NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4882 8.3344 115.4129 58.0429 63.6478 173.4089 2 K 4.4338 7.6305 120.0919 56.1712 33.4699 173.5115 3 Q 4.5186 7.5904 114.5664 53.5963 33.4262 171.8632 4 P 4.6490 0.0000 0.0000 65.1277 29.8854 173.7507 5 D 4.5427 8.4098 130.5137 54.8586 39.1183 177.8680 6 K 4.3590 7.7371 118.3884 57.2861 30.6157 178.5354 7 Q 4.0017 7.8913 120.0046 58.5342 28.6544 177.6491 8 R 4.1734 7.7650 116.8981 57.7119 30.1774 178.3101 9 K 4.0215 7.9307 118.2129 56.9821 32.3959 177.7019 10 S 4.8275 7.3723 110.9506 57.8419 63.5882 173.7704 11 Q 4.7810 8.0772 118.6188 56.7960 30.1205 176.4630 12 R 4.5238 7.7902 111.0748 56.9926 31.4859 177.3040 13 R 4.0450 7.5710 116.7053 58.6546 30.6850 176.9925 14 A 4.3642 7.0112 119.5558 50.7202 20.1407 174.2988 15 P 4.2134 0.0000 0.0000 63.4579 31.7877 177.0311 16 L 4.1199 8.8697 123.6606 58.2651 42.0336 179.1358 17 H 3.7477 8.6550 115.3312 59.0285 28.5336 176.9977 18 E 4.0307 8.6388 120.7521 59.8946 28.9342 179.7902 19 R 3.9766 9.1119 119.0177 58.9343 30.0487 178.1349 20 H 4.1626 8.4315 118.2228 59.8183 29.4916 177.2170 21 K 4.0930 8.0418 119.0698 59.9889 32.4888 177.9865 22 Q 4.1709 9.1437 120.1505 58.1494 28.7945 177.9093 23 V 3.6960 7.8606 117.8544 64.2213 31.7882 176.2304 24 R 4.0184 7.6300 117.5373 56.7626 30.7816 177.0659 25 A 4.4865 7.3134 118.9371 53.2535 24.4418 175.6801 26 T 4.7024 7.6260 109.1551 60.1169 69.8655 173.7388 27 L 4.7439 8.2808 119.8223 55.8432 42.3753 173.0639 28 S 4.7848 8.2819 110.6087 57.5899 62.0943 173.4983 29 A 4.3452 8.4003 121.4599 54.0625 20.0882 180.6994 30 D 4.4011 7.4051 106.2115 54.2438 42.1572 181.5949 31 L 4.3679 7.8273 112.7017 55.7605 43.8557 179.0553 32 R 3.8297 7.9373 111.0587 56.9079 30.9937 180.9905 33 E 3.3200 8.7118 111.1193 58.5142 32.2008 177.9851 34 E 3.7571 7.0027 121.4211 56.4770 30.8339 177.3645 35 Y 5.1132 8.6480 116.4144 56.0190 39.2858 175.7142 36 G 4.9281 8.8764 119.7074 46.5686 0.0000 171.8931 *40 V 3.5549 7.4743 119.0578 63.9537 32.1748 172.7799 41 R 3.8127 8.6843 128.3507 56.6743 26.8142 175.3205 42 V 4.0761 7.6890 126.5485 62.5767 33.4429 173.8760 43 N 4.9497 8.8128 110.1757 53.4449 45.7800 174.8562 44 A 3.9134 8.5980 122.9641 51.8615 15.3821 179.5851 45 G 3.8959 8.5178 106.9192 44.1235 0.0000 173.6369 46 D 6.3000 7.7447 120.6605 53.2375 43.8405 173.8666 47 T 4.7999 12.0000 111.7404 60.3758 70.5866 174.0744 48 V 4.1401 7.4182 124.3898 63.1945 39.8151 172.5905 49 E 5.2090 9.2112 111.8537 56.1523 32.7440 175.9288 50 V 3.5748 7.0531 123.1875 60.6764 35.6673 176.4270 51 L 4.4351 8.1752 120.5357 56.4080 41.3269 173.8053 52 R 4.3270 8.1893 116.2128 56.8238 33.7323 170.4770 53 G 3.7107 7.7445 116.5164 47.1387 0.0000 176.9100 54 D 3.8679 7.9257 123.0396 56.7250 41.9172 177.2162 55 F 4.3213 8.0647 116.0180 59.0703 39.2198 175.3426 56 A 4.0043 12.0000 122.9701 51.9476 19.5895 177.3609 57 G 3.9866 8.5836 107.2607 46.5434 0.0000 171.3741 58 E 4.9884 7.9060 120.0947 52.7813 33.7501 173.5383 59 E 4.8274 8.0373 119.1055 54.4598 31.7657 175.8654 60 G 4.0999 7.9624 107.4045 46.6495 0.0000 171.6333 61 E 5.1953 8.0928 117.5157 54.1566 34.7745 174.9392 62 V 3.7118 9.3450 123.1746 63.1467 31.2628 175.6300 63 I 4.1914 8.5512 129.4163 63.2449 37.8020 176.5909 64 N 4.7582 7.7775 120.0247 51.5648 42.5866 174.1953 65 V 3.8820 8.6503 124.3474 63.6265 30.2791 174.9572 66 D 4.5824 9.0321 123.7447 55.4344 41.4060 181.3055 67 L 3.3652 7.6108 119.3105 58.0268 42.0786 177.7091 68 D 3.8400 7.0574 109.3897 57.0623 42.2937 177.1999 69 K 3.8193 7.4605 124.4830 58.2335 32.8436 177.8207 70 A 3.9844 10.6000 121.9015 51.2798 17.9477 177.3154 71 V 4.3577 6.9133 114.6200 62.9889 35.3048 170.4158 72 I 5.8829 7.9988 119.7509 59.3760 41.7680 174.0322 73 H 5.0863 8.3902 117.7407 54.6358 32.6307 173.4913 74 V 5.1956 8.0721 120.4486 61.0469 30.7078 177.9770 75 E 3.1240 8.0841 117.6781 56.1528 33.8337 179.0069 76 D 3.6889 7.9408 115.0339 56.4314 41.5456 177.5694 77 V 2.7436 8.5343 116.1050 62.6889 32.4565 174.7057 78 T 4.2847 6.7638 116.5328 63.8690 72.4535 171.3024 79 L 4.4354 9.1324 121.0949 55.5071 46.3736 174.1505 80 E 4.9253 8.7225 121.4438 54.0895 31.3597 178.7991 81 K 4.4521 8.6464 125.0523 56.7329 31.9406 177.7408 82 T 4.5313 8.3662 109.5529 64.3927 71.1095 174.8827 83 D 4.5328 8.4067 120.2975 55.9589 42.5350 175.7534 84 G 3.8818 9.6581 108.7932 44.8699 0.0000 174.9600 85 E 3.3714 8.0655 120.0743 53.7008 32.3213 175.0062 86 E 4.7553 8.2303 123.6976 55.8854 31.2210 175.3815 87 V 4.3286 7.7651 117.1586 61.8794 35.7972 169.3268 88 P 4.6185 0.0000 0.0000 62.7837 31.9127 176.5191 89 R 4.4559 7.8344 123.4093 54.5282 31.4985 174.2334 90 P 4.5234 0.0000 0.0000 63.0315 32.6625 176.4790 91 L 4.3442 8.5467 123.5456 52.9563 42.4845 174.5281 92 D 4.3990 9.2190 124.5853 55.5013 39.0526 178.4416 93 T 3.6527 8.1893 111.9574 64.1327 73.3321 175.4223 94 S 3.4141 9.5040 107.2762 56.9089 62.5542 176.4990 95 N 4.6010 9.3358 120.1830 53.7239 38.0026 174.0913 96 V 4.5047 8.0398 121.9806 60.9897 34.9068 174.3312 97 R 4.7838 8.6345 125.4656 54.3951 34.1762 174.4923 98 V 5.2904 8.0780 122.1822 61.1635 34.6249 174.8273 99 T 4.3245 8.5691 121.9718 64.4140 71.5876 174.2406 100 D 5.0122 8.0469 121.9298 53.2611 38.9630 175.9760 101 L 5.1035 8.1152 123.5134 55.0040 39.7675 174.2995 102 D 4.3510 7.2960 119.5144 53.6287 39.2607 177.7183 103 L 4.5013 8.1729 121.5637 55.6659 45.8974 176.3311 104 E 3.9510 8.3559 120.3466 59.2439 29.4582 176.7793 105 D 4.5924 8.2687 118.7185 54.0023 40.2990 177.2147 106 E 3.8579 8.4539 125.4436 59.3150 29.8873 180.2484 107 K 4.1114 7.8798 116.6996 58.6406 32.5966 178.3928 108 R 4.1813 10.6400 118.5003 58.6781 30.1706 177.7518 109 E 4.1391 8.1344 115.5116 57.0312 29.9783 176.1124 110 A 4.6587 7.4578 120.3435 52.4642 19.2849 177.1764 111 R 4.4702 7.9255 117.1403 58.1797 33.3077 175.7910 112 L 5.1166 7.2876 113.1646 55.7850 42.5190 175.8757 113 E 5.1081 7.8248 122.7026 57.4750 29.4035 174.3509 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 S 8.33 4.49 0.00 3.99 3.99 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 2 K 7.63 4.43 0.00 1.76 1.74 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.47 7.81 3 Q 7.59 4.52 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 4 P 0.00 4.65 0.00 2.18 2.10 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 5 D 8.41 4.54 0.00 2.87 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 6 K 7.74 4.36 0.00 1.83 1.81 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.58 7.81 7 Q 7.89 4.00 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 8 R 7.77 4.17 0.00 1.88 1.97 0.00 3.23 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 9 K 7.93 4.02 0.00 1.87 1.84 0.00 1.49 0.00 0.00 2.18 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.54 7.81 10 S 7.37 4.83 0.00 3.75 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 11 Q 8.08 4.78 0.00 1.97 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 12 R 7.79 4.52 0.00 1.93 2.01 0.00 3.09 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 1.59 1.61 0.00 13 R 7.57 4.05 0.00 1.95 2.03 0.00 3.16 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 14 A 7.01 4.36 1.44 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 15 P 0.00 4.21 0.00 2.20 2.03 0.00 3.92 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 2.13 0.00 16 L 8.87 4.12 0.00 1.80 1.74 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.66 3.75 0.00 3.22 3.43 0.00 5.84 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 18 E 8.64 4.03 0.00 2.40 2.05 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 2.35 2.46 0.00 19 R 9.11 3.98 0.00 1.99 1.98 0.00 3.16 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 20 H 8.43 4.16 0.00 3.07 3.69 0.00 5.73 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.04 4.09 0.00 1.89 1.83 0.00 1.49 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.23 7.81 22 Q 9.14 4.17 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 23 V 7.86 3.70 2.23 0.00 0.00 0.00 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 0.96 0.00 0.00 24 R 7.63 4.02 0.00 1.92 1.86 0.00 3.51 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 25 A 7.31 4.49 1.31 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 26 T 7.63 4.70 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 1.23 0.00 0.00 27 L 8.28 4.74 0.00 0.97 1.08 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.28 4.78 0.00 4.00 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 29 A 8.40 4.35 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.41 4.40 0.00 2.76 1.78 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 31 L 7.83 4.37 0.00 1.70 1.72 1.15 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.94 3.83 0.00 1.86 1.13 0.00 3.39 0.00 0.00 3.36 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 33 E 8.71 3.32 0.00 2.15 2.36 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 2.19 2.21 0.00 34 E 7.00 3.76 0.00 1.16 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.10 0.00 35 Y 8.65 5.11 0.00 3.26 2.74 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 36 G 8.88 4.93 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 0.00 0.00 0.00 *40 V 7.47 3.55 2.02 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 0.77 0.00 0.00 0.93 0.00 0.00 41 R 8.68 3.81 0.00 1.59 1.41 0.00 3.20 0.00 0.00 3.12 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.22 0.00 42 V 7.69 4.08 2.15 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 0.86 0.00 0.00 0.97 0.00 0.00 43 N 8.81 4.95 0.00 2.72 2.78 0.00 0.00 6.97 7.35 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 44 A 8.60 3.91 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 45 G 8.52 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 46 D 7.74 6.30 0.00 2.67 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 47 T 12.00 4.80 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 1.26 0.00 0.00 48 V 7.42 4.14 1.47 0.00 0.00 0.00 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 0.81 0.00 0.00 49 E 9.21 5.21 0.00 2.00 1.66 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 1.56 1.83 0.00 50 V 7.05 3.57 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 1.00 0.00 0.00 0.95 0.00 0.00 51 L 8.18 4.44 0.00 1.74 1.66 0.91 0.55 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 52 R 8.19 4.33 0.00 1.87 1.84 0.00 3.79 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 53 G 7.74 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 0.00 0.00 0.00 54 D 7.93 3.87 0.00 2.26 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 55 F 8.06 4.32 0.00 3.13 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 56 A 12.00 4.00 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 57 G 8.58 3.99 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 0.00 0.00 0.00 58 E 7.91 4.99 0.00 2.29 1.72 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 2.47 2.28 0.00 59 E 8.04 4.83 0.00 2.07 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 2.17 2.26 0.00 60 G 7.96 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 61 E 8.09 5.20 0.00 2.05 1.78 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 2.28 2.19 0.00 62 V 9.34 3.71 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 0.91 0.00 0.00 63 I 8.55 4.19 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.88 0.96 0.00 0.00 64 N 7.78 4.76 0.00 2.72 2.63 0.00 0.00 6.68 7.68 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 65 V 8.65 3.88 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 0.92 0.00 0.00 66 D 9.03 4.58 0.00 3.31 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 67 L 7.61 3.37 0.00 1.74 1.84 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.06 3.84 0.00 2.68 2.44 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 69 K 7.46 3.82 0.00 1.80 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.39 7.81 70 A 10.60 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.91 4.36 1.99 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 -0.06 0.00 0.00 1.00 0.00 0.00 72 I 8.00 5.88 1.88 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 1.44 1.02 1.09 0.00 0.00 73 H 8.39 5.09 0.00 2.87 3.13 0.00 5.75 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 74 V 8.07 5.20 1.99 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 0.72 0.00 0.00 0.90 0.00 0.00 75 E 8.08 3.12 0.00 2.14 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 0.00 2.22 2.26 0.00 76 D 7.94 3.69 0.00 2.66 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 77 V 8.53 2.74 1.82 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 0.48 0.00 0.00 0.83 0.00 0.00 78 T 6.76 4.28 4.53 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 1.29 0.00 0.00 79 L 9.13 4.44 0.00 1.88 1.55 0.98 1.12 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 80 E 8.72 4.93 0.00 1.90 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 0.00 2.24 2.30 0.00 81 K 8.65 4.45 0.00 1.71 1.61 0.00 2.03 0.00 0.00 1.53 0.00 0.00 3.22 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.42 7.81 82 T 8.37 4.53 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 83 D 8.41 4.53 0.00 2.65 2.74 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 84 G 9.66 3.88 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 0.00 0.00 0.00 85 E 8.07 3.37 0.00 2.07 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 2.35 2.37 0.00 86 E 8.23 4.76 0.00 2.00 1.90 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 2.47 2.29 0.00 87 V 7.77 4.33 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 0.89 0.00 0.00 0.94 0.00 0.00 88 P 0.00 4.62 0.00 2.34 2.08 0.00 3.83 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 2.04 2.02 0.00 89 R 7.83 4.46 0.00 1.73 1.92 0.00 2.52 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.45 0.00 90 P 0.00 4.52 0.00 2.10 2.10 0.00 3.75 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 2.01 2.03 0.00 91 L 8.55 4.34 0.00 1.60 1.45 0.99 0.50 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 92 D 9.22 4.40 0.00 2.71 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 93 T 8.19 3.65 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 1.20 0.00 0.00 94 S 9.50 3.41 0.00 3.80 3.65 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 95 N 9.34 4.60 0.00 2.65 2.82 0.00 0.00 6.48 7.68 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 96 V 8.04 4.50 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 0.82 0.00 0.00 0.96 0.00 0.00 97 R 8.63 4.78 0.00 1.84 1.76 0.00 2.21 0.00 0.00 2.44 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 98 V 8.08 5.29 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 1.27 0.00 0.00 0.98 0.00 0.00 99 T 8.57 4.32 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 1.21 0.00 0.00 100 D 8.05 5.01 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 0.00 101 L 8.12 5.10 0.00 1.59 1.93 1.12 1.41 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 0.00 102 D 7.30 4.35 0.00 2.78 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 4.50 0.00 1.56 1.70 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.36 3.95 0.00 1.94 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 0.00 2.32 2.41 0.00 105 D 8.27 4.59 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 0.00 106 E 8.45 3.86 0.00 2.03 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 2.40 2.39 0.00 107 K 7.88 4.11 0.00 1.74 1.86 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 108 R 10.64 4.18 0.00 1.93 2.11 0.00 3.12 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.56 0.00 109 E 8.13 4.14 0.00 2.04 1.96 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 2.27 2.48 0.00 110 A 7.46 4.66 1.31 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 0.00 111 R 7.93 4.47 0.00 1.69 1.84 0.00 3.33 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 112 L 7.29 5.12 0.00 2.17 1.70 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.82 5.11 0.00 2.07 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 2.35 2.81 0.00 * Residues marked with a * may have inaccurate shift predictions.