NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.3723 8.4181 114.8088 58.1796 64.5822 173.8411 2 V 3.7873 8.6495 120.0236 64.4087 30.8159 177.0327 3 I 3.7380 8.7707 122.5225 64.4510 37.3285 179.3141 4 E 4.0315 7.9753 118.9495 59.2297 29.2529 178.9419 5 F 4.5111 8.3514 120.7572 61.4090 38.9770 177.2420 6 G 3.5737 8.2084 105.2570 47.7383 0.0000 175.6299 7 K 3.9999 8.1190 120.8073 59.5677 32.0942 179.0160 8 M 3.9650 8.2839 119.1550 58.7639 31.9198 179.0201 9 I 3.5244 7.6343 119.4993 64.4226 37.2137 178.5666 10 Q 4.1128 7.6334 117.9595 58.9511 28.3066 178.7071 11 E 3.9637 8.1941 118.7231 59.6358 29.6453 179.0948 12 E 4.1692 8.4142 117.7900 58.3930 29.6320 178.2878 13 T 4.4791 7.7045 106.6280 60.2259 70.1715 174.2887 14 D 4.5144 7.8930 119.8200 54.9705 39.0658 173.3605 15 K 4.5007 7.6190 117.8066 54.1014 34.4421 175.8327 16 N 4.4168 8.4666 120.0767 53.0727 39.1424 173.8330 17 P 4.3370 0.0000 0.0000 65.6832 31.5776 178.6747 18 L 4.0527 8.5774 119.6296 57.8225 42.1712 179.2011 19 T 4.1871 8.2382 106.9372 64.1743 69.1029 175.4038 20 S 4.6466 8.1139 116.2278 58.7083 63.4641 174.2590 21 Y 4.5819 8.0716 114.0225 57.4112 39.2921 175.8407 22 S 4.4691 7.8838 115.1729 58.6204 63.2582 175.0903 23 F 5.0361 7.6844 116.8798 56.7271 41.2300 173.6765 24 Y 4.3932 8.2066 123.4588 58.7323 40.0170 176.0282 25 G 3.3104 7.3389 115.7193 47.2559 0.0000 173.7008 26 C 4.6421 8.8598 115.4697 57.6999 41.3016 174.4257 27 H 4.9944 8.8290 114.3665 55.5031 29.8974 173.5872 28 C 4.7526 8.0455 117.2122 57.4712 41.9664 174.0055 29 G 3.9257 8.2302 111.3683 47.3554 0.0000 176.7902 30 L 4.2231 8.7491 124.4149 56.2771 41.8888 177.4350 31 G 4.1154 7.5929 105.4834 45.6358 0.0000 173.3427 32 N 5.0861 8.5416 115.3411 52.4002 40.1727 174.1364 33 K 4.5961 7.9356 117.6837 56.0126 35.4052 175.3689 34 G 3.9448 8.7473 106.3408 44.2344 0.0000 173.2020 35 K 4.0831 8.2386 120.7040 54.9644 32.7451 175.2324 36 P 4.6015 0.0000 0.0000 62.4951 31.9339 176.9013 37 K 3.8368 9.1246 122.0471 59.1881 32.3050 176.4572 38 D 4.4711 7.5368 115.5440 51.4250 41.9096 175.2931 39 A 4.0349 8.7850 119.8711 56.1834 17.9089 179.9117 40 T 4.0035 8.0370 113.4448 66.9550 68.6200 176.2969 41 D 4.5253 8.7568 119.9211 57.2842 41.1086 178.2511 42 R 4.0770 8.1065 119.5206 59.3595 30.0765 177.6925 43 C 4.2787 8.3926 116.6111 60.1838 40.0049 175.5243 44 C 4.4689 8.2435 118.2977 59.9724 35.6124 175.8756 45 F 4.0935 8.3829 122.2733 61.4967 39.0172 177.6731 46 V 3.2820 8.2811 112.2835 64.1971 31.2027 178.0639 47 H 3.9597 8.1359 118.3205 59.1141 29.5100 177.5656 48 S 3.9036 7.9054 117.0743 61.5030 62.6952 175.9118 49 C 4.0507 7.5765 119.1645 60.0447 39.6763 175.2320 50 C 4.0748 8.1173 119.0635 60.0990 38.4217 175.1011 51 Y 4.1031 8.0909 118.0704 60.6159 37.2119 178.1648 52 A 3.9765 8.2406 122.4077 55.2304 18.3291 179.7352 53 K 3.9042 7.7431 115.3300 58.4776 32.2878 177.6811 54 L 4.7028 7.3726 119.2964 53.9406 42.3592 178.6331 55 S 3.9832 7.8146 116.3218 61.7528 62.3622 175.2689 56 D 4.7421 8.0015 116.0635 55.2084 40.3901 177.1285 57 C 4.6054 8.1711 116.3218 55.9570 42.5577 173.6110 58 S 3.5744 7.5286 114.4872 58.6697 60.8019 172.4530 59 P 3.8315 0.0000 0.0000 65.6633 31.7809 179.1711 60 K 4.0047 8.0484 118.8549 58.9731 32.2912 178.0286 61 T 4.4187 7.5931 105.9313 61.7168 69.9680 173.8158 62 N 4.4610 8.1015 121.2285 52.9986 38.4164 174.7223 63 R 4.2633 8.3498 125.5137 56.4783 30.8725 175.6045 64 Y 4.9830 7.9901 117.5251 55.9165 41.4385 173.0719 65 E 5.0999 8.7901 119.4758 55.2575 32.0024 174.9717 66 Y 5.5548 8.3219 119.6056 56.7728 41.4896 173.2028 67 H 4.7343 8.8687 114.8196 55.1722 32.2291 171.9717 68 R 5.7763 8.5024 115.6854 54.1070 33.5298 176.3461 69 E 4.4267 8.2340 120.1240 55.2441 30.9324 175.4911 70 N 4.1210 9.4130 124.8103 54.2025 35.6995 175.3012 71 G 4.0412 8.5639 106.7270 45.1716 0.0000 174.0588 72 A 4.3844 7.4892 121.7378 51.2733 19.9736 177.0910 73 I 4.3972 8.3234 122.8078 61.2664 38.3183 175.6633 74 V 4.3795 8.8672 126.8056 61.0358 34.3608 173.7559 75 C 4.7456 9.0429 126.0753 56.2310 40.7262 174.5082 76 G 4.2786 8.6730 114.2418 46.3369 0.0000 173.0738 77 S 5.0448 8.0708 114.0575 56.3599 66.5409 175.1481 78 S 4.2715 8.6634 117.3509 61.2777 63.7224 175.5580 79 T 3.7954 7.9639 118.6588 63.2435 69.0062 172.4874 80 P 4.2224 0.0000 0.0000 66.1588 31.4044 179.2695 81 C 4.2768 8.0811 114.4511 60.0241 35.2434 176.2153 82 K 3.8803 7.8729 119.5746 58.9466 31.5823 179.2937 83 K 3.7979 8.0781 120.1293 59.5505 32.1723 178.9184 84 Q 3.8999 7.9648 118.5539 58.9570 28.6661 178.9475 85 I 3.7205 7.6349 114.1166 63.9272 37.4938 177.5291 86 C 3.6803 7.3162 121.7103 58.6122 44.2539 175.2356 87 E 3.7928 8.1456 120.4108 59.5406 29.1261 178.5357 88 C 4.1158 8.0558 116.3398 60.2744 41.4279 175.8285 89 D 4.1182 8.0719 120.0887 57.3869 40.4049 178.9568 90 R 3.7570 8.2579 119.0236 59.5540 30.1133 178.3489 91 A 3.8701 8.1177 120.2908 55.0294 18.2698 179.5824 92 A 3.4722 7.7204 118.7948 55.0032 18.4395 179.6714 93 A 3.7208 7.8810 119.2511 55.3095 18.4839 179.9178 94 I 3.5698 7.7481 118.3632 64.5232 36.9426 177.6115 95 C 4.0775 7.8181 118.1143 59.8277 37.8077 175.3335 96 F 4.6679 7.9875 119.4006 60.7843 38.6181 177.7047 97 R 3.9549 8.1897 118.2007 59.5150 29.7606 178.2135 98 E 4.2603 8.6628 116.7075 58.0710 29.7341 177.3216 99 N 5.0835 7.6894 115.5679 52.8547 39.5984 176.4426 100 L 4.1929 8.0797 122.1400 57.5876 41.8337 179.7204 101 K 4.0333 8.2516 117.1099 59.2565 32.4256 177.5013 102 T 4.5347 7.6268 107.0938 61.0519 69.0458 173.5387 103 Y 3.9448 8.0251 124.5371 58.1801 39.2467 174.4704 104 N 4.8760 8.6232 125.6751 51.3451 40.5492 175.0995 105 K 3.9639 8.6293 126.4845 59.0764 32.3866 179.4327 106 K 3.9291 7.9330 117.3782 59.1719 32.6787 177.3088 107 Y 4.5193 7.3851 116.4771 57.7711 38.4560 177.3694 108 K 3.9785 7.4302 120.2327 59.1178 32.7142 177.5958 109 V 4.7483 7.2968 113.5626 59.8826 30.9745 174.9175 110 Y 4.0213 7.9018 120.4705 58.2917 39.6933 175.7142 111 L 3.8886 7.5453 126.6489 54.3251 41.0813 177.8598 112 R 3.8937 8.3449 124.6372 58.5921 30.2535 179.3427 113 F 4.3583 7.7575 111.7532 59.0952 37.9453 176.3937 114 K 3.9212 6.9031 119.9239 58.0896 31.8843 176.4142 115 C 4.4811 7.9334 116.5827 57.0091 40.4483 172.9322 116 K 4.5643 8.5845 123.8740 55.2619 34.9637 176.1991 117 G 4.1300 8.7801 105.2699 44.7524 0.0000 172.3583 118 V 4.4966 7.7105 110.8411 59.1972 34.2374 176.2813 119 S 4.2462 8.3675 118.2517 57.2004 64.0135 173.1447 120 E 4.1496 7.6007 120.5785 55.8084 29.9879 176.4039 121 K 4.4409 8.2206 120.3368 55.9486 33.2300 177.1378 122 C 4.5140 8.7153 120.3947 57.3834 41.1825 173.6805 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 8.42 5.37 0.00 4.12 4.12 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 2 V 8.65 3.79 2.21 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 0.85 0.00 0.00 1.09 0.00 0.00 3 I 8.77 3.74 1.84 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 1.53 0.81 0.91 0.00 0.00 4 E 7.98 4.03 0.00 1.72 1.74 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 1.47 2.30 0.00 5 F 8.35 4.51 0.00 3.29 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 6 G 8.21 3.57 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 0.00 7 K 8.12 4.00 0.00 2.17 2.05 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.68 7.81 8 M 8.28 3.96 0.00 1.94 2.36 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 9 I 7.63 3.52 1.56 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 1.14 0.46 0.41 0.00 0.00 10 Q 7.63 4.11 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 11 E 8.19 3.96 0.00 2.08 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 2.39 2.64 0.00 12 E 8.41 4.17 0.00 1.94 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 2.46 2.41 0.00 13 T 7.70 4.48 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 1.15 0.00 0.00 14 D 7.89 4.51 0.00 2.86 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 15 K 7.62 4.50 0.00 1.85 1.66 0.00 1.48 0.00 0.00 1.02 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.40 7.81 16 N 8.47 4.42 0.00 2.73 2.73 0.00 0.00 7.01 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 17 P 0.00 4.34 0.00 2.17 1.96 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.02 0.00 18 L 8.58 4.05 0.00 1.80 1.91 1.06 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.24 4.19 4.31 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 1.27 0.00 0.00 20 S 8.11 4.65 0.00 3.87 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 21 Y 8.07 4.58 0.00 2.79 2.53 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 22 S 7.88 4.47 0.00 3.51 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 23 F 7.68 5.04 0.00 3.32 3.06 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 24 Y 8.21 4.39 0.00 3.01 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 25 G 7.34 3.31 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 0.00 26 C 8.86 4.64 0.00 3.05 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 27 H 8.83 4.99 0.00 3.51 3.47 0.00 5.65 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 28 C 8.05 4.75 0.00 3.35 3.39 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 29 G 8.23 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 30 L 8.75 4.22 0.00 1.69 1.80 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.59 4.12 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 0.00 0.00 0.00 32 N 8.54 5.09 0.00 2.88 2.93 0.00 0.00 5.88 7.13 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 33 K 7.94 4.60 0.00 1.87 1.83 0.00 1.58 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.41 7.81 34 G 8.75 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 0.00 0.00 0.00 35 K 8.24 4.08 0.00 1.69 1.66 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.31 7.81 36 P 0.00 4.60 0.00 1.99 1.95 0.00 3.54 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 37 K 9.12 3.84 0.00 0.80 0.74 0.00 0.88 0.00 0.00 0.61 0.00 0.00 2.69 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.07 0.48 7.81 38 D 7.54 4.47 0.00 2.90 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 39 A 8.79 4.03 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 40 T 8.04 4.00 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 0.62 0.00 0.00 41 D 8.76 4.53 0.00 3.01 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 42 R 8.11 4.08 0.00 2.08 2.07 0.00 3.07 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 1.72 1.74 0.00 43 C 8.39 4.28 0.00 3.51 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 44 C 8.24 4.47 0.00 3.37 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.38 4.09 0.00 2.91 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 46 V 8.28 3.28 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 0.87 0.00 0.00 0.84 0.00 0.00 47 H 8.14 3.96 0.00 3.09 3.36 0.00 5.78 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 48 S 7.91 3.90 0.00 3.89 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 49 C 7.58 4.05 0.00 2.82 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 50 C 8.12 4.07 0.00 2.88 3.06 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 51 Y 8.09 4.10 0.00 3.03 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 52 A 8.24 3.98 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 53 K 7.74 3.90 0.00 1.87 1.86 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.45 7.81 54 L 7.37 4.70 0.00 1.50 1.52 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.81 3.98 0.00 3.93 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 56 D 8.00 4.74 0.00 2.68 2.66 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 57 C 8.17 4.61 0.00 3.00 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 58 S 7.53 3.57 0.00 4.02 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 59 P 0.00 3.83 0.00 1.11 0.58 0.00 3.38 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 1.72 1.86 0.00 60 K 8.05 4.00 0.00 1.82 1.79 0.00 1.76 0.00 0.00 1.90 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.48 7.81 61 T 7.59 4.42 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 1.22 0.00 0.00 62 N 8.10 4.46 0.00 2.89 2.82 0.00 0.00 7.19 7.21 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 63 R 8.35 4.26 0.00 1.85 1.81 0.00 3.37 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 64 Y 7.99 4.98 0.00 3.16 3.08 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 65 E 8.79 5.10 0.00 2.02 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 2.33 2.43 0.00 66 Y 8.32 5.55 0.00 3.14 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 67 H 8.87 4.73 0.00 3.27 3.41 0.00 5.39 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.50 5.78 0.00 1.71 1.87 0.00 3.25 0.00 0.00 4.01 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 69 E 8.23 4.43 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 2.35 2.35 0.00 70 N 9.41 4.12 0.00 2.89 2.93 0.00 0.00 7.38 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 71 G 8.56 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.49 4.38 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 73 I 8.32 4.40 1.84 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 1.29 0.61 0.84 0.00 0.00 74 V 8.87 4.38 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 1.00 0.00 0.00 0.97 0.00 0.00 75 C 9.04 4.75 0.00 2.96 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 76 G 8.67 4.28 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 77 S 8.07 5.04 0.00 3.85 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 78 S 8.66 4.27 0.00 3.98 3.99 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 79 T 7.96 3.80 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 80 P 0.00 4.22 0.00 2.13 2.10 0.00 3.58 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 2.10 2.19 0.00 81 C 8.08 4.28 0.00 2.94 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 82 K 7.87 3.88 0.00 1.94 1.91 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.82 1.53 7.81 83 K 8.08 3.80 0.00 1.89 1.73 0.00 1.61 0.00 0.00 1.58 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.59 7.81 84 Q 7.96 3.90 0.00 2.18 2.06 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 2.52 2.46 0.00 85 I 7.63 3.72 1.77 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 1.58 0.70 0.75 0.00 0.00 86 C 7.32 3.68 0.00 1.23 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 87 E 8.15 3.79 0.00 2.11 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 2.48 2.43 0.00 88 C 8.06 4.12 0.00 3.29 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 89 D 8.07 4.12 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.26 3.76 0.00 1.93 2.01 0.00 3.27 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 1.56 1.57 0.00 91 A 8.12 3.87 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 92 A 7.72 3.47 1.12 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 0.00 0.00 93 A 7.88 3.72 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 94 I 7.75 3.57 1.79 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 1.37 0.44 0.87 0.00 0.00 95 C 7.82 4.08 0.00 2.95 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 96 F 7.99 4.67 0.00 2.94 2.77 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 97 R 8.19 3.95 0.00 2.08 2.06 0.00 3.10 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 98 E 8.66 4.26 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 2.35 2.35 0.00 99 N 7.69 5.08 0.00 3.02 2.86 0.00 0.00 6.84 6.92 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 0.00 100 L 8.08 4.19 0.00 1.79 1.76 0.93 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.25 4.03 0.00 1.89 1.99 0.00 1.55 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.48 7.81 102 T 7.63 4.53 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 1.26 0.00 0.00 103 Y 8.03 3.94 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 0.00 104 N 8.62 4.88 0.00 2.59 2.24 0.00 0.00 6.85 7.86 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 0.00 105 K 8.63 3.96 0.00 1.84 1.85 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.64 7.81 106 K 7.93 3.93 0.00 1.69 1.73 0.00 1.11 0.00 0.00 1.41 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 1.14 7.81 107 Y 7.39 4.52 0.00 1.79 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 0.00 0.00 0.00 108 K 7.43 3.98 0.00 1.99 1.97 0.00 1.71 0.00 0.00 1.98 0.00 0.00 3.19 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.69 1.61 7.81 109 V 7.30 4.75 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 0.70 0.00 0.00 0.75 0.00 0.00 110 Y 7.90 4.02 0.00 2.98 3.06 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 0.00 111 L 7.55 3.89 0.00 1.08 0.58 0.82 0.89 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 R 8.34 3.89 0.00 1.88 2.01 0.00 3.21 0.00 0.00 3.46 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 113 F 7.76 4.36 0.00 3.08 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 0.00 114 K 6.90 3.92 0.00 1.18 1.73 0.00 1.16 0.00 0.00 0.82 0.00 0.00 2.46 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 0.83 7.81 115 C 7.93 4.48 0.00 3.12 3.22 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 0.00 116 K 8.58 4.56 0.00 1.96 1.91 0.00 1.35 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.68 7.81 117 G 8.78 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 0.00 0.00 0.00 0.00 118 V 7.71 4.50 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 0.82 0.00 0.00 0.92 0.00 0.00 119 S 8.37 4.25 0.00 3.43 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 0.00 120 E 7.60 4.15 0.00 1.80 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 2.22 2.07 0.00 121 K 8.22 4.44 0.00 1.75 1.75 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.49 7.81 122 C 8.72 4.51 0.00 2.98 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