NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3316 8.3349 115.2902 58.2444 63.4562 173.0237 3 D 4.6705 8.2219 125.6080 51.8662 43.0154 174.4473 4 K 4.3317 8.1841 120.0291 56.7110 34.7007 176.7979 5 T 4.4589 8.0782 119.8280 62.1867 67.8269 177.9093 *7 K 4.2902 8.6440 117.7590 54.4865 34.0211 176.0482 8 D 4.4254 8.2956 119.6826 57.1993 40.6099 178.9455 9 I 3.6694 7.8610 120.4259 64.4412 37.1171 178.5013 10 Q 3.9506 8.0420 118.1739 58.8381 28.6176 178.5133 11 A 4.0027 8.2605 122.0126 55.0869 18.3640 179.0999 12 E 3.8996 8.8474 118.5509 59.4894 29.6154 179.2578 13 V 3.7017 7.8347 118.0461 66.2334 31.5687 177.3639 14 D 4.5456 8.1534 119.0251 56.9980 40.7794 178.5577 15 R 3.9203 8.0569 117.6187 58.9494 30.2870 178.2810 16 Y 4.1283 7.7801 119.3158 60.9036 39.0887 177.9038 17 I 3.1382 8.1965 121.1901 63.7882 36.8887 178.2313 18 G 3.7182 8.0022 105.4005 46.0899 0.0000 174.4065 19 Q 4.4613 7.4016 118.3450 55.1606 29.7899 174.9597 20 F 4.8140 7.6296 122.4685 56.2608 41.2623 177.5414 21 K 4.1322 8.7111 126.8664 57.4785 31.9340 176.0346 22 E 4.1076 8.3091 116.7570 57.8543 30.1196 178.4313 23 G 3.5885 7.4190 106.0639 45.6278 0.0000 172.2600 24 Y 4.3274 7.9702 119.9555 57.4355 39.0194 174.5540 25 F 4.9781 8.3096 120.4485 56.2692 40.6217 175.9539 26 S 4.5944 8.4275 116.3140 57.1395 63.9956 172.5231 27 P 4.4194 0.0000 0.0000 65.9555 31.1313 178.2633 28 L 4.0645 7.8946 115.7884 57.4505 42.0516 177.8456 29 A 4.0543 7.5925 122.9924 51.0738 16.4278 177.0557 *32 A 4.2719 7.9765 124.4156 51.7163 21.1688 179.5811 33 R 3.8908 8.0343 115.6621 59.4284 30.0686 178.6049 34 L 4.0287 7.8461 119.8184 58.3916 42.2389 178.6609 35 T 4.0804 7.8340 108.2124 63.5325 68.5730 175.8503 36 E 3.9352 7.7700 123.1855 59.6083 29.9031 178.3583 37 E 4.0267 7.9682 118.5122 58.8390 29.4109 179.2280 38 L 4.0499 8.0963 121.0240 58.1574 42.1577 179.0019 39 G 3.7863 7.8466 105.7623 48.0906 0.0000 175.4320 40 E 4.0058 7.9196 120.7131 59.0437 29.5075 179.0550 41 L 3.9451 7.9896 120.2252 58.1267 42.1330 178.9538 42 A 4.0158 8.5921 121.0250 55.0598 18.2231 179.5172 43 R 3.8047 8.2820 117.6602 59.4656 30.1502 178.2767 44 E 3.9254 8.3581 119.0666 59.6438 29.6665 179.3543 45 V 3.8941 7.9095 112.2483 64.3043 31.5742 178.0910 46 N 4.3598 8.3213 116.8494 56.3612 38.4677 176.7946 47 H 4.2273 7.6146 116.9923 58.5905 29.1338 177.3535 48 R 3.8073 8.1206 119.3198 58.9163 30.0504 176.6703 49 Y 4.7769 7.7888 111.9656 57.5164 39.8803 176.6983 50 G 4.1542 7.7571 111.6328 45.4888 0.0000 174.2900 51 E 4.5054 8.6505 122.7922 56.0261 30.3068 176.1070 52 K 4.3094 7.6752 119.1084 54.6012 33.0116 175.0227 53 P 4.3052 0.0000 0.0000 63.0540 31.7072 177.6119 54 K 4.0689 8.5099 124.1488 54.2445 32.1655 175.4822 55 K 4.0514 8.4452 122.7934 55.8533 32.7426 176.9218 56 A 4.1560 8.5466 126.0013 55.4996 19.1660 179.6143 57 T 3.8195 7.9499 109.1155 61.7094 68.7512 176.2072 58 E 4.2522 8.5070 121.8058 54.2721 30.5525 173.7499 59 D 4.5147 8.5524 117.0085 56.1153 42.1328 175.4111 60 D 4.9249 8.3717 127.0096 53.1095 40.4942 176.4636 61 K 4.6071 8.4645 119.2862 56.4638 33.0878 178.2043 62 S 4.2318 8.0439 112.9361 59.2817 62.3719 176.3345 *64 E 4.2938 8.3159 122.1059 56.6203 31.4375 178.2483 65 E 3.9922 8.3418 118.1871 59.5178 29.2198 179.3072 66 E 4.0747 8.5971 118.6442 58.9713 29.4465 179.1186 67 I 4.1650 7.6568 119.4577 63.4619 37.6340 178.1368 68 G 3.7115 8.5343 106.8985 47.3978 0.0000 175.6652 69 D 4.4240 8.1239 121.5210 57.3036 40.8332 178.8468 70 V 3.6205 7.3625 118.8025 65.9211 31.4967 177.8020 71 L 3.9459 8.0805 120.1270 58.2492 41.8610 178.3189 72 F 4.0396 8.4229 120.7052 61.2578 39.2445 176.8735 73 V 3.5910 8.4700 117.7158 66.3121 31.3593 178.0372 74 L 3.8927 8.2295 119.9993 58.0643 41.8769 179.1666 75 V 3.4824 7.7663 118.3750 65.9482 31.4513 177.7674 76 C 3.8267 7.9101 116.9112 62.7683 26.8998 175.9999 77 L 3.8520 8.0969 121.6309 57.5465 41.4767 178.9556 78 A 3.9425 7.6054 120.9617 54.9398 18.4166 179.2118 79 N 4.1346 8.1962 115.6152 56.4866 38.4945 177.6969 80 S 3.4370 6.8304 113.0260 60.3807 62.8420 175.0126 81 L 4.6126 6.7646 116.7309 53.8931 41.9543 175.6858 82 D 4.3984 8.4518 116.8631 55.2991 39.0315 173.4885 83 I 4.2491 7.6343 118.4989 59.8012 38.8684 176.1808 84 S 4.4743 8.3412 119.1786 57.0699 63.1065 174.6953 85 L 3.9285 8.4213 130.3423 57.7620 41.4926 178.8326 86 E 3.9069 8.1800 118.7883 59.5152 29.3178 178.5057 87 E 4.0922 7.9752 117.6550 59.1702 29.7436 178.2948 88 A 4.0788 8.2189 121.1928 55.1200 18.0991 179.1293 89 H 4.1000 8.5164 117.4168 59.6134 29.7567 177.2829 90 D 4.3002 7.7246 118.9796 57.2808 40.7242 178.6261 91 R 3.9686 7.5006 118.6446 59.0407 30.4137 181.5850 92 V 3.3284 7.0651 114.0134 60.9375 30.8253 178.3446 *94 H 4.5969 8.3177 119.8302 56.0718 31.3171 174.3888 95 K 4.2040 8.0997 116.9811 59.1669 33.7011 177.7158 96 F 4.4117 8.3928 118.7014 59.5949 37.7584 177.2175 97 N 4.7097 9.3138 126.6778 53.5505 36.9515 176.8035 98 T 4.0167 7.6978 113.8595 62.0036 68.4320 175.8655 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 8.33 4.33 0.00 3.85 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 3 D 8.22 4.67 0.00 2.78 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 4 K 8.18 4.33 0.00 1.75 1.74 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.43 7.81 5 T 8.08 4.46 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 *7 K 8.64 4.29 0.00 1.73 1.90 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 8 D 8.30 4.43 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.86 3.67 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 1.53 0.73 0.92 0.00 0.00 10 Q 8.04 3.95 0.00 2.24 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 11 A 8.26 4.00 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 12 E 8.85 3.90 0.00 2.17 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 0.00 2.35 2.36 0.00 13 V 7.83 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 0.80 0.00 0.00 0.99 0.00 0.00 14 D 8.15 4.55 0.00 3.03 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 15 R 8.06 3.92 0.00 2.03 2.01 0.00 3.24 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 16 Y 7.78 4.13 0.00 3.07 3.26 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 0.00 17 I 8.20 3.14 1.38 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 1.76 1.20 0.04 0.00 0.00 18 G 8.00 3.72 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 0.00 0.00 0.00 19 Q 7.40 4.46 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.67 0.00 20 F 7.63 4.81 0.00 3.02 2.99 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 21 K 8.71 4.13 0.00 1.77 1.73 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.00 7.81 22 E 8.31 4.11 0.00 2.11 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 0.00 2.41 2.39 0.00 23 G 7.42 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 24 Y 7.97 4.33 0.00 3.02 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 25 F 8.31 4.98 0.00 3.13 2.87 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 0.00 0.00 0.00 26 S 8.43 4.59 0.00 4.02 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 27 P 0.00 4.42 0.00 2.06 2.17 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 28 L 7.89 4.06 0.00 1.63 1.72 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.59 4.05 1.12 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 0.00 0.00 *32 A 7.98 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 33 R 8.03 3.89 0.00 2.07 1.99 0.00 3.08 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.84 0.00 34 L 7.85 4.03 0.00 1.77 1.66 0.93 0.78 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 35 T 7.83 4.08 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 1.21 0.00 0.00 36 E 7.77 3.94 0.00 2.23 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 0.00 2.32 2.35 0.00 37 E 7.97 4.03 0.00 2.03 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 2.40 2.54 0.00 38 L 8.10 4.05 0.00 1.89 1.67 0.94 0.99 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 39 G 7.85 3.79 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 0.00 0.00 0.00 40 E 7.92 4.01 0.00 2.14 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 2.34 2.52 0.00 41 L 7.99 3.95 0.00 1.87 1.96 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.59 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.28 3.80 0.00 1.97 2.15 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 44 E 8.36 3.93 0.00 2.13 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 2.32 2.41 0.00 45 V 7.91 3.89 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 0.88 0.00 0.00 1.06 0.00 0.00 46 N 8.32 4.36 0.00 3.00 2.87 0.00 0.00 7.11 7.90 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 47 H 7.61 4.23 0.00 3.29 3.25 0.00 5.71 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.12 3.81 0.00 1.43 1.44 0.00 2.92 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.50 0.00 49 Y 7.79 4.78 0.00 3.00 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 50 G 7.76 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.65 4.51 0.00 1.95 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 2.23 2.31 0.00 52 K 7.68 4.31 0.00 1.48 1.52 0.00 1.61 0.00 0.00 1.38 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.41 7.81 53 P 0.00 4.31 0.00 2.08 2.01 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 54 K 8.51 4.07 0.00 1.77 1.61 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.04 7.81 55 K 8.45 4.05 0.00 1.67 1.71 0.00 1.62 0.00 0.00 1.47 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.30 7.81 56 A 8.55 4.16 1.25 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 57 T 7.95 3.82 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 58 E 8.51 4.25 0.00 1.98 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 2.23 1.87 0.00 59 D 8.55 4.51 0.00 2.59 2.62 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 60 D 8.37 4.92 0.00 2.74 2.47 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 0.00 0.00 0.00 0.00 61 K 8.46 4.61 0.00 1.76 1.79 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.35 7.81 62 S 8.04 4.23 0.00 4.06 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 *64 E 8.32 4.29 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 2.32 2.36 0.00 65 E 8.34 3.99 0.00 2.02 1.98 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 2.32 2.67 0.00 66 E 8.60 4.07 0.00 1.99 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 0.00 2.64 2.51 0.00 67 I 7.66 4.17 1.90 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 1.61 0.97 0.94 0.00 0.00 68 G 8.53 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 69 D 8.12 4.42 0.00 2.76 2.86 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 70 V 7.36 3.62 2.12 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 1.11 0.00 0.00 1.03 0.00 0.00 71 L 8.08 3.95 0.00 1.89 1.92 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 72 F 8.42 4.04 0.00 3.29 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 73 V 8.47 3.59 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 1.11 0.00 0.00 1.16 0.00 0.00 74 L 8.23 3.89 0.00 1.92 1.78 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.77 3.48 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 0.87 0.00 0.00 0.95 0.00 0.00 76 C 7.91 3.83 0.00 2.97 2.86 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 77 L 8.10 3.85 0.00 1.69 1.74 0.88 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.61 3.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.20 4.13 0.00 2.33 2.85 0.00 0.00 6.80 7.24 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 80 S 6.83 3.44 0.00 3.72 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 81 L 6.76 4.61 0.00 1.52 1.61 0.88 1.01 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 82 D 8.45 4.40 0.00 2.72 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 83 I 7.63 4.25 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.65 0.87 0.00 0.00 84 S 8.34 4.47 0.00 3.86 3.87 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 0.00 0.00 0.00 85 L 8.42 3.93 0.00 1.70 1.68 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.18 3.91 0.00 2.02 1.95 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 2.38 2.39 0.00 87 E 7.98 4.09 0.00 2.01 2.12 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 2.29 2.29 0.00 88 A 8.22 4.08 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 89 H 8.52 4.10 0.00 3.24 3.57 0.00 5.79 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 90 D 7.72 4.30 0.00 2.79 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 91 R 7.50 3.97 0.00 1.89 1.86 0.00 3.22 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 92 V 7.07 3.33 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 0.48 0.00 0.00 0.79 0.00 0.00 *94 H 8.32 4.60 0.00 3.23 3.49 0.00 5.74 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 95 K 8.10 4.20 0.00 1.93 1.93 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.64 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.35 7.81 96 F 8.39 4.41 0.00 3.06 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 97 N 9.31 4.71 0.00 2.85 2.93 0.00 0.00 5.82 7.71 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 98 T 7.70 4.02 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 * Residues marked with a * may have inaccurate shift predictions.