NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3233 8.4449 120.2256 55.9131 30.2705 175.4666 4 R 3.9911 8.3846 123.5189 54.6274 31.3295 175.5018 5 P 4.2064 0.0000 0.0000 66.2693 32.1595 178.7494 6 L 3.9777 7.8853 116.6584 57.5394 41.4363 179.2459 7 D 4.3212 8.0486 119.1993 57.3243 40.5613 178.8418 8 V 3.5451 7.6159 116.9480 66.0454 31.8589 177.6830 9 I 3.6703 7.5140 119.3389 64.4070 36.8626 177.8484 10 H 3.9758 8.1411 119.3570 59.3156 29.5400 177.3243 11 R 3.9745 8.0807 119.0865 58.8261 30.1494 177.5585 12 S 4.4948 7.6732 113.6032 57.4642 63.0689 173.8061 13 L 4.3702 7.1986 123.1977 56.3538 41.7380 177.0189 14 D 4.5620 9.5919 122.2869 54.6447 39.0786 173.5610 15 K 4.6936 7.8077 118.7903 54.3846 35.9594 174.6049 16 D 5.1448 8.4293 121.0790 54.1458 42.5519 175.4457 17 V 5.0331 8.9056 117.8083 59.5771 36.8097 173.9513 18 L 4.9438 9.0226 125.4109 53.4998 44.2914 175.2343 19 V 4.7819 9.0263 127.6388 61.4782 33.4987 174.2361 20 I 4.5911 8.7504 130.5761 60.1910 38.5276 175.6834 21 L 4.8806 8.4425 127.2297 53.2477 43.3231 177.9373 22 K 3.8318 8.3984 120.7581 58.1128 32.6510 177.8653 23 K 4.3173 7.4121 120.2395 55.9517 32.5381 178.1598 24 G 3.9634 8.2659 110.3655 45.1643 0.0000 174.4855 25 F 5.0000 6.8976 114.4612 55.8946 40.5293 174.6583 26 E 5.3226 9.2963 118.1136 54.9889 34.5466 174.4464 27 F 5.4169 9.2402 118.8424 55.9104 42.9406 174.5511 28 R 5.0846 9.2305 122.1263 54.6678 33.7870 174.6959 29 G 3.9673 8.0065 110.1760 46.4834 0.0000 170.9241 30 R 4.8032 8.1245 121.1314 55.1059 31.4857 176.0185 31 L 4.7205 9.0785 130.2652 55.2652 42.6579 176.7614 32 I 4.4706 8.4932 119.5491 60.4676 39.0383 175.2481 33 G 4.2215 7.6468 108.5956 46.4458 0.0000 171.6461 34 Y 5.3112 7.7783 117.2651 56.7217 40.6324 172.1022 35 D 4.7450 8.4675 118.4787 51.1859 42.6885 176.1975 36 I 3.7449 8.2179 118.0946 64.0000 37.8620 175.9471 37 H 4.5535 8.1424 114.8540 55.7777 29.0760 175.2861 38 L 3.8556 8.2572 119.2505 55.4876 39.6285 173.6910 39 N 4.9950 8.4108 116.3305 53.4531 39.8052 174.7796 40 V 5.0156 8.9223 114.8737 59.6255 36.7035 174.5373 41 V 4.7582 8.6355 122.2765 61.1906 34.1664 174.2725 42 L 5.3333 8.8187 127.2678 52.9258 44.9296 175.3209 43 A 5.0120 9.1219 124.4046 50.4082 21.7734 175.9012 44 D 4.3391 8.6143 118.5223 55.2061 40.3757 172.9787 45 A 4.9891 7.9683 121.8015 51.6409 21.7139 177.8054 46 E 5.1245 9.6293 118.5430 54.8994 33.6125 174.8961 47 M 4.4023 8.9888 125.5593 55.1711 33.7508 174.8845 48 I 4.9977 9.1451 127.3567 59.4949 41.2524 174.2442 49 Q 4.5521 8.5859 127.0055 55.0130 31.7293 174.9283 50 D 4.2691 10.1927 124.3337 55.1678 38.6886 174.3540 51 G 4.0993 8.4220 105.8727 45.1440 0.0000 173.3042 52 E 4.5784 8.1788 119.9358 53.9736 31.5485 175.5016 53 V 4.2123 8.3655 123.8585 62.9751 31.9221 175.6471 54 V 4.3774 8.3440 119.9303 61.5321 33.5467 175.8120 55 K 4.4917 7.5693 118.1263 55.2429 36.5398 174.8137 56 R 5.0060 7.8828 119.9537 54.7444 34.0637 174.5165 57 Y 4.7471 8.6363 118.4258 56.3489 42.2503 176.5194 58 G 3.6896 9.1059 110.9697 49.0551 0.0000 173.2888 59 K 5.3094 7.8515 117.7691 54.6224 36.7060 175.5538 60 I 4.2737 8.4951 121.9057 59.8537 41.8853 173.3323 61 V 4.5701 8.2184 129.3257 61.5208 32.7685 174.5874 62 I 4.3856 8.7519 129.2286 59.3819 39.6917 175.4216 63 R 4.5686 8.5456 126.1214 55.5548 30.9771 178.0473 64 G 3.7407 9.4276 111.9295 47.8008 0.0000 175.1701 65 D 4.3587 8.1676 118.4141 56.5832 41.4875 176.2325 66 N 4.7564 7.9086 114.9960 52.8202 39.2860 174.5413 67 V 4.1217 7.5576 119.7498 62.5381 32.3278 175.2455 68 L 4.3706 9.1032 129.9095 57.4152 42.6768 176.1432 69 A 4.7073 7.5516 117.6257 51.0785 22.8589 174.8798 70 I 5.0210 8.1997 119.0468 59.6415 40.9642 175.0430 71 S 4.6337 9.2225 121.6739 55.6679 65.2407 171.1451 72 P 4.7718 0.0000 0.0000 62.2856 31.7636 176.5529 73 T 4.1227 8.4435 114.7326 61.9835 68.2763 174.2829 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 3 E 8.44 4.32 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 4 R 8.38 3.99 0.00 2.09 1.84 0.00 3.17 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 5 P 0.00 4.21 0.00 2.13 2.12 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 2.12 2.20 0.00 6 L 7.89 3.98 0.00 1.66 1.75 1.02 1.09 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 7 D 8.05 4.32 0.00 2.92 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 8 V 7.62 3.55 2.19 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 0.83 0.00 0.00 1.00 0.00 0.00 9 I 7.51 3.67 1.52 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.48 0.22 0.00 0.00 10 H 8.14 3.98 0.00 3.35 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.08 3.97 0.00 2.06 1.92 0.00 3.30 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 12 S 7.67 4.49 0.00 3.99 3.83 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 13 L 7.20 4.37 0.00 1.63 1.63 0.98 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.59 4.56 0.00 2.80 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 15 K 7.81 4.69 0.00 1.84 1.68 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.34 7.81 16 D 8.43 5.14 0.00 2.74 2.53 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 0.00 0.00 0.00 0.00 17 V 8.91 5.03 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 0.89 0.00 0.00 0.99 0.00 0.00 18 L 9.02 4.94 0.00 1.73 1.53 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.03 4.78 2.28 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 1.10 0.00 0.00 0.99 0.00 0.00 20 I 8.75 4.59 1.88 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 1.40 0.48 0.89 0.00 0.00 21 L 8.44 4.88 0.00 1.50 1.27 1.29 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.40 3.83 0.00 1.57 1.83 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.53 7.81 23 K 7.41 4.32 0.00 1.14 1.58 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.16 7.81 24 G 8.27 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 25 F 6.90 5.00 0.00 3.02 3.14 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 0.00 0.00 0.00 0.00 26 E 9.30 5.32 0.00 1.89 2.00 0.00 0.00 0.00 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 27 F 9.24 5.42 0.00 3.07 2.88 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 28 R 9.23 5.08 0.00 1.89 1.77 0.00 3.20 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 29 G 8.01 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 0.00 0.00 0.00 30 R 8.12 4.80 0.00 1.92 1.83 0.00 3.23 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 31 L 9.08 4.72 0.00 1.80 1.73 1.07 0.59 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 32 I 8.49 4.47 1.88 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 1.33 0.85 0.93 0.00 0.00 33 G 7.65 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 0.00 0.00 0.00 0.00 34 Y 7.78 5.31 0.00 3.02 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 35 D 8.47 4.74 0.00 2.84 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 36 I 8.22 3.74 1.83 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 1.38 0.65 0.66 0.00 0.00 37 H 8.14 4.55 0.00 3.35 3.33 0.00 5.83 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.26 3.86 0.00 1.98 1.85 1.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.41 4.99 0.00 2.98 2.74 0.00 0.00 6.79 6.98 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 40 V 8.92 5.02 2.11 0.00 0.00 0.00 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 0.93 0.00 0.00 41 V 8.64 4.76 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 1.05 0.00 0.00 0.92 0.00 0.00 42 L 8.82 5.33 0.00 1.58 1.52 0.96 0.43 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 43 A 9.12 5.01 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 44 D 8.61 4.34 0.00 2.70 2.68 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 45 A 7.97 4.99 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 46 E 9.63 5.12 0.00 1.91 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 2.29 0.00 47 M 8.99 4.40 0.00 2.08 2.04 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 1.53 2.07 0.00 48 I 9.15 5.00 1.86 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 1.11 0.87 0.91 0.00 0.00 49 Q 8.59 4.55 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.14 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 50 D 10.19 4.27 0.00 2.87 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 51 G 8.42 4.10 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 0.00 0.00 0.00 52 E 8.18 4.58 0.00 2.14 1.82 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 2.21 2.19 0.00 53 V 8.37 4.21 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 0.77 0.00 0.00 0.93 0.00 0.00 54 V 8.34 4.38 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 0.69 0.00 0.00 0.87 0.00 0.00 55 K 7.57 4.49 0.00 1.48 1.13 0.00 1.71 0.00 0.00 1.90 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.39 7.81 56 R 7.88 5.01 0.00 1.49 1.69 0.00 3.30 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 57 Y 8.64 4.75 0.00 2.94 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 58 G 9.11 3.69 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 0.00 0.00 0.00 59 K 7.85 5.31 0.00 1.59 1.64 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.44 7.81 60 I 8.50 4.27 1.38 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.74 0.58 0.00 0.00 61 V 8.22 4.57 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.87 0.00 0.00 62 I 8.75 4.39 1.78 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.25 0.92 0.00 0.00 63 R 8.55 4.57 0.00 1.88 1.85 0.00 3.12 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 64 G 9.43 3.74 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 0.00 0.00 0.00 65 D 8.17 4.36 0.00 2.63 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 66 N 7.91 4.76 0.00 2.78 2.82 0.00 0.00 6.49 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 67 V 7.56 4.12 2.23 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 0.82 0.00 0.00 1.02 0.00 0.00 68 L 9.10 4.37 0.00 1.59 1.83 0.90 0.96 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 69 A 7.55 4.71 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 70 I 8.20 5.02 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 1.25 0.72 0.90 0.00 0.00 71 S 9.22 4.63 0.00 3.81 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 72 P 0.00 4.77 0.00 1.97 1.97 0.00 3.73 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 2.00 2.05 0.00 73 T 8.44 4.12 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 1.29 0.00 0.00