NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3799 8.3044 120.3507 55.2434 32.3678 173.4715 2 E 4.1954 7.7247 122.7943 53.0738 33.5718 175.0029 3 S 3.4966 8.1390 110.7882 58.3367 61.0766 172.0340 4 K 3.9793 8.3971 133.5954 59.2756 32.2484 178.5936 5 R 4.0097 7.9697 114.0611 57.8542 29.5833 177.0820 6 N 4.9620 8.0709 115.4410 52.8616 38.8852 174.1721 7 K 4.5795 7.6074 119.6088 54.1979 33.6283 174.5412 8 P 5.2514 0.0000 0.0000 62.6841 32.2627 175.4349 9 G 4.1012 7.9316 107.6742 45.7811 0.0000 171.8164 10 K 5.0612 8.4315 119.1333 54.5571 33.9377 176.8031 11 A 4.6859 8.9322 126.5239 52.3532 19.6722 176.6563 12 T 4.8491 8.9906 111.0300 60.0069 73.0687 173.5858 13 G 4.0095 9.0354 107.9888 45.3076 0.0000 173.7526 14 K 4.0973 9.3826 118.6670 55.6387 33.0556 178.7319 15 G 4.0133 8.4977 107.8827 44.5382 0.0000 172.3572 16 K 4.6990 8.1082 116.0685 53.6970 36.1562 174.4314 17 P 4.9213 0.0000 0.0000 62.2252 31.8409 176.4511 18 V 4.6274 8.0141 114.2219 59.6516 36.0732 175.0581 19 G 4.3939 8.0704 109.1446 44.4185 0.0000 172.9583 20 D 4.5652 8.9300 118.0946 56.8379 41.1674 177.3149 21 K 4.6958 7.9849 117.5630 56.0845 32.4338 177.6791 22 W 4.5218 8.2365 130.1129 61.3085 30.8469 177.8976 23 L 3.4677 7.8548 117.6277 57.2601 41.0231 179.0855 24 D 4.4358 7.9555 118.8511 57.3764 40.8195 178.1462 25 D 4.4779 8.3311 118.9143 56.8043 40.7939 178.2542 26 A 4.5244 7.9162 120.8655 53.8021 18.0586 178.5774 27 G 3.9846 7.7768 105.1529 44.9842 0.0000 173.6202 28 K 4.7473 7.6268 118.8493 55.0401 36.9179 178.8991 29 D 4.2570 8.1833 121.3735 56.3018 40.1503 174.8631 30 S 4.5075 9.0798 122.8930 59.0359 62.6530 174.0904 31 G 3.9108 8.3703 107.6224 44.6515 0.0000 172.9478 32 A 4.6931 8.5506 120.4473 50.4367 20.3541 175.7757 33 P 4.9169 0.0000 0.0000 61.9418 33.5031 175.6378 34 I 4.1420 8.2374 120.7980 60.3346 38.2660 174.5693 35 P 4.5770 0.0000 0.0000 62.1016 31.5967 177.0277 36 D 4.7003 8.7245 124.1694 56.2305 39.0648 179.5093 37 R 3.8945 7.7452 118.7452 59.1304 30.0958 178.9260 38 I 3.7459 7.4738 118.9069 64.1207 37.1927 178.1053 39 A 4.0496 8.0494 121.6960 55.3349 17.9644 179.4666 40 D 4.3321 7.9878 116.5025 57.2731 40.9070 178.7213 41 K 4.1600 7.4855 116.8932 58.3728 32.4444 178.4057 42 L 4.5767 7.9042 118.1908 54.3230 42.5090 176.7016 43 R 4.2734 7.4162 118.9452 58.2175 30.2550 176.4217 44 D 4.7713 9.1621 123.9469 54.2968 40.3824 174.6307 45 K 4.0722 7.8291 121.0490 56.1163 33.5151 174.9662 46 E 4.7653 8.2072 126.5854 54.6462 31.2174 174.8229 47 F 4.8505 8.5536 125.3266 55.6013 41.6522 176.9767 48 K 4.1699 9.0468 121.7996 58.9502 32.5570 177.3687 49 S 5.0586 7.7102 113.4201 57.1144 66.6045 175.2979 50 F 4.2516 9.2445 124.6747 61.4429 39.0245 176.6947 51 D 4.3408 8.3125 117.3418 57.4262 41.0605 177.8672 52 D 4.4753 8.0711 119.3486 57.0836 40.7582 178.4634 53 F 3.0358 7.9216 120.9796 60.7313 39.4010 177.0140 54 R 3.3678 7.7799 118.7118 59.2461 29.8507 178.3170 55 K 4.2737 8.2292 120.3474 59.0033 32.1943 178.5953 56 A 3.9741 7.7740 120.9663 54.8674 18.2397 179.6862 57 V 3.0669 7.1290 116.7600 65.9570 31.5282 178.4261 58 W 4.5076 7.4603 117.9899 59.8229 28.6114 178.4503 59 E 4.1936 8.1682 117.9146 59.5156 29.2329 178.9520 60 E 4.0894 8.3206 118.7122 59.1785 29.4625 179.5001 61 V 3.6189 8.0308 118.8109 65.9387 31.3985 178.2174 62 S 4.3291 8.4909 113.7080 60.4302 62.5247 175.4770 63 K 4.6435 7.6030 119.8166 54.9585 32.5843 175.1412 64 D 4.7639 7.5797 121.2851 51.6769 42.0626 174.9111 65 P 4.2737 0.0000 0.0000 66.0735 30.8648 178.0428 66 E 3.9122 8.1294 117.5775 59.0449 29.8649 178.3091 67 L 4.2144 8.0940 117.3114 56.7546 41.8831 178.2761 68 S 4.6227 8.0749 112.5812 59.1726 63.0389 175.4961 69 K 3.4781 7.8618 122.2053 59.0433 31.9301 176.2884 70 N 4.7824 8.1730 114.7286 53.3142 38.9978 173.8345 71 L 4.7854 8.3544 117.6471 53.0695 44.1263 176.7920 72 N 4.7452 8.4319 120.6289 51.3241 39.9946 174.2356 73 P 4.2433 0.0000 0.0000 66.2116 31.2233 179.0682 74 S 4.1518 8.0730 113.0203 61.7375 62.8642 176.3813 75 N 4.5001 8.5998 119.2070 56.1712 38.2322 177.6096 76 K 4.0189 8.5353 120.4760 59.6517 31.8976 179.5241 77 S 4.1506 7.8411 114.5926 61.3737 62.9936 176.5442 78 S 4.2650 7.8801 115.4993 61.6809 62.2350 176.7644 79 V 4.2262 8.2110 116.5209 63.6947 31.0101 178.6429 80 S 4.1994 7.8326 114.6283 59.9879 62.8045 175.6313 81 K 4.1829 7.5832 120.0747 55.6803 32.3282 177.2704 82 G 3.9965 8.1749 108.8864 45.5723 0.0000 173.3197 83 Y 4.7363 7.2334 117.0808 56.9426 39.0170 174.8747 84 S 2.8705 8.0678 116.8647 56.8665 63.3963 172.1597 85 P 4.5214 0.0000 0.0000 62.3095 32.7697 175.3862 86 F 4.6063 9.0387 120.6202 57.7767 39.5456 175.5434 87 T 4.2006 8.0877 113.0940 59.5377 70.6221 172.8633 88 P 4.4161 0.0000 0.0000 62.0963 32.3149 177.5210 89 K 3.8072 8.8315 122.1633 59.7394 32.0258 178.4896 90 N 4.4780 8.1333 113.8382 54.7955 37.4883 175.1629 91 Q 4.4372 8.1073 117.4798 55.7234 29.5519 175.2829 92 Q 4.6125 7.6544 117.5299 54.9157 30.2150 175.8429 93 V 4.2236 8.2155 119.5788 61.9916 34.5777 175.1638 94 G 3.6433 8.4904 118.5943 47.1754 0.0000 174.3410 95 G 3.6920 8.7910 113.1087 45.9066 0.0000 173.1816 96 R 4.3038 8.0181 120.7690 55.0040 29.6887 176.6558 97 K 4.5952 8.3573 120.7769 55.6919 33.7967 176.1093 98 V 4.5846 7.0575 111.1270 58.8893 35.1133 175.0232 99 Y 4.1963 8.1929 120.1280 58.4827 38.4389 175.7973 100 E 4.8928 9.6082 122.3241 54.6272 33.1342 174.7816 101 L 5.2537 8.5827 122.6045 53.8233 43.4483 175.5904 102 H 5.0212 9.2234 119.6588 54.3700 33.7829 171.9104 103 H 4.8723 8.6553 117.5464 55.0086 29.1334 174.6122 104 D 4.4240 9.1763 125.0602 57.0119 41.3453 176.2425 105 K 4.3004 8.7988 121.6291 54.1234 32.8181 174.3569 106 P 4.4505 0.0000 0.0000 62.7511 32.1785 177.5060 107 I 3.9366 8.5108 121.8484 63.9720 37.1329 178.3756 108 S 4.2921 7.9578 112.5642 60.0706 62.9803 174.4911 109 Q 4.4487 8.0917 119.0367 55.8003 29.0375 175.9784 110 G 3.9316 8.1870 105.7689 45.1792 0.0000 174.6106 111 G 3.9973 8.0799 108.6052 44.2710 0.0000 173.4094 112 E 4.2050 8.3954 121.6986 55.3820 30.4741 177.3892 113 V 3.2779 8.3660 123.3505 65.5801 31.6789 176.3417 114 Y 4.2343 7.6537 114.7064 57.4539 38.3084 174.4618 115 D 5.0068 7.6914 120.6307 52.7892 40.7527 176.8715 116 M 4.1521 9.2016 128.5361 58.1401 32.1183 178.3827 117 D 4.5130 8.1984 117.1591 55.8512 41.2714 176.1596 118 N 4.8902 8.4661 118.0325 53.2024 40.0471 173.6060 119 I 5.0140 7.4983 117.8554 59.9813 39.7796 175.2457 120 R 4.9666 9.0896 124.0585 54.4959 34.7383 174.1894 121 V 4.9119 9.0048 122.3319 61.7673 33.4807 174.8749 122 T 5.4349 9.1924 117.6338 60.1264 72.8504 173.3552 123 T 4.3537 8.5831 112.8893 60.5358 70.5444 174.0863 124 P 4.2316 0.0000 0.0000 65.6459 31.2549 178.8336 125 K 3.8833 7.9900 118.3639 59.5115 32.0523 178.7981 126 R 3.8700 7.8688 118.5301 59.7177 29.9119 177.8461 127 H 4.0849 8.3504 118.0231 59.2892 29.5504 177.3489 128 I 3.6969 7.5679 120.5876 64.6278 37.1193 178.0157 129 D 4.4913 8.2232 118.4353 57.1819 40.5928 178.7431 130 I 3.8702 7.7755 120.1406 64.2850 37.2340 176.2760 131 H 4.4950 7.8208 120.4582 55.9238 28.8477 175.0562 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 M 8.30 4.38 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 2 E 7.72 4.20 0.00 2.00 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 2.18 2.36 0.00 3 S 8.14 3.50 0.00 3.97 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 4 K 8.40 3.98 0.00 1.80 1.73 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.42 7.81 5 R 7.97 4.01 0.00 1.99 2.03 0.00 3.01 0.00 0.00 3.40 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 6 N 8.07 4.96 0.00 2.92 2.92 0.00 0.00 6.81 7.73 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 7 K 7.61 4.58 0.00 1.73 1.89 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.52 7.81 8 P 0.00 5.25 0.00 1.99 2.04 0.00 3.88 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 9 G 7.93 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 10 K 8.43 5.06 0.00 1.64 1.73 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.71 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.37 7.81 11 A 8.93 4.69 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 0.00 0.00 0.00 0.00 0.00 12 T 8.99 4.85 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 1.25 0.00 0.00 13 G 9.04 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 14 K 9.38 4.10 0.00 1.88 1.85 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.42 7.81 15 G 8.50 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 16 K 8.11 4.70 0.00 1.80 1.65 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.40 7.81 17 P 0.00 4.92 0.00 2.03 1.95 0.00 3.67 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 18 V 8.01 4.63 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 0.69 0.00 0.00 0.50 0.00 0.00 19 G 8.07 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 20 D 8.93 4.57 0.00 2.72 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 21 K 7.98 4.70 0.00 1.86 1.84 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.44 7.81 22 W 8.24 4.52 0.00 3.35 3.32 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 23 L 7.85 3.47 0.00 1.51 1.10 0.56 -0.49 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 24 D 7.96 4.44 0.00 2.96 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 25 D 8.33 4.48 0.00 2.99 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 26 A 7.92 4.52 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 27 G 7.78 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 0.00 0.00 0.00 28 K 7.63 4.75 0.00 1.82 1.67 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.39 7.81 29 D 8.18 4.26 0.00 2.80 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 0.00 0.00 0.00 30 S 9.08 4.51 0.00 3.88 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 31 G 8.37 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 32 A 8.55 4.69 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 33 P 0.00 4.92 0.00 2.16 2.16 0.00 4.00 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 34 I 8.24 4.14 1.92 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 1.60 0.91 0.90 0.00 0.00 35 P 0.00 4.58 0.00 1.72 1.44 0.00 3.26 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 0.58 0.65 0.00 36 D 8.72 4.70 0.00 2.87 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 37 R 7.75 3.89 0.00 1.71 1.92 0.00 2.99 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 38 I 7.47 3.75 1.81 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.66 0.72 0.00 0.00 39 A 8.05 4.05 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 40 D 7.99 4.33 0.00 2.79 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 41 K 7.49 4.16 0.00 1.89 1.85 0.00 1.63 0.00 0.00 1.90 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.59 7.81 42 L 7.90 4.58 0.00 1.85 1.99 0.60 0.87 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 43 R 7.42 4.27 0.00 2.04 1.89 0.00 3.33 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 1.68 1.67 0.00 44 D 9.16 4.77 0.00 2.87 2.86 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 45 K 7.83 4.07 0.00 1.81 1.72 0.00 1.48 0.00 0.00 1.31 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.45 1.05 7.81 46 E 8.21 4.77 0.00 1.87 1.63 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 2.07 2.33 0.00 47 F 8.55 4.85 0.00 2.73 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 48 K 9.05 4.17 0.00 2.00 1.95 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.52 7.81 49 S 7.71 5.06 0.00 4.15 4.06 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 50 F 9.24 4.25 0.00 3.11 3.15 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 51 D 8.31 4.34 0.00 2.88 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 52 D 8.07 4.48 0.00 3.17 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 53 F 7.92 3.04 0.00 2.63 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 54 R 7.78 3.37 0.00 1.63 2.01 0.00 3.22 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 1.83 1.77 0.00 55 K 8.23 4.27 0.00 1.94 2.00 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.39 7.81 56 A 7.77 3.97 1.40 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 0.00 0.00 0.00 57 V 7.13 3.07 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 0.18 0.00 0.00 -0.06 0.00 0.00 58 W 7.46 4.51 0.00 3.44 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 59 E 8.17 4.19 0.00 2.08 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 2.35 2.56 0.00 60 E 8.32 4.09 0.00 2.01 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 2.46 2.39 0.00 61 V 8.03 3.62 2.57 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 1.39 0.00 0.00 1.04 0.00 0.00 62 S 8.49 4.33 0.00 4.14 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 0.00 63 K 7.60 4.64 0.00 1.76 1.85 0.00 1.67 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 1.39 1.56 7.81 64 D 7.58 4.76 0.00 2.76 2.59 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 65 P 0.00 4.27 0.00 2.30 2.30 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 66 E 8.13 3.91 0.00 1.94 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 2.24 2.41 0.00 67 L 8.09 4.21 0.00 1.62 1.64 0.40 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.07 4.62 0.00 4.25 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 69 K 7.86 3.48 0.00 2.14 1.89 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.58 7.81 70 N 8.17 4.78 0.00 2.81 2.87 0.00 0.00 6.83 7.78 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 71 L 8.35 4.79 0.00 1.86 1.58 0.95 0.85 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 72 N 8.43 4.75 0.00 2.93 2.99 0.00 0.00 6.21 7.76 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 73 P 0.00 4.24 0.00 2.18 2.18 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 74 S 8.07 4.15 0.00 3.86 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 75 N 8.60 4.50 0.00 2.97 2.92 0.00 0.00 7.06 7.11 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 76 K 8.54 4.02 0.00 2.00 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.83 7.81 77 S 7.84 4.15 0.00 4.05 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 78 S 7.88 4.26 0.00 4.06 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 79 V 8.21 4.23 2.43 0.00 0.00 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 1.10 0.00 0.00 80 S 7.83 4.20 0.00 4.01 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 81 K 7.58 4.18 0.00 0.79 1.08 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.29 7.81 82 G 8.17 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 83 Y 7.23 4.74 0.00 3.02 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 84 S 8.07 2.87 0.00 3.55 3.41 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 85 P 0.00 4.52 0.00 2.12 1.97 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.41 0.00 86 F 9.04 4.61 0.00 2.93 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 87 T 8.09 4.20 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 0.09 0.00 0.00 88 P 0.00 4.42 0.00 2.34 2.02 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 89 K 8.83 3.81 0.00 1.76 1.81 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.43 7.81 90 N 8.13 4.48 0.00 2.84 2.93 0.00 0.00 5.90 7.39 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 91 Q 8.11 4.44 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 92 Q 7.65 4.61 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 93 V 8.22 4.22 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 0.96 0.00 0.00 0.91 0.00 0.00 94 G 8.49 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 0.00 0.00 0.00 95 G 8.79 3.69 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 0.00 0.00 0.00 96 R 8.02 4.30 0.00 2.03 1.99 0.00 3.06 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 97 K 8.36 4.60 0.00 1.87 1.98 0.00 1.67 0.00 0.00 2.05 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.57 1.43 7.81 98 V 7.06 4.58 1.75 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 -0.11 0.00 0.00 0.71 0.00 0.00 99 Y 8.19 4.20 0.00 2.64 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 0.00 100 E 9.61 4.89 0.00 1.90 1.73 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 2.20 2.42 0.00 101 L 8.58 5.25 0.00 1.81 1.86 0.81 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.22 5.02 0.00 3.07 3.15 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.66 4.87 0.00 2.90 3.33 0.00 5.91 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 0.00 104 D 9.18 4.42 0.00 2.67 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 0.00 105 K 8.80 4.30 0.00 1.80 1.78 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.38 7.81 106 P 0.00 4.45 0.00 2.18 1.94 0.00 3.64 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 107 I 8.51 3.94 1.69 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.02 0.77 0.00 0.00 108 S 7.96 4.29 0.00 3.95 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 0.00 109 Q 8.09 4.45 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.87 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 110 G 8.19 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 0.00 111 G 8.08 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 0.00 112 E 8.40 4.20 0.00 1.96 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 2.29 2.24 0.00 113 V 8.37 3.28 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 -0.07 0.00 0.00 0.67 0.00 0.00 114 Y 7.65 4.23 0.00 3.19 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 0.00 115 D 7.69 5.01 0.00 2.76 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 0.00 116 M 9.20 4.15 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.81 0.00 117 D 8.20 4.51 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 0.00 118 N 8.47 4.89 0.00 3.01 2.87 0.00 0.00 6.87 7.72 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 0.00 119 I 7.50 5.01 1.96 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 1.04 0.83 1.13 0.00 0.00 120 R 9.09 4.97 0.00 1.73 1.89 0.00 3.32 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 121 V 9.00 4.91 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 1.11 0.00 0.00 1.04 0.00 0.00 122 T 9.19 5.43 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 1.30 0.00 0.00 123 T 8.58 4.35 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 1.19 0.00 0.00 124 P 0.00 4.23 0.00 2.24 2.11 0.00 3.65 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 2.13 2.28 0.00 125 K 7.99 3.88 0.00 1.90 1.96 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.44 7.81 126 R 7.87 3.87 0.00 2.02 1.94 0.00 3.22 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 127 H 8.35 4.08 0.00 3.24 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.57 3.70 2.02 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 1.52 0.77 0.90 0.00 0.00 129 D 8.22 4.49 0.00 2.80 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 0.00 130 I 7.78 3.87 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.77 0.86 0.00 0.00 131 H 7.82 4.50 0.00 2.94 3.17 0.00 5.88 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00