NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4885 0.0000 0.0000 62.3857 33.7402 174.7878 2 I 4.8642 8.2312 121.6201 59.1270 40.0527 173.2276 3 A 4.7945 9.3819 129.8483 49.9620 22.2925 174.2679 4 Q 4.9537 8.7035 122.6604 54.2959 31.6723 174.4252 5 I 4.4539 8.9345 127.7492 59.8745 39.8647 174.2184 6 H 5.2782 8.8404 124.8853 54.3391 29.8073 174.5258 7 I 4.6311 8.3996 116.6019 58.5605 41.1992 174.9635 8 L 4.6398 8.3665 123.6185 54.4381 42.1956 176.9315 9 E 4.0662 9.0282 121.2601 57.1714 30.3763 176.6701 10 G 3.6540 8.8024 109.4157 45.6808 0.0000 174.6772 11 R 4.3850 7.6503 119.4192 55.2936 31.3848 176.9129 12 S 4.4375 8.4266 115.6484 58.1164 65.2085 175.2877 13 D 4.3633 8.5260 122.0746 57.3749 40.5205 178.7069 14 E 3.9157 8.0801 119.4495 59.3984 29.6675 178.7270 15 Q 4.0110 8.0918 118.0976 58.9958 28.7816 179.0123 16 K 3.9900 8.0335 119.3568 59.3502 32.0122 179.3558 17 E 3.9976 8.2970 119.1412 59.5679 29.3671 179.5193 18 T 3.8345 7.9583 115.8422 66.4267 68.4860 176.2986 19 L 3.9244 8.1528 122.5852 58.4710 42.1503 179.1646 20 I 3.6787 7.7769 119.4899 64.2250 36.9847 178.4975 21 R 3.8406 7.9123 119.4687 59.5667 30.0127 178.3120 22 E 3.9575 8.5842 118.7756 59.5163 29.4868 179.6908 23 V 3.5863 8.0215 118.2734 66.0269 31.5075 178.2717 24 S 4.1397 7.9435 114.4687 61.6572 62.6087 176.5839 25 E 3.9310 8.2741 121.0658 59.3422 29.2341 179.2222 26 A 4.0216 8.1988 120.9022 55.1031 18.5009 179.8965 27 I 3.6630 7.8462 118.2994 64.5177 37.2947 178.4718 28 S 4.1544 8.2087 114.1577 61.5136 62.3686 176.2552 29 R 3.9067 8.3682 121.7215 59.5608 29.6160 178.6261 30 S 4.2903 8.0747 114.0059 60.6121 62.8943 175.6266 31 L 4.5590 7.5211 117.5958 53.1315 42.8647 175.8052 32 D 4.3656 7.7330 116.2157 55.5980 38.7790 173.3899 33 A 4.7811 7.7495 119.9324 49.2730 21.8393 175.6200 34 P 4.2834 0.0000 0.0000 62.4956 32.2142 177.1826 35 L 3.9915 8.9029 125.2865 58.5416 41.9517 178.9779 36 T 4.0313 7.8544 106.7020 63.6035 68.7846 174.7808 37 S 4.3793 8.2360 116.1653 58.7673 63.7208 173.9314 38 V 4.2632 7.5431 122.6850 62.2097 32.1681 175.2187 39 R 4.7262 8.8984 126.8473 54.2978 33.2044 174.8105 40 V 4.8913 8.4546 122.7593 61.0685 34.5884 174.4139 41 I 4.5490 8.9236 128.2030 59.5731 40.0958 174.2988 42 I 4.7769 8.3899 127.5762 59.8978 39.2555 175.1527 43 T 4.5107 9.0601 123.4052 61.7619 71.2827 173.0832 44 E 4.9458 8.8314 126.2458 55.8609 31.0793 175.7402 45 M 4.8348 8.8462 122.8325 53.1558 35.1147 175.7427 46 A 4.6988 8.4680 125.1038 51.2765 19.3095 178.5666 47 K 4.1122 8.4071 121.1459 59.2999 32.2372 178.3916 48 G 3.9960 7.9798 105.1442 45.8375 0.0000 173.4852 49 H 4.9336 8.5932 115.4664 55.0340 29.8175 173.5594 50 F 5.1187 8.2489 122.7872 56.2373 41.3412 173.8022 51 G 4.1956 8.3719 116.2734 43.5456 0.0000 172.1423 52 I 4.1557 8.2851 122.4177 60.0207 39.9339 176.0407 53 G 3.5978 9.5786 113.9437 46.5583 0.0000 174.3121 54 G 3.9110 8.4797 106.3855 44.9502 0.0000 173.8584 55 E 4.7082 7.4941 118.9683 53.7170 32.4720 175.5468 56 L 4.3021 8.2512 121.4175 54.6811 42.6550 178.1984 57 A 3.9279 9.1433 127.3965 55.2223 18.6069 179.6380 58 S 4.2227 8.2718 109.5348 60.7189 62.7749 175.2643 59 K 4.6370 7.7004 119.4158 55.5167 32.8522 176.1934 60 V 3.9509 7.6628 124.4180 64.5068 31.6626 173.5076 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 P 0.00 4.49 0.00 2.09 2.03 0.00 3.59 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 2.00 2.12 0.00 2 I 8.23 4.86 1.87 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 1.27 0.72 0.90 0.00 0.00 3 A 9.38 4.79 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 4 Q 8.70 4.95 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.65 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 5 I 8.93 4.45 1.83 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 1.21 0.67 0.88 0.00 0.00 6 H 8.84 5.28 0.00 2.93 3.09 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.40 4.63 1.82 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 1.17 1.27 0.86 0.00 0.00 8 L 8.37 4.64 0.00 1.53 1.64 1.01 1.04 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 9 E 9.03 4.07 0.00 2.02 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 0.00 2.29 2.27 0.00 10 G 8.80 3.65 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 0.00 0.00 0.00 11 R 7.65 4.39 0.00 1.78 1.85 0.00 3.25 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 12 S 8.43 4.44 0.00 4.07 3.99 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 13 D 8.53 4.36 0.00 2.78 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 14 E 8.08 3.92 0.00 2.03 1.94 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 2.37 2.40 0.00 15 Q 8.09 4.01 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 16 K 8.03 3.99 0.00 1.97 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.70 7.81 17 E 8.30 4.00 0.00 2.26 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 0.00 2.32 2.34 0.00 18 T 7.96 3.83 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 19 L 8.15 3.92 0.00 1.80 1.86 0.91 1.14 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 20 I 7.78 3.68 2.01 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 1.39 0.88 0.90 0.00 0.00 21 R 7.91 3.84 0.00 1.89 2.04 0.00 3.10 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.58 3.96 0.00 1.96 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 0.00 2.46 2.46 0.00 23 V 8.02 3.59 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 1.02 0.00 0.00 0.94 0.00 0.00 24 S 7.94 4.14 0.00 4.11 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 25 E 8.27 3.93 0.00 2.19 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 0.00 2.33 2.32 0.00 26 A 8.20 4.02 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 27 I 7.85 3.66 2.02 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 1.40 1.19 0.91 0.00 0.00 28 S 8.21 4.15 0.00 3.87 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 29 R 8.37 3.91 0.00 1.89 2.05 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 30 S 8.07 4.29 0.00 4.17 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 31 L 7.52 4.56 0.00 1.61 1.66 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.73 4.37 0.00 2.88 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 33 A 7.75 4.78 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 34 P 0.00 4.28 0.00 2.19 2.00 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 35 L 8.90 3.99 0.00 1.71 1.69 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.85 4.03 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 37 S 8.24 4.38 0.00 3.94 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 38 V 7.54 4.26 2.18 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 0.76 0.00 0.00 0.97 0.00 0.00 39 R 8.90 4.73 0.00 1.76 1.77 0.00 3.11 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 40 V 8.45 4.89 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.92 4.55 1.84 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 1.21 0.49 0.87 0.00 0.00 42 I 8.39 4.78 1.84 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 1.31 0.53 0.87 0.00 0.00 43 T 9.06 4.51 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 1.17 0.00 0.00 44 E 8.83 4.95 0.00 1.83 1.85 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 2.25 2.31 0.00 45 M 8.85 4.83 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 46 A 8.47 4.70 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 47 K 8.41 4.11 0.00 1.73 1.94 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.44 7.81 48 G 7.98 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 49 H 8.59 4.93 0.00 3.27 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.25 5.12 0.00 2.97 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 51 G 8.37 4.20 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 0.00 52 I 8.29 4.16 1.68 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 0.82 0.22 0.82 0.00 0.00 53 G 9.58 3.60 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 0.00 0.00 0.00 54 G 8.48 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 0.00 0.00 0.00 55 E 7.49 4.71 0.00 2.09 1.78 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 2.18 2.35 0.00 56 L 8.25 4.30 0.00 1.69 1.59 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 57 A 9.14 3.93 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 58 S 8.27 4.22 0.00 4.00 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 59 K 7.70 4.64 0.00 1.87 1.90 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.32 7.81 60 V 7.66 3.95 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 0.66 0.00 0.00 0.90 0.00 0.00