NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.4497 0.0000 0.0000 62.6265 32.8833 176.3128 5 T 4.1100 7.9520 110.3760 60.5554 71.1912 174.2670 6 I 3.6743 8.3422 121.9588 64.4372 37.4863 179.1953 7 N 4.2239 8.1489 117.2886 57.0668 38.8124 176.4960 8 Q 4.0614 8.6052 119.4931 59.1362 28.7687 179.2904 9 L 3.9960 7.8001 119.5998 57.6854 41.4666 179.4555 10 V 3.5884 7.9954 117.4373 66.7679 31.4627 177.6507 11 R 4.1302 8.3010 117.3801 58.5853 30.0630 178.4392 12 K 4.0908 8.8345 121.7048 57.3589 32.7938 178.5205 13 G 4.0144 7.4010 105.3876 44.7594 0.0000 172.7555 14 R 4.1849 8.1602 117.9632 54.8298 30.8556 176.4361 15 E 3.9785 8.6560 124.0511 55.5771 29.8938 176.2023 16 K 4.0732 8.5321 128.3717 56.1562 32.8402 176.8409 17 V 3.8203 8.1864 119.8295 61.4936 32.1927 175.7200 18 R 4.5583 8.2935 123.0064 54.6383 32.8400 174.0782 19 K 4.6320 8.5242 124.1032 54.8190 34.9115 175.7650 20 K 4.2984 8.3195 121.2080 55.2984 33.2910 176.6060 21 S 4.1945 8.4083 117.3448 58.1094 62.6847 174.9065 22 K 4.1521 8.5488 126.1390 57.6733 31.8668 177.2738 23 V 3.9542 7.2682 119.6561 61.3180 33.4232 173.4951 24 P 4.5688 0.0000 0.0000 61.8159 30.3491 176.8141 25 A 4.1825 7.8535 123.6769 54.9110 19.7748 177.2210 26 L 4.1347 7.2131 116.8312 55.4174 44.9105 174.4463 27 K 4.3763 9.4017 118.0183 55.6721 32.6808 178.1118 28 G 5.0855 7.6472 120.0934 46.9331 0.0000 172.5944 29 A 4.1371 7.4978 123.9545 51.4108 18.9988 176.3079 30 P 4.0824 0.0000 0.0000 64.9165 31.7008 176.5659 31 F 5.4730 7.5461 113.3959 55.1322 43.7239 174.2594 32 R 4.7125 8.4786 119.6677 54.6991 33.1994 174.1136 33 R 4.6755 8.8160 126.4186 56.5305 31.4379 175.0577 34 G 4.1118 8.6120 109.7398 45.3441 0.0000 172.2872 35 V 4.4426 7.9696 123.2552 61.6518 32.9697 175.5666 36 C 4.2664 9.0729 125.6438 60.8930 28.4329 171.9718 37 T 4.3926 8.5439 112.7422 62.5723 68.3401 173.4869 38 V 4.2712 7.9611 120.4509 61.7918 34.0013 174.9782 39 V 4.6021 8.0527 125.5484 61.8677 34.1160 173.9029 40 R 4.6406 8.7077 126.7459 55.5651 34.1124 173.2551 41 T 4.9635 8.5092 119.3814 61.4758 68.4080 174.1049 42 V 4.7065 8.6980 122.2889 59.3775 35.1213 175.3409 43 T 4.3394 8.4560 114.3622 61.1340 69.5846 172.4478 44 P 4.6560 0.0000 0.0000 61.1988 32.4857 178.3899 45 K 4.6108 8.6447 127.6117 56.2096 30.8221 179.3098 46 K 4.0513 8.7461 126.3683 60.2020 32.1248 176.2098 47 P 4.4677 0.0000 0.0000 63.4690 31.7398 175.0471 48 N 5.0706 7.2925 114.3574 51.2655 42.1561 173.4753 49 S 4.3985 8.1097 107.4252 58.8227 64.5171 176.0341 50 A 4.3415 9.1570 125.6241 51.6014 20.6045 175.9484 51 L 3.7365 8.1076 115.6450 57.0927 38.6078 173.5999 52 R 4.4144 8.9307 120.2608 55.5314 32.2330 176.1751 53 K 4.5113 9.0070 122.6133 56.2758 32.9414 175.9472 54 V 4.9902 8.1842 124.3063 61.1877 35.7635 173.8558 55 A 4.8634 8.3064 120.5585 50.7553 23.1796 176.2347 56 K 4.5153 8.4259 122.4448 56.4453 33.8168 176.8123 57 V 4.4321 9.1189 123.9060 61.0616 34.6436 174.3023 58 R 4.2590 8.4675 130.4465 56.2449 30.6495 176.1901 59 L 4.3293 8.5184 126.8064 54.3443 42.5302 177.6172 60 T 3.9896 8.3321 110.8287 64.9163 68.9927 176.5709 61 S 4.3141 8.1667 114.7345 58.2932 62.5613 176.5121 62 G 4.0427 8.2188 109.5532 47.1110 0.0000 176.2730 63 Y 4.0893 7.7358 116.9324 59.7189 37.9868 175.0859 64 E 5.2448 8.3215 121.5404 56.9732 32.2828 177.1757 65 V 4.6900 7.9112 126.6321 61.3683 35.8200 173.8288 66 T 5.0637 8.5053 114.0814 60.6728 70.5626 173.8627 67 A 5.0643 8.9237 124.9277 50.4822 23.2084 174.4926 68 Y 4.7389 8.8593 122.1487 57.2710 40.5806 174.4162 69 I 4.1786 7.8056 127.5379 59.2201 38.2462 174.4422 70 P 4.1953 0.0000 0.0000 62.6615 32.8524 176.5127 71 G 4.0651 8.8018 108.8415 46.0186 0.0000 172.0431 72 E 4.2054 8.6908 117.6890 55.9072 30.1043 177.7354 73 G 4.0156 8.7526 115.2233 45.4278 0.0000 171.3579 74 H 4.6602 7.9836 110.8418 56.0062 30.5663 174.9129 75 N 4.8587 8.6531 119.3725 53.4447 37.7171 173.5960 76 L 4.3936 8.2194 119.0973 54.8577 42.8461 176.1084 77 Q 4.8558 8.3134 123.2308 54.1109 31.7176 176.0949 78 E 4.2565 8.7137 118.6842 58.3076 29.1782 177.7936 79 H 4.8064 8.0935 110.4099 56.4757 32.5795 173.6403 80 S 4.4273 8.0680 117.9502 58.5715 61.9215 174.8741 81 V 4.1707 8.8711 119.5879 60.8512 32.4335 174.9155 82 V 4.5855 7.2378 118.6421 62.1065 34.7773 170.6651 83 L 5.0933 8.0153 120.5991 53.4976 44.3462 175.5447 84 I 4.8555 8.2725 122.5670 60.0607 38.6928 176.5538 85 R 4.2502 9.5543 128.8469 57.3017 30.9864 173.1934 86 G 3.6127 9.1910 113.3671 45.9378 0.0000 173.1430 87 G 4.0406 7.6525 111.6047 44.1770 0.0000 172.0937 88 R 4.0226 8.4396 123.0047 55.7389 30.0914 176.4408 89 V 4.1599 7.9041 115.8592 60.7679 32.8148 175.6728 90 K 4.0853 8.7673 127.9750 59.4222 32.0390 178.1061 91 D 4.4228 7.9307 116.6401 55.4845 41.5132 175.6982 92 L 4.7261 7.8746 119.1039 51.9403 44.3497 174.6875 93 P 4.3028 0.0000 0.0000 63.5077 31.9366 178.1524 94 G 3.9492 8.7167 109.1601 45.9793 0.0000 173.8291 95 V 4.0023 7.5471 120.2888 62.5637 31.1144 175.6126 96 R 4.6278 8.7167 124.9558 55.8227 32.2473 174.6953 97 Y 4.9699 7.7972 116.1677 56.7882 42.6489 174.1821 98 H 5.2548 9.0961 119.2101 54.4914 32.1520 173.1177 99 I 4.8760 7.9256 119.8321 59.2332 39.8346 175.0990 100 V 3.8595 8.4347 130.0291 62.5500 31.6578 176.0273 101 R 4.1275 8.5609 126.9414 56.8787 30.9596 177.5272 102 G 3.9168 8.5452 108.7961 45.5256 0.0000 173.5497 103 V 4.0966 6.8969 119.3599 61.8586 34.4986 175.1802 104 Y 3.6624 8.0085 123.1763 59.3907 36.0391 171.3477 105 D 4.4010 8.3701 121.9116 56.7291 41.1480 176.5664 106 A 4.2526 8.0241 123.8166 50.6801 17.5158 177.0342 107 A 4.3564 8.4960 124.4896 52.6091 19.1110 177.7295 108 G 3.9819 8.2018 107.4923 45.6163 0.0000 172.8849 109 V 4.1897 7.8185 119.7103 62.0317 32.5124 175.5886 110 K 4.3425 8.5961 128.5571 56.7044 33.5674 177.0982 111 D 4.7984 9.0592 124.8501 54.3019 38.8669 174.4637 112 R 4.0319 7.3455 118.7455 56.1892 30.7355 175.2356 113 K 4.3578 8.5223 123.2951 57.9888 33.8127 176.9440 114 K 4.0622 7.7872 116.8343 57.1148 32.0558 177.1916 115 S 3.7700 8.6646 117.9602 59.8894 59.9315 173.3555 116 R 4.1294 7.6779 121.7616 59.3457 31.2197 179.4887 117 S 4.0902 8.4573 112.3045 61.4664 62.2699 176.4837 118 K 3.9911 7.5608 115.4569 58.9854 31.6849 177.5445 119 Y 4.4389 8.2866 115.4732 57.1259 38.0870 176.1426 120 G 3.8135 7.8502 106.0720 46.7784 0.0000 173.9743 121 T 4.4209 7.8313 115.7988 60.9624 69.6758 174.9362 122 K 3.9775 8.5056 128.0896 55.8341 32.8584 176.1623 123 K 3.9530 8.5045 127.0643 55.8329 32.4090 174.9936 124 P 4.4668 0.0000 0.0000 62.1342 32.1322 175.1249 125 K 4.4644 8.1410 119.1602 54.8490 33.9550 175.6015 126 E 3.8907 9.1151 126.2068 59.1054 29.7800 177.0355 127 A 4.0495 7.9461 124.1039 52.6607 18.7019 176.8987 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 4 P 0.00 4.45 0.00 2.19 2.12 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 5 T 7.95 4.11 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 1.21 0.00 0.00 6 I 8.34 3.67 1.87 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 0.53 0.91 0.00 0.00 7 N 8.15 4.22 0.00 2.75 2.82 0.00 0.00 7.16 7.12 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 8 Q 8.61 4.06 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 9 L 7.80 4.00 0.00 1.91 1.71 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.00 3.59 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 0.83 0.00 0.00 0.96 0.00 0.00 11 R 8.30 4.13 0.00 1.78 1.88 0.00 3.21 0.00 0.00 3.15 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 12 K 8.83 4.09 0.00 1.72 1.89 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.45 7.81 13 G 7.40 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 R 8.16 4.18 0.00 1.81 1.87 0.00 3.38 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 15 E 8.66 3.98 0.00 1.92 1.87 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 2.29 2.29 0.00 16 K 8.53 4.07 0.00 1.75 1.71 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.40 7.81 17 V 8.19 3.82 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 0.72 0.00 0.00 0.93 0.00 0.00 18 R 8.29 4.56 0.00 1.70 1.74 0.00 3.18 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 19 K 8.52 4.63 0.00 1.85 1.73 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.34 7.81 20 K 8.32 4.30 0.00 1.76 1.77 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.42 7.81 21 S 8.41 4.19 0.00 3.83 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 22 K 8.55 4.15 0.00 1.70 1.76 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.38 7.81 23 V 7.27 3.95 1.93 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 0.60 0.00 0.00 0.56 0.00 0.00 24 P 0.00 4.57 0.00 1.96 2.01 0.00 3.86 0.00 0.00 3.65 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 25 A 7.85 4.18 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 26 L 7.21 4.13 0.00 1.55 1.51 0.94 0.56 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 27 K 9.40 4.38 0.00 1.76 1.79 0.00 2.00 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.43 7.81 28 G 7.65 5.09 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 0.00 0.00 0.00 29 A 7.50 4.14 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 30 P 0.00 4.08 0.00 1.66 1.77 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 31 F 7.55 5.47 0.00 2.88 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 32 R 8.48 4.71 0.00 1.89 1.71 0.00 3.23 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 33 R 8.82 4.68 0.00 1.98 1.73 0.00 2.71 0.00 0.00 2.78 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.38 0.00 34 G 8.61 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 0.00 0.00 0.00 35 V 7.97 4.44 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 0.97 0.00 0.00 0.89 0.00 0.00 36 C 9.07 4.27 0.00 2.96 2.85 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 37 T 8.54 4.39 4.21 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 1.26 0.00 0.00 38 V 7.96 4.27 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 0.87 0.00 0.00 0.93 0.00 0.00 39 V 8.05 4.60 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 0.94 0.00 0.00 0.95 0.00 0.00 40 R 8.71 4.64 0.00 1.91 1.71 0.00 3.32 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 41 T 8.51 4.96 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 1.24 0.00 0.00 42 V 8.70 4.71 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 0.70 0.00 0.00 0.96 0.00 0.00 43 T 8.46 4.34 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 1.22 0.00 0.00 44 P 0.00 4.66 0.00 1.84 2.34 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 45 K 8.64 4.61 0.00 1.74 1.34 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.57 7.81 46 K 8.75 4.05 0.00 1.71 1.82 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.45 7.81 47 P 0.00 4.47 0.00 2.07 2.07 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 48 N 7.29 5.07 0.00 2.85 2.70 0.00 0.00 6.82 7.57 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 49 S 8.11 4.40 0.00 3.91 3.81 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 50 A 9.16 4.34 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 51 L 8.11 3.74 0.00 1.76 1.70 0.94 0.98 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 52 R 8.93 4.41 0.00 1.80 2.05 0.00 3.19 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.73 0.00 53 K 9.01 4.51 0.00 1.69 1.66 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.55 7.81 54 V 8.18 4.99 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 1.13 0.00 0.00 1.12 0.00 0.00 55 A 8.31 4.86 1.22 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 56 K 8.43 4.52 0.00 1.74 1.89 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.40 7.81 57 V 9.12 4.43 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 0.93 0.00 0.00 0.92 0.00 0.00 58 R 8.47 4.26 0.00 1.88 1.80 0.00 3.13 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 59 L 8.52 4.33 0.00 1.64 1.69 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.33 3.99 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 61 S 8.17 4.31 0.00 4.28 4.21 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 62 G 8.22 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 63 Y 7.74 4.09 0.00 2.92 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 64 E 8.32 5.24 0.00 1.96 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 2.04 2.06 0.00 65 V 7.91 4.69 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 0.95 0.00 0.00 0.67 0.00 0.00 66 T 8.51 5.06 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 1.24 0.00 0.00 67 A 8.92 5.06 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 68 Y 8.86 4.74 0.00 3.07 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 69 I 7.81 4.18 1.70 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.45 0.70 0.00 0.00 70 P 0.00 4.20 0.00 1.79 1.87 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 71 G 8.80 4.07 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 0.00 0.00 0.00 72 E 8.69 4.21 0.00 1.97 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 2.29 2.29 0.00 73 G 8.75 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 0.00 0.00 0.00 74 H 7.98 4.66 0.00 3.21 3.25 0.00 5.53 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.65 4.86 0.00 2.79 2.85 0.00 0.00 5.89 7.79 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 76 L 8.22 4.39 0.00 1.77 1.69 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.31 4.86 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.97 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 78 E 8.71 4.26 0.00 1.91 1.93 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 2.13 2.44 0.00 79 H 8.09 4.81 0.00 3.16 3.22 0.00 5.71 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.07 4.43 0.00 3.90 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 81 V 8.87 4.17 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 0.64 0.00 0.00 0.95 0.00 0.00 82 V 7.24 4.59 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 0.74 0.00 0.00 0.98 0.00 0.00 83 L 8.02 5.09 0.00 1.59 1.60 0.55 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.27 4.86 2.04 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 1.02 1.26 1.10 0.00 0.00 85 R 9.55 4.25 0.00 1.98 2.10 0.00 3.39 0.00 0.00 3.32 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.91 0.00 86 G 9.19 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 7.65 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 88 R 8.44 4.02 0.00 1.97 1.86 0.00 2.91 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 89 V 7.90 4.16 1.93 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 0.62 0.00 0.00 0.75 0.00 0.00 90 K 8.77 4.09 0.00 1.75 1.85 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.37 7.81 91 D 7.93 4.42 0.00 2.56 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 0.00 0.00 0.00 0.00 92 L 7.87 4.73 0.00 1.48 1.49 0.72 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.30 0.00 2.17 1.96 0.00 3.67 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 2.10 2.06 0.00 94 G 8.72 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 95 V 7.55 4.00 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 1.02 0.00 0.00 0.97 0.00 0.00 96 R 8.72 4.63 0.00 1.49 1.37 0.00 3.18 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 97 Y 7.80 4.97 0.00 2.88 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 98 H 9.10 5.25 0.00 3.16 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 7.93 4.88 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.00 0.85 0.00 0.00 100 V 8.43 3.86 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 0.59 0.00 0.00 0.87 0.00 0.00 101 R 8.56 4.13 0.00 1.84 1.80 0.00 3.33 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 102 G 8.55 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 0.00 103 V 6.90 4.10 1.80 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 -0.01 0.00 0.00 0.65 0.00 0.00 104 Y 8.01 3.66 0.00 3.16 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 0.00 105 D 8.37 4.40 0.00 2.98 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 0.00 106 A 8.02 4.25 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 0.00 107 A 8.50 4.36 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.20 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 0.00 109 V 7.82 4.19 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 0.74 0.00 0.00 1.14 0.00 0.00 110 K 8.60 4.34 0.00 1.88 1.64 0.00 1.83 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 111 D 9.06 4.80 0.00 2.88 2.84 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 0.00 112 R 7.35 4.03 0.00 1.72 1.77 0.00 3.04 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.45 0.00 113 K 8.52 4.36 0.00 1.73 1.79 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.35 7.81 114 K 7.79 4.06 0.00 1.70 1.70 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.43 7.81 115 S 8.66 3.77 0.00 4.05 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 0.00 116 R 7.68 4.13 0.00 1.89 2.27 0.00 3.36 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 117 S 8.46 4.09 0.00 3.86 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 0.00 118 K 7.56 3.99 0.00 2.04 1.75 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.51 7.81 119 Y 8.29 4.44 0.00 3.02 2.94 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 0.00 120 G 7.85 3.81 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 0.00 0.00 0.00 121 T 7.83 4.42 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 1.26 0.00 0.00 122 K 8.51 3.98 0.00 1.68 1.70 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.48 7.81 123 K 8.50 3.95 0.00 1.75 1.71 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.46 7.81 124 P 0.00 4.47 0.00 2.07 2.00 0.00 3.66 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 2.02 2.06 0.00 125 K 8.14 4.46 0.00 1.63 1.66 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.48 7.81 126 E 9.12 3.89 0.00 1.99 1.99 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 2.31 2.25 0.00 127 A 7.95 4.05 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