NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1192 8.1633 120.5624 54.7764 34.3165 174.5342 2 F 4.8866 7.4474 116.7094 55.1484 42.8735 172.1311 3 N 5.2867 8.9526 119.6150 51.6605 41.1522 173.6072 4 V 5.1897 8.9003 124.3065 61.2107 34.2145 174.3732 5 V 5.0530 9.3480 127.6987 61.2484 34.4653 173.8463 6 L 5.1895 9.1754 128.8098 53.1649 43.8319 175.8507 7 V 4.2098 8.9706 125.8605 61.4434 31.6982 176.0787 8 E 4.3718 9.0733 130.7366 55.6469 27.4670 173.6602 9 P 4.5762 0.0000 0.0000 63.0635 32.8829 177.3119 10 E 4.3814 8.9481 118.9847 57.7887 31.0385 176.5459 11 I 4.1580 7.4558 120.5585 59.2633 38.2197 174.3175 12 P 2.9700 0.0000 0.0000 64.9471 31.1540 176.9167 13 P 4.2025 0.0000 0.0000 65.3589 31.1541 178.4344 14 N 4.2870 7.6992 115.8530 56.3791 38.0699 177.5979 15 T 4.0019 7.7519 116.9134 66.5276 68.6974 177.0103 16 G 4.0303 7.9902 107.3144 48.3481 0.0000 175.2983 17 N 4.3847 8.0970 119.4100 55.4558 38.4085 177.9484 18 V 3.5113 7.7538 119.8477 65.8413 31.7508 177.7759 19 I 3.6633 8.7201 120.6119 64.8453 37.1780 178.3280 20 R 3.9217 7.9784 119.0098 59.2838 29.6392 178.2818 21 L 4.0572 7.7083 119.5165 58.0033 42.2649 178.5072 22 C 4.1939 8.3328 116.9824 62.4665 28.2160 175.5623 23 A 3.9609 7.7581 121.9041 55.4865 17.8136 179.3356 24 N 4.6414 7.9281 112.2168 55.1915 38.7470 175.8998 25 T 3.7132 7.1305 106.5754 60.1099 70.0784 174.9718 26 G 3.6598 8.5283 110.5157 45.3763 0.0000 173.2231 27 A 4.4674 7.3460 120.2285 51.2127 19.8589 177.7997 28 R 4.5685 8.9044 120.0409 55.1031 32.3837 175.2479 29 L 5.2086 8.6748 124.7506 53.6436 44.8608 174.6348 30 H 5.5556 9.3138 122.7891 54.0428 32.2809 172.4157 31 L 5.2209 9.0068 123.1192 53.0280 44.6325 175.4189 32 I 4.7764 8.9440 125.0807 59.4443 38.8729 175.4516 33 E 4.5675 9.0746 127.9074 55.6202 30.5080 175.3094 34 P 4.5532 0.0000 0.0000 62.5065 33.1300 175.7953 35 L 4.3285 8.2898 121.6083 54.1409 42.6059 177.6227 36 G 4.1621 8.2418 109.6303 45.8008 0.0000 173.5177 37 F 4.8426 6.4698 111.7296 54.8244 40.7330 172.2866 38 P 4.3711 0.0000 0.0000 62.7679 31.7899 176.3321 39 L 4.5713 8.1256 121.2821 54.0540 43.3641 176.4861 40 D 4.6219 8.3224 131.3340 53.3040 40.8216 178.2658 *56 Q 4.0855 7.6421 120.2971 56.2767 30.5645 173.8627 57 M 5.3273 8.3805 125.1254 53.9751 35.9595 174.2625 58 R 4.5674 9.1137 125.0600 55.1519 34.0771 173.5780 59 V 4.6102 8.4012 126.3748 62.1081 32.9442 174.4887 60 H 5.0653 9.4543 124.2449 54.0518 32.0006 175.0446 61 R 4.1145 8.8417 120.9087 59.1686 30.7124 175.4719 62 D 4.5820 7.3592 114.7300 51.5482 41.8689 175.6802 63 W 4.2269 8.7197 127.4469 60.9248 30.5991 177.9759 64 D 4.3094 8.3812 118.2675 57.1455 40.2309 178.4134 65 A 3.9401 8.3084 121.5843 54.9704 18.2751 179.4964 66 F 3.7558 7.8758 118.9822 61.1980 39.4441 177.6994 67 V 2.6649 7.4950 117.9564 65.2007 30.9426 178.0614 68 A 3.7476 7.5789 119.9999 55.1177 18.4147 179.2200 69 A 4.0138 7.8223 117.9973 54.3645 18.6049 178.7306 70 E 4.1104 7.6559 114.9217 55.1483 31.9132 176.1629 71 A 3.4893 7.0947 121.0587 52.0912 16.4206 174.7611 72 P 3.8471 0.0000 0.0000 61.7603 32.5125 176.5034 73 D 4.3972 8.4467 119.7639 53.3448 41.1973 175.3342 74 P 4.2574 0.0000 0.0000 65.4019 31.5377 178.3618 75 A 4.1061 7.9516 119.3882 54.0217 18.5418 177.9353 76 R 4.6296 8.3807 114.0490 55.8819 32.1116 174.6516 77 M 5.1895 7.4965 118.9218 53.9469 33.7872 175.0504 78 F 5.2841 9.6474 125.0506 55.6640 42.4550 174.1674 79 A 4.7342 8.6779 124.6031 50.0659 21.7177 175.7102 80 F 4.8415 8.3471 120.5891 56.4204 39.5404 175.2257 81 T 4.7070 8.5242 117.6448 60.9464 70.2035 173.6334 82 T 4.2102 8.7295 120.3376 62.4953 67.0559 174.1971 83 R 4.3492 7.7128 122.2443 56.2553 31.0143 176.3342 84 G 3.8134 8.9249 113.1008 46.3214 0.0000 172.7725 85 S 4.9180 7.4099 110.5947 56.4003 65.8960 173.6894 86 G 4.1645 8.1782 108.0505 44.6232 0.0000 172.4827 87 R 4.6320 8.3779 118.7011 55.8420 30.6316 177.8818 88 F 4.1983 9.4379 127.2232 61.9000 39.4696 176.5913 89 H 4.3763 8.3252 114.3040 57.4320 28.6316 175.4852 90 D 4.5951 7.8366 118.5807 54.5631 41.1919 176.4039 91 R 4.3130 7.1179 117.7054 53.8999 32.4572 175.2443 92 A 4.3129 7.7122 123.0595 50.9460 20.0641 176.9481 93 F 5.2526 8.7399 120.6556 55.6861 42.6439 174.6986 94 E 5.0214 9.7299 121.5633 53.7259 33.1630 174.0932 95 P 4.0569 0.0000 0.0000 63.9839 31.8411 176.9171 96 G 3.6929 9.9114 109.2321 45.8543 0.0000 173.6466 97 D 4.8115 7.9568 119.0689 54.0469 42.3381 175.1878 98 W 5.0783 9.2398 121.0219 55.0581 32.0292 175.1655 99 F 5.5360 9.3465 122.4328 56.0029 42.0876 174.0153 100 V 4.8299 9.2604 125.2370 61.1618 33.4903 174.3517 101 F 5.1597 9.4094 127.0655 55.6592 42.1216 175.6909 102 G 4.3426 8.8041 110.0281 44.6749 0.0000 173.0689 103 A 4.2674 8.5478 122.2935 52.0494 18.8113 178.5364 104 E 3.8966 8.8112 121.5894 59.2755 29.8547 178.3693 105 T 4.2393 7.6898 114.4548 66.0684 69.3344 176.3026 106 R 3.9456 7.9771 119.4389 58.1334 30.7072 178.2937 107 G 3.8271 8.0942 105.3978 44.6488 0.0000 171.8974 108 L 4.1188 8.3798 119.5637 53.7717 42.5299 177.1492 109 A 3.9817 8.6556 124.8501 52.4121 19.8557 176.6423 110 P 4.1928 0.0000 0.0000 65.4857 31.2768 179.0355 111 A 3.9313 7.9092 118.5419 54.8190 18.4313 178.9941 112 L 3.8434 7.5176 118.2467 58.1057 42.3446 178.6761 113 V 3.5939 7.7069 118.1531 66.4586 31.1259 177.4507 114 D 4.4712 8.1740 116.8845 56.2328 40.6944 177.1552 115 R 4.2809 7.9280 117.5094 55.9090 30.5864 175.9043 116 F 4.5917 8.0802 117.9362 55.0941 41.0822 175.5520 117 A 4.2388 8.4727 128.1142 51.2414 19.3621 176.2923 118 P 4.2303 0.0000 0.0000 66.0424 31.4654 178.4227 119 E 4.2712 8.1874 114.3331 58.2114 29.7709 177.1761 120 Q 4.8251 8.8493 118.0805 55.5238 30.7234 174.6264 121 R 4.9769 8.0531 119.7384 54.6807 32.4467 175.7992 122 V 5.1227 8.6394 116.5663 59.8528 36.5711 174.5658 123 R 5.2004 8.9786 118.1709 54.7742 33.2364 174.0517 124 L 4.6869 8.6752 120.8936 53.6865 42.4518 175.3399 125 P 4.4029 0.0000 0.0000 63.7073 31.9066 175.3677 126 M 4.8093 8.0305 119.1248 53.9168 36.0248 174.8729 127 R 4.0797 8.3693 120.2819 55.3700 30.7840 175.3159 128 P 4.3797 0.0000 0.0000 61.8629 31.6731 176.8997 129 G 4.7495 7.4336 120.2489 46.3908 0.0000 171.7110 130 N 5.0320 7.3276 117.5912 50.3682 42.4952 173.9115 131 R 4.2591 8.2404 120.5670 55.3452 30.9413 176.6691 132 S 4.3440 8.2485 114.0723 57.6828 63.7620 174.2947 133 L 3.9653 8.3962 123.5254 54.6595 42.1583 177.0327 134 N 4.4765 8.7850 120.1134 54.3918 40.4235 175.4081 135 L 3.7945 10.2136 128.8981 58.3522 42.1677 179.4349 136 S 3.9569 7.9751 112.5495 61.3573 62.3316 175.7703 137 N 4.2877 7.9813 118.8346 56.3195 38.2567 177.6573 138 T 3.6798 7.5379 117.2328 66.4517 68.4482 177.0353 139 V 2.7690 7.6278 120.2757 65.5723 31.4607 177.7837 140 A 4.0209 8.0587 120.9124 55.3791 18.2212 179.8435 141 V 3.6166 7.7468 116.6419 65.8492 31.5166 178.5886 142 V 2.8532 7.2518 117.7055 65.7426 31.2598 178.2858 143 V 3.2377 7.6920 118.1591 65.9297 31.3380 178.0409 144 F 4.3297 8.3856 117.6834 60.4652 38.6703 177.3686 145 E 4.1474 8.5185 118.9953 59.2139 29.4760 178.7306 146 A 4.0780 8.0177 121.0168 54.7659 18.2428 179.4272 147 W 4.6409 8.3337 127.2110 60.5662 30.7735 178.0885 148 R 2.5100 8.1272 118.7365 59.2668 29.2947 178.6217 149 Q 4.0439 7.7701 115.5958 58.1320 28.8515 177.5718 150 A 4.6956 7.7894 120.0184 51.2693 18.8894 178.0058 151 G 3.7314 7.6136 105.7628 45.9281 0.0000 174.1196 152 F 2.5421 7.7465 116.5229 57.2297 37.0443 175.5646 153 E 4.2242 7.7202 117.8574 58.2406 29.6631 178.2122 154 G 4.0634 9.4575 112.0056 45.1994 0.0000 172.3581 155 G 4.2831 9.0641 107.1051 42.8027 0.0000 173.3159 156 A 3.9734 8.4581 120.6471 52.4017 19.0134 176.7860 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 8.16 4.12 0.00 1.55 1.77 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.20 0.00 2 F 7.45 4.89 0.00 3.24 3.16 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 0.00 3 N 8.95 5.29 0.00 1.91 2.40 0.00 0.00 6.61 7.66 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 4 V 8.90 5.19 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 1.04 0.00 0.00 1.06 0.00 0.00 5 V 9.35 5.05 2.29 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 0.81 0.00 0.00 1.24 0.00 0.00 6 L 9.18 5.19 0.00 1.69 1.66 0.97 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.97 4.21 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 0.82 0.00 0.00 1.10 0.00 0.00 8 E 9.07 4.37 0.00 2.09 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 2.49 2.30 0.00 9 P 0.00 4.58 0.00 2.53 2.31 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 10 E 8.95 4.38 0.00 2.03 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 2.29 2.52 0.00 11 I 7.46 4.16 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.77 0.82 0.00 0.00 12 P 0.00 2.97 0.00 1.87 1.66 0.00 3.41 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 13 P 0.00 4.20 0.00 2.05 2.02 0.00 3.37 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 14 N 7.70 4.29 0.00 2.75 2.79 0.00 0.00 6.89 6.90 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 15 T 7.75 4.00 4.38 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 1.34 0.00 0.00 16 G 7.99 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.10 4.38 0.00 2.86 2.82 0.00 0.00 6.77 7.15 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 18 V 7.75 3.51 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 1.06 0.00 0.00 0.82 0.00 0.00 19 I 8.72 3.66 2.09 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 1.42 1.01 0.91 0.00 0.00 20 R 7.98 3.92 0.00 1.93 2.07 0.00 3.16 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 21 L 7.71 4.06 0.00 1.69 1.79 1.09 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.33 4.19 0.00 3.14 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 23 A 7.76 3.96 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 24 N 7.93 4.64 0.00 2.81 2.99 0.00 0.00 6.88 6.82 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 25 T 7.13 3.71 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 0.69 0.00 0.00 26 G 8.53 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 27 A 7.35 4.47 1.20 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 0.00 0.00 28 R 8.90 4.57 0.00 1.80 1.83 0.00 3.04 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 29 L 8.67 5.21 0.00 1.76 1.50 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 30 H 9.31 5.56 0.00 3.26 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 9.01 5.22 0.00 1.60 1.57 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.94 4.78 1.99 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.03 1.06 0.00 0.00 33 E 9.07 4.57 0.00 2.16 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 2.30 2.24 0.00 34 P 0.00 4.55 0.00 2.09 2.16 0.00 3.71 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 2.07 2.00 0.00 35 L 8.29 4.33 0.00 1.36 0.66 0.69 0.90 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 36 G 8.24 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 0.00 0.00 0.00 0.00 37 F 6.47 4.84 0.00 3.20 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 38 P 0.00 4.37 0.00 2.25 2.13 0.00 3.88 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 39 L 8.13 4.57 0.00 1.56 1.59 1.17 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.32 4.62 0.00 2.71 2.64 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 *56 Q 7.64 4.09 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 57 M 8.38 5.33 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 58 R 9.11 4.57 0.00 1.83 1.65 0.00 3.13 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.44 0.00 59 V 8.40 4.61 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 0.88 0.00 0.00 0.92 0.00 0.00 60 H 9.45 5.07 0.00 3.20 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.84 4.11 0.00 1.80 1.99 0.00 3.29 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 62 D 7.36 4.58 0.00 3.00 2.81 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 63 W 8.72 4.23 0.00 3.60 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 64 D 8.38 4.31 0.00 2.77 2.71 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 0.00 0.00 0.00 0.00 65 A 8.31 3.94 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.88 3.76 0.00 2.69 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 67 V 7.49 2.66 1.92 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 0.72 0.00 0.00 0.36 0.00 0.00 68 A 7.58 3.75 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 69 A 7.82 4.01 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 70 E 7.66 4.11 0.00 1.16 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 71 A 7.09 3.49 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 72 P 0.00 3.85 0.00 1.39 0.49 0.00 3.04 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.00 0.00 73 D 8.45 4.40 0.00 2.74 2.67 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 0.00 0.00 0.00 0.00 74 P 0.00 4.26 0.00 2.12 1.96 0.00 3.57 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 2.01 1.95 0.00 75 A 7.95 4.11 1.27 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 0.00 0.00 76 R 8.38 4.63 0.00 1.94 2.28 0.00 3.34 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 77 M 7.50 5.19 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 3.03 0.00 78 F 9.65 5.28 0.00 3.09 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 79 A 8.68 4.73 0.02 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 80 F 8.35 4.84 0.00 2.87 3.01 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 81 T 8.52 4.71 4.17 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 0.00 0.00 0.00 1.20 0.00 0.00 82 T 8.73 4.21 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 83 R 7.71 4.35 0.00 1.89 1.77 0.00 3.25 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 84 G 8.92 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 85 S 7.41 4.92 0.00 3.91 3.88 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 86 G 8.18 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 0.00 0.00 0.00 0.00 87 R 8.38 4.63 0.00 2.02 1.97 0.00 3.20 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 88 F 9.44 4.20 0.00 3.15 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 89 H 8.33 4.38 0.00 3.23 3.38 0.00 5.94 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 90 D 7.84 4.60 0.00 2.83 2.67 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 0.00 0.00 0.00 0.00 91 R 7.12 4.31 0.00 0.98 1.29 0.00 3.27 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 92 A 7.71 4.31 1.08 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 93 F 8.74 5.25 0.00 3.07 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 94 E 9.73 5.02 0.00 2.11 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 0.00 2.30 2.36 0.00 95 P 0.00 4.06 0.00 1.93 1.69 0.00 3.80 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 2.03 2.10 0.00 96 G 9.91 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 97 D 7.96 4.81 0.00 2.75 2.35 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 98 W 9.24 5.08 0.00 3.28 3.24 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 99 F 9.35 5.54 0.00 3.31 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 0.00 100 V 9.26 4.83 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 1.14 0.00 0.00 1.42 0.00 0.00 101 F 9.41 5.16 0.00 3.03 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 0.00 102 G 8.80 4.34 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 0.00 103 A 8.55 4.27 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 0.00 104 E 8.81 3.90 0.00 1.93 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 0.00 2.28 2.32 0.00 105 T 7.69 4.24 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 0.00 106 R 7.98 3.95 0.00 1.81 1.99 0.00 3.44 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 107 G 8.09 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 0.00 108 L 8.38 4.12 0.00 1.58 1.52 0.68 0.68 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 0.00 109 A 8.66 3.98 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 0.00 110 P 0.00 4.19 0.00 2.16 2.10 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 111 A 7.91 3.93 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 L 7.52 3.84 0.00 1.58 1.50 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.71 3.59 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 1.07 0.00 0.00 0.86 0.00 0.00 114 D 8.17 4.47 0.00 2.89 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 0.00 115 R 7.93 4.28 0.00 1.61 1.73 0.00 2.70 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 116 F 8.08 4.59 0.00 3.12 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 0.00 117 A 8.47 4.24 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 0.00 118 P 0.00 4.23 0.00 2.21 2.18 0.00 3.62 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 2.14 2.18 0.00 119 E 8.19 4.27 0.00 1.99 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 0.00 2.34 2.42 0.00 120 Q 8.85 4.83 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 121 R 8.05 4.98 0.00 2.02 1.82 0.00 3.26 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 122 V 8.64 5.12 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 0.95 0.00 0.00 -0.35 0.00 0.00 123 R 8.98 5.20 0.00 1.91 2.18 0.00 2.81 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 124 L 8.68 4.69 0.00 1.61 1.71 0.80 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.40 0.00 2.09 2.06 0.00 3.86 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 126 M 8.03 4.81 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.74 0.00 127 R 8.37 4.08 0.00 1.99 1.88 0.00 3.38 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 128 P 0.00 4.38 0.00 2.18 2.07 0.00 3.92 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 129 G 7.43 4.75 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 0.00 0.00 0.00 130 N 7.33 5.03 0.00 2.78 2.66 0.00 0.00 6.99 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 0.00 131 R 8.24 4.26 0.00 1.83 1.86 0.00 3.42 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 132 S 8.25 4.34 0.00 3.98 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 0.00 133 L 8.40 3.97 0.00 1.62 1.60 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.79 4.48 0.00 2.70 2.66 0.00 0.00 6.84 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 0.00 135 L 10.21 3.79 0.00 1.74 1.56 0.70 0.76 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 0.00 136 S 7.98 3.96 0.00 3.98 3.97 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 0.00 137 N 7.98 4.29 0.00 2.90 2.76 0.00 0.00 6.98 7.37 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 0.00 138 T 7.54 3.68 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 0.94 0.00 0.00 139 V 7.63 2.77 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 -0.32 0.00 0.00 140 A 8.06 4.02 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 0.00 141 V 7.75 3.62 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 1.02 0.00 0.00 0.91 0.00 0.00 142 V 7.25 2.85 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 -0.06 0.00 0.00 -0.13 0.00 0.00 143 V 7.69 3.24 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 0.83 0.00 0.00 0.88 0.00 0.00 144 F 8.39 4.33 0.00 3.39 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 0.00 145 E 8.52 4.15 0.00 2.38 2.37 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 2.50 2.50 0.00 146 A 8.02 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 W 8.33 4.64 0.00 3.62 3.47 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 0.00 148 R 8.13 2.51 0.00 2.10 2.10 0.00 3.22 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 149 Q 7.77 4.04 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.69 0.00 150 A 7.79 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 151 G 7.61 3.73 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 0.00 0.00 0.00 152 F 7.75 2.54 0.00 2.90 2.24 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 0.00 153 E 7.72 4.22 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.50 0.00 154 G 9.46 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 0.00 0.00 0.00 155 G 9.06 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 0.00 156 A 8.46 3.97 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 * Residues marked with a * may have inaccurate shift predictions.