NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4913 8.3049 118.7932 53.8857 33.1438 175.1095 2 I 3.7752 8.2764 124.1514 59.1742 37.6534 174.5579 3 S 4.4961 8.8076 118.7357 57.8285 65.1137 173.6307 4 G 3.9363 7.2732 108.6643 45.0135 0.0000 171.5573 5 L 4.1119 8.2505 121.6072 55.0245 42.6789 176.2957 6 S 4.3733 8.7488 121.3060 60.2071 62.8364 173.0180 7 H 5.0471 7.3761 111.3033 55.2889 30.9390 172.4032 8 I 4.6626 8.5533 119.4860 59.8266 40.0772 175.0015 9 T 5.1704 8.5675 121.7428 61.7716 71.3511 173.4126 10 L 4.8484 8.9886 125.1250 52.9843 45.6358 175.3598 11 I 4.8990 8.4070 123.1649 60.1540 38.7165 175.3376 12 V 4.7022 8.6695 121.5876 60.1951 35.8960 177.9383 13 K 3.8802 9.6175 123.7286 57.0064 31.9472 177.1640 14 D 4.8616 7.7819 121.0058 51.7368 43.3814 176.0517 15 L 4.1471 8.4955 128.2589 57.7305 41.7297 179.2438 16 N 4.4337 8.2653 116.2915 56.2784 38.6363 177.4483 17 K 4.0038 8.3222 119.9522 59.7602 32.0319 179.6616 18 T 4.1958 8.2273 116.1248 66.7099 68.3542 176.7638 19 T 3.8765 8.4965 118.0863 66.7706 68.6008 176.0447 20 A 4.0490 8.2230 122.3502 55.2868 18.4127 179.3246 21 F 4.0969 8.5349 118.8922 61.7176 39.5015 177.4299 22 L 3.9861 8.4924 118.9113 57.5940 41.2841 179.6528 23 Q 4.0221 8.6361 118.3733 59.0542 28.6014 178.2258 24 N 4.2451 8.4057 116.3733 56.2573 38.6318 177.0238 25 I 3.6443 7.2921 119.6417 62.4323 37.5002 176.7310 26 F 4.4469 7.5464 114.2803 56.0725 39.8485 174.4107 27 N 4.1781 8.0157 117.8726 53.7299 37.7899 173.9257 28 A 4.1958 7.7246 117.0420 52.3755 19.4099 177.7832 29 E 4.5106 9.1326 123.4493 54.4284 31.1863 174.6614 30 E 3.9423 8.9486 129.3148 56.0635 30.3760 175.6036 31 I 4.3117 9.9138 131.2268 59.8756 38.4864 176.4647 *32 Y 4.2391 8.3660 123.8429 56.3014 40.6717 166.8903 *38 T 4.1562 7.9126 113.9544 65.2499 69.6227 175.7072 39 F 4.3527 8.7209 127.5539 57.9451 38.1685 176.6243 40 S 4.5062 7.9345 116.0181 58.0960 62.8213 176.6285 41 L 4.4157 8.3707 119.3395 56.6922 42.4891 177.8144 42 S 4.8087 7.5825 115.0723 56.9885 61.0828 173.7885 43 K 4.4668 7.7975 122.2968 56.6091 33.9711 176.6227 44 E 5.2118 8.3652 118.3258 55.7567 32.8440 174.2495 45 K 4.7005 9.0429 118.3369 55.1466 37.1130 175.3453 46 F 5.4241 8.7860 121.3767 56.0415 42.0118 174.6180 47 F 5.4276 9.4993 119.5884 55.8978 43.9011 173.4284 48 L 5.0541 8.9546 120.5184 53.0730 44.4515 175.8159 49 I 4.4808 8.3947 123.5694 59.1133 40.1122 175.7423 50 A 3.7341 9.7019 132.7958 53.1493 15.9048 177.5573 51 G 3.8726 8.3086 107.7829 45.5820 0.0000 173.0852 52 L 4.6587 7.7922 122.6206 52.8599 43.7655 174.8759 53 W 5.1682 9.0070 126.2771 56.3086 30.5606 174.8001 54 I 5.0978 9.3535 126.4098 59.3701 40.1209 173.4614 55 C 4.6008 9.2143 130.7092 57.5123 33.4603 171.9705 56 I 4.9742 8.7678 120.3347 59.4599 39.6494 174.2658 57 M 5.2258 8.8772 125.3044 53.2766 36.0823 174.1123 58 E 4.5392 9.1629 124.7920 57.2528 30.3448 173.5899 59 G 4.0793 9.0646 117.4094 46.5270 0.0000 176.1033 60 D 4.9932 9.2928 120.0374 52.0555 44.5005 175.1723 61 S 4.3892 9.2258 122.8776 62.2771 62.8967 176.3414 62 L 4.8136 7.7236 117.7010 54.6107 43.1983 179.4274 63 Q 4.4719 7.9516 123.5324 56.5109 29.0402 179.1063 64 E 4.6556 8.3488 111.8099 55.9734 31.7486 172.7150 65 R 4.2180 8.1288 118.1234 57.1233 30.7087 176.1530 66 T 4.6608 8.0300 109.8437 60.8418 71.9473 172.9811 67 Y 4.8716 8.4023 116.7506 58.1008 38.2648 176.1115 68 N 4.4994 7.7418 118.5161 54.1535 39.1554 173.6868 69 H 4.8037 7.9014 114.5169 55.8556 31.5174 172.6631 70 I 4.1800 7.6735 119.9719 59.6782 38.9417 174.3542 71 A 5.2340 8.2780 128.6077 50.1531 21.1431 175.3608 72 F 4.7814 9.1200 121.5228 55.7690 41.7257 175.0947 73 Q 4.8563 8.6951 124.0221 55.9254 30.4311 174.4044 74 I 5.1182 8.4798 125.5723 59.2252 41.8553 174.9991 75 Q 4.3010 8.5575 120.9890 55.7413 29.8891 177.3778 76 S 4.1657 8.7322 116.4247 61.9129 63.0588 176.5489 77 E 4.1263 8.2177 118.0050 58.4511 29.4893 177.2709 78 E 4.6610 8.1167 117.4980 55.7217 30.7512 177.7515 79 V 3.6651 7.9300 121.3670 66.5527 31.4099 177.9676 80 D 4.3832 8.0368 117.9566 57.0157 40.7304 178.1645 81 E 3.8163 8.0450 119.4814 59.4602 29.6467 178.2207 82 Y 3.8259 7.9824 116.7407 61.2626 37.8540 178.7049 83 T 3.7199 7.8957 116.5213 66.8154 68.4064 176.1050 84 E 3.9786 8.0622 121.8872 59.9540 29.8389 179.4506 85 R 3.9875 7.7808 120.7090 61.3356 29.4787 181.2600 86 I 3.6594 7.6928 120.8950 64.0351 36.9106 178.4637 87 K 3.9851 8.4392 120.3283 59.0223 31.7131 178.4327 88 A 4.1276 7.6368 120.0935 54.2327 18.2178 178.6150 89 L 4.4237 8.0771 116.5958 54.5129 41.7257 178.1108 90 G 4.4403 7.5311 106.3893 46.2939 0.0000 174.4244 91 V 4.0253 7.1261 112.2220 60.0488 32.6445 175.5765 92 E 4.2974 8.7668 122.8398 56.8333 30.3656 175.3797 93 M 5.3701 8.7381 125.6624 53.4350 35.7795 175.2036 94 K 4.3127 8.7929 122.0843 54.7342 32.8796 175.4998 95 P 4.3228 0.0000 0.0000 62.4104 31.8720 176.0004 96 E 4.3188 8.6818 123.1856 55.9445 30.1383 176.6972 97 R 4.4108 8.2927 124.4457 54.2800 31.5130 174.4164 98 P 4.4551 0.0000 0.0000 62.8939 31.8134 176.4611 99 R 4.6596 8.0729 116.5889 54.6309 32.8094 175.0052 100 V 4.2166 7.9514 112.6959 59.7165 33.4530 175.4955 101 Q 4.1681 8.3091 122.8167 57.3375 29.3810 176.9951 102 G 3.8492 8.7716 111.0336 45.5790 0.0000 173.1878 103 E 4.0258 7.9323 120.8454 55.3790 29.2519 176.3633 104 G 3.9056 8.6147 113.8142 47.2569 0.0000 171.7001 105 R 4.8773 8.0769 120.7796 54.4427 32.3759 175.5448 106 S 5.2490 8.6000 117.2362 56.7956 67.8894 172.6192 107 I 4.8931 8.8207 122.1413 59.8837 39.9741 174.2648 108 Y 5.2263 8.4793 124.3895 56.3292 40.5704 174.6858 109 F 5.0762 8.5531 116.9734 56.6015 41.6669 172.3923 110 Y 5.2891 9.2472 118.0600 56.5867 40.0804 176.7639 111 D 3.5901 8.2587 122.3317 53.0208 41.1925 176.9477 112 F 4.8044 8.0778 120.7807 58.1938 39.3039 175.3449 113 D 4.7984 8.4951 121.5410 54.3371 41.9339 176.8118 114 N 4.3114 8.6158 113.9942 53.7304 36.5137 174.1136 115 H 4.6061 7.8637 116.3605 55.3185 30.3133 174.0018 116 L 4.4869 8.4175 124.5686 53.8708 43.7160 175.2077 117 F 4.7564 8.9221 124.2818 55.4832 42.9986 173.7419 118 E 4.9144 8.9613 120.2589 54.4673 33.4082 174.0039 119 L 5.2184 8.9683 126.0240 53.2923 44.4026 174.6985 120 H 5.2075 9.6420 124.1281 53.3060 32.8128 172.4825 121 A 5.7976 8.1522 126.7658 50.6369 22.4138 177.6933 122 G 3.8479 8.5962 107.5126 44.7947 0.0000 172.8706 123 T 3.8886 8.3513 113.6838 61.6945 67.8189 174.7089 124 L 4.0255 8.5807 131.1132 55.1490 42.6193 175.5517 125 E 4.7327 8.1466 121.8267 56.1277 31.3970 174.5860 126 E 4.5284 8.8129 120.5355 55.3537 30.6809 176.2008 127 R 4.5830 8.3172 122.7592 56.1172 30.6589 177.9969 128 L 3.5925 8.4351 121.3152 57.6110 41.3375 178.9378 129 K 4.1853 7.8340 115.4807 57.8703 32.0790 178.2754 130 R 3.9872 7.8060 118.0398 57.2990 30.3931 175.9636 131 Y 4.2747 8.4235 123.2720 57.9868 38.4137 175.3289 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 4.49 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 2 I 8.28 3.78 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 1.47 0.56 0.94 0.00 0.00 3 S 8.81 4.50 0.00 3.97 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 4 G 7.27 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 5 L 8.25 4.11 0.00 1.63 1.65 0.93 0.92 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 6 S 8.75 4.37 0.00 3.89 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 7 H 7.38 5.05 0.00 3.57 3.45 0.00 5.53 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.55 4.66 1.95 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 1.22 0.70 0.91 0.00 0.00 9 T 8.57 5.17 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 1.20 0.00 0.00 10 L 8.99 4.85 0.00 1.49 1.33 1.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.41 4.90 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.83 1.00 0.00 0.00 12 V 8.67 4.70 2.28 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 0.76 0.00 0.00 0.99 0.00 0.00 13 K 9.62 3.88 0.00 1.73 1.71 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.24 7.81 14 D 7.78 4.86 0.00 2.63 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.50 4.15 0.00 1.78 1.79 0.99 0.81 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 16 N 8.27 4.43 0.00 2.89 2.89 0.00 0.00 7.18 7.60 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 17 K 8.32 4.00 0.00 1.70 1.33 0.00 1.35 0.00 0.00 0.94 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.20 1.46 7.81 18 T 8.23 4.20 4.34 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 1.26 0.00 0.00 19 T 8.50 3.88 4.60 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 1.48 0.00 0.00 20 A 8.22 4.05 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.53 4.10 0.00 3.29 3.34 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 22 L 8.49 3.99 0.00 1.16 1.20 0.38 0.39 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 Q 8.64 4.02 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.71 2.64 0.00 24 N 8.41 4.25 0.00 2.71 2.78 0.00 0.00 7.12 7.37 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 25 I 7.29 3.64 0.58 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.04 -0.38 0.00 0.00 26 F 7.55 4.45 0.00 2.78 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 27 N 8.02 4.18 0.00 2.80 2.82 0.00 0.00 7.05 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 28 A 7.72 4.20 1.12 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 0.00 0.00 29 E 9.13 4.51 0.00 2.11 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 2.21 2.28 0.00 30 E 8.95 3.94 0.00 1.99 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 1.85 1.47 0.00 31 I 9.91 4.31 2.01 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 1.20 1.21 1.00 0.00 0.00 *32 Y 8.37 4.24 0.00 2.43 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 0.00 0.00 0.00 0.00 *38 T 7.91 4.16 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 1.33 0.00 0.00 39 F 8.72 4.35 0.00 3.09 3.11 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 0.00 0.00 0.00 40 S 7.93 4.51 0.00 3.63 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 41 L 8.37 4.42 0.00 1.65 1.77 0.94 0.87 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 42 S 7.58 4.81 0.00 3.75 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 43 K 7.80 4.47 0.00 1.69 1.74 0.00 1.69 0.00 0.00 2.04 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.37 7.81 44 E 8.37 5.21 0.00 1.96 1.88 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 2.21 2.37 0.00 45 K 9.04 4.70 0.00 1.75 1.48 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.76 7.81 46 F 8.79 5.42 0.00 3.03 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 47 F 9.50 5.43 0.00 2.99 2.89 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 48 L 8.95 5.05 0.00 1.32 1.26 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.39 4.48 1.78 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.64 0.45 0.00 0.00 50 A 9.70 3.73 1.37 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 0.00 0.00 51 G 8.31 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 0.00 0.00 0.00 52 L 7.79 4.66 0.00 1.78 1.89 0.95 1.24 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 53 W 9.01 5.17 0.00 3.49 3.40 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 54 I 9.35 5.10 2.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.73 1.13 0.00 0.00 55 C 9.21 4.60 0.00 1.72 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 56 I 8.77 4.97 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.63 0.98 0.00 0.00 57 M 8.88 5.23 0.00 2.06 1.85 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 2.76 2.50 0.00 58 E 9.16 4.54 0.00 1.94 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 2.37 2.44 0.00 59 G 9.06 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 60 D 9.29 4.99 0.00 2.63 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 61 S 9.23 4.39 0.00 3.85 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 62 L 7.72 4.81 0.00 1.59 1.44 0.92 0.70 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 63 Q 7.95 4.47 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.84 0.00 0.00 0.00 0.00 0.00 2.25 1.92 0.00 64 E 8.35 4.66 0.00 1.97 1.75 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 2.16 1.88 0.00 65 R 8.13 4.22 0.00 1.70 1.87 0.00 2.79 0.00 0.00 2.60 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.53 0.00 66 T 8.03 4.66 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 1.20 0.00 0.00 67 Y 8.40 4.87 0.00 2.95 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 68 N 7.74 4.50 0.00 2.67 2.73 0.00 0.00 6.74 9.17 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 69 H 7.90 4.80 0.00 3.03 3.13 0.00 5.11 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.67 4.18 1.45 0.00 0.00 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 0.94 0.97 0.39 0.00 0.00 71 A 8.28 5.23 1.10 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 0.00 0.00 72 F 9.12 4.78 0.00 3.15 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 73 Q 8.70 4.86 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.55 2.34 0.00 74 I 8.48 5.12 1.78 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.30 0.97 0.00 0.00 75 Q 8.56 4.30 0.00 2.39 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 76 S 8.73 4.17 0.00 3.91 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 77 E 8.22 4.13 0.00 2.11 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 2.32 2.35 0.00 78 E 8.12 4.66 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 2.30 2.34 0.00 79 V 7.93 3.67 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 1.05 0.00 0.00 1.02 0.00 0.00 80 D 8.04 4.38 0.00 2.71 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 81 E 8.05 3.82 0.00 1.87 1.87 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 2.18 2.15 0.00 82 Y 7.98 3.83 0.00 3.00 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 83 T 7.90 3.72 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 1.19 0.00 0.00 84 E 8.06 3.98 0.00 2.03 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 2.32 0.00 85 R 7.78 3.99 0.00 1.88 1.92 0.00 3.33 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 86 I 7.69 3.66 1.65 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.33 0.54 0.00 0.00 87 K 8.44 3.99 0.00 1.85 1.95 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.50 7.81 88 A 7.64 4.13 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 89 L 8.08 4.42 0.00 1.90 1.90 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.53 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 0.00 0.00 0.00 0.00 91 V 7.13 4.03 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 0.36 0.00 0.00 1.22 0.00 0.00 92 E 8.77 4.30 0.00 2.17 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 2.52 2.71 0.00 93 M 8.74 5.37 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.60 0.00 94 K 8.79 4.31 0.00 0.99 1.08 0.00 0.79 0.00 0.00 1.01 0.00 0.00 2.75 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.37 1.24 7.81 95 P 0.00 4.32 0.00 2.14 2.07 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 96 E 8.68 4.32 0.00 2.03 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 0.00 2.35 2.40 0.00 97 R 8.29 4.41 0.00 1.73 1.78 0.00 3.46 0.00 0.00 3.75 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.29 0.00 98 P 0.00 4.46 0.00 2.02 1.98 0.00 3.60 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 99 R 8.07 4.66 0.00 1.84 1.83 0.00 3.03 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 100 V 7.95 4.22 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 0.89 0.00 0.00 0.92 0.00 0.00 101 Q 8.31 4.17 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.85 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 102 G 8.77 3.85 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 0.00 0.00 0.00 103 E 7.93 4.03 0.00 1.97 1.94 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 2.31 2.24 0.00 104 G 8.61 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 0.00 0.00 0.00 105 R 8.08 4.88 0.00 1.81 1.84 0.00 3.07 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 106 S 8.60 5.25 0.00 3.81 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 0.00 107 I 8.82 4.89 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.72 0.84 0.00 0.00 108 Y 8.48 5.23 0.00 2.57 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.55 5.08 0.00 3.29 3.03 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 0.00 110 Y 9.25 5.29 0.00 2.88 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 0.00 111 D 8.26 3.59 0.00 1.58 1.54 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 0.00 112 F 8.08 4.80 0.00 3.03 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 0.00 113 D 8.50 4.80 0.00 2.66 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 0.00 114 N 8.62 4.31 0.00 2.81 2.94 0.00 0.00 7.18 8.16 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 0.00 115 H 7.86 4.61 0.00 3.59 3.01 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.42 4.49 0.00 1.72 1.66 0.41 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.92 4.76 0.00 2.12 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 0.00 118 E 8.96 4.91 0.00 1.41 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.47 0.00 119 L 8.97 5.22 0.00 1.56 1.36 0.25 0.71 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 0.00 120 H 9.64 5.21 0.00 3.14 3.06 0.00 5.76 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 0.00 121 A 8.15 5.80 1.25 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 0.00 0.00 122 G 8.60 3.85 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 0.00 0.00 0.00 123 T 8.35 3.89 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 1.26 0.00 0.00 124 L 8.58 4.03 0.00 1.59 1.56 0.80 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.15 4.73 0.00 2.09 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 2.39 2.23 0.00 126 E 8.81 4.53 0.00 1.96 1.92 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 2.27 2.42 0.00 127 R 8.32 4.58 0.00 2.21 2.06 0.00 3.21 0.00 0.00 3.20 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 128 L 8.44 3.59 0.00 1.51 1.25 0.82 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 129 K 7.83 4.19 0.00 1.71 1.85 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.54 7.81 130 R 7.81 3.99 0.00 1.04 1.46 0.00 3.22 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 131 Y 8.42 4.27 0.00 2.87 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 * Residues marked with a * may have inaccurate shift predictions.