NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 A 4.2493 8.2493 123.5821 51.1957 20.1219 177.2719 2 P 3.8661 0.0000 0.0000 62.1121 31.3766 173.2317 3 A 4.2975 7.9163 121.7496 50.5567 20.3749 178.9019 4 V 3.5442 8.3648 122.0602 61.3016 31.5706 174.5143 5 P 4.2570 0.0000 0.0000 62.9659 31.4485 174.8897 6 D 4.6607 8.2276 121.2575 54.9508 40.9509 176.7250 7 K 4.1007 7.7830 120.0817 54.5010 32.7415 175.0827 8 P 4.4595 0.0000 0.0000 63.3657 32.1573 175.7353 9 V 4.5343 8.5207 115.8988 59.6931 34.2932 174.9389 10 E 4.5606 8.7938 124.0195 55.3064 30.3250 177.4993 11 V 4.3408 7.4195 124.6537 61.2449 29.7227 176.0365 12 K 4.1782 7.9632 119.5895 57.4081 34.0899 175.7746 13 G 4.2773 7.8532 112.1559 45.3350 0.0000 174.3263 14 S 4.2960 9.1234 118.1565 60.6577 62.9345 176.7628 15 Q 4.6005 7.5940 117.3814 55.0389 30.3577 174.0804 16 K 4.7161 8.0250 116.2740 54.9143 36.0890 175.3423 17 T 4.6707 8.4124 116.6007 62.0108 71.1570 173.8116 18 V 4.3663 8.3147 127.7276 60.8838 33.2959 174.5974 19 M 4.5231 8.6837 126.3191 55.3496 32.4705 175.5146 20 F 4.8673 9.0960 123.8509 55.7917 42.4759 171.9980 21 P 4.7034 0.0000 0.0000 62.4299 32.7001 176.2331 22 H 4.3738 8.7409 118.3960 58.6281 29.1370 176.8472 23 A 3.8124 8.1847 120.5532 55.1652 17.7769 177.4265 24 P 4.1016 0.0000 0.0000 64.9943 32.1574 177.2486 25 H 4.9308 7.9244 114.0355 55.4149 29.0422 175.8735 26 E 4.3470 8.5436 119.2781 58.0395 30.5683 177.8741 27 K 4.1228 8.0128 118.1834 58.5709 32.6260 177.8140 28 V 3.6997 7.6702 118.5114 62.4181 31.9551 175.3824 29 E 4.1616 8.8467 126.4518 57.0715 30.0956 178.0021 30 C 4.3501 8.6968 118.8908 62.5433 28.6219 176.6328 31 V 3.5827 7.6391 117.5508 64.0156 31.4323 177.6591 32 T 3.9796 7.5796 117.4815 66.6312 68.4506 175.1576 33 C 4.2662 7.9298 116.7440 62.3643 28.9605 174.9688 34 H 4.4072 8.5279 119.8702 54.4494 26.4737 174.5717 35 H 4.2665 7.5712 116.5339 54.9158 29.3697 176.5490 36 L 3.9346 8.2822 121.5008 55.0637 42.1891 176.8314 37 V 4.1859 9.0614 122.1631 62.1197 32.2370 175.5800 38 D 4.5147 9.7546 128.2031 55.3758 38.4059 173.6864 39 G 3.9468 8.4546 101.9241 46.5291 0.0000 174.4089 40 K 4.6480 8.0838 117.3921 53.7272 36.2548 175.8925 41 E 4.2232 8.6442 122.9947 56.4064 30.1656 175.8551 42 S 4.7796 7.8577 118.5792 57.9964 65.6416 173.2818 43 Y 4.4099 8.0138 117.9214 56.8735 38.7669 175.0676 44 A 4.4746 7.9558 123.3954 50.5784 20.2849 178.0099 45 K 4.1591 7.8480 118.4652 56.7774 32.6476 177.9506 46 C 4.2043 8.8703 119.9748 62.1024 28.8367 174.5125 47 G 4.8567 7.7491 107.1159 44.8701 0.0000 172.9682 48 S 4.5117 7.5097 115.1561 56.9345 64.7575 174.3170 49 S 4.0942 8.5529 119.5370 61.5554 62.6097 173.2086 50 G 4.3241 8.9503 116.4499 46.4496 0.0000 173.5892 51 C 4.5288 8.2043 125.4191 59.7609 28.1534 176.1053 52 H 4.9359 8.3586 116.1429 56.5808 26.4977 176.2410 53 D 4.2684 7.8664 121.5255 56.1697 40.4020 177.3358 54 D 4.3592 8.1919 121.4044 54.3022 41.1962 176.0687 55 L 4.7289 8.5622 124.9490 55.0459 42.8903 177.1274 56 T 4.1874 7.9560 114.6360 65.1420 69.5308 174.9458 57 A 3.9688 8.9052 124.8948 52.8612 18.4788 177.1955 58 K 4.0808 7.9838 120.0496 58.2663 33.0270 177.6654 59 K 3.7522 7.4608 119.3189 56.0955 33.4725 175.7723 60 G 3.9393 7.2513 107.3034 43.7317 0.0000 174.6637 61 E 4.5107 8.7840 120.0723 57.2477 30.0858 177.2720 62 K 4.4935 8.0239 118.4037 56.3261 32.8783 174.9784 63 S 5.1324 7.9279 117.1345 56.7436 63.9656 175.1743 64 L 4.1779 9.2958 128.6498 57.4076 42.4535 177.4078 65 Y 4.2033 8.2004 119.5532 60.6233 39.0606 176.4460 66 Y 4.5259 7.8804 117.8535 59.7677 39.1914 176.4125 67 V 4.2722 7.2774 112.9008 60.2122 32.2843 175.2822 68 V 4.3639 7.3458 120.6641 64.1428 38.9489 174.7883 69 H 4.5331 7.8645 115.3614 55.5249 28.9698 175.1570 70 A 4.5265 7.6868 123.9147 50.6142 18.7057 176.8667 71 R 4.2025 8.3252 121.1765 57.9472 31.2504 178.5466 72 G 3.9498 7.7024 106.2142 45.3369 0.0000 171.9338 73 E 4.3212 8.5930 118.4542 55.7096 30.8333 175.7299 74 L 4.6292 7.8567 120.3268 53.9227 45.6211 175.2744 75 K 4.1492 8.4510 116.7589 58.1757 32.7295 175.7633 76 H 5.0982 7.6003 113.9603 54.1606 32.0141 171.9030 77 T 4.3865 8.2562 116.4271 62.9114 69.6005 175.8547 78 S 4.4613 8.1888 122.3443 57.9659 65.4068 174.6244 79 C 4.0036 8.2313 120.1853 62.6435 27.9406 176.0700 80 L 3.8601 7.7451 120.3673 58.6159 41.3035 178.9676 81 A 3.9984 7.8683 120.5076 54.5812 18.1871 178.4979 82 C 3.7807 8.4828 115.1073 62.9742 31.7321 176.1211 83 H 4.2187 8.4817 117.5447 59.1656 28.3195 177.1298 84 S 4.1327 8.2417 114.5997 61.7148 61.9456 176.5691 85 K 4.0456 7.8216 119.5743 59.4083 31.9249 179.2225 86 V 3.6821 8.5538 119.8609 65.9692 31.5793 178.3644 87 V 3.6727 8.9023 113.1525 64.0914 31.2110 178.1533 88 A 3.9886 7.3394 119.7941 55.3531 18.0950 178.8277 89 E 4.4382 8.3737 115.7571 56.8353 31.2639 176.7014 90 K 4.4669 7.7734 119.0049 53.8699 32.2886 174.5043 91 P 4.4956 0.0000 0.0000 63.2180 31.3288 177.0231 92 E 4.4107 7.9442 117.1289 56.5827 30.0823 176.3581 93 L 4.5861 7.6481 118.2420 54.0263 42.8561 178.0667 94 K 3.4284 7.9967 121.2323 59.1497 32.0247 177.7615 95 K 4.4834 8.0284 115.7097 57.4245 33.3702 177.4199 96 D 4.6033 7.8880 118.5840 55.7074 43.6934 176.9668 97 L 4.7174 9.0684 119.2778 52.8110 41.4076 177.8751 98 T 5.0956 7.7914 128.1804 64.9664 68.7626 174.3480 99 G 3.8178 7.8453 110.8737 46.4573 0.0000 173.1166 100 C 4.2345 8.9863 122.2588 62.1512 28.6160 173.6994 101 A 4.5748 7.7312 120.5744 51.1406 20.9415 176.0853 102 K 3.7725 8.7436 122.4174 57.7478 29.9315 174.1118 103 S 5.1090 8.5497 114.3413 54.9161 66.4148 175.7924 104 K 4.0160 8.0267 119.1387 59.1602 31.3312 177.7022 105 C 4.2290 6.9997 114.8706 61.0576 29.0694 173.2075 106 H 4.6393 8.5471 120.2930 54.3312 28.7485 174.2529 107 P 4.4719 0.0000 0.0000 62.8455 31.4720 175.8341 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 A 8.25 4.25 1.10 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 2 P 0.00 3.87 0.00 2.02 1.89 0.00 2.58 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.18 0.00 3 A 7.92 4.30 1.21 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 0.00 0.00 0.00 4 V 8.36 3.54 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 0.70 0.00 0.00 0.95 0.00 0.00 5 P 0.00 4.26 0.00 1.99 2.05 0.00 3.30 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.01 0.00 6 D 8.23 4.66 0.00 2.77 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 7 K 7.78 4.10 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.41 7.81 8 P 0.00 4.46 0.00 1.95 2.04 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 9 V 8.52 4.53 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 0.88 0.00 0.00 1.19 0.00 0.00 10 E 8.79 4.56 0.00 1.88 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 2.33 2.27 0.00 11 V 7.42 4.34 2.22 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 0.68 0.00 0.00 0.91 0.00 0.00 12 K 7.96 4.18 0.00 1.79 1.79 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 13 G 7.85 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 14 S 9.12 4.30 0.00 4.01 4.03 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 15 Q 7.59 4.60 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 16 K 8.03 4.72 0.00 1.86 1.69 0.00 1.53 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.52 7.81 17 T 8.41 4.67 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 1.31 0.00 0.00 18 V 8.31 4.37 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 1.11 0.00 0.00 0.91 0.00 0.00 19 M 8.68 4.52 0.00 2.09 2.09 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 2.58 2.56 0.00 20 F 9.10 4.87 0.00 3.01 2.95 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 21 P 0.00 4.70 0.00 2.04 1.90 0.00 3.21 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 22 H 8.74 4.37 0.00 3.36 3.42 0.00 5.85 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 23 A 8.18 3.81 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 24 P 0.00 4.10 0.00 1.77 2.00 0.00 3.48 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.11 0.00 25 H 7.92 4.93 0.00 3.22 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.54 4.35 0.00 2.02 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 0.00 2.34 2.27 0.00 27 K 8.01 4.12 0.00 1.77 1.91 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.42 7.81 28 V 7.67 3.70 2.17 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 0.80 0.00 0.00 0.97 0.00 0.00 29 E 8.85 4.16 0.00 2.09 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 2.43 2.37 0.00 30 C 8.70 4.35 0.00 3.11 3.17 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 0.00 31 V 7.64 3.58 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 0.91 0.00 0.00 0.91 0.00 0.00 32 T 7.58 3.98 4.50 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 1.22 0.00 0.00 33 C 7.93 4.27 0.00 2.87 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 34 H 8.53 4.41 0.00 3.13 2.80 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 35 H 7.57 4.27 0.00 2.71 2.97 0.00 5.73 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.28 3.93 0.00 1.66 1.64 0.92 0.79 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 37 V 9.06 4.19 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 1.17 0.00 0.00 0.89 0.00 0.00 38 D 9.75 4.51 0.00 2.80 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 39 G 8.45 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 40 K 8.08 4.65 0.00 1.93 1.65 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.50 7.81 41 E 8.64 4.22 0.00 1.98 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 2.48 2.50 0.00 42 S 7.86 4.78 0.00 3.73 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 43 Y 8.01 4.41 0.00 2.92 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 44 A 7.96 4.47 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 45 K 7.85 4.16 0.00 1.77 1.77 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.43 7.81 46 C 8.87 4.20 0.00 2.93 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 47 G 7.75 4.86 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 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.51 4.51 0.00 3.90 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 49 S 8.55 4.09 0.00 3.86 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 50 G 8.95 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 0.00 0.00 0.00 0.00 51 C 8.20 4.53 0.00 2.96 2.64 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 52 H 8.36 4.94 0.00 3.50 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.87 4.27 0.00 2.78 2.81 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 54 D 8.19 4.36 0.00 2.74 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 55 L 8.56 4.73 0.00 1.68 1.71 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.96 4.19 4.33 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 1.18 0.00 0.00 57 A 8.91 3.97 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 58 K 7.98 4.08 0.00 1.64 1.74 0.00 1.46 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.97 0.85 7.81 59 K 7.46 3.75 0.00 1.56 1.35 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.19 1.29 7.81 60 G 7.25 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.78 4.51 0.00 2.18 2.20 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 2.31 2.35 0.00 62 K 8.02 4.49 0.00 1.83 1.84 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.40 7.81 63 S 7.93 5.13 0.00 4.25 4.09 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 64 L 9.30 4.18 0.00 1.77 1.77 0.88 0.94 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 65 Y 8.20 4.20 0.00 3.08 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 66 Y 7.88 4.53 0.00 3.23 3.29 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 67 V 7.28 4.27 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 0.59 0.00 0.00 0.90 0.00 0.00 68 V 7.35 4.36 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 0.32 0.00 0.00 0.85 0.00 0.00 69 H 7.86 4.53 0.00 2.77 3.16 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.69 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.33 4.20 0.00 1.77 1.96 0.00 3.41 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 72 G 7.70 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 73 E 8.59 4.32 0.00 2.09 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 2.29 2.34 0.00 74 L 7.86 4.63 0.00 1.64 1.43 0.70 0.40 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 75 K 8.45 4.15 0.00 1.43 1.65 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.32 7.81 76 H 7.60 5.10 0.00 3.02 3.14 0.00 5.68 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 77 T 8.26 4.39 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 1.18 0.00 0.00 78 S 8.19 4.46 0.00 3.73 3.62 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 79 C 8.23 4.00 0.00 2.77 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 80 L 7.75 3.86 0.00 1.68 1.70 0.93 0.58 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 81 A 7.87 4.00 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 82 C 8.48 3.78 0.00 3.01 2.94 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 0.00 0.00 0.00 83 H 8.48 4.22 0.00 3.39 3.58 0.00 5.71 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 84 S 8.24 4.13 0.00 4.03 4.07 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 85 K 7.82 4.05 0.00 1.93 1.86 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.44 7.81 86 V 8.55 3.68 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 1.10 0.00 0.00 0.98 0.00 0.00 87 V 8.90 3.67 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 0.92 0.00 0.00 1.01 0.00 0.00 88 A 7.34 3.99 1.38 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 0.00 0.00 89 E 8.37 4.44 0.00 2.05 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 2.30 2.33 0.00 90 K 7.77 4.47 0.00 1.77 1.69 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.35 7.81 91 P 0.00 4.50 0.00 2.04 2.08 0.00 3.66 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 2.02 2.10 0.00 92 E 7.94 4.41 0.00 1.92 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 2.24 2.37 0.00 93 L 7.65 4.59 0.00 1.82 1.62 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.00 3.43 0.00 1.78 1.97 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.45 7.81 95 K 8.03 4.48 0.00 2.03 2.03 0.00 1.38 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.51 7.81 96 D 7.89 4.60 0.00 2.91 2.64 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 97 L 9.07 4.72 0.00 1.42 1.43 0.67 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.79 5.10 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 1.25 0.00 0.00 99 G 7.85 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 0.00 100 C 8.99 4.23 0.00 3.00 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 0.00 101 A 7.73 4.57 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 0.00 102 K 8.74 3.77 0.00 1.89 1.87 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.48 7.81 103 S 8.55 5.11 0.00 4.04 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 0.00 104 K 8.03 4.02 0.00 1.97 1.91 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.54 7.81 105 C 7.00 4.23 0.00 2.98 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 0.00 106 H 8.55 4.64 0.00 3.40 3.25 0.00 5.60 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.47 0.00 2.19 2.04 0.00 3.86 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.