NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3575 0.0000 0.0000 62.3484 32.7457 175.3837 3 R 4.1290 8.4397 123.5216 54.4815 31.1835 174.2668 4 A 4.5614 8.9487 128.2449 49.4883 20.3927 175.2861 5 K 3.9714 8.4564 119.8568 57.6149 32.6203 177.8048 6 T 3.9063 8.7822 118.4886 64.8477 69.3035 175.3274 7 G 3.8486 7.8910 109.5357 46.5029 0.0000 174.2490 8 V 3.7312 8.3298 117.4778 65.1968 32.5632 178.9233 9 V 3.5217 7.4378 119.6876 66.1455 31.1626 177.8997 10 R 3.8261 7.9248 117.4623 59.5777 30.1529 178.0086 11 R 3.9517 8.1084 117.9861 59.7722 29.8876 178.4733 12 R 3.9553 8.0117 117.5647 59.1022 29.9470 179.1013 13 K 3.9603 7.8818 118.0648 59.8691 32.0024 178.9816 14 H 4.2656 8.6630 117.1979 58.6130 28.7919 177.8218 15 K 3.9993 8.2567 120.5978 59.9179 32.1768 178.7412 16 K 3.8286 8.0167 120.7087 59.6306 32.1389 178.8342 17 I 3.6956 7.3930 119.9062 64.3174 36.8617 178.2063 18 L 3.9876 8.3106 120.1645 57.9570 42.0827 178.9807 19 K 4.0832 8.1260 118.6705 59.3766 31.7881 179.2343 20 L 3.9498 7.2160 117.2753 57.3032 41.3377 178.5441 21 A 3.8638 7.6475 118.4201 50.9283 19.0329 177.2480 22 K 3.7928 7.0163 118.0406 57.5451 32.5430 176.8829 23 G 4.1173 8.8266 110.6012 46.1572 0.0000 175.7814 24 Y 4.9617 7.0458 119.6901 57.6656 38.2370 174.6870 25 W 4.8113 8.9014 132.7896 57.3233 34.7647 176.7946 26 G 3.8128 7.6884 111.5239 46.5134 0.0000 174.8727 27 L 4.0898 8.4717 118.1751 57.3201 42.1208 178.9655 28 R 4.0557 8.1505 118.9139 58.3675 30.0731 177.3894 29 S 4.6998 8.1495 110.8489 58.0875 63.3596 174.4721 30 K 4.6064 8.4411 116.7671 56.3902 34.2604 175.7872 31 S 4.3774 7.4933 113.0535 57.8128 65.2237 174.5018 *33 R 4.3069 8.4016 114.5650 56.3075 31.2217 177.4448 34 K 3.9488 7.7792 118.3383 59.5093 31.8796 178.6723 35 A 4.7437 8.2494 122.6544 54.5765 18.2655 179.3519 36 R 3.6172 7.9005 117.1125 59.7518 30.0043 178.2363 37 E 4.3644 8.3850 117.5329 60.2286 29.4719 179.4973 38 T 3.8326 7.9143 115.3566 66.5724 68.2710 176.7068 39 L 3.9925 8.2708 121.2989 57.7695 41.6248 179.3186 40 F 4.2263 7.7124 117.4799 60.6091 38.8116 177.6707 41 A 3.6523 7.8169 120.0031 55.0812 18.1855 179.5582 42 A 4.1139 8.1349 119.5900 55.1173 18.5258 179.9451 43 G 3.5993 9.0665 105.3861 48.3207 0.0000 175.7685 44 N 4.6158 8.3957 119.3477 55.2672 38.4890 177.3122 45 Y 4.4962 8.1728 118.8031 60.9746 38.1897 177.6658 46 A 4.1337 8.6821 122.2100 55.3902 18.2529 179.1013 47 Y 4.0255 8.1307 117.4053 60.8459 38.9277 178.0719 48 A 3.9147 8.0403 121.4761 55.3382 18.6693 178.8315 49 H 4.4499 8.6999 113.5965 57.4094 27.9873 177.7072 50 R 3.9437 7.6957 121.4427 59.1650 30.0191 178.3884 51 K 4.0644 7.5622 118.1558 59.2915 31.9969 179.6210 52 R 3.9216 7.8604 118.5604 59.1327 29.4330 178.8731 53 R 4.4705 7.8282 119.6421 58.6845 29.8509 178.8255 54 K 3.9435 7.4957 115.0249 59.6033 32.2774 179.3727 55 R 3.8608 7.4688 117.5310 59.3470 29.8092 178.6973 56 D 4.2219 8.5831 118.7986 57.6817 40.8692 179.1022 57 F 3.3657 7.8333 116.9331 59.5805 38.5563 177.8693 58 R 3.7596 7.8110 118.4088 59.7604 29.9804 179.2123 59 R 3.8478 7.6719 116.7733 58.6386 29.9271 178.6863 60 L 3.7284 7.3234 120.4449 58.0873 41.8502 179.2772 61 W 4.5016 7.8262 118.6863 59.8117 29.0227 178.5069 62 I 3.6670 7.5352 119.8088 64.5605 36.4454 178.6357 63 V 3.6121 7.8757 118.9215 65.7952 31.3365 178.3336 64 R 3.9106 7.6110 116.4495 59.3266 30.0011 178.8896 65 I 3.7734 8.5727 120.0216 64.5652 37.2053 177.9316 66 N 4.5417 8.9794 117.7108 56.9620 38.6458 176.8203 67 A 4.1124 8.1443 120.4665 54.8080 18.6317 179.2394 68 A 4.1119 8.0007 120.1081 55.4676 18.5947 179.5813 69 C 4.5506 8.8436 112.2868 60.9185 29.6793 175.7815 70 R 4.1971 8.0143 122.2073 58.5394 29.6748 177.7240 71 Q 4.1317 8.0319 119.1630 59.3636 29.1248 177.3071 72 H 4.4611 8.0913 116.2443 57.3869 30.2774 175.3900 73 G 4.2983 8.0319 110.6554 44.3468 0.0000 172.7587 74 L 4.3915 7.2014 118.1726 54.0725 43.1234 174.7711 75 N 4.6687 8.1345 117.5644 53.0748 40.5366 175.8893 76 Y 4.1865 8.4316 122.3405 61.0456 38.9337 178.6794 77 S 4.1691 8.3688 114.7626 61.8075 62.9207 176.5358 78 T 3.8926 7.8212 118.8113 66.3554 68.1712 175.9837 79 F 4.0293 8.6388 122.9458 61.5685 39.4195 177.0987 80 I 3.5755 7.9273 119.3805 64.6242 36.9254 177.7603 81 H 4.2315 8.3226 119.1562 59.3743 29.5035 177.4192 82 G 3.5237 7.9169 107.1663 47.8138 0.0000 175.7428 83 L 3.9350 7.7774 121.6190 57.3617 41.4643 179.5362 84 K 3.9824 8.3477 118.7887 58.9769 32.4619 178.7481 85 K 4.0940 7.8453 118.6979 59.1026 32.1044 179.0179 86 A 4.1462 8.4230 119.8634 52.6993 18.9212 176.9152 87 G 3.6736 7.6824 103.7037 47.0446 0.0000 175.6460 88 I 4.3814 7.4493 112.6124 58.1469 37.4618 175.8257 89 E 4.0775 8.4240 127.7005 58.0757 29.8989 177.8903 90 V 3.6522 7.1587 117.6982 66.0538 31.1702 177.7097 91 D 4.6113 7.7358 123.6831 52.0803 39.2004 174.3089 92 R 4.0704 7.8245 119.2584 55.3737 30.2518 178.7234 93 K 3.8489 8.9111 121.2129 59.6976 31.7861 178.7463 94 N 3.1400 7.4634 116.5197 55.8718 38.6252 176.1654 95 L 4.4298 7.4611 117.5624 54.6516 42.1309 178.3152 96 A 4.4157 7.6952 123.3870 53.0646 17.8330 178.6925 97 D 4.4425 7.6797 117.8284 54.7122 39.2863 178.0233 98 L 4.2532 8.1781 122.6184 57.0800 41.3712 178.7813 99 A 3.4571 7.6280 120.5736 54.5927 18.4439 178.5107 100 V 3.8244 7.9801 114.6281 64.7122 32.2238 176.3239 101 R 4.2356 7.4799 120.6953 55.6451 30.5276 175.2108 102 E 4.0657 8.7887 124.4989 56.5384 26.3333 173.5569 103 P 4.4012 0.0000 0.0000 65.8588 31.7716 178.6646 104 Q 4.0680 8.1573 117.5234 58.7962 28.6337 178.7379 105 V 3.5934 7.6654 118.9954 66.1237 31.6151 177.8303 106 F 4.1407 8.4024 119.6136 61.1242 39.1281 176.7189 107 A 3.7857 8.5682 120.8793 55.2490 18.2138 179.3332 108 E 3.7945 8.3209 117.7057 59.2312 29.7347 178.9886 109 L 3.8793 7.7537 119.3381 57.4131 41.5336 179.6257 110 V 2.8220 7.2046 118.3620 65.6961 31.4965 177.8838 111 E 3.8656 8.0533 118.5262 59.4393 29.1676 179.6020 112 R 3.8299 8.0895 117.9341 59.2326 30.0077 179.0006 113 A 3.8874 7.5604 120.0193 54.7737 18.0960 179.7822 114 K 3.8095 8.1597 117.2696 59.7712 31.9802 179.4573 115 A 3.9106 7.6529 118.9577 54.8536 18.4048 179.1663 116 A 4.0234 8.0803 119.0638 55.0953 18.4065 179.5423 117 Q 4.0928 7.7928 117.7449 57.5999 29.3755 176.1984 118 G 3.7637 7.2886 111.4722 46.4622 0.0000 172.5764 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 P 0.00 4.36 0.00 2.06 2.06 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 3 R 8.44 4.13 0.00 1.84 1.81 0.00 3.17 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 4 A 8.95 4.56 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 5 K 8.46 3.97 0.00 1.75 1.79 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.43 7.81 6 T 8.78 3.91 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 1.22 0.00 0.00 7 G 7.89 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 8 V 8.33 3.73 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 0.95 0.00 0.00 0.93 0.00 0.00 9 V 7.44 3.52 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 0.93 0.00 0.00 0.95 0.00 0.00 10 R 7.92 3.83 0.00 1.94 1.94 0.00 3.31 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.73 0.00 11 R 8.11 3.95 0.00 1.93 2.08 0.00 3.23 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 12 R 8.01 3.96 0.00 2.09 1.95 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 13 K 7.88 3.96 0.00 1.96 1.78 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.68 7.81 14 H 8.66 4.27 0.00 3.22 3.32 0.00 5.83 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.26 4.00 0.00 1.99 2.09 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.46 7.81 16 K 8.02 3.83 0.00 2.01 1.99 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.48 7.81 17 I 7.39 3.70 1.96 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 1.34 0.74 0.88 0.00 0.00 18 L 8.31 3.99 0.00 1.68 1.69 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.13 4.08 0.00 1.95 1.80 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.80 7.81 20 L 7.22 3.95 0.00 1.92 1.68 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.65 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 22 K 7.02 3.79 0.00 1.84 1.68 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.48 7.81 23 G 8.83 4.12 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 0.00 24 Y 7.05 4.96 0.00 3.05 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 25 W 8.90 4.81 0.00 3.45 2.89 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 26 G 7.69 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.47 4.09 0.00 1.78 1.77 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.15 4.06 0.00 2.02 2.40 0.00 3.06 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 29 S 8.15 4.70 0.00 4.07 4.04 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 0.00 0.00 0.00 30 K 8.44 4.61 0.00 1.70 1.79 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.46 7.81 31 S 7.49 4.38 0.00 3.99 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 *33 R 8.40 4.31 0.00 2.11 2.32 0.00 3.03 0.00 0.00 3.37 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 34 K 7.78 3.95 0.00 2.00 1.98 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.66 7.81 35 A 8.25 4.74 1.51 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 0.00 0.00 36 R 7.90 3.62 0.00 1.92 2.19 0.00 3.20 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.52 0.00 37 E 8.39 4.36 0.00 2.31 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 0.00 2.53 2.53 0.00 38 T 7.91 3.83 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 39 L 8.27 3.99 0.00 1.46 1.52 0.82 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.71 4.23 0.00 3.30 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 3.65 1.03 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 0.00 0.00 42 A 8.13 4.11 1.45 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 43 G 9.07 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 44 N 8.40 4.62 0.00 2.73 2.95 0.00 0.00 7.16 7.10 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 45 Y 8.17 4.50 0.00 3.16 3.04 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 0.00 0.00 0.00 46 A 8.68 4.13 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.13 4.03 0.00 3.16 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 48 A 8.04 3.91 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 49 H 8.70 4.45 0.00 3.23 3.31 0.00 5.62 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 50 R 7.70 3.94 0.00 2.15 1.84 0.00 3.11 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 51 K 7.56 4.06 0.00 1.79 1.73 0.00 1.62 0.00 0.00 1.46 0.00 0.00 2.83 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.12 1.37 7.81 52 R 7.86 3.92 0.00 1.91 1.97 0.00 3.27 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 53 R 7.83 4.47 0.00 2.12 2.05 0.00 3.13 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 54 K 7.50 3.94 0.00 2.02 1.83 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.51 7.81 55 R 7.47 3.86 0.00 2.06 1.94 0.00 3.10 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 56 D 8.58 4.22 0.00 2.82 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 57 F 7.83 3.37 0.00 2.52 1.56 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 58 R 7.81 3.76 0.00 1.91 1.98 0.00 3.09 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 59 R 7.67 3.85 0.00 1.73 1.84 0.00 3.04 0.00 0.00 3.01 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 60 L 7.32 3.73 0.00 1.39 1.08 0.11 1.10 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 61 W 7.83 4.50 0.00 3.57 3.22 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 62 I 7.54 3.67 1.86 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.80 0.17 0.00 0.00 63 V 7.88 3.61 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 1.08 0.00 0.00 0.88 0.00 0.00 64 R 7.61 3.91 0.00 2.16 1.98 0.00 3.37 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 65 I 8.57 3.77 2.29 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.24 0.95 0.00 0.00 66 N 8.98 4.54 0.00 2.91 2.88 0.00 0.00 7.21 8.07 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 67 A 8.14 4.11 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 68 A 8.00 4.11 1.29 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 0.00 0.00 0.00 69 C 8.84 4.55 0.00 3.37 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 70 R 8.01 4.20 0.00 2.14 2.07 0.00 3.15 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 71 Q 8.03 4.13 0.00 2.11 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 72 H 8.09 4.46 0.00 3.36 3.33 0.00 5.73 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 73 G 8.03 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 74 L 7.20 4.39 0.00 1.79 1.71 0.74 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.13 4.67 0.00 2.91 2.88 0.00 0.00 6.53 7.48 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 76 Y 8.43 4.19 0.00 3.35 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.17 0.00 4.16 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 0.00 78 T 7.82 3.89 4.54 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 1.22 0.00 0.00 79 F 8.64 4.03 0.00 3.13 2.90 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 0.00 0.00 0.00 0.00 80 I 7.93 3.58 1.63 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.11 0.84 0.00 0.00 81 H 8.32 4.23 0.00 3.30 3.57 0.00 5.79 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 82 G 7.92 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 83 L 7.78 3.94 0.00 1.87 1.73 1.21 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.35 3.98 0.00 1.75 1.96 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.52 7.81 85 K 7.85 4.09 0.00 1.96 1.74 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.48 7.81 86 A 8.42 4.15 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 87 G 7.68 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 88 I 7.45 4.38 1.86 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 1.32 0.94 0.90 0.00 0.00 89 E 8.42 4.08 0.00 1.94 2.00 0.00 0.00 0.00 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 2.29 0.00 90 V 7.16 3.65 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 0.76 0.00 0.00 0.92 0.00 0.00 91 D 7.74 4.61 0.00 2.73 2.57 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 92 R 7.82 4.07 0.00 1.98 2.00 0.00 2.95 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 93 K 8.91 3.85 0.00 2.04 2.17 0.00 1.85 0.00 0.00 1.98 0.00 0.00 3.09 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.66 1.60 7.81 94 N 7.46 3.14 0.00 1.44 2.12 0.00 0.00 7.26 6.66 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 95 L 7.46 4.43 0.00 1.56 1.62 0.85 0.70 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 96 A 7.70 4.42 1.51 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 0.00 0.00 97 D 7.68 4.44 0.00 2.81 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 98 L 8.18 4.25 0.00 2.02 2.01 1.02 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.63 3.46 0.59 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 0.00 100 V 7.98 3.82 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 0.80 0.00 0.00 0.89 0.00 0.00 101 R 7.48 4.24 0.00 2.05 1.86 0.00 3.32 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 102 E 8.79 4.07 0.00 2.19 2.01 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 2.31 2.24 0.00 103 P 0.00 4.40 0.00 2.33 2.34 0.00 3.73 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 2.11 2.08 0.00 104 Q 8.16 4.07 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 105 V 7.67 3.59 2.33 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 1.04 0.00 0.00 0.96 0.00 0.00 106 F 8.40 4.14 0.00 3.23 3.30 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 0.00 107 A 8.57 3.79 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.32 3.79 0.00 2.18 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 2.26 2.32 0.00 109 L 7.75 3.88 0.00 1.73 1.62 0.96 0.81 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 0.00 110 V 7.20 2.82 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 0.71 0.00 0.00 0.38 0.00 0.00 111 E 8.05 3.87 0.00 2.06 1.91 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 2.41 2.43 0.00 112 R 8.09 3.83 0.00 1.89 1.91 0.00 3.25 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 1.72 1.74 0.00 113 A 7.56 3.89 1.07 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 0.00 114 K 8.16 3.81 0.00 1.80 1.80 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.49 7.81 115 A 7.65 3.91 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 0.00 116 A 8.08 4.02 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 0.00 117 Q 7.79 4.09 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 118 G 7.29 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 * Residues marked with a * may have inaccurate shift predictions.