NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3477 8.2493 123.5862 51.8080 19.8062 177.8765 3 R 4.7516 8.3599 120.2918 55.2620 26.1838 174.6131 4 I 3.5671 7.7443 127.5475 65.1082 38.9675 180.6157 5 A 4.2985 7.7430 126.3769 51.9060 19.3636 176.8703 6 G 4.1820 8.6198 105.4254 48.7830 0.0000 176.6168 7 V 4.4849 7.3943 119.3985 61.5530 32.0324 174.3145 8 E 4.6218 8.4264 118.0481 54.3549 31.4592 175.4641 9 I 4.5679 8.1393 125.1586 58.2836 37.8617 173.3897 10 P 4.6096 0.0000 0.0000 63.1248 32.0816 175.0919 11 R 4.2395 8.5981 115.4820 56.7289 33.6082 175.6432 12 N 4.2117 8.0253 114.3354 54.8116 37.5020 173.0697 13 K 4.6474 8.1210 119.4287 53.9108 36.6846 175.3471 14 R 4.9658 8.2685 115.2912 55.8678 30.1684 177.8607 15 V 3.5947 8.6467 116.1565 64.6946 31.2101 178.3783 16 D 4.4402 7.9125 117.7344 56.3619 39.9117 178.1416 17 V 3.8440 7.9405 119.1108 63.1253 31.5645 177.7021 18 A 3.7474 7.2767 119.4862 55.7053 18.0956 179.6166 19 L 4.0891 7.8692 115.1427 57.8354 41.7712 179.3525 20 T 4.3751 7.4945 117.1897 66.0867 68.1646 176.6352 21 Y 4.6908 7.6355 115.9715 58.2568 37.3583 175.6768 22 I 5.6056 8.3367 119.7704 58.4264 40.5890 174.5085 23 Y 4.1175 8.6929 125.5734 59.8232 38.4344 175.8259 24 G 4.1038 8.6574 115.0554 45.2126 0.0000 172.6490 25 I 4.2720 7.9489 121.0068 59.3098 39.9146 175.0379 26 G 4.3053 8.1352 115.4358 43.2076 0.0000 171.7997 27 K 3.8300 8.7277 118.5512 59.4020 31.9120 178.2882 28 A 4.1119 7.4754 120.9911 53.9890 18.7314 178.4513 29 R 4.0740 8.2373 116.8177 57.6170 30.9778 178.3921 30 A 4.2707 7.8494 122.0530 54.7149 19.0091 179.0005 31 K 4.2056 8.4821 112.3594 57.1581 32.4988 177.9578 32 E 4.4861 8.3732 119.6111 58.1563 30.4975 177.4088 33 A 4.3754 8.0394 117.5697 53.6644 18.8392 178.5054 34 L 4.4571 8.0600 118.9377 55.6119 41.8440 178.4770 35 E 4.0519 7.9975 117.5882 58.6744 29.7206 178.4124 36 K 3.8477 7.6693 116.5956 57.3151 32.5498 177.1885 37 T 4.0855 7.1515 109.0759 60.5351 70.9971 173.4626 38 G 3.7667 8.1330 108.5809 45.5673 0.0000 173.9763 39 I 4.3187 7.0562 116.3389 59.1859 40.9899 174.7683 40 N 4.1694 8.9351 124.5529 53.3467 38.7410 173.0556 41 P 4.1595 0.0000 0.0000 65.7293 31.4447 177.9822 42 A 4.0663 8.2073 118.6622 54.1631 18.8386 178.7102 43 T 4.2573 7.6998 106.7067 61.0260 69.8717 173.4070 44 R 5.0592 8.1111 118.5666 54.7529 33.8811 175.7850 45 V 3.7280 8.7731 121.5921 65.6904 31.7240 178.5906 46 K 4.1634 8.1933 114.5816 56.6107 31.8786 175.8304 47 D 4.5032 7.9350 117.3866 53.0229 42.1671 175.8284 48 L 4.5836 8.2980 123.4218 54.2096 42.2332 174.3105 49 T 3.9917 8.9030 118.3187 64.3500 70.4366 175.5361 50 E 4.0759 8.7222 122.1348 58.9428 29.4908 179.7081 51 A 3.9487 7.8737 120.8782 55.1134 18.5540 178.8289 52 E 4.0200 8.1724 116.6757 59.8315 29.0543 179.3590 53 V 3.6751 7.7481 117.7545 67.1037 31.2846 177.6076 54 V 3.6248 7.9572 117.9908 65.0581 31.2297 177.4153 55 R 3.8814 9.2033 119.4953 60.0917 29.9824 178.1123 56 L 4.0241 8.7629 121.0448 57.7360 42.1416 178.6442 57 R 3.9300 9.5821 119.4128 59.6990 30.1670 178.1041 58 E 4.0475 10.0683 118.3994 59.7548 29.2012 178.1915 59 Y 3.9751 8.2830 118.9475 61.5226 38.5994 178.2486 60 V 3.5633 8.4739 117.6415 67.4727 31.3843 177.5822 61 E 3.8742 8.9024 121.9920 58.4747 29.8270 178.1290 62 N 4.6517 7.5935 114.8359 55.4400 39.6770 175.9040 63 T 3.4117 8.2825 117.0152 65.5418 68.8714 175.0703 64 W 5.0773 6.9037 119.0731 54.5761 31.0541 173.6868 65 K 4.8234 8.2847 117.8821 55.7506 35.2805 175.6252 66 L 4.5836 9.0479 120.0769 55.8754 47.2468 172.7232 67 E 3.2992 8.7733 120.8640 58.2724 29.3199 176.9657 68 G 3.6161 9.0959 119.0885 45.1407 0.0000 172.0791 69 E 4.6509 8.6194 120.7382 55.4594 32.2233 172.4110 70 L 4.5443 8.2649 132.5483 54.6583 41.0767 174.6977 71 R 3.3615 7.0056 122.4126 59.1872 29.8990 177.8089 72 A 3.9062 8.5592 120.2242 53.9229 18.6004 178.5651 73 E 4.3459 8.9458 118.9278 58.4285 29.9722 178.2960 74 V 3.5305 7.7534 116.6493 65.4206 31.5016 176.9635 75 A 4.2670 7.6454 119.2006 53.5067 18.6531 179.2598 76 A 3.9058 7.2342 120.3302 55.2056 18.5247 179.4489 77 N 4.2441 8.8690 115.3525 56.5166 38.3164 177.4702 78 I 3.9204 7.1598 119.9638 63.4403 37.3238 178.1366 79 K 4.0830 7.8952 119.3519 59.3773 32.1345 178.6259 80 R 4.1043 8.0356 118.3607 59.5677 29.4038 178.3147 81 L 4.2646 7.5823 114.3216 55.8208 40.9645 177.7168 82 M 4.6890 7.8353 115.7989 54.9012 32.3001 178.1335 83 D 4.9258 7.5781 120.1684 52.9103 38.6747 178.9493 84 I 3.6834 8.4018 118.0113 62.7111 37.6321 175.9715 85 G 4.1186 9.5663 110.7105 45.4912 0.0000 173.1095 86 C 4.1794 8.0709 113.6295 58.2231 30.5721 174.7411 87 Y 4.1127 8.7883 121.4102 60.9096 38.4267 178.6465 88 R 3.7816 8.1085 118.3711 58.8448 30.7431 177.4894 89 G 3.7754 8.3741 107.9104 48.2030 0.0000 175.3589 90 L 4.4488 7.2013 121.9890 54.7825 41.6473 178.9159 91 R 3.3229 8.6030 115.4993 58.2860 29.3105 176.6270 92 H 4.7284 8.7275 112.6021 57.4694 30.8130 175.5382 93 R 4.0481 7.6774 116.8219 59.0756 30.4266 178.2844 94 R 4.3511 7.4141 113.9750 61.2602 30.1087 180.1146 95 G 3.6825 7.1542 101.8343 46.7445 0.0000 173.5655 96 L 4.5190 9.6325 126.7160 52.6267 46.3426 173.5901 97 P 4.4677 0.0000 0.0000 62.4329 32.4929 177.5514 98 V 4.2139 8.1096 125.9694 61.5808 30.3848 175.6239 99 R 4.5336 7.1526 115.0612 56.2811 31.5933 176.2835 100 G 3.8734 8.5733 105.9669 46.5752 0.0000 172.4746 101 Q 4.4784 7.9147 122.7500 54.4610 33.4705 175.9359 102 R 4.3272 8.3090 115.8361 56.6768 27.9413 177.8758 103 T 4.1459 7.6593 103.6503 62.6704 69.1304 175.7675 104 R 4.2807 7.8127 122.8891 57.2956 30.4022 175.2673 105 T 4.3980 7.1549 104.5558 62.4052 71.6574 177.1044 106 N 4.5652 7.7026 122.9415 50.9189 41.1778 174.6247 107 A 4.1172 8.9351 121.3655 52.9235 17.0667 179.7528 108 R 4.1762 8.1129 112.3596 58.4122 29.8874 177.4437 109 T 4.2718 8.3122 116.4014 65.6195 69.1894 176.3430 110 R 4.4895 7.7915 116.5593 55.4742 30.2010 175.2748 111 K 4.4336 7.6832 118.4351 55.5807 35.7281 176.2353 112 G 3.7949 8.4887 108.0540 44.9521 0.0000 171.4613 113 P 4.3671 0.0000 0.0000 62.2653 31.9985 176.0499 114 R 3.9315 8.3917 118.1056 57.4064 30.2313 177.0024 115 K 4.4803 8.5871 119.2057 55.7183 34.0633 178.4402 116 T 3.1707 8.4778 117.1813 62.9183 68.4659 173.5877 117 V 3.3811 8.7937 130.8850 63.0487 31.8810 170.0516 118 A 4.2584 7.7719 125.8194 53.0252 21.3971 175.1977 119 G 4.0137 8.3049 108.5120 45.6737 0.0000 173.7830 120 K 3.9499 8.3541 119.6241 56.8704 31.9726 176.2072 121 K 4.6563 8.3333 122.3555 54.4480 35.8167 175.8389 122 K 4.4957 8.4318 119.8665 54.7575 34.7334 175.1491 123 A 4.7639 8.1613 122.4307 50.0563 20.6490 175.2680 124 P 4.4203 0.0000 0.0000 64.1417 32.1191 176.6446 125 R 4.1153 7.6780 120.4579 55.9117 31.2973 177.0797 *126 K 4.1215 8.3450 119.1408 55.1297 32.4047 173.1013 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 A 8.25 4.35 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.36 4.75 0.00 2.03 2.02 0.00 2.67 0.00 0.00 3.90 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 4 I 7.74 3.57 1.93 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 1.38 0.80 0.97 0.00 0.00 5 A 7.74 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 6 G 8.62 4.18 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 0.00 7 V 7.39 4.48 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 0.84 0.00 0.00 0.93 0.00 0.00 8 E 8.43 4.62 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 2.33 2.33 0.00 9 I 8.14 4.57 1.90 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 1.49 0.62 0.94 0.00 0.00 10 P 0.00 4.61 0.00 2.18 2.31 0.00 3.85 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 2.02 2.03 0.00 11 R 8.60 4.24 0.00 1.91 1.87 0.00 3.16 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 12 N 8.03 4.21 0.00 2.77 3.15 0.00 0.00 6.69 6.68 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 13 K 8.12 4.65 0.00 1.75 1.59 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.22 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.36 7.81 14 R 8.27 4.97 0.00 2.13 2.17 0.00 3.15 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 15 V 8.65 3.59 2.08 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 1.00 0.00 0.00 0.98 0.00 0.00 16 D 7.91 4.44 0.00 2.82 2.79 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 0.00 0.00 0.00 17 V 7.94 3.84 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 1.01 0.00 0.00 0.86 0.00 0.00 18 A 7.28 3.75 1.32 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 0.00 0.00 19 L 7.87 4.09 0.00 1.68 1.84 0.99 0.93 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 20 T 7.49 4.38 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 1.32 0.00 0.00 21 Y 7.64 4.69 0.00 3.13 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 22 I 8.34 5.61 2.16 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 2.17 1.15 0.00 0.00 23 Y 8.69 4.12 0.00 3.09 2.87 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 24 G 8.66 4.10 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 0.00 25 I 7.95 4.27 2.10 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 1.35 0.85 0.98 0.00 0.00 26 G 8.14 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.73 3.83 0.00 1.83 1.83 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.52 7.81 28 A 7.48 4.11 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 29 R 8.24 4.07 0.00 1.71 2.03 0.00 2.30 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.21 0.00 30 A 7.85 4.27 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 31 K 8.48 4.21 0.00 1.80 1.87 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.52 7.81 32 E 8.37 4.49 0.00 2.28 2.08 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 2.36 2.64 0.00 33 A 8.04 4.38 1.74 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 34 L 8.06 4.46 0.00 1.71 1.70 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.00 4.05 0.00 2.19 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 2.51 2.26 0.00 36 K 7.67 3.85 0.00 0.79 1.00 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.26 1.26 7.81 37 T 7.15 4.09 4.16 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 1.11 0.00 0.00 38 G 8.13 3.77 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 0.00 0.00 0.00 39 I 7.06 4.32 1.85 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 1.28 0.67 0.95 0.00 0.00 40 N 8.94 4.17 0.00 2.78 2.75 0.00 0.00 7.15 7.71 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 41 P 0.00 4.16 0.00 2.07 2.11 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 42 A 8.21 4.07 1.32 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 0.00 0.00 43 T 7.70 4.26 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 1.28 0.00 0.00 44 R 8.11 5.06 0.00 1.76 1.82 0.00 3.36 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 45 V 8.77 3.73 2.08 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 0.98 0.00 0.00 0.96 0.00 0.00 46 K 8.19 4.16 0.00 1.91 1.90 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.44 7.81 47 D 7.93 4.50 0.00 2.71 2.66 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 48 L 8.30 4.58 0.00 2.11 1.63 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.90 3.99 4.33 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 1.22 0.00 0.00 50 E 8.72 4.08 0.00 1.98 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 2.40 2.32 0.00 51 A 7.87 3.95 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.17 4.02 0.00 2.23 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 2.40 2.39 0.00 53 V 7.75 3.68 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 1.01 0.00 0.00 1.06 0.00 0.00 54 V 7.96 3.62 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 0.94 0.00 0.00 1.02 0.00 0.00 55 R 9.20 3.88 0.00 1.85 2.01 0.00 3.11 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 56 L 8.76 4.02 0.00 1.85 1.81 0.98 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 R 9.58 3.93 0.00 2.02 2.08 0.00 3.18 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 58 E 10.07 4.05 0.00 2.23 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 2.44 2.48 0.00 59 Y 8.28 3.98 0.00 3.05 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 60 V 8.47 3.56 2.30 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 1.09 0.00 0.00 1.13 0.00 0.00 61 E 8.90 3.87 0.00 2.00 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 2.34 2.38 0.00 62 N 7.59 4.65 0.00 2.79 2.77 0.00 0.00 6.98 6.84 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 63 T 8.28 3.41 2.81 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 -0.24 0.00 0.00 64 W 6.90 5.08 0.00 3.09 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 65 K 8.28 4.82 0.00 1.81 1.76 0.00 2.03 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.63 7.81 66 L 9.05 4.58 0.00 1.63 1.63 1.14 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.77 3.30 0.00 2.22 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 2.31 2.42 0.00 68 G 9.10 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.62 4.65 0.00 1.98 1.78 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 2.26 2.32 0.00 70 L 8.26 4.54 0.00 2.12 1.94 1.07 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.01 3.36 0.00 1.03 1.63 0.00 2.95 0.00 0.00 2.82 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 72 A 8.56 3.91 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 73 E 8.95 4.35 0.00 2.04 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 2.26 2.31 0.00 74 V 7.75 3.53 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 0.95 0.00 0.00 1.05 0.00 0.00 75 A 7.65 4.27 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 76 A 7.23 3.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.87 4.24 0.00 2.72 2.91 0.00 0.00 7.09 7.94 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 78 I 7.16 3.92 2.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.70 0.84 0.00 0.00 79 K 7.90 4.08 0.00 1.86 1.87 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.76 7.81 80 R 8.04 4.10 0.00 1.88 2.15 0.00 3.19 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 1.71 1.74 0.00 81 L 7.58 4.26 0.00 1.88 1.68 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 82 M 7.84 4.69 0.00 2.31 2.13 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 2.51 2.59 0.00 83 D 7.58 4.93 0.00 2.81 2.46 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 84 I 8.40 3.68 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.81 0.92 0.00 0.00 85 G 9.57 4.12 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 0.00 86 C 8.07 4.18 0.00 3.16 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 87 Y 8.79 4.11 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 88 R 8.11 3.78 0.00 1.84 1.93 0.00 3.30 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 89 G 8.37 3.78 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 0.00 0.00 0.00 90 L 7.20 4.45 0.00 1.43 1.52 0.89 0.92 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 91 R 8.60 3.32 0.00 1.78 2.08 0.00 2.91 0.00 0.00 2.44 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.00 0.00 92 H 8.73 4.73 0.00 3.40 3.24 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.68 4.05 0.00 1.79 2.00 0.00 3.28 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 94 R 7.41 4.35 0.00 1.70 1.85 0.00 3.24 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 95 G 7.15 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 96 L 9.63 4.52 0.00 1.55 1.51 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.47 0.00 2.30 2.06 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 98 V 8.11 4.21 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 0.71 0.00 0.00 0.69 0.00 0.00 99 R 7.15 4.53 0.00 1.78 1.85 0.00 3.42 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 100 G 8.57 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 0.00 101 Q 7.91 4.48 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.57 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 102 R 8.31 4.33 0.00 1.84 1.90 0.00 3.29 0.00 0.00 3.39 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 103 T 7.66 4.15 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 1.23 0.00 0.00 104 R 7.81 4.28 0.00 1.79 1.99 0.00 3.18 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 105 T 7.15 4.40 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 1.21 0.00 0.00 106 N 7.70 4.57 0.00 2.72 2.84 0.00 0.00 7.02 7.35 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 0.00 107 A 8.94 4.12 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 0.00 108 R 8.11 4.18 0.00 1.79 1.98 0.00 3.25 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 109 T 8.31 4.27 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 1.21 0.00 0.00 110 R 7.79 4.49 0.00 1.79 1.93 0.00 3.23 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 111 K 7.68 4.43 0.00 1.65 1.81 0.00 1.93 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.43 7.81 112 G 8.49 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.37 0.00 2.05 2.02 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 114 R 8.39 3.93 0.00 1.79 1.89 0.00 3.17 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 115 K 8.59 4.48 0.00 1.70 1.81 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.48 7.81 116 T 8.48 3.17 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 1.21 0.00 0.00 117 V 8.79 3.38 2.08 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 0.73 0.00 0.00 1.01 0.00 0.00 118 A 7.77 4.26 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 0.00 119 G 8.30 4.01 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 0.00 0.00 0.00 120 K 8.35 3.95 0.00 1.76 1.81 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.42 7.81 121 K 8.33 4.66 0.00 1.68 1.65 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.24 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.61 7.81 122 K 8.43 4.50 0.00 1.72 1.73 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.40 7.81 123 A 8.16 4.76 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 0.00 124 P 0.00 4.42 0.00 2.19 2.18 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 125 R 7.68 4.12 0.00 1.82 1.93 0.00 3.24 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 *126 K 8.35 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.