NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8249 8.2893 118.3563 56.9231 33.0425 173.4326 2 K 4.6870 8.2582 115.9536 56.5160 36.5996 172.0435 3 M 4.8980 8.9943 120.4124 53.6712 35.5752 175.3913 4 V 4.7119 8.9471 126.1749 61.2759 34.0137 174.2554 5 V 4.6296 8.6984 128.4758 61.4178 33.4509 174.3551 6 V 4.6818 9.5623 129.7229 61.4647 33.3644 174.2501 7 I 4.7882 8.4184 129.0654 59.2751 39.9201 175.3965 8 R 4.4164 8.5333 126.5595 56.2996 30.3234 176.0406 9 N 4.8302 8.8954 121.8586 52.9710 39.5902 174.5442 10 D 4.9205 7.9867 114.9769 53.4548 38.3218 176.5142 11 L 4.4596 7.8297 117.7837 54.3734 42.6119 177.3874 12 G 3.9732 8.2484 105.9965 46.4126 0.0000 173.7893 13 M 4.1030 7.3843 118.0611 54.8217 32.5362 177.7310 14 G 3.9557 8.3869 109.9295 43.6032 0.0000 174.6222 15 K 4.0843 8.5361 118.6594 59.4289 31.9736 179.7804 16 G 3.6045 8.0218 105.4403 47.6351 0.0000 175.4253 17 K 3.9313 7.9670 121.7282 59.5880 32.2916 178.6503 18 M 4.0393 8.1196 118.9238 58.2205 31.7258 179.0086 19 V 3.5368 7.8807 118.2845 65.8289 31.6918 178.0025 20 A 3.8629 7.9245 120.4622 55.3089 18.2560 179.6990 21 Q 4.0038 8.3751 117.0496 59.0330 28.8020 179.2248 22 G 3.7144 8.3544 107.0298 47.6400 0.0000 175.9288 23 G 3.6674 8.3506 108.5022 47.8399 0.0000 175.3987 24 H 4.2568 8.4216 118.8603 58.5938 28.7988 177.6118 25 A 4.0179 8.1231 122.3504 55.3122 18.2568 179.4501 26 I 3.6695 8.2009 118.6017 64.7843 37.2489 178.7190 27 I 3.8065 7.8398 120.1535 64.5567 37.0880 178.3030 28 E 4.0360 8.3887 119.1731 59.5549 29.2991 179.4180 29 A 4.0472 8.7253 121.0235 54.8462 18.2723 179.5578 30 F 4.0208 8.3132 119.2607 61.6111 39.5224 177.5211 31 L 3.9246 8.6499 118.5349 57.1484 41.3515 178.9511 32 D 4.2978 7.9107 118.1530 56.9730 41.2754 178.1077 33 A 3.9534 8.0030 121.2256 54.5944 18.0470 179.6195 34 K 3.6944 7.7980 118.4494 59.4945 32.3242 179.0144 35 R 4.0291 7.4159 115.5514 59.1292 29.4587 178.7286 36 K 4.2649 7.6640 118.0428 58.3067 33.4530 177.3619 37 N 4.7980 8.3586 116.3458 50.5149 41.1164 172.2774 38 P 4.1766 0.0000 0.0000 65.5200 31.7546 177.7565 39 R 4.0841 8.0285 115.6768 59.2615 29.8483 178.8396 40 A 4.0507 8.2421 120.6278 55.0225 18.3072 179.9212 41 V 3.6709 7.5871 116.4757 66.2628 31.6357 177.8492 42 D 4.4951 8.1619 118.5828 57.1745 40.6152 178.2283 43 E 3.9521 8.2390 119.9005 59.0698 29.5559 178.6207 44 W 4.4309 8.0741 128.2609 60.6788 30.8503 177.6699 45 L 3.5965 8.1319 118.8083 57.8552 40.8702 179.5216 46 R 3.8927 7.9705 117.3159 59.4324 30.1111 177.6560 47 E 4.2991 7.8849 114.8774 56.7081 29.5203 177.4937 48 G 3.7172 7.4868 107.9554 44.2319 0.0000 173.8889 49 Q 2.0000 7.2727 116.6643 55.3539 27.8567 174.5232 50 K 4.1424 7.5463 118.9055 57.7898 33.9652 176.1898 51 K 5.8179 8.6026 124.5126 53.6433 35.9755 175.5460 52 V 4.4045 8.5321 123.8074 61.0301 34.5951 174.0202 53 V 4.6906 8.4212 127.4551 61.6623 33.3496 174.9236 54 V 5.0282 8.7327 121.5340 59.3949 35.1851 174.5915 55 K 5.6790 8.5878 119.5869 54.4065 35.6546 176.0981 56 V 4.6178 8.2587 113.3588 59.9868 35.5396 175.9843 57 N 4.7769 9.3169 119.0622 53.8059 39.3908 175.6032 58 S 4.7835 7.4254 112.5238 55.8848 67.1234 174.5710 59 E 3.9027 8.6908 122.4466 59.4530 29.3015 178.7146 60 K 3.9987 8.0175 119.0983 59.3477 32.2228 178.2394 61 E 3.9060 7.9472 119.4357 59.0912 29.6216 178.2608 62 L 3.9422 7.9452 120.3155 58.4798 42.0853 178.8252 63 I 3.7663 8.2896 119.7630 64.7459 37.1020 178.1630 64 D 4.4050 8.5660 119.8637 57.3520 40.6560 178.8810 65 I 3.7241 8.0124 120.4083 64.4897 37.1579 177.8260 66 Y 4.0171 8.0582 120.2315 60.8313 38.4748 177.5128 67 N 4.1039 8.4195 116.9060 56.4179 39.2099 176.4478 68 K 3.9886 8.1488 120.6700 59.4283 32.3758 178.3545 69 A 3.9002 7.8070 121.0269 55.5970 18.2324 179.8100 70 R 3.6970 7.6661 116.1198 59.1349 29.7531 179.1690 71 S 4.0134 7.7236 112.3183 61.5105 62.5959 175.7921 72 E 4.1968 8.0242 117.1891 56.2359 29.3099 176.8800 73 G 3.8723 7.6250 107.0601 46.4987 0.0000 173.9358 74 L 4.5152 7.4594 118.3328 52.4674 43.4053 175.3735 75 P 4.6473 0.0000 0.0000 63.2089 32.5293 175.2706 76 C 5.1951 8.7671 117.5655 58.4318 32.9546 172.4558 77 S 4.8897 8.6525 112.4416 57.6442 66.2784 173.2003 78 I 4.7134 7.9694 119.8075 59.4315 41.0640 173.9625 79 I 4.5016 8.7028 129.4642 59.5074 39.9661 174.5863 80 R 4.8151 8.4101 125.5977 54.6249 32.4067 173.8927 81 D 4.8092 9.4396 127.6516 52.8360 42.5389 175.7904 82 A 4.2870 8.6676 127.8309 52.0113 19.2035 178.6489 83 G 4.2987 8.4730 110.3461 44.7962 0.0000 175.0617 *86 Q 4.1290 8.5167 123.8288 55.0808 30.1073 175.0869 87 L 3.6037 7.8586 115.3475 56.1611 39.7175 174.1251 88 E 4.4620 7.7316 117.8629 54.2559 31.2054 173.1096 89 P 4.7148 0.0000 0.0000 62.2547 32.5244 175.9014 90 G 3.9644 8.5319 108.5360 47.0077 0.0000 172.5444 91 T 4.8482 9.0238 115.5262 61.6581 73.3095 173.6086 92 L 4.7167 8.5730 125.4664 54.6360 41.9684 176.2477 93 T 4.5506 8.6404 113.9551 62.5691 71.5285 174.0045 94 A 5.1141 7.6147 121.1392 50.6258 22.9607 175.1480 95 V 4.9685 9.2872 118.0185 61.2969 35.7283 174.0167 96 A 5.0862 8.7030 127.1551 50.2592 22.8425 174.9415 97 I 4.6806 9.3158 122.1104 60.7289 40.7563 174.8980 98 G 3.5209 8.7717 113.4201 42.9967 0.0000 171.2856 99 P 4.6072 0.0000 0.0000 62.9557 32.0594 175.1603 100 E 4.6838 7.9836 118.6745 55.4607 34.1019 174.7523 101 K 4.1958 8.3733 120.0596 56.8790 32.9261 177.8160 102 D 4.4432 9.2611 125.0201 57.9519 40.9101 179.0419 103 E 3.9300 8.2607 117.9249 59.9448 29.3359 179.8098 104 K 3.9624 8.0372 115.9360 59.4452 32.2734 178.9661 105 I 3.9599 7.3982 119.7037 64.2431 37.2194 177.9278 106 D 4.3662 8.7311 119.9590 57.3737 40.3389 179.0449 107 K 3.9996 7.7793 117.8490 58.9445 32.0135 178.6731 108 I 4.1832 7.7265 119.2051 63.2886 38.1213 177.4325 109 T 4.4511 7.5520 107.5743 61.3211 69.0369 176.1637 110 G 3.7666 8.3777 112.2480 48.4897 0.0000 174.3007 111 H 4.6608 7.9514 113.2147 56.1432 29.5769 175.5125 112 L 4.1765 7.2208 120.7241 54.6443 42.2632 177.1398 113 K 4.3542 8.5217 121.5544 55.7493 33.6129 176.5868 114 L 4.5325 8.3979 123.2985 54.4900 42.6051 177.0456 115 L 4.1099 8.5992 123.2581 55.4655 41.9898 176.6767 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 M 8.29 4.82 0.00 2.05 2.37 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.89 0.00 2 K 8.26 4.69 0.00 2.05 2.03 0.00 1.30 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.48 7.81 3 M 8.99 4.90 0.00 2.10 1.29 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 4 V 8.95 4.71 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 0.87 0.00 0.00 0.94 0.00 0.00 5 V 8.70 4.63 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 0.98 0.00 0.00 0.98 0.00 0.00 6 V 9.56 4.68 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 0.92 0.00 0.00 0.94 0.00 0.00 7 I 8.42 4.79 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 1.24 0.98 0.91 0.00 0.00 8 R 8.53 4.42 0.00 1.82 2.03 0.00 3.13 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 9 N 8.90 4.83 0.00 2.72 2.79 0.00 0.00 7.10 7.79 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 10 D 7.99 4.92 0.00 2.80 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 11 L 7.83 4.46 0.00 1.70 1.69 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.25 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 13 M 7.38 4.10 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 14 G 8.39 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 0.00 0.00 0.00 15 K 8.54 4.08 0.00 1.81 1.87 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 16 G 8.02 3.60 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 0.00 0.00 0.00 17 K 7.97 3.93 0.00 1.87 1.97 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.59 7.81 18 M 8.12 4.04 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.54 0.00 19 V 7.88 3.54 2.22 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 1.07 0.00 0.00 0.97 0.00 0.00 20 A 7.92 3.86 1.30 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 0.00 0.00 21 Q 8.38 4.00 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 22 G 8.35 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 23 G 8.35 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 0.00 0.00 0.00 24 H 8.42 4.26 0.00 3.34 3.33 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.12 4.02 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 26 I 8.20 3.67 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.02 1.01 0.00 0.00 27 I 7.84 3.81 2.07 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 1.54 0.82 0.99 0.00 0.00 28 E 8.39 4.04 0.00 2.16 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 2.51 2.49 0.00 29 A 8.73 4.05 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 0.00 0.00 0.00 0.00 0.00 30 F 8.31 4.02 0.00 3.30 3.27 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 0.00 31 L 8.65 3.92 0.00 1.74 1.74 1.00 1.12 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 32 D 7.91 4.30 0.00 2.99 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 33 A 8.00 3.95 1.17 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 0.00 0.00 0.00 0.00 0.00 34 K 7.80 3.69 0.00 1.27 1.75 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.26 7.81 35 R 7.42 4.03 0.00 1.94 2.01 0.00 3.10 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 36 K 7.66 4.26 0.00 1.70 1.86 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.43 1.60 7.81 37 N 8.36 4.80 0.00 2.63 2.59 0.00 0.00 7.19 7.29 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 38 P 0.00 4.18 0.00 2.17 2.09 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.41 0.00 39 R 8.03 4.08 0.00 1.96 1.99 0.00 3.30 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 40 A 8.24 4.05 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.59 3.67 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 1.05 0.00 0.00 0.69 0.00 0.00 42 D 8.16 4.50 0.00 2.96 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 43 E 8.24 3.95 0.00 2.24 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 0.00 2.67 2.37 0.00 44 W 8.07 4.43 0.00 3.36 3.55 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 45 L 8.13 3.60 0.00 1.94 1.67 1.10 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.97 3.89 0.00 1.89 2.20 0.00 3.26 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 47 E 7.88 4.30 0.00 2.15 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 0.00 2.37 2.39 0.00 48 G 7.49 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 49 Q 7.27 2.00 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 50 K 7.55 4.14 0.00 1.92 1.90 0.00 1.71 0.00 0.00 1.90 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.54 7.81 51 K 8.60 5.82 0.00 1.72 1.76 0.00 1.90 0.00 0.00 2.43 0.00 0.00 3.00 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.69 1.77 7.81 52 V 8.53 4.40 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 1.07 0.00 0.00 0.97 0.00 0.00 53 V 8.42 4.69 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 1.08 0.00 0.00 0.96 0.00 0.00 54 V 8.73 5.03 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 0.68 0.00 0.00 0.99 0.00 0.00 55 K 8.59 5.68 0.00 1.71 1.72 0.00 1.54 0.00 0.00 1.56 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.23 7.81 56 V 8.26 4.62 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 0.87 0.00 0.00 0.94 0.00 0.00 57 N 9.32 4.78 0.00 2.70 2.85 0.00 0.00 6.75 8.31 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 58 S 7.43 4.78 0.00 4.00 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 59 E 8.69 3.90 0.00 2.05 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 0.00 2.38 2.36 0.00 60 K 8.02 4.00 0.00 1.87 1.80 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.51 7.81 61 E 7.95 3.91 0.00 2.08 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 2.34 2.34 0.00 62 L 7.95 3.94 0.00 1.81 1.86 0.96 0.89 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 63 I 8.29 3.77 2.11 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 1.61 0.80 0.97 0.00 0.00 64 D 8.57 4.41 0.00 2.89 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 65 I 8.01 3.72 2.07 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 1.65 1.13 0.94 0.00 0.00 66 Y 8.06 4.02 0.00 3.10 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 67 N 8.42 4.10 0.00 2.89 2.87 0.00 0.00 7.26 6.24 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 68 K 8.15 3.99 0.00 1.92 1.99 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.43 7.81 69 A 7.81 3.90 1.30 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 0.00 0.00 70 R 7.67 3.70 0.00 1.72 1.81 0.00 3.18 0.00 0.00 2.90 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.24 0.00 71 S 7.72 4.01 0.00 3.80 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 72 E 8.02 4.20 0.00 2.06 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 2.27 2.28 0.00 73 G 7.62 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 0.00 0.00 0.00 74 L 7.46 4.52 0.00 1.49 1.53 0.88 1.06 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 75 P 0.00 4.65 0.00 2.13 1.97 0.00 3.54 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 76 C 8.77 5.20 0.00 3.10 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 77 S 8.65 4.89 0.00 3.93 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 78 I 7.97 4.71 0.81 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.91 0.14 0.00 0.00 79 I 8.70 4.50 1.87 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 1.24 1.36 0.97 0.00 0.00 80 R 8.41 4.82 0.00 1.71 1.75 0.00 3.18 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 81 D 9.44 4.81 0.00 3.03 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.67 4.29 1.22 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 0.00 0.00 83 G 8.47 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 0.00 0.00 0.00 *86 Q 8.52 4.13 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.64 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 87 L 7.86 3.60 0.00 1.73 1.72 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.73 4.46 0.00 1.99 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 2.32 2.28 0.00 89 P 0.00 4.71 0.00 2.11 2.03 0.00 3.82 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 1.98 1.97 0.00 90 G 8.53 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 0.00 0.00 0.00 91 T 9.02 4.85 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 92 L 8.57 4.72 0.00 1.50 1.57 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.64 4.55 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 1.25 0.00 0.00 94 A 7.61 5.11 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 95 V 9.29 4.97 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 1.08 0.00 0.00 1.02 0.00 0.00 96 A 8.70 5.09 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 97 I 9.32 4.68 1.85 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 1.16 0.71 0.91 0.00 0.00 98 G 8.77 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.61 0.00 1.53 0.49 0.00 3.03 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.23 0.00 100 E 7.98 4.68 0.00 1.78 1.80 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 2.14 2.15 0.00 101 K 8.37 4.20 0.00 1.75 1.74 0.00 1.58 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.55 7.81 102 D 9.26 4.44 0.00 2.77 2.95 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 0.00 103 E 8.26 3.93 0.00 2.05 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 2.42 2.51 0.00 104 K 8.04 3.96 0.00 1.82 1.86 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.53 7.81 105 I 7.40 3.96 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.73 0.89 0.00 0.00 106 D 8.73 4.37 0.00 2.77 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 0.00 107 K 7.78 4.00 0.00 1.89 1.88 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.75 7.81 108 I 7.73 4.18 1.96 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 1.57 0.51 0.92 0.00 0.00 109 T 7.55 4.45 4.21 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 1.20 0.00 0.00 110 G 8.38 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 0.00 0.00 0.00 111 H 7.95 4.66 0.00 3.28 3.42 0.00 5.54 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.22 4.18 0.00 1.60 1.59 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.52 4.35 0.00 1.71 1.72 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.48 7.81 114 L 8.40 4.53 0.00 1.53 1.61 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.60 4.11 0.00 1.57 1.55 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.