NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5147 8.1749 117.3739 63.6965 70.0671 173.0211 2 T 4.5314 9.4190 121.9314 60.0869 71.7757 171.3973 3 I 5.1469 9.2658 121.0200 59.2555 41.2734 174.6240 4 V 4.6550 8.7894 116.1598 60.0334 36.6801 174.2882 5 G 4.5016 8.4829 107.7010 44.8741 0.0000 172.5314 6 V 4.5815 8.9877 123.5268 61.3396 35.0663 173.8909 7 K 4.9072 8.8245 127.6964 55.6869 33.6741 175.8495 8 F 5.0841 8.4164 117.8527 54.2537 41.2047 175.2738 9 N 4.2104 9.1061 117.6652 55.7868 36.5881 175.0362 10 N 4.8869 7.8045 113.9156 51.8461 40.5604 174.3912 11 G 3.5788 5.8656 103.7732 45.2440 0.0000 172.5873 12 V 5.0311 8.0946 119.5009 60.2328 34.6300 175.0404 13 V 4.7921 9.3169 122.3369 59.9871 34.7358 174.3522 14 I 5.2082 8.3940 114.8103 59.4242 40.8962 173.8279 15 A 4.8725 8.6394 123.7467 51.0783 23.1719 174.5362 16 A 5.6103 8.4134 118.2788 52.1897 22.1461 176.2099 17 D 4.7774 8.5522 119.9918 52.4224 41.7884 176.1765 18 T 4.7971 8.1949 106.3068 61.5660 70.3023 172.9146 19 R 4.7568 8.4180 122.1875 55.8646 31.5577 175.4108 20 S 4.9861 8.9358 120.2840 56.7202 65.5141 172.7048 21 T 5.1616 8.4474 114.9136 60.2976 72.5587 173.8409 22 Q 4.3190 8.7105 121.1486 54.7662 31.4852 176.2458 23 G 3.8800 8.2071 116.1504 46.4597 0.0000 171.1543 24 P 4.6473 0.0000 0.0000 62.2643 31.7795 175.0519 25 I 4.2970 7.4296 120.9664 59.6385 38.5682 175.1187 26 V 4.1130 8.2805 124.8621 62.6439 31.6760 175.5384 27 A 4.1839 8.9951 131.9078 54.4057 18.9256 177.2379 28 D 4.6774 7.6768 114.7664 52.7782 43.9098 175.6678 29 K 4.2629 8.7339 125.0888 57.9526 33.1956 176.7685 30 N 5.2706 8.7146 117.6193 52.5912 38.2071 172.9317 31 C 4.6075 8.4883 116.0199 57.4601 32.4540 174.7533 32 A 4.6047 8.4046 121.2260 50.4742 19.6968 176.6439 33 K 4.3297 8.7104 120.9133 56.8971 33.6415 176.0195 34 L 5.0525 7.7478 121.0935 53.5367 43.0698 175.4899 35 H 4.9470 9.6159 121.9109 53.8327 32.3225 173.1407 36 R 3.1645 7.8728 122.2303 54.7563 30.2767 176.0428 37 I 3.8868 8.3660 128.7948 63.4595 37.9523 175.8549 38 S 4.5746 7.3337 112.4317 56.2439 65.5969 173.0048 39 P 4.3476 0.0000 0.0000 65.3642 31.2840 177.7621 40 K 4.8017 8.1523 115.0988 55.9095 32.9905 175.0030 41 I 4.7788 7.9736 120.4775 59.6978 40.0026 174.6333 42 W 5.0607 9.1480 127.0903 54.8781 32.7622 174.6769 43 C 5.3189 9.6023 122.0558 57.7517 34.6555 172.3479 44 A 5.0658 9.2501 128.5457 50.4913 20.4474 175.7982 45 G 4.5272 9.0441 110.4186 44.4436 0.0000 172.2666 46 A 4.8546 9.5020 124.9389 49.6658 22.9751 175.1922 47 G 4.1502 9.0202 103.0772 44.7786 0.0000 176.3566 48 T 4.0655 9.6984 124.2357 63.1112 67.7766 174.9999 49 A 3.8272 8.3607 127.8675 55.6817 18.4017 178.5909 50 A 3.9671 8.0310 117.4730 55.2678 18.5213 179.5800 51 D 4.2297 8.0013 117.1077 57.6169 41.0498 178.8013 52 T 3.8316 7.9447 110.3439 64.7005 68.6485 176.0019 53 E 3.6478 8.1977 122.0290 58.7960 29.6489 178.5918 54 A 3.9210 8.1695 121.1991 55.2397 18.4850 180.0605 55 V 3.4560 7.8184 117.5892 65.1102 31.4192 178.7822 56 T 3.8247 7.8724 116.4995 66.4354 68.2518 176.8094 57 Q 3.9004 8.1991 120.1821 58.5494 28.7771 178.1720 58 L 3.8425 7.9714 121.4983 58.4760 42.1004 179.2755 59 I 3.8013 7.7452 119.7484 64.0229 36.9681 178.6544 60 G 3.5765 7.9913 106.7703 48.2017 0.0000 175.5689 61 S 4.0765 8.4684 116.1900 61.2952 62.3501 176.1347 62 N 4.4128 8.2731 118.9570 56.1063 38.1883 177.6198 63 I 3.6861 8.0290 121.9986 64.1155 37.1263 177.9242 64 E 3.9032 8.2557 120.1503 59.3648 29.4894 178.8212 65 L 3.9997 7.8987 118.9435 58.1063 41.5981 179.0578 66 H 4.1114 8.5061 118.3064 59.1847 29.8085 177.1171 67 S 4.2061 8.5904 115.3198 61.6078 62.0278 176.1747 68 L 4.0150 7.8942 120.2088 58.0435 41.4217 178.6650 69 Y 4.0823 8.1670 118.8848 60.1586 38.8663 177.0455 70 T 4.3454 8.2299 108.3778 60.7837 69.6704 174.7159 71 S 3.7976 8.2014 116.6974 59.8156 61.0443 171.9504 72 R 4.7745 7.7282 116.0509 53.9513 33.7126 175.3529 73 E 4.1855 8.5500 119.4974 55.5447 30.1493 175.6601 74 P 4.4636 0.0000 0.0000 62.7520 32.4602 175.9295 75 R 4.8190 8.1296 119.4455 54.2630 32.7084 177.5912 76 V 3.6333 8.9714 121.2812 66.3688 31.3836 179.0643 77 V 3.6488 7.7890 111.6255 64.4260 31.3380 178.5529 78 S 4.0518 7.9177 114.3305 61.4713 62.5927 176.5417 79 A 3.9458 7.9012 122.9895 55.0037 18.2096 179.1793 80 L 3.8647 8.0310 118.9029 58.3753 42.1530 179.1061 81 Q 3.9573 8.2971 119.5614 59.3910 28.8956 177.9198 82 M 4.0884 8.1857 119.8294 58.2136 31.9322 178.7777 83 L 3.9830 8.1747 119.5174 57.6402 41.8384 179.5159 84 K 3.9822 8.0602 118.6892 60.4490 32.4079 179.1066 85 Q 4.0918 8.2186 119.2794 58.5076 28.3032 178.3472 86 H 4.2264 7.8935 118.7574 59.4474 30.0687 177.0107 87 L 4.1693 8.4565 121.2476 57.8092 41.3290 179.4464 88 F 4.0586 8.7653 121.1367 61.0266 39.1439 177.0746 89 K 3.8130 8.1162 118.3765 59.1081 32.0105 177.2149 90 Y 4.2645 7.5236 115.1568 56.3324 37.7295 175.5759 91 Q 2.9644 7.8073 118.3428 56.8301 26.3753 175.7039 *93 G 3.9564 7.8236 103.1474 45.3592 0.0000 175.0715 94 H 4.3196 8.6276 117.7928 57.7973 28.8435 175.7339 95 I 4.1318 6.9163 117.2858 59.7536 36.5892 177.1948 96 G 4.0538 8.8836 119.3456 46.1488 0.0000 170.9358 97 A 5.1566 7.3580 119.5906 50.2718 22.0181 177.4275 98 Y 4.6339 8.8555 118.9349 56.2838 41.5024 174.7287 99 L 5.3900 8.7031 122.8524 53.0457 46.5176 175.9328 100 I 4.6061 8.7912 122.0944 59.6517 39.6746 174.9262 101 V 4.9056 8.5519 126.7938 59.8928 33.4278 174.8059 102 A 4.8194 10.0081 125.5816 49.3982 23.3995 174.9507 103 G 4.3899 7.6492 108.0769 45.4118 0.0000 172.0786 104 V 4.5402 7.7320 112.6667 59.4763 34.4777 176.1352 105 D 4.2877 8.4305 121.7164 53.8198 39.1196 175.0016 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 T 8.17 4.51 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 1.23 0.00 0.00 2 T 9.42 4.53 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 3 I 9.27 5.15 1.91 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 1.39 0.99 0.94 0.00 0.00 4 V 8.79 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 0.75 0.00 0.00 0.94 0.00 0.00 5 G 8.48 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 0.00 0.00 0.00 0.00 6 V 8.99 4.58 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 1.03 0.00 0.00 0.96 0.00 0.00 7 K 8.82 4.91 0.00 1.68 1.65 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.37 7.81 8 F 8.42 5.08 0.00 3.20 3.11 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 0.00 0.00 0.00 0.00 9 N 9.11 4.21 0.00 2.87 3.11 0.00 0.00 5.68 8.04 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 10 N 7.80 4.89 0.00 2.68 2.92 0.00 0.00 6.79 7.98 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 11 G 5.87 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.09 5.03 2.03 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 0.78 0.00 0.00 1.02 0.00 0.00 13 V 9.32 4.79 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 1.12 0.00 0.00 0.92 0.00 0.00 14 I 8.39 5.21 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 0.97 0.00 0.00 15 A 8.64 4.87 1.22 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 0.00 0.00 16 A 8.41 5.61 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 17 D 8.55 4.78 0.00 2.70 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 18 T 8.19 4.80 4.44 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 1.22 0.00 0.00 19 R 8.42 4.76 0.00 1.86 2.02 0.00 3.20 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 20 S 8.94 4.99 0.00 3.92 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 21 T 8.45 5.16 4.40 0.00 0.00 0.00 0.00 0.00 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 22 Q 8.71 4.32 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.70 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 23 G 8.21 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 24 P 0.00 4.65 0.00 2.18 2.15 0.00 3.75 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 1.93 1.97 0.00 25 I 7.43 4.30 1.99 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 1.18 0.59 0.91 0.00 0.00 26 V 8.28 4.11 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 0.83 0.00 0.00 0.93 0.00 0.00 27 A 9.00 4.18 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 28 D 7.68 4.68 0.00 2.66 2.47 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 0.00 0.00 0.00 0.00 29 K 8.73 4.26 0.00 1.79 1.84 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.42 7.81 30 N 8.71 5.27 0.00 2.67 2.68 0.00 0.00 7.14 8.46 0.00 0.00 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 C 8.49 4.61 0.00 3.05 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 32 A 8.40 4.60 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 33 K 8.71 4.33 0.00 1.73 2.01 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.48 7.81 34 L 7.75 5.05 0.00 1.59 1.87 0.96 1.04 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 35 H 9.62 4.95 0.00 2.95 3.06 0.00 5.60 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 36 R 7.87 3.16 0.00 0.67 1.15 0.00 3.13 0.00 0.00 3.05 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.76 0.00 37 I 8.37 3.89 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.90 0.85 0.00 0.00 38 S 7.33 4.57 0.00 3.94 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 39 P 0.00 4.35 0.00 2.12 2.27 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 40 K 8.15 4.80 0.00 1.85 1.84 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.51 7.81 41 I 7.97 4.78 1.84 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 1.26 1.12 1.00 0.00 0.00 42 W 9.15 5.06 0.00 3.32 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 43 C 9.60 5.32 0.00 2.94 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 44 A 9.25 5.07 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 45 G 9.04 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 0.00 0.00 0.00 0.00 46 A 9.50 4.85 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 47 G 9.02 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 9.70 4.07 4.38 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 1.22 0.00 0.00 49 A 8.36 3.83 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 50 A 8.03 3.97 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 51 D 8.00 4.23 0.00 2.91 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 52 T 7.94 3.83 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 1.37 0.00 0.00 53 E 8.20 3.65 0.00 2.07 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 2.28 2.32 0.00 54 A 8.17 3.92 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 55 V 7.82 3.46 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 0.82 0.00 0.00 0.85 0.00 0.00 56 T 7.87 3.82 4.37 0.00 0.00 0.00 0.00 0.00 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 57 Q 8.20 3.90 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 58 L 7.97 3.84 0.00 1.66 1.68 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.75 3.80 1.93 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.34 0.86 0.00 0.00 60 G 7.99 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.47 4.08 0.00 3.84 4.08 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 0.00 0.00 0.00 62 N 8.27 4.41 0.00 2.87 2.82 0.00 0.00 7.09 6.74 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 63 I 8.03 3.69 2.05 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.76 0.90 0.00 0.00 64 E 8.26 3.90 0.00 2.02 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 0.00 2.31 2.36 0.00 65 L 7.90 4.00 0.00 1.90 1.73 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.51 4.11 0.00 3.23 3.45 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.59 4.21 0.00 4.01 4.05 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 0.00 0.00 0.00 68 L 7.89 4.01 0.00 1.93 1.76 0.94 0.77 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 69 Y 8.17 4.08 0.00 3.07 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 70 T 8.23 4.35 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 1.21 0.00 0.00 71 S 8.20 3.80 0.00 4.03 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 72 R 7.73 4.77 0.00 1.76 1.80 0.00 3.23 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.83 0.00 73 E 8.55 4.19 0.00 1.98 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 2.29 0.00 74 P 0.00 4.46 0.00 2.05 1.99 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 75 R 8.13 4.82 0.00 1.85 1.81 0.00 3.15 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 76 V 8.97 3.63 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 1.05 0.00 0.00 1.08 0.00 0.00 77 V 7.79 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 0.75 0.00 0.00 0.93 0.00 0.00 78 S 7.92 4.05 0.00 4.02 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 79 A 7.90 3.95 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 80 L 8.03 3.86 0.00 1.90 1.88 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.30 3.96 0.00 2.34 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 82 M 8.19 4.09 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 83 L 8.17 3.98 0.00 1.72 1.71 0.93 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 84 K 8.06 3.98 0.00 2.01 2.18 0.00 1.26 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.49 7.81 85 Q 8.22 4.09 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 86 H 7.89 4.23 0.00 3.24 3.57 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.46 4.17 0.00 1.86 1.71 0.87 0.87 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 88 F 8.77 4.06 0.00 3.22 3.21 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 89 K 8.12 3.81 0.00 2.01 2.00 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.07 1.36 7.81 90 Y 7.52 4.26 0.00 2.96 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 91 Q 7.81 2.96 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.51 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 *93 G 7.82 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 0.00 0.00 0.00 94 H 8.63 4.32 0.00 3.30 3.40 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 6.92 4.13 1.75 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.20 0.79 0.00 0.00 96 G 8.88 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.36 5.16 1.13 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 0.00 0.00 98 Y 8.86 4.63 0.00 3.01 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 99 L 8.70 5.39 0.00 1.50 1.68 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.79 4.61 1.93 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 1.33 0.92 0.96 0.00 0.00 101 V 8.55 4.91 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 0.74 0.00 0.00 0.96 0.00 0.00 102 A 10.01 4.82 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 0.00 103 G 7.65 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 0.00 104 V 7.73 4.54 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 0.75 0.00 0.00 0.97 0.00 0.00 105 D 8.43 4.29 0.00 2.78 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 * Residues marked with a * may have inaccurate shift predictions.