NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.8727 8.1593 111.0963 62.0986 70.3095 172.4732 6 S 4.7796 9.0224 117.2838 55.6971 66.8697 171.1058 7 S 5.0361 8.3031 114.3036 56.9733 66.4879 173.4081 8 N 5.0657 8.2121 116.7286 51.1556 40.7447 175.6840 9 R 3.9611 8.6153 117.0933 58.4756 32.1576 178.7296 10 A 4.0255 7.8659 121.7366 52.2931 16.4493 178.7670 11 G 3.9590 9.3523 112.8395 45.2684 0.0000 172.6320 12 E 4.8023 8.2862 120.2750 55.0792 31.2711 175.3195 13 F 5.2389 9.5828 122.7340 55.7227 43.1371 174.4036 14 S 5.2633 9.1507 118.2664 56.9058 65.1611 173.3455 15 I 4.9825 8.4867 118.0307 57.7234 41.3566 172.9144 16 P 4.4377 0.0000 0.0000 62.0300 31.4803 175.2408 17 P 4.3512 0.0000 0.0000 63.0018 32.3142 175.2950 18 N 4.3938 8.7553 117.0359 54.9598 36.8324 174.3132 19 T 4.6966 7.8882 114.1084 61.6601 71.2348 174.0518 20 D 5.1675 8.8108 126.5958 54.4635 41.7501 175.5520 21 F 5.2489 9.0603 116.9215 55.7380 42.0782 173.3181 22 R 5.0472 9.2447 118.7056 54.8279 32.6680 175.3843 23 A 5.2164 9.1352 123.7230 50.3787 22.3197 174.8592 24 I 5.0490 9.1122 124.2162 59.7594 39.7304 174.7591 25 F 5.5195 9.6355 126.6783 55.9090 41.6850 174.7953 26 F 5.4023 8.7988 116.3933 56.1496 41.6810 172.5656 27 A 5.0005 8.7411 119.6567 50.2410 22.6276 174.9070 28 N 5.3253 8.4832 117.1300 50.1984 38.8384 173.0638 29 A 4.5315 8.8200 121.0795 51.0754 23.0989 177.7846 30 A 4.0758 8.6904 123.1631 54.4491 19.4281 178.3647 31 E 4.3456 7.7633 113.9422 55.6832 30.7596 176.8412 32 Q 4.2597 8.5861 124.8433 56.3567 29.9559 175.2708 33 Q 4.3691 9.2595 127.1292 55.8056 30.4740 174.7820 34 H 5.3494 9.5591 122.7441 54.8567 30.3732 174.3674 35 I 5.0498 9.1928 126.0698 59.5823 39.6428 175.0381 36 K 5.1063 9.3555 127.2587 54.2985 35.3266 175.0269 37 L 4.6610 8.7257 126.5098 53.1389 44.6315 174.9937 38 F 5.1269 9.1924 124.7902 55.6888 42.3582 174.4482 39 I 4.6986 8.1463 121.9340 60.4674 39.5687 176.9179 40 G 3.7934 9.0609 116.6444 46.2390 0.0000 173.7817 41 D 4.4393 8.6818 118.7862 56.5619 41.4106 176.9686 42 S 4.2288 7.9292 113.6152 58.4368 62.8700 173.0375 43 Q 4.3900 8.5559 126.9875 55.8935 28.8924 174.6309 44 E 4.4896 8.1217 116.9512 53.7637 29.6649 174.7056 45 P 3.7455 0.0000 0.0000 62.6922 31.8849 176.6738 46 A 4.2560 8.4203 124.3745 54.6798 19.0561 177.8864 47 A 4.6133 7.5917 115.5493 50.8680 23.0197 175.0600 48 Y 5.2219 8.1552 122.2039 56.6844 41.6411 173.7785 49 H 4.6900 9.3404 123.2862 53.7366 33.1599 173.1805 50 K 4.9888 8.4844 119.8956 54.7850 34.2891 175.4356 51 L 5.2066 9.0593 124.9865 53.0591 46.3745 176.1046 52 T 4.8095 9.0465 112.0835 59.8261 72.0750 174.9075 53 T 4.2397 8.8565 117.2357 66.1488 68.4113 176.9701 54 R 4.1262 7.4330 114.4852 58.2332 29.6403 177.2364 55 D 4.4103 8.0601 118.1205 54.6796 41.5567 178.1286 56 G 3.8552 7.5253 107.7009 44.6960 0.0000 171.0770 57 P 5.2031 0.0000 0.0000 61.9004 33.6247 175.4894 58 R 4.7597 9.0296 118.7116 54.3804 34.4007 173.9639 59 E 5.3343 8.8558 122.0347 54.4809 32.2558 174.6136 60 A 4.9215 9.4029 128.6554 50.5351 22.1698 175.2056 61 T 4.8672 8.3623 116.6640 61.7875 71.1579 173.5272 62 L 4.6838 8.3567 124.8588 52.9981 46.8435 174.4464 63 N 5.5739 8.3787 118.4109 51.8548 40.9421 174.7829 64 S 4.4315 9.4255 120.2945 58.9318 64.7778 175.5342 65 G 4.3099 8.2003 111.1284 46.9671 0.0000 175.9160 66 N 4.4422 8.8742 122.2887 53.3086 37.4017 175.6291 67 G 3.8982 8.6047 108.4879 45.9118 0.0000 173.0527 68 K 4.7885 8.4219 120.2445 55.2986 33.6843 175.6380 69 I 4.8921 8.8345 127.1675 59.5122 39.7413 175.0898 70 R 5.0402 8.9922 126.0013 54.3743 33.2860 174.9021 71 F 5.4746 8.6920 120.7774 55.8508 42.2778 174.7806 72 E 4.8580 9.5938 121.0893 54.7154 33.3978 174.6854 73 V 5.1112 8.6178 124.2101 61.1890 34.5186 174.3052 74 S 5.1461 9.1446 120.9603 57.0956 67.2271 172.9078 75 V 4.4455 8.1266 119.9335 61.5861 34.5476 174.9751 76 N 4.1802 9.8478 126.0302 54.6707 37.2336 174.9545 77 G 3.9360 8.3554 103.0684 45.0027 0.0000 174.1716 78 K 4.3602 7.9288 120.8973 54.1762 32.9837 174.6395 79 P 4.7157 0.0000 0.0000 62.8751 31.8631 176.3758 80 S 4.5462 8.7999 119.2326 57.8212 63.9571 174.1591 81 A 4.3691 8.3198 125.2028 52.4999 19.2124 176.8066 82 T 5.2625 8.4893 110.5085 60.2558 72.4201 172.1837 83 D 5.0906 9.1738 120.2843 53.0992 45.3837 173.3946 84 A 5.2294 8.3026 121.6754 51.4600 22.2181 175.2085 85 R 4.6795 9.0999 115.1146 55.4290 33.4633 173.7544 86 L 5.1978 8.5317 118.8812 53.2367 43.4469 177.3083 87 A 4.8793 8.4107 122.6742 50.3172 18.2442 174.4055 88 P 4.6369 0.0000 0.0000 62.2393 33.3321 177.5977 89 I 4.4086 8.9134 122.9254 59.8875 39.2427 174.2882 90 N 4.9592 8.7745 124.8126 51.6375 40.6717 173.8683 91 G 3.6892 7.2237 111.8787 44.4389 0.0000 170.1166 92 K 5.1107 8.4321 118.0045 54.6828 34.4786 177.1600 93 K 4.1083 9.9264 126.0357 59.5950 32.4424 178.4815 *96 G 4.1960 8.0442 103.8308 46.1475 0.0000 173.8757 97 S 4.6991 7.9077 115.3567 56.8699 64.6104 171.9068 98 P 5.0651 0.0000 0.0000 62.9085 32.2612 175.2318 99 F 5.1929 8.6153 115.5618 55.6126 41.8877 173.5442 100 T 5.1741 8.6302 115.2904 61.8926 72.1949 173.3497 101 V 4.2598 8.9347 126.0806 61.1753 34.1535 173.9401 102 N 4.7231 8.2366 125.6440 51.7355 40.4207 174.2115 103 F 5.0749 8.1997 119.8386 55.6044 43.7614 173.8846 104 G 4.5059 9.2663 108.7438 44.5610 0.0000 171.7203 105 I 5.2496 9.1917 122.6126 59.2789 41.5135 174.5016 106 V 4.8344 8.8012 126.4228 61.1916 34.6364 174.6737 107 V 5.0039 8.6603 119.8015 60.0061 36.2941 174.2571 108 S 5.1024 7.9962 112.3403 57.6869 66.6885 173.1760 109 E 4.8837 8.7276 121.9652 54.4822 31.7664 175.8203 110 D 4.5681 9.3375 126.2986 53.0268 40.1673 177.0828 111 G 4.0636 8.7142 107.9843 46.0356 0.0000 174.9398 112 H 4.3700 7.9829 115.5350 58.3465 29.3481 174.9079 113 D 4.5481 7.6510 117.5777 52.8464 40.9489 174.7792 114 S 4.8507 8.4285 109.0865 58.4463 63.2803 174.5538 115 D 4.5302 8.4170 121.6299 55.1690 39.9796 176.6240 116 Y 3.5733 8.4050 116.5680 59.0163 35.8918 170.0341 117 N 5.0205 7.7364 113.7308 52.7221 38.2880 175.0178 118 D 4.8191 8.0519 121.0021 56.7429 40.6454 176.5339 119 G 4.4362 8.0617 105.5021 44.3414 0.0000 171.6396 120 I 4.9079 8.4723 125.7491 59.3008 41.1507 174.7616 121 V 4.7169 8.2547 125.0049 60.9243 35.1474 174.1213 122 V 4.8242 8.8227 127.1540 61.2053 34.0188 174.1895 123 L 5.3367 8.9836 128.1702 53.7130 44.1189 175.4062 124 Q 4.7188 9.2797 122.8244 54.5722 32.8834 173.4023 125 W 5.4580 8.0839 121.6801 54.7332 31.9921 172.2425 126 P 4.9649 0.0000 0.0000 62.9911 31.4582 176.0536 127 I 4.4084 8.1726 110.5536 60.4103 38.0062 175.8667 128 G 3.8103 8.1856 115.3553 46.3745 0.0000 173.6740 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 5 T 8.16 4.87 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 6 S 9.02 4.78 0.00 3.88 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 7 S 8.30 5.04 0.00 3.22 3.80 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 8 N 8.21 5.07 0.00 2.73 2.83 0.00 0.00 7.35 8.69 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 9 R 8.62 3.96 0.00 1.87 2.00 0.00 3.08 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.59 0.00 10 A 7.87 4.03 1.15 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 0.00 0.00 11 G 9.35 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.29 4.80 0.00 2.01 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 2.29 2.28 0.00 13 F 9.58 5.24 0.00 2.77 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 14 S 9.15 5.26 0.00 3.76 3.75 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 15 I 8.49 4.98 0.94 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.43 0.33 0.00 0.00 16 P 0.00 4.44 0.00 1.94 2.05 0.00 3.42 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 2.19 2.21 0.00 17 P 0.00 4.35 0.00 1.92 2.05 0.00 3.82 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 2.01 2.24 0.00 18 N 8.76 4.39 0.00 2.80 2.89 0.00 0.00 6.79 7.26 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 19 T 7.89 4.70 4.18 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 1.24 0.00 0.00 20 D 8.81 5.17 0.00 2.60 2.61 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 21 F 9.06 5.25 0.00 3.32 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 22 R 9.24 5.05 0.00 1.85 1.95 0.00 3.42 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 23 A 9.14 5.22 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 9.11 5.05 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.18 1.09 0.00 0.00 25 F 9.64 5.52 0.00 2.82 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 26 F 8.80 5.40 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 27 A 8.74 5.00 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 28 N 8.48 5.33 0.00 3.00 2.76 0.00 0.00 6.70 6.49 0.00 0.00 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 8.82 4.53 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 30 A 8.69 4.08 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 31 E 7.76 4.35 0.00 1.83 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 2.17 2.15 0.00 32 Q 8.59 4.26 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 33 Q 9.26 4.37 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.59 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 34 H 9.56 5.35 0.00 3.34 3.44 0.00 5.58 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 9.19 5.05 2.30 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.14 1.30 0.00 0.00 36 K 9.36 5.11 0.00 1.66 1.04 0.00 1.54 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.69 1.06 7.81 37 L 8.73 4.66 0.00 1.79 1.49 1.18 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 38 F 9.19 5.13 0.00 2.87 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 39 I 8.15 4.70 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.66 1.02 0.00 0.00 40 G 9.06 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 0.00 0.00 0.00 41 D 8.68 4.44 0.00 2.68 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 42 S 7.93 4.23 0.00 3.86 3.82 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 43 Q 8.56 4.39 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.11 2.32 0.00 44 E 8.12 4.49 0.00 2.06 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 2.34 2.32 0.00 45 P 0.00 3.75 0.00 1.88 1.41 0.00 3.69 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 1.88 1.88 0.00 46 A 8.42 4.26 1.24 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 0.00 0.00 47 A 7.59 4.61 1.28 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 48 Y 8.16 5.22 0.00 2.69 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 49 H 9.34 4.69 0.00 2.78 2.96 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.48 4.99 0.00 1.41 1.62 0.00 1.04 0.00 0.00 1.37 0.00 0.00 2.71 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.95 0.82 7.81 51 L 9.06 5.21 0.00 1.62 1.56 1.03 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 52 T 9.05 4.81 4.41 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 1.27 0.00 0.00 53 T 8.86 4.24 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 54 R 7.43 4.13 0.00 2.02 2.07 0.00 3.07 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 55 D 8.06 4.41 0.00 2.90 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 56 G 7.53 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 0.00 0.00 0.00 57 P 0.00 5.20 0.00 2.12 2.02 0.00 3.72 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 1.93 1.96 0.00 58 R 9.03 4.76 0.00 1.41 1.40 0.00 3.09 0.00 0.00 3.03 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.38 0.00 59 E 8.86 5.33 0.00 1.99 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 2.22 2.35 0.00 60 A 9.40 4.92 1.39 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 61 T 8.36 4.87 4.19 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 1.14 0.00 0.00 62 L 8.36 4.68 0.00 0.27 1.11 0.84 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.38 5.57 0.00 2.78 2.65 0.00 0.00 7.01 7.63 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 64 S 9.43 4.43 0.00 3.84 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 65 G 8.20 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 0.00 0.00 0.00 0.00 66 N 8.87 4.44 0.00 2.83 2.94 0.00 0.00 6.16 7.00 0.00 0.00 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 G 8.60 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 0.00 0.00 0.00 68 K 8.42 4.79 0.00 1.78 1.75 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.54 7.81 69 I 8.83 4.89 1.82 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.44 0.72 0.00 0.00 70 R 8.99 5.04 0.00 1.82 1.85 0.00 2.99 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 71 F 8.69 5.47 0.00 3.12 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 72 E 9.59 4.86 0.00 2.15 1.94 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 2.30 2.44 0.00 73 V 8.62 5.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.02 0.00 0.00 74 S 9.14 5.15 0.00 3.99 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 75 V 8.13 4.45 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 0.94 0.00 0.00 76 N 9.85 4.18 0.00 2.84 2.83 0.00 0.00 7.24 7.98 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 77 G 8.36 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 78 K 7.93 4.36 0.00 1.93 1.74 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.55 7.81 79 P 0.00 4.72 0.00 2.05 2.01 0.00 3.68 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 2.03 2.12 0.00 80 S 8.80 4.55 0.00 3.81 3.89 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 81 A 8.32 4.37 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.49 5.26 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 1.32 0.00 0.00 83 D 9.17 5.09 0.00 2.71 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.30 5.23 1.18 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 0.00 0.00 85 R 9.10 4.68 0.00 1.89 2.03 0.00 2.78 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 86 L 8.53 5.20 0.00 1.65 1.74 1.05 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.41 4.88 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 88 P 0.00 4.64 0.00 2.05 2.00 0.00 3.76 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 1.98 2.00 0.00 89 I 8.91 4.41 2.04 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.76 1.01 0.00 0.00 90 N 8.77 4.96 0.00 2.43 2.56 0.00 0.00 6.85 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 91 G 7.22 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 92 K 8.43 5.11 0.00 1.63 1.72 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.36 7.81 93 K 9.93 4.11 0.00 1.78 1.92 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.65 1.82 7.81 *96 G 8.04 4.20 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 0.00 97 S 7.91 4.70 0.00 3.94 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 98 P 0.00 5.07 0.00 2.07 2.04 0.00 3.72 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 2.00 1.96 0.00 99 F 8.62 5.19 0.00 3.10 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 0.00 100 T 8.63 5.17 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 1.14 0.00 0.00 101 V 8.93 4.26 2.27 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 0.84 0.00 0.00 1.08 0.00 0.00 102 N 8.24 4.72 0.00 1.44 1.42 0.00 0.00 6.33 8.89 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 0.00 103 F 8.20 5.07 0.00 3.03 2.88 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 0.00 104 G 9.27 4.51 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 0.00 0.00 0.00 105 I 9.19 5.25 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.80 0.93 0.00 0.00 106 V 8.80 4.83 1.64 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 0.90 0.00 0.00 0.62 0.00 0.00 107 V 8.66 5.00 2.40 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 0.77 0.00 0.00 1.00 0.00 0.00 108 S 8.00 5.10 0.00 3.89 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 0.00 109 E 8.73 4.88 0.00 1.16 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 1.62 1.99 0.00 110 D 9.34 4.57 0.00 2.76 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 0.00 111 G 8.71 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 0.00 112 H 7.98 4.37 0.00 3.16 3.39 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.65 4.55 0.00 2.73 2.61 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 0.00 114 S 8.43 4.85 0.00 4.12 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 0.00 115 D 8.42 4.53 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 0.00 116 Y 8.40 3.57 0.00 3.11 3.11 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 0.00 117 N 7.74 5.02 0.00 2.88 2.89 0.00 0.00 6.85 7.94 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 0.00 118 D 8.05 4.82 0.00 2.66 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 0.00 119 G 8.06 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.47 4.91 0.56 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.64 0.63 0.00 0.00 121 V 8.25 4.72 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 0.69 0.00 0.00 0.49 0.00 0.00 122 V 8.82 4.82 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 1.11 0.00 0.00 1.11 0.00 0.00 123 L 8.98 5.34 0.00 1.67 1.71 0.37 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 9.28 4.72 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 1.35 2.05 0.00 125 W 8.08 5.46 0.00 3.45 3.25 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 0.00 126 P 0.00 4.96 0.00 2.27 2.22 0.00 3.62 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 2.00 1.99 0.00 127 I 8.17 4.41 1.90 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 1.41 0.75 1.07 0.00 0.00 128 G 8.19 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 * Residues marked with a * may have inaccurate shift predictions.