NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 G 3.8385 8.2085 109.7303 45.2194 0.0000 172.3446 7 A 4.4271 7.5660 125.6353 49.0075 22.5085 171.0802 8 V 3.9297 8.9202 121.2508 63.1359 33.6051 173.8295 9 I 4.3971 8.9550 128.4758 59.4463 39.1485 174.7752 10 A 4.6128 8.6081 130.2221 51.6390 18.9770 176.4836 11 C 4.6124 8.6243 121.7454 59.5769 28.3319 173.9633 12 H 4.9341 9.9086 121.6023 55.4729 29.4786 176.1544 13 T 4.7788 7.6122 109.6527 58.8282 72.8772 174.3615 14 K 3.9708 8.6382 122.8781 60.0614 32.2214 178.9941 15 Q 4.0499 8.1505 117.6267 59.1418 28.6953 178.6686 16 E 4.0029 8.6826 119.9480 59.1692 29.4617 178.9386 17 F 4.1396 8.4411 120.7644 61.6231 39.3691 176.9222 18 D 4.2721 8.5538 118.5067 57.6197 40.5488 178.9176 19 T 3.7975 7.9641 116.1069 67.1274 68.5038 176.4651 20 H 4.1287 8.0734 117.9519 58.9490 28.6228 177.8601 21 M 3.8519 7.9551 120.4748 58.2094 31.6365 178.6655 22 A 3.9373 8.1905 121.2682 54.9924 18.6183 179.0672 23 N 4.2864 8.4887 116.1042 56.8975 38.9562 177.3658 24 G 3.5539 8.0920 107.0257 47.5148 0.0000 175.5957 25 K 3.9306 8.1822 122.1760 59.5109 32.0518 178.7047 26 D 4.4399 8.3083 118.3649 56.6243 40.7566 177.8447 27 T 4.4914 7.6034 107.2681 60.3153 69.3846 174.4479 28 G 3.8926 7.6382 108.8431 47.0131 0.0000 173.8940 29 K 4.6142 8.0421 118.0726 53.9569 34.4636 176.8044 30 L 4.2671 8.3778 125.1759 55.2525 43.5644 175.5393 31 V 4.7248 8.7992 126.0581 61.0613 34.4074 174.0221 32 I 4.5978 8.4472 128.5559 59.4709 39.9338 174.3304 33 I 4.6198 8.4637 128.5676 59.5340 39.4710 174.3309 34 D 4.1283 8.7421 128.1084 52.6385 42.1536 175.3133 35 F 4.6856 8.7959 127.1848 57.1536 40.1770 175.1065 36 T 4.7819 8.6710 118.6560 61.1723 71.3722 171.7537 37 A 5.0949 8.2530 120.9329 50.4299 22.1240 177.9996 38 S 3.8518 8.4080 115.4980 60.9904 63.0047 175.8967 39 W 4.3943 7.4330 118.3922 57.8802 29.4545 176.8208 40 C 4.5712 8.0899 120.0534 55.1554 43.3828 173.9968 41 G 3.7654 8.7279 113.9315 47.6426 0.0000 171.4266 42 P 4.3039 0.0000 0.0000 65.2840 29.7358 179.3152 43 C 4.4253 7.8860 114.3242 59.6661 38.2644 175.9399 44 R 3.9103 8.2200 119.5061 58.1316 29.4345 178.8147 45 V 3.6847 7.1103 117.3137 66.2033 31.9095 177.6675 46 I 3.9130 7.4383 116.0855 62.8866 37.8344 177.4759 47 A 4.1007 7.5373 121.1033 55.0833 18.2194 177.8669 48 P 4.2953 0.0000 0.0000 65.5395 31.3099 178.7658 49 V 3.2760 7.6889 118.2178 65.7541 31.5165 177.4690 50 F 4.2376 8.2731 120.2514 61.3282 39.1149 176.9930 51 A 3.8437 7.9693 119.9729 54.9889 18.2615 179.3762 52 E 3.7988 8.2200 117.3006 59.8115 29.5477 179.2654 53 Y 4.4780 7.9373 116.7245 61.0701 37.7227 178.1770 54 A 2.5800 6.8532 120.5069 54.6312 18.3135 179.3499 55 K 4.1556 7.2009 118.2948 58.8701 32.3665 178.7449 56 K 3.9614 7.5505 118.2024 57.4780 33.6835 176.8156 57 F 5.0351 7.8147 117.7541 55.1224 38.9130 173.8227 58 P 4.4260 0.0000 0.0000 64.9074 31.9569 178.7031 59 G 3.7691 8.2661 106.2111 46.6203 0.0000 172.7194 60 A 4.9775 7.8310 120.5898 50.0939 22.4150 175.5750 61 I 4.4844 8.5652 120.6427 59.7476 39.6392 174.8876 62 F 5.1774 9.0154 125.5045 55.7795 41.4085 174.3982 63 L 5.2987 9.2227 124.2170 52.7198 45.2402 175.4326 64 K 4.8416 9.1448 123.1488 54.5670 35.3877 174.8512 65 V 4.4885 8.2944 126.9959 60.8863 34.4629 173.6645 66 D 4.9042 8.5774 128.1609 53.7600 41.8818 177.1423 67 V 3.6675 9.0603 120.9796 64.6194 32.0949 178.5724 68 D 4.5435 8.5457 119.9331 56.7531 40.6185 178.1145 69 E 4.1696 8.3236 119.5593 58.0163 31.1860 176.2970 70 L 4.9445 7.8229 120.7023 53.2277 39.1450 177.1972 71 K 4.2353 8.1255 123.3092 58.4557 32.5373 178.4555 72 D 4.3245 8.0327 119.2393 56.6651 39.4594 178.8365 73 V 3.5896 7.7209 119.6395 65.1496 31.5891 177.5599 74 A 3.6762 8.1357 120.6169 55.0968 18.2295 179.2116 75 E 3.7917 8.2153 117.5469 59.4023 29.4953 178.8580 76 A 3.9395 7.9983 119.7165 54.6487 18.4152 178.1988 77 Y 4.1561 7.5050 111.9731 56.3665 39.0787 175.2631 78 N 3.9814 7.9135 117.3195 54.4367 37.8481 175.0181 79 V 3.6038 7.5451 117.1250 63.0498 32.1823 174.9910 80 E 4.6372 8.4634 124.5753 55.4483 30.8321 175.0190 81 A 4.5850 7.4326 119.3888 51.5124 21.8061 176.2640 82 M 4.8396 8.2523 116.9234 52.5913 34.1368 173.5488 83 P 4.6175 0.0000 0.0000 62.9459 32.9842 175.3487 84 T 4.7496 8.3003 117.8585 61.8615 71.6489 173.0165 85 F 5.1176 9.3124 125.2442 55.8224 41.2716 174.5413 86 L 5.2339 8.7703 124.2703 53.0431 44.5400 175.5042 87 F 5.0394 9.3434 122.0111 55.9033 41.3918 174.5072 88 I 4.9967 9.0081 125.5629 59.3579 39.7631 174.7336 89 K 4.6587 8.7220 127.9333 55.0432 35.5932 175.5355 90 D 4.3864 9.8407 125.3995 55.3961 39.5778 174.3756 91 G 4.0024 8.5412 103.3026 45.2197 0.0000 173.8229 92 E 4.7837 7.8264 119.3342 53.6732 32.2815 175.4591 93 K 4.5960 8.8178 123.9404 57.0029 32.6827 176.6791 94 V 4.5132 8.9030 118.1860 61.4197 34.0474 174.5254 95 D 4.8065 8.0765 118.7553 53.8192 44.6856 173.6135 96 S 5.5330 8.4430 114.3892 57.2266 66.0849 173.6401 97 V 4.5138 9.2695 121.0959 61.0500 34.6522 175.9272 98 V 4.5495 8.5117 126.3044 63.1020 31.9818 176.6376 *102 K 4.5039 7.9872 117.7006 56.1188 33.9326 177.7100 103 D 4.4275 8.0896 117.0258 57.3447 41.0967 177.7157 104 D 4.3719 8.2024 118.9878 57.5563 40.8824 178.8129 105 I 3.7950 7.7610 119.3988 64.6380 37.2551 177.5653 106 H 3.5459 8.0930 118.9827 59.6146 29.5236 177.2044 107 T 3.8170 8.1171 117.4602 66.6486 68.2433 176.6930 108 K 3.6735 7.8755 120.2246 59.2856 31.8609 179.4471 109 I 3.4815 7.5758 119.9271 64.3137 36.7726 178.5645 110 V 3.3879 7.1599 117.2079 65.8032 31.4803 177.5983 111 A 4.0610 8.0770 120.6263 55.3672 18.1035 179.6845 112 L 4.0195 7.9265 115.9914 57.6436 41.8044 179.2411 113 M 4.1546 8.1291 118.0572 57.3203 32.3284 178.7585 114 G 3.7390 8.2796 107.7435 46.0382 0.0000 172.9652 115 S 4.5474 8.2116 115.2827 56.7800 65.4906 174.6709 116 A 4.1320 8.4321 125.0364 51.9310 18.7504 177.9361 117 S 4.1528 8.4645 115.4009 59.6312 63.6733 174.6979 118 T 3.7409 8.4372 117.3260 64.3687 68.3189 172.0472 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 6 G 8.21 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 7 A 7.57 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.92 3.93 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 1.02 0.00 0.00 0.84 0.00 0.00 9 I 8.95 4.40 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.67 0.70 0.00 0.00 10 A 8.61 4.61 1.14 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 0.00 0.00 11 C 8.62 4.61 0.00 2.93 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 12 H 9.91 4.93 0.00 3.14 3.46 0.00 5.56 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.61 4.78 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 1.26 0.00 0.00 14 K 8.64 3.97 0.00 1.86 1.93 0.00 1.91 0.00 0.00 2.00 0.00 0.00 3.08 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.57 1.67 7.81 15 Q 8.15 4.05 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.69 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 16 E 8.68 4.00 0.00 2.23 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 2.38 2.36 0.00 17 F 8.44 4.14 0.00 3.12 3.31 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 18 D 8.55 4.27 0.00 2.95 2.73 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 19 T 7.96 3.80 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 1.10 0.00 0.00 20 H 8.07 4.13 0.00 3.08 3.26 0.00 5.62 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 21 M 7.96 3.85 0.00 1.80 1.92 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.77 0.00 22 A 8.19 3.94 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 23 N 8.49 4.29 0.00 2.79 2.97 0.00 0.00 7.11 8.08 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 24 G 8.09 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 25 K 8.18 3.93 0.00 1.82 1.93 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.43 1.48 7.81 26 D 8.31 4.44 0.00 2.83 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 27 T 7.60 4.49 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 1.27 0.00 0.00 28 G 7.64 3.89 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 0.00 29 K 8.04 4.61 0.00 1.60 1.72 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.58 1.37 7.81 30 L 8.38 4.27 0.00 1.74 1.46 1.07 0.71 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 31 V 8.80 4.72 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 0.67 0.00 0.00 0.86 0.00 0.00 32 I 8.45 4.60 1.37 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.16 0.61 0.00 0.00 33 I 8.46 4.62 1.53 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.57 -0.11 0.00 0.00 34 D 8.74 4.13 0.00 1.58 1.96 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 35 F 8.80 4.69 0.00 2.88 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 36 T 8.67 4.78 4.21 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 0.00 0.00 0.00 1.09 0.00 0.00 37 A 8.25 5.09 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 38 S 8.41 3.85 0.00 3.45 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.43 4.39 0.00 3.34 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 40 C 8.09 4.57 0.00 3.03 3.18 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 41 G 8.73 3.77 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 0.00 0.00 0.00 42 P 0.00 4.30 0.00 2.19 2.16 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 43 C 7.89 4.43 0.00 3.31 3.12 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 44 R 8.22 3.91 0.00 1.96 1.98 0.00 3.25 0.00 0.00 3.10 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 45 V 7.11 3.68 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 0.82 0.00 0.00 1.03 0.00 0.00 46 I 7.44 3.91 2.01 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 1.58 1.15 1.24 0.00 0.00 47 A 7.54 4.10 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 48 P 0.00 4.30 0.00 2.24 2.31 0.00 3.88 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 2.06 2.02 0.00 49 V 7.69 3.28 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 0.56 0.00 0.00 0.86 0.00 0.00 50 F 8.27 4.24 0.00 3.33 3.34 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 51 A 7.97 3.84 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 52 E 8.22 3.80 0.00 1.99 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 2.32 2.40 0.00 53 Y 7.94 4.48 0.00 3.09 3.20 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 0.00 0.00 0.00 54 A 6.85 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.20 4.16 0.00 1.56 1.89 0.00 1.46 0.00 0.00 1.41 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.24 7.81 56 K 7.55 3.96 0.00 1.78 1.45 0.00 1.70 0.00 0.00 0.84 0.00 0.00 2.72 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.88 1.23 7.81 57 F 7.81 5.04 0.00 3.51 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 58 P 0.00 4.43 0.00 2.19 2.17 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 1.95 0.00 59 G 8.27 3.77 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 0.00 0.00 0.00 60 A 7.83 4.98 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 61 I 8.57 4.48 1.82 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 1.26 0.68 0.90 0.00 0.00 62 F 9.02 5.18 0.00 2.75 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 63 L 9.22 5.30 0.00 1.52 1.54 0.77 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 64 K 9.14 4.84 0.00 1.85 1.60 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.21 1.23 7.81 65 V 8.29 4.49 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 0.89 0.00 0.00 0.57 0.00 0.00 66 D 8.58 4.90 0.00 2.72 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 67 V 9.06 3.67 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 0.79 0.00 0.00 0.96 0.00 0.00 68 D 8.55 4.54 0.00 2.90 2.85 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 69 E 8.32 4.17 0.00 2.05 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 2.40 2.42 0.00 70 L 7.82 4.94 0.00 1.65 1.66 0.87 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.13 4.24 0.00 1.80 1.86 0.00 1.97 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.57 7.81 72 D 8.03 4.32 0.00 2.95 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 73 V 7.72 3.59 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 0.37 0.00 0.00 0.75 0.00 0.00 74 A 8.14 3.68 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 75 E 8.22 3.79 0.00 2.11 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 0.00 2.26 2.29 0.00 76 A 8.00 3.94 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 77 Y 7.50 4.16 0.00 2.64 2.82 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 78 N 7.91 3.98 0.00 2.73 2.77 0.00 0.00 7.03 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 79 V 7.55 3.60 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 0.69 0.00 0.00 -0.08 0.00 0.00 80 E 8.46 4.64 0.00 1.92 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 2.16 2.42 0.00 81 A 7.43 4.58 1.20 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 0.00 0.00 0.00 0.00 0.00 82 M 8.25 4.84 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 83 P 0.00 4.62 0.00 1.57 1.88 0.00 3.74 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 2.06 2.03 0.00 84 T 8.30 4.75 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 85 F 9.31 5.12 0.00 3.04 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 86 L 8.77 5.23 0.00 1.68 1.67 1.08 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 87 F 9.34 5.04 0.00 3.04 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 88 I 9.01 5.00 1.85 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.09 0.97 0.00 0.00 89 K 8.72 4.66 0.00 1.85 1.61 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.40 7.81 90 D 9.84 4.39 0.00 2.80 2.70 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 0.00 0.00 0.00 0.00 91 G 8.54 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 92 E 7.83 4.78 0.00 2.15 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 2.38 2.37 0.00 93 K 8.82 4.60 0.00 1.99 1.88 0.00 1.91 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.64 7.81 94 V 8.90 4.51 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 0.78 0.00 0.00 1.06 0.00 0.00 95 D 8.08 4.81 0.00 2.60 2.29 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 96 S 8.44 5.53 0.00 4.03 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 97 V 9.27 4.51 2.49 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 1.18 0.00 0.00 1.10 0.00 0.00 98 V 8.51 4.55 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 0.93 0.00 0.00 0.99 0.00 0.00 *102 K 7.99 4.50 0.00 1.97 2.03 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.48 7.81 103 D 8.09 4.43 0.00 2.75 2.70 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 0.00 0.00 0.00 0.00 104 D 8.20 4.37 0.00 2.80 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 0.00 105 I 7.76 3.80 2.22 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.73 1.13 0.00 0.00 106 H 8.09 3.55 0.00 3.00 3.41 0.00 5.79 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 0.00 107 T 8.12 3.82 4.32 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 1.16 0.00 0.00 108 K 7.88 3.67 0.00 1.45 0.92 0.00 0.85 0.00 0.00 1.04 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.13 1.43 7.81 109 I 7.58 3.48 1.35 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.77 -0.23 0.00 0.00 110 V 7.16 3.39 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 0.80 0.00 0.00 0.91 0.00 0.00 111 A 8.08 4.06 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 0.00 112 L 7.93 4.02 0.00 1.60 1.71 0.75 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 113 M 8.13 4.15 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 114 G 8.28 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 0.00 0.00 0.00 115 S 8.21 4.55 0.00 3.95 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 0.00 116 A 8.43 4.13 1.27 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 0.00 0.00 0.00 117 S 8.46 4.15 0.00 3.99 3.89 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 0.00 118 T 8.44 3.74 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 * Residues marked with a * may have inaccurate shift predictions.