NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7170 8.3549 109.7186 45.1979 0.0000 173.0961 2 F 4.1298 8.2945 121.6045 54.7760 39.4137 172.5334 3 P 4.3624 0.0000 0.0000 62.5244 32.6826 175.8756 4 I 4.2480 8.3877 124.5440 59.3101 36.2366 173.7361 5 P 4.2832 0.0000 0.0000 63.3257 31.2917 175.1217 6 D 5.0883 8.5140 120.0584 51.5961 43.3886 173.1992 7 P 4.6026 0.0000 0.0000 62.9842 31.7149 176.8288 8 Y 4.7508 8.6478 121.0543 56.7318 36.5011 174.4082 9 V 4.4585 7.3813 121.8946 59.6138 35.2164 174.7705 10 W 2.5400 7.9628 133.1657 56.4500 31.3553 174.9049 11 D 4.6090 6.4119 121.7896 50.5674 42.1985 174.3303 12 P 3.9386 0.0000 0.0000 65.4822 31.3437 178.2900 13 S 4.2075 7.8489 110.7440 59.5074 62.9417 174.5867 14 F 4.5780 7.2972 119.1499 57.1393 38.9266 175.9202 15 R 4.1533 7.5147 121.3665 56.6674 29.9294 176.8265 16 T 3.9898 8.9094 112.5422 61.3454 69.7323 175.6303 17 F 3.7685 7.3883 118.4834 58.5397 36.7648 174.9549 18 Y 4.7677 7.5795 119.4335 55.7867 38.9776 175.9035 19 S 4.1102 8.7627 119.9734 61.7286 62.2729 175.9010 20 I 3.7064 7.7378 118.8953 64.0226 37.6286 177.4396 21 I 3.9624 7.8014 120.4455 64.2561 37.1727 177.9024 22 D 4.4698 8.9081 120.2171 57.6135 40.1936 178.5563 23 D 4.1065 8.2826 119.5943 57.2932 40.6161 178.6362 24 E 4.1710 7.7697 119.4749 58.4140 29.4833 178.8766 25 H 4.7341 7.8568 117.9381 57.9427 28.9617 177.7012 26 K 3.9476 7.7182 120.1536 59.7888 31.5597 179.1979 27 T 3.8983 7.5253 109.1433 64.8722 68.6514 176.1273 28 L 4.0428 7.9141 123.1399 57.5266 42.0389 178.9552 29 F 4.2404 8.6122 118.1988 60.6412 38.9623 177.1314 30 N 4.7731 8.4764 116.2158 56.3019 38.7636 177.3051 31 G 3.5670 7.7577 106.2831 47.9467 0.0000 175.9605 32 I 3.7038 7.7240 122.3529 63.5613 37.0882 177.9988 33 F 4.0974 8.8987 122.1800 62.1689 39.1282 177.1580 34 H 4.4553 8.4887 114.9030 58.5255 28.6475 177.5979 35 L 3.7233 7.9676 121.8386 57.9655 41.6191 178.7620 36 A 4.2036 7.9274 119.8952 54.4159 18.4149 179.0972 37 I 4.1946 6.9558 116.3654 62.3706 37.9350 175.6621 38 D 4.4737 8.7807 121.0031 52.7486 42.6213 174.4515 39 D 4.8829 9.0196 124.2616 54.0429 41.0875 175.6100 40 N 4.5101 8.0148 116.7962 53.0938 38.8819 175.2336 41 A 3.9960 8.4006 120.6172 55.1330 18.2764 179.4905 42 D 4.2519 7.9429 117.1683 57.5028 41.1342 178.4660 43 N 4.1765 8.0160 116.5184 56.1534 38.5502 177.0909 44 L 3.6962 7.6612 121.8921 57.7552 42.1597 179.1909 45 G 3.4487 7.7585 105.5431 47.7587 0.0000 174.8837 46 E 3.8550 8.7116 123.2999 58.8415 29.5168 178.8489 47 L 3.7815 7.6889 119.8867 58.1706 42.0259 178.8960 48 R 3.7777 8.3544 118.4570 58.5260 29.7715 178.3247 49 R 3.9242 7.7024 118.7376 59.4608 30.2160 177.7628 50 C 4.0959 7.9255 118.4067 62.6537 31.5223 175.5318 51 T 3.8991 8.4099 117.8086 66.5514 68.1688 176.8155 52 G 3.7527 7.7280 109.7876 48.3010 0.0000 176.4381 53 K 4.0408 8.3854 126.3561 59.8360 31.7952 181.2214 54 H 4.4491 9.0838 121.0546 59.1722 29.8236 177.2817 55 F 4.3624 8.6403 119.9919 60.5670 38.6633 177.5202 56 L 4.0410 7.9911 119.4071 58.3389 42.0053 178.6806 57 N 4.3241 8.0724 116.0793 56.4176 38.4585 177.0353 58 E 3.8875 8.3377 120.6728 59.2147 29.7188 178.8755 59 Q 4.2652 8.3430 118.3943 58.6877 28.7411 178.8008 60 V 3.6254 8.1596 121.9359 66.7167 31.2764 178.8020 61 L 3.9514 7.7635 121.9637 59.5771 40.5804 180.9388 62 M 4.0057 7.8906 119.3454 58.5575 31.8634 178.9745 63 Q 3.7581 8.2463 117.8452 58.6720 28.5660 178.5911 64 A 4.0233 7.7649 121.0311 54.1204 18.2983 178.2611 65 S 4.5592 7.1704 111.2280 57.5670 64.0154 174.3850 66 Q 3.1742 8.1330 117.8930 56.2085 26.5427 174.4390 67 Y 4.2799 8.2334 118.3274 58.1925 39.5819 176.4543 68 Q 3.6381 8.4890 128.4610 58.6929 28.7207 177.0165 69 F 4.9165 5.7808 115.2745 57.4920 40.0472 177.5123 70 Y 4.3313 7.8042 124.1375 60.9267 38.6006 176.7029 71 D 4.2986 8.2572 119.5797 57.3241 41.1711 178.2899 72 E 3.9758 8.2537 117.5812 60.0171 29.4579 178.5871 73 H 4.1534 8.0305 118.3055 58.4554 29.8503 177.1017 74 K 3.8437 7.6187 121.2273 59.0013 31.7630 178.9668 75 K 4.0441 7.9896 118.1922 59.4915 32.1822 178.7409 76 E 4.2997 8.2461 118.7455 59.5738 29.4494 178.6377 77 H 3.4530 8.1687 115.9183 59.3294 28.9109 177.3250 78 E 4.1997 8.6190 122.2821 60.5578 29.2738 180.2828 *79 T 3.8941 8.0670 114.3745 66.1359 68.4648 178.3185 80 F 4.3641 8.2726 123.2676 61.1848 39.5066 177.2123 81 I 3.6478 8.2049 119.5416 64.4056 36.6183 177.9937 82 H 4.1242 8.6753 118.6538 59.1127 30.1775 176.7420 83 A 4.0479 8.1818 122.6656 55.3453 18.0023 179.6668 84 L 3.8818 7.8550 116.5819 57.7038 41.6681 178.5904 85 D 4.7320 7.6082 115.7076 54.3668 41.2232 176.5161 86 N 5.0047 7.8423 117.2101 51.2530 39.8140 174.7974 87 W 4.5670 8.4679 129.4778 58.9978 31.5060 176.2290 88 K 4.2382 6.6529 125.0654 54.0107 32.2887 176.4330 89 G 3.8397 6.3345 105.4649 46.4185 0.0000 176.0943 90 D 4.5531 6.1754 122.2773 54.2401 37.8947 177.4129 91 V 4.1078 7.7924 124.5549 65.4349 32.2200 178.3694 92 K 4.2215 8.0897 118.2315 59.2942 31.9481 179.1121 93 W 4.2643 8.7341 129.5820 59.8990 30.6939 177.9111 94 A 3.6070 8.5068 120.4202 54.8523 17.8533 179.8534 95 K 3.7952 8.4133 118.6951 58.9095 32.0829 179.7816 96 S 4.1430 8.1353 114.5060 61.2757 62.9181 176.1084 97 W 3.9258 7.9054 132.7412 60.1227 29.9621 177.2766 98 Y 4.1488 7.8919 118.8788 60.4924 38.2221 177.9887 99 V 3.4721 7.7776 119.2300 66.2038 31.7327 177.9151 100 N 3.7024 8.2246 116.4339 55.9700 38.1698 177.0238 101 H 3.4365 7.5652 120.1294 58.8758 29.8283 177.4168 102 I 3.6703 6.8010 122.4869 63.8526 36.7705 178.6093 103 K 2.4800 6.8491 117.8907 58.1026 31.6210 178.3409 104 T 4.2477 7.4540 108.1226 63.3734 70.2257 176.5155 105 I 3.7406 6.9361 122.2619 63.5242 37.1484 177.9266 106 D 3.9849 7.8363 119.9179 57.3654 40.2525 178.7771 107 F 4.2525 8.0012 117.7975 60.2411 38.6082 177.8981 108 K 4.2069 7.5141 118.2330 59.2038 32.2350 178.0596 109 Y 4.4645 7.7614 116.2422 56.6466 37.9446 175.5701 110 K 4.2137 7.2106 120.5131 58.4550 32.4128 177.2325 111 G 4.0458 8.9328 111.2703 45.9048 0.0000 173.8379 112 K 4.6970 8.8937 117.7467 55.8501 33.7018 176.3172 113 I 4.1488 7.7479 117.4565 60.9063 37.6283 175.0429 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 G 8.35 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 2 F 8.29 4.13 0.00 3.24 2.92 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 3 P 0.00 4.36 0.00 2.23 2.10 0.00 3.91 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 4 I 8.39 4.25 2.02 0.00 0.00 1.01 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 0.93 1.20 0.00 0.00 5 P 0.00 4.28 0.00 2.38 2.27 0.00 3.84 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 6 D 8.51 5.09 0.00 2.69 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 7 P 0.00 4.60 0.00 2.58 2.28 0.00 3.90 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 8 Y 8.65 4.75 0.00 3.11 3.16 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 9 V 7.38 4.46 2.05 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 0.82 0.00 0.00 0.95 0.00 0.00 10 W 7.96 2.54 0.00 2.62 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 11 D 6.41 4.61 0.00 2.71 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.94 0.00 2.11 2.17 0.00 3.46 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 13 S 7.85 4.21 0.00 3.77 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 14 F 7.30 4.58 0.00 2.14 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 15 R 7.51 4.15 0.00 1.21 0.86 0.00 3.15 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.80 0.00 16 T 8.91 3.99 4.66 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 0.00 0.00 0.00 1.61 0.00 0.00 17 F 7.39 3.77 0.00 3.04 3.11 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 18 Y 7.58 4.77 0.00 3.17 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 19 S 8.76 4.11 0.00 3.93 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 20 I 7.74 3.71 1.88 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 1.64 0.81 0.93 0.00 0.00 21 I 7.80 3.96 2.25 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 1.65 0.77 1.13 0.00 0.00 22 D 8.91 4.47 0.00 2.76 2.54 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 0.00 0.00 0.00 0.00 23 D 8.28 4.11 0.00 2.61 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 24 E 7.77 4.17 0.00 2.18 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 2.34 2.35 0.00 25 H 7.86 4.73 0.00 3.61 3.83 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.72 3.95 0.00 1.70 1.65 0.00 1.26 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.96 7.81 27 T 7.53 3.90 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 1.21 0.00 0.00 28 L 7.91 4.04 0.00 1.93 1.70 0.80 0.33 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 29 F 8.61 4.24 0.00 3.47 3.14 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 0.00 0.00 0.00 30 N 8.48 4.77 0.00 2.90 3.05 0.00 0.00 7.15 7.49 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 31 G 7.76 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.72 3.70 2.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.95 0.51 0.00 0.00 33 F 8.90 4.10 0.00 3.60 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 34 H 8.49 4.46 0.00 3.39 3.42 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.97 3.72 0.00 1.89 1.82 0.69 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.93 4.20 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 37 I 6.96 4.19 1.94 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.37 0.92 0.00 0.00 38 D 8.78 4.47 0.00 2.58 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.02 4.88 0.00 2.92 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 40 N 8.01 4.51 0.00 3.00 3.12 0.00 0.00 6.88 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 41 A 8.40 4.00 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 42 D 7.94 4.25 0.00 2.71 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 43 N 8.02 4.18 0.00 2.75 2.83 0.00 0.00 6.75 6.74 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 44 L 7.66 3.70 0.00 1.44 1.67 0.13 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.76 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 0.00 0.00 0.00 46 E 8.71 3.85 0.00 2.04 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 0.00 2.26 2.33 0.00 47 L 7.69 3.78 0.00 1.65 1.67 0.76 0.57 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 48 R 8.35 3.78 0.00 1.73 1.96 0.00 3.01 0.00 0.00 2.87 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 49 R 7.70 3.92 0.00 1.94 2.02 0.00 3.11 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 50 C 7.93 4.10 0.00 2.98 2.83 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 51 T 8.41 3.90 3.99 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 0.53 0.00 0.00 52 G 7.73 3.75 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 0.00 0.00 0.00 53 K 8.39 4.04 0.00 1.74 1.83 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.32 7.81 54 H 9.08 4.45 0.00 3.18 3.51 0.00 5.76 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 55 F 8.64 4.36 0.00 3.03 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 56 L 7.99 4.04 0.00 1.99 1.71 1.00 0.52 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 57 N 8.07 4.32 0.00 3.02 2.86 0.00 0.00 6.72 6.94 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 58 E 8.34 3.89 0.00 2.15 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 0.00 2.06 2.29 0.00 59 Q 8.34 4.27 0.00 2.46 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.70 0.00 60 V 8.16 3.63 2.26 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 0.96 0.00 0.00 1.03 0.00 0.00 61 L 7.76 3.95 0.00 1.72 1.66 0.92 0.97 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 62 M 7.89 4.01 0.00 2.38 2.50 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.08 0.00 63 Q 8.25 3.76 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 64 A 7.76 4.02 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 65 S 7.17 4.56 0.00 3.83 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 66 Q 8.13 3.17 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 67 Y 8.23 4.28 0.00 3.07 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 68 Q 8.49 3.64 0.00 1.59 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.33 0.00 0.00 0.00 0.00 0.00 1.34 1.97 0.00 69 F 5.78 4.92 0.00 2.80 3.02 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 70 Y 7.80 4.33 0.00 3.19 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.26 4.30 0.00 2.79 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 72 E 8.25 3.98 0.00 2.21 2.28 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 2.71 2.42 0.00 73 H 8.03 4.15 0.00 3.56 3.31 0.00 5.60 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.62 3.84 0.00 1.33 1.66 0.00 1.63 0.00 0.00 1.55 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.40 7.81 75 K 7.99 4.04 0.00 1.94 1.92 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.79 1.66 7.81 76 E 8.25 4.30 0.00 2.20 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 2.50 2.42 0.00 77 H 8.17 3.45 0.00 3.22 3.02 0.00 5.65 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 78 E 8.62 4.20 0.00 2.28 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 0.00 2.42 2.63 0.00 *79 T 8.07 3.89 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 80 F 8.27 4.36 0.00 2.01 3.40 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 81 I 8.20 3.65 2.14 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.22 0.97 0.00 0.00 82 H 8.68 4.12 0.00 3.10 3.61 0.00 5.96 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.18 4.05 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 0.00 0.00 0.00 0.00 0.00 84 L 7.86 3.88 0.00 1.27 1.37 0.23 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.61 4.73 0.00 2.79 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.84 5.00 0.00 2.60 2.62 0.00 0.00 6.82 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 87 W 8.47 4.57 0.00 3.37 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 88 K 6.65 4.24 0.00 1.66 1.67 0.00 1.99 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.00 7.81 89 G 6.33 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 90 D 6.18 4.55 0.00 2.35 2.32 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 91 V 7.79 4.11 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 0.80 0.00 0.00 0.93 0.00 0.00 92 K 8.09 4.22 0.00 1.88 1.96 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.53 7.81 93 W 8.73 4.26 0.00 3.45 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.51 3.61 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.41 3.80 0.00 1.99 1.87 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.67 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 1.18 7.81 96 S 8.14 4.14 0.00 4.11 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 0.00 97 W 7.91 3.93 0.00 2.53 2.36 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 98 Y 7.89 4.15 0.00 2.99 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 99 V 7.78 3.47 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 1.01 0.00 0.00 1.18 0.00 0.00 100 N 8.22 3.70 0.00 2.53 2.67 0.00 0.00 6.72 7.70 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 0.00 101 H 7.57 3.44 0.00 1.79 2.87 0.00 5.78 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 0.00 102 I 6.80 3.67 1.56 0.00 0.00 0.50 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 0.82 0.79 0.00 0.00 103 K 6.85 2.48 0.00 0.79 0.74 0.00 0.69 0.00 0.00 1.03 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.37 0.39 7.81 104 T 7.45 4.25 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 1.28 0.00 0.00 105 I 6.94 3.74 1.29 0.00 0.00 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 1.25 0.65 0.41 0.00 0.00 106 D 7.84 3.98 0.00 2.65 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 0.00 107 F 8.00 4.25 0.00 2.99 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 0.00 108 K 7.51 4.21 0.00 2.00 2.10 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.44 1.66 7.81 109 Y 7.76 4.46 0.00 2.63 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 0.00 0.00 0.00 110 K 7.21 4.21 0.00 1.90 1.84 0.00 1.97 0.00 0.00 1.21 0.00 0.00 2.41 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.39 7.81 111 G 8.93 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 0.00 0.00 0.00 112 K 8.89 4.70 0.00 2.16 2.17 0.00 2.03 0.00 0.00 2.25 0.00 0.00 3.10 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.55 1.54 7.81 113 I 7.75 4.15 1.56 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 -0.12 0.65 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.