NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.2176 8.0093 121.4409 61.6290 37.8675 174.9138 5 N 4.9618 8.6458 121.4787 49.3051 38.3900 172.3872 6 T 4.7116 8.4674 110.4602 60.5302 73.3965 176.0456 7 F 4.2483 8.4361 120.7605 61.0478 39.0254 177.7834 8 D 4.5395 8.3056 118.1247 57.1523 40.8487 178.8312 9 G 3.6312 7.8348 105.7362 48.0271 0.0000 176.0104 10 V 3.6957 8.1700 121.3798 65.2965 31.5608 177.9418 11 A 4.0526 8.2862 120.7044 55.3863 18.3880 179.4086 12 D 4.2775 8.7251 117.8134 57.3784 40.7644 178.4469 13 Y 3.6649 8.0208 119.9615 60.6172 38.8774 177.9248 14 L 4.0655 8.2525 120.1062 58.1079 41.5094 179.6640 15 Q 3.6191 7.6485 116.6265 58.5360 28.6214 178.5846 16 T 3.5459 6.9570 115.8170 66.0203 68.7239 175.9380 17 Y 4.4553 7.2260 115.2690 56.8572 38.9795 175.2616 18 H 3.3795 7.4124 116.1275 55.7355 26.6579 174.2779 19 K 4.5983 7.5650 114.4399 56.1658 34.7726 174.6669 20 L 4.1365 8.3641 119.7130 53.5111 42.5329 175.2587 21 P 3.7098 0.0000 0.0000 62.2485 31.7296 177.4109 22 D 4.4442 8.3235 118.9796 57.1646 40.9494 177.4774 23 N 4.5093 8.0364 114.9395 53.4170 37.8157 173.4675 24 Y 5.1088 7.7504 117.4960 56.7041 40.4474 174.7349 25 I 5.0593 8.7444 116.1348 59.1577 41.6225 175.0298 26 T 4.5479 9.2304 114.8618 61.2722 70.2440 175.8537 27 K 4.0132 9.5266 121.7360 59.7899 32.0550 179.9113 28 S 4.3075 8.1705 113.9449 61.5989 62.7308 176.2419 29 E 4.0423 8.2282 121.7478 58.9417 29.1208 179.0716 30 A 4.0403 8.3499 121.1366 55.1519 18.4559 179.3579 31 Q 4.2707 8.7923 116.8638 59.5559 28.6881 179.3144 32 A 4.0672 7.9040 119.9329 55.2703 18.5086 179.1653 33 L 4.2316 7.4816 115.5592 55.2545 41.9162 177.4324 34 G 3.9118 7.9331 105.7400 44.6731 0.0000 174.1823 35 W 4.4426 8.5513 131.6224 57.6274 30.9986 175.3658 36 V 3.7032 9.0146 125.4927 60.4947 32.2847 175.3805 37 A 3.5234 7.4563 130.8560 55.3240 18.0224 179.7134 38 S 4.3298 7.9513 109.2103 60.9392 62.9337 175.4274 39 K 4.4171 8.0886 118.2399 54.9619 32.4474 176.1918 40 G 3.0203 7.1992 107.4778 46.2926 0.0000 173.7328 41 N 4.8059 7.7914 112.1891 52.3711 38.3226 176.2544 42 L 3.9601 8.4502 122.1443 59.0251 41.7098 178.9172 43 A 4.0675 8.1457 117.8501 54.7589 18.3516 178.6010 44 D 4.4828 7.9907 117.0014 56.7026 41.1480 178.4302 45 V 4.1814 7.8017 110.5818 61.6477 33.9074 176.3530 46 A 4.6655 8.1976 121.3721 49.2292 19.0970 173.0733 47 P 4.4619 0.0000 0.0000 63.5500 32.2561 177.6828 48 G 3.8695 8.8270 109.8830 45.4959 0.0000 173.1793 49 K 4.6644 7.6468 118.5403 55.1138 34.0344 176.1827 50 S 4.5729 8.2186 117.4571 56.4808 67.3122 173.5493 51 I 4.2274 7.9085 123.4753 61.1756 37.9982 175.3546 52 G 4.1965 8.9628 112.7510 46.8883 0.0000 173.5186 53 G 4.6107 9.6720 108.8623 44.6996 0.0000 174.1156 54 D 4.8234 7.9628 119.4963 53.4136 42.7940 175.8260 55 I 4.3132 8.3144 122.1212 61.5232 37.9108 175.1008 56 F 4.6765 8.6834 129.5443 56.5879 40.1437 175.1742 57 S 3.8162 8.1192 121.4939 61.2824 62.0513 175.2435 58 N 4.1040 6.0391 116.0709 54.3806 36.8691 176.3577 59 R 3.8195 7.8764 117.3033 58.7234 29.4843 177.5733 60 E 4.2931 8.2158 115.1004 55.5744 29.6102 176.7360 61 G 4.1040 7.6859 105.7083 46.4369 0.0000 175.7664 62 K 4.1099 7.5464 121.8701 57.9354 32.2903 177.5248 63 L 3.9676 7.1273 117.4574 51.2916 43.5249 174.4763 64 P 4.1890 0.0000 0.0000 63.2712 31.5780 176.3038 65 G 4.2448 8.2687 112.0387 44.1940 0.0000 172.3605 66 K 4.3476 7.8499 118.9257 54.9087 34.8788 174.6817 67 S 4.3160 8.5739 119.7603 59.6894 63.2519 174.7290 68 G 3.8449 8.9418 113.3972 44.8211 0.0000 172.7279 69 R 4.1631 7.5227 121.2028 55.7921 30.6571 175.6773 70 T 4.7067 8.5379 116.2192 59.6159 72.4957 172.7438 71 W 4.8875 8.5860 121.7911 55.0990 32.5244 174.9233 72 R 5.1612 8.9662 121.6851 54.2620 34.2085 173.8670 73 E 5.5102 9.3097 117.5012 55.0394 33.7722 174.3145 74 A 5.0290 8.8454 120.3932 50.4630 23.0181 175.4560 75 D 4.9683 9.3529 121.1102 54.4105 41.6341 176.1698 76 I 4.4036 7.8479 122.2208 59.9780 40.5083 174.9524 77 N 4.1163 9.0368 120.7841 54.3165 36.6344 173.7248 78 Y 4.3649 7.6634 119.1485 57.1131 39.9598 175.2774 79 T 3.9541 7.0649 114.5776 62.5532 70.7791 173.7382 80 S 4.2449 6.4785 111.9845 58.4450 65.6533 175.6261 81 G 3.9024 8.7020 106.4849 44.7677 0.0000 173.3363 82 F 4.4482 8.6327 119.7737 57.0030 39.8652 175.4555 83 R 4.3230 8.7347 121.9132 56.4413 30.8825 177.2338 84 N 5.0583 8.5514 119.3151 52.3503 39.6476 175.7350 85 S 4.7257 8.6094 116.1750 58.6877 64.4059 172.7306 86 D 5.5299 8.3429 120.7767 53.8834 42.4511 175.9009 87 R 4.8781 9.2628 121.3038 54.6826 35.3180 173.6773 88 I 5.1413 8.6150 122.1208 59.4056 40.9566 174.1283 89 L 5.6506 9.0727 128.3747 53.1613 44.9468 175.0784 90 Y 5.6067 8.9253 121.5575 55.4127 41.7341 175.0972 91 S 4.3441 7.9742 117.0190 56.4285 65.1636 175.2747 92 S 3.5482 8.0221 115.0992 60.0137 62.7079 174.7934 93 D 4.5799 7.1887 119.1382 52.1086 39.3410 175.7824 94 W 3.8369 6.6327 117.0433 58.2658 27.2199 174.5893 95 L 4.5762 7.6356 117.1922 54.4242 42.4857 176.2809 96 I 5.4588 8.9916 122.3703 60.0787 40.8181 174.3123 97 Y 5.1999 10.0321 124.3417 56.0001 41.9571 174.5980 98 K 5.3307 9.4528 119.3228 55.6759 36.6210 175.0397 99 T 4.9025 9.1423 115.3680 60.4612 70.7984 174.0947 100 T 5.0258 8.7613 114.6332 60.2007 70.0786 173.3990 101 D 4.7686 7.6216 122.0597 53.6615 40.0698 174.7660 102 H 3.5390 8.4969 114.1064 58.8094 28.2424 174.3353 103 Y 3.2782 7.4353 111.5409 58.7852 35.6444 171.1674 104 Q 4.1936 7.7040 120.0489 58.0597 29.1264 176.3388 105 T 4.6403 8.3346 105.3792 59.6053 71.8045 172.5800 106 F 5.2530 8.4672 119.4514 56.1852 43.4208 174.4554 107 T 4.6708 8.7901 116.2352 61.5838 72.2835 173.5160 108 K 3.3808 8.5300 128.1636 56.0651 32.3924 176.2754 109 I 4.5266 8.7668 118.9488 60.4539 39.5986 175.7689 110 R 4.1872 7.6146 126.9935 56.6647 31.1185 174.5440 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 I 8.01 4.22 1.82 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.00 0.98 0.00 0.00 5 N 8.65 4.96 0.00 2.83 2.83 0.00 0.00 6.36 6.34 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 6 T 8.47 4.71 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 1.21 0.00 0.00 7 F 8.44 4.25 0.00 3.10 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 8 D 8.31 4.54 0.00 2.76 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 9 G 7.83 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 10 V 8.17 3.70 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 0.93 0.00 0.00 1.08 0.00 0.00 11 A 8.29 4.05 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 0.00 0.00 0.00 0.00 0.00 12 D 8.73 4.28 0.00 2.72 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 13 Y 8.02 3.66 0.00 3.26 3.14 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 0.00 0.00 0.00 0.00 14 L 8.25 4.07 0.00 1.97 1.77 0.47 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.65 3.62 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 16 T 6.96 3.55 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 0.47 0.00 0.00 17 Y 7.23 4.46 0.00 2.40 2.75 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 18 H 7.41 3.38 0.00 3.26 3.39 0.00 5.89 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.57 4.60 0.00 1.96 1.90 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.69 7.81 20 L 8.36 4.14 0.00 1.64 1.45 0.86 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.71 0.00 2.23 1.22 0.00 3.54 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.26 0.00 22 D 8.32 4.44 0.00 2.62 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 23 N 8.04 4.51 0.00 2.76 2.88 0.00 0.00 6.20 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 24 Y 7.75 5.11 0.00 3.08 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 25 I 8.74 5.06 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.82 0.90 0.00 0.00 26 T 9.23 4.55 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 1.38 0.00 0.00 27 K 9.53 4.01 0.00 1.97 2.23 0.00 1.86 0.00 0.00 1.98 0.00 0.00 3.12 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.61 1.75 7.81 28 S 8.17 4.31 0.00 4.10 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 0.00 29 E 8.23 4.04 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 2.36 2.36 0.00 30 A 8.35 4.04 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 31 Q 8.79 4.27 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.96 0.00 32 A 7.90 4.07 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.48 4.23 0.00 1.85 1.78 0.93 0.97 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 34 G 7.93 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 35 W 8.55 4.44 0.00 3.17 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 36 V 9.01 3.70 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 0.86 0.00 0.00 0.88 0.00 0.00 37 A 7.46 3.52 0.82 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 0.00 0.00 38 S 7.95 4.33 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 39 K 8.09 4.42 0.00 1.72 1.75 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.34 7.81 40 G 7.20 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 0.00 0.00 0.00 41 N 7.79 4.81 0.00 2.90 3.01 0.00 0.00 5.71 6.67 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 42 L 8.45 3.96 0.00 1.19 1.54 0.49 0.27 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 43 A 8.15 4.07 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 44 D 7.99 4.48 0.00 2.82 2.75 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 45 V 7.80 4.18 2.31 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 0.87 0.00 0.00 1.10 0.00 0.00 46 A 8.20 4.67 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 47 P 0.00 4.46 0.00 2.03 2.00 0.00 3.74 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 2.25 0.00 48 G 8.83 3.87 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 0.00 0.00 0.00 49 K 7.65 4.66 0.00 1.68 1.60 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.71 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.49 7.81 50 S 8.22 4.57 0.00 2.87 3.53 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 51 I 7.91 4.23 1.65 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 0.50 -0.05 0.84 0.00 0.00 52 G 8.96 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 53 G 9.67 4.61 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 54 D 7.96 4.82 0.00 2.70 2.65 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 0.00 0.00 0.00 0.00 55 I 8.31 4.31 1.87 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 1.19 0.44 0.89 0.00 0.00 56 F 8.68 4.68 0.00 3.02 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 57 S 8.12 3.82 0.00 3.50 3.28 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 58 N 6.04 4.10 0.00 2.90 2.76 0.00 0.00 7.05 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 59 R 7.88 3.82 0.00 1.73 1.90 0.00 3.14 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 60 E 8.22 4.29 0.00 2.07 1.97 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 2.34 2.29 0.00 61 G 7.69 4.10 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 0.00 0.00 0.00 62 K 7.55 4.11 0.00 2.05 2.12 0.00 1.97 0.00 0.00 1.90 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.51 7.81 63 L 7.13 3.97 0.00 0.28 0.13 -0.61 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.19 0.00 2.22 2.11 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 65 G 8.27 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 0.00 0.00 0.00 0.00 66 K 7.85 4.35 0.00 1.75 1.58 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.35 7.81 67 S 8.57 4.32 0.00 4.00 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 68 G 8.94 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 69 R 7.52 4.16 0.00 1.71 1.91 0.00 3.28 0.00 0.00 2.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.00 0.00 70 T 8.54 4.71 4.15 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 1.14 0.00 0.00 71 W 8.59 4.89 0.00 3.52 3.14 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 0.00 0.00 0.00 0.00 72 R 8.97 5.16 0.00 0.67 1.34 0.00 3.03 0.00 0.00 3.44 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.29 0.00 73 E 9.31 5.51 0.00 2.15 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 0.00 2.47 2.39 0.00 74 A 8.85 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 9.35 4.97 0.00 2.67 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 76 I 7.85 4.40 1.08 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.23 -0.05 0.00 0.00 77 N 9.04 4.12 0.00 2.76 2.84 0.00 0.00 6.88 7.89 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 78 Y 7.66 4.36 0.00 3.05 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 79 T 7.06 3.95 4.05 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 0.00 0.00 1.07 0.00 0.00 80 S 6.48 4.24 0.00 3.86 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 81 G 8.70 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 82 F 8.63 4.45 0.00 3.20 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 83 R 8.73 4.32 0.00 1.99 1.93 0.00 3.20 0.00 0.00 3.52 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.70 0.00 84 N 8.55 5.06 0.00 2.87 2.96 0.00 0.00 5.87 7.64 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 85 S 8.61 4.73 0.00 4.00 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 86 D 8.34 5.53 0.00 2.78 2.63 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 87 R 9.26 4.88 0.00 1.57 1.78 0.00 3.45 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.85 0.00 88 I 8.61 5.14 2.10 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.94 1.03 0.00 0.00 89 L 9.07 5.65 0.00 1.68 1.38 1.19 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.93 5.61 0.00 3.11 3.17 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 0.00 91 S 7.97 4.34 0.00 2.86 2.63 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 92 S 8.02 3.55 0.00 3.70 3.71 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 93 D 7.19 4.58 0.00 2.71 2.60 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 94 W 6.63 3.84 0.00 3.59 3.36 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 95 L 7.64 4.58 0.00 1.96 2.06 1.12 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.99 5.46 2.01 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.90 1.16 0.00 0.00 97 Y 10.03 5.20 0.00 2.84 2.92 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 98 K 9.45 5.33 0.00 1.25 1.68 0.00 0.61 0.00 0.00 0.73 0.00 0.00 2.51 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.04 1.03 7.81 99 T 9.14 4.90 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 1.00 0.00 0.00 100 T 8.76 5.03 4.36 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 1.21 0.00 0.00 101 D 7.62 4.77 0.00 2.84 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 0.00 102 H 8.50 3.54 0.00 3.33 3.47 0.00 6.05 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.44 3.28 0.00 3.27 3.28 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 0.00 104 Q 7.70 4.19 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 105 T 8.33 4.64 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 1.18 0.00 0.00 106 F 8.47 5.25 0.00 2.96 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 0.00 107 T 8.79 4.67 4.14 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 0.00 0.00 0.00 1.12 0.00 0.00 108 K 8.53 3.38 0.00 0.94 1.42 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.21 1.03 7.81 109 I 8.77 4.53 1.83 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 1.28 0.86 0.81 0.00 0.00 110 R 7.61 4.19 0.00 1.89 1.83 0.00 3.33 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00