NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.3364 8.1127 119.0738 55.5548 31.4329 175.8983 9 L 3.7990 8.4128 122.1378 57.8331 42.0230 177.3927 10 D 4.9622 8.9541 117.8081 56.3083 41.8155 175.8428 11 D 4.8024 7.9046 117.6655 54.2848 41.9218 177.1636 12 Q 4.2420 7.9902 120.6709 55.1621 30.2485 176.3232 13 I 3.7864 8.6304 124.8026 64.3145 37.8925 178.1980 14 G 3.6300 8.0901 105.7249 47.7770 0.0000 175.0654 15 F 4.4290 8.2970 123.2116 61.0672 39.4430 176.6611 16 I 3.5016 7.8251 119.2932 64.6280 36.9687 178.3185 17 L 3.9450 8.2661 119.7227 57.8397 41.3885 179.6042 18 R 3.9044 8.2775 118.9155 59.4840 29.9711 178.6422 19 Q 3.8457 7.9221 117.6602 58.7788 28.5965 178.4499 20 A 4.0091 7.9011 121.8186 55.2285 18.4170 179.3978 21 N 4.3347 8.2982 114.9528 56.7089 38.6395 177.6852 22 Q 4.1084 8.3062 119.6404 58.9395 28.7568 178.8706 23 R 3.9109 8.5246 120.3105 59.2911 29.9996 178.0203 24 Y 3.8078 8.4039 119.5884 60.5690 38.8294 177.4078 25 A 4.0123 8.5968 121.9818 55.5849 18.4489 179.5786 26 A 3.9421 8.0058 118.8624 55.0554 18.5582 179.9071 27 L 3.8269 7.7914 117.6720 57.6958 41.6847 179.3662 28 F 3.6528 8.0837 120.6497 61.2927 39.1001 177.1564 29 A 4.0604 8.0249 118.8565 55.0560 18.1817 178.9553 30 N 4.4964 7.9163 114.1004 55.2534 38.7915 176.8886 31 G 3.7739 7.3995 104.4648 45.0845 0.0000 175.2857 32 I 3.1968 7.1896 121.4464 62.3385 37.6735 177.7662 33 G 3.9782 8.1148 106.3584 45.1721 0.0000 173.2082 34 N 4.7160 7.4874 113.3768 52.0601 38.0122 175.7785 35 G 3.9691 8.2461 107.0305 45.5260 0.0000 173.7320 36 L 4.6137 7.6994 119.6579 54.2707 42.6629 177.6803 37 T 4.3165 8.6046 113.1969 60.8520 70.9043 173.9216 38 P 3.2953 0.0000 0.0000 65.9462 31.2306 179.0405 39 T 3.9509 7.7429 107.8997 64.6122 68.8896 176.6649 40 Q 4.0006 7.8325 120.5957 58.5867 28.8414 178.5809 41 W 4.3325 8.5111 129.0508 60.4825 30.6621 177.6300 42 A 3.8704 8.4468 120.8191 55.2508 17.7420 179.4298 43 A 3.8571 7.9608 119.1421 55.1083 18.4118 179.7132 44 L 3.7299 7.4925 118.3944 58.1945 42.0798 179.1266 45 V 3.1918 7.5368 118.5135 65.9930 31.3445 178.0104 46 R 3.8153 8.0355 118.3872 59.3956 30.0221 178.3786 47 L 4.0753 8.2300 119.3029 57.7999 41.3411 179.8118 48 G 3.5812 7.8583 104.8204 47.4748 0.0000 175.1236 49 E 4.2280 7.6834 120.2302 58.0747 29.8415 177.9498 50 T 4.4022 7.8785 107.3104 62.1505 70.4045 176.2137 51 G 3.8397 8.1321 110.1846 44.5566 0.0000 171.0168 52 P 4.5918 0.0000 0.0000 63.4565 32.0191 175.7603 53 C 4.7344 9.0303 123.0383 57.2501 35.5874 171.3675 54 P 4.7035 0.0000 0.0000 62.7297 31.7853 177.0768 55 Q 3.9176 8.9901 124.2225 59.6634 28.9191 178.8217 56 N 4.3416 8.0436 116.8860 56.1557 38.7257 176.9752 57 Q 3.9452 8.0276 120.5933 59.1560 29.0917 178.0337 58 L 4.0557 8.3643 121.8233 57.8621 42.1363 179.0630 59 G 3.6447 8.1770 105.8520 48.1170 0.0000 175.9397 60 R 4.0029 7.8764 119.4762 58.6444 30.1388 178.7403 61 L 4.2836 7.9469 117.5635 56.1680 41.7042 177.7129 62 T 4.2804 7.2355 107.6163 60.2085 68.8586 173.9032 63 A 3.3700 7.1869 120.9604 53.2837 15.8115 177.2872 *65 D 4.4088 7.9336 119.3387 53.2118 42.0055 176.0133 66 A 3.9471 8.4574 120.9384 55.5925 18.1913 179.8029 67 A 3.9063 7.9773 118.1744 55.6295 18.6450 179.7742 68 T 3.7853 8.7643 114.5716 66.9143 68.4944 176.8151 69 I 3.7248 8.1294 120.8584 63.6042 37.8548 177.6760 70 K 4.0518 8.1335 120.9444 59.5013 31.9492 178.5364 71 G 3.7698 7.9439 105.6879 48.4280 0.0000 176.0384 72 V 3.6863 7.7253 114.9735 63.4835 31.4680 178.9731 73 V 3.6005 8.0549 118.4081 65.9573 31.3351 177.9142 74 E 3.9598 8.5115 118.6354 59.5157 29.4279 179.5060 75 R 3.9442 8.1768 118.0905 59.3721 30.0643 179.1205 76 L 4.0491 8.3471 119.1195 57.7765 41.5477 179.1377 77 D 4.2896 8.4760 118.3865 57.2486 40.9955 178.2114 78 K 3.9458 8.0582 118.9884 59.2180 32.2378 178.1636 79 R 4.3186 7.7110 115.8544 56.2346 30.2822 177.1912 80 G 3.9081 8.0387 106.9376 45.8443 0.0000 174.1745 81 L 4.6644 8.3190 120.9084 54.5016 43.3011 176.3186 82 I 5.1954 7.7807 111.1533 58.8263 40.8347 174.7577 83 Q 4.7678 9.3247 120.9594 54.5424 31.8995 174.2401 84 R 5.3762 8.5222 119.4115 54.7960 32.9404 175.3893 85 S 4.7495 8.8232 115.6539 56.4953 66.8983 173.2932 86 A 4.4361 8.6045 123.5144 52.3634 19.1780 176.7693 87 D 4.3610 9.0179 122.9579 53.6030 41.6192 175.6495 88 P 4.3736 0.0000 0.0000 65.2292 31.5606 176.9063 89 D 4.5864 8.2928 115.7986 54.6503 41.6861 176.3147 90 D 4.4047 7.9112 118.5780 52.8534 42.1453 175.6864 91 G 3.7704 8.5864 116.4539 47.9165 0.0000 173.4205 92 R 4.0489 8.2215 118.5792 57.8467 30.4117 176.3603 93 R 4.7693 7.8136 114.0673 54.2650 32.7793 174.7970 94 L 5.0856 8.3709 118.8739 53.1517 44.4193 175.8264 95 L 4.8040 8.9353 122.1940 53.1201 44.1828 175.6698 96 V 4.6795 8.7134 124.3929 61.9827 33.2901 174.6493 97 S 4.9062 8.7701 120.8594 56.2894 66.4343 172.8861 98 L 4.5933 8.4744 125.1483 54.8233 42.0243 177.4239 99 S 4.4797 8.8058 118.2678 56.8800 64.6646 173.2776 100 P 4.1752 0.0000 0.0000 66.2316 30.9733 178.6944 101 A 4.2154 8.0568 118.5866 54.5576 18.3777 179.8700 102 G 3.5045 7.7240 104.7646 47.9583 0.0000 176.0353 103 R 3.8978 8.3519 121.5957 59.0078 30.0464 178.5376 104 A 4.0319 8.0043 120.3237 55.1250 18.1986 179.3518 105 E 4.0366 8.0132 116.1602 59.4287 29.9549 179.1397 106 L 4.1531 8.0751 120.2193 58.3621 42.0211 178.7451 107 E 4.0200 8.0995 117.6214 59.2060 29.6703 178.3458 108 A 4.2835 8.6940 120.3056 53.9419 18.7404 178.6861 109 G 3.8848 8.0191 102.4054 44.9517 0.0000 175.7245 110 L 4.3374 8.1323 121.2814 57.8708 41.7171 178.9465 111 A 3.9742 8.0512 119.9436 55.0813 18.3195 179.3411 112 A 3.7666 7.8673 118.4975 55.1909 18.5046 179.4744 113 A 3.7157 7.8372 119.2682 55.3252 18.4370 179.9467 114 R 3.9291 8.3247 116.8487 59.5373 30.1455 178.9305 115 E 3.9303 8.1894 118.9758 59.2318 29.5436 178.7904 116 I 3.6091 7.9213 120.1060 64.6188 37.0371 178.2072 117 N 4.5760 8.3093 117.1716 56.2992 38.0952 177.8212 118 R 3.9826 7.7804 119.0092 59.1897 30.4472 178.7411 119 Q 4.1079 8.3070 117.7051 58.9277 28.5248 178.3941 120 A 4.0634 7.9576 120.5753 55.1354 18.7122 178.8943 121 L 4.3741 7.7410 114.7458 55.1600 41.9227 178.5588 122 A 4.0856 7.7124 121.3750 54.6086 18.3689 176.9834 123 P 4.3486 0.0000 0.0000 64.1831 31.6942 176.1096 124 L 4.8987 7.7615 118.9734 52.4179 44.0606 177.1443 125 S 4.4292 8.8029 117.8062 57.8313 65.0335 175.3869 126 L 3.9387 8.4660 122.1577 58.2495 41.3036 179.7571 127 Q 3.9721 7.9752 118.7736 59.1804 29.0774 177.7122 128 E 4.0046 7.9222 119.3697 59.5372 29.3664 179.4088 129 Q 3.9980 8.3718 118.3019 58.8585 28.6324 178.3905 130 E 3.9250 7.9740 120.4826 59.4550 29.7458 179.0191 131 T 3.8665 7.9913 115.7410 66.4752 68.5374 176.3233 132 L 3.8927 8.1818 122.4621 58.2117 42.1721 178.7510 133 R 3.9769 8.2978 119.0419 59.5655 29.7396 178.6995 134 G 3.5731 7.6217 104.2086 47.7822 0.0000 175.4239 135 L 4.1633 7.8622 121.4097 57.5520 41.6592 179.6653 136 L 4.0002 8.4630 119.1888 57.5081 41.3501 179.0351 137 A 4.1575 7.9066 119.2574 53.9027 18.3794 178.6046 138 R 4.3974 7.4039 115.0848 55.7251 31.2795 176.3701 139 L 4.8630 7.7863 119.1253 54.0472 42.3858 176.5850 140 I 4.1910 7.5298 123.6754 61.6828 38.1738 175.6934 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 8 R 8.11 4.34 0.00 1.75 1.88 0.00 3.23 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 9 L 8.41 3.80 0.00 1.61 1.50 0.66 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.95 4.96 0.00 2.80 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 11 D 7.90 4.80 0.00 2.83 2.72 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 12 Q 7.99 4.24 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.74 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 13 I 8.63 3.79 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 1.58 1.39 0.93 0.00 0.00 14 G 8.09 3.63 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 0.00 0.00 0.00 15 F 8.30 4.43 0.00 3.05 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 16 I 7.83 3.50 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 1.82 0.65 0.88 0.00 0.00 17 L 8.27 3.95 0.00 1.90 1.71 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.28 3.90 0.00 1.90 1.96 0.00 3.15 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 19 Q 7.92 3.85 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.03 1.83 0.00 20 A 7.90 4.01 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 21 N 8.30 4.33 0.00 2.99 2.90 0.00 0.00 7.05 7.36 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 22 Q 8.31 4.11 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 23 R 8.52 3.91 0.00 1.83 2.15 0.00 3.09 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 24 Y 8.40 3.81 0.00 3.18 3.10 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 25 A 8.60 4.01 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 26 A 8.01 3.94 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 27 L 7.79 3.83 0.00 1.61 1.55 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.08 3.65 0.00 2.71 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 29 A 8.02 4.06 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 30 N 7.92 4.50 0.00 2.73 2.80 0.00 0.00 6.85 8.28 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 31 G 7.40 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 0.00 0.00 0.00 0.00 32 I 7.19 3.20 0.56 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.80 0.70 0.00 0.00 33 G 8.11 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 34 N 7.49 4.72 0.00 2.88 2.89 0.00 0.00 7.04 6.88 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 35 G 8.25 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 0.00 0.00 0.00 36 L 7.70 4.61 0.00 2.05 1.88 1.24 1.21 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 37 T 8.60 4.32 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 38 P 0.00 3.30 0.00 2.01 1.83 0.00 3.50 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 2.03 1.61 0.00 39 T 7.74 3.95 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 1.19 0.00 0.00 40 Q 7.83 4.00 0.00 2.43 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 41 W 8.51 4.33 0.00 3.70 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 42 A 8.45 3.87 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 43 A 7.96 3.86 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 44 L 7.49 3.73 0.00 1.83 1.43 0.90 1.32 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 45 V 7.54 3.19 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 0.81 0.00 0.00 -0.05 0.00 0.00 46 R 8.04 3.82 0.00 1.97 1.96 0.00 3.17 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 47 L 8.23 4.08 0.00 1.78 1.66 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.86 3.58 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 0.00 49 E 7.68 4.23 0.00 2.03 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 2.29 2.43 0.00 50 T 7.88 4.40 4.22 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 1.24 0.00 0.00 51 G 8.13 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 0.00 0.00 0.00 52 P 0.00 4.59 0.00 1.94 2.00 0.00 3.68 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 2.08 0.00 53 C 9.03 4.73 0.00 3.11 2.68 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 54 P 0.00 4.70 0.00 2.10 1.95 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 55 Q 8.99 3.92 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 56 N 8.04 4.34 0.00 2.84 2.84 0.00 0.00 6.76 7.81 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 57 Q 8.03 3.95 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 58 L 8.36 4.06 0.00 1.76 1.84 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.18 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 60 R 7.88 4.00 0.00 1.94 2.00 0.00 3.16 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 61 L 7.95 4.28 0.00 1.75 1.70 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.24 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 1.19 0.00 0.00 63 A 7.19 3.37 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 D 7.93 4.41 0.00 2.98 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 66 A 8.46 3.95 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 67 A 7.98 3.91 1.32 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 0.00 0.00 68 T 8.76 3.79 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 69 I 8.13 3.72 1.86 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 1.61 1.43 1.06 0.00 0.00 70 K 8.13 4.05 0.00 1.97 2.02 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.47 7.81 71 G 7.94 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 0.00 0.00 0.00 0.00 72 V 7.73 3.69 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 0.84 0.00 0.00 0.94 0.00 0.00 73 V 8.05 3.60 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 1.12 0.00 0.00 0.97 0.00 0.00 74 E 8.51 3.96 0.00 2.32 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 2.33 2.36 0.00 75 R 8.18 3.94 0.00 2.08 2.01 0.00 3.19 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 76 L 8.35 4.05 0.00 2.02 1.73 0.98 0.92 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 77 D 8.48 4.29 0.00 2.88 2.83 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 78 K 8.06 3.95 0.00 1.94 2.02 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 79 R 7.71 4.32 0.00 2.02 1.99 0.00 3.29 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 80 G 8.04 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 81 L 8.32 4.66 0.00 1.72 1.73 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.78 5.20 1.93 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 1.51 0.59 0.90 0.00 0.00 83 Q 9.32 4.77 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 84 R 8.52 5.38 0.00 1.68 1.85 0.00 3.21 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 85 S 8.82 4.75 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 86 A 8.60 4.44 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 87 D 9.02 4.36 0.00 2.79 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 88 P 0.00 4.37 0.00 2.07 2.10 0.00 3.71 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 2.02 2.10 0.00 89 D 8.29 4.59 0.00 2.66 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 90 D 7.91 4.40 0.00 2.68 2.50 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 0.00 0.00 0.00 91 G 8.59 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 0.00 0.00 0.00 0.00 92 R 8.22 4.05 0.00 1.91 2.00 0.00 3.07 0.00 0.00 3.60 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 93 R 7.81 4.77 0.00 1.88 2.01 0.00 2.73 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 94 L 8.37 5.09 0.00 1.51 1.60 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.94 4.80 0.00 1.76 1.55 0.97 0.79 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 96 V 8.71 4.68 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 0.97 0.00 0.00 0.92 0.00 0.00 97 S 8.77 4.91 0.00 3.89 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 98 L 8.47 4.59 0.00 1.53 1.58 0.87 0.83 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 99 S 8.81 4.48 0.00 4.01 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 0.00 100 P 0.00 4.18 0.00 2.18 2.18 0.00 3.59 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 2.13 2.19 0.00 101 A 8.06 4.22 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 0.00 102 G 7.72 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.35 3.90 0.00 1.90 2.09 0.00 3.14 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 104 A 8.00 4.03 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 0.00 105 E 8.01 4.04 0.00 2.28 2.19 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 2.42 2.49 0.00 106 L 8.08 4.15 0.00 1.78 1.86 0.39 0.60 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 0.00 107 E 8.10 4.02 0.00 2.26 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 2.34 2.40 0.00 108 A 8.69 4.28 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 0.00 109 G 8.02 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 0.00 0.00 0.00 110 L 8.13 4.34 0.00 1.82 1.87 1.04 1.13 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 0.00 111 A 8.05 3.97 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 0.00 112 A 7.87 3.77 1.11 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 0.00 113 A 7.84 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 0.00 114 R 8.32 3.93 0.00 2.11 2.03 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 115 E 8.19 3.93 0.00 2.06 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 2.25 2.34 0.00 116 I 7.92 3.61 1.95 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.28 0.73 0.00 0.00 117 N 8.31 4.58 0.00 3.02 2.97 0.00 0.00 7.07 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 0.00 118 R 7.78 3.98 0.00 1.99 2.00 0.00 3.32 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 119 Q 8.31 4.11 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 120 A 7.96 4.06 1.56 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 0.00 0.00 121 L 7.74 4.37 0.00 1.77 1.72 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.71 4.09 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 0.00 123 P 0.00 4.35 0.00 2.06 2.12 0.00 3.75 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 2.11 0.00 124 L 7.76 4.90 0.00 1.79 1.55 0.92 0.75 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 0.00 125 S 8.80 4.43 0.00 4.06 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 0.00 126 L 8.47 3.94 0.00 1.71 1.78 0.93 0.67 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 0.00 127 Q 7.98 3.97 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 128 E 7.92 4.00 0.00 2.31 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 2.33 2.36 0.00 129 Q 8.37 4.00 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 130 E 7.97 3.92 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 2.35 0.00 131 T 7.99 3.87 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 1.21 0.00 0.00 132 L 8.18 3.89 0.00 1.79 1.80 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.30 3.98 0.00 2.14 1.92 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 134 G 7.62 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 0.00 135 L 7.86 4.16 0.00 2.04 1.72 0.94 0.59 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 0.00 136 L 8.46 4.00 0.00 1.77 1.70 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 137 A 7.91 4.16 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 0.00 138 R 7.40 4.40 0.00 1.90 1.97 0.00 3.11 0.00 0.00 3.32 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 139 L 7.79 4.86 0.00 1.60 1.61 0.92 0.57 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 0.00 140 I 7.53 4.19 1.86 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 1.25 0.57 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.