.3360 7.6310 116.3538 54.9741 29.3483 175.8326 112 Q 3.5010 7.1500 122.9965 55.3805 29.4540 174.3345 113 P 4.4026 0.0000 0.0000 62.9598 32.1732 176.6567 114 V 3.9819 7.9478 112.7706 61.8151 32.5962 175.2324 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 20 P 0.00 4.44 0.00 2.36 2.18 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 21 S 8.20 4.14 0.00 4.03 3.47 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 22 C 8.75 4.41 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 23 K 8.28 3.81 0.00 1.23 0.74 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.37 7.81 24 S 7.94 4.44 0.00 4.26 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 0.00 25 C 8.03 4.31 0.00 3.14 3.18 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 0.00 0.00 0.00 0.00 26 G 8.16 3.67 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 0.00 0.00 0.00 27 A 7.15 4.10 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.19 4.45 0.00 3.00 3.21 0.00 5.85 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 29 F 8.05 4.94 0.00 3.08 3.01 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 30 A 8.80 4.22 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 31 N 7.97 4.82 0.00 2.77 2.68 0.00 0.00 6.80 7.10 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 32 T 8.76 4.10 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 1.32 0.00 0.00 33 A 8.07 4.06 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 34 R 8.00 4.34 0.00 1.89 1.95 0.00 3.20 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 35 K 7.08 3.30 0.00 0.79 0.74 0.00 1.37 0.00 0.00 1.45 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.15 7.81 36 Q 8.77 4.57 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 37 T 8.39 4.95 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 38 C 9.19 4.46 0.00 3.04 3.01 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 39 L 8.75 4.03 0.00 1.66 1.72 0.94 1.09 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 40 D 8.10 4.61 0.00 2.79 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 41 C 7.90 3.95 0.00 3.08 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 42 K 8.11 4.28 0.00 1.94 1.98 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.39 7.81 43 K 7.47 4.41 0.00 1.42 1.42 0.00 1.59 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.53 1.51 7.81 44 N 8.13 5.31 0.00 2.60 2.67 0.00 0.00 6.55 8.13 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 45 F 9.45 5.33 0.00 2.97 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 46 C 8.96 5.06 0.00 3.21 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 47 M 8.74 4.14 0.00 2.15 2.12 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 2.70 2.62 0.00 48 T 7.94 4.33 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 1.24 0.00 0.00 49 C 8.25 4.87 0.00 3.40 3.10 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 0.00 0.00 0.00 50 S 7.68 4.50 0.00 4.04 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 51 S 8.95 4.54 0.00 3.93 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 52 Q 9.07 3.31 0.00 2.18 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.13 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 *57 P 0.00 4.18 0.00 2.26 2.14 0.00 3.82 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 1.89 1.97 0.00 58 R 7.73 4.16 0.00 1.97 1.86 0.00 3.18 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 59 L 8.37 5.27 0.00 1.57 1.47 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.21 4.25 0.00 1.57 1.18 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 0.00 0.00 0.00 0.00 61 L 8.01 3.96 0.00 1.69 1.76 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.74 4.10 0.00 1.85 1.78 1.17 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.10 4.54 0.00 3.05 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 64 Q 8.26 3.97 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 65 R 7.73 3.84 0.00 1.97 2.21 0.00 3.28 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.55 0.00 66 F 8.55 3.61 0.00 2.71 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 0.00 0.00 0.00 0.00 67 R 8.12 3.81 0.00 2.05 2.01 0.00 3.20 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.96 0.00 68 A 7.60 4.03 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 69 T 7.51 3.82 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 0.78 0.00 0.00 70 A 7.83 3.53 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 71 F 7.40 3.70 0.00 3.34 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 72 Q 7.90 4.33 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 73 R 8.81 3.94 0.00 2.04 2.25 0.00 2.98 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 74 E 8.07 3.93 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 2.31 2.40 0.00 75 E 8.02 4.05 0.00 1.99 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 2.34 2.26 0.00 76 L 8.01 3.80 0.00 1.83 1.70 1.05 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 77 M 8.06 4.13 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 78 K 7.41 4.19 0.00 1.81 1.78 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.67 7.81 79 M 7.01 4.22 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.63 0.00 80 K 8.30 4.16 0.00 1.82 1.74 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.47 7.81 81 V 8.47 3.62 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 1.15 0.00 0.00 0.95 0.00 0.00 82 K 8.06 3.97 0.00 1.89 1.83 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.70 1.57 7.81 83 D 8.11 4.56 0.00 2.98 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 84 L 8.14 4.33 0.00 1.99 1.86 1.02 1.06 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 85 R 8.37 3.93 0.00 2.05 2.11 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 86 D 8.61 4.39 0.00 2.84 2.78 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 87 Y 8.29 3.93 0.00 2.50 2.68 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 0.00 0.00 0.00 88 L 8.03 3.89 0.00 1.92 1.71 1.05 0.96 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 89 S 8.29 4.10 0.00 4.03 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 90 L 7.87 4.00 0.00 1.63 1.64 1.03 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 91 H 7.34 4.49 0.00 2.95 3.17 0.00 5.81 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.01 4.39 0.00 2.79 2.72 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 93 I 7.79 4.48 1.98 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 1.34 0.77 0.92 0.00 0.00 94 S 8.57 4.50 0.00 3.98 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 95 T 8.23 4.69 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 1.24 0.00 0.00 96 E 8.37 4.00 0.00 2.10 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 2.28 2.33 0.00 97 M 7.91 4.41 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 98 C 7.49 5.06 0.00 3.09 2.88 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 0.00 0.00 0.00 99 R 9.37 4.54 0.00 1.85 1.95 0.00 3.27 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 100 E 7.96 4.79 0.00 1.99 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 2.28 2.25 0.00 101 K 8.74 3.89 0.00 1.83 1.83 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.54 7.81 102 E 8.25 3.99 0.00 2.08 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 2.40 2.43 0.00 103 E 8.24 4.00 0.00 2.24 2.01 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 2.35 2.37 0.00 104 L 7.86 4.05 0.00 1.93 1.79 0.97 0.84 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 0.00 105 V 7.82 3.71 2.27 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 1.19 0.00 0.00 0.97 0.00 0.00 106 L 8.23 4.03 0.00 1.94 1.73 0.94 0.53 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 0.00 107 L 7.90 4.03 0.00 1.96 1.76 0.95 0.77 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 0.00 108 V 7.82 3.80 2.44 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 1.19 0.00 0.00 1.20 0.00 0.00 109 L 8.41 4.33 0.00 1.94 1.74 0.97 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.15 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 7.63 4.34 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.76 0.00 112 Q 7.15 3.50 0.00 1.36 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.89 0.00 0.00 0.00 0.00 0.00 1.86 1.16 0.00 113 P 0.00 4.40 0.00 2.19 2.01 0.00 3.29 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 114 V 7.95 3.98 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 0.65 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.