NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4406 8.3193 115.2904 58.8339 63.5914 171.4419 0 H 4.6125 7.8919 115.9977 54.2160 30.8011 171.3353 2 F 5.1884 8.7278 116.4530 56.4786 44.1737 175.5201 3 S 5.4117 8.7040 114.4716 57.2344 66.1470 173.0446 4 I 4.8828 8.9129 113.6645 59.5949 41.0649 174.2260 5 T 5.2973 8.5812 119.2802 62.0495 71.9076 173.6281 6 V 4.6133 8.8226 118.2680 59.4778 35.6385 174.4033 7 R 5.0512 8.6191 123.4402 54.9412 32.4014 174.1335 8 D 5.2692 9.1245 126.1509 53.7558 45.0746 173.2740 9 H 5.3498 8.5233 111.3531 55.1553 31.1324 173.3906 10 I 4.9111 8.6730 113.5135 58.6652 40.9339 173.9275 *12 I 4.3903 8.3043 113.5661 61.3689 39.4563 174.3587 13 A 5.1859 8.1688 124.0628 50.7152 22.0288 175.1280 14 H 4.8835 8.4150 114.2585 55.2374 32.2028 172.8517 15 S 4.7746 8.9888 113.1891 56.5491 66.3128 173.1475 16 F 5.0067 8.5233 118.6961 55.6992 41.9895 174.7330 17 R 4.6638 9.7364 122.5850 54.6036 31.3234 174.5700 18 G 3.9534 9.2361 111.2553 43.6808 0.0000 173.9538 19 D 4.5133 9.0905 124.6615 57.1205 41.4197 178.7004 20 V 3.5082 7.6927 117.4958 64.4165 31.3815 176.9863 21 F 4.3970 8.3933 118.1725 57.4851 40.4084 176.7843 22 G 3.7868 7.8730 110.6609 45.9411 0.0000 175.9285 23 P 4.3216 0.0000 0.0000 64.7276 31.4188 177.3879 24 A 4.2035 8.2431 121.3568 53.1460 18.3564 179.0957 25 Q 4.8958 8.0774 115.2251 57.9368 29.0455 177.3631 26 R 4.1493 7.6693 116.5587 55.1018 30.7374 176.0835 27 L 4.1826 8.3346 122.9503 55.6465 42.9765 175.4905 28 H 4.5941 8.8626 125.3387 55.3375 29.9940 170.8518 29 G 4.1809 8.3221 104.5998 46.9551 0.0000 172.0159 30 A 4.4820 8.3507 119.4791 51.2650 22.2763 176.1935 31 T 4.4333 8.0318 116.2500 62.1193 70.8515 173.7664 32 F 5.5161 8.7741 125.2918 55.5694 41.6838 174.9287 33 L 4.5712 8.9359 124.8717 54.6216 43.0853 176.2243 34 V 4.6871 9.1696 124.1098 61.4407 33.8793 173.7744 35 D 5.4401 9.3044 129.1279 52.5961 43.2489 175.3192 36 A 4.8701 9.0392 126.4341 50.4960 21.3076 175.1531 37 T 5.0000 8.7399 120.1656 61.9672 71.2044 173.7683 38 F 5.2835 9.3742 125.3943 55.5344 42.0330 174.6653 39 R 5.4623 8.9072 119.6685 54.7147 32.8137 174.6199 40 R 4.9127 8.9861 116.0189 55.4783 32.5417 175.9408 41 E 4.1772 9.0149 120.4069 58.8032 29.9722 177.5170 42 Q 4.7933 7.7324 115.3399 53.5510 32.6831 174.9106 43 L 3.8895 7.8699 121.4096 54.5742 42.3611 177.1754 44 D 4.6722 8.5232 122.2035 52.2992 40.8778 176.6838 45 E 4.0173 8.5415 115.8722 58.5657 29.6317 177.0110 46 D 4.5442 8.2955 118.6575 53.8387 41.1314 175.6125 47 N 4.2292 8.3792 117.3382 54.5407 37.6198 173.3531 48 I 4.6368 7.4309 107.4381 58.4142 41.2328 176.2804 49 V 3.5422 8.3961 120.3965 65.3118 31.6052 176.3769 50 V 4.2349 7.1409 115.4536 58.7672 33.8308 173.0594 51 D 4.2457 8.5616 120.7508 54.9450 41.6859 177.1147 52 I 3.9003 8.4002 129.4086 64.2229 37.1683 178.5572 53 G 3.5967 8.0826 106.1705 47.8644 0.0000 175.6646 54 L 3.9936 8.1670 121.5206 57.1005 41.5202 179.3261 55 A 3.7835 8.2718 121.4310 55.4173 18.2591 179.8705 56 T 3.8558 8.3949 108.6594 64.8061 68.7914 176.3897 57 Q 3.9409 8.1244 122.4650 59.2299 29.1251 178.4761 58 E 3.9838 8.7010 119.8012 59.0600 29.4122 178.9534 59 L 4.1267 8.3956 120.9729 58.1923 42.0888 179.2807 60 G 3.6225 8.4314 105.5621 47.8024 0.0000 175.4535 61 A 4.0119 8.0047 122.4582 54.7816 18.4817 179.7530 62 V 3.6893 7.8891 116.6428 66.4494 31.6914 178.8000 63 V 3.8351 8.2179 112.1238 63.7759 31.1808 178.7146 64 G 3.6572 8.2042 104.9997 47.4290 0.0000 174.8735 65 A 4.2939 7.6826 120.8182 53.3803 18.7190 177.7637 66 L 4.5580 7.7875 116.1861 55.1899 43.7237 177.0178 67 N 4.2819 8.0133 116.8699 54.7409 39.4818 173.7171 68 Y 3.7853 8.0512 119.3313 59.4943 35.7526 170.3583 69 R 4.6448 7.6565 115.6894 54.2672 34.1961 174.8492 70 N 4.9953 8.4882 119.2902 52.3639 38.8981 175.8609 71 L 4.3319 8.9093 127.8192 57.3461 41.9647 179.4892 72 D 4.4695 8.2281 117.9802 56.5332 40.7436 176.7391 73 N 4.7400 7.9416 114.5910 52.8212 39.2301 174.3906 74 E 4.4031 7.9467 120.0872 54.3998 30.2939 175.3726 75 P 4.2291 0.0000 0.0000 65.6477 31.6163 178.4701 76 D 4.1969 7.7872 116.6281 56.4113 40.8958 177.0126 77 F 5.0684 7.9100 115.8910 56.7417 39.6351 174.7352 78 A 4.1237 7.6424 124.3685 54.0534 18.2540 178.8389 79 G 3.9170 9.0157 110.2826 45.5276 0.0000 173.0898 80 V 4.1961 7.5505 118.9077 60.3610 33.5684 174.9432 81 N 4.4362 8.4897 124.7642 53.6110 39.0032 176.4034 82 T 4.3414 8.2552 118.7518 60.4520 68.0089 174.9975 83 S 4.4980 7.5250 119.6830 58.9323 65.7905 175.1733 84 T 3.5566 8.5585 119.5855 66.8388 68.0929 176.6477 85 E 3.9769 8.1138 118.9705 59.2228 29.7176 178.7634 86 F 4.0169 8.1035 121.2670 61.1534 39.4760 177.2003 87 L 3.6098 8.1358 118.4709 57.3217 41.1745 179.2591 88 A 3.8538 7.8331 120.9280 55.0509 18.2554 179.6254 89 K 3.2543 7.4056 117.9105 59.1818 32.0985 179.0586 90 V 3.3252 7.1460 118.4707 66.1631 31.3415 178.1650 91 I 3.6960 7.7709 119.2178 64.1182 36.8169 178.2026 92 A 3.9894 8.1782 121.9126 55.4445 18.2450 179.5020 93 D 4.3255 8.4674 117.7355 57.5830 40.9815 179.2904 94 R 3.9782 8.0774 118.6794 59.0696 29.9748 179.0944 95 L 4.0472 8.2315 118.8330 57.6452 41.5553 179.2914 96 A 3.9503 8.3220 121.0109 55.2991 18.3228 179.4590 97 E 3.9609 8.3386 117.0182 59.7445 29.5331 179.8887 98 R 3.9519 7.9834 117.7977 59.0542 30.0955 179.2373 99 V 3.5768 7.9998 118.1851 66.5165 31.3626 177.9324 100 H 4.3585 8.0782 114.4939 58.5037 28.6056 177.1681 101 K 4.3082 7.8530 118.1064 56.7368 32.4520 177.8708 102 G 3.9141 8.1944 108.5111 45.1397 0.0000 175.3186 103 A 4.0512 7.9401 122.7860 54.1957 18.4599 178.7901 104 L 4.4057 7.9961 114.3178 54.2690 42.1758 177.5605 105 G 4.0824 8.0034 104.3187 45.8116 0.0000 175.0768 106 E 4.0835 8.7298 119.2253 59.2332 29.3649 179.9962 107 G 3.6224 8.1105 105.1375 47.6660 0.0000 175.0828 108 A 4.1822 7.9634 121.9765 54.0061 18.1805 179.6402 109 R 4.1103 7.7041 116.3540 58.6407 30.1439 178.1978 110 G 3.9086 7.7274 103.2606 43.8334 0.0000 173.9695 111 L 4.2237 7.2617 121.0976 55.0121 42.4727 177.0750 112 A 4.2993 9.0977 124.2841 54.1762 20.3642 177.1427 113 G 4.2621 7.6318 100.8715 46.2262 0.0000 172.1122 114 L 5.2461 8.3715 119.0397 54.5654 44.5655 175.3019 115 T 4.9673 8.6592 115.7045 61.7976 72.8681 173.0757 116 V 4.7943 8.7901 125.5433 61.3659 34.4178 174.1864 117 T 5.1004 8.9616 124.5032 61.7364 71.6044 172.8280 118 L 5.2757 9.0237 126.6266 53.3237 44.7180 175.0789 119 H 5.4589 9.3737 122.0028 54.4233 29.8673 175.4816 120 E 4.5454 9.4710 121.8704 56.6118 30.4168 175.7193 121 S 4.6230 7.5685 112.0262 58.2499 65.0996 174.2017 122 H 4.5900 9.1876 114.5528 57.3330 28.5599 175.8913 123 V 4.5578 8.0289 111.4241 60.8255 33.2375 175.2029 124 A 4.5705 8.0143 123.3042 50.3481 22.0020 175.3785 125 W 5.6835 7.9486 117.9741 55.0445 31.3721 173.6575 126 A 5.0061 9.2306 120.9802 50.5196 22.4136 175.0693 127 S 5.1831 8.5131 112.3302 57.0783 66.7742 172.7054 128 Y 4.7856 9.1772 121.8639 55.9513 41.7661 173.3875 129 E 4.9838 8.2622 127.2272 54.4128 32.1869 174.7779 130 R 4.5788 8.5989 121.1053 54.5987 33.3829 174.2306 131 A 4.7539 8.4375 121.9059 51.5706 19.9517 177.7279 132 L 4.3646 8.3481 118.2101 55.0607 42.4334 176.9982 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 8.32 4.44 0.00 3.83 3.84 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 0 H 7.89 4.61 0.00 3.17 3.18 0.00 5.52 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 F 8.73 5.19 0.00 3.16 2.91 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 0.00 0.00 0.00 3 S 8.70 5.41 0.00 3.99 3.84 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 4 I 8.91 4.88 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.32 0.97 0.00 0.00 5 T 8.58 5.30 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 1.23 0.00 0.00 6 V 8.82 4.61 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 0.81 0.00 0.00 1.10 0.00 0.00 7 R 8.62 5.05 0.00 1.88 1.79 0.00 3.14 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 8 D 9.12 5.27 0.00 2.70 2.52 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 9 H 8.52 5.35 0.00 3.33 3.18 0.00 5.52 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 10 I 8.67 4.91 1.84 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 1.05 2.03 0.93 0.00 0.00 *12 I 8.30 4.39 1.92 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.36 0.97 0.00 0.00 13 A 8.17 5.19 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 14 H 8.41 4.88 0.00 2.99 3.21 0.00 5.23 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.99 4.77 0.00 3.96 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 16 F 8.52 5.01 0.00 2.67 1.47 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.74 4.66 0.00 1.74 1.97 0.00 3.27 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 18 G 9.24 3.95 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 0.00 19 D 9.09 4.51 0.00 2.78 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 20 V 7.69 3.51 1.84 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 -0.04 0.00 0.00 0.61 0.00 0.00 21 F 8.39 4.40 0.00 3.37 3.27 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 22 G 7.87 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 23 P 0.00 4.32 0.00 2.24 2.34 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 24 A 8.24 4.20 1.65 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 25 Q 8.08 4.90 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.87 0.00 0.00 0.00 0.00 0.00 2.72 2.57 0.00 26 R 7.67 4.15 0.00 1.92 1.87 0.00 3.18 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 27 L 8.33 4.18 0.00 1.55 1.58 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.86 4.59 0.00 3.25 3.25 0.00 5.35 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.32 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 30 A 8.35 4.48 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.03 4.43 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 1.25 0.00 0.00 32 F 8.77 5.52 0.00 2.96 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 33 L 8.94 4.57 0.00 1.69 1.60 0.82 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 34 V 9.17 4.69 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 0.88 0.00 0.00 0.99 0.00 0.00 35 D 9.30 5.44 0.00 2.61 2.56 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 36 A 9.04 4.87 1.06 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 0.00 0.00 0.00 0.00 0.00 37 T 8.74 5.00 4.13 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 1.25 0.00 0.00 38 F 9.37 5.28 0.00 2.92 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 39 R 8.91 5.46 0.00 2.02 2.03 0.00 2.80 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 40 R 8.99 4.91 0.00 1.89 2.07 0.00 2.89 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 1.57 1.79 0.00 41 E 9.01 4.18 0.00 2.02 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 2.34 0.00 42 Q 7.73 4.79 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 43 L 7.87 3.89 0.00 1.36 1.24 0.75 0.23 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 44 D 8.52 4.67 0.00 2.84 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 45 E 8.54 4.02 0.00 2.07 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 2.25 2.30 0.00 46 D 8.30 4.54 0.00 2.76 2.70 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 47 N 8.38 4.23 0.00 2.77 2.88 0.00 0.00 6.86 7.70 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 48 I 7.43 4.64 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.95 0.92 0.00 0.00 49 V 8.40 3.54 2.11 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 0.96 0.00 0.00 0.98 0.00 0.00 50 V 7.14 4.23 1.88 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 0.29 0.00 0.00 0.65 0.00 0.00 51 D 8.56 4.25 0.00 2.66 2.55 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 0.00 0.00 0.00 52 I 8.40 3.90 1.85 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 1.57 0.33 0.91 0.00 0.00 53 G 8.08 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 0.00 0.00 0.00 54 L 8.17 3.99 0.00 1.77 1.65 0.92 0.83 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 55 A 8.27 3.78 1.13 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 0.00 0.00 56 T 8.39 3.86 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 1.28 0.00 0.00 57 Q 8.12 3.94 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 58 E 8.70 3.98 0.00 2.04 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 2.46 2.43 0.00 59 L 8.40 4.13 0.00 1.95 1.79 0.96 1.36 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 60 G 8.43 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 61 A 8.00 4.01 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 62 V 7.89 3.69 2.25 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 1.04 0.00 0.00 1.02 0.00 0.00 63 V 8.22 3.84 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 0.78 0.00 0.00 1.02 0.00 0.00 64 G 8.20 3.66 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 0.00 0.00 0.00 65 A 7.68 4.29 1.36 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 0.00 0.00 0.00 66 L 7.79 4.56 0.00 1.77 1.78 0.95 1.48 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 67 N 8.01 4.28 0.00 2.94 2.74 0.00 0.00 7.28 7.56 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 68 Y 8.05 3.79 0.00 3.20 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 69 R 7.66 4.64 0.00 2.05 1.83 0.00 3.29 0.00 0.00 3.46 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 70 N 8.49 5.00 0.00 2.80 2.73 0.00 0.00 7.03 6.66 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 71 L 8.91 4.33 0.00 1.76 1.83 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.23 4.47 0.00 2.86 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 73 N 7.94 4.74 0.00 2.89 2.85 0.00 0.00 6.96 7.44 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 74 E 7.95 4.40 0.00 2.38 1.82 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 2.57 2.58 0.00 75 P 0.00 4.23 0.00 2.10 2.07 0.00 3.54 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 76 D 7.79 4.20 0.00 1.58 1.94 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 77 F 7.91 5.07 0.00 3.15 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 78 A 7.64 4.12 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 79 G 9.02 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.55 4.20 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 0.03 0.00 0.00 0.93 0.00 0.00 81 N 8.49 4.44 0.00 2.62 2.60 0.00 0.00 7.03 7.54 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 82 T 8.26 4.34 4.20 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 0.94 0.00 0.00 83 S 7.53 4.50 0.00 4.15 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 84 T 8.56 3.56 4.29 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 1.21 0.00 0.00 85 E 8.11 3.98 0.00 2.18 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 0.00 2.39 2.33 0.00 86 F 8.10 4.02 0.00 3.11 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 87 L 8.14 3.61 0.00 1.34 1.39 0.72 0.55 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 88 A 7.83 3.85 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 89 K 7.41 3.25 0.00 0.79 1.31 0.00 0.93 0.00 0.00 1.16 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.96 0.38 7.81 90 V 7.15 3.33 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 1.06 0.00 0.00 0.27 0.00 0.00 91 I 7.77 3.70 1.79 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 1.43 0.41 0.89 0.00 0.00 92 A 8.18 3.99 1.52 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 0.00 0.00 93 D 8.47 4.33 0.00 2.61 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 94 R 8.08 3.98 0.00 1.88 1.99 0.00 3.15 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 95 L 8.23 4.05 0.00 1.96 1.83 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.32 3.95 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 97 E 8.34 3.96 0.00 2.17 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 2.55 2.53 0.00 98 R 7.98 3.95 0.00 2.07 2.10 0.00 3.16 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 99 V 8.00 3.58 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 1.06 0.00 0.00 1.07 0.00 0.00 100 H 8.08 4.36 0.00 3.33 3.34 0.00 5.70 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.85 4.31 0.00 1.96 1.86 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.58 7.81 102 G 8.19 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.94 4.05 1.34 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 0.00 0.00 104 L 8.00 4.41 0.00 1.52 1.50 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.00 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 0.00 0.00 0.00 106 E 8.73 4.08 0.00 2.01 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 2.40 2.37 0.00 107 G 8.11 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 0.00 108 A 7.96 4.18 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 0.00 109 R 7.70 4.11 0.00 1.81 2.03 0.00 3.42 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 110 G 7.73 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.26 4.22 0.00 1.79 1.72 1.05 0.88 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 0.00 112 A 9.10 4.30 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 0.00 113 G 7.63 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 0.00 0.00 0.00 0.00 114 L 8.37 5.25 0.00 1.52 1.58 0.86 0.72 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 0.00 115 T 8.66 4.97 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 1.23 0.00 0.00 116 V 8.79 4.79 2.23 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 1.01 0.00 0.00 0.89 0.00 0.00 117 T 8.96 5.10 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 1.26 0.00 0.00 118 L 9.02 5.28 0.00 1.49 1.50 0.84 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 119 H 9.37 5.46 0.00 3.11 3.32 0.00 5.60 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.47 4.55 0.00 2.27 2.54 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 2.64 2.35 0.00 121 S 7.57 4.62 0.00 4.10 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 0.00 122 H 9.19 4.59 0.00 3.36 3.48 0.00 5.47 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.03 4.56 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 0.50 0.00 0.00 0.90 0.00 0.00 124 A 8.01 4.57 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 0.00 125 W 7.95 5.68 0.00 3.29 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 0.00 126 A 9.23 5.01 1.21 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 0.00 127 S 8.51 5.18 0.00 3.93 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 0.00 128 Y 9.18 4.79 0.00 2.93 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 0.00 129 E 8.26 4.98 0.00 1.85 1.57 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 2.02 2.12 0.00 130 R 8.60 4.58 0.00 1.81 1.61 0.00 3.15 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 131 A 8.44 4.75 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 0.00 132 L 8.35 4.36 0.00 1.80 1.59 1.02 0.63 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 * Residues marked with a * may have inaccurate shift predictions.