NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4021 8.3049 120.3458 55.3238 34.0692 176.3065 2 N 4.3615 7.8591 114.2425 52.7981 39.4051 173.9543 3 A 3.8400 7.7602 122.2808 51.4920 19.4360 175.3003 4 P 4.3628 0.0000 0.0000 62.7109 32.2065 175.1093 5 D 4.4402 8.5024 118.1694 53.2183 41.7862 177.8679 6 R 3.8585 8.7491 123.9226 59.5932 29.9024 178.4820 7 F 4.2878 7.9045 108.2796 58.0464 37.4147 175.2293 8 E 4.3747 7.6336 119.9043 56.7890 29.0879 177.0024 9 L 4.6328 7.3654 118.9906 55.4681 42.4632 177.4781 10 F 4.9468 7.5253 109.3055 56.0817 40.0486 174.3499 11 L 4.3274 6.8545 121.3584 52.9908 41.7777 176.6389 12 L 4.0693 8.4619 124.3652 54.7869 42.2579 177.3892 13 G 4.0132 8.2277 111.3777 43.6000 0.0000 172.6178 14 E 3.7264 8.8458 118.4882 57.9392 29.5870 177.3790 15 G 3.9561 8.6187 112.4181 45.4656 0.0000 171.6128 16 E 4.7190 7.6279 119.3109 55.8082 33.8728 174.9813 17 S 4.8078 8.1272 116.3832 56.2792 66.6952 174.3190 18 K 4.0305 8.7174 122.3794 59.1672 32.6833 176.6912 19 L 4.9913 7.5557 116.5802 51.9950 45.1759 176.5784 20 K 4.3439 8.0183 121.7659 55.5312 35.5165 174.4091 21 I 4.8575 8.4231 128.6135 59.7722 39.3124 174.5876 22 D 5.0709 8.6584 127.7796 51.5671 43.6458 173.9668 23 P 4.7128 0.0000 0.0000 62.1302 32.0382 175.6010 24 D 4.5493 8.3231 124.8590 54.6329 41.0477 176.1237 25 T 4.3669 8.5984 115.0332 62.4769 70.2463 175.7587 26 K 3.8896 8.1016 121.4361 59.1471 32.2051 176.3248 27 A 4.7390 7.6130 117.9888 49.5718 22.3285 173.3854 28 P 4.4223 0.0000 0.0000 63.2138 32.2860 175.7670 29 N 3.9286 8.6244 114.2309 53.7621 36.7152 172.1708 30 A 4.8549 7.2808 120.5638 51.0539 22.9281 174.7864 31 V 4.5374 8.8693 118.9527 61.4367 36.3830 174.5073 32 V 4.8343 8.6413 122.6641 61.2391 33.7548 173.6915 33 I 4.6478 8.9442 129.9837 60.1892 38.8647 175.1316 34 T 4.7414 8.8824 125.2930 62.3531 70.0919 173.9335 35 F 4.4782 9.1170 126.9054 56.2669 40.1985 175.3559 36 E 4.5847 9.1017 124.1638 55.0266 30.9309 176.4505 37 K 3.9421 8.4465 119.7257 57.1831 29.6380 172.5560 38 E 4.8522 7.4224 115.9823 56.1414 34.4614 173.4281 39 D 4.7553 8.6964 115.7563 54.0227 41.8754 174.8730 40 H 4.1051 9.0164 114.6253 60.2339 28.6922 177.6254 41 T 3.7196 7.5126 113.4340 66.3896 68.8335 175.3013 42 L 4.3234 7.9654 122.0045 57.4749 42.4867 178.1135 43 G 2.7958 8.1948 106.9367 46.5078 0.0000 174.7536 44 N 3.1400 7.7262 118.8985 55.6120 39.1274 176.8357 45 L 3.7859 7.5207 120.5962 58.3583 42.3024 178.7748 46 I 3.8370 7.4680 118.5011 63.0568 36.6980 178.2079 47 R 3.8943 7.0982 119.0010 58.7776 30.3262 177.6987 48 A 4.0035 7.9143 120.7067 55.2975 18.4651 179.1794 49 E 3.8334 7.9228 116.2301 59.6877 29.4280 179.4982 50 L 4.0995 7.3532 116.9731 56.9821 42.2059 177.0714 51 L 4.3294 8.1029 119.0214 55.7251 42.5613 176.8130 52 N 4.4377 8.0741 115.2730 56.4191 38.7500 173.3121 53 D 4.4447 8.0557 121.6452 53.7653 40.5372 177.0037 54 R 3.8728 8.5413 124.9617 58.3591 30.6904 177.8444 55 K 4.1854 8.1249 116.6769 57.0654 32.4811 176.2757 56 V 4.2084 8.7140 120.8892 61.6928 30.7365 175.6588 57 L 4.3565 8.9292 129.7786 57.3018 42.3784 177.5584 58 F 5.1368 7.8122 119.3051 57.0396 43.1003 173.1618 59 A 4.8460 7.4662 121.7036 52.0387 21.5767 175.2365 60 A 4.7406 7.6278 123.2911 51.2042 23.1967 173.7932 61 Y 5.4381 8.4255 116.3220 55.8561 42.4258 173.7573 62 K 3.8568 8.3278 115.1010 56.1312 36.2026 174.9182 63 V 4.2621 7.9829 116.6321 60.2677 32.2598 176.2890 64 E 4.0745 8.9254 125.2932 59.5137 29.9173 177.1427 65 H 4.3301 7.9776 114.4922 54.3510 32.7541 172.1627 66 P 4.3013 0.0000 0.0000 66.1661 30.9555 177.1996 67 F 4.3535 8.6383 116.1732 59.5259 38.9266 175.3805 68 F 5.1334 7.9121 117.9451 55.4798 40.7388 175.0750 69 A 4.5764 8.7889 127.5530 52.4116 18.4428 176.7928 70 R 4.7831 8.3401 119.8307 57.4053 31.3033 173.2268 71 F 4.9933 7.9009 113.2195 56.3120 41.7676 172.6838 72 K 5.2389 8.8959 119.4495 54.7184 34.8808 175.1062 73 L 5.3834 9.2881 126.0898 53.3652 45.2892 174.7412 74 R 5.7586 9.1931 127.0653 54.0670 32.4119 174.5562 75 I 5.0281 8.4046 126.2883 59.5076 41.0140 174.1156 76 Q 5.0216 9.4260 127.5206 54.6068 32.3282 174.0450 77 T 5.8373 7.9476 115.0578 58.8622 72.7636 173.4129 78 T 4.1292 8.6107 118.1207 63.1457 69.4128 174.1686 79 E 3.7769 8.9621 126.5946 57.8891 30.1009 177.3688 80 G 3.9015 9.0478 111.0632 45.7924 0.0000 172.9616 81 Y 4.7707 7.6921 120.4944 54.5627 39.9957 173.7433 82 D 4.4566 8.5946 127.3492 53.4669 42.9438 174.8108 83 P 3.8947 0.0000 0.0000 65.6191 31.4657 178.5991 84 K 3.7987 9.3121 119.5343 59.6320 31.8868 178.7071 85 D 4.3457 8.1737 117.9386 57.3629 40.9407 178.3400 86 A 4.3331 7.2507 122.2047 54.4083 18.0452 179.2929 87 L 3.9098 8.0954 117.8478 59.2322 42.5030 178.6791 88 K 3.5446 8.2201 114.9787 60.2032 31.8208 178.3544 89 N 4.0986 8.3555 115.9286 57.0354 38.5998 176.9697 90 A 3.4258 8.1595 121.5732 55.4279 18.4283 179.4955 91 C 4.1302 8.6397 115.3109 62.6536 28.6402 175.4994 92 N 4.2333 8.1331 117.5807 56.6636 38.1257 176.7940 93 S 4.0899 8.8494 115.1993 61.8487 62.4847 176.4762 94 I 3.7270 7.3763 121.3805 64.2901 36.6891 178.4907 95 I 3.6799 8.2651 120.9938 64.3884 37.0390 177.8157 96 N 4.3440 8.6374 117.4667 56.6485 38.5176 177.2404 97 K 3.8696 8.1275 119.4150 59.8728 32.1787 179.2946 98 L 4.0930 7.8388 118.5017 57.6677 41.2959 179.5656 99 G 3.7886 8.5264 105.3001 48.0292 0.0000 175.2142 100 A 4.1126 8.1838 122.8792 54.7798 18.6085 179.1146 101 L 3.8758 8.0020 118.1587 58.4645 41.7946 179.4365 102 K 3.9870 8.5612 119.6884 60.4716 32.0609 178.1314 103 T 4.1468 8.3976 116.9353 65.5402 68.4542 175.9830 104 N 4.2664 8.2491 119.5468 56.3622 38.8281 177.2435 105 F 4.2539 8.2159 121.9636 61.3486 39.5917 177.0234 106 E 4.0232 8.1369 117.9766 60.1704 28.9072 178.8895 107 T 3.8380 8.1840 114.9947 67.6223 68.3325 176.0062 108 E 3.9150 7.8148 119.9189 59.1608 29.8681 179.2683 109 W 4.0158 7.8366 128.6082 60.3840 30.5394 177.9007 110 N 4.4012 8.4025 115.8285 56.0437 37.9632 176.0131 111 L 4.2543 7.2381 116.9509 55.0982 41.4746 176.5197 112 Q 4.4250 7.2875 117.9296 54.3163 30.7066 175.2018 113 T 4.2530 8.4166 116.0392 62.1526 70.7258 171.9899 114 L 3.7886 8.6365 123.0121 53.1531 42.3630 173.6654 *115 A 4.1104 8.4254 126.9291 52.3974 18.8106 175.8801 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 M 8.30 4.40 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 2 N 7.86 4.36 0.00 2.82 2.84 0.00 0.00 6.84 6.46 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 3 A 7.76 3.84 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 4 P 0.00 4.36 0.00 2.06 2.04 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.91 0.00 5 D 8.50 4.44 0.00 2.17 1.54 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 6 R 8.75 3.86 0.00 1.88 2.14 0.00 3.35 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 7 F 7.90 4.29 0.00 2.78 3.30 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 8 E 7.63 4.37 0.00 1.80 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 2.11 1.71 0.00 9 L 7.37 4.63 0.00 2.21 1.95 1.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 10 F 7.53 4.95 0.00 3.15 3.07 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 11 L 6.85 4.33 0.00 1.69 1.56 0.86 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.46 4.07 0.00 1.60 1.58 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.23 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.85 3.73 0.00 1.95 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 2.31 2.32 0.00 15 G 8.62 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 16 E 7.63 4.72 0.00 1.89 1.77 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 2.18 2.28 0.00 17 S 8.13 4.81 0.00 3.86 3.68 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 18 K 8.72 4.03 0.00 1.63 1.83 0.00 1.70 0.00 0.00 2.00 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.47 7.81 19 L 7.56 4.99 0.00 1.32 1.27 0.70 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.02 4.34 0.00 1.69 1.52 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.42 7.81 21 I 8.42 4.86 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 0.88 0.00 0.00 22 D 8.66 5.07 0.00 2.59 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 23 P 0.00 4.71 0.00 2.08 2.08 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 24 D 8.32 4.55 0.00 2.81 2.66 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 25 T 8.60 4.37 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 26 K 8.10 3.89 0.00 1.97 1.94 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.58 7.81 27 A 7.61 4.74 1.17 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 0.00 0.00 28 P 0.00 4.42 0.00 2.20 2.06 0.00 3.92 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 1.99 1.95 0.00 29 N 8.62 3.93 0.00 2.86 2.80 0.00 0.00 6.78 8.15 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 30 A 7.28 4.85 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 31 V 8.87 4.54 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 0.99 0.00 0.00 0.92 0.00 0.00 32 V 8.64 4.83 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 0.98 0.00 0.00 0.99 0.00 0.00 33 I 8.94 4.65 2.00 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 1.16 0.58 0.30 0.00 0.00 34 T 8.88 4.74 4.16 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 1.17 0.00 0.00 35 F 9.12 4.48 0.00 1.51 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.10 4.58 0.00 1.86 1.84 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 2.23 2.37 0.00 37 K 8.45 3.94 0.00 1.87 1.80 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.37 1.38 7.81 38 E 7.42 4.85 0.00 1.94 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 0.00 2.53 2.41 0.00 39 D 8.70 4.76 0.00 2.83 2.89 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 40 H 9.02 4.11 0.00 3.23 3.42 0.00 5.93 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 41 T 7.51 3.72 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 42 L 7.97 4.32 0.00 1.81 1.77 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.19 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 0.00 0.00 0.00 44 N 7.73 3.14 0.00 2.62 2.73 0.00 0.00 7.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.52 3.79 0.00 1.76 1.68 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.47 3.84 1.73 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 1.38 1.11 0.95 0.00 0.00 47 R 7.10 3.89 0.00 1.42 1.70 0.00 3.27 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 1.43 1.51 0.00 48 A 7.91 4.00 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 49 E 7.92 3.83 0.00 2.13 2.01 0.00 0.00 0.00 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 2.46 0.00 50 L 7.35 4.10 0.00 1.90 1.74 0.91 0.97 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 51 L 8.10 4.33 0.00 1.67 1.78 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.07 4.44 0.00 2.89 2.85 0.00 0.00 6.82 7.55 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 53 D 8.06 4.44 0.00 2.73 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 54 R 8.54 3.87 0.00 1.84 2.03 0.00 3.26 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 55 K 8.12 4.19 0.00 2.25 2.20 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.37 1.17 7.81 56 V 8.71 4.21 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 0.87 0.00 0.00 1.07 0.00 0.00 57 L 8.93 4.36 0.00 1.67 1.79 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 58 F 7.81 5.14 0.00 3.10 2.90 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 0.00 0.00 0.00 59 A 7.47 4.85 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 4.74 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 61 Y 8.43 5.44 0.00 3.07 2.86 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 62 K 8.33 3.86 0.00 1.68 1.78 0.00 1.29 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.26 1.33 7.81 63 V 7.98 4.26 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 0.42 0.00 0.00 0.83 0.00 0.00 64 E 8.93 4.07 0.00 2.02 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 2.35 2.30 0.00 65 H 7.98 4.33 0.00 2.98 2.77 0.00 5.90 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.30 0.00 2.32 2.20 0.00 3.21 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 67 F 8.64 4.35 0.00 2.22 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 68 F 7.91 5.13 0.00 3.10 2.86 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 69 A 8.79 4.58 1.36 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 70 R 8.34 4.78 0.00 2.00 1.99 0.00 3.22 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 71 F 7.90 4.99 0.00 3.09 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 72 K 8.90 5.24 0.00 1.84 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.42 7.81 73 L 9.29 5.38 0.00 2.19 1.98 1.04 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 74 R 9.19 5.76 0.00 2.01 1.89 0.00 3.44 0.00 0.00 3.61 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.75 0.00 75 I 8.40 5.03 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.54 0.88 0.00 0.00 76 Q 9.43 5.02 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 77 T 7.95 5.84 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 1.10 0.00 0.00 78 T 8.61 4.13 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 1.26 0.00 0.00 79 E 8.96 3.78 0.00 1.95 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 2.34 2.38 0.00 80 G 9.05 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 7.69 4.77 0.00 2.80 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 82 D 8.59 4.46 0.00 2.74 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 83 P 0.00 3.89 0.00 2.22 2.18 0.00 3.69 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 2.00 2.00 0.00 84 K 9.31 3.80 0.00 1.76 1.90 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.55 7.81 85 D 8.17 4.35 0.00 2.93 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 86 A 7.25 4.33 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 87 L 8.10 3.91 0.00 1.62 1.95 1.09 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.22 3.54 0.00 2.20 1.77 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.69 7.81 89 N 8.36 4.10 0.00 2.75 2.90 0.00 0.00 7.05 7.40 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 90 A 8.16 3.43 1.43 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 0.00 0.00 0.00 91 C 8.64 4.13 0.00 3.09 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.13 4.23 0.00 2.93 2.91 0.00 0.00 6.66 7.57 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 93 S 8.85 4.09 0.00 3.89 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 94 I 7.38 3.73 2.04 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 1.50 1.07 0.90 0.00 0.00 95 I 8.27 3.68 2.01 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 1.53 1.19 0.92 0.00 0.00 96 N 8.64 4.34 0.00 2.81 2.89 0.00 0.00 7.11 7.30 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 97 K 8.13 3.87 0.00 1.94 1.88 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.80 7.81 98 L 7.84 4.09 0.00 1.97 1.70 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.53 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 0.00 0.00 0.00 100 A 8.18 4.11 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 0.00 101 L 8.00 3.88 0.00 1.91 1.80 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.56 3.99 0.00 1.82 1.81 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.47 7.81 103 T 8.40 4.15 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 104 N 8.25 4.27 0.00 2.79 2.96 0.00 0.00 6.54 8.13 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 0.00 105 F 8.22 4.25 0.00 3.26 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 0.00 106 E 8.14 4.02 0.00 2.26 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 0.00 2.47 2.73 0.00 107 T 8.18 3.84 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 1.21 0.00 0.00 108 E 7.81 3.91 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 2.32 2.45 0.00 109 W 7.84 4.02 0.00 2.95 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 0.00 110 N 8.40 4.40 0.00 2.86 2.87 0.00 0.00 7.12 7.55 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 0.00 111 L 7.24 4.25 0.00 1.55 1.62 0.89 0.80 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 0.00 112 Q 7.29 4.43 0.00 1.49 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 6.62 0.00 0.00 0.00 0.00 0.00 2.33 2.11 0.00 113 T 8.42 4.25 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 1.14 0.00 0.00 114 L 8.64 3.79 0.00 1.60 1.79 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 *115 A 8.43 4.11 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 * Residues marked with a * may have inaccurate shift predictions.