NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 L 4.3280 8.1429 122.7517 54.9205 43.9753 176.1104 11 K 4.9418 8.4619 128.5196 52.8619 35.0427 171.2836 12 L 5.0358 9.5637 123.0057 54.0956 46.6158 174.8363 13 Q 4.9249 9.1152 124.7523 54.3581 31.2493 174.3170 14 F 5.2368 9.5948 128.5318 56.7015 41.0436 174.2301 15 A 4.9038 9.2423 128.3643 50.0832 21.7936 174.7010 16 L 5.3208 7.9832 120.5003 51.3887 44.6205 174.9065 17 P 4.3522 0.0000 0.0000 66.5759 30.7303 177.6153 18 H 4.3649 8.0635 112.7674 57.7895 29.5648 175.0217 19 E 4.4292 7.2614 121.0574 54.0408 31.1603 174.5840 20 T 4.2434 7.7788 116.5387 60.0142 68.2827 173.8113 21 L 3.7949 8.1773 127.5091 56.9917 42.2182 177.2437 22 Y 4.7413 7.8296 116.2039 56.0352 40.3636 175.1421 23 S 4.7719 8.6542 118.6332 58.2410 64.1002 173.1697 24 G 4.0579 9.2705 116.6676 45.5318 0.0000 172.2988 25 S 4.4509 7.8246 113.7222 58.4298 63.9369 173.3797 26 E 5.6008 8.0975 119.3599 53.7203 28.4990 174.7417 27 V 3.6854 7.5207 120.5742 62.5185 32.5314 175.9941 28 T 4.0837 8.4737 122.2723 64.9994 68.1426 174.2623 29 Q 4.8072 8.3156 121.6863 54.9332 33.2595 173.4148 30 V 4.7556 8.4109 125.5283 61.2258 34.0741 173.7827 31 N 5.3750 9.7099 126.1883 52.3146 40.5560 174.0697 32 L 4.6496 8.8874 121.0098 52.9502 47.2388 173.5341 33 P 5.0165 0.0000 0.0000 60.8750 30.7689 174.2275 34 A 5.0558 8.1396 129.3132 51.5218 19.7545 177.4624 35 K 3.7005 8.5489 118.8865 57.4804 32.4226 178.0477 36 S 3.5331 8.4751 122.2049 58.0369 60.3014 173.3236 37 G 3.9280 7.0229 104.6107 45.0269 0.0000 171.7505 38 R 4.5997 8.7530 125.9168 55.3876 30.9155 176.0759 39 I 4.2318 8.1787 125.6244 59.7187 39.4684 175.4170 40 G 4.1069 8.4284 113.9502 43.8839 0.0000 171.8999 41 V 3.7023 8.9711 127.5901 62.3925 32.0801 175.7564 42 L 4.0536 8.4924 128.0715 54.2894 42.2256 178.2242 43 A 3.7840 8.5663 123.4201 54.9701 18.7212 177.5130 44 N 5.3884 7.3294 112.3618 51.8925 39.0943 173.5401 45 H 4.5515 7.9331 117.2068 55.4824 31.2797 174.4360 46 V 3.6599 7.5104 122.8825 61.6173 31.9904 173.7749 47 P 5.0482 0.0000 0.0000 63.1447 31.6120 175.7315 48 T 4.7031 8.5094 120.3656 61.5953 73.1480 173.5399 49 V 4.5821 8.6432 125.9865 62.0395 33.5399 174.8372 50 E 4.8096 9.4212 126.2630 54.5358 34.0811 172.2341 51 Q 3.2871 8.1558 121.4196 54.5199 30.3352 174.9901 52 L 4.4599 8.1944 127.5944 54.0516 42.4673 177.3925 53 L 4.2291 8.2536 126.5843 53.8918 41.8607 171.9977 54 P 4.5558 0.0000 0.0000 62.5204 32.2169 177.4833 55 G 3.5540 6.9609 110.9239 46.5945 0.0000 170.9796 56 V 4.6229 7.9994 119.1992 60.5066 32.4166 172.2056 57 V 4.3817 8.9820 127.4670 59.6316 32.2500 173.4880 58 E 4.7822 8.5820 129.2344 55.3905 31.1339 174.7310 59 V 4.7269 8.6103 127.4510 61.7183 33.7598 174.1057 60 M 5.5321 9.3645 128.3322 52.4126 33.9017 176.9728 61 E 4.8334 8.7116 126.4639 55.3602 31.1710 175.6191 62 G 4.0170 8.8600 111.2258 44.6722 0.0000 173.8537 63 S 4.7572 8.9356 109.8844 57.9225 64.6713 173.9877 64 N 5.2899 7.7821 118.1121 52.9968 42.8791 172.9562 65 S 5.7260 8.5417 116.8474 57.6639 66.6596 173.5813 66 K 4.4105 8.8430 125.9859 54.8935 34.4633 176.3072 67 K 4.5072 8.3565 128.7845 54.8875 33.6550 172.3549 68 F 5.3704 8.4731 119.1027 54.4165 42.8154 174.3662 69 F 4.8090 9.2099 126.0812 58.3272 40.8936 173.8317 70 I 4.7047 7.1087 124.8099 59.5464 40.5273 175.6320 71 S 4.1157 9.1483 122.7399 58.2044 61.9847 175.0800 72 G 4.0689 8.0381 111.2718 45.6542 0.0000 174.1187 73 G 4.1536 9.2892 111.7536 43.5255 0.0000 171.5940 74 F 5.1106 9.2281 119.1161 55.8976 44.1758 173.5278 75 A 5.8493 9.6080 124.2159 49.4383 22.0900 175.2047 76 T 5.0416 8.3502 111.1134 59.8565 72.5072 172.8627 77 V 4.5766 9.1539 126.7810 61.5488 32.7984 175.5812 78 Q 4.5173 9.0235 127.9717 54.8519 29.3247 175.7131 79 P 4.2465 0.0000 0.0000 65.2293 31.3340 176.5648 80 D 4.6726 8.0319 117.3738 53.3221 40.1468 177.0607 81 S 3.7592 8.4204 111.8000 59.9219 61.8379 171.4375 82 Q 4.4592 7.5532 117.2457 55.8379 30.1035 174.6398 83 L 4.9092 8.3719 123.2318 53.6959 44.7407 174.9673 84 C 5.0549 8.9757 124.9292 58.2123 29.8388 172.4767 85 V 4.3709 8.3160 125.1546 61.3313 32.7676 174.4280 86 T 5.2934 8.9749 119.2531 59.9874 71.1919 173.1789 87 A 5.0381 8.8324 126.8538 50.4316 23.0129 177.0388 88 I 3.7567 8.5524 119.4086 63.7345 37.8966 176.6827 89 E 4.6932 7.9267 118.4505 54.3272 33.2502 174.7666 90 A 5.1013 7.6727 125.2309 50.2920 21.8843 175.1746 91 F 5.2541 8.8480 120.8705 54.8757 41.8287 173.4386 92 P 4.7319 0.0000 0.0000 62.0983 32.1864 177.4901 93 L 4.2782 8.4146 119.5899 57.3394 41.8682 179.1015 94 E 4.0782 7.2572 116.0736 59.3912 29.6135 178.2783 95 S 4.6023 7.5133 114.8268 57.4695 63.1873 175.5428 *96 F 4.1040 8.0601 120.0825 60.0951 38.5999 177.9168 97 S 4.2796 7.7181 115.4974 58.9155 63.1410 175.0328 98 Q 4.4386 8.5776 126.0456 55.0804 29.6149 174.2098 99 E 3.7961 7.9847 113.4485 56.8802 29.3010 182.6167 100 N 4.5136 8.9465 115.6249 54.2227 35.6656 177.9448 101 I 4.4842 7.5488 116.3339 60.9128 36.0903 180.7514 102 K 4.2713 8.0159 132.4816 61.0972 32.4427 180.8615 103 N 4.6657 8.1994 122.4499 57.2541 37.3709 179.2454 104 L 4.5251 8.0613 122.7278 59.2406 41.3725 183.5301 105 L 4.7402 7.5901 119.4628 58.8823 42.8099 182.9408 106 A 4.1899 8.4469 123.1933 56.9614 18.3349 180.0787 107 E 4.0716 8.3114 114.1034 60.2073 29.8024 181.4674 108 A 4.3541 7.9235 120.9393 56.3378 18.8212 179.7293 109 K 4.2193 8.7027 125.3514 59.8689 31.8334 182.2684 110 K 4.1644 8.1719 124.3292 57.7220 31.8968 180.8113 111 N 4.5936 7.5641 111.9841 54.0406 37.9126 180.0655 112 V 3.9962 7.7819 119.6051 63.4210 31.9781 176.7126 113 S 4.2598 8.6948 125.0410 60.4002 63.0233 172.7617 *119 E 4.3431 8.2060 115.2726 56.8790 32.0936 182.9484 120 A 4.2861 8.4344 122.4609 54.3758 17.8764 179.3758 121 A 4.0589 8.1002 118.6366 54.6781 18.4270 178.7997 122 E 4.4660 7.9944 114.1065 57.5021 30.8520 178.1317 123 A 3.9503 7.8659 121.0774 55.0535 18.4669 179.1471 124 A 4.1523 7.8445 120.6186 55.8830 18.5777 180.6031 125 I 3.8459 7.4152 121.5154 65.6685 35.9334 181.4044 126 Q 4.5598 8.5610 122.9253 59.7199 27.8688 182.3799 127 V 3.8882 7.6858 121.9819 67.2271 31.6246 184.2080 128 E 4.3609 7.7630 119.3535 61.4642 29.6656 182.0236 129 V 4.3401 7.7441 120.3150 65.8364 32.5988 182.1883 130 L 4.1809 7.3928 121.3582 57.8657 40.8045 181.0706 131 E 4.3875 7.9252 113.4775 57.3259 29.7434 179.2481 132 N 4.9276 7.5879 116.2875 54.9454 40.1205 181.9910 133 L 4.3614 8.7320 120.5633 58.3461 41.4829 181.9371 134 Q 4.3122 7.8861 119.7189 54.7040 26.7254 178.5334 135 S 4.9350 7.4994 113.3247 57.9148 63.9217 177.2600 136 V 4.1197 7.5986 124.4119 62.1179 32.1150 175.7154 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 10 L 8.14 4.33 0.00 1.77 1.71 0.91 0.18 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 11 K 8.46 4.94 0.00 1.55 1.64 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.76 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.35 1.07 7.81 12 L 9.56 5.04 0.00 1.57 1.32 0.83 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 9.12 4.92 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 14 F 9.59 5.24 0.00 3.18 2.97 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 15 A 9.24 4.90 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 16 L 7.98 5.32 0.00 1.43 1.18 0.47 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.35 0.00 1.93 2.14 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 18 H 8.06 4.36 0.00 3.21 3.42 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.26 4.43 0.00 1.99 1.59 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 2.16 2.22 0.00 20 T 7.78 4.24 4.18 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 1.17 0.00 0.00 21 L 8.18 3.79 0.00 1.13 1.06 -0.87 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.83 4.74 0.00 3.25 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 23 S 8.65 4.77 0.00 3.94 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 24 G 9.27 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 0.00 0.00 0.00 25 S 7.82 4.45 0.00 4.10 4.13 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 0.00 0.00 0.00 0.00 26 E 8.10 5.60 0.00 1.95 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 2.20 2.22 0.00 27 V 7.52 3.69 1.83 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 0.69 0.00 0.00 0.33 0.00 0.00 28 T 8.47 4.08 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 1.26 0.00 0.00 29 Q 8.32 4.81 0.00 2.12 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 30 V 8.41 4.76 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 0.74 0.00 0.00 0.82 0.00 0.00 31 N 9.71 5.37 0.00 2.73 2.69 0.00 0.00 6.41 6.62 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 32 L 8.89 4.65 0.00 1.46 1.41 0.83 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 5.02 0.00 2.01 2.12 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.84 0.00 34 A 8.14 5.06 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 35 K 8.55 3.70 0.00 1.59 1.73 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.58 7.81 36 S 8.48 3.53 0.00 3.91 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 37 G 7.02 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 0.00 0.00 0.00 38 R 8.75 4.60 0.00 1.69 1.88 0.00 3.19 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 39 I 8.18 4.23 1.81 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 1.11 0.98 0.81 0.00 0.00 40 G 8.43 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.97 3.70 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 0.91 0.00 0.00 0.87 0.00 0.00 42 L 8.49 4.05 0.00 1.75 1.56 0.94 0.84 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 43 A 8.57 3.78 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 44 N 7.33 5.39 0.00 2.45 2.71 0.00 0.00 7.11 7.77 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 45 H 7.93 4.55 0.00 3.08 3.18 0.00 5.98 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.51 3.66 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 0.80 0.00 0.00 0.89 0.00 0.00 47 P 0.00 5.05 0.00 1.94 2.06 0.00 3.67 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 48 T 8.51 4.70 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 49 V 8.64 4.58 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 0.92 0.00 0.00 0.96 0.00 0.00 50 E 9.42 4.81 0.00 1.60 1.74 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 2.12 2.11 0.00 51 Q 8.16 3.29 0.00 1.65 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.98 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 52 L 8.19 4.46 0.00 1.50 1.51 0.82 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.25 4.23 0.00 1.45 1.47 0.92 0.76 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 54 P 0.00 4.56 0.00 1.99 2.17 0.00 3.83 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 55 G 6.96 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 0.00 0.00 0.00 56 V 8.00 4.62 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 0.74 0.00 0.00 0.93 0.00 0.00 57 V 8.98 4.38 2.31 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 1.12 0.00 0.00 0.90 0.00 0.00 58 E 8.58 4.78 0.00 2.12 1.83 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 2.37 2.31 0.00 59 V 8.61 4.73 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 0.88 0.00 0.00 1.01 0.00 0.00 60 M 9.36 5.53 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.34 0.00 61 E 8.71 4.83 0.00 1.97 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 2.21 2.32 0.00 62 G 8.86 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 63 S 8.94 4.76 0.00 3.98 3.95 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 64 N 7.78 5.29 0.00 2.75 2.66 0.00 0.00 6.60 7.63 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 65 S 8.54 5.73 0.00 3.94 3.80 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 66 K 8.84 4.41 0.00 1.42 1.39 0.00 1.86 0.00 0.00 2.17 0.00 0.00 3.14 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.45 1.46 7.81 67 K 8.36 4.51 0.00 1.45 1.68 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.44 1.04 7.81 68 F 8.47 5.37 0.00 3.17 2.94 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 69 F 9.21 4.81 0.00 3.30 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 70 I 7.11 4.70 1.91 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.46 0.88 0.00 0.00 71 S 9.15 4.12 0.00 3.98 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 72 G 8.04 4.07 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 73 G 9.29 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 74 F 9.23 5.11 0.00 2.96 2.88 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 75 A 9.61 5.85 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 76 T 8.35 5.04 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 1.27 0.00 0.00 77 V 9.15 4.58 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 0.99 0.00 0.00 0.98 0.00 0.00 78 Q 9.02 4.52 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 79 P 0.00 4.25 0.00 2.02 2.11 0.00 3.65 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 2.02 2.07 0.00 80 D 8.03 4.67 0.00 2.89 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 81 S 8.42 3.76 0.00 4.04 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 82 Q 7.55 4.46 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 83 L 8.37 4.91 0.00 1.71 1.42 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 84 C 8.98 5.05 0.00 3.01 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 85 V 8.32 4.37 1.02 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 0.49 0.00 0.00 0.60 0.00 0.00 86 T 8.97 5.29 4.28 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 1.24 0.00 0.00 87 A 8.83 5.04 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 88 I 8.55 3.76 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 1.44 0.62 0.95 0.00 0.00 89 E 7.93 4.69 0.00 1.89 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 2.34 2.34 0.00 90 A 7.67 5.10 0.71 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 91 F 8.85 5.25 0.00 3.16 2.94 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 92 P 0.00 4.73 0.00 2.43 2.22 0.00 4.19 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.10 0.00 93 L 8.41 4.28 0.00 1.72 1.77 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 94 E 7.26 4.08 0.00 2.12 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 0.00 2.35 2.31 0.00 95 S 7.51 4.60 0.00 3.97 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 *96 F 8.06 4.10 0.00 2.32 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 0.00 0.00 0.00 0.00 97 S 7.72 4.28 0.00 3.85 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 98 Q 8.58 4.44 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.11 0.00 0.00 0.00 0.00 0.00 2.19 1.89 0.00 99 E 7.98 3.80 0.00 1.98 1.69 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 2.24 1.89 0.00 100 N 8.95 4.51 0.00 2.87 3.01 0.00 0.00 6.38 7.72 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 0.00 101 I 7.55 4.48 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 1.27 1.18 0.91 0.00 0.00 102 K 8.02 4.27 0.00 1.76 1.83 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 103 N 8.20 4.67 0.00 2.72 2.86 0.00 0.00 6.88 6.67 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 0.00 104 L 8.06 4.53 0.00 1.74 1.61 0.92 0.77 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 0.00 105 L 7.59 4.74 0.00 1.62 1.66 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.45 4.19 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 0.00 107 E 8.31 4.07 0.00 2.09 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 2.24 2.19 0.00 108 A 7.92 4.35 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 0.00 109 K 8.70 4.22 0.00 1.74 1.76 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.32 7.81 110 K 8.17 4.16 0.00 1.81 1.77 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.27 7.81 111 N 7.56 4.59 0.00 2.86 2.75 0.00 0.00 6.94 7.55 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 0.00 112 V 7.78 4.00 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 0.88 0.00 0.00 0.93 0.00 0.00 113 S 8.69 4.26 0.00 3.70 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 *119 E 8.21 4.34 0.00 1.91 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 0.00 2.21 1.89 0.00 120 A 8.43 4.29 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 0.00 121 A 8.10 4.06 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 0.00 122 E 7.99 4.47 0.00 2.19 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 0.00 2.40 2.35 0.00 123 A 7.87 3.95 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 0.00 124 A 7.84 4.15 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 0.00 125 I 7.42 3.85 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 1.38 0.70 0.91 0.00 0.00 126 Q 8.56 4.56 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 127 V 7.69 3.89 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 0.71 0.00 0.00 0.93 0.00 0.00 128 E 7.76 4.36 0.00 2.15 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 2.27 2.22 0.00 129 V 7.74 4.34 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 0.76 0.00 0.00 0.93 0.00 0.00 130 L 7.39 4.18 0.00 1.61 1.71 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 131 E 7.93 4.39 0.00 2.03 1.88 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 2.26 2.12 0.00 132 N 7.59 4.93 0.00 2.79 2.71 0.00 0.00 6.82 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 0.00 133 L 8.73 4.36 0.00 1.60 1.62 0.92 0.80 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 0.00 134 Q 7.89 4.31 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.53 0.00 0.00 0.00 0.00 0.00 2.27 1.92 0.00 135 S 7.50 4.94 0.00 3.60 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 0.00 136 V 7.60 4.12 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 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.