NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2037 8.2531 123.5814 50.5038 20.6015 176.8839 3 G 3.7036 8.1719 102.5245 46.3191 0.0000 172.0924 4 D 4.5059 8.8710 120.0647 54.0225 42.7426 174.6053 5 T 4.5176 8.3070 118.3998 62.8220 69.6559 174.5544 6 T 4.9918 8.3613 116.9044 60.7587 71.4133 173.6121 7 I 4.5870 8.4430 120.5830 60.2363 42.0180 173.1004 8 T 5.1350 8.4807 123.5757 61.7563 70.9965 173.3121 9 I 4.5880 9.1555 126.3575 59.1114 41.3974 173.8388 10 V 4.6997 8.1895 128.7357 61.2242 33.6030 175.3766 11 G 3.9626 7.6579 113.7321 45.8199 0.0000 170.7985 12 N 5.5683 7.9492 116.2898 50.9556 42.0871 174.5939 13 L 4.7260 8.6784 123.7197 55.4228 42.1984 178.3042 14 T 4.4699 8.8360 114.0263 63.7578 69.3740 174.1133 15 A 4.4952 7.7781 122.6518 50.9375 21.9015 175.3015 16 D 4.4165 8.6739 119.2687 54.2621 41.3164 175.4744 17 P 4.3644 0.0000 0.0000 63.3274 32.3063 175.6258 18 E 4.3702 8.9514 124.2558 55.2427 30.6261 174.8813 19 L 4.7635 8.3379 127.3514 53.8540 43.4405 175.7605 20 R 4.6621 8.5726 123.7635 54.7916 35.2084 173.7140 21 F 5.3121 8.5883 119.7026 55.8525 41.8105 175.9087 22 T 4.3789 9.0022 114.1494 60.7928 69.9716 175.5120 23 S 4.1659 8.7265 117.1762 61.7635 62.7315 176.2500 24 S 4.2549 7.6759 111.8589 59.3688 63.0749 175.1567 25 G 4.0062 8.2917 109.5811 44.9165 0.0000 173.8179 26 A 4.1923 7.8835 123.7656 52.0978 19.1116 176.7286 27 A 4.3728 8.7613 125.3010 51.7119 20.0515 176.6370 28 V 4.1032 8.8443 121.1817 59.5851 34.8761 174.6118 29 V 4.7671 8.4253 124.0797 61.0373 34.7170 173.8289 30 N 5.5411 8.6265 124.0860 51.6848 42.3597 173.2976 31 F 5.1149 7.9666 115.6038 56.5013 42.2341 172.6576 32 T 5.0529 8.6330 115.4239 61.8079 71.6965 173.2824 33 V 4.5866 9.0217 126.8395 61.6854 33.3533 174.4185 34 A 4.2842 9.0043 131.1738 50.6670 20.3287 175.5154 35 S 4.7921 8.9848 118.7399 57.3172 64.4509 173.0412 36 T 4.8595 8.3535 118.4387 59.1527 69.8128 172.4157 37 P 4.5083 0.0000 0.0000 62.6727 33.3216 175.4849 38 R 4.8657 8.4831 122.4995 55.7829 31.1298 176.9621 39 I 4.7743 9.3256 124.9190 59.8811 39.7916 171.5211 *43 Q 4.0001 8.7345 125.1896 55.2790 28.2897 174.3380 44 S 4.4517 8.0962 120.4210 58.3520 66.4216 174.5570 45 G 4.0170 8.4940 119.1626 45.9108 0.0000 174.5238 46 E 4.4844 9.0320 121.8830 53.5951 28.3866 176.4874 *47 W 4.3541 7.1912 123.8117 54.7750 31.2579 176.9029 48 K 4.3264 7.2068 119.5027 54.5409 35.8925 177.0738 49 D 4.6465 9.2648 125.9457 54.2669 41.2374 177.2543 50 G 3.9996 9.2135 111.9157 45.0285 0.0000 172.8185 51 E 4.3519 8.5941 119.4407 56.1268 29.8037 177.5625 52 A 4.3053 8.7121 126.0650 51.8716 19.6970 176.0929 53 L 4.6333 8.8325 122.8969 53.3456 44.4781 175.1887 54 F 5.2018 8.9779 124.5920 55.8657 41.1121 174.6436 55 L 4.8074 8.7451 124.4859 52.5804 44.6350 176.1968 56 R 4.4847 8.6216 124.5192 56.4200 31.5381 174.7258 57 C 5.1249 9.1539 123.8166 57.8259 32.0639 172.5930 58 N 5.2833 8.9619 119.2765 51.5087 41.6987 173.4241 59 I 5.0530 8.4706 122.0353 59.3186 42.3868 173.6287 60 W 5.1452 8.5547 125.4880 54.9534 33.3139 176.4778 61 R 3.8147 9.4692 120.2118 57.5378 28.6900 179.2275 62 E 3.9829 9.0160 120.8815 60.5481 29.3884 178.5065 63 A 3.9730 8.1274 120.0352 55.1002 18.3754 179.3202 64 A 3.9337 7.9076 118.9667 55.4301 18.4405 179.7395 65 E 3.8859 8.4178 117.2112 59.6135 29.4162 179.1079 66 N 4.2747 8.8421 116.9307 56.5459 38.5430 177.6254 67 V 3.5061 7.8604 119.1255 65.9239 31.4335 177.9729 68 A 3.9360 7.9858 119.5919 55.2236 18.2457 179.2068 69 E 4.0680 8.3455 116.3993 58.7666 29.5644 178.6361 70 S 4.5537 7.5907 113.8007 57.9552 64.6277 174.3375 71 L 4.7206 7.3948 120.1113 52.9979 43.9755 175.2594 72 T 4.7297 7.7481 109.8394 59.2308 72.1567 172.8422 73 R 4.0686 9.2938 122.3723 58.3895 30.0624 176.6834 74 G 3.9353 9.2107 113.8449 44.8836 0.0000 173.4576 75 A 4.1206 7.7583 122.8935 51.8936 19.7452 176.8080 76 R 4.5905 8.6300 123.0507 56.2923 31.4953 175.6569 77 V 4.9901 9.1565 119.0592 59.6710 36.7105 174.3095 78 I 4.8951 8.6454 123.3130 59.6090 40.0297 174.9466 79 V 5.0295 8.9263 126.8070 61.2369 34.7709 174.1643 80 T 5.0052 8.8463 118.0892 60.3300 71.8616 174.1932 81 G 3.9326 8.0015 107.9221 46.6398 0.0000 171.5582 82 R 5.2999 8.4096 119.1914 54.1710 33.4670 175.5074 83 L 4.6718 8.8546 124.3271 54.6718 42.4263 176.7389 84 K 4.6870 9.3966 122.7954 54.6086 36.4959 174.8310 85 Q 4.9124 8.6911 124.7610 54.6861 30.6226 174.4700 86 R 4.6515 9.2652 126.6330 54.7651 33.0470 174.9061 87 S 5.3424 8.7071 124.0770 57.2715 65.4103 173.6835 *89 E 4.1468 8.3342 117.8537 59.0272 30.4852 173.9509 90 T 4.1886 7.6670 113.7654 63.1450 72.6038 169.6827 91 R 4.8534 7.5576 119.5543 54.0381 31.3248 174.4793 92 E 4.6935 8.0701 114.1636 56.1535 37.3391 175.9900 93 G 4.2056 8.6086 108.5894 45.5483 0.0000 172.6339 94 E 3.7536 7.8723 120.8405 56.4548 28.8806 176.8914 95 K 4.3078 8.5576 128.9505 56.2147 32.1365 176.2526 96 R 4.7410 8.3876 127.8631 55.2148 32.3948 172.4211 97 T 4.7539 8.4292 117.3898 60.5165 69.2634 174.1570 98 V 4.5612 8.6654 125.6981 60.0128 35.2349 174.1321 99 V 4.6073 8.3957 123.0758 62.1526 32.7331 174.5604 100 E 4.8939 9.6021 126.2432 54.7871 34.8065 174.0992 101 V 4.6941 8.5274 120.7077 61.4698 33.8609 174.2715 102 E 4.9032 9.3719 128.4353 54.9947 30.6454 175.7580 103 V 4.0959 8.5967 126.3832 63.3300 31.7702 174.9219 104 D 4.7766 9.2648 128.1968 55.9072 42.2625 176.2582 105 E 4.9062 8.0066 115.4486 54.7514 34.1490 174.3315 106 I 5.1029 8.3248 121.7375 59.8637 41.4126 174.0835 107 G 4.3939 8.8359 114.3095 43.9715 0.0000 170.2835 108 P 4.8484 0.0000 0.0000 62.3894 32.0054 176.1278 109 S 4.1911 8.8963 119.5005 58.0606 63.0224 173.5363 110 L 4.9818 8.1522 124.5174 54.0626 41.8039 177.8189 111 R 3.7782 7.8841 121.4768 59.2377 29.8544 177.2039 112 Y 4.8708 7.5943 110.6391 57.3910 38.9820 174.8352 113 A 4.6974 7.6312 122.1976 51.0337 22.2420 175.9023 114 T 4.8136 8.2020 109.4067 60.0590 71.3360 173.6042 115 A 4.5456 8.0395 122.9083 50.5286 22.0183 175.6721 116 K 4.3704 8.4941 122.2941 54.5252 33.1698 175.7074 117 V 4.0139 8.2015 126.5816 61.7829 32.4552 174.8115 118 N 4.9213 8.4399 123.6741 51.1098 40.5090 174.4849 119 K 4.1329 8.5339 123.0076 55.7685 33.0058 177.2377 120 A 4.1710 8.4839 123.9406 52.6093 18.2789 177.4743 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 4.20 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 3 G 8.17 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.87 4.51 0.00 2.68 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.31 4.52 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 6 T 8.36 4.99 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 7 I 8.44 4.59 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 1.24 1.15 0.95 0.00 0.00 8 T 8.48 5.13 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 9 I 9.16 4.59 1.88 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 1.11 1.71 0.94 0.00 0.00 10 V 8.19 4.70 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 0.83 0.00 0.00 0.92 0.00 0.00 11 G 7.66 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 0.00 0.00 0.00 12 N 7.95 5.57 0.00 2.69 2.81 0.00 0.00 7.46 7.57 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 13 L 8.68 4.73 0.00 1.59 1.78 0.73 0.23 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 14 T 8.84 4.47 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 1.49 0.00 0.00 15 A 7.78 4.50 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 16 D 8.67 4.42 0.00 2.68 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 17 P 0.00 4.36 0.00 1.89 1.95 0.00 3.64 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 2.01 1.94 0.00 18 E 8.95 4.37 0.00 1.91 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 2.28 2.38 0.00 19 L 8.34 4.76 0.00 1.52 1.49 0.38 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.57 4.66 0.00 1.54 1.65 0.00 3.07 0.00 0.00 3.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 21 F 8.59 5.31 0.00 2.90 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 22 T 9.00 4.38 4.39 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 1.51 0.00 0.00 23 S 8.73 4.17 0.00 3.93 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 24 S 7.68 4.25 0.00 4.08 4.04 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 25 G 8.29 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 26 A 7.88 4.19 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 0.00 0.00 27 A 8.76 4.37 1.20 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 28 V 8.84 4.10 0.75 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 0.45 0.00 0.00 -0.24 0.00 0.00 29 V 8.43 4.77 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 1.14 0.00 0.00 0.87 0.00 0.00 30 N 8.63 5.54 0.00 2.65 2.51 0.00 0.00 6.29 8.12 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 31 F 7.97 5.11 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 32 T 8.63 5.05 4.37 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 1.43 0.00 0.00 33 V 9.02 4.59 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 1.03 0.00 0.00 1.18 0.00 0.00 34 A 9.00 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.98 4.79 0.00 3.85 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 36 T 8.35 4.86 4.21 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 1.13 0.00 0.00 37 P 0.00 4.51 0.00 2.13 2.20 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 38 R 8.48 4.87 0.00 1.71 1.93 0.00 3.47 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 39 I 9.33 4.77 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 0.91 1.35 0.91 0.00 0.00 *43 Q 8.73 4.00 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.88 0.00 0.00 0.00 0.00 0.00 2.22 2.45 0.00 44 S 8.10 4.45 0.00 3.83 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 45 G 8.49 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 0.00 0.00 0.00 46 E 9.03 4.48 0.00 1.97 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 2.28 2.30 0.00 *47 W 7.19 4.35 0.00 2.45 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 0.00 0.00 0.00 48 K 7.21 4.33 0.00 1.38 1.64 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.22 0.90 7.81 49 D 9.26 4.65 0.00 2.56 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 50 G 9.21 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.59 4.35 0.00 1.89 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 2.35 2.34 0.00 52 A 8.71 4.31 0.95 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 0.00 0.00 53 L 8.83 4.63 0.00 1.69 1.45 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.98 5.20 0.00 2.91 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.75 4.81 0.00 1.56 1.53 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.62 4.48 0.00 1.91 1.74 0.00 3.11 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.56 0.00 57 C 9.15 5.12 0.00 1.23 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 0.00 0.00 0.00 58 N 8.96 5.28 0.00 2.63 2.59 0.00 0.00 6.38 6.86 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 59 I 8.47 5.05 2.02 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 1.33 1.83 1.10 0.00 0.00 60 W 8.55 5.15 0.00 3.31 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 61 R 9.47 3.81 0.00 2.10 1.74 0.00 3.20 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 62 E 9.02 3.98 0.00 2.02 2.04 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 2.45 2.36 0.00 63 A 8.13 3.97 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 64 A 7.91 3.93 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 65 E 8.42 3.89 0.00 2.19 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 2.41 2.63 0.00 66 N 8.84 4.27 0.00 2.92 2.88 0.00 0.00 6.69 8.33 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 67 V 7.86 3.51 2.20 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 0.86 0.00 0.00 0.91 0.00 0.00 68 A 7.99 3.94 1.27 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 69 E 8.35 4.07 0.00 2.20 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 2.36 2.48 0.00 70 S 7.59 4.55 0.00 3.73 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 71 L 7.39 4.72 0.00 1.43 1.42 0.69 0.89 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 72 T 7.75 4.73 4.35 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 1.19 0.00 0.00 73 R 9.29 4.07 0.00 1.93 1.91 0.00 3.28 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 74 G 9.21 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 75 A 7.76 4.12 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 76 R 8.63 4.59 0.00 1.99 1.84 0.00 3.28 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 77 V 9.16 4.99 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 0.71 0.00 0.00 0.99 0.00 0.00 78 I 8.65 4.90 1.86 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 1.09 0.69 0.91 0.00 0.00 79 V 8.93 5.03 2.15 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 0.93 0.00 0.00 1.06 0.00 0.00 80 T 8.85 5.01 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 1.22 0.00 0.00 81 G 8.00 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.41 5.30 0.00 1.70 1.80 0.00 3.20 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 1.53 1.57 0.00 83 L 8.85 4.67 0.00 1.50 1.61 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 84 K 9.40 4.69 0.00 1.58 1.65 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.51 7.81 85 Q 8.69 4.91 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 86 R 9.27 4.65 0.00 1.84 1.72 0.00 3.15 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 87 S 8.71 5.34 0.00 3.79 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 *89 E 8.33 4.15 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.88 0.00 90 T 7.67 4.19 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 91 R 7.56 4.85 0.00 1.73 1.85 0.00 3.21 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 92 E 8.07 4.69 0.00 1.91 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 2.22 2.29 0.00 93 G 8.61 4.21 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 0.00 0.00 0.00 94 E 7.87 3.75 0.00 1.96 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 2.31 0.00 95 K 8.56 4.31 0.00 1.76 1.76 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.38 7.81 96 R 8.39 4.74 0.00 1.52 1.75 0.00 3.29 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.16 0.00 97 T 8.43 4.75 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 98 V 8.67 4.56 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 0.75 0.00 0.00 0.93 0.00 0.00 99 V 8.40 4.61 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 0.81 0.00 0.00 0.93 0.00 0.00 100 E 9.60 4.89 0.00 1.84 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 2.19 2.21 0.00 101 V 8.53 4.69 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 1.04 0.00 0.00 0.92 0.00 0.00 102 E 9.37 4.90 0.00 1.91 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 2.31 2.43 0.00 103 V 8.60 4.10 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 0.88 0.00 0.00 1.03 0.00 0.00 104 D 9.26 4.78 0.00 2.68 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 0.00 105 E 8.01 4.91 0.00 1.93 1.77 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 2.24 2.40 0.00 106 I 8.32 5.10 1.96 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.88 0.92 0.00 0.00 107 G 8.84 4.39 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 0.00 0.00 0.00 108 P 0.00 4.85 0.00 2.06 2.04 0.00 3.74 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 1.96 1.94 0.00 109 S 8.90 4.19 0.00 3.82 3.76 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 0.00 110 L 8.15 4.98 0.00 1.62 1.62 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.88 3.78 0.00 1.49 1.45 0.00 2.47 0.00 0.00 2.50 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 112 Y 7.59 4.87 0.00 3.00 2.84 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 0.00 0.00 0.00 113 A 7.63 4.70 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 0.00 114 T 8.20 4.81 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 1.22 0.00 0.00 115 A 8.04 4.55 1.20 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 0.00 116 K 8.49 4.37 0.00 1.69 1.71 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.38 7.81 117 V 8.20 4.01 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 0.86 0.00 0.00 0.92 0.00 0.00 118 N 8.44 4.92 0.00 2.70 2.70 0.00 0.00 7.08 7.61 0.00 0.00 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 K 8.53 4.13 0.00 1.75 1.74 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.44 7.81 120 A 8.48 4.17 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 * Residues marked with a * may have inaccurate shift predictions.