NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 D 4.8835 8.3493 121.4738 54.2341 42.0400 174.4114 10 I 4.4297 7.8910 109.5001 60.7811 40.2837 172.6434 11 R 4.5166 9.5011 125.6859 54.4625 34.4145 175.6497 12 V 4.7393 8.4766 125.4526 62.1848 32.3002 174.9734 13 R 4.7355 8.3995 122.7821 55.2867 33.4415 174.2234 14 R 4.6703 8.9048 120.3106 55.6901 31.2640 176.6544 15 L 4.8394 8.4934 124.8358 52.6236 40.6654 175.1826 16 F 3.5133 8.7978 124.5315 58.6003 41.0384 173.3589 17 C 4.6557 7.2813 123.6725 57.0557 34.3616 174.8724 18 R 4.1844 8.4071 123.2151 58.7048 29.8246 177.1775 19 T 4.4274 7.7232 106.6179 61.4581 69.5477 174.5893 20 Q 3.0667 7.7908 117.2875 57.6725 26.4920 172.3330 21 W 5.1183 6.8223 116.0341 55.1474 34.8406 175.2922 22 Y 4.7815 9.0533 118.0768 55.8660 41.0618 175.1619 23 L 4.4394 8.3123 126.6592 55.1556 43.3979 175.5510 24 R 5.0781 8.9337 126.2287 54.6597 33.6200 173.6423 25 I 4.6455 8.6104 127.5370 59.4553 38.7236 175.2411 26 D 4.8130 9.2967 128.4203 53.2737 42.5977 176.3846 27 K 4.4909 8.7050 122.2068 56.9206 32.8820 178.4625 28 R 4.3296 7.8222 113.6745 58.0017 32.1761 175.5842 29 G 3.3559 7.2293 104.8055 46.1084 0.0000 173.9895 30 K 4.2764 7.6758 119.1327 55.0464 33.8104 175.9558 31 V 4.7813 8.5239 127.5772 62.0663 32.7783 174.9559 32 K 4.5871 8.5866 130.7578 53.7673 36.7315 172.6206 33 G 4.2760 8.3220 106.5872 46.9703 0.0000 173.2252 34 T 5.0788 9.4563 114.8985 60.5126 70.5713 174.6500 35 Q 4.1550 8.9102 124.3342 57.5240 29.7463 176.6288 36 E 3.9358 7.9336 118.0800 56.0698 30.0128 175.7406 37 M 3.5639 8.0383 126.2869 58.5315 32.8299 177.7235 38 R 4.0430 7.5089 116.4591 56.2851 30.5121 177.5117 39 N 4.6112 7.3219 117.0465 54.0273 38.6373 173.6954 40 S 4.7086 9.8426 108.2787 59.1020 66.6965 174.7812 41 Y 4.6313 8.6492 117.5647 57.8554 37.8474 175.9628 42 N 5.3775 7.9068 115.9533 51.6997 38.4552 173.7751 43 I 3.9733 7.5428 120.7721 61.6337 38.4304 175.3737 44 M 4.4741 8.6998 126.1581 53.5804 35.8601 174.7447 45 E 4.4978 8.5325 119.7530 54.5347 32.0840 174.2700 46 I 4.3300 9.4507 130.0239 60.6271 38.3576 174.9785 47 R 4.9235 9.4868 128.5820 54.7097 32.9149 174.4971 48 T 4.7974 8.5725 122.6695 62.5025 69.0580 174.8699 49 V 4.2790 8.3039 125.0667 62.0377 34.4913 176.0489 50 A 4.5905 8.0352 122.7866 52.6057 24.4053 176.8100 51 V 3.8818 8.3323 113.1219 61.1952 33.0097 176.7771 52 G 4.3544 7.7674 108.5134 45.8806 0.0000 171.6975 53 I 4.9536 7.9829 120.5561 59.0816 40.4904 176.1081 54 V 5.0814 9.2085 125.5617 59.9141 35.4698 174.2293 55 A 5.2942 9.5397 122.7567 50.1556 22.6699 175.0073 56 I 5.5974 8.6024 114.1983 58.0311 40.9931 174.2211 57 K 4.8060 7.8707 125.7043 53.0443 35.4060 174.9660 58 G 3.7767 8.5334 115.1132 46.1166 0.0000 173.7064 59 V 3.5221 8.2448 128.6032 67.0128 31.3227 177.8054 60 E 3.9664 7.6584 114.2621 58.5387 30.1692 180.1237 61 S 4.0438 7.4173 113.5212 59.5390 63.0322 176.0058 62 E 3.6282 8.3538 117.4183 56.6469 27.9089 174.4346 63 Y 4.6252 7.1869 116.8635 56.8534 39.9823 174.7693 64 Y 4.8169 8.2391 113.3138 55.8379 40.5379 171.2237 65 L 3.8331 8.6774 126.6205 54.4658 40.4028 172.3544 66 A 5.2165 9.2024 127.1946 50.4988 23.5974 174.1039 67 M 5.6021 8.5111 117.5874 52.4533 35.1188 176.2071 68 N 4.7486 8.3094 121.8664 51.8429 39.1881 175.6485 69 K 3.7831 8.7859 119.0701 59.0945 32.0920 176.9070 70 E 4.3745 8.4954 115.8566 55.2333 30.6581 175.6069 71 G 3.8489 8.2573 110.4776 45.8421 0.0000 174.8733 72 K 3.8223 8.1427 118.5823 56.6992 32.5371 175.5367 73 L 4.7993 8.3044 124.1373 53.7001 42.1700 174.2316 74 Y 5.3352 7.8006 127.8491 55.6713 41.3142 174.1486 75 A 5.2936 8.5754 118.8533 51.8304 22.8910 175.1690 76 K 4.6078 8.6046 118.8429 56.8443 35.4011 174.8679 77 K 4.4071 8.7072 120.9457 56.0502 33.2175 175.3383 78 E 4.1488 7.9259 118.9985 55.6458 28.7628 175.5578 79 C 4.3775 8.1407 124.0425 59.9566 29.4945 173.0244 80 N 4.5454 7.7642 116.1826 53.6006 40.9529 174.2785 81 E 4.2405 8.6151 119.1008 57.8065 30.6061 178.4008 82 D 4.3397 7.7438 117.5974 57.0972 41.2125 177.3594 83 C 4.0697 7.6654 114.7446 60.4385 28.6300 172.7865 84 N 4.5901 6.9960 117.4124 51.9975 39.1693 174.7864 85 F 5.2640 8.7610 122.0277 55.6169 43.7967 173.7978 86 K 4.7986 9.1602 122.5416 55.8767 34.5371 175.4191 87 E 4.1747 8.5332 126.2563 55.0860 29.5255 175.4512 88 L 4.4536 7.7454 126.6756 54.0030 44.5025 176.3935 89 I 5.5461 7.8505 119.6323 59.5505 39.0795 175.5918 90 L 4.1107 8.3375 126.9775 54.2632 42.2061 178.2714 91 E 3.8225 8.4498 120.6027 58.3311 29.6395 177.2763 92 N 4.2826 7.7750 115.5249 55.0944 39.0619 173.7930 93 H 4.1904 8.1172 113.5739 58.1487 26.4713 174.1392 94 Y 4.8111 7.9351 114.8063 56.3796 40.5362 175.5452 95 N 5.6785 8.2967 118.8719 51.9320 41.2591 175.5981 96 T 4.2110 7.1892 105.2674 63.6005 71.2313 170.4005 97 Y 4.4074 7.8337 128.1135 57.2978 34.2717 168.2465 98 A 5.3293 7.8380 125.9008 49.3139 21.6396 176.5056 99 S 4.8827 8.1067 114.3708 57.8111 63.6222 173.5831 100 A 4.6065 8.1710 121.8427 51.9877 19.3932 176.7004 101 K 4.3561 7.5376 114.0753 55.3427 31.5364 174.4063 102 W 3.7340 7.8457 121.1901 55.7673 29.1247 173.7200 *106 G 4.1242 8.4625 107.8533 44.7156 0.0000 172.6890 107 G 4.3917 8.7899 108.2487 44.4589 0.0000 174.9776 108 E 3.9680 8.3140 118.3213 57.3171 26.9195 173.5936 109 M 4.4527 7.6401 120.4323 56.0925 33.3148 175.7559 110 F 5.9447 8.6544 120.2503 54.2507 43.5529 175.2662 111 V 3.7614 7.8844 119.0983 62.9774 31.0373 174.9113 112 A 5.4382 8.5671 128.9445 50.1804 23.2274 174.5436 113 L 4.7366 8.0927 118.2515 53.0779 44.8184 176.7762 114 N 4.3454 8.8129 122.1283 53.6975 38.9765 175.3915 115 Q 4.8261 8.5495 115.3560 56.6629 28.6284 176.8890 116 K 4.6839 8.1119 115.8370 55.9955 33.1233 175.5595 117 G 2.3624 6.4965 108.3199 44.6680 0.0000 174.5070 118 L 4.1310 7.0369 119.3564 53.6282 42.2165 175.4801 119 P 5.2392 0.0000 0.0000 62.1828 32.5882 175.0048 120 V 4.5596 8.1324 117.7577 61.2693 34.0924 175.1228 121 K 4.3496 8.5340 123.7770 55.1087 33.5368 177.8741 122 G 3.9499 8.3684 113.4753 49.0290 0.0000 176.7217 123 K 4.3561 7.9832 114.4671 56.4699 31.4031 177.7456 124 K 4.5714 8.8592 118.8663 57.0625 35.7557 177.3669 125 T 4.1364 7.0830 108.3156 62.2873 69.1170 173.5085 126 K 4.5910 8.7752 119.7139 55.6500 36.1238 176.8829 127 K 3.7359 8.4634 125.6216 59.4757 32.7964 177.1084 128 E 4.1460 7.9454 116.0619 58.6949 30.0410 177.3030 129 Q 4.0890 7.5492 118.5192 55.8788 29.6594 178.0398 130 K 3.6665 8.5063 119.5346 59.5438 32.5099 179.5324 131 T 3.7819 8.1930 108.6783 64.8931 68.2732 175.2264 132 A 4.2932 7.4779 121.3098 53.0400 18.8349 176.2676 133 H 5.3504 8.7633 115.5200 54.3572 31.0136 174.2803 134 F 5.3182 8.7678 121.3860 55.6086 43.4849 174.2993 135 L 4.5858 9.2797 121.8042 53.0878 44.9917 173.3273 136 P 5.0178 0.0000 0.0000 63.3404 32.3934 175.6868 137 M 4.9605 8.7901 120.5393 53.8614 36.7325 174.7807 138 A 4.5529 8.6407 125.2890 51.6377 19.7152 177.8072 139 I 3.7704 8.5566 120.8402 64.4146 37.4086 176.8067 140 T 3.8277 7.9722 119.3372 64.1023 68.5410 171.9189 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 9 D 8.35 4.88 0.00 2.48 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 10 I 7.89 4.43 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 0.93 0.00 0.00 11 R 9.50 4.52 0.00 1.72 1.87 0.00 3.15 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 12 V 8.48 4.74 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 13 R 8.40 4.74 0.00 2.14 1.98 0.00 2.87 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 14 R 8.90 4.67 0.00 2.05 2.25 0.00 3.26 0.00 0.00 3.31 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.57 0.00 15 L 8.49 4.84 0.00 1.77 1.89 0.76 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.80 3.51 0.00 2.98 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 17 C 7.28 4.66 0.00 2.03 2.38 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 18 R 8.41 4.18 0.00 2.14 2.17 0.00 3.77 0.00 0.00 3.42 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 19 T 7.72 4.43 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 1.24 0.00 0.00 20 Q 7.79 3.07 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.00 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 21 W 6.82 5.12 0.00 2.96 2.80 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 22 Y 9.05 4.78 0.00 3.14 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 L 8.31 4.44 0.00 1.93 1.66 1.01 0.58 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 24 R 8.93 5.08 0.00 2.00 1.95 0.00 3.13 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 25 I 8.61 4.65 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.02 0.88 0.00 0.00 26 D 9.30 4.81 0.00 2.86 2.59 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 27 K 8.71 4.49 0.00 1.97 1.96 0.00 1.78 0.00 0.00 1.99 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.56 7.81 28 R 7.82 4.33 0.00 1.87 1.85 0.00 3.50 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 29 G 7.23 3.36 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 0.00 30 K 7.68 4.28 0.00 1.89 1.70 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.45 7.81 31 V 8.52 4.78 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 0.75 0.00 0.00 0.94 0.00 0.00 32 K 8.59 4.59 0.00 1.38 1.60 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.27 1.27 7.81 33 G 8.32 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 0.00 0.00 0.00 0.00 34 T 9.46 5.08 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 1.33 0.00 0.00 35 Q 8.91 4.16 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.70 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 36 E 7.93 3.94 0.00 1.88 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 2.27 2.23 0.00 37 M 8.04 3.56 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 38 R 7.51 4.04 0.00 1.80 1.90 0.00 3.27 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 39 N 7.32 4.61 0.00 2.63 2.75 0.00 0.00 6.81 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 40 S 9.84 4.71 0.00 3.86 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 41 Y 8.65 4.63 0.00 3.09 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 42 N 7.91 5.38 0.00 3.08 3.08 0.00 0.00 6.76 7.68 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 43 I 7.54 3.97 1.89 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 1.26 1.03 0.93 0.00 0.00 44 M 8.70 4.47 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.82 0.00 45 E 8.53 4.50 0.00 1.99 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 2.19 2.31 0.00 46 I 9.45 4.33 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.52 0.99 0.00 0.00 47 R 9.49 4.92 0.00 1.93 2.01 0.00 3.16 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 48 T 8.57 4.80 4.27 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 1.24 0.00 0.00 49 V 8.30 4.28 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 0.90 0.00 0.00 50 A 8.04 4.59 1.16 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 0.00 0.00 51 V 8.33 3.88 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 0.73 0.00 0.00 0.95 0.00 0.00 52 G 7.77 4.35 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 0.00 53 I 7.98 4.95 1.88 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 1.42 1.50 0.90 0.00 0.00 54 V 9.21 5.08 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 1.04 0.00 0.00 1.06 0.00 0.00 55 A 9.54 5.29 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 56 I 8.60 5.60 1.83 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 1.24 0.58 0.82 0.00 0.00 57 K 7.87 4.81 0.00 0.79 1.41 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.05 0.72 7.81 58 G 8.53 3.78 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 0.00 0.00 0.00 59 V 8.24 3.52 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 0.71 0.00 0.00 0.90 0.00 0.00 60 E 7.66 3.97 0.00 2.03 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 2.23 1.87 0.00 61 S 7.42 4.04 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 62 E 8.35 3.63 0.00 2.02 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 2.37 2.34 0.00 63 Y 7.19 4.63 0.00 3.15 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 64 Y 8.24 4.82 0.00 3.17 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 65 L 8.68 3.83 0.00 1.85 1.90 0.64 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 66 A 9.20 5.22 1.06 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 67 M 8.51 5.60 0.00 1.78 2.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.34 0.00 68 N 8.31 4.75 0.00 2.86 3.08 0.00 0.00 5.84 6.47 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 69 K 8.79 3.78 0.00 1.71 1.90 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.22 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.56 7.81 70 E 8.50 4.37 0.00 1.96 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 2.27 2.39 0.00 71 G 8.26 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 72 K 8.14 3.82 0.00 1.87 1.84 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.49 7.81 73 L 8.30 4.80 0.00 1.50 1.56 0.84 0.77 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 74 Y 7.80 5.34 0.00 3.03 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 75 A 8.58 5.29 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 76 K 8.60 4.61 0.00 1.92 1.75 0.00 1.70 0.00 0.00 1.89 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.28 7.81 77 K 8.71 4.41 0.00 1.25 1.58 0.00 1.96 0.00 0.00 1.79 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.20 1.42 7.81 78 E 7.93 4.15 0.00 1.94 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 2.24 2.25 0.00 79 C 8.14 4.38 0.00 2.81 2.55 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 80 N 7.76 4.55 0.00 2.65 2.69 0.00 0.00 6.79 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 81 E 8.62 4.24 0.00 1.98 1.86 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 2.27 2.30 0.00 82 D 7.74 4.34 0.00 2.72 2.55 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 83 C 7.67 4.07 0.00 2.73 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 84 N 7.00 4.59 0.00 2.54 2.61 0.00 0.00 6.71 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 85 F 8.76 5.26 0.00 2.98 2.96 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 86 K 9.16 4.80 0.00 1.85 1.97 0.00 1.32 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.41 7.81 87 E 8.53 4.17 0.00 2.25 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 2.18 1.95 0.00 88 L 7.75 4.45 0.00 1.63 1.59 1.02 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.85 5.55 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.87 0.98 0.00 0.00 90 L 8.34 4.11 0.00 1.59 1.50 0.74 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.45 3.82 0.00 1.84 1.90 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 2.24 2.28 0.00 92 N 7.77 4.28 0.00 2.44 2.47 0.00 0.00 7.12 7.89 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 93 H 8.12 4.19 0.00 3.51 3.56 0.00 5.66 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.94 4.81 0.00 2.84 2.80 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 95 N 8.30 5.68 0.00 2.78 2.27 0.00 0.00 6.39 6.93 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 96 T 7.19 4.21 4.53 0.00 0.00 0.00 0.00 0.00 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 97 Y 7.83 4.41 0.00 3.15 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 98 A 7.84 5.33 0.76 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 99 S 8.11 4.88 0.00 3.83 3.66 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 0.00 100 A 8.17 4.61 1.24 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 0.00 0.00 101 K 7.54 4.36 0.00 1.63 1.63 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.48 7.81 102 W 7.85 3.73 0.00 3.59 3.28 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 *106 G 8.46 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 0.00 107 G 8.79 4.39 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 0.00 108 E 8.31 3.97 0.00 2.16 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 0.00 2.43 3.15 0.00 109 M 7.64 4.45 0.00 1.85 1.71 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 110 F 8.65 5.94 0.00 2.87 3.19 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 0.00 111 V 7.88 3.76 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 0.31 0.00 0.00 0.41 0.00 0.00 112 A 8.57 5.44 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 0.00 113 L 8.09 4.74 0.00 1.27 1.36 0.88 0.86 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 0.00 114 N 8.81 4.35 0.00 2.76 2.75 0.00 0.00 6.59 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 0.00 115 Q 8.55 4.83 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.98 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 116 K 8.11 4.68 0.00 1.62 1.83 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.33 7.81 117 G 6.50 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 0.00 0.00 0.00 118 L 7.04 4.13 0.00 1.59 1.50 0.87 0.93 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 0.00 119 P 0.00 5.24 0.00 2.04 2.07 0.00 3.22 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 120 V 8.13 4.56 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 0.86 0.00 0.00 1.01 0.00 0.00 121 K 8.53 4.35 0.00 1.75 1.69 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.43 7.81 122 G 8.37 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 0.00 123 K 7.98 4.36 0.00 1.78 1.89 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.47 7.81 124 K 8.86 4.57 0.00 1.81 1.80 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.38 7.81 125 T 7.08 4.14 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 1.34 0.00 0.00 126 K 8.78 4.59 0.00 1.78 1.95 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.61 7.81 127 K 8.46 3.74 0.00 1.76 1.79 0.00 1.82 0.00 0.00 1.90 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.39 7.81 128 E 7.95 4.15 0.00 2.10 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 2.25 2.26 0.00 129 Q 7.55 4.09 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 130 K 8.51 3.67 0.00 1.78 1.84 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.37 7.81 131 T 8.19 3.78 4.27 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 1.21 0.00 0.00 132 A 7.48 4.29 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 0.00 133 H 8.76 5.35 0.00 3.34 3.68 0.00 5.56 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 0.00 134 F 8.77 5.32 0.00 2.92 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 0.00 135 L 9.28 4.59 0.00 1.41 1.38 0.14 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 5.02 0.00 2.18 2.14 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 137 M 8.79 4.96 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.48 0.00 138 A 8.64 4.55 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 0.00 139 I 8.56 3.77 1.89 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 1.45 0.87 0.93 0.00 0.00 140 T 7.97 3.83 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.