NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 S 4.4438 8.1933 115.4175 58.3720 64.4050 175.0746 15 S 3.9741 8.6274 120.9237 60.3056 63.3934 173.9344 16 H 4.1889 8.6589 120.3271 58.4982 28.8715 177.3860 17 R 3.5234 7.5970 119.3718 59.1978 29.9659 178.8292 18 L 3.5923 7.4771 118.3132 57.7196 41.5775 179.6099 19 A 3.9234 7.5769 120.8296 54.8122 18.2389 179.4280 20 L 3.7823 7.3510 118.9844 58.4963 42.2366 178.4208 21 Y 4.1300 7.7775 116.9470 61.2577 37.7530 178.9725 22 R 4.0049 7.9501 119.2070 59.5155 30.0600 177.9938 23 N 4.3174 7.9996 116.6025 56.8307 39.0058 176.8408 24 Q 4.0369 8.7515 119.4417 59.0531 28.7828 178.6498 25 A 4.1557 8.8206 122.0988 54.9686 18.3961 179.6022 26 K 3.9090 8.2371 117.3304 59.9196 32.1559 179.6220 27 S 4.1099 7.8715 114.3387 61.3943 62.8703 176.2275 28 L 3.9751 8.1481 123.9364 57.9601 41.6425 178.9766 29 L 4.1027 8.1030 118.2273 57.5499 41.5635 179.3915 30 T 4.0795 7.5246 115.1816 66.7140 68.8200 176.3272 31 H 4.6649 8.1511 115.1720 55.8693 29.5808 176.7316 32 G 4.0760 9.9562 109.8986 45.2503 0.0000 172.9639 33 R 5.1121 7.4045 113.6485 55.5269 32.2312 174.0092 34 I 4.6868 8.9601 119.8207 60.2988 42.1058 173.3459 35 T 5.1790 8.4265 122.7246 62.3315 71.7412 173.4519 36 T 4.6899 8.3702 114.9847 61.0315 72.4987 173.3371 37 T 4.5723 7.9084 111.1894 61.3548 70.2157 175.6781 38 V 3.5533 8.6820 121.5574 65.7514 31.3708 176.2144 39 P 4.2317 0.0000 0.0000 65.7696 31.3058 178.7386 40 K 4.1219 8.0828 116.7819 59.4755 31.8653 179.3246 41 A 4.0249 8.0848 121.2352 54.9929 18.2270 179.8778 42 K 3.9476 8.0128 116.7927 59.5617 32.2522 179.5064 43 E 3.9087 8.1999 119.0112 59.0170 29.2216 179.2003 44 L 3.6652 7.7495 120.3926 58.2037 42.2606 178.7746 45 R 3.9591 8.1321 118.8325 59.6827 29.9144 178.6401 46 G 3.5862 7.9450 105.0515 47.3911 0.0000 175.5923 47 F 4.1759 7.8694 122.5267 61.1615 39.3844 177.4612 48 V 3.3559 8.1108 118.0811 66.1420 31.3716 177.6331 49 D 4.5203 8.0802 118.5958 57.6569 40.3882 178.4637 50 H 4.1505 7.9630 118.3470 59.1839 29.8952 177.4039 51 L 3.7431 7.4418 120.5472 57.7334 41.4209 179.5479 52 I 3.4438 7.9002 120.2083 64.3325 36.8835 177.9227 53 H 3.9925 8.0454 119.1481 59.2316 29.6940 177.3626 54 L 3.9328 7.5308 120.4763 57.7522 41.2265 179.4143 55 A 2.6463 7.4164 119.4866 54.2754 18.1482 179.5940 56 K 3.9063 7.3954 116.7406 59.4969 32.2387 179.3197 57 R 3.9321 8.0572 117.7929 57.5685 31.2798 177.6881 58 G 3.8614 7.2244 102.8147 46.5081 0.0000 172.6181 59 D 4.9785 7.4955 127.0257 50.6031 44.7406 176.0067 60 L 3.8894 8.4962 119.2388 59.9406 39.8857 179.1805 61 H 4.3804 8.2611 116.5470 57.8668 28.7591 177.5166 62 A 4.0331 7.9580 121.7026 55.3530 18.2091 179.7175 63 R 3.8454 8.4566 117.3139 59.2489 29.9293 178.8461 64 R 3.8944 7.5244 117.8613 59.4727 30.2885 178.5013 65 L 4.0901 7.9513 118.8018 57.6842 41.5192 179.7167 66 V 3.6758 8.1330 118.5180 65.8324 31.2627 177.9264 67 L 4.1736 7.5044 120.8427 57.5445 42.0147 178.4720 68 R 4.0440 7.8751 117.8938 59.3807 30.0207 177.7854 69 D 4.8793 7.9471 117.1817 55.0124 41.0900 176.1288 70 L 4.6352 8.3412 123.5966 53.4770 42.3073 176.5417 71 Q 4.1273 8.4419 129.5064 55.9607 28.8959 177.3529 72 D 4.5964 7.7878 116.9592 51.6273 44.2962 174.0051 73 V 3.5244 8.4231 126.7405 66.2558 31.7031 177.5493 74 K 3.8982 8.1896 117.5136 59.7392 31.8553 179.1387 75 L 4.0012 8.6312 119.2307 57.8544 41.8021 179.5488 76 V 3.8099 7.8607 118.1758 65.9023 31.3315 178.0270 77 R 3.7945 8.4527 118.8691 59.2213 30.0442 178.0684 78 K 3.8090 8.1227 119.4335 59.5937 32.1347 178.0209 79 L 3.9406 8.4217 120.5864 58.3655 41.7611 178.9983 80 F 3.9249 8.2604 115.6461 60.1874 39.0485 176.6266 81 D 4.8408 7.9054 114.8939 53.5416 39.6402 175.4361 82 E 4.4498 8.1374 118.3506 57.7126 32.2160 177.4882 83 I 3.7570 7.7275 118.2067 64.1716 37.4183 178.1080 84 A 3.9607 8.4134 121.8385 54.9163 18.3562 177.6958 85 P 4.1339 0.0000 0.0000 65.9495 31.1587 178.7425 86 R 3.7914 7.2864 114.8056 58.4480 30.1786 176.5834 87 Y 4.9221 7.3097 115.4951 57.6699 38.3390 177.6656 88 R 4.1139 7.8089 122.5283 58.6942 30.4733 177.4543 89 D 4.5427 8.1233 116.5882 55.6264 40.2006 177.1772 90 R 4.2243 7.5284 117.5760 56.0170 30.7992 175.5996 91 Q 4.5970 8.7910 120.0065 54.6551 29.5920 174.5022 92 G 3.4974 8.7025 102.4448 43.0156 0.0000 173.4232 93 G 3.8027 7.2635 105.3137 46.7455 0.0000 174.0222 94 Y 4.0286 7.2533 115.4529 59.1298 39.5420 176.6956 95 T 4.9598 7.3334 109.7320 59.6587 71.0798 173.6426 96 R 4.5821 9.3969 126.3672 54.5547 32.5125 174.6762 97 V 4.7718 8.3863 125.4984 61.1178 33.9712 174.3823 98 L 4.7299 9.0722 128.5003 52.5659 44.2069 176.2430 99 K 4.4898 8.7790 124.2900 56.5498 32.6155 176.8983 100 L 4.7279 8.5785 124.3849 53.1027 43.6594 176.6183 101 A 4.1518 8.5208 122.4771 54.3273 19.2579 177.7633 102 E 4.3763 7.9181 116.5957 56.1943 31.3445 175.3981 103 R 5.0139 8.1501 120.6767 53.7432 34.8258 175.1210 104 R 3.9076 8.8899 121.3736 56.3674 30.8602 176.2104 105 R 4.4868 8.8705 127.9595 55.4979 27.7214 174.8962 106 G 3.8375 7.0962 119.4886 44.1644 0.0000 170.7715 107 D 4.6096 8.2904 121.9290 51.4123 41.3303 176.3750 108 G 3.6714 8.0519 107.3206 46.5398 0.0000 173.9790 109 A 4.4636 7.4682 120.3391 50.3259 20.8385 176.5605 110 P 4.5641 0.0000 0.0000 62.9690 32.4820 175.8692 111 L 5.0196 8.2721 123.9098 54.0304 43.9762 175.5871 112 A 4.9948 8.9530 121.9978 50.5232 23.3108 174.8032 113 L 4.8645 9.1172 124.0580 53.6427 44.0812 175.2422 114 V 4.9851 9.0054 127.1233 61.2861 33.9336 174.1552 115 E 5.1009 8.8835 123.9680 55.3455 33.3808 174.0692 116 L 4.7883 7.9929 120.4551 54.2650 42.3652 177.7866 117 V 3.8762 8.6937 123.9934 60.8263 32.4560 175.9733 118 E 4.8248 8.8154 122.2277 56.7738 30.0599 176.5877 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 14 S 8.19 4.44 0.00 4.01 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 15 S 8.63 3.97 0.00 3.77 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 16 H 8.66 4.19 0.00 3.13 3.30 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.60 3.52 0.00 1.50 1.28 0.00 3.12 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 18 L 7.48 3.59 0.00 1.55 1.66 1.03 0.75 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 19 A 7.58 3.92 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 20 L 7.35 3.78 0.00 1.74 1.65 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.78 4.13 0.00 2.38 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.95 4.00 0.00 2.03 2.16 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 23 N 8.00 4.32 0.00 2.95 2.99 0.00 0.00 7.29 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 24 Q 8.75 4.04 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 25 A 8.82 4.16 1.69 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 26 K 8.24 3.91 0.00 2.09 1.91 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.78 7.81 27 S 7.87 4.11 0.00 4.09 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 0.00 28 L 8.15 3.98 0.00 1.86 1.92 0.96 0.52 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 29 L 8.10 4.10 0.00 1.96 1.73 0.95 1.27 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 30 T 7.52 4.08 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 1.15 0.00 0.00 31 H 8.15 4.66 0.00 3.15 3.34 0.00 5.69 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 9.96 4.08 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 0.00 33 R 7.40 5.11 0.00 1.81 1.89 0.00 3.07 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 34 I 8.96 4.69 1.91 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 1.28 1.51 0.94 0.00 0.00 35 T 8.43 5.18 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 1.30 0.00 0.00 36 T 8.37 4.69 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 1.23 0.00 0.00 37 T 7.91 4.57 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 38 V 8.68 3.55 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 0.98 0.00 0.00 39 P 0.00 4.23 0.00 2.21 2.10 0.00 3.62 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 2.12 2.19 0.00 40 K 8.08 4.12 0.00 1.85 1.91 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.50 7.81 41 A 8.08 4.02 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 42 K 8.01 3.95 0.00 1.97 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.68 7.81 43 E 8.20 3.91 0.00 2.16 1.79 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 2.42 2.34 0.00 44 L 7.75 3.67 0.00 1.94 1.78 0.95 0.99 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 45 R 8.13 3.96 0.00 1.90 2.13 0.00 3.11 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 46 G 7.95 3.59 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 0.00 0.00 0.00 47 F 7.87 4.18 0.00 2.81 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 48 V 8.11 3.36 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 1.01 0.00 0.00 1.02 0.00 0.00 49 D 8.08 4.52 0.00 2.94 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 50 H 7.96 4.15 0.00 3.27 3.43 0.00 5.78 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 51 L 7.44 3.74 0.00 1.68 1.50 0.59 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.90 3.44 1.50 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.99 -0.01 0.00 0.00 53 H 8.05 3.99 0.00 3.35 3.39 0.00 5.59 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 54 L 7.53 3.93 0.00 1.74 1.63 0.90 0.78 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 55 A 7.42 2.65 0.66 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 56 K 7.40 3.91 0.00 1.77 1.76 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.41 7.81 57 R 8.06 3.93 0.00 1.78 2.07 0.00 3.31 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.64 0.00 58 G 7.22 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 59 D 7.50 4.98 0.00 2.85 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 60 L 8.50 3.89 0.00 1.71 1.93 0.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 61 H 8.26 4.38 0.00 3.37 3.39 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.96 4.03 1.59 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 0.00 0.00 63 R 8.46 3.85 0.00 1.69 1.81 0.00 2.48 0.00 0.00 2.82 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.75 0.00 64 R 7.52 3.89 0.00 2.16 2.14 0.00 3.17 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 65 L 7.95 4.09 0.00 1.92 1.76 0.97 0.98 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 66 V 8.13 3.68 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 1.15 0.00 0.00 1.10 0.00 0.00 67 L 7.50 4.17 0.00 1.73 1.86 0.91 0.96 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 68 R 7.88 4.04 0.00 2.04 2.19 0.00 3.34 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 69 D 7.95 4.88 0.00 2.90 2.97 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 70 L 8.34 4.64 0.00 1.85 1.62 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.44 4.13 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 72 D 7.79 4.60 0.00 2.70 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 73 V 8.42 3.52 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 0.98 0.00 0.00 0.92 0.00 0.00 74 K 8.19 3.90 0.00 2.00 1.88 0.00 1.60 0.00 0.00 1.86 0.00 0.00 3.39 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.62 7.81 75 L 8.63 4.00 0.00 1.87 1.74 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.86 3.81 2.18 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 0.86 0.00 0.00 0.99 0.00 0.00 77 R 8.45 3.79 0.00 1.98 2.07 0.00 3.16 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 78 K 8.12 3.81 0.00 1.96 2.05 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.80 7.81 79 L 8.42 3.94 0.00 1.97 1.80 0.85 0.89 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 80 F 8.26 3.92 0.00 3.11 3.13 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 81 D 7.91 4.84 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 82 E 8.14 4.45 0.00 1.91 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 2.17 2.21 0.00 83 I 7.73 3.76 1.98 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 1.58 1.28 1.08 0.00 0.00 84 A 8.41 3.96 1.21 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 0.00 0.00 85 P 0.00 4.13 0.00 2.09 2.08 0.00 3.59 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 2.16 2.12 0.00 86 R 7.29 3.79 0.00 1.69 1.34 0.00 3.22 0.00 0.00 3.03 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.42 0.00 87 Y 7.31 4.92 0.00 3.01 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 88 R 7.81 4.11 0.00 1.82 2.05 0.00 3.24 0.00 0.00 3.26 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 89 D 8.12 4.54 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 90 R 7.53 4.22 0.00 2.12 2.13 0.00 3.13 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 91 Q 8.79 4.60 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 92 G 8.70 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 93 G 7.26 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 0.00 0.00 0.00 94 Y 7.25 4.03 0.00 2.61 1.81 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 95 T 7.33 4.96 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 1.30 0.00 0.00 96 R 9.40 4.58 0.00 1.86 1.81 0.00 3.03 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 97 V 8.39 4.77 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 0.88 0.00 0.00 0.92 0.00 0.00 98 L 9.07 4.73 0.00 1.55 1.55 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.78 4.49 0.00 1.64 1.75 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 100 L 8.58 4.73 0.00 1.51 1.58 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.52 4.15 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 0.00 102 E 7.92 4.38 0.00 2.07 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 2.37 2.34 0.00 103 R 8.15 5.01 0.00 1.68 1.79 0.00 3.26 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 104 R 8.89 3.91 0.00 1.98 1.88 0.00 3.09 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 105 R 8.87 4.49 0.00 1.81 1.86 0.00 3.52 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 106 G 7.10 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 0.00 107 D 8.29 4.61 0.00 2.76 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 0.00 108 G 8.05 3.67 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 0.00 0.00 0.00 109 A 7.47 4.46 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 0.00 110 P 0.00 4.56 0.00 2.13 2.21 0.00 3.69 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 2.07 2.00 0.00 111 L 8.27 5.02 0.00 1.77 1.62 0.96 0.57 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 0.00 112 A 8.95 4.99 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 0.00 113 L 9.12 4.86 0.00 1.69 1.65 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 114 V 9.01 4.99 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 0.96 0.00 0.00 0.94 0.00 0.00 115 E 8.88 5.10 0.00 2.23 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 2.22 2.30 0.00 116 L 7.99 4.79 0.00 1.74 1.80 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.69 3.88 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 0.71 0.00 0.00 0.97 0.00 0.00 118 E 8.82 4.82 0.00 2.21 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 0.00 2.09 2.05 0.00