NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2967 8.2644 123.5834 52.2524 19.7860 179.5095 5 D 4.6261 8.8737 115.9642 52.9836 39.8284 172.5694 6 M 3.9116 8.0591 123.1242 56.7053 34.0531 177.0203 7 E 3.6044 7.9396 115.6413 57.7206 26.6051 176.7453 8 V 4.3628 7.6251 121.0871 60.9416 32.6967 178.1217 9 I 4.1151 8.4839 128.8280 58.6502 35.8674 172.5165 10 E 4.2956 8.7228 128.8582 55.1969 28.5716 176.9251 11 L 4.2013 8.1626 126.0443 52.5062 39.5112 175.3872 12 N 4.4723 8.6093 123.0404 54.4338 39.8844 172.9253 13 K 4.8072 8.3859 125.1650 54.6954 34.9272 173.9783 14 C 4.9161 8.1867 123.4721 57.5276 35.1086 173.5533 15 T 4.0963 8.5561 115.3757 64.4985 66.9085 174.6944 16 S 4.8515 7.8235 114.1563 57.2617 64.2109 173.8692 17 G 3.8199 7.2924 110.4012 47.3164 0.0000 172.3830 18 Q 5.6332 8.1025 135.0000 57.1828 31.4387 174.9641 19 S 5.0107 8.3021 125.7775 57.2588 65.3943 169.6098 20 F 4.9937 7.5712 111.4362 57.0492 39.9636 172.9062 21 E 4.6809 8.7221 118.2691 54.5919 32.3793 175.7955 22 V 4.7222 8.3489 125.1109 59.9755 30.7076 174.2053 23 I 3.7532 7.9000 123.4153 61.0782 36.0657 175.5557 24 L 4.5356 8.8113 129.5880 55.4929 43.4043 177.3536 25 K 4.6758 7.5707 117.2267 51.7171 35.4973 175.4725 26 P 4.2098 0.0000 0.0000 61.4772 32.0008 174.3701 27 P 4.2043 0.0000 0.0000 65.6456 31.5271 175.0072 28 S 3.7820 7.9885 114.5052 56.8558 60.3658 171.6134 *29 F 4.7976 7.1074 130.0582 56.9487 40.3692 177.6565 30 D 4.3251 8.3028 114.7711 53.6003 42.4458 173.7994 *45 P 4.1869 0.0000 0.0000 62.4661 31.3386 176.9319 46 S 4.0292 8.7739 122.8086 59.5412 62.3287 170.1552 47 L 3.7291 7.9725 127.3727 53.5857 40.5167 176.9335 48 E 3.8631 9.4971 124.9678 59.4836 29.7013 180.8119 49 E 3.0266 7.0372 118.3388 58.4880 32.7679 176.4893 50 I 4.2421 7.2550 126.8805 60.1775 34.0615 178.1428 51 Q 4.6140 8.2421 122.7535 57.0005 30.6464 176.6230 52 K 4.4147 7.6277 118.1580 55.0429 31.3989 182.0312 53 K 4.5018 7.8210 121.1214 57.8146 34.3511 177.6453 54 L 4.1565 7.9233 118.7331 56.1630 42.1609 176.4771 55 E 4.5526 8.0283 114.3901 56.1630 30.5025 176.9052 56 A 4.1695 7.7247 121.1761 53.3870 19.1710 178.6889 57 A 4.2121 7.6707 119.1488 54.2155 18.8125 178.9676 58 E 4.0838 8.1158 117.1547 58.7401 29.5845 178.4287 59 E 4.0038 7.4145 118.0954 59.3770 29.7853 179.0074 60 R 4.1993 7.5745 117.4545 59.0843 30.0710 178.9999 61 R 3.8752 7.7591 117.4815 59.2371 30.1285 178.2926 62 K 3.8268 7.9727 118.2603 58.8675 32.6448 176.2025 63 Y 4.6848 8.2829 118.2203 60.0721 39.8369 176.8549 64 Q 3.7012 7.9878 116.1159 57.4437 29.0090 176.5619 65 E 4.2994 7.8838 120.9063 57.5907 30.1569 176.1725 66 A 4.5611 7.4201 119.6770 52.3056 18.3972 176.5811 67 E 4.2946 7.9969 120.7908 59.8457 31.2994 181.3924 68 L 4.5315 7.5778 117.7114 53.4901 40.4233 179.4376 69 L 4.6102 9.1523 122.0843 56.4223 45.8288 176.9455 70 K 4.3577 7.8961 116.8149 56.5187 31.9662 175.7811 71 H 5.0363 8.1833 111.5475 55.3099 29.5049 174.4561 72 L 4.5719 7.5972 120.4477 55.4191 43.9165 177.8436 73 A 4.3272 7.8731 117.5103 53.2288 18.5603 178.7054 74 E 4.1708 8.0127 117.6971 58.6847 29.6429 178.2228 75 K 3.8466 8.0803 119.0921 59.6796 31.9611 178.5639 76 R 4.2157 7.8597 118.4978 59.0328 29.8193 177.8415 77 E 4.4857 7.8901 115.7663 57.0532 29.8525 177.0034 78 H 4.9609 8.5130 121.0820 57.3349 32.4225 175.6248 79 E 4.0198 8.0384 121.8470 60.2316 28.9633 180.1856 80 R 3.9519 8.0073 119.9407 61.3249 29.1211 180.4318 81 E 4.0903 7.9704 119.5555 60.1621 30.0424 179.9283 82 V 3.7838 8.5398 122.8189 66.8623 30.4618 180.7122 83 I 4.0466 7.9444 121.7855 64.5058 35.0958 178.9710 84 Q 4.3982 7.6212 118.3735 56.7727 28.7771 178.3607 85 K 3.9510 8.3872 127.3759 60.0714 32.0470 183.6517 86 A 4.1604 7.9614 121.9704 55.1292 18.1472 179.6941 87 I 3.8251 7.4647 120.7587 65.0415 35.8387 179.0113 88 E 4.1051 8.1597 118.7356 59.6558 29.1694 179.8938 89 E 4.4526 8.4192 114.2322 56.8523 30.5658 177.2097 90 N 4.2588 8.2109 118.7143 56.3916 38.8457 176.3592 91 N 4.3554 8.4551 118.1782 56.2246 38.0656 176.7054 92 N 4.4264 7.6712 118.4260 56.1321 39.0554 176.9393 93 F 4.3244 7.8017 122.0705 62.0064 39.5317 176.5592 94 I 3.7771 7.9123 122.4761 64.7395 36.4965 178.3657 95 K 4.3582 7.9034 121.7337 57.7891 31.8611 178.5768 96 M 4.7697 7.8727 117.1377 57.2062 33.8818 177.6082 97 A 4.4442 8.1827 119.4889 52.0600 19.6035 178.0878 98 K 4.1268 8.6922 122.5050 60.0219 32.5220 178.3879 99 E 4.2397 8.0203 117.0336 57.8101 30.0999 178.4870 100 K 4.2315 7.8070 120.6331 56.0719 32.2596 183.0081 101 L 4.5408 7.7979 117.5821 57.4933 43.2496 177.8902 102 A 4.2796 8.0732 121.6147 54.4563 18.1401 178.7979 103 Q 4.6170 7.3979 116.2451 56.5409 28.9002 181.1913 104 K 4.6831 8.0994 119.6761 57.2442 32.9700 175.8919 105 M 4.5576 7.8149 116.4291 56.0377 34.0794 176.2444 106 E 4.3981 7.6442 116.4303 56.7917 30.1006 177.2852 107 S 4.5330 7.7873 116.9551 60.3025 63.7606 175.6949 108 N 4.2717 7.9423 119.3876 56.3485 38.9451 176.3536 109 K 3.8600 8.2578 123.3565 60.5753 31.9610 179.2242 110 E 4.0563 8.1443 117.6320 61.1065 29.7562 180.3595 111 N 4.5083 7.9691 116.4448 56.4507 38.7879 177.5965 112 R 3.9819 8.3148 120.0832 59.4191 30.1748 178.4263 113 E 3.9636 8.1001 117.9252 59.4518 29.4709 179.2177 114 A 4.0595 7.6735 120.3703 55.1888 18.2054 179.1802 115 H 4.2676 8.0674 118.3699 59.7017 30.3298 177.6128 116 L 4.2643 8.2029 123.8691 58.2734 41.2427 181.0868 117 A 4.6721 8.1941 118.5380 52.5960 18.9521 178.0775 118 A 4.5373 8.1917 119.3691 52.5337 18.4108 178.0894 119 M 4.2189 7.4851 113.4160 55.6752 31.7167 177.2196 120 L 4.3283 7.3807 121.2658 57.2058 43.2372 177.2980 121 E 3.8276 7.5514 115.7146 58.0994 29.2812 178.2590 122 R 4.0387 7.5770 118.6748 59.6829 30.2659 177.8367 123 L 3.9010 7.2474 118.1733 58.0143 42.2521 178.7008 124 Q 4.0470 8.9371 118.8814 58.8851 28.3849 178.3647 125 E 4.2854 7.6894 118.9894 58.0785 29.7055 177.8456 126 K 4.4748 7.4826 115.8556 56.5740 32.5468 176.7811 127 D 4.9428 7.8137 122.3975 55.5133 42.4866 178.1355 128 K 4.3678 8.3395 121.9619 57.6705 32.0271 181.6357 129 H 4.7354 8.0676 119.0284 59.7877 30.1823 176.8195 130 A 3.9700 8.0078 124.5717 55.8053 17.4704 179.9253 131 E 4.0548 8.2494 118.8567 60.7989 29.4954 180.7117 132 E 4.6495 7.6721 114.1831 58.1376 30.6814 180.9578 133 V 4.5437 7.3064 115.5490 62.7557 33.5805 176.7270 134 R 4.1834 8.5146 121.9957 60.3402 29.8995 178.5261 135 K 4.1820 7.2878 121.9514 58.7753 31.6936 179.5689 136 N 4.7614 8.0741 117.1775 57.1039 39.4294 177.1435 137 K 4.3031 8.4884 128.3350 60.0808 31.7860 183.9846 138 E 4.5257 7.9838 114.4461 56.8857 29.3125 179.3542 139 L 4.8830 7.7630 117.7531 55.5479 43.5149 182.3499 140 K 4.7121 8.1214 122.3034 54.8413 33.2786 180.8750 141 E 4.3757 8.0999 120.2600 55.6837 30.2052 176.9854 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 4 A 8.26 4.30 1.07 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 0.00 0.00 5 D 8.87 4.63 0.00 2.71 2.58 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 6 M 8.06 3.91 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 7 E 7.94 3.60 0.00 2.08 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 2.15 1.85 0.00 8 V 7.63 4.36 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 0.85 0.00 0.00 0.93 0.00 0.00 9 I 8.48 4.12 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 1.23 0.56 0.91 0.00 0.00 10 E 8.72 4.30 0.00 1.88 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 2.28 2.50 0.00 11 L 8.16 4.20 0.00 1.75 1.72 0.91 0.90 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 12 N 8.61 4.47 0.00 2.81 3.17 0.00 0.00 6.46 7.34 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 13 K 8.39 4.81 0.00 1.73 1.64 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.40 7.81 14 C 8.19 4.92 0.00 2.92 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 15 T 8.56 4.10 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 1.21 0.00 0.00 16 S 7.82 4.85 0.00 3.96 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 17 G 7.29 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 0.00 0.00 0.00 18 Q 8.10 5.63 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.17 0.00 19 S 8.30 5.01 0.00 3.40 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 0.00 20 F 7.57 4.99 0.00 2.93 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 21 E 8.72 4.68 0.00 2.03 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 2.20 2.24 0.00 22 V 8.35 4.72 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 0.84 0.00 0.00 1.02 0.00 0.00 23 I 7.90 3.75 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 1.30 0.69 0.91 0.00 0.00 24 L 8.81 4.54 0.00 1.73 1.70 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.57 4.68 0.00 1.75 1.49 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.24 1.01 7.81 26 P 0.00 4.21 0.00 2.03 2.05 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 27 P 0.00 4.20 0.00 2.04 2.14 0.00 3.77 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 2.04 2.12 0.00 28 S 7.99 3.78 0.00 4.01 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 *29 F 7.11 4.80 0.00 2.41 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 0.00 0.00 0.00 30 D 8.30 4.33 0.00 2.62 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 *45 P 0.00 4.19 0.00 2.06 2.11 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 46 S 8.77 4.03 0.00 3.62 3.81 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 0.00 47 L 7.97 3.73 0.00 1.83 1.60 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.50 3.86 0.00 1.90 1.99 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 2.29 2.35 0.00 49 E 7.04 3.03 0.00 2.14 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 2.34 2.39 0.00 50 I 7.25 4.24 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 0.80 0.91 0.00 0.00 51 Q 8.24 4.61 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 7.16 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 52 K 7.63 4.41 0.00 1.92 1.72 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.24 7.81 53 K 7.82 4.50 0.00 1.72 1.74 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.39 7.81 54 L 7.92 4.16 0.00 1.63 1.67 0.92 0.85 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 55 E 8.03 4.55 0.00 2.15 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 2.41 2.21 0.00 56 A 7.72 4.17 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 57 A 7.67 4.21 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 58 E 8.12 4.08 0.00 2.06 1.96 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 2.39 2.40 0.00 59 E 7.41 4.00 0.00 1.88 1.99 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 2.34 2.47 0.00 60 R 7.57 4.20 0.00 2.01 2.04 0.00 3.17 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 61 R 7.76 3.88 0.00 1.93 1.92 0.00 3.13 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 62 K 7.97 3.83 0.00 2.08 1.91 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.50 7.81 63 Y 8.28 4.68 0.00 3.00 3.19 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 0.00 0.00 0.00 64 Q 7.99 3.70 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.30 0.00 65 E 7.88 4.30 0.00 1.98 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 0.00 2.28 2.28 0.00 66 A 7.42 4.56 1.39 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 67 E 8.00 4.29 0.00 1.57 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.78 0.00 68 L 7.58 4.53 0.00 1.70 1.54 0.92 0.74 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 69 L 9.15 4.61 0.00 1.64 1.55 0.91 0.26 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 70 K 7.90 4.36 0.00 1.72 1.71 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.44 7.81 71 H 8.18 5.04 0.00 3.17 3.22 0.00 5.71 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.60 4.57 0.00 1.75 1.65 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.87 4.33 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 74 E 8.01 4.17 0.00 1.94 1.99 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 2.37 2.37 0.00 75 K 8.08 3.85 0.00 1.86 1.84 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.60 7.81 76 R 7.86 4.22 0.00 2.20 1.90 0.00 3.20 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 77 E 7.89 4.49 0.00 2.24 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 2.35 2.46 0.00 78 H 8.51 4.96 0.00 3.11 3.47 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 79 E 8.04 4.02 0.00 2.42 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 2.32 2.32 0.00 80 R 8.01 3.95 0.00 1.81 1.95 0.00 3.25 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 81 E 7.97 4.09 0.00 1.94 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 2.33 2.37 0.00 82 V 8.54 3.78 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 0.77 0.00 0.00 0.93 0.00 0.00 83 I 7.94 4.05 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 1.58 0.53 0.91 0.00 0.00 84 Q 7.62 4.40 0.00 2.14 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.34 0.00 85 K 8.39 3.95 0.00 1.73 1.84 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.32 7.81 86 A 7.96 4.16 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 87 I 7.46 3.83 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 1.39 0.60 0.92 0.00 0.00 88 E 8.16 4.11 0.00 1.95 1.96 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 2.24 2.18 0.00 89 E 8.42 4.45 0.00 2.14 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 2.34 2.24 0.00 90 N 8.21 4.26 0.00 2.98 2.88 0.00 0.00 7.09 6.77 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 91 N 8.46 4.36 0.00 2.98 2.88 0.00 0.00 6.60 7.30 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 92 N 7.67 4.43 0.00 3.12 2.98 0.00 0.00 6.73 7.59 0.00 0.00 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 F 7.80 4.32 0.00 3.02 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 94 I 7.91 3.78 1.91 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 0.43 0.95 0.00 0.00 95 K 7.90 4.36 0.00 1.86 1.69 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.31 7.81 96 M 7.87 4.77 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 97 A 8.18 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.69 4.13 0.00 1.68 1.82 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.47 7.81 99 E 8.02 4.24 0.00 2.13 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 0.00 2.33 2.23 0.00 100 K 7.81 4.23 0.00 1.84 1.76 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.25 7.81 101 L 7.80 4.54 0.00 1.63 1.83 0.88 1.30 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 0.00 102 A 8.07 4.28 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 7.40 4.62 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.86 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 104 K 8.10 4.68 0.00 1.71 1.93 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.32 7.81 105 M 7.81 4.56 0.00 2.04 2.10 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 2.54 2.50 0.00 106 E 7.64 4.40 0.00 1.90 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 2.29 2.41 0.00 107 S 7.79 4.53 0.00 3.85 3.88 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 0.00 108 N 7.94 4.27 0.00 2.75 2.93 0.00 0.00 6.82 7.03 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 0.00 109 K 8.26 3.86 0.00 1.93 1.88 0.00 1.69 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.48 7.81 110 E 8.14 4.06 0.00 2.01 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 2.31 1.97 0.00 111 N 7.97 4.51 0.00 3.12 2.89 0.00 0.00 6.59 7.17 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 0.00 112 R 8.31 3.98 0.00 1.88 2.08 0.00 3.10 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 113 E 8.10 3.96 0.00 2.18 1.99 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 2.33 2.50 0.00 114 A 7.67 4.06 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 0.00 115 H 8.07 4.27 0.00 3.30 3.50 0.00 5.75 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.20 4.26 0.00 1.70 1.65 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.19 4.67 1.39 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 0.00 118 A 8.19 4.54 1.44 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 0.00 119 M 7.49 4.22 0.00 2.65 2.33 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 120 L 7.38 4.33 0.00 1.93 1.67 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.55 3.83 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 2.32 2.32 0.00 122 R 7.58 4.04 0.00 2.21 1.90 0.00 3.14 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 123 L 7.25 3.90 0.00 2.03 1.63 0.92 0.65 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 0.00 124 Q 8.94 4.05 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 E 7.69 4.29 0.00 1.98 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 2.32 2.49 0.00 126 K 7.48 4.47 0.00 1.77 1.82 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.44 7.81 127 D 7.81 4.94 0.00 2.78 2.67 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 0.00 128 K 8.34 4.37 0.00 1.81 1.70 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.31 7.81 129 H 8.07 4.74 0.00 3.33 3.40 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.01 3.97 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 0.00 131 E 8.25 4.05 0.00 1.98 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 2.24 2.20 0.00 132 E 7.67 4.65 0.00 2.07 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 2.16 2.15 0.00 133 V 7.31 4.54 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 0.88 0.00 0.00 0.92 0.00 0.00 134 R 8.51 4.18 0.00 2.07 1.87 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 135 K 7.29 4.18 0.00 2.09 1.72 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.33 7.81 136 N 8.07 4.76 0.00 2.68 3.04 0.00 0.00 6.92 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 0.00 137 K 8.49 4.30 0.00 1.75 1.79 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.32 7.81 138 E 7.98 4.53 0.00 1.98 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 2.23 1.87 0.00 139 L 7.76 4.88 0.00 1.59 1.48 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.12 4.71 0.00 1.75 1.58 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.29 1.25 7.81 141 E 8.10 4.38 0.00 1.95 1.71 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 2.13 1.83 0.00 * Residues marked with a * may have inaccurate shift predictions.