NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3780 8.2493 123.5821 52.0527 21.0157 177.5840 3 N 4.7238 7.4068 111.2269 49.8864 41.0112 173.6704 4 L 3.9818 9.2865 125.3963 58.1049 42.8690 179.9767 5 N 4.2615 8.2221 116.2404 56.5341 38.4829 176.7699 6 Q 3.9419 7.8528 119.0589 59.2833 29.0759 178.0461 7 I 3.6675 7.5738 120.5972 64.6273 37.0951 177.9251 8 Q 4.0402 8.3362 120.2754 59.1597 28.7601 178.5216 9 K 3.9094 7.8656 118.7993 59.6051 32.1149 178.8586 10 E 3.9388 8.4746 119.0462 59.5869 29.4657 179.7289 11 V 3.5631 8.6384 119.0336 66.2437 31.5675 178.0297 12 S 4.1334 8.3067 115.1070 61.7074 62.6371 176.4606 13 E 3.9126 8.5119 122.1148 59.2075 29.3609 178.7961 14 I 3.6689 7.9005 119.9475 64.3169 37.2319 177.8741 15 L 3.9024 7.9193 120.8937 58.3373 41.9396 178.5816 16 S 4.0681 8.1714 112.8176 61.9166 62.2557 175.9390 17 D 4.3856 8.2645 121.2043 57.3593 40.4446 178.8725 18 Q 3.9001 8.3232 120.0191 59.0641 29.2569 177.9509 19 K 3.9351 7.9558 119.6511 59.9536 32.0915 178.9101 20 S 4.1296 7.9596 114.7688 62.0195 62.8102 176.6766 21 M 3.9952 8.1666 120.6654 58.4509 31.9017 178.0544 22 K 3.8216 8.8158 119.1707 59.7197 32.3232 179.0562 23 A 3.9770 7.8667 120.1738 55.2909 18.4057 179.4267 24 D 4.3307 8.3443 117.5926 57.5165 40.8742 179.1363 25 I 3.7189 8.2828 120.7402 64.1429 37.1094 178.3384 26 K 3.8144 8.2722 119.3929 59.5477 32.0747 178.7754 27 A 3.9524 7.9838 120.5853 55.4931 18.3128 179.3910 28 I 3.6322 7.5708 117.7811 64.6740 37.2166 178.3919 29 L 3.9553 7.8539 120.5925 58.2217 41.8133 178.4205 30 E 4.2203 8.8205 116.9054 57.5316 28.9704 177.6121 31 L 4.4266 7.7787 119.5092 55.0104 43.3922 177.3828 32 L 4.1157 7.9707 117.5467 56.8394 41.9124 178.5947 33 G 3.7684 7.9003 105.2807 47.3694 0.0000 175.9204 34 S 4.4244 7.4223 116.6990 60.1987 62.9547 174.5801 35 Q 3.9236 7.1486 123.0265 56.4207 28.8651 175.4608 36 N 4.8317 8.5313 122.7444 50.9559 39.4437 173.2509 37 P 4.0362 0.0000 0.0000 62.2142 32.3153 177.3274 38 I 3.7259 8.4446 124.1062 64.3580 36.9335 178.4588 39 K 3.9328 8.0530 119.7230 58.8595 31.6541 177.9264 40 E 4.0808 8.0423 118.9819 58.5584 29.7814 178.1747 41 S 4.2255 7.9149 115.0167 61.2247 62.8838 176.5283 42 L 4.0110 8.1472 121.8936 58.0380 41.5911 179.2585 43 E 4.0591 7.6501 118.1514 60.0043 29.2818 179.7728 44 T 3.9824 7.6291 114.3353 66.3626 68.4548 177.2223 45 V 3.6317 7.6475 120.2246 65.7866 31.5985 178.0451 46 A 3.9715 8.5984 120.7756 54.8607 18.0567 179.5315 47 A 3.9340 7.9302 119.2745 55.2092 18.5948 179.8085 48 K 3.9048 7.8526 117.9180 59.4136 32.3402 179.2888 49 I 3.7051 8.0821 120.5801 64.6003 37.2406 178.9159 50 V 3.6954 7.7726 113.1896 64.0122 31.2988 178.2910 51 N 4.2727 8.4802 117.3372 56.8849 38.8984 176.3186 52 D 4.3586 7.9056 119.7630 57.7015 41.1587 179.0137 53 L 4.0874 7.9210 118.5175 57.8144 41.5755 179.8325 54 T 3.9977 7.7157 115.7758 66.1378 68.1909 176.8090 55 K 3.9535 7.8903 120.9722 59.1788 32.5280 178.4287 56 L 4.0766 7.9851 120.5739 58.2215 42.0458 178.8729 57 I 3.6935 7.5641 119.1738 64.5780 37.0011 177.9920 58 N 4.5060 7.9024 114.1352 55.1006 38.3492 176.3019 59 D 4.4876 8.0000 120.2923 54.1640 42.6193 175.7338 60 C 4.0512 8.2911 117.2055 60.1768 25.4917 172.0613 61 P 4.2761 0.0000 0.0000 65.0954 31.4775 177.6354 62 C 4.4570 7.9094 114.0131 60.3726 28.8651 175.1343 63 N 4.2661 7.9603 118.6939 55.7497 37.9024 177.2036 64 K 3.8903 8.0322 119.7694 59.5577 31.8460 178.2419 65 E 3.8882 8.2719 118.7881 59.7675 29.3298 179.0038 66 I 3.8322 7.2172 119.0086 64.2655 37.3493 178.4104 67 L 4.0543 8.6349 120.1604 57.4959 41.3591 179.2806 68 E 3.9428 8.4499 118.7897 59.6075 29.2599 179.3737 69 A 4.0743 7.4898 118.5655 54.7751 18.5021 178.7502 70 L 4.3139 7.5694 114.6239 54.2570 42.0246 177.0222 71 G 3.9459 8.0578 107.2648 46.7436 0.0000 173.9059 72 T 4.6426 7.8691 108.3596 59.0685 71.5154 173.6445 73 Q 4.1234 8.6324 123.9672 55.4947 29.5299 174.4791 74 P 4.4640 0.0000 0.0000 62.7070 31.5660 175.6690 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 A 8.25 4.38 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 3 N 7.41 4.72 0.00 3.04 2.87 0.00 0.00 5.89 5.79 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 4 L 9.29 3.98 0.00 1.78 1.70 0.92 0.64 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 5 N 8.22 4.26 0.00 3.02 2.87 0.00 0.00 6.78 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 6 Q 7.85 3.94 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 7 I 7.57 3.67 2.01 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 0.68 0.91 0.00 0.00 8 Q 8.34 4.04 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 9 K 7.87 3.91 0.00 1.93 1.84 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.68 1.63 7.81 10 E 8.47 3.94 0.00 2.14 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 2.33 2.53 0.00 11 V 8.64 3.56 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 1.03 0.00 0.00 0.98 0.00 0.00 12 S 8.31 4.13 0.00 4.10 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 13 E 8.51 3.91 0.00 2.09 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 2.30 2.35 0.00 14 I 7.90 3.67 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 1.41 0.56 0.91 0.00 0.00 15 L 7.92 3.90 0.00 1.76 1.87 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.17 4.07 0.00 3.92 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 17 D 8.26 4.39 0.00 2.73 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.32 3.90 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 19 K 7.96 3.94 0.00 2.08 1.88 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.66 7.81 20 S 7.96 4.13 0.00 4.09 3.93 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 0.00 0.00 0.00 21 M 8.17 4.00 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 22 K 8.82 3.82 0.00 2.08 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.48 7.81 23 A 7.87 3.98 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 24 D 8.34 4.33 0.00 2.82 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 25 I 8.28 3.72 2.08 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 1.52 0.76 0.91 0.00 0.00 26 K 8.27 3.81 0.00 1.97 1.87 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.62 7.81 27 A 7.98 3.95 1.40 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 0.00 0.00 0.00 28 I 7.57 3.63 2.04 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 1.04 0.91 0.00 0.00 29 L 7.85 3.96 0.00 1.78 1.95 0.92 1.02 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 30 E 8.82 4.22 0.00 2.08 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 2.33 2.46 0.00 31 L 7.78 4.43 0.00 1.94 1.77 0.92 0.41 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 32 L 7.97 4.12 0.00 1.75 1.70 0.92 0.67 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 33 G 7.90 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 0.00 0.00 0.00 34 S 7.42 4.42 0.00 3.76 3.93 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 0.00 0.00 0.00 35 Q 7.15 3.92 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 36 N 8.53 4.83 0.00 2.84 2.79 0.00 0.00 6.30 7.75 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 37 P 0.00 4.04 0.00 2.18 2.02 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 38 I 8.44 3.73 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 1.52 0.63 0.91 0.00 0.00 39 K 8.05 3.93 0.00 1.82 1.80 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 40 E 8.04 4.08 0.00 2.03 1.91 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 2.33 2.33 0.00 41 S 7.91 4.23 0.00 3.90 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 42 L 8.15 4.01 0.00 1.68 1.71 0.92 1.09 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 43 E 7.65 4.06 0.00 1.87 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 2.33 2.49 0.00 44 T 7.63 3.98 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 45 V 7.65 3.63 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 1.10 0.00 0.00 0.96 0.00 0.00 46 A 8.60 3.97 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 47 A 7.93 3.93 1.40 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 0.00 0.00 0.00 48 K 7.85 3.90 0.00 2.00 1.90 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.52 7.81 49 I 8.08 3.71 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 1.52 1.02 0.91 0.00 0.00 50 V 7.77 3.70 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 0.93 0.00 0.00 1.03 0.00 0.00 51 N 8.48 4.27 0.00 2.81 2.90 0.00 0.00 7.12 8.88 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 52 D 7.91 4.36 0.00 2.98 2.70 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 53 L 7.92 4.09 0.00 1.72 1.73 0.92 0.54 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 54 T 7.72 4.00 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 55 K 7.89 3.95 0.00 1.94 1.91 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.59 7.81 56 L 7.99 4.08 0.00 1.81 1.79 0.92 0.87 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 57 I 7.56 3.69 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 1.52 0.61 0.91 0.00 0.00 58 N 7.90 4.51 0.00 2.80 2.87 0.00 0.00 7.16 8.06 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 59 D 8.00 4.49 0.00 2.91 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 60 C 8.29 4.05 0.00 3.09 2.93 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 0.00 0.00 0.00 61 P 0.00 4.28 0.00 2.04 2.11 0.00 3.66 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 2.02 2.10 0.00 62 C 7.91 4.46 0.00 2.98 2.95 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 63 N 7.96 4.27 0.00 2.91 2.86 0.00 0.00 6.90 7.53 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 64 K 8.03 3.89 0.00 1.79 1.86 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.51 7.81 65 E 8.27 3.89 0.00 2.02 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 2.43 0.00 66 I 7.22 3.83 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 1.52 1.03 0.91 0.00 0.00 67 L 8.63 4.05 0.00 1.69 1.91 0.93 1.12 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 68 E 8.45 3.94 0.00 2.26 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 2.33 2.52 0.00 69 A 7.49 4.07 1.33 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 0.00 0.00 70 L 7.57 4.31 0.00 1.75 1.72 0.92 1.29 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 71 G 8.06 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 0.00 0.00 0.00 72 T 7.87 4.64 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 1.24 0.00 0.00 73 Q 8.63 4.12 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 74 P 0.00 4.46 0.00 2.03 1.94 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00