NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.1112 8.4401 121.4731 51.5306 32.2110 174.6445 2 A 3.2983 8.0821 122.1073 52.7454 16.0882 175.7402 3 A 4.9832 9.0376 123.6811 50.4658 24.7453 174.9769 4 V 4.5269 8.3605 119.1293 61.5198 33.6059 174.9713 5 T 4.5424 8.4669 124.2076 63.3857 70.5149 174.1265 6 Q 4.8105 8.5167 125.2412 55.2254 30.8350 172.9117 7 S 5.2709 8.4428 118.4879 54.8731 67.0240 171.7996 8 P 4.6145 0.0000 0.0000 63.3143 31.7476 176.8022 9 R 4.1457 8.6294 118.5274 59.1133 30.5279 175.9849 10 N 5.4355 7.6468 114.5111 51.6274 41.9517 173.3814 11 K 4.4538 8.8262 120.0076 56.2396 36.2635 174.0269 12 V 4.9141 7.9663 123.0618 62.3770 34.7578 172.0508 13 A 4.4206 8.4436 124.8308 51.6726 23.1359 175.8082 14 V 5.1654 8.4105 112.1483 60.1917 33.4245 176.0789 15 T 3.6467 8.0416 119.3170 62.3063 70.0283 175.6267 16 G 3.8646 8.7193 110.1467 46.3357 0.0000 174.2615 17 G 3.7347 7.7838 109.0621 45.3611 0.0000 172.5604 18 K 4.7511 8.1615 118.7476 53.3455 34.3347 175.4037 19 V 4.4441 8.1824 125.1974 61.3872 34.1814 175.3422 20 T 4.3010 7.8968 121.2586 60.9243 68.7707 171.6472 21 L 4.0996 7.6774 124.4007 55.6591 42.2446 177.6775 22 S 4.5944 8.6523 121.0466 58.2054 65.4707 172.6568 23 C 5.1671 8.0620 114.6019 59.8214 33.9131 172.4059 24 N 5.0327 8.8945 130.6677 54.8662 40.9104 174.2479 25 Q 4.9850 7.7755 126.4984 57.4362 31.9358 174.8590 26 T 4.7213 7.7733 115.3244 61.0007 69.1455 174.2312 27 N 4.6907 7.5817 113.5669 52.8030 38.9442 174.2410 28 N 4.0011 8.4372 112.0179 54.4986 36.6308 173.6145 29 H 4.2997 7.8210 115.1494 55.8284 28.6525 175.0886 30 N 4.8390 8.8094 122.6201 55.5134 38.8144 175.7314 31 N 4.5644 7.8181 114.8263 53.2082 39.7170 173.6459 32 M 5.1832 7.8166 119.8917 55.0652 37.3415 173.9835 33 Y 5.0477 9.4731 119.0141 57.8623 43.1211 173.4569 34 W 5.7363 8.8117 116.9849 58.5141 33.4839 173.6483 35 Y 5.0544 9.2805 122.6096 56.4069 41.1351 174.9942 36 R 4.6950 9.0313 121.7580 54.5919 32.3638 174.4099 37 Q 4.6511 9.5137 129.9001 55.7931 30.1267 174.3419 38 D 5.1125 9.2915 126.9827 52.1732 44.8357 175.7488 39 T 4.0575 8.6168 112.6752 63.4501 69.0757 174.8572 40 G 4.1660 9.1511 111.9099 45.7999 0.0000 173.8399 41 H 4.7504 7.6341 112.2722 54.1198 31.9669 175.6893 42 G 3.8519 8.5303 107.9008 45.5821 0.0000 173.0320 43 L 4.9569 8.1670 121.9377 54.2078 43.0010 175.9869 44 R 4.9223 8.3087 117.1493 55.0793 34.9212 174.0656 45 L 3.9118 8.5809 124.4614 54.9201 43.4589 175.3069 46 I 4.2371 8.2386 123.0098 62.5989 39.8820 174.9209 47 H 5.2744 8.0157 117.7068 54.3585 33.3838 171.5406 48 Y 5.3018 8.5465 119.3253 55.6407 42.1693 173.8596 49 S 4.8503 8.9375 114.4150 56.8298 66.1446 173.5294 50 Y 4.4621 8.8180 123.3914 58.0952 37.9609 175.0481 51 G 3.5643 8.6989 107.2129 44.8753 0.0000 173.3061 52 A 3.7805 7.7825 119.0335 51.4522 17.4355 177.0176 53 G 3.9776 8.4017 109.8401 46.2586 0.0000 172.6752 54 S 4.7385 7.4600 113.0764 56.8410 64.8009 174.3524 55 T 4.5986 8.1072 115.8723 63.3365 70.9328 171.2215 56 E 4.4949 8.8852 128.0458 53.8449 32.0157 175.2797 57 K 3.7531 8.5191 125.2273 57.3395 33.1622 177.9027 58 G 4.4076 8.4082 108.5193 44.8359 0.0000 173.9271 59 D 4.8197 7.0288 123.3764 53.5104 43.5597 174.6674 60 I 4.7583 7.3088 117.8838 59.8792 38.0516 172.7424 61 P 4.4651 0.0000 0.0000 65.6925 32.1355 175.8512 62 D 4.3330 8.0004 121.0543 57.3536 40.1583 176.7510 63 G 3.7107 8.7422 112.0793 45.2944 0.0000 170.9148 *65 Y 5.0747 7.2640 115.7060 57.9708 39.5432 175.3537 66 K 4.3825 9.3582 121.9979 54.6358 35.4561 175.2559 67 A 4.4046 8.3182 126.9682 51.2618 19.5606 176.3844 68 S 4.5127 8.6678 115.7660 56.6759 65.4755 172.9667 69 R 4.6232 8.3686 130.0703 55.5306 30.0996 174.5355 70 P 4.5055 0.0000 0.0000 63.2351 31.0280 176.9973 71 S 4.7888 8.3884 110.3051 55.6634 66.5365 174.2832 72 Q 3.7001 8.3019 124.2220 59.2981 28.6920 178.7422 73 E 3.7365 7.6706 114.6021 60.9348 30.0553 177.9245 74 N 5.1477 7.9268 117.4120 52.6964 40.3396 174.5162 75 F 5.1695 8.0772 118.1498 58.2840 41.8987 172.6920 76 S 5.0190 7.8731 120.8166 55.5511 66.4339 173.0325 77 L 4.3433 7.3482 122.4249 53.6500 44.2861 175.2007 78 I 4.5055 7.8268 120.4392 59.3531 41.5587 175.0316 79 L 4.5500 7.9335 125.5400 53.1505 39.3842 176.0354 80 E 3.6517 8.5551 122.4901 60.8753 30.4917 176.9366 81 L 4.2597 7.4702 120.8099 54.8055 43.0976 176.0558 82 A 4.5101 7.5649 128.4813 51.2746 21.1098 176.1759 83 T 4.1989 7.6939 109.1336 60.9349 70.2308 172.3331 84 P 4.5388 0.0000 0.0000 64.8572 31.6932 178.4666 85 S 4.1282 7.7757 113.5720 61.3704 62.9706 175.0114 86 Q 4.5508 8.2771 118.5602 56.1585 28.2645 175.4842 87 T 5.0685 7.8020 116.0530 62.4339 69.3839 174.6073 88 S 4.5025 7.7318 119.1757 58.6192 67.4109 174.2867 89 V 5.3800 6.8022 118.8851 61.0827 33.2068 175.7595 90 Y 6.1395 8.4584 124.4709 55.8725 41.7898 174.6163 91 F 5.7395 9.6324 118.3744 55.7052 44.0443 172.9485 92 C 4.2828 8.2456 116.0062 55.4169 31.5218 172.4148 93 A 4.8297 8.2443 123.2992 50.2923 22.8385 174.9816 94 S 5.5271 9.1057 114.7426 56.6564 66.5063 173.1766 95 G 5.0686 8.2307 119.4739 46.3948 0.0000 173.3829 96 G 3.9334 6.8040 114.9828 44.5407 0.0000 170.2536 97 G 4.1737 6.4449 112.7777 44.5855 0.0000 172.4428 98 G 3.8702 7.3508 106.0896 45.9687 0.0000 172.1682 *105 T 4.6761 7.4813 114.1298 61.4836 66.6579 173.1002 106 L 4.9009 7.6923 123.0926 54.7497 43.3005 176.8673 107 Y 4.7611 8.2709 117.4666 56.4698 41.4102 175.5252 108 F 4.6825 9.3431 122.9056 56.7093 40.8383 175.1466 109 G 4.0243 8.4016 107.4695 44.2869 0.0000 172.8652 110 A 3.8449 8.9065 118.0532 53.2335 17.5288 177.4501 111 G 3.7566 7.0645 106.5138 44.0540 0.0000 171.6908 112 T 5.5059 7.2090 116.4590 60.5475 73.4314 173.5401 113 R 4.8960 8.6391 123.3433 54.6511 32.7341 174.6819 114 L 5.6610 8.7565 127.6537 52.7946 44.3776 175.1761 115 S 4.8785 8.6218 123.1953 56.7343 64.9955 174.5660 116 V 5.3351 8.3381 128.1519 60.6279 30.0096 175.7977 *316 L 4.5251 7.5974 124.7359 54.6697 42.1213 177.1726 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 E 8.44 4.11 0.00 1.96 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 2.28 2.34 0.00 2 A 8.08 3.30 1.60 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 3 A 9.04 4.98 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 4 V 8.36 4.53 2.37 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 1.07 0.00 0.00 1.05 0.00 0.00 5 T 8.47 4.54 4.29 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 0.00 0.00 0.00 1.26 0.00 0.00 6 Q 8.52 4.81 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.70 0.00 7 S 8.44 5.27 0.00 3.89 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 8 P 0.00 4.61 0.00 2.36 2.08 0.00 3.79 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 2.00 1.99 0.00 9 R 8.63 4.15 0.00 1.81 2.03 0.00 3.09 0.00 0.00 3.36 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 10 N 7.65 5.44 0.00 2.57 2.70 0.00 0.00 6.65 7.61 0.00 0.00 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 K 8.83 4.45 0.00 1.83 1.58 0.00 1.54 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.26 1.35 7.81 12 V 7.97 4.91 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 0.77 0.00 0.00 0.97 0.00 0.00 13 A 8.44 4.42 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 14 V 8.41 5.17 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 0.88 0.00 0.00 0.91 0.00 0.00 15 T 8.04 3.65 4.22 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 1.23 0.00 0.00 16 G 8.72 3.86 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 0.00 0.00 0.00 17 G 7.78 3.73 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 0.00 0.00 0.00 18 K 8.16 4.75 0.00 1.76 1.60 0.00 1.49 0.00 0.00 2.24 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.23 1.27 7.81 19 V 8.18 4.44 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 0.84 0.00 0.00 0.87 0.00 0.00 20 T 7.90 4.30 4.19 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 1.15 0.00 0.00 21 L 7.68 4.10 0.00 1.70 1.71 0.52 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.65 4.59 0.00 4.01 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 23 C 8.06 5.17 0.00 3.14 3.38 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 24 N 8.89 5.03 0.00 2.69 2.75 0.00 0.00 6.99 7.69 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 25 Q 7.78 4.99 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.49 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 26 T 7.77 4.72 4.22 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 1.21 0.00 0.00 27 N 7.58 4.69 0.00 2.40 2.69 0.00 0.00 6.26 6.96 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 28 N 8.44 4.00 0.00 2.73 2.85 0.00 0.00 7.09 8.16 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 29 H 7.82 4.30 0.00 3.20 3.19 0.00 5.67 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.81 4.84 0.00 2.65 3.09 0.00 0.00 7.32 8.00 0.00 0.00 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 N 7.82 4.56 0.00 2.80 2.51 0.00 0.00 6.93 7.66 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 32 M 7.82 5.18 0.00 1.62 1.22 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 33 Y 9.47 5.05 0.00 2.87 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 34 W 8.81 5.74 0.00 3.32 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 9.28 5.05 0.00 3.17 3.06 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 36 R 9.03 4.69 0.00 2.01 1.86 0.00 3.44 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.91 0.00 37 Q 9.51 4.65 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 38 D 9.29 5.11 0.00 2.56 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.62 4.06 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 1.23 0.00 0.00 40 G 9.15 4.17 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 0.00 41 H 7.63 4.75 0.00 3.12 3.36 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.53 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 0.00 0.00 0.00 43 L 8.17 4.96 0.00 1.65 1.89 0.77 0.78 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 44 R 8.31 4.92 0.00 1.80 1.83 0.00 3.17 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 45 L 8.58 3.91 0.00 1.54 1.50 0.56 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.24 4.24 1.73 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 0.52 0.57 0.77 0.00 0.00 47 H 8.02 5.27 0.00 3.11 3.25 0.00 5.75 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.55 5.30 0.00 2.46 2.98 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 49 S 8.94 4.85 0.00 3.73 2.69 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 0.00 0.00 0.00 50 Y 8.82 4.46 0.00 2.81 2.93 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 51 G 8.70 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.78 3.78 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 53 G 8.40 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 54 S 7.46 4.74 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 55 T 8.11 4.60 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 1.37 0.00 0.00 56 E 8.89 4.49 0.00 2.01 1.52 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 2.14 2.21 0.00 57 K 8.52 3.75 0.00 1.53 1.60 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.39 7.81 58 G 8.41 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 0.00 0.00 0.00 0.00 59 D 7.03 4.82 0.00 2.58 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 60 I 7.31 4.76 1.83 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 1.51 0.76 1.03 0.00 0.00 61 P 0.00 4.47 0.00 2.24 2.12 0.00 3.85 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 2.03 1.98 0.00 62 D 8.00 4.33 0.00 2.78 2.79 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 63 G 8.74 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 *65 Y 7.26 5.07 0.00 2.82 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 66 K 9.36 4.38 0.00 1.55 1.62 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.30 7.81 67 A 8.32 4.40 1.26 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 0.00 0.00 68 S 8.67 4.51 0.00 3.88 3.68 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 69 R 8.37 4.62 0.00 2.41 1.91 0.00 3.38 0.00 0.00 2.58 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 70 P 0.00 4.51 0.00 2.16 1.98 0.00 4.07 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 71 S 8.39 4.79 0.00 3.85 3.73 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 72 Q 8.30 3.70 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.53 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 73 E 7.67 3.74 0.00 2.00 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 2.34 2.44 0.00 74 N 7.93 5.15 0.00 2.83 2.86 0.00 0.00 6.76 7.33 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 75 F 8.08 5.17 0.00 2.95 3.10 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 76 S 7.87 5.02 0.00 3.79 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 77 L 7.35 4.34 0.00 0.27 0.66 0.71 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.83 4.51 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.68 0.80 0.00 0.00 79 L 7.93 4.55 0.00 1.44 1.57 0.82 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.56 3.65 0.00 1.90 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 2.24 2.23 0.00 81 L 7.47 4.26 0.00 1.58 1.48 0.87 0.93 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 82 A 7.56 4.51 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 T 7.69 4.20 4.19 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 1.13 0.00 0.00 84 P 0.00 4.54 0.00 2.26 2.60 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 85 S 7.78 4.13 0.00 4.06 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 86 Q 8.28 4.55 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 87 T 7.80 5.07 4.34 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 1.29 0.00 0.00 88 S 7.73 4.50 0.00 3.82 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.80 5.38 2.20 0.00 0.00 0.00 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 0.95 0.00 0.00 90 Y 8.46 6.14 0.00 3.17 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 91 F 9.63 5.74 0.00 3.13 3.03 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 0.00 0.00 0.00 92 C 8.25 4.28 0.00 2.26 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 93 A 8.24 4.83 0.69 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 0.00 0.00 0.00 0.00 0.00 94 S 9.11 5.53 0.00 3.96 4.16 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 95 G 8.23 5.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 6.80 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 0.00 0.00 0.00 97 G 6.44 4.17 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 0.00 98 G 7.35 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 *105 T 7.48 4.68 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 1.31 0.00 0.00 106 L 7.69 4.90 0.00 1.35 1.32 0.15 0.79 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 0.00 107 Y 8.27 4.76 0.00 2.80 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 0.00 108 F 9.34 4.68 0.00 2.77 2.98 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 0.00 109 G 8.40 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.91 3.84 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 G 7.06 3.76 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 0.00 0.00 0.00 112 T 7.21 5.51 4.36 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 1.35 0.00 0.00 113 R 8.64 4.90 0.00 1.74 1.86 0.00 3.09 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 114 L 8.76 5.66 0.00 1.85 1.74 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.62 4.88 0.00 3.80 3.76 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 0.00 116 V 8.34 5.34 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 1.18 0.00 0.00 0.94 0.00 0.00 *316 L 7.60 4.53 0.00 1.67 1.59 0.92 1.13 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 * Residues marked with a * may have inaccurate shift predictions.