NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 G 3.8829 8.3549 109.7353 45.5760 0.0000 174.9612 15 I 3.9879 8.3587 127.2281 59.3574 37.8530 173.3742 16 G 3.9980 8.7275 115.0159 44.2695 0.0000 172.2756 17 S 4.8455 8.3815 118.4190 56.8186 64.4632 172.6074 18 W 5.8642 7.8460 121.1231 55.4527 31.3766 174.0742 19 V 4.4119 9.0917 121.0406 61.4403 34.3116 173.4676 20 L 5.1147 9.0625 130.2211 54.1365 43.5486 175.4828 21 H 4.5875 8.9547 126.7120 55.0809 31.8636 174.9224 *23 E 4.2382 8.6516 119.4248 55.3073 30.9163 176.1539 24 S 4.5192 8.1026 110.8121 57.3100 65.0446 175.1919 25 G 3.9141 8.6858 109.0192 45.1997 0.0000 172.9893 26 R 4.2257 8.1589 121.4790 56.2541 31.1872 175.1036 27 L 5.1683 8.1694 127.0365 53.2533 45.2732 175.1665 28 E 4.8548 9.0837 124.6375 54.3824 32.6492 174.9983 29 W 5.5302 8.7228 123.0725 54.6762 32.5725 175.0110 30 S 4.1689 9.1673 120.0659 58.9677 62.5911 175.1328 31 Q 4.1371 9.1877 125.6355 59.4197 28.7684 178.7828 32 A 3.9989 8.0636 121.3534 55.1385 18.3582 179.5831 33 V 3.3530 7.6966 116.5833 66.2726 31.4262 177.8321 34 H 4.2916 8.0771 116.7212 58.5376 28.4158 177.0114 35 D 4.4305 7.8883 119.0710 57.7532 40.7280 179.0303 36 I 3.8083 7.3472 118.5671 64.3113 37.2598 178.0812 37 F 4.1400 8.3853 116.6767 57.7594 38.9140 176.8121 38 G 3.8377 8.3208 106.9048 45.9974 0.0000 173.5649 39 T 4.2696 7.6162 110.4345 59.9673 70.7573 172.8623 40 D 4.9752 8.2996 120.4698 51.5089 40.6741 176.4766 41 S 3.6938 8.9355 120.7493 61.7282 62.9071 176.9530 42 A 4.2511 8.0401 120.5394 54.3858 18.5106 178.0697 43 T 4.3309 7.5685 109.1026 64.6337 71.0043 174.1400 44 F 4.1051 8.7782 124.3152 57.9388 38.9460 173.8638 45 D 4.3592 7.9905 128.9758 53.5579 41.6886 175.1057 46 A 3.9618 8.1095 128.3466 51.0310 20.5261 175.9373 47 T 4.7313 7.7704 117.7490 60.9357 73.5174 174.9674 48 E 3.8932 8.8563 122.9654 59.7641 29.3954 178.6685 49 D 4.5595 8.1816 116.8900 57.4163 41.2453 178.2620 50 A 4.1644 7.9380 120.6887 55.2623 18.5562 178.5205 51 Y 4.2254 8.4812 118.4645 61.2530 38.9817 178.4847 52 F 4.0405 8.2884 117.1112 59.4197 38.7175 177.1223 53 Q 4.2925 7.9485 117.3961 58.0489 28.8591 177.3254 54 R 4.1267 7.8535 117.9506 58.2200 30.5251 177.2671 55 V 3.6301 6.8476 117.3799 62.1366 32.1922 175.1170 56 H 4.0149 8.8623 126.0803 56.3075 30.0190 174.0096 57 P 4.3703 0.0000 0.0000 65.7810 30.9756 178.4068 58 D 4.3650 8.3569 115.7354 56.1960 41.1575 177.0091 59 D 4.8582 8.4526 118.8719 54.4850 42.3910 178.0389 60 R 4.0254 7.5004 119.4982 59.7740 30.0225 178.2515 61 A 4.0024 7.9256 119.6787 55.0584 18.4804 179.4322 62 R 3.8989 7.9508 116.8742 59.5560 30.2615 178.7954 63 V 3.7211 8.0868 118.1781 65.9755 31.5354 178.2941 64 R 4.1225 8.0386 117.7570 59.4116 29.8383 179.2846 65 R 4.0235 7.9923 117.4215 59.0778 30.0196 179.0565 66 E 4.0511 8.5375 118.6698 59.3244 29.4311 178.9032 67 L 4.0562 8.1129 118.9991 58.2738 41.7889 179.2835 68 D 4.4162 8.3193 118.2998 57.5332 40.5311 178.9482 69 R 3.8968 8.4024 119.3860 59.9926 29.8601 178.2275 70 H 4.3129 8.2495 114.4692 57.9139 28.8623 177.0323 71 V 4.1318 7.9963 118.9996 63.4999 32.1270 176.2686 72 L 4.5613 8.5800 116.6209 54.5490 43.5428 176.6690 73 G 3.9150 7.4288 107.1203 43.7077 0.0000 172.3978 74 D 4.5377 8.5845 118.9134 54.5858 40.9960 176.2676 75 R 4.4797 8.2676 126.8320 53.0667 29.9187 173.5989 76 P 5.2394 0.0000 0.0000 61.6849 32.5337 174.6279 77 F 4.7030 7.3531 114.7281 57.1940 40.1103 172.2626 78 D 5.4216 8.2352 118.9018 52.5995 44.2054 175.4321 79 V 4.5198 8.6933 121.3863 61.3220 34.7680 173.9323 80 E 5.0961 8.8570 127.1553 55.3260 31.3806 174.6665 81 Y 4.8482 7.7553 119.2903 56.4090 41.7851 173.3743 82 R 5.1275 8.7333 119.5780 55.2306 32.0848 175.6821 83 I 4.6577 8.9860 115.7105 59.1149 41.5410 174.4014 84 V 4.6557 8.1144 121.5757 60.7919 33.1516 175.1644 85 R 4.1318 9.1878 129.1192 55.6723 30.5987 175.7123 86 P 4.3339 0.0000 0.0000 65.3710 31.4195 176.9600 87 D 4.6477 8.0722 116.3151 53.4178 39.3135 177.7105 88 G 3.9498 7.9349 107.7209 46.1661 0.0000 174.5422 89 Q 4.1037 7.8222 122.3571 56.2186 30.3302 174.9742 90 V 4.8688 8.3707 125.4518 61.3131 33.6124 174.5862 91 R 4.6920 8.6696 126.9566 54.4235 33.0072 175.0724 92 E 4.5822 8.8559 123.4502 55.6377 30.1878 175.9819 93 L 4.8071 8.6231 124.9890 52.7289 45.3814 175.1169 94 L 4.7112 8.7533 122.9237 53.2268 44.7548 174.5018 95 E 4.8912 9.3126 127.8803 54.4787 32.0920 174.2557 96 R 4.7073 8.3370 127.9333 54.3663 31.8157 174.3803 97 N 4.7038 8.5889 124.6772 51.6220 40.7976 173.7249 98 H 5.0727 8.3694 120.7396 53.8653 32.0764 173.0296 99 I 4.7826 8.2787 122.0400 59.6302 39.3126 175.0881 100 Q 4.5593 9.0874 128.0454 54.6520 30.8748 174.1133 101 R 5.1635 8.5340 125.5745 54.5261 32.6884 176.7764 102 Q 4.3155 8.4839 120.5547 54.7005 30.5378 176.4252 103 A 4.0135 8.7796 120.3189 55.7793 18.0803 179.2738 104 S 4.1477 8.0881 109.7156 60.5815 62.9180 175.7751 105 G 4.1043 7.9924 106.8487 45.2684 0.0000 174.0703 106 Q 4.1455 7.9068 119.3889 55.1604 29.4660 175.6683 107 V 3.9110 8.2940 122.0589 63.5092 32.1962 174.9110 108 D 4.7728 9.4714 128.3131 56.6718 41.8547 175.7037 109 H 4.9383 7.8128 111.2053 54.8699 31.6260 172.1525 110 L 5.4571 8.5420 118.9720 53.3171 44.5579 175.4076 111 W 5.0530 8.0933 117.0310 55.3754 32.0152 174.6317 112 G 3.8216 8.1009 105.0953 45.9024 0.0000 171.3011 113 T 4.8983 7.6225 109.4470 59.8551 72.4894 173.6046 114 V 4.8480 8.1388 120.7399 60.2221 34.3652 174.4222 115 I 4.4629 9.0052 126.6662 59.2781 39.6066 175.1890 116 D 4.6604 8.5832 126.6125 54.3532 41.8997 175.9897 *118 T 4.5896 8.4274 117.0507 62.9628 70.7336 174.2392 119 E 4.0625 8.0684 123.4996 56.2940 29.4160 176.9777 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 14 G 8.35 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 0.00 0.00 0.00 15 I 8.36 3.99 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 1.34 0.73 0.92 0.00 0.00 16 G 8.73 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.38 4.85 0.00 3.89 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 18 W 7.85 5.86 0.00 3.70 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 19 V 9.09 4.41 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 0.96 0.00 0.00 0.90 0.00 0.00 20 L 9.06 5.11 0.00 1.83 1.78 1.00 1.08 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 21 H 8.95 4.59 0.00 3.25 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *23 E 8.65 4.24 0.00 1.92 1.98 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 2.20 2.31 0.00 24 S 8.10 4.52 0.00 4.03 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 25 G 8.69 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 0.00 0.00 0.00 26 R 8.16 4.23 0.00 1.89 1.82 0.00 2.98 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 27 L 8.17 5.17 0.00 1.38 1.18 1.03 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.08 4.85 0.00 2.19 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 2.24 2.27 0.00 29 W 8.72 5.53 0.00 3.10 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 30 S 9.17 4.17 0.00 4.07 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 31 Q 9.19 4.14 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.47 2.69 0.00 32 A 8.06 4.00 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 33 V 7.70 3.35 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 -0.59 0.00 0.00 0.81 0.00 0.00 34 H 8.08 4.29 0.00 3.51 3.60 0.00 6.17 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 35 D 7.89 4.43 0.00 2.84 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 36 I 7.35 3.81 2.05 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.59 0.63 0.00 0.00 37 F 8.39 4.14 0.00 2.80 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 38 G 8.32 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 39 T 7.62 4.27 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 0.38 0.00 0.00 40 D 8.30 4.98 0.00 2.93 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 41 S 8.94 3.69 0.00 3.89 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 42 A 8.04 4.25 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 43 T 7.57 4.33 4.91 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 1.28 0.00 0.00 44 F 8.78 4.11 0.00 3.00 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 45 D 7.99 4.36 0.00 2.55 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 0.00 0.00 0.00 46 A 8.11 3.96 0.52 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 47 T 7.77 4.73 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 1.20 0.00 0.00 48 E 8.86 3.89 0.00 2.11 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 0.00 2.76 2.46 0.00 49 D 8.18 4.56 0.00 2.72 2.77 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 50 A 7.94 4.16 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 51 Y 8.48 4.23 0.00 2.88 3.13 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 52 F 8.29 4.04 0.00 3.31 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 53 Q 7.95 4.29 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.02 0.00 0.00 0.00 0.00 0.00 2.42 2.69 0.00 54 R 7.85 4.13 0.00 2.27 2.23 0.00 3.44 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.14 0.00 55 V 6.85 3.63 2.21 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 0.77 0.00 0.00 0.39 0.00 0.00 56 H 8.86 4.01 0.00 3.17 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.37 0.00 2.13 2.05 0.00 2.95 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 58 D 8.36 4.36 0.00 2.70 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 59 D 8.45 4.86 0.00 2.82 2.71 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 60 R 7.50 4.03 0.00 1.78 1.96 0.00 3.10 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 61 A 7.93 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 62 R 7.95 3.90 0.00 1.92 2.11 0.00 3.34 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.72 0.00 63 V 8.09 3.72 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 1.23 0.00 0.00 1.07 0.00 0.00 64 R 8.04 4.12 0.00 1.97 1.94 0.00 2.90 0.00 0.00 2.91 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.27 0.00 65 R 7.99 4.02 0.00 2.03 2.01 0.00 3.14 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 66 E 8.54 4.05 0.00 2.10 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 0.00 2.40 2.64 0.00 67 L 8.11 4.06 0.00 2.16 1.85 1.01 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.32 4.42 0.00 2.87 2.77 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 69 R 8.40 3.90 0.00 2.09 1.93 0.00 3.09 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 1.59 1.68 0.00 70 H 8.25 4.31 0.00 3.33 3.40 0.00 5.89 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 71 V 8.00 4.13 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 0.91 0.00 0.00 1.05 0.00 0.00 72 L 8.58 4.56 0.00 1.83 1.70 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.43 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 0.00 0.00 0.00 74 D 8.58 4.54 0.00 2.72 2.67 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 75 R 8.27 4.48 0.00 1.85 1.90 0.00 3.51 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 76 P 0.00 5.24 0.00 1.93 1.97 0.00 3.86 0.00 0.00 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.25 0.00 77 F 7.35 4.70 0.00 3.15 3.09 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 0.00 0.00 0.00 78 D 8.24 5.42 0.00 2.62 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 79 V 8.69 4.52 2.30 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 0.97 0.00 0.00 1.17 0.00 0.00 80 E 8.86 5.10 0.00 1.89 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 2.19 2.29 0.00 81 Y 7.76 4.85 0.00 3.04 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 82 R 8.73 5.13 0.00 1.77 1.92 0.00 3.17 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 83 I 8.99 4.66 1.95 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 1.13 0.88 1.13 0.00 0.00 84 V 8.11 4.66 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 0.82 0.00 0.00 0.95 0.00 0.00 85 R 9.19 4.13 0.00 2.07 2.06 0.00 3.21 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 86 P 0.00 4.33 0.00 2.08 2.10 0.00 3.73 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 2.03 2.08 0.00 87 D 8.07 4.65 0.00 2.79 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 88 G 7.93 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 0.00 0.00 0.00 89 Q 7.82 4.10 0.00 2.29 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 90 V 8.37 4.87 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 0.95 0.00 0.00 0.94 0.00 0.00 91 R 8.67 4.69 0.00 1.74 1.76 0.00 3.32 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 92 E 8.86 4.58 0.00 1.79 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 2.28 2.26 0.00 93 L 8.62 4.81 0.00 0.76 1.23 0.88 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.75 4.71 0.00 1.59 1.40 0.87 0.95 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 95 E 9.31 4.89 0.00 2.27 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 2.19 2.31 0.00 96 R 8.34 4.71 0.00 1.86 1.61 0.00 2.89 0.00 0.00 3.34 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.01 0.00 97 N 8.59 4.70 0.00 1.44 1.77 0.00 0.00 6.38 8.58 0.00 0.00 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 H 8.37 5.07 0.00 1.40 2.91 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.28 4.78 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.71 0.98 0.00 0.00 100 Q 9.09 4.56 0.00 2.23 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 2.00 2.24 0.00 101 R 8.53 5.16 0.00 1.91 1.85 0.00 3.29 0.00 0.00 3.52 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 102 Q 8.48 4.32 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.69 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 103 A 8.78 4.01 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 0.00 104 S 8.09 4.15 0.00 3.88 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 0.00 105 G 7.99 4.10 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 0.00 0.00 0.00 106 Q 7.91 4.15 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.03 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 107 V 8.29 3.91 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 0.84 0.00 0.00 0.97 0.00 0.00 108 D 9.47 4.77 0.00 2.70 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 0.00 109 H 7.81 4.94 0.00 3.28 3.39 0.00 5.47 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.54 5.46 0.00 1.60 1.63 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 111 W 8.09 5.05 0.00 3.53 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 0.00 112 G 8.10 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.62 4.90 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 1.26 0.00 0.00 114 V 8.14 4.85 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 0.78 0.00 0.00 0.92 0.00 0.00 115 I 9.01 4.46 1.81 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 1.08 1.08 0.87 0.00 0.00 116 D 8.58 4.66 0.00 2.66 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 *118 T 8.43 4.59 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 1.20 0.00 0.00 119 E 8.07 4.06 0.00 2.06 1.93 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 2.27 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.