NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4634 8.3344 115.4134 57.4671 65.0204 173.0349 3 L 4.5801 7.6671 122.5447 52.9740 44.8779 173.7046 4 L 4.7479 9.0833 125.9256 52.7954 46.1311 175.6748 5 I 4.0092 8.5043 124.6447 61.5502 37.4250 175.4549 6 T 4.7138 8.5301 115.6920 62.1140 71.4876 174.3060 7 S 5.1700 7.9648 115.0202 57.0291 66.1895 173.5950 8 I 4.5711 8.8930 124.0806 59.9016 39.4885 174.6040 9 T 4.9091 8.5215 123.0639 61.6372 71.7259 173.3386 10 I 4.4042 8.1921 126.5241 59.4380 40.1771 174.4111 11 N 5.1376 8.7688 125.3870 52.9042 39.2032 174.6043 12 T 4.7229 9.4824 119.2770 60.1235 70.9482 174.1579 13 S 4.9365 8.5782 120.2383 57.8199 64.1868 173.9737 14 H 4.9954 8.0792 117.2025 54.2818 29.1646 174.2514 15 L 3.8746 7.9769 124.6860 58.6384 42.3580 177.9333 16 Q 4.0347 8.0615 117.3555 58.8664 28.6601 178.7937 17 G 3.6394 8.0215 106.3087 48.1166 0.0000 175.5811 18 M 4.2457 8.3463 121.3016 57.9697 31.9779 178.8130 19 L 3.8085 8.2978 119.7319 57.6731 41.6602 179.7720 20 G 3.6701 8.2299 105.5854 47.7424 0.0000 175.2331 21 F 3.8917 8.5094 123.4857 61.4137 39.4930 176.7155 22 Y 4.4213 8.6208 115.3412 60.0053 37.3619 178.2851 23 R 4.5935 8.2955 121.3801 58.9363 30.0034 178.8608 24 I 3.7132 7.3277 118.4641 64.3746 37.0929 178.2124 25 I 3.7091 7.2858 119.6674 63.5517 36.9731 175.9514 26 G 3.3139 6.6329 110.7115 44.9638 0.0000 173.0995 27 F 4.0666 8.1607 121.4571 56.9428 39.5611 174.6857 28 Q 4.7745 8.3139 123.7191 54.3631 29.7432 174.9172 29 F 4.9009 8.8598 123.1161 56.9723 40.6667 175.5051 30 T 4.7565 9.1083 119.6279 61.5650 70.7727 174.0305 31 A 4.1639 8.6400 128.0161 53.4614 19.3102 176.9343 32 S 3.7477 8.2678 116.9500 60.6432 61.3737 176.4012 *38 S 4.3302 8.7899 117.6715 58.5423 65.2280 174.1189 39 E 4.1712 8.5467 123.0186 56.2862 30.5319 175.7916 40 V 4.5469 8.1564 125.9874 60.0598 34.9802 174.0015 41 H 5.0514 8.7957 120.5205 54.0052 32.3828 172.6137 42 R 5.2222 9.1131 121.5336 54.3301 33.3287 174.4963 43 A 5.2257 9.3186 125.7002 49.9068 22.2152 175.2567 44 V 4.8665 8.4008 120.2594 60.1779 34.0798 174.7853 45 H 4.6456 9.4444 125.0692 55.4122 32.4925 172.7612 46 N 4.1905 9.7046 125.2526 54.4518 35.9060 175.4512 47 G 3.9410 8.4496 104.5019 45.3335 0.0000 173.6884 48 V 4.4888 7.5665 120.4168 61.1637 33.8503 174.0598 49 E 4.9118 9.4391 129.7569 55.2013 31.0518 174.5099 50 F 5.1937 9.7281 131.3934 57.1512 40.7378 174.4538 51 S 5.3380 8.5458 122.7476 56.6379 66.3016 173.4180 52 L 5.0322 8.6492 122.6385 53.2624 44.4822 174.9962 53 Y 4.9106 8.7874 121.9995 56.1569 40.5821 174.9820 54 S 4.8896 8.8089 119.6885 57.8829 63.1058 173.1046 55 I 4.7210 8.7863 120.3144 58.9384 41.1986 174.8785 56 Q 4.2931 8.4612 120.8768 54.6623 29.6450 175.8341 57 N 4.2363 8.6076 117.1925 53.4767 38.8082 174.4180 58 P 4.3981 0.0000 0.0000 63.1972 31.5738 178.4207 59 Q 3.7007 7.7846 114.0504 56.4533 27.6667 174.1675 60 R 4.4257 7.6749 115.7557 54.1344 31.3934 173.6302 61 S 4.2734 8.4455 118.0991 58.0014 63.3949 173.8179 62 Q 4.5989 8.3309 126.6436 53.6707 30.8415 174.8292 63 I 3.8656 8.1189 117.7493 59.9896 38.0976 174.3448 64 P 4.4662 0.0000 0.0000 62.5160 31.7826 176.6719 65 S 4.3890 8.4445 115.7751 59.8571 63.4448 174.3697 66 L 4.4590 7.7669 122.7030 54.4709 42.6733 175.8016 67 Q 4.9438 8.6893 123.8821 54.1274 32.1919 174.6389 68 L 4.7630 8.5497 122.0275 52.8005 45.6643 175.6294 69 G 4.3465 8.0779 107.6050 44.4551 0.0000 172.0164 70 F 5.1908 9.4382 123.0204 55.7021 43.1928 173.8675 71 Q 5.1983 8.8663 121.3382 54.5291 30.1134 174.8986 72 I 4.8425 8.9948 117.2475 59.4624 41.7917 174.2767 73 T 4.4241 8.3819 112.0190 60.9982 71.2867 173.8889 74 D 4.3106 8.7854 121.0818 55.2858 38.6968 174.3557 75 L 3.9043 8.2080 123.5336 58.5044 42.7489 178.0613 76 E 3.9585 8.0761 117.8047 59.3837 29.3354 179.4130 77 K 4.0207 7.9373 118.0929 59.5073 32.1930 179.5033 78 T 3.9296 8.0846 116.2851 66.6329 68.4975 176.8559 79 V 3.5398 7.8643 120.1905 66.1054 31.2669 177.9008 80 Q 4.0035 7.7253 116.5443 59.2379 28.7524 178.6194 81 E 4.1099 7.9632 119.4855 59.1228 29.4807 179.3517 82 L 3.8148 7.8367 119.2026 57.5556 41.7796 178.8225 83 V 3.9042 7.5048 115.3243 63.9384 31.4862 176.3552 84 K 4.2819 7.5791 117.1895 57.5385 32.5668 176.5044 85 I 4.2519 7.5374 122.0459 58.9909 38.0612 173.5573 86 P 4.3714 0.0000 0.0000 64.5032 31.4797 176.3376 87 G 3.9018 9.1205 111.5691 45.0487 0.0000 173.2026 88 A 4.7976 7.7530 122.2284 50.9582 19.7006 176.4543 89 M 4.9270 8.1605 118.4638 53.6448 35.1845 173.5493 90 C 4.6294 8.7802 122.2247 59.4641 31.8045 172.6938 91 I 4.2100 8.6129 119.7931 61.8522 39.2399 175.5518 92 L 4.7105 7.9869 125.7672 52.5904 44.0509 175.9294 93 D 4.8072 8.8373 126.1815 53.5004 41.8801 174.4121 94 P 4.4419 0.0000 0.0000 63.9813 31.8583 175.8418 95 T 4.7351 9.0273 120.6781 61.5854 73.0716 173.1026 96 D 4.8123 8.7489 125.4708 54.5959 41.3408 175.7264 97 M 4.8903 8.3861 122.2949 53.0486 36.4030 174.6613 98 P 4.4182 0.0000 0.0000 62.1236 29.1996 175.9975 *100 G 3.7014 7.7564 108.2684 44.7259 0.0000 168.4489 101 K 4.4211 8.0163 126.9841 56.3916 33.7796 175.0904 102 K 5.2466 9.2799 127.4830 54.8291 36.1657 174.6405 103 A 5.1262 9.1177 126.8349 50.3837 23.3371 174.7708 104 I 5.1074 8.7289 121.3526 59.4597 40.2763 175.2645 105 V 4.8550 9.0322 126.2389 59.7775 35.1651 174.0697 106 L 5.1309 8.8908 125.3441 53.7457 43.7985 176.0478 107 D 3.7148 8.5539 125.7782 51.2586 40.4588 175.4719 108 P 4.2456 0.0000 0.0000 65.5471 31.2578 177.3710 109 D 4.4574 8.0560 115.5710 54.8891 41.1906 177.1610 110 G 3.8832 8.4116 107.9709 45.3592 0.0000 173.0665 111 H 4.5174 8.6809 117.8525 55.3833 30.1108 174.9898 112 S 4.7228 8.8238 119.1838 58.4150 63.9735 173.0843 113 I 4.7600 9.1380 127.5750 59.7167 39.0607 174.5723 114 E 4.8942 9.3584 129.6577 55.1027 31.2816 174.7693 115 L 5.4586 9.3094 126.5361 53.2677 45.3112 175.3158 116 C 5.3021 9.1795 119.7110 57.8995 32.7869 173.8566 117 E 4.8722 8.6040 121.9640 55.5078 29.0488 175.4949 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 2 S 8.33 4.46 0.00 4.00 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 3 L 7.67 4.58 0.00 1.62 1.52 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 4 L 9.08 4.75 0.00 1.62 1.52 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.50 4.01 1.90 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 1.49 0.48 0.95 0.00 0.00 6 T 8.53 4.71 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 1.28 0.00 0.00 7 S 7.96 5.17 0.00 3.95 3.86 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 8 I 8.89 4.57 2.22 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.17 1.05 0.00 0.00 9 T 8.52 4.91 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 1.18 0.00 0.00 10 I 8.19 4.40 1.66 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.66 0.93 0.00 0.00 11 N 8.77 5.14 0.00 2.56 2.74 0.00 0.00 6.86 7.54 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 12 T 9.48 4.72 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 1.26 0.00 0.00 13 S 8.58 4.94 0.00 3.89 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 14 H 8.08 5.00 0.00 3.22 3.23 0.00 5.83 0.00 0.00 0.00 0.00 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.98 3.87 0.00 1.67 1.63 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.06 4.03 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 17 G 8.02 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 0.00 0.00 0.00 18 M 8.35 4.25 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.86 0.00 19 L 8.30 3.81 0.00 1.80 1.60 0.51 0.08 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 G 8.23 3.67 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 0.00 0.00 0.00 21 F 8.51 3.89 0.00 3.23 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 22 Y 8.62 4.42 0.00 3.65 3.33 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 0.00 23 R 8.30 4.59 0.00 2.22 2.07 0.00 3.24 0.00 0.00 3.37 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 24 I 7.33 3.71 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.54 0.74 0.00 0.00 25 I 7.29 3.71 1.91 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 -0.03 0.33 0.00 0.00 26 G 6.63 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 0.00 0.00 0.00 27 F 8.16 4.07 0.00 3.08 2.25 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 28 Q 8.31 4.77 0.00 1.89 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 29 F 8.86 4.90 0.00 3.03 3.05 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 30 T 9.11 4.76 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 1.24 0.00 0.00 31 A 8.64 4.16 1.09 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 0.00 0.00 32 S 8.27 3.75 0.00 3.83 3.59 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 *38 S 8.79 4.33 0.00 3.99 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 39 E 8.55 4.17 0.00 2.03 1.81 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 2.35 2.27 0.00 40 V 8.16 4.55 0.99 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 0.57 0.00 0.00 0.24 0.00 0.00 41 H 8.80 5.05 0.00 2.82 3.18 0.00 5.55 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 9.11 5.22 0.00 1.79 1.85 0.00 3.08 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 43 A 9.32 5.23 0.73 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 0.00 0.00 44 V 8.40 4.87 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 0.78 0.00 0.00 0.97 0.00 0.00 45 H 9.44 4.65 0.00 3.09 3.23 0.00 5.93 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 9.70 4.19 0.00 2.85 2.83 0.00 0.00 7.22 7.65 0.00 0.00 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 8.45 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 48 V 7.57 4.49 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 1.00 0.00 0.00 1.04 0.00 0.00 49 E 9.44 4.91 0.00 2.10 1.88 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 2.32 2.31 0.00 50 F 9.73 5.19 0.00 2.98 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.55 5.34 0.00 3.85 3.75 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 52 L 8.65 5.03 0.00 1.27 1.33 0.43 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.79 4.91 0.00 2.88 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 54 S 8.81 4.89 0.00 3.92 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 55 I 8.79 4.72 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.99 0.92 0.00 0.00 56 Q 8.46 4.29 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 57 N 8.61 4.24 0.00 2.80 2.76 0.00 0.00 6.87 8.03 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 58 P 0.00 4.40 0.00 2.16 2.07 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 59 Q 7.78 3.70 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.51 0.00 60 R 7.67 4.43 0.00 1.74 1.81 0.00 3.15 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 61 S 8.45 4.27 0.00 3.86 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 62 Q 8.33 4.60 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 63 I 8.12 3.87 1.86 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 1.41 0.70 0.90 0.00 0.00 64 P 0.00 4.47 0.00 2.05 2.00 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.99 0.00 65 S 8.44 4.39 0.00 3.87 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 66 L 7.77 4.46 0.00 1.67 1.65 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.69 4.94 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 68 L 8.55 4.76 0.00 1.62 1.10 1.18 0.69 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 69 G 8.08 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 70 F 9.44 5.19 0.00 2.94 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 71 Q 8.87 5.20 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 72 I 8.99 4.84 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.20 0.88 0.00 0.00 73 T 8.38 4.42 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 1.19 0.00 0.00 74 D 8.79 4.31 0.00 2.89 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.21 3.90 0.00 1.87 1.66 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.08 3.96 0.00 2.04 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 2.39 2.39 0.00 77 K 7.94 4.02 0.00 1.73 1.82 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.45 7.81 78 T 8.08 3.93 4.30 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 1.06 0.00 0.00 79 V 7.86 3.54 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 1.03 0.00 0.00 0.98 0.00 0.00 80 Q 7.73 4.00 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 81 E 7.96 4.11 0.00 2.02 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 2.29 2.43 0.00 82 L 7.84 3.81 0.00 1.73 1.51 0.56 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.50 3.90 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 0.82 0.00 0.00 0.98 0.00 0.00 84 K 7.58 4.28 0.00 1.96 1.83 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.53 7.81 85 I 7.54 4.25 2.14 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 0.93 1.07 0.00 0.00 86 P 0.00 4.37 0.00 2.04 2.02 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 87 G 9.12 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 88 A 7.75 4.80 1.55 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 89 M 8.16 4.93 0.00 2.05 2.12 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 2.56 2.53 0.00 90 C 8.78 4.63 0.00 3.03 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 91 I 8.61 4.21 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 1.45 0.80 0.93 0.00 0.00 92 L 7.99 4.71 0.00 1.78 1.64 0.93 1.17 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 93 D 8.84 4.81 0.00 2.61 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 94 P 0.00 4.44 0.00 1.93 2.05 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 95 T 9.03 4.74 4.25 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 1.22 0.00 0.00 96 D 8.75 4.81 0.00 2.56 2.62 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 97 M 8.39 4.89 0.00 1.89 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 98 P 0.00 4.42 0.00 2.04 2.02 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 *100 G 7.76 3.70 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 0.00 0.00 0.00 101 K 8.02 4.42 0.00 1.86 1.69 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.44 7.81 102 K 9.28 5.25 0.00 1.81 1.57 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.50 7.81 103 A 9.12 5.13 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 0.00 104 I 8.73 5.11 1.91 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 1.32 0.85 0.96 0.00 0.00 105 V 9.03 4.85 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 0.95 0.00 0.00 1.13 0.00 0.00 106 L 8.89 5.13 0.00 1.98 1.57 0.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.55 3.71 0.00 1.61 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 0.00 0.00 0.00 0.00 108 P 0.00 4.25 0.00 1.98 2.06 0.00 3.26 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.22 0.00 109 D 8.06 4.46 0.00 2.80 2.62 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 0.00 110 G 8.41 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 0.00 111 H 8.68 4.52 0.00 3.45 3.31 0.00 5.81 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.82 4.72 0.00 3.83 3.86 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 0.00 113 I 9.14 4.76 2.28 0.00 0.00 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 1.43 1.47 1.40 0.00 0.00 114 E 9.36 4.89 0.00 2.04 1.83 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 2.29 2.31 0.00 115 L 9.31 5.46 0.00 1.59 1.55 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 116 C 9.18 5.30 0.00 2.84 2.77 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 0.00 117 E 8.60 4.87 0.00 1.95 1.76 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 2.19 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.