NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4964 8.1933 115.5593 58.4865 64.3821 171.9607 1 M 4.9637 8.4043 122.9839 53.1495 34.8915 173.5851 2 K 4.8526 9.6233 121.4328 54.5213 37.4490 174.5780 3 K 4.7947 8.9998 124.5031 55.1567 34.2024 175.0370 4 I 4.8172 9.2823 129.7173 59.8562 39.2003 174.3959 5 E 5.3131 9.3044 127.1733 54.5646 32.5598 175.1791 6 A 4.6805 8.7221 123.7851 50.2511 23.2851 174.9842 7 I 4.8390 8.3117 123.0650 59.7189 39.1100 175.0028 8 I 4.9354 8.6012 120.9051 58.2948 41.3878 175.1199 9 R 4.1581 8.0935 121.5341 57.2344 30.3495 178.3989 10 S 4.0914 8.9439 119.7571 61.4581 63.1275 175.4422 11 D 4.6725 8.0428 116.8620 54.0846 39.4307 177.1211 12 K 4.4058 7.9957 119.3612 56.3243 32.5459 177.6200 13 L 3.9086 7.5275 122.6569 58.2027 41.9843 178.4293 14 E 3.9181 8.0962 118.5827 59.4552 29.6586 178.3633 15 D 4.3059 8.0040 118.4376 57.0863 40.9692 178.1662 16 L 3.8547 8.2915 121.2692 58.0847 42.1565 178.6446 17 K 3.8068 8.3601 119.5947 59.7900 32.0596 178.3854 18 A 4.0051 8.7185 120.8160 55.1077 18.2089 179.5206 19 A 3.9623 8.0355 119.2963 55.3565 18.5959 179.9447 20 L 4.0203 8.0935 117.5425 57.5704 41.6911 179.7672 21 V 3.5806 7.9155 118.4179 66.2041 31.2670 177.8956 22 Q 3.9945 7.7953 116.1863 59.2987 28.7112 178.7757 23 S 4.3678 8.4486 113.0687 59.5759 62.4530 175.2184 24 G 3.8410 8.0186 107.7980 45.2922 0.0000 173.6145 25 F 4.5885 7.9705 117.8009 57.8829 40.3987 177.9765 26 I 3.6713 7.7803 121.3227 63.9792 38.0096 177.3540 27 K 4.0251 8.0548 120.2172 58.9352 32.3048 177.6975 28 G 3.7826 8.7459 107.5533 47.0600 0.0000 172.3797 29 M 4.6936 7.8418 120.7505 54.8266 33.5245 175.3411 30 T 4.8533 8.9320 122.6985 61.6509 71.6170 173.1951 31 I 5.2837 8.3872 118.5711 59.2820 40.8453 174.2894 32 S 4.7871 9.0105 117.6212 57.2564 67.2848 172.1143 33 Q 5.1272 8.5931 118.1377 54.2879 30.8984 175.8324 34 V 4.5942 8.8111 115.8784 59.5648 36.5492 174.3336 35 L 4.7206 8.4592 122.1803 54.0047 43.1289 176.3291 36 G 4.2524 8.4695 109.9294 44.6566 0.0000 170.9684 37 F 5.4196 8.7089 116.6254 56.1768 43.3463 174.7328 38 G 4.4931 8.9509 110.1543 44.5889 0.0000 170.8144 39 N 4.9079 8.6583 117.9763 51.6411 40.2593 174.4132 *53 T 4.0512 8.3696 119.9710 62.5387 69.2995 172.5533 54 P 4.6071 0.0000 0.0000 62.3323 32.6531 175.6882 55 T 4.2863 8.3436 116.0788 63.3334 69.6603 174.0034 56 L 4.5049 8.5541 126.5323 53.8571 42.7376 175.9768 57 L 4.7584 8.9271 124.1704 52.7131 44.9190 175.3736 58 A 4.7658 8.5067 124.7098 50.4953 20.3319 176.1473 59 K 4.6415 9.0901 121.6600 54.7823 36.7349 175.2009 60 V 4.6898 8.3599 120.9205 61.1334 33.9429 174.0056 61 K 4.9499 9.0859 129.6152 54.7656 34.4833 174.7622 62 V 4.7941 8.8548 127.4365 61.1123 34.2804 173.8758 63 E 5.1734 9.0280 126.8338 54.5748 32.7285 174.7310 64 I 5.1285 8.6933 124.2058 58.0161 41.7048 173.7447 65 V 4.8987 8.5352 128.5086 61.3639 32.9334 174.4994 66 A 4.8865 9.2890 128.5705 50.0729 23.2549 175.0800 67 H 4.5318 8.8666 116.1241 55.9977 29.5929 176.2841 68 D 4.3376 9.1267 122.3767 57.8429 40.6620 179.0825 69 A 4.0415 8.0431 119.5326 54.5963 18.8109 178.3886 70 A 4.3339 8.1231 117.5190 52.7667 19.0409 179.5385 71 V 3.4667 7.5019 117.7145 65.9327 31.7684 177.8631 72 E 3.9231 8.0624 117.8143 59.4191 29.3166 178.7914 73 E 3.9181 8.0868 118.8722 59.3271 29.6386 178.3980 74 M 3.7804 7.9869 118.2553 58.5869 32.2151 178.1720 75 I 3.6270 7.7838 119.9782 64.6384 37.1635 178.4411 76 T 3.8071 7.7313 116.1046 67.0657 68.4312 176.5081 77 T 3.8412 7.9993 117.6012 66.9098 68.3601 176.6688 78 I 3.6626 8.0126 121.6537 64.3982 37.1486 178.6149 79 S 4.0721 8.2186 116.1525 61.7919 62.4871 176.0276 80 Q 3.8564 8.0082 120.4804 59.8272 28.7744 178.6306 81 A 4.0913 7.8347 120.2173 54.3658 18.5300 178.7280 82 V 4.1066 7.1494 114.7844 62.2209 32.9520 176.3347 83 K 4.4985 7.3498 117.7767 57.3507 33.2830 176.3816 84 T 4.4025 9.9824 109.9858 62.7430 71.1655 173.4661 85 G 4.3484 8.9626 109.1106 43.1109 0.0000 170.3565 86 E 5.0274 8.9241 126.5138 56.6881 28.1819 177.3184 *88 G 3.8788 7.2647 106.4935 45.5812 0.0000 171.7459 89 D 4.3133 8.4356 117.4549 56.0967 41.1327 175.7355 90 G 4.3257 7.1053 103.4238 42.9132 0.0000 172.3673 91 K 4.6669 8.3992 118.5255 54.9839 36.3306 175.3273 92 I 4.5771 8.1024 121.6547 59.4514 40.1695 174.7240 93 F 5.1055 8.8584 125.3565 55.6725 42.0760 174.3478 94 V 4.9645 8.5542 122.7838 61.3248 33.1216 174.8092 95 S 4.9805 9.1154 121.8528 55.7162 66.7768 171.5750 96 P 4.8111 0.0000 0.0000 62.7115 32.4184 175.4818 97 V 4.3500 7.8300 121.0975 61.3940 33.1905 175.3401 98 D 4.5186 9.0711 128.3470 57.0853 41.0603 176.1784 99 E 4.6963 7.5219 112.6474 55.3137 31.8414 173.9264 100 I 4.3898 8.2378 119.9142 59.0552 40.2109 174.6678 101 V 4.2992 8.3496 127.0388 61.0237 33.0885 174.6235 102 R 4.3986 8.4869 126.5099 55.0350 31.0543 175.8229 103 I 4.2421 8.1918 124.0754 60.3091 38.3580 175.8279 104 R 4.1552 8.2839 124.0751 56.6586 30.1163 174.3111 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 0 S 8.19 4.50 0.00 3.94 3.81 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 1 M 8.40 4.96 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.66 0.00 2 K 9.62 4.85 0.00 1.58 1.74 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.50 7.81 3 K 9.00 4.79 0.00 1.82 1.69 0.00 1.62 0.00 0.00 1.88 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.43 7.81 4 I 9.28 4.82 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.58 0.84 0.00 0.00 5 E 9.30 5.31 0.00 2.20 1.94 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 2.31 2.35 0.00 6 A 8.72 4.68 1.05 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 0.00 0.00 7 I 8.31 4.84 1.85 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 1.30 1.26 0.92 0.00 0.00 8 I 8.60 4.94 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.86 0.84 0.00 0.00 9 R 8.09 4.16 0.00 1.74 2.10 0.00 3.11 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 10 S 8.94 4.09 0.00 3.86 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 11 D 8.04 4.67 0.00 2.77 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 12 K 8.00 4.41 0.00 1.95 1.83 0.00 1.84 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.71 7.81 13 L 7.53 3.91 0.00 1.69 1.66 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.10 3.92 0.00 2.11 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 0.00 2.37 2.46 0.00 15 D 8.00 4.31 0.00 2.93 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 16 L 8.29 3.85 0.00 1.69 1.77 0.89 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.36 3.81 0.00 1.89 1.97 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 18 A 8.72 4.01 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 19 A 8.04 3.96 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 20 L 8.09 4.02 0.00 1.89 1.90 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.92 3.58 2.24 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 1.04 0.00 0.00 0.97 0.00 0.00 22 Q 7.80 3.99 0.00 2.40 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 23 S 8.45 4.37 0.00 4.18 4.30 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 24 G 8.02 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 25 F 7.97 4.59 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 26 I 7.78 3.67 1.91 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 1.20 1.23 0.93 0.00 0.00 27 K 8.05 4.03 0.00 1.76 1.83 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 28 G 8.75 3.78 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 0.00 0.00 0.00 29 M 7.84 4.69 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 30 T 8.93 4.85 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 31 I 8.39 5.28 1.94 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.54 0.91 0.00 0.00 32 S 9.01 4.79 0.00 3.85 3.96 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 33 Q 8.59 5.13 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 34 V 8.81 4.59 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 0.75 0.00 0.00 0.93 0.00 0.00 35 L 8.46 4.72 0.00 1.39 1.27 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.47 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 0.00 0.00 0.00 0.00 37 F 8.71 5.42 0.00 2.91 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 38 G 8.95 4.49 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 0.00 0.00 0.00 39 N 8.66 4.91 0.00 2.70 2.75 0.00 0.00 6.76 7.54 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 *53 T 8.37 4.05 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 1.24 0.00 0.00 54 P 0.00 4.61 0.00 2.34 2.05 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.87 0.00 55 T 8.34 4.29 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 1.24 0.00 0.00 56 L 8.55 4.50 0.00 1.53 1.56 0.91 0.73 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 57 L 8.93 4.76 0.00 1.40 1.47 0.97 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.51 4.77 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 59 K 9.09 4.64 0.00 1.70 1.67 0.00 1.77 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.46 7.81 60 V 8.36 4.69 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 1.00 0.00 0.00 0.92 0.00 0.00 61 K 9.09 4.95 0.00 1.85 1.64 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.40 7.81 62 V 8.85 4.79 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 0.89 0.00 0.00 0.90 0.00 0.00 63 E 9.03 5.17 0.00 1.94 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 2.24 2.24 0.00 64 I 8.69 5.13 1.88 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 1.05 2.40 0.86 0.00 0.00 65 V 8.54 4.90 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 0.86 0.00 0.00 0.94 0.00 0.00 66 A 9.29 4.89 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 67 H 8.87 4.53 0.00 3.31 3.29 0.00 5.84 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 68 D 9.13 4.34 0.00 2.95 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 69 A 8.04 4.04 1.33 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 0.00 0.00 70 A 8.12 4.33 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.50 3.47 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 1.00 0.00 0.00 0.99 0.00 0.00 72 E 8.06 3.92 0.00 2.01 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 2.39 2.30 0.00 73 E 8.09 3.92 0.00 1.99 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 2.38 2.34 0.00 74 M 7.99 3.78 0.00 2.14 1.82 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 75 I 7.78 3.63 1.95 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 1.47 0.59 0.87 0.00 0.00 76 T 7.73 3.81 4.41 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 1.20 0.00 0.00 77 T 8.00 3.84 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 1.20 0.00 0.00 78 I 8.01 3.66 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.89 0.84 0.00 0.00 79 S 8.22 4.07 0.00 4.04 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 80 Q 8.01 3.86 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 81 A 7.83 4.09 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 82 V 7.15 4.11 2.16 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 0.90 0.00 0.00 0.94 0.00 0.00 83 K 7.35 4.50 0.00 1.91 1.85 0.00 1.59 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.72 1.36 7.81 84 T 9.98 4.40 4.23 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 1.20 0.00 0.00 85 G 8.96 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 0.00 0.00 0.00 0.00 86 E 8.92 5.03 0.00 2.04 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 0.00 2.08 2.04 0.00 *88 G 7.26 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 89 D 8.44 4.31 0.00 2.70 2.70 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 90 G 7.11 4.33 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 0.00 0.00 0.00 91 K 8.40 4.67 0.00 1.75 1.84 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.19 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.26 1.05 7.81 92 I 8.10 4.58 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.52 0.83 0.00 0.00 93 F 8.86 5.11 0.00 2.94 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 94 V 8.55 4.96 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 0.83 0.00 0.00 0.94 0.00 0.00 95 S 9.12 4.98 0.00 3.87 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 96 P 0.00 4.81 0.00 2.10 2.09 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 97 V 7.83 4.35 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 0.83 0.00 0.00 0.94 0.00 0.00 98 D 9.07 4.52 0.00 2.71 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 99 E 7.52 4.70 0.00 2.02 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 2.16 2.26 0.00 100 I 8.24 4.39 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.90 0.00 0.00 101 V 8.35 4.30 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 0.90 0.00 0.00 0.93 0.00 0.00 102 R 8.49 4.40 0.00 1.84 1.85 0.00 3.26 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 1.59 1.64 0.00 103 I 8.19 4.24 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.50 0.91 0.00 0.00 104 R 8.28 4.16 0.00 1.70 1.71 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.