NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.6671 8.3193 116.7510 58.6482 65.0586 174.1990 3 V 4.0544 7.8090 117.7901 61.6013 32.4904 174.0885 4 T 4.7968 9.9394 119.9808 62.1365 73.5833 174.0715 5 Q 5.1383 8.7246 123.9896 53.6999 30.8421 173.8776 6 P 4.3116 0.0000 0.0000 64.5504 32.0454 176.0002 7 D 4.5718 7.9525 118.4862 52.9382 40.0639 175.9198 8 A 4.2741 8.2802 127.1411 53.7561 18.9184 176.5825 9 R 4.9003 7.7654 112.9037 54.3288 32.3516 174.2060 10 V 4.4077 8.6834 125.2761 61.1685 33.5408 174.2169 11 T 5.1665 8.5131 118.7877 60.3179 70.8405 174.6194 12 V 4.5098 8.2431 123.2475 60.0321 35.0915 174.4107 13 S 4.5979 8.9437 121.5420 58.3389 63.3606 173.7500 14 E 4.0499 8.5359 123.0253 57.0248 30.3796 178.0021 15 G 4.5663 9.0765 110.3221 45.4224 0.0000 174.2721 16 A 4.6377 7.6623 120.8605 51.6787 19.8358 176.3120 17 S 5.4735 8.4522 109.7438 55.8674 65.6848 173.4512 18 L 4.7988 8.1669 122.5712 53.4757 45.8911 175.3701 19 Q 4.6819 8.3082 124.3056 54.8042 31.5853 173.7510 20 L 4.4292 8.9957 128.7630 53.9653 43.0897 176.4546 21 R 5.0194 8.3141 123.6950 55.8398 31.1387 175.5253 22 C 5.2344 8.8977 122.9316 55.2086 46.7768 172.4012 23 K 5.0585 9.0910 125.5920 54.9591 35.0702 175.6893 24 Y 4.9198 7.4426 121.9684 56.1593 41.1685 175.2565 25 S 4.6081 8.9989 108.2257 59.1415 65.3509 175.7600 26 Y 3.7008 8.9054 120.5484 60.0810 39.0279 177.1820 27 S 4.0700 7.9588 112.2537 59.2153 62.3768 170.5177 28 A 4.7328 7.7236 124.5174 53.1080 22.1217 177.3887 29 T 4.5724 8.0400 105.4497 57.4553 69.3456 173.1869 30 P 3.7366 0.0000 0.0000 64.1034 32.1864 176.3752 31 Y 4.5539 8.0236 124.3815 55.7729 39.3083 173.0541 32 L 4.5667 7.6990 123.3785 53.3070 43.6472 175.5819 33 F 5.6193 9.1683 120.5074 55.6893 44.0279 173.7007 34 W 5.5211 9.7401 119.7968 55.3978 32.9653 174.3046 35 Y 5.3086 10.2919 121.7813 56.1295 41.8870 174.6608 36 V 4.3610 8.6793 122.3646 59.7079 34.5074 174.3524 37 Q 4.5995 8.2898 124.6187 54.5030 31.5644 173.7738 38 Y 4.4619 8.3520 124.3613 56.3138 39.7991 173.4431 39 P 4.1670 0.0000 0.0000 63.3142 32.3672 175.3964 40 R 3.8086 8.7337 118.2998 57.0708 28.5849 174.9897 41 Q 4.7114 7.8246 113.2703 53.7513 32.6356 174.2092 42 G 4.2352 8.2902 105.2298 43.7814 0.0000 171.8723 43 P 4.6511 0.0000 0.0000 63.1872 32.1188 175.5326 44 Q 4.8249 9.1942 121.4853 53.4791 32.7956 174.7114 45 L 2.8632 8.3807 124.2337 55.5359 41.5937 175.9640 46 L 4.4701 8.6683 129.2897 56.1961 43.8087 176.0888 47 L 4.8640 7.3395 116.1173 55.2495 42.6739 173.2224 48 K 5.2028 8.8465 118.8407 55.5265 36.4178 174.5168 49 Y 3.7186 9.1551 123.8064 56.9104 40.4938 174.2797 50 Y 3.9548 7.3073 126.3812 57.7213 38.1953 175.6529 51 S 4.6529 7.0655 120.8474 58.1220 65.6913 175.6420 52 G 3.6437 8.4686 125.0137 45.7910 0.0000 172.8552 53 D 4.6003 8.6690 130.3530 52.6551 41.5670 173.5417 54 P 4.9767 0.0000 0.0000 65.7041 32.2202 175.8522 55 V 4.6051 7.6774 112.9175 59.6708 32.3228 175.9529 56 V 3.7192 9.4982 128.7184 62.8263 32.5462 175.1210 57 Q 4.1668 8.8108 130.4070 55.0665 27.9260 176.8136 58 G 4.0425 8.4844 120.0688 44.8514 0.0000 170.7179 59 V 4.4617 7.3450 116.3268 62.0808 34.7961 175.5935 60 N 4.1874 9.4327 119.0481 54.7262 36.8404 173.9259 61 G 3.6988 8.1481 101.5870 46.3454 0.0000 173.5800 62 F 5.0189 7.5009 115.7928 55.5852 42.2990 174.7683 63 E 5.5361 8.8319 120.6165 55.6055 33.5322 173.6623 64 A 5.4128 8.4081 125.8028 48.9724 23.1122 174.0811 65 E 5.1584 8.6520 121.9237 54.5358 32.2096 174.4453 66 F 5.0138 10.0180 131.5488 57.4388 39.8318 175.3176 67 S 4.2609 8.4987 124.2210 56.0900 62.7329 174.8855 68 K 3.4716 7.6208 126.0293 58.3317 31.4488 177.4442 69 S 3.9491 7.2176 113.3187 62.2593 63.0496 174.2474 70 N 4.4204 7.9393 119.3155 53.3418 39.2635 175.4448 71 S 3.3374 7.9776 113.9198 58.9146 62.4127 170.7774 72 S 4.6562 7.0014 113.6437 56.9362 67.2628 174.7610 73 F 6.3000 9.4385 121.8615 56.3460 38.0791 174.0898 74 H 4.8272 8.1890 118.8719 55.8439 30.7391 175.2956 75 L 4.8043 9.0438 124.0770 53.0801 44.2048 175.3643 76 R 5.6606 8.6806 121.3096 54.2236 33.0767 173.7779 77 K 4.0859 8.2655 120.5478 54.5150 35.7820 175.2999 78 A 4.0505 8.1338 128.0552 53.0112 18.5287 176.2032 79 S 5.2921 7.4982 105.1498 55.3968 65.2474 173.7392 80 V 4.2741 9.0104 129.0427 61.9988 30.5699 174.6279 81 H 4.6135 8.3211 123.1282 55.1319 29.3984 176.7201 82 R 4.1450 8.5297 122.4804 58.2658 30.0830 176.7773 83 S 4.7001 8.0041 111.1844 59.2641 63.0589 173.9282 84 D 5.2690 7.8350 117.9050 54.9108 41.3665 177.6375 85 S 5.0913 8.3312 116.9148 57.5725 61.0396 172.6996 86 A 4.5174 7.9859 125.2810 50.9124 23.1840 174.9638 87 V 4.3768 7.7717 112.2347 60.9165 33.4682 175.4839 88 Y 4.9166 8.9733 121.9317 56.1492 41.0738 174.6884 89 F 5.4078 9.6709 122.2365 55.8502 42.7880 173.2052 90 C 4.6517 8.8076 122.3624 54.8718 47.4879 172.1075 91 A 4.9260 8.5691 125.3210 51.3262 23.1470 175.0203 92 V 4.9924 8.0874 110.5041 59.6512 35.7272 175.9089 93 S 4.3810 8.6326 118.5695 58.4062 63.5279 174.0572 94 G 3.9759 8.3544 113.8352 44.4964 0.0000 173.9790 95 F 4.3555 8.0688 113.5996 59.3270 38.0355 175.7816 96 A 4.6116 7.4196 121.6609 51.4834 18.8701 176.1348 97 S 3.6571 7.5729 110.0398 60.6454 61.2334 170.7650 98 A 4.5745 7.3983 118.8422 49.7218 21.5416 176.7970 99 L 4.1599 7.8132 120.6673 54.1375 43.2502 176.7517 100 T 4.1127 8.0882 120.2365 61.6525 70.2048 173.6885 101 F 4.8820 8.1964 125.4173 57.0283 40.1245 176.2025 102 G 3.9727 9.2498 110.3468 45.4019 0.0000 173.7862 103 S 4.3420 8.9280 115.6753 61.0931 62.8091 176.5053 104 G 3.6206 8.9041 107.2468 45.9976 0.0000 172.5136 105 T 4.9083 8.8829 121.4476 61.6921 71.2095 173.3141 106 K 4.5240 8.8170 128.5446 55.2769 34.1928 175.1505 107 V 5.4255 8.6649 127.6268 60.6961 33.7601 174.2778 108 I 4.4306 8.3442 129.0254 59.6046 39.0221 174.6276 109 V 4.9135 7.7790 127.8205 61.4801 32.3795 175.9952 110 L 4.3208 8.4789 126.3957 55.0329 41.8543 176.7684 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 2 S 8.32 4.67 0.00 3.85 4.11 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 3 V 7.81 4.05 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 0.76 0.00 0.00 1.01 0.00 0.00 4 T 9.94 4.80 4.28 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 1.25 0.00 0.00 5 Q 8.72 5.14 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.13 0.00 0.00 0.00 0.00 0.00 2.53 2.37 0.00 6 P 0.00 4.31 0.00 2.21 2.21 0.00 4.07 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 2.04 2.04 0.00 7 D 7.95 4.57 0.00 2.74 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 8 A 8.28 4.27 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 9 R 7.77 4.90 0.00 1.76 1.91 0.00 3.05 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 10 V 8.68 4.41 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 0.97 0.00 0.00 0.94 0.00 0.00 11 T 8.51 5.17 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 12 V 8.24 4.51 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 0.68 0.00 0.00 0.96 0.00 0.00 13 S 8.94 4.60 0.00 3.77 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.54 4.05 0.00 2.11 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 0.00 2.35 2.31 0.00 15 G 9.08 4.57 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 16 A 7.66 4.64 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 17 S 8.45 5.47 0.00 3.91 3.83 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 18 L 8.17 4.80 0.00 1.66 1.38 0.86 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.31 4.68 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.64 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 20 L 9.00 4.43 0.00 1.12 1.71 0.85 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.31 5.02 0.00 1.76 2.05 0.00 3.12 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 22 C 8.90 5.23 0.00 3.26 3.41 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 23 K 9.09 5.06 0.00 1.71 1.54 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.24 1.34 7.81 24 Y 7.44 4.92 0.00 3.15 3.19 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 25 S 9.00 4.61 0.00 3.96 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 26 Y 8.91 3.70 0.00 3.01 2.89 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 27 S 7.96 4.07 0.00 4.37 4.54 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 28 A 7.72 4.73 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 29 T 8.04 4.57 4.11 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 1.18 0.00 0.00 30 P 0.00 3.74 0.00 1.28 1.09 0.00 3.45 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 31 Y 8.02 4.55 0.00 2.80 2.67 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 32 L 7.70 4.57 0.00 0.27 0.42 0.52 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.17 5.62 0.00 3.12 3.22 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 0.00 34 W 9.74 5.52 0.00 3.52 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 35 Y 10.29 5.31 0.00 3.07 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 36 V 8.68 4.36 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 -0.28 0.00 0.00 37 Q 8.29 4.60 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.94 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 38 Y 8.35 4.46 0.00 3.02 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 39 P 0.00 4.17 0.00 2.08 2.05 0.00 3.96 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 40 R 8.73 3.81 0.00 1.90 1.96 0.00 3.19 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 41 Q 7.82 4.71 0.00 2.36 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.42 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 42 G 8.29 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 43 P 0.00 4.65 0.00 1.84 1.98 0.00 3.52 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 1.55 2.00 0.00 44 Q 9.19 4.82 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 45 L 8.38 2.86 0.00 1.42 1.48 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.67 4.47 0.00 1.69 1.80 0.52 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.34 4.86 0.00 1.86 1.77 1.24 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.85 5.20 0.00 1.46 1.96 0.00 1.94 0.00 0.00 1.97 0.00 0.00 3.00 0.00 0.00 3.65 0.00 0.00 0.00 0.00 1.46 1.50 7.81 49 Y 9.16 3.72 0.00 3.11 2.21 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 50 Y 7.31 3.95 0.00 2.70 2.33 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 51 S 7.07 4.65 0.00 3.67 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 52 G 8.47 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 53 D 8.67 4.60 0.00 2.74 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 54 P 0.00 4.98 0.00 2.32 2.58 0.00 3.87 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 55 V 7.68 4.61 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 0.71 0.00 0.00 1.09 0.00 0.00 56 V 9.50 3.72 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 1.07 0.00 0.00 1.46 0.00 0.00 57 Q 8.81 4.17 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 58 G 8.48 4.04 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 0.00 0.00 0.00 59 V 7.35 4.46 2.17 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 1.03 0.00 0.00 0.99 0.00 0.00 60 N 9.43 4.19 0.00 3.04 3.24 0.00 0.00 7.04 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 61 G 8.15 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 0.00 0.00 0.00 62 F 7.50 5.02 0.00 3.24 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.83 5.54 0.00 1.95 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 2.20 2.38 0.00 64 A 8.41 5.41 0.58 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 65 E 8.65 5.16 0.00 2.08 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 66 F 10.02 5.01 0.00 2.63 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 67 S 8.50 4.26 0.00 3.72 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 68 K 7.62 3.47 0.00 1.45 1.71 0.00 1.72 0.00 0.00 0.79 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.57 7.81 69 S 7.22 3.95 0.00 3.82 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 N 7.94 4.42 0.00 2.66 2.81 0.00 0.00 7.09 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 71 S 7.98 3.34 0.00 3.36 3.83 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 72 S 7.00 4.66 0.00 3.69 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 73 F 9.44 6.30 0.00 2.99 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 74 H 8.19 4.83 0.00 3.14 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 9.04 4.80 0.00 0.27 0.22 0.36 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.68 5.66 0.00 1.81 1.84 0.00 2.99 0.00 0.00 3.13 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.33 0.00 77 K 8.27 4.09 0.00 1.14 1.28 0.00 0.61 0.00 0.00 1.32 0.00 0.00 2.53 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.98 1.02 7.81 78 A 8.13 4.05 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 79 S 7.50 5.29 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 80 V 9.01 4.27 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 0.89 0.00 0.00 0.92 0.00 0.00 81 H 8.32 4.61 0.00 3.23 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.53 4.14 0.00 1.93 1.97 0.00 3.24 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 83 S 8.00 4.70 0.00 4.03 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 84 D 7.83 5.27 0.00 2.88 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 85 S 8.33 5.09 0.00 3.84 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 7.99 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.77 4.38 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 0.58 0.00 0.00 0.87 0.00 0.00 88 Y 8.97 4.92 0.00 2.88 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 89 F 9.67 5.41 0.00 2.81 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 90 C 8.81 4.65 0.00 1.23 2.42 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 91 A 8.57 4.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.09 4.99 2.03 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 0.65 0.00 0.00 0.91 0.00 0.00 93 S 8.63 4.38 0.00 3.99 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 94 G 8.35 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 95 F 8.07 4.36 0.00 3.09 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 96 A 7.42 4.61 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 97 S 7.57 3.66 0.00 4.04 3.93 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 0.00 0.00 0.00 98 A 7.40 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.81 4.16 0.00 0.49 0.14 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.09 4.11 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 1.13 0.00 0.00 101 F 8.20 4.88 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 0.00 102 G 9.25 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 0.00 103 S 8.93 4.34 0.00 3.94 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 0.00 104 G 8.90 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.88 4.91 4.35 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 1.31 0.00 0.00 106 K 8.82 4.52 0.00 1.82 1.67 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.37 7.81 107 V 8.66 5.43 2.42 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 0.96 0.00 0.00 0.98 0.00 0.00 108 I 8.34 4.43 1.89 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 1.25 1.26 0.93 0.00 0.00 109 V 7.78 4.91 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 0.72 0.00 0.00 1.05 0.00 0.00 110 L 8.48 4.32 0.00 1.61 1.55 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00