NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.1202 8.0932 114.8012 57.7800 64.5008 174.3408 2 L 4.1082 8.4162 120.4840 57.3110 40.9856 178.5392 3 L 4.0164 8.5131 120.8138 57.8386 41.7064 179.1046 4 E 4.0781 8.0073 117.9364 59.3360 29.5786 178.7486 5 F 4.7302 8.4818 120.9179 61.4614 39.4126 177.3856 6 G 3.5416 8.4968 105.4324 47.6936 0.0000 175.5668 7 K 3.9919 7.8689 122.6197 59.2793 32.2590 178.3953 8 M 4.0602 8.3933 118.6255 58.8377 32.0448 178.3057 9 I 3.6101 7.6807 119.7762 64.1507 37.1431 178.1562 10 L 4.6794 7.7817 122.4494 57.8272 41.7231 178.8169 11 E 3.9842 8.2114 117.4128 59.4355 29.4658 179.1154 12 E 4.1099 8.1420 117.5991 59.4069 29.8013 178.7871 13 T 4.3721 8.1267 107.1535 61.1616 70.0723 175.8269 14 G 3.7811 8.2220 110.2792 45.7436 0.0000 173.1492 *16 K 4.5370 7.4142 117.6305 56.1001 33.3605 174.6930 17 L 4.5509 8.0643 120.9816 53.6866 43.0406 177.3541 18 A 4.0369 8.8363 127.0132 55.0813 18.3260 177.0730 19 I 4.6640 7.6510 115.1558 59.4552 38.4110 173.8474 20 P 5.1728 0.0000 0.0000 61.8762 31.5789 176.3658 21 S 4.3091 7.8089 117.1807 61.1104 62.6697 174.8356 22 Y 4.7994 8.3681 115.8650 57.5912 38.6029 176.2405 23 S 4.8838 8.2535 115.2295 58.6746 64.6650 175.0024 24 S 5.0549 7.8051 116.2375 58.0332 63.5942 172.2757 25 Y 4.7426 8.2885 123.0603 58.3281 40.2428 174.9237 26 G 3.2819 8.0375 116.6670 47.2460 0.0000 173.9287 27 C 4.6132 8.9567 116.0704 57.3334 41.3867 174.3543 28 Y 4.3767 8.6426 114.9097 57.6863 39.5013 175.4268 29 C 4.8697 8.6834 118.2003 58.6356 40.1248 171.0720 30 G 4.5621 8.4268 117.1690 44.5443 0.0000 173.2324 31 W 4.0931 9.8229 134.2217 61.1481 30.6578 176.9712 32 G 4.1024 6.8314 103.3029 46.3941 0.0000 175.4856 33 G 4.2977 8.3792 110.5272 45.5971 0.0000 171.9965 34 K 4.5362 7.5006 117.2852 56.4272 35.3235 176.2939 35 G 3.8485 8.4605 108.3008 44.8233 0.0000 172.3309 36 T 4.4393 7.6054 115.0266 61.0972 69.7032 173.4753 37 P 4.6790 0.0000 0.0000 62.6145 32.0140 176.8870 38 K 3.8564 8.9674 122.9393 59.1208 32.3373 176.3889 39 D 4.4990 7.2436 115.4493 51.4156 41.8203 174.8602 40 A 4.0154 8.8570 119.5388 56.1883 18.1420 179.9782 41 T 4.0340 8.0028 113.7112 66.9848 68.6197 176.2752 42 D 4.5967 8.8561 119.9734 57.3499 41.1553 178.5016 43 R 4.0330 8.1329 118.8629 59.1677 30.0140 178.2277 44 C 4.2195 8.2374 116.6325 60.2427 38.5073 175.5448 45 C 4.3752 8.1699 118.3217 59.7297 40.8953 175.8659 46 F 3.7089 8.2737 122.3621 61.2868 38.8740 177.4407 47 V 3.3235 8.0049 117.9465 65.9752 31.2566 177.4695 48 H 3.8100 8.0130 118.1013 59.1607 29.6031 176.9888 49 D 4.1593 8.2052 121.0646 57.5617 40.4144 178.1923 50 C 4.0525 7.5391 115.8696 59.8553 35.1198 175.0197 51 C 4.2624 8.0757 120.3446 59.9593 43.9282 175.2938 52 Y 4.2844 7.8964 118.4446 61.0579 37.1820 178.7704 53 G 3.6517 8.0568 105.9040 47.5436 0.0000 174.5517 54 N 4.7004 7.6855 115.7185 53.3902 40.0219 175.3009 55 L 4.8062 7.5954 120.0330 52.2732 42.0969 174.7995 56 P 4.1848 0.0000 0.0000 65.6749 32.1751 178.5830 *59 D 4.9904 7.8607 117.2114 54.3051 42.4377 175.4166 *61 C 5.2797 7.6977 115.3618 57.3463 40.7045 172.8343 *67 N 5.2669 8.3330 117.0570 52.4201 38.5940 173.3788 68 P 4.0377 0.0000 0.0000 65.1843 31.9027 179.8897 69 K 4.1124 7.9830 118.5609 58.2342 32.2549 178.3305 70 S 4.5576 7.7502 110.6204 58.1490 64.8086 173.5968 71 D 4.3982 8.2772 121.9885 54.0844 41.0464 175.4633 72 R 4.6230 8.6456 125.4803 54.3594 31.5093 175.0194 73 Y 5.0025 7.6729 118.0931 55.1646 41.5169 174.2248 74 K 4.9759 8.5848 118.4946 55.0073 35.3750 175.0486 75 Y 5.4824 8.2218 120.0655 55.6999 41.1480 173.6401 76 K 4.7015 9.5175 120.0908 55.2658 36.8629 174.7242 77 R 5.0189 8.5422 119.1232 54.6626 31.8361 177.4718 78 V 3.9984 8.5494 126.4997 62.0782 30.3378 174.8146 79 N 4.0585 9.0813 124.1769 54.1217 35.1588 174.3780 80 G 4.2216 8.0849 111.7529 45.1952 0.0000 173.4847 81 A 3.9490 7.9841 119.3914 52.1315 19.1516 176.2883 82 I 4.6403 8.2416 123.3907 60.3698 38.5735 175.4597 83 V 4.3732 9.0371 127.4344 61.0290 34.0682 173.8796 84 C 4.9066 8.8679 126.3025 57.0417 40.5999 173.5870 85 E 4.5362 9.0621 124.0130 54.9812 30.9545 176.5728 86 K 3.9790 8.5666 123.5534 56.7757 33.3321 175.4350 *88 G 4.3206 8.3096 115.4342 45.4552 0.0000 172.3778 89 T 4.2654 9.5460 115.3309 61.0419 71.2158 175.8791 90 S 4.1383 8.4475 116.1163 61.7406 62.8771 177.2016 91 C 4.2629 8.0991 119.6518 59.7779 40.0149 175.6402 92 E 3.9610 7.9836 120.0408 59.5180 29.1381 179.2544 93 N 4.2648 8.1704 116.4020 56.4602 38.7667 177.8288 94 R 3.9049 7.8835 119.3613 58.9920 30.0986 179.2487 95 I 3.6290 7.8914 119.9871 64.4293 37.1255 177.4289 96 C 3.1123 7.5710 119.1806 59.5220 39.2962 175.5325 97 E 3.8117 7.8405 119.7329 59.4554 29.0939 178.7713 98 C 4.1657 7.9288 116.1787 60.0928 41.3639 175.9555 99 D 3.9176 8.0116 120.4201 56.9733 40.3981 178.5559 100 K 3.7467 8.3252 120.3718 59.4911 32.0766 178.5550 101 A 3.8524 7.8286 120.5580 55.0818 18.2131 179.4316 102 A 3.4575 7.7144 118.6266 55.0992 18.4332 179.6864 103 A 3.9590 8.0986 119.3148 55.4078 18.3760 180.0114 104 I 3.6762 7.6525 118.3203 64.5415 36.9476 177.8070 105 C 4.2221 7.9742 118.5519 59.5625 37.8227 175.4099 106 F 4.6237 8.1090 119.7573 60.6633 38.3695 177.5455 107 R 3.9412 8.1358 118.3429 59.6046 29.6679 178.3556 108 Q 4.0894 8.4665 118.4148 58.0788 29.2557 176.3255 109 N 5.2048 7.7162 115.8902 52.8818 39.4266 176.3381 110 L 4.1353 7.8598 122.6759 57.8886 41.7870 179.4421 111 N 4.4809 8.2992 114.8805 55.0475 37.3278 175.4729 112 T 4.4937 7.6511 107.0117 61.0241 69.3036 173.7967 113 Y 4.1296 8.0270 125.0976 58.3004 39.3349 174.9299 114 S 4.9289 8.8640 123.3238 56.4647 65.4131 175.3539 115 K 4.1809 8.6288 124.3791 58.1873 32.0117 178.5684 116 K 4.0463 7.6443 117.0222 58.3788 32.9264 176.9490 117 Y 4.5271 7.3156 117.0855 57.9920 38.3152 175.5717 118 M 4.4360 7.5603 120.6897 55.9841 32.6276 175.9501 119 L 4.2350 8.3176 119.0230 55.4320 40.2085 174.5834 120 Y 4.1026 7.3594 118.1605 57.0991 39.2058 174.2419 121 P 4.3457 0.0000 0.0000 62.2969 32.5110 176.6500 122 D 4.2383 8.9054 122.8854 57.2389 41.2566 178.1863 *124 F 4.9466 7.8230 110.9017 56.5079 39.5480 175.3045 125 L 3.8000 6.6329 119.1954 54.9087 41.4567 176.6641 126 C 4.6362 8.0811 118.5018 55.1394 33.5104 172.6255 127 K 4.6359 8.3050 124.6666 54.8531 35.3284 175.9001 128 G 4.1463 9.8210 107.8879 44.8359 0.0000 172.0571 129 E 4.8545 8.1129 115.6945 55.3745 33.4013 174.7667 130 L 4.4270 9.0403 123.8820 53.9314 44.7147 175.6338 131 K 4.3433 8.5474 125.5495 55.8993 33.4715 177.7154 *133 C 4.8554 8.4847 117.1839 57.5426 41.5308 173.9371 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 S 8.09 5.12 0.00 4.18 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 2 L 8.42 4.11 0.00 1.77 1.88 1.25 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.51 4.02 0.00 1.63 1.72 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.01 4.08 0.00 1.79 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 1.80 2.30 0.00 5 F 8.48 4.73 0.00 3.30 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 6 G 8.50 3.54 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 0.00 7 K 7.87 3.99 0.00 1.87 2.13 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.51 7.81 8 M 8.39 4.06 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.50 0.00 9 I 7.68 3.61 1.78 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.19 0.54 0.00 0.00 10 L 7.78 4.68 0.00 1.76 1.85 0.95 0.77 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 11 E 8.21 3.98 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 2.40 2.62 0.00 12 E 8.14 4.11 0.00 2.09 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 2.52 2.45 0.00 13 T 8.13 4.37 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 1.25 0.00 0.00 14 G 8.22 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 *16 K 7.41 4.54 0.00 1.87 1.65 0.00 1.52 0.00 0.00 1.04 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.27 7.81 17 L 8.06 4.55 0.00 1.73 1.68 0.91 0.82 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 18 A 8.84 4.04 1.26 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 0.00 0.00 0.00 19 I 7.65 4.66 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.70 0.95 0.00 0.00 20 P 0.00 5.17 0.00 2.19 2.14 0.00 3.37 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 21 S 7.81 4.31 0.00 3.69 3.29 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 22 Y 8.37 4.80 0.00 2.65 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 23 S 8.25 4.88 0.00 4.10 4.19 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 24 S 7.81 5.05 0.00 4.03 4.11 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 25 Y 8.29 4.74 0.00 3.08 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 26 G 8.04 3.28 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 0.00 27 C 8.96 4.61 0.00 3.04 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 28 Y 8.64 4.38 0.00 3.38 3.16 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 0.00 29 C 8.68 4.87 0.00 3.55 3.56 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 30 G 8.43 4.56 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 0.00 0.00 0.00 31 W 9.82 4.09 0.00 3.18 3.23 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 32 G 6.83 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 33 G 8.38 4.30 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 0.00 34 K 7.50 4.54 0.00 1.88 1.82 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.41 7.81 35 G 8.46 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 36 T 7.61 4.44 4.22 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 1.13 0.00 0.00 37 P 0.00 4.68 0.00 1.93 2.00 0.00 3.47 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 38 K 8.97 3.86 0.00 0.79 0.74 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.93 0.21 7.81 39 D 7.24 4.50 0.00 2.82 2.73 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 0.00 0.00 0.00 40 A 8.86 4.02 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 41 T 8.00 4.03 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 1.04 0.00 0.00 42 D 8.86 4.60 0.00 2.99 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 0.00 43 R 8.13 4.03 0.00 2.13 1.97 0.00 3.14 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.81 0.00 44 C 8.24 4.22 0.00 3.23 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 45 C 8.17 4.38 0.00 3.38 3.52 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 0.00 0.00 0.00 46 F 8.27 3.71 0.00 2.53 3.02 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 47 V 8.00 3.32 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 0.92 0.00 0.00 1.04 0.00 0.00 48 H 8.01 3.81 0.00 3.14 3.30 0.00 5.64 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 49 D 8.21 4.16 0.00 2.77 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 50 C 7.54 4.05 0.00 2.78 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 51 C 8.08 4.26 0.00 2.96 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 52 Y 7.90 4.28 0.00 3.10 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 0.00 53 G 8.06 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 0.00 0.00 0.00 54 N 7.69 4.70 0.00 2.86 2.83 0.00 0.00 6.78 7.42 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 55 L 7.60 4.81 0.00 1.55 1.50 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.18 0.00 2.18 2.28 0.00 3.79 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 *59 D 7.86 4.99 0.00 2.72 2.73 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 0.00 0.00 0.00 *61 C 7.70 5.28 0.00 3.03 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 *67 N 8.33 5.27 0.00 2.80 2.76 0.00 0.00 7.35 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 68 P 0.00 4.04 0.00 0.68 1.38 0.00 3.45 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.11 0.00 69 K 7.98 4.11 0.00 1.82 1.92 0.00 1.62 0.00 0.00 1.91 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.61 1.42 7.81 70 S 7.75 4.56 0.00 3.93 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 71 D 8.28 4.40 0.00 2.71 2.62 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 72 R 8.65 4.62 0.00 1.81 1.75 0.00 3.22 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 73 Y 7.67 5.00 0.00 3.02 2.95 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 74 K 8.58 4.98 0.00 1.75 1.88 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.36 7.81 75 Y 8.22 5.48 0.00 3.09 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 76 K 9.52 4.70 0.00 1.78 1.91 0.00 1.29 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.43 7.81 77 R 8.54 5.02 0.00 1.73 1.94 0.00 3.43 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 78 V 8.55 4.00 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 0.79 0.00 0.00 0.96 0.00 0.00 79 N 9.08 4.06 0.00 2.91 2.89 0.00 0.00 7.46 7.65 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 80 G 8.08 4.22 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 0.00 81 A 7.98 3.95 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 82 I 8.24 4.64 1.83 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 0.62 0.77 0.00 0.00 83 V 9.04 4.37 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 1.05 0.00 0.00 0.96 0.00 0.00 84 C 8.87 4.91 0.00 2.86 2.96 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 85 E 9.06 4.54 0.00 2.07 1.91 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 2.35 2.31 0.00 86 K 8.57 3.98 0.00 1.79 1.71 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.44 7.81 *88 G 8.31 4.32 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 0.00 89 T 9.55 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 1.26 0.00 0.00 90 S 8.45 4.14 0.00 4.05 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 0.00 91 C 8.10 4.26 0.00 2.97 3.14 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 0.00 0.00 0.00 92 E 7.98 3.96 0.00 2.27 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 2.58 2.57 0.00 93 N 8.17 4.26 0.00 2.84 2.81 0.00 0.00 7.07 7.25 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 94 R 7.88 3.90 0.00 1.82 1.91 0.00 3.09 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 95 I 7.89 3.63 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.86 0.97 0.00 0.00 96 C 7.57 3.11 0.00 1.91 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 0.00 97 E 7.84 3.81 0.00 2.10 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 2.41 2.42 0.00 98 C 7.93 4.17 0.00 3.23 2.93 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 99 D 8.01 3.92 0.00 2.78 2.80 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 0.00 100 K 8.33 3.75 0.00 1.67 1.90 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.39 7.81 101 A 7.83 3.85 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 0.00 102 A 7.71 3.46 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 0.00 103 A 8.10 3.96 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 0.00 104 I 7.65 3.68 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.71 0.88 0.00 0.00 105 C 7.97 4.22 0.00 2.91 2.96 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 0.00 106 F 8.11 4.62 0.00 3.09 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.14 3.94 0.00 1.96 2.11 0.00 3.17 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 108 Q 8.47 4.09 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.05 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 109 N 7.72 5.20 0.00 2.89 2.85 0.00 0.00 6.84 7.19 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 0.00 110 L 7.86 4.14 0.00 1.86 1.76 0.91 0.48 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 0.00 111 N 8.30 4.48 0.00 2.87 3.00 0.00 0.00 5.87 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 0.00 112 T 7.65 4.49 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 1.27 0.00 0.00 113 Y 8.03 4.13 0.00 3.05 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 0.00 114 S 8.86 4.93 0.00 3.68 3.59 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 0.00 0.00 0.00 0.00 115 K 8.63 4.18 0.00 1.82 1.87 0.00 1.72 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.70 1.60 7.81 116 K 7.64 4.05 0.00 1.63 1.68 0.00 1.25 0.00 0.00 1.41 0.00 0.00 2.51 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.39 0.55 7.81 117 Y 7.32 4.53 0.00 1.91 1.76 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 0.00 118 M 7.56 4.44 0.00 2.09 1.98 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 2.65 2.67 0.00 119 L 8.32 4.23 0.00 1.79 1.72 0.93 0.80 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 Y 7.36 4.10 0.00 3.12 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 0.00 121 P 0.00 4.35 0.00 2.01 2.06 0.00 2.21 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.93 0.00 122 D 8.91 4.24 0.00 2.66 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.82 4.95 0.00 3.20 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 0.00 125 L 6.63 3.80 0.00 1.07 1.46 0.38 0.29 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 0.00 126 C 8.08 4.64 0.00 3.06 3.21 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 0.00 127 K 8.31 4.64 0.00 1.72 1.60 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.40 7.81 128 G 9.82 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 0.00 0.00 0.00 0.00 129 E 8.11 4.85 0.00 1.95 1.85 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 2.27 2.29 0.00 130 L 9.04 4.43 0.00 1.28 1.25 0.81 -0.37 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 0.00 131 K 8.55 4.34 0.00 1.91 1.75 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.54 1.49 7.81 *133 C 8.48 4.86 0.00 2.93 2.93 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 * Residues marked with a * may have inaccurate shift predictions.