NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4473 8.3193 115.4132 58.1224 64.6144 173.7083 3 M 4.0458 8.1260 118.7637 55.6951 31.9677 174.1083 4 K 4.4257 9.1381 123.3633 55.3011 34.6250 177.7358 5 T 4.0848 8.2358 119.5743 62.8890 69.0579 174.4069 6 L 4.1047 8.3994 128.7168 54.1669 42.7171 174.9019 7 P 4.4183 0.0000 0.0000 62.2990 31.9915 175.9917 8 K 4.2494 8.4103 121.3473 55.8485 32.6582 176.4913 9 E 4.5550 8.3593 124.0918 54.3778 32.5579 174.5465 10 R 3.8462 8.5730 126.6377 56.4550 30.7053 175.2256 11 R 4.5583 7.7611 121.8002 54.5447 33.7197 175.0112 12 F 4.8534 8.2549 116.0653 57.1936 41.0786 176.8969 13 E 3.6210 8.4562 120.6494 57.1082 27.2947 174.8839 14 T 3.9120 8.3425 121.9859 66.2461 68.9915 174.4951 15 F 4.4842 9.0208 123.5593 57.8847 36.9671 176.1107 16 S 4.6131 8.1888 114.0069 59.4028 63.1092 174.2710 17 Y 4.2196 8.0577 117.6471 58.1895 38.6732 175.6690 18 L 4.5148 7.7076 120.3393 52.5738 42.8660 174.8633 19 P 4.3078 0.0000 0.0000 62.2784 31.5550 174.4637 20 P 4.2291 0.0000 0.0000 62.9263 31.7696 176.0275 21 L 4.2201 8.3722 122.6564 54.3196 42.1003 177.9771 22 S 4.3525 9.0494 119.5706 58.3415 65.1089 175.2328 23 D 4.3623 8.5359 121.6145 57.2450 40.5080 179.2305 24 R 4.0001 7.8994 118.6362 59.1449 30.0557 178.7397 25 Q 3.9403 7.7587 118.1377 58.7312 28.7320 178.5376 26 I 3.6463 8.0483 121.0397 64.4164 37.0793 178.3512 27 A 4.1263 8.0671 120.9183 54.8445 18.2809 179.5548 28 A 3.9593 8.0175 119.6419 55.3641 18.5156 179.8916 29 Q 4.1018 7.9591 116.5057 59.1234 28.8005 178.8085 30 I 4.0257 8.0312 120.9274 64.1492 37.0570 178.2837 31 E 3.9830 8.6136 119.9716 59.5190 29.2586 178.4610 32 Y 4.1127 8.0084 119.2896 61.1517 38.8076 177.9001 33 M 4.0194 8.1149 118.9062 58.7846 32.3040 178.6468 34 I 3.6688 7.7224 119.3621 64.7006 37.1274 178.4295 35 E 3.8840 7.9541 117.8757 59.4634 29.3882 179.2141 36 Q 3.6520 7.5628 116.9038 56.7814 28.5543 177.4431 37 G 3.7964 7.1324 107.1804 44.8415 0.0000 173.5546 38 F 4.8763 7.1143 117.8167 57.6748 40.0789 174.6475 39 H 4.9052 8.9106 119.3883 53.9922 30.2917 173.2724 40 P 4.9966 0.0000 0.0000 62.6475 32.8457 175.2121 41 L 4.9468 8.9059 124.4877 53.6509 45.9231 174.6306 42 I 4.9304 8.5791 126.4546 60.0036 39.3188 174.4240 43 E 5.5268 9.2409 125.8134 54.5752 33.6331 174.8553 44 F 5.6974 8.9006 116.7940 55.5628 41.9417 173.0840 45 N 4.7082 8.5860 117.3905 52.0828 41.7785 175.4329 46 E 3.9110 8.7835 124.4176 58.8342 29.8698 176.4760 47 H 5.1583 7.6580 113.7479 54.0360 32.5695 173.6135 48 S 4.6161 8.1304 114.5735 56.3529 61.6708 171.1520 49 N 4.8193 7.9570 120.4410 50.4705 39.8745 174.8168 50 P 4.3958 0.0000 0.0000 65.4772 31.5861 177.5763 51 E 3.8045 7.6360 119.3965 58.6600 29.6593 176.6955 *64 E 3.9994 7.7213 115.6443 56.2568 30.6477 175.7397 65 F 4.5220 8.2964 120.8870 58.9888 39.6154 175.6782 66 Y 4.8576 7.7249 117.5344 55.9901 39.6257 175.2858 67 W 4.7673 8.8781 124.4461 55.6795 31.9562 175.2384 68 T 4.3073 8.0532 117.5592 62.4611 69.4967 174.5758 69 M 4.4476 8.4757 126.3670 55.2397 33.2235 175.2021 70 W 4.8228 9.3354 135.0000 55.9034 31.3560 176.9791 71 K 3.4209 8.5109 129.1549 57.5430 30.4939 178.2996 72 L 4.8623 8.2268 126.3359 52.5770 45.1766 173.8774 73 P 4.2332 0.0000 0.0000 62.8666 31.6100 177.7724 74 L 4.3172 8.1964 123.4506 53.8353 40.0788 176.9215 75 F 4.4085 8.2943 123.1959 60.9139 39.5178 177.1965 76 D 4.7684 7.9361 120.7187 51.5294 38.1963 174.8655 77 C 4.7253 8.2665 124.1265 58.0203 34.5286 175.1656 78 K 4.6153 8.2724 132.6638 53.0578 32.3607 175.3444 79 S 4.6124 7.5498 112.6068 55.9560 64.8719 176.5953 80 P 4.3865 0.0000 0.0000 65.2014 31.0394 178.3544 81 Q 4.0064 8.0618 117.8016 58.9404 28.9847 177.6237 82 Q 4.0163 8.0814 120.6738 59.1306 29.0777 178.6117 83 V 3.6269 7.7657 118.6272 66.1760 31.7689 177.9171 84 L 4.0837 8.0686 118.5840 57.7890 41.3168 179.3406 85 D 4.4072 8.7190 119.5397 57.3422 40.7270 178.5888 86 E 4.1491 8.1587 118.8983 59.2881 29.4022 179.5396 87 V 3.4234 7.9238 118.3823 65.9011 31.6331 178.2854 88 R 3.8160 7.9799 117.7869 59.3021 29.7968 178.7218 89 E 3.8899 8.2565 119.1376 59.2658 29.5504 178.4270 90 C 2.4500 7.7424 119.1925 61.7915 31.2179 175.5627 91 R 3.6147 7.7355 119.5191 59.0870 29.5898 178.4664 92 S 4.1194 7.3918 114.5602 61.4252 62.9391 175.7476 93 E 3.8978 7.3754 120.2665 57.7010 30.7932 176.0589 94 Y 4.9326 7.2537 116.0402 55.8592 38.8488 176.6290 95 G 3.6437 7.7527 109.5002 47.6468 0.0000 174.0271 96 D 4.6631 8.0500 118.3126 54.1702 39.7945 175.0425 97 C 4.9004 7.5386 116.4577 57.9692 32.0454 173.2955 98 Y 4.4540 8.7935 118.8928 58.1705 38.8314 175.0235 99 I 5.3899 9.2454 124.2526 59.6674 41.2239 174.5455 100 R 5.0005 9.3438 125.8067 54.6515 33.8910 173.6339 101 V 4.6784 8.2983 125.9122 61.3362 33.4185 174.3366 102 A 5.1104 8.9170 129.0362 50.0549 22.5438 174.7641 103 G 4.4278 8.5601 108.1609 44.4823 0.0000 172.2823 104 F 4.7909 8.8913 125.4982 55.9571 42.5507 173.3724 105 D 5.1168 8.1581 127.2977 53.3976 41.4936 176.4910 106 N 4.9926 9.1521 123.4839 54.2048 38.5043 176.6177 107 I 3.9425 8.0543 120.2907 64.4254 37.5585 177.3285 108 K 4.1004 8.2265 117.2803 56.2150 32.7011 176.1442 109 E 4.4040 7.8860 118.3741 56.1738 28.1602 173.4030 110 C 4.5722 6.6962 114.2657 56.9035 35.8383 173.1278 111 Q 4.1566 8.3896 126.2868 56.7663 28.4193 175.5464 112 T 4.1391 8.4466 117.6896 62.2410 70.3691 175.1699 113 V 4.5647 7.0408 120.5283 61.1920 35.6477 174.5337 114 S 4.7682 8.5333 115.4290 57.7120 64.8883 174.7513 115 F 5.1097 8.0419 121.9836 55.3774 41.5757 173.9533 116 I 4.3440 8.6961 122.3086 61.8595 37.4350 176.2993 117 V 4.4983 8.6827 118.0564 61.9172 33.2353 175.7228 118 H 4.7286 8.0154 120.6488 55.1386 33.0103 172.4083 119 R 4.3928 8.2146 124.8595 53.6390 31.7782 174.5480 120 P 4.3451 0.0000 0.0000 62.3957 32.3014 176.0429 121 G 3.4620 8.0344 108.4815 47.4359 0.0000 173.6830 122 R 4.2628 8.5419 125.3371 56.6275 31.0019 175.6296 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 S 8.32 4.45 0.00 4.00 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 3 M 8.13 4.05 0.00 2.23 2.12 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 2.57 2.63 0.00 4 K 9.14 4.43 0.00 1.77 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.45 7.81 5 T 8.24 4.08 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 6 L 8.40 4.10 0.00 1.60 1.60 0.96 1.05 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 7 P 0.00 4.42 0.00 2.08 1.97 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 8 K 8.41 4.25 0.00 1.74 1.75 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.42 7.81 9 E 8.36 4.56 0.00 1.84 1.70 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 2.17 2.29 0.00 10 R 8.57 3.85 0.00 1.75 1.74 0.00 3.20 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.43 0.00 11 R 7.76 4.56 0.00 1.75 1.75 0.00 3.16 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 12 F 8.25 4.85 0.00 3.12 3.09 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 0.00 0.00 0.00 13 E 8.46 3.62 0.00 2.18 1.80 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 2.28 2.22 0.00 14 T 8.34 3.91 4.15 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 0.35 0.00 0.00 15 F 9.02 4.48 0.00 3.32 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 16 S 8.19 4.61 0.00 4.28 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 17 Y 8.06 4.22 0.00 3.02 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 18 L 7.71 4.51 0.00 1.86 1.59 0.91 0.91 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 19 P 0.00 4.31 0.00 2.16 2.07 0.00 3.81 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 1.97 2.00 0.00 20 P 0.00 4.23 0.00 2.06 2.07 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 21 L 8.37 4.22 0.00 1.59 1.49 0.47 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.05 4.35 0.00 4.01 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 23 D 8.54 4.36 0.00 2.71 2.77 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 0.00 0.00 0.00 0.00 24 R 7.90 4.00 0.00 1.83 1.95 0.00 3.11 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 25 Q 7.76 3.94 0.00 2.20 1.94 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 2.26 2.32 0.00 26 I 8.05 3.65 2.07 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.09 1.10 0.00 0.00 27 A 8.07 4.13 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.02 3.96 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 29 Q 7.96 4.10 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.24 1.85 0.00 30 I 8.03 4.03 2.10 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.95 1.00 0.00 0.00 31 E 8.61 3.98 0.00 2.31 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 0.00 2.37 2.52 0.00 32 Y 8.01 4.11 0.00 3.14 3.33 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 33 M 8.11 4.02 0.00 2.30 2.46 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.12 2.97 0.00 34 I 7.72 3.67 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.34 0.91 0.00 0.00 35 E 7.95 3.88 0.00 1.92 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 2.31 2.48 0.00 36 Q 7.56 3.65 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.72 0.00 0.00 0.00 0.00 0.00 1.16 1.37 0.00 37 G 7.13 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 38 F 7.11 4.88 0.00 2.95 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 39 H 8.91 4.91 0.00 3.31 3.22 0.00 5.81 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 5.00 0.00 2.11 2.02 0.00 3.83 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 41 L 8.91 4.95 0.00 1.65 1.44 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.58 4.93 2.14 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.53 0.93 0.00 0.00 43 E 9.24 5.53 0.00 2.11 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 0.00 2.29 2.26 0.00 44 F 8.90 5.70 0.00 3.05 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 45 N 8.59 4.71 0.00 1.44 1.42 0.00 0.00 7.45 7.24 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 46 E 8.78 3.91 0.00 1.70 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 47 H 7.66 5.16 0.00 2.94 3.14 0.00 5.79 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.13 4.62 0.00 2.98 3.50 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 49 N 7.96 4.82 0.00 2.81 2.92 0.00 0.00 6.74 8.03 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 50 P 0.00 4.40 0.00 2.14 2.15 0.00 3.72 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 1.94 1.94 0.00 51 E 7.64 3.80 0.00 2.07 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 2.25 2.24 0.00 *64 E 7.72 4.00 0.00 2.02 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 2.16 2.23 0.00 65 F 8.30 4.52 0.00 2.32 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 0.00 0.00 0.00 66 Y 7.72 4.86 0.00 3.07 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 67 W 8.88 4.77 0.00 3.13 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 68 T 8.05 4.31 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 0.99 0.00 0.00 69 M 8.48 4.45 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.75 0.00 70 W 9.34 4.82 0.00 3.72 3.33 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 71 K 8.51 3.42 0.00 1.64 0.74 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.69 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.83 0.21 7.81 72 L 8.23 4.86 0.00 1.56 1.54 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.23 0.00 0.49 1.47 0.00 3.56 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 74 L 8.20 4.32 0.00 1.70 1.65 0.99 0.89 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 75 F 8.29 4.41 0.00 3.07 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 76 D 7.94 4.77 0.00 2.69 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 77 C 8.27 4.73 0.00 2.98 2.86 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 78 K 8.27 4.62 0.00 1.76 1.56 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 0.96 7.81 79 S 7.55 4.61 0.00 3.58 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 80 P 0.00 4.39 0.00 2.18 2.21 0.00 3.59 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 2.15 2.21 0.00 81 Q 8.06 4.01 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 82 Q 8.08 4.02 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 83 V 7.77 3.63 2.31 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 1.08 0.00 0.00 0.99 0.00 0.00 84 L 8.07 4.08 0.00 1.93 1.73 0.96 1.02 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 D 8.72 4.41 0.00 2.87 2.76 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 86 E 8.16 4.15 0.00 2.25 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 0.00 2.66 2.63 0.00 87 V 7.92 3.42 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 1.07 0.00 0.00 1.00 0.00 0.00 88 R 7.98 3.82 0.00 2.07 1.92 0.00 3.18 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 89 E 8.26 3.89 0.00 2.25 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 0.00 2.56 2.42 0.00 90 C 7.74 2.45 0.00 1.23 2.37 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 91 R 7.74 3.61 0.00 1.75 1.88 0.00 3.18 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.17 0.00 92 S 7.39 4.12 0.00 3.98 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 93 E 7.38 3.90 0.00 1.92 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 1.81 2.11 0.00 94 Y 7.25 4.93 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.75 3.64 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 0.00 0.00 0.00 96 D 8.05 4.66 0.00 2.83 2.90 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 97 C 7.54 4.90 0.00 3.15 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 98 Y 8.79 4.45 0.00 2.78 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 99 I 9.25 5.39 1.96 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.93 0.99 0.00 0.00 100 R 9.34 5.00 0.00 1.79 1.64 0.00 2.78 0.00 0.00 2.74 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.27 0.00 101 V 8.30 4.68 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 0.78 0.00 0.00 0.85 0.00 0.00 102 A 8.92 5.11 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 0.00 103 G 8.56 4.43 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 0.00 104 F 8.89 4.79 0.00 3.20 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 0.00 105 D 8.16 5.12 0.00 2.37 2.34 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 0.00 106 N 9.15 4.99 0.00 3.07 3.28 0.00 0.00 6.34 7.81 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 0.00 107 I 8.05 3.94 2.08 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 1.36 0.84 0.93 0.00 0.00 108 K 8.23 4.10 0.00 1.82 1.77 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.51 7.81 109 E 7.89 4.40 0.00 2.09 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 2.48 2.64 0.00 110 C 6.70 4.57 0.00 2.87 2.43 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 0.00 111 Q 8.39 4.16 0.00 2.15 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 112 T 8.45 4.14 3.60 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 0.61 0.00 0.00 113 V 7.04 4.56 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 1.37 0.00 0.00 1.17 0.00 0.00 114 S 8.53 4.77 0.00 3.75 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.04 5.11 0.00 3.32 3.33 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 0.00 116 I 8.70 4.34 1.98 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.97 1.08 0.00 0.00 117 V 8.68 4.50 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 0.84 0.00 0.00 1.00 0.00 0.00 118 H 8.02 4.73 0.00 3.14 3.10 0.00 5.65 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.21 4.39 0.00 1.47 1.44 0.00 3.15 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.38 0.00 120 P 0.00 4.35 0.00 1.88 1.90 0.00 2.53 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.36 0.00 121 G 8.03 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 122 R 8.54 4.26 0.00 1.91 1.90 0.00 3.31 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.