NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7242 8.2676 118.2181 52.8383 38.7661 174.1507 2 C 4.1102 8.3758 111.8962 59.1309 29.4435 173.4301 3 S 4.1681 8.4469 116.0965 61.0409 62.4548 176.7108 4 K 4.1993 7.7401 120.6452 57.9869 31.9219 177.4279 5 I 4.4392 7.4861 109.4590 60.4020 39.3403 174.7520 6 H 5.0935 8.2468 118.2488 54.0742 31.2665 173.8958 7 L 4.5141 8.1306 120.4179 53.6048 43.6564 176.0369 8 S 4.8133 8.5400 118.1476 58.0100 63.5596 175.0661 9 T 4.0256 8.7322 116.0087 63.6726 68.7360 175.6893 10 K 4.2450 7.8862 120.6660 58.2115 32.9732 177.5484 11 L 4.3034 8.0664 119.8335 55.3063 42.0568 176.6429 12 L 4.4138 7.6835 120.2304 54.5516 42.1177 177.0276 13 A 4.0546 8.9266 127.8834 55.1272 18.5513 178.2713 14 V 3.6540 7.2840 113.9568 62.3635 32.3093 176.0241 15 D 4.5435 7.8950 126.6347 52.9559 39.5262 175.8080 16 F 4.6883 7.8194 121.4109 55.7038 40.4987 174.3518 17 P 4.5088 0.0000 0.0000 62.4733 33.1463 177.6820 18 A 4.0819 8.5718 122.2842 55.8271 18.4070 180.0433 19 H 4.3895 8.1396 114.2144 58.6880 28.5610 177.6719 20 F 4.1588 8.2290 122.4240 61.1321 39.1213 177.1803 21 V 3.4502 7.6663 116.9168 65.9058 31.7094 177.6149 22 K 4.0462 8.1482 119.6197 59.3851 31.7943 178.9754 23 S 4.1171 7.6844 113.9864 60.3848 63.1173 175.4857 24 I 4.3453 6.9870 114.6599 59.8611 37.6561 174.9803 25 S 5.1255 6.8290 115.8387 56.9228 64.9366 173.4680 26 C 4.1822 8.7015 124.3210 59.2390 31.5362 174.5897 27 Q 4.0945 8.0761 125.7361 57.6622 28.0736 176.7314 28 I 4.3056 7.4992 117.8278 63.0553 38.8963 176.5611 29 C 4.1888 7.8902 114.3885 58.8549 30.2704 175.0058 30 E 3.7324 8.4555 118.5800 56.9882 27.5235 173.8064 31 H 4.7879 7.3914 116.6023 54.5820 30.9942 174.5043 32 I 4.0180 8.4513 121.3872 61.2714 37.2724 176.6920 33 L 3.9064 8.2113 126.2414 55.5822 42.2119 176.6175 34 A 4.3730 8.3646 124.8396 50.1527 20.9011 175.5669 35 D 4.2859 8.6128 123.4762 54.8863 39.1442 171.0126 36 P 4.9445 0.0000 0.0000 63.0973 32.6952 177.8706 37 V 4.7559 8.6907 114.4589 59.7966 35.8677 173.8476 38 E 4.9990 9.1789 124.7949 54.5558 31.9524 176.0349 39 T 4.3004 8.6926 117.0625 60.9445 69.9920 175.6605 40 S 4.1170 8.7664 118.4346 61.9322 62.8693 175.3606 41 C 4.3768 8.1626 112.4617 57.7876 29.2972 173.3200 42 K 4.3897 7.9477 116.9589 57.7891 29.7710 174.9217 43 H 4.9282 7.8720 114.7162 54.1567 31.8295 173.7697 44 L 5.0831 7.6661 120.3583 53.3505 44.4343 175.4416 45 F 5.0623 8.3517 119.6207 56.1699 44.2707 173.8660 46 C 4.5646 8.9151 119.5804 59.6727 28.5535 174.6909 47 R 3.9326 9.0269 124.8301 60.0344 29.4068 178.8517 48 I 3.8701 7.7716 111.9437 63.9372 37.7398 177.8854 49 C 4.1811 8.1573 118.6264 62.5820 27.9684 175.8766 50 I 3.4235 7.6807 119.7375 64.0448 37.5946 177.7360 51 L 3.9513 7.5904 119.3604 57.7693 41.3196 179.5883 52 R 3.9037 7.7701 118.8830 59.5501 30.0253 178.3819 53 C 4.1102 7.8594 116.4233 62.6504 28.1272 176.0676 54 L 4.7103 7.9339 122.1151 57.5188 40.8950 178.2894 55 K 4.1751 7.6460 119.6345 58.8094 32.1686 178.8378 56 V 3.7360 8.3100 116.3417 63.9333 31.8485 177.6970 57 M 4.4810 9.2497 117.0836 54.8168 33.5914 175.6111 58 G 4.3060 6.2518 103.2681 43.3956 0.0000 173.3345 59 S 4.5271 7.6065 117.5981 56.7916 60.6400 173.2954 60 Y 5.2543 7.0011 116.4343 56.0513 42.8730 175.8827 61 C 4.1365 9.1456 124.2137 58.9388 32.0554 172.8916 62 P 4.4358 0.0000 0.0000 65.8134 31.3644 178.1776 63 S 4.2851 8.4306 113.5942 61.2676 62.8857 174.8003 64 C 4.5744 7.9030 110.9149 57.2546 30.7270 174.4023 65 R 4.0395 8.5230 118.6877 57.0674 27.6908 175.0264 66 Y 4.6701 7.8671 119.3881 56.0083 40.4241 172.6718 67 P 4.3535 0.0000 0.0000 63.2872 32.0114 175.0601 68 C 4.7392 8.0109 123.8666 57.7008 34.5237 173.1751 69 F 4.7726 8.7323 123.4017 54.6889 42.2167 174.2835 70 P 4.2456 0.0000 0.0000 66.2269 31.2265 178.3660 71 T 4.0913 7.9480 110.2368 63.9344 67.4210 174.2356 72 D 4.5689 8.4605 119.8206 55.6063 41.4048 176.2858 73 L 4.3344 7.7454 119.1461 55.2269 41.9007 176.2860 74 E 4.7124 8.7880 124.4802 54.5427 33.0419 174.8578 75 S 4.9088 8.3784 114.6968 56.5748 63.5843 172.4469 76 P 4.6815 0.0000 0.0000 61.4889 32.1370 177.2036 77 V 3.7964 8.2662 120.4620 61.9352 32.8792 177.1760 78 K 3.8928 8.5959 120.5317 60.1544 31.6572 179.2204 79 S 4.1141 8.1910 114.7111 61.4999 62.6743 176.5500 80 F 4.1196 8.1553 122.9170 61.2400 39.3411 177.0260 81 L 3.9011 7.9509 118.4470 58.0049 41.1403 179.3900 82 N 4.3524 8.1368 115.7251 56.2539 38.2302 177.2732 83 I 3.7956 7.2552 120.4864 64.0594 37.2997 178.2265 84 L 3.7004 7.3525 121.0072 58.2344 42.1456 178.7301 85 N 4.4710 8.5007 115.9786 55.3029 38.2121 176.4918 86 S 4.5974 7.3864 114.2619 57.6030 64.3259 174.2782 87 L 4.1445 7.3037 122.2823 55.9134 42.6646 176.3622 88 M 4.9619 8.8461 122.9580 54.6504 33.8455 175.5057 89 V 4.8482 8.9330 122.8003 59.7214 35.0685 174.9860 90 K 4.7299 9.3728 124.4410 55.5191 32.3157 176.6593 91 C 4.4093 8.6931 127.2794 59.1933 31.8119 171.5414 92 P 4.6207 0.0000 0.0000 62.5129 31.7832 175.8355 93 A 3.9695 7.8292 123.5323 52.0394 18.7931 176.8077 94 Q 4.0343 8.6579 122.8003 58.0236 29.1424 177.3421 95 D 4.5273 8.8516 122.8018 54.7479 39.2769 173.2247 96 C 4.4088 7.9710 120.3839 58.7889 32.4874 173.5567 97 N 5.1370 8.6078 125.2684 52.8259 38.8826 173.9038 98 E 4.8267 7.7958 117.5812 54.5677 33.3430 176.5457 99 E 5.2416 8.7114 121.9842 54.8187 32.3339 175.6941 100 V 4.7463 8.6932 116.2185 59.3450 37.0279 175.3095 101 S 4.7737 8.6087 116.5032 57.8802 63.7413 174.9901 102 L 3.9801 8.4382 123.9818 58.2397 41.9331 179.3437 103 E 4.0555 8.0643 115.3245 58.5010 30.0131 178.0940 104 K 4.4273 7.8811 117.2348 56.4650 32.2884 177.7335 105 Y 4.0521 7.6610 121.4105 61.0484 38.9307 177.4953 106 N 4.2759 8.4789 116.8502 56.7799 38.5291 176.7407 107 H 4.2124 8.1786 119.1406 59.2788 29.8278 176.6940 108 H 4.2520 7.7391 120.6034 58.5959 30.0109 177.3566 109 V 3.6024 7.7408 114.8105 64.2655 31.1587 178.6110 110 S 4.0663 7.5508 112.4454 61.5366 63.0856 176.4563 111 S 4.1344 8.0206 117.8419 58.8240 62.5383 173.8565 112 H 4.0626 7.3480 120.7845 55.7297 28.9181 174.8992 113 K 4.0587 8.4392 125.6586 56.0804 32.5253 176.5974 114 E 4.3685 8.4654 125.9006 55.3253 30.6934 176.1744 115 S 4.0175 8.3023 117.8671 56.7863 62.6484 175.0155 116 K 4.1489 8.5374 127.2582 57.4193 32.0691 174.8792 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 N 8.27 4.72 0.00 2.99 3.08 0.00 0.00 5.89 6.79 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 2 C 8.38 4.11 0.00 2.84 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 3 S 8.45 4.17 0.00 4.07 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 4 K 7.74 4.20 0.00 1.81 1.85 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.44 7.81 5 I 7.49 4.44 1.87 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 1.32 0.56 0.91 0.00 0.00 6 H 8.25 5.09 0.00 2.74 3.06 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.13 4.51 0.00 1.51 1.44 0.86 -0.07 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 8 S 8.54 4.81 0.00 3.96 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 9 T 8.73 4.03 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 10 K 7.89 4.25 0.00 1.92 1.99 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.42 7.81 11 L 8.07 4.30 0.00 1.77 1.71 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.68 4.41 0.00 1.80 1.70 1.10 0.99 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 13 A 8.93 4.05 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 14 V 7.28 3.65 0.92 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 -0.02 0.00 0.00 0.71 0.00 0.00 15 D 7.90 4.54 0.00 2.58 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 16 F 7.82 4.69 0.00 3.31 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 17 P 0.00 4.51 0.00 2.28 2.03 0.00 3.81 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 18 A 8.57 4.08 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 19 H 8.14 4.39 0.00 3.24 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.23 4.16 0.00 3.11 3.21 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 21 V 7.67 3.45 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 0.87 0.00 0.00 1.17 0.00 0.00 22 K 8.15 4.05 0.00 1.95 2.01 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.58 7.81 23 S 7.68 4.12 0.00 4.02 4.01 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 24 I 6.99 4.35 1.67 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 1.00 0.27 0.44 0.00 0.00 25 S 6.83 5.13 0.00 3.96 3.76 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 26 C 8.70 4.18 0.00 2.95 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 27 Q 8.08 4.09 0.00 1.68 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.56 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 28 I 7.50 4.31 2.04 0.00 0.00 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 1.51 0.81 0.95 0.00 0.00 29 C 7.89 4.19 0.00 3.15 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 30 E 8.46 3.73 0.00 2.07 2.11 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 2.21 2.25 0.00 31 H 7.39 4.79 0.00 3.26 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.45 4.02 1.81 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 1.19 0.58 0.85 0.00 0.00 33 L 8.21 3.91 0.00 1.55 1.67 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.36 4.37 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 35 D 8.61 4.29 0.00 2.94 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 36 P 0.00 4.94 0.00 2.19 2.11 0.00 3.79 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 2.06 2.09 0.00 37 V 8.69 4.76 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 0.75 0.00 0.00 1.11 0.00 0.00 38 E 9.18 5.00 0.00 1.92 1.77 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 2.17 2.14 0.00 39 T 8.69 4.30 4.37 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 1.48 0.00 0.00 40 S 8.77 4.12 0.00 4.02 4.09 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 0.00 0.00 0.00 0.00 41 C 8.16 4.38 0.00 3.04 3.03 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 42 K 7.95 4.39 0.00 1.74 1.81 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.41 7.81 43 H 7.87 4.93 0.00 3.27 3.02 0.00 5.60 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 44 L 7.67 5.08 0.00 1.28 1.36 0.37 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.35 5.06 0.00 3.00 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 46 C 8.92 4.56 0.00 3.07 3.04 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 0.00 0.00 0.00 47 R 9.03 3.93 0.00 2.03 2.01 0.00 3.16 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 48 I 7.77 3.87 1.90 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 1.72 1.01 0.95 0.00 0.00 49 C 8.16 4.18 0.00 3.24 3.09 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 0.00 0.00 0.00 0.00 50 I 7.68 3.42 1.75 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.04 1.04 0.00 0.00 51 L 7.59 3.95 0.00 1.73 1.69 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.77 3.90 0.00 1.79 2.04 0.00 3.23 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 53 C 7.86 4.11 0.00 2.96 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 54 L 7.93 4.71 0.00 1.74 1.57 0.82 0.51 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 55 K 7.65 4.18 0.00 1.83 1.78 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 56 V 8.31 3.74 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 0.78 0.00 0.00 0.94 0.00 0.00 57 M 9.25 4.48 0.00 1.97 2.27 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.64 0.00 58 G 6.25 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 59 S 7.61 4.53 0.00 3.08 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 60 Y 7.00 5.25 0.00 2.78 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 61 C 9.15 4.14 0.00 3.13 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 62 P 0.00 4.44 0.00 2.14 2.07 0.00 3.28 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.89 0.00 63 S 8.43 4.29 0.00 3.75 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 64 C 7.90 4.57 0.00 3.08 3.04 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 0.00 0.00 0.00 65 R 8.52 4.04 0.00 1.94 2.00 0.00 3.08 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 66 Y 7.87 4.67 0.00 3.08 2.91 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 67 P 0.00 4.35 0.00 1.81 1.98 0.00 2.63 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.31 0.00 68 C 8.01 4.74 0.00 3.04 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.73 4.77 0.00 3.30 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 70 P 0.00 4.25 0.00 2.21 2.14 0.00 3.73 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 2.14 2.08 0.00 71 T 7.95 4.09 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 72 D 8.46 4.57 0.00 2.98 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 73 L 7.75 4.33 0.00 1.77 1.69 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.79 4.71 0.00 1.92 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 2.26 2.38 0.00 75 S 8.38 4.91 0.00 3.90 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 76 P 0.00 4.68 0.00 2.30 1.98 0.00 3.88 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 77 V 8.27 3.80 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 0.91 0.00 0.00 0.96 0.00 0.00 78 K 8.60 3.89 0.00 1.91 1.87 0.00 1.64 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.61 7.81 79 S 8.19 4.11 0.00 3.96 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 80 F 8.16 4.12 0.00 3.16 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 81 L 7.95 3.90 0.00 1.97 1.71 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.14 4.35 0.00 2.83 2.85 0.00 0.00 7.08 7.91 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 83 I 7.26 3.80 1.74 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.07 0.93 0.00 0.00 84 L 7.35 3.70 0.00 1.08 1.50 0.80 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.50 4.47 0.00 2.79 3.00 0.00 0.00 7.05 6.98 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 86 S 7.39 4.60 0.00 3.97 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 87 L 7.30 4.14 0.00 1.66 1.73 0.87 0.81 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 88 M 8.85 4.96 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.52 0.00 89 V 8.93 4.85 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 0.79 0.00 0.00 0.82 0.00 0.00 90 K 9.37 4.73 0.00 1.65 1.85 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.39 7.81 91 C 8.69 4.41 0.00 3.09 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 92 P 0.00 4.62 0.00 2.25 2.18 0.00 4.01 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 93 A 7.83 3.97 1.16 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 94 Q 8.66 4.03 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 5.95 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 95 D 8.85 4.53 0.00 2.89 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 96 C 7.97 4.41 0.00 3.08 3.09 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 0.00 0.00 0.00 0.00 97 N 8.61 5.14 0.00 2.71 2.74 0.00 0.00 6.97 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 98 E 7.80 4.83 0.00 1.86 1.71 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 2.29 2.25 0.00 99 E 8.71 5.24 0.00 1.81 1.84 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 2.20 2.30 0.00 100 V 8.69 4.75 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 0.66 0.00 0.00 1.09 0.00 0.00 101 S 8.61 4.77 0.00 4.03 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 0.00 102 L 8.44 3.98 0.00 1.76 1.84 0.80 0.78 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 0.00 103 E 8.06 4.06 0.00 2.18 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 0.00 2.45 2.30 0.00 104 K 7.88 4.43 0.00 1.92 1.93 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.46 7.81 105 Y 7.66 4.05 0.00 3.20 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 0.00 106 N 8.48 4.28 0.00 2.91 2.91 0.00 0.00 6.64 8.16 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 0.00 107 H 8.18 4.21 0.00 3.26 3.49 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 H 7.74 4.25 0.00 3.13 3.33 0.00 5.86 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.74 3.60 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 0.23 0.00 0.00 0.87 0.00 0.00 110 S 7.55 4.07 0.00 4.02 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 0.00 111 S 8.02 4.13 0.00 3.93 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 H 7.35 4.06 0.00 3.43 3.21 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.44 4.06 0.00 1.67 1.71 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.51 7.81 114 E 8.47 4.37 0.00 1.99 1.88 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 2.29 2.31 0.00 115 S 8.30 4.02 0.00 3.85 3.70 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 0.00 116 K 8.54 4.15 0.00 1.83 1.73 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.36 1.40 7.81