NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.7754 8.4029 117.8392 55.5977 30.4674 174.6459 1 M 3.9759 8.7208 121.9474 55.7713 31.4587 175.3344 2 R 4.0290 8.8798 115.9032 58.7190 30.4779 176.6239 3 D 4.6569 7.7223 115.5276 53.8195 41.4912 176.2508 4 E 3.9603 7.9252 121.3034 56.2464 29.9146 175.7871 5 I 4.4508 8.1613 126.7527 59.2890 39.2067 175.3781 6 L 4.1240 8.4335 125.7391 54.3791 42.4632 176.3255 7 D 4.7661 8.3223 121.8418 51.7871 41.3632 174.9118 8 P 4.3637 0.0000 0.0000 64.9092 31.4679 177.8278 9 S 4.4029 8.4088 111.3743 59.0579 63.7208 175.1399 10 N 4.7074 7.8245 121.7062 52.2567 36.7063 174.5564 11 L 3.9969 7.9186 125.3561 56.9799 42.2384 178.7332 12 V 3.5494 7.7096 117.8802 65.9184 31.5367 177.8562 13 K 3.9628 8.2794 119.3616 59.6544 31.9572 178.5063 14 N 4.3574 8.4294 116.8823 56.3923 38.4100 177.6595 15 R 4.0506 8.3176 119.6512 59.0365 30.1088 178.9333 16 E 4.0094 8.1776 118.3647 59.4303 29.4085 179.3587 17 I 3.7047 8.0054 119.9733 64.2451 37.1005 178.0771 18 L 3.9255 8.2160 121.3381 58.6715 41.8340 178.7761 19 Y 3.7288 8.2801 116.4607 60.9332 37.6363 178.7689 20 R 3.9802 8.1590 119.2099 59.2288 30.1807 179.0563 21 L 3.9932 8.2141 119.0172 57.9984 41.5844 179.5475 22 M 4.0209 8.2812 118.9491 58.3509 31.8559 178.8898 23 I 3.7646 8.0713 120.2748 64.5131 37.2510 178.6648 24 S 4.1709 8.4095 116.3463 61.5492 62.5057 176.5740 25 Q 4.2695 8.1321 123.5133 58.7422 28.8273 178.2451 26 L 4.0740 8.0681 119.9723 58.0989 41.6779 179.4940 27 M 4.0712 8.2868 118.5837 58.5830 31.7213 178.0058 28 Y 4.0324 8.0062 118.3928 60.8393 39.0457 177.3118 29 D 4.6900 8.1139 116.2987 54.5172 41.1671 177.3154 30 G 3.8794 8.0623 108.5351 45.6433 0.0000 175.1471 31 L 4.2765 7.8008 122.4136 53.2246 38.1628 176.7445 32 E 3.9036 7.7144 124.1645 59.2492 30.3186 177.5816 33 K 3.9186 7.9456 119.0331 59.5563 32.2751 178.4015 34 F 4.4979 8.1631 117.2312 60.7756 38.8884 177.3003 35 A 4.0855 8.3604 120.3684 55.6127 18.2012 179.6614 36 M 4.0805 8.4991 117.4677 58.4319 32.0707 178.8791 37 E 4.0185 8.4911 118.9723 59.2686 29.7126 179.1341 38 L 3.9878 8.1654 120.4480 58.2025 42.2055 178.8630 39 S 4.1506 8.3169 113.1766 61.8453 62.4569 176.1560 40 M 4.1183 8.2355 121.3412 58.1567 31.4351 178.5383 41 L 4.0703 7.8144 119.7926 57.5066 42.4049 178.4505 42 V 4.0098 7.5619 108.8694 59.6735 32.6983 175.7198 43 K 3.7503 7.5665 116.2396 57.2866 30.0083 175.3393 44 A 4.2520 7.7378 119.8222 51.7776 19.3779 177.9558 45 D 4.5943 8.3115 120.0148 53.4555 41.7142 176.3820 46 Q 4.0280 8.5428 121.7247 56.9771 29.3556 175.6886 47 C 4.8942 8.5922 121.5020 57.8377 31.2462 173.0248 48 A 4.8180 8.2217 125.3528 49.1884 20.9872 174.9165 49 P 4.6149 0.0000 0.0000 63.2128 31.8435 175.8617 50 S 4.5689 8.5085 115.0936 57.4394 65.1116 173.9460 51 E 4.6827 7.6380 122.4305 55.3385 30.1343 178.0225 52 R 3.8375 7.9022 122.4823 60.5171 29.9228 177.4903 53 L 3.8766 7.8200 119.4837 57.9649 42.0677 178.4953 54 L 3.8588 7.7273 120.3303 58.6077 42.0323 178.8224 55 H 4.2336 7.9070 115.5757 58.6124 28.6188 177.8373 56 V 3.5878 8.0735 120.5221 66.0523 31.2792 177.7619 57 M 3.9833 8.3933 118.3714 58.6867 31.9709 178.1837 58 I 3.6485 7.7613 119.6791 64.4006 37.3095 178.3184 59 A 4.1004 8.1486 121.6592 55.0123 18.1585 179.9647 60 G 3.5245 8.4115 104.6028 48.3154 0.0000 175.9113 61 M 4.0837 8.2836 121.7158 57.9405 31.6844 178.9239 62 Q 3.9480 7.6147 117.4651 59.3275 29.0318 178.5571 63 T 4.0182 7.6234 115.1408 66.8599 68.6224 176.4917 64 L 4.1719 7.9615 119.5045 57.0813 41.6967 177.8610 65 S 4.4303 7.8724 118.4331 58.6566 63.2971 173.7944 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 0 H 8.40 4.78 0.00 3.48 3.29 0.00 5.79 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.72 3.98 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.16 0.00 2 R 8.88 4.03 0.00 1.90 2.10 0.00 2.96 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 3 D 7.72 4.66 0.00 2.75 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 4 E 7.93 3.96 0.00 1.99 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 2.33 2.34 0.00 5 I 8.16 4.45 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 1.42 0.92 0.91 0.00 0.00 6 L 8.43 4.12 0.00 1.62 1.60 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.32 4.77 0.00 2.64 2.55 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 8 P 0.00 4.36 0.00 2.08 2.11 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 9 S 8.41 4.40 0.00 3.97 3.98 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 0.00 0.00 0.00 10 N 7.82 4.71 0.00 2.97 2.75 0.00 0.00 7.09 6.70 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 11 L 7.92 4.00 0.00 1.70 1.71 0.99 0.86 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 12 V 7.71 3.55 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 1.02 0.00 0.00 0.92 0.00 0.00 13 K 8.28 3.96 0.00 1.95 1.92 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 14 N 8.43 4.36 0.00 2.91 2.87 0.00 0.00 7.05 7.31 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 15 R 8.32 4.05 0.00 2.02 2.02 0.00 3.14 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 16 E 8.18 4.01 0.00 2.24 2.02 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 2.31 2.56 0.00 17 I 8.01 3.70 2.03 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 1.43 0.73 0.93 0.00 0.00 18 L 8.22 3.93 0.00 1.77 1.94 0.85 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.28 3.73 0.00 3.13 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 20 R 8.16 3.98 0.00 2.07 2.01 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 21 L 8.21 3.99 0.00 1.84 1.69 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 22 M 8.28 4.02 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.40 0.00 23 I 8.07 3.76 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.76 0.96 0.00 0.00 24 S 8.41 4.17 0.00 4.07 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 25 Q 8.13 4.27 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 26 L 8.07 4.07 0.00 1.95 1.80 0.99 0.91 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 27 M 8.29 4.07 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.58 0.00 28 Y 8.01 4.03 0.00 3.26 3.19 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 29 D 8.11 4.69 0.00 2.78 2.74 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 0.00 0.00 0.00 0.00 30 G 8.06 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 31 L 7.80 4.28 0.00 1.79 1.62 1.07 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.71 3.90 0.00 2.02 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 2.38 2.38 0.00 33 K 7.95 3.92 0.00 1.83 1.72 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.57 7.81 34 F 8.16 4.50 0.00 3.20 2.98 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 0.00 0.00 0.00 35 A 8.36 4.09 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 36 M 8.50 4.08 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.90 0.00 37 E 8.49 4.02 0.00 2.21 2.04 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 2.60 2.58 0.00 38 L 8.17 3.99 0.00 1.88 1.89 1.10 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.32 4.15 0.00 3.97 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 40 M 8.24 4.12 0.00 2.13 2.12 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 2.80 2.56 0.00 41 L 7.81 4.07 0.00 1.83 1.70 0.92 0.97 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 42 V 7.56 4.01 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 0.64 0.00 0.00 1.03 0.00 0.00 43 K 7.57 3.75 0.00 1.96 1.84 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.49 7.81 44 A 7.74 4.25 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 D 8.31 4.59 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.54 4.03 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 47 C 8.59 4.89 0.00 2.99 2.82 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 48 A 8.22 4.82 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 49 P 0.00 4.61 0.00 2.33 2.16 0.00 3.86 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 50 S 8.51 4.57 0.00 3.85 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 51 E 7.64 4.68 0.00 1.87 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 1.47 1.96 0.00 52 R 7.90 3.84 0.00 1.88 1.94 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 53 L 7.82 3.88 0.00 1.75 1.77 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.73 3.86 0.00 1.74 1.62 0.85 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 55 H 7.91 4.23 0.00 3.19 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.07 3.59 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 1.07 0.00 0.00 0.95 0.00 0.00 57 M 8.39 3.98 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 58 I 7.76 3.65 1.87 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 1.44 0.75 0.91 0.00 0.00 59 A 8.15 4.10 1.37 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 0.00 0.00 0.00 60 G 8.41 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.28 4.08 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.57 0.00 62 Q 7.61 3.95 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 63 T 7.62 4.02 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 1.21 0.00 0.00 64 L 7.96 4.17 0.00 1.61 1.73 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.87 4.43 0.00 4.04 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