NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3298 8.3144 122.0574 56.1105 32.9875 175.5919 3 K 4.0653 8.2014 121.9795 55.6985 33.4039 174.8506 4 I 4.4145 9.2420 129.5957 61.4010 38.5308 174.6870 5 I 4.5005 8.5315 127.3418 59.7087 38.7733 174.9127 6 E 4.8949 8.7052 126.9634 54.7954 32.5543 174.4726 7 T 4.6984 9.4860 120.8051 60.5438 70.6479 174.2324 8 Q 4.3248 8.6509 125.1741 57.4723 29.1367 176.9154 9 R 4.2596 8.0270 116.0534 56.4022 30.4601 175.9567 10 A 4.9990 7.2901 119.0835 49.1830 22.0962 174.4741 11 P 4.4233 0.0000 0.0000 62.1097 32.0565 177.1839 12 G 3.7243 8.4415 109.7751 45.1369 0.0000 173.3592 13 A 3.8776 8.2927 124.1658 52.2607 18.6718 177.6586 14 I 4.2659 8.6226 115.4526 60.4634 38.1464 175.7181 15 G 4.0827 6.5886 108.7093 44.9402 0.0000 171.9980 16 P 4.5351 0.0000 0.0000 61.1522 29.5588 174.4291 17 Y 4.8569 6.9661 121.3779 56.9099 41.0274 175.2795 18 V 4.4892 8.1057 113.6894 59.6993 34.1805 176.3784 19 Q 4.3543 8.7469 121.0595 59.2275 29.6700 176.5069 20 G 4.6522 7.8582 103.5737 45.1902 0.0000 172.4270 21 V 5.0125 8.8784 119.7822 59.6960 35.1438 173.9211 22 D 5.1680 9.5735 124.2110 52.8084 42.6889 176.2544 23 L 4.4000 9.1889 126.2902 54.7514 42.1125 177.4509 24 G 4.4569 8.5997 115.8900 45.5472 0.0000 175.3700 25 S 4.4464 7.8714 114.4594 59.8700 64.8130 172.8676 26 M 5.2078 7.8648 119.1611 54.0235 35.8731 173.3358 27 V 4.9701 9.0189 125.1077 61.1704 34.7058 173.9989 28 F 5.3014 9.2383 126.4339 55.9886 41.4394 174.8929 29 T 5.0830 8.5571 113.3895 60.0228 70.8976 174.6210 30 S 4.3562 8.9443 119.8666 58.0834 63.9382 174.3884 31 G 3.9034 8.3236 109.0111 46.1789 0.0000 172.8895 32 Q 4.8795 9.4389 124.7912 54.1926 30.8077 175.0484 33 I 4.7510 8.2657 117.3792 57.7649 40.1754 174.5974 34 P 4.6744 0.0000 0.0000 62.4139 30.3859 174.6451 35 V 4.6606 7.0252 125.0698 62.8050 31.7747 174.8683 *37 P 4.4304 0.0000 0.0000 63.1212 33.1466 178.8535 38 Q 4.1924 8.2846 116.5117 57.3876 28.3646 180.4512 39 T 4.2958 7.9219 106.5202 60.8128 69.9869 175.8435 40 G 3.9464 8.3006 108.8447 45.3781 0.0000 173.1858 41 E 4.3062 7.8126 118.9772 55.5502 30.4555 175.9592 42 I 4.6680 8.2315 122.2573 57.8765 38.5278 174.1827 43 P 4.3659 0.0000 0.0000 62.5396 31.8375 176.5024 44 A 4.0678 8.7149 126.4013 55.6448 18.8793 179.1958 45 D 4.7465 7.8679 117.9721 54.6359 42.0227 180.2008 46 V 3.9325 8.4910 125.9372 64.8444 31.4942 179.4076 47 Q 4.0261 8.0930 121.0649 60.3493 28.0072 181.8217 48 D 4.5994 8.0371 120.5568 57.1466 40.8874 178.7102 49 Q 4.0027 8.3521 118.5325 58.8372 28.7030 178.7235 50 A 3.9806 8.3006 122.0426 55.1761 18.3867 179.6622 51 R 3.7601 7.9746 117.2715 59.4300 30.0710 178.5274 52 L 3.9371 8.0121 120.1259 58.2457 42.1241 179.0395 53 S 4.0949 8.3889 115.5259 61.6257 62.6640 176.7744 54 L 3.6075 7.6935 121.6010 57.6166 41.1011 179.3556 55 E 4.0474 8.3609 118.9125 59.4552 28.8760 179.1990 56 N 4.3304 8.4285 116.8232 56.1585 38.6234 177.5432 57 V 3.5845 7.8071 119.5793 65.8952 31.6048 177.7406 58 K 3.8651 8.3161 119.4006 59.6634 31.9772 178.1861 59 A 3.9808 8.3184 121.1362 55.4976 18.1047 179.7876 60 I 3.7207 7.5090 117.3897 64.3884 37.2279 178.8092 61 V 3.5875 7.8707 119.1253 66.1237 31.3030 178.3266 62 V 4.1703 8.8364 119.4753 65.4017 31.1094 177.8268 63 A 3.9756 8.0897 119.7229 54.7176 18.2890 178.6546 64 A 4.2850 7.5843 117.0622 52.7337 18.7761 178.2696 65 G 3.8192 8.2498 105.8628 45.2293 0.0000 173.1729 66 L 4.6652 7.8229 119.9442 52.6648 44.3466 175.1854 67 S 5.0863 8.9272 114.0146 56.0068 65.8326 175.3236 68 V 3.4766 8.2890 120.0608 66.0572 31.0867 177.9081 69 G 3.8350 7.5157 106.4687 47.3666 0.0000 173.6307 70 D 4.6302 8.1806 119.5454 54.6026 41.4917 176.3878 71 I 4.2914 7.6660 122.0628 61.2824 37.6220 175.6132 72 I 4.5137 8.8083 118.0605 60.7452 40.2340 175.2192 73 K 5.2003 7.6691 123.3347 55.2572 35.7408 174.4624 74 M 5.3952 9.2158 125.5210 53.8971 36.8025 174.2721 75 T 4.8238 8.6302 117.3508 61.6756 72.2701 173.2362 76 V 4.3614 8.4577 126.3610 61.2367 33.8484 174.0480 77 F 5.3023 9.0399 128.4536 56.3244 40.5716 175.4174 78 I 5.3148 8.8533 116.5817 59.5580 40.8591 175.7873 79 T 4.6049 8.6036 111.3207 61.9617 70.7477 173.9920 80 D 4.6329 7.7792 122.6352 52.0621 43.0141 175.3511 81 L 4.0714 9.0106 128.4129 57.2299 41.2966 179.0673 82 N 4.4618 8.4284 116.0502 55.8330 38.6414 176.0277 83 D 4.6442 8.4128 119.5226 55.0105 41.1200 178.0708 84 F 4.4101 8.1796 122.2728 61.4771 39.4020 176.7887 85 A 3.7953 8.0105 119.6928 55.3440 18.2324 179.5903 86 T 3.8077 7.8069 113.6961 66.8349 68.5732 176.7677 87 I 3.7276 7.9989 121.9198 64.5558 37.1642 178.2469 88 N 4.0898 8.2403 117.6309 56.0547 38.2411 177.0748 89 E 3.8807 8.1595 120.6908 59.2237 29.7105 178.9970 90 V 3.6344 7.7417 118.2145 66.1830 31.6431 177.3241 91 Y 4.0551 8.4443 119.5789 60.5661 38.6051 177.7704 92 K 4.0137 8.7667 120.8837 59.9581 32.2796 178.7666 93 Q 4.0963 8.4179 118.2008 58.7154 28.6618 178.6217 94 F 4.0773 8.5864 121.9332 61.4486 39.4646 177.2955 95 F 3.9598 8.4862 117.3115 60.5798 38.7965 177.4219 96 D 4.4801 8.8474 119.2382 57.3660 40.3976 178.7237 97 E 3.9769 8.2617 117.4012 59.1197 29.5824 177.9189 98 H 4.4326 7.3701 113.2165 54.2027 29.4304 174.8666 99 Q 3.2862 7.6469 118.5653 57.1101 26.8429 173.6593 100 A 4.7741 7.7342 118.9241 50.1040 21.4452 177.5054 101 T 3.7416 8.2128 112.7351 61.2196 69.6579 173.9723 102 Y 3.9211 7.3865 121.4286 57.2842 38.4430 174.2488 103 P 4.7215 0.0000 0.0000 62.1342 32.6419 175.7339 104 T 4.2091 8.4342 109.9940 62.1688 69.9027 173.4803 105 R 5.4803 8.1056 121.2422 55.4994 33.3428 174.0317 106 S 4.8637 8.5714 119.8231 56.9044 66.8657 172.5174 107 C 5.4870 8.2505 121.9019 57.2037 34.4356 173.4021 108 V 4.4582 8.0706 117.5237 59.7103 36.2774 173.8516 109 Q 4.7613 8.5558 124.9878 55.4709 29.5362 175.8068 110 V 4.1946 8.5975 120.8249 60.0569 33.1359 176.6448 111 A 4.1056 8.5625 124.0958 55.2062 18.4568 177.8734 112 R 4.5723 7.3006 111.6496 55.4809 33.0576 173.4843 113 L 4.8434 7.9805 121.4720 51.6739 45.3630 174.3132 114 P 4.3988 0.0000 0.0000 64.5476 31.6202 177.0991 115 K 3.8461 9.2325 119.2478 56.7381 29.5482 175.1696 116 D 4.4321 8.1728 116.0039 55.2949 38.7890 174.5834 117 V 3.9334 7.2670 111.6238 61.4891 32.3162 176.4626 118 K 4.4484 9.3836 119.9102 56.9224 33.0713 176.6018 119 L 5.0755 7.5776 118.0306 54.9209 43.2886 174.2065 120 E 4.9858 9.3945 120.4857 54.8955 33.6463 173.8737 121 I 5.0516 8.9232 126.9157 59.5385 40.8721 174.3163 122 E 5.1601 9.0341 124.6584 54.6528 32.7375 174.7772 123 A 5.3110 8.7428 121.3393 50.4927 23.4397 174.9877 124 I 4.7240 8.8103 119.6948 59.3612 40.8879 174.7743 125 A 5.2076 8.9388 127.6040 50.1496 22.7469 175.0480 126 V 4.7446 8.4748 112.0506 59.5032 35.1123 175.5383 127 R 4.2912 8.5573 127.3505 55.4337 30.9820 177.0671 *128 S 4.2795 8.5742 122.0271 58.3910 63.0419 169.9368 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 K 8.31 4.33 0.00 1.80 1.87 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.46 7.81 3 K 8.20 4.07 0.00 2.00 1.69 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.43 1.36 7.81 4 I 9.24 4.41 1.89 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 1.37 0.67 0.94 0.00 0.00 5 I 8.53 4.50 1.92 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 1.15 0.60 0.94 0.00 0.00 6 E 8.71 4.89 0.00 1.93 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 2.18 2.29 0.00 7 T 9.49 4.70 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 1.33 0.00 0.00 8 Q 8.65 4.32 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 9 R 8.03 4.26 0.00 1.82 1.98 0.00 3.10 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 10 A 7.29 5.00 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 11 P 0.00 4.42 0.00 2.10 2.03 0.00 3.88 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.36 0.00 12 G 8.44 3.72 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 0.00 0.00 0.00 13 A 8.29 3.88 0.58 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 0.00 0.00 14 I 8.62 4.27 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.88 0.95 0.00 0.00 15 G 6.59 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 16 P 0.00 4.54 0.00 2.21 2.09 0.00 3.88 0.00 0.00 3.71 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 17 Y 6.97 4.86 0.00 2.99 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 18 V 8.11 4.49 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 0.78 0.00 0.00 1.06 0.00 0.00 19 Q 8.75 4.35 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 20 G 7.86 4.65 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 21 V 8.88 5.01 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 0.81 0.00 0.00 1.01 0.00 0.00 22 D 9.57 5.17 0.00 2.72 2.60 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 23 L 9.19 4.40 0.00 1.82 1.75 1.10 0.94 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 24 G 8.60 4.46 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 0.00 0.00 0.00 25 S 7.87 4.45 0.00 3.93 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 26 M 7.86 5.21 0.00 2.17 1.89 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.06 0.00 27 V 9.02 4.97 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 1.10 0.00 0.00 0.96 0.00 0.00 28 F 9.24 5.30 0.00 3.07 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 29 T 8.56 5.08 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 1.25 0.00 0.00 30 S 8.94 4.36 0.00 3.81 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.32 3.90 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 0.00 0.00 0.00 32 Q 9.44 4.88 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 33 I 8.27 4.75 1.89 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 1.44 0.65 0.93 0.00 0.00 34 P 0.00 4.67 0.00 2.25 2.48 0.00 3.68 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 2.09 2.13 0.00 35 V 7.03 4.66 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 0.89 0.00 0.00 0.95 0.00 0.00 *37 P 0.00 4.43 0.00 2.40 2.17 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.15 0.00 38 Q 8.28 4.19 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.94 0.00 0.00 0.00 0.00 0.00 2.27 1.91 0.00 39 T 7.92 4.30 4.40 0.00 0.00 0.00 0.00 0.00 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 40 G 8.30 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 41 E 7.81 4.31 0.00 2.01 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 2.44 0.00 42 I 8.23 4.67 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 1.25 1.36 0.97 0.00 0.00 43 P 0.00 4.37 0.00 2.18 2.06 0.00 3.95 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 2.00 1.97 0.00 44 A 8.71 4.07 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 45 D 7.87 4.75 0.00 2.70 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 46 V 8.49 3.93 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 0.89 0.00 0.00 1.02 0.00 0.00 47 Q 8.09 4.03 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.03 0.00 48 D 8.04 4.60 0.00 2.86 2.75 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 0.00 0.00 0.00 0.00 49 Q 8.35 4.00 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 50 A 8.30 3.98 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 51 R 7.97 3.76 0.00 1.97 1.95 0.00 3.24 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 52 L 8.01 3.94 0.00 1.90 1.82 0.98 0.78 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 53 S 8.39 4.09 0.00 3.85 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 54 L 7.69 3.61 0.00 1.18 0.13 0.55 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.36 4.05 0.00 2.09 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 2.53 2.54 0.00 56 N 8.43 4.33 0.00 2.89 3.07 0.00 0.00 6.62 8.54 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 57 V 7.81 3.58 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 1.01 0.00 0.00 0.94 0.00 0.00 58 K 8.32 3.87 0.00 2.15 2.10 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.44 7.81 59 A 8.32 3.98 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 60 I 7.51 3.72 2.03 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 1.45 1.50 1.01 0.00 0.00 61 V 7.87 3.59 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 1.02 0.00 0.00 1.00 0.00 0.00 62 V 8.84 4.17 2.16 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 1.41 0.00 0.00 1.01 0.00 0.00 63 A 8.09 3.98 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 64 A 7.58 4.28 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 65 G 8.25 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 66 L 7.82 4.67 0.00 1.86 1.70 0.92 0.66 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 67 S 8.93 5.09 0.00 3.88 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 68 V 8.29 3.48 1.72 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 0.40 0.00 0.00 0.41 0.00 0.00 69 G 7.52 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.18 4.63 0.00 2.86 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 71 I 7.67 4.29 2.24 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.61 1.10 0.00 0.00 72 I 8.81 4.51 1.85 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 1.06 0.88 0.96 0.00 0.00 73 K 7.67 5.20 0.00 1.83 1.58 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.37 7.81 74 M 9.22 5.40 0.00 2.08 2.05 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 2.64 2.60 0.00 75 T 8.63 4.82 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 0.35 0.00 0.00 76 V 8.46 4.36 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 1.04 0.00 0.00 1.00 0.00 0.00 77 F 9.04 5.30 0.00 3.00 2.88 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 78 I 8.85 5.31 1.92 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 1.43 1.31 0.98 0.00 0.00 79 T 8.60 4.60 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 1.29 0.00 0.00 80 D 7.78 4.63 0.00 2.65 2.74 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 81 L 9.01 4.07 0.00 1.76 1.64 0.81 -0.18 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 82 N 8.43 4.46 0.00 3.04 2.91 0.00 0.00 6.98 7.67 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 83 D 8.41 4.64 0.00 2.89 2.75 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 0.00 0.00 0.00 0.00 84 F 8.18 4.41 0.00 3.12 3.07 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 85 A 8.01 3.80 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 86 T 7.81 3.81 4.40 0.00 0.00 0.00 0.00 0.00 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 87 I 8.00 3.73 2.04 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 1.57 0.86 0.97 0.00 0.00 88 N 8.24 4.09 0.00 2.53 2.54 0.00 0.00 6.69 7.26 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 89 E 8.16 3.88 0.00 2.15 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 2.31 2.38 0.00 90 V 7.74 3.63 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 1.04 0.00 0.00 1.03 0.00 0.00 91 Y 8.44 4.06 0.00 3.17 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 92 K 8.77 4.01 0.00 1.76 2.03 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.70 1.54 7.81 93 Q 8.42 4.10 0.00 2.38 2.21 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 2.44 2.67 0.00 94 F 8.59 4.08 0.00 3.13 3.12 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 95 F 8.49 3.96 0.00 3.68 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 96 D 8.85 4.48 0.00 2.91 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 97 E 8.26 3.98 0.00 2.00 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 0.00 2.19 1.90 0.00 98 H 7.37 4.43 0.00 2.88 3.19 0.00 6.00 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 7.65 3.29 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 100 A 7.73 4.77 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 0.00 101 T 8.21 3.74 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 1.11 0.00 0.00 102 Y 7.39 3.92 0.00 2.97 2.75 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 0.00 0.00 0.00 0.00 103 P 0.00 4.72 0.00 2.06 2.17 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 104 T 8.43 4.21 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 1.20 0.00 0.00 105 R 8.11 5.48 0.00 1.74 1.68 0.00 2.59 0.00 0.00 3.39 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.60 0.00 106 S 8.57 4.86 0.00 3.65 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 0.00 107 C 8.25 5.49 0.00 2.89 2.65 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 0.00 108 V 8.07 4.46 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 0.61 0.00 0.00 1.07 0.00 0.00 109 Q 8.56 4.76 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 110 V 8.60 4.19 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 0.78 0.00 0.00 1.06 0.00 0.00 111 A 8.56 4.11 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 0.00 112 R 7.30 4.57 0.00 1.72 1.73 0.00 3.17 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 113 L 7.98 4.84 0.00 1.85 1.48 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.40 0.00 2.18 2.01 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 115 K 9.23 3.85 0.00 1.92 1.92 0.00 1.93 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.46 7.81 116 D 8.17 4.43 0.00 2.84 2.75 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 0.00 0.00 0.00 0.00 117 V 7.27 3.93 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 0.72 0.00 0.00 1.06 0.00 0.00 118 K 9.38 4.45 0.00 1.84 1.87 0.00 1.73 0.00 0.00 1.97 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.24 7.81 119 L 7.58 5.08 0.00 1.81 1.65 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.39 4.99 0.00 2.06 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 2.36 2.33 0.00 121 I 8.92 5.05 1.89 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 1.36 0.81 0.97 0.00 0.00 122 E 9.03 5.16 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 2.28 2.28 0.00 123 A 8.74 5.31 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 0.00 124 I 8.81 4.72 1.69 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 0.71 0.74 0.39 0.00 0.00 125 A 8.94 5.21 1.18 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 0.00 126 V 8.47 4.74 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 0.64 0.00 0.00 0.92 0.00 0.00 127 R 8.56 4.29 0.00 1.83 1.96 0.00 3.51 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 *128 S 8.57 4.28 0.00 3.64 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 * Residues marked with a * may have inaccurate shift predictions.