NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2437 0.0000 0.0000 61.2645 33.6673 175.6822 17 S 3.4260 7.9305 112.5197 59.1236 60.0807 169.6383 18 R 4.3834 7.5730 121.4972 55.1087 34.4800 176.4602 19 K 4.1456 8.8886 117.1231 56.5736 29.8917 176.8385 20 A 4.8206 8.0957 118.7439 49.6453 22.2075 175.4868 21 K 4.4271 8.3512 119.7935 55.6293 33.1518 178.2430 22 V 3.4080 8.2333 124.3434 66.0575 31.6097 177.1435 23 K 4.2434 8.0494 118.7090 59.5777 32.1665 177.5136 24 A 4.1369 8.1666 119.6898 55.5245 18.8813 178.3938 25 T 4.2629 7.3197 113.0890 60.5219 67.1428 173.6389 26 L 4.4325 6.8939 122.5285 55.0067 45.9250 174.1213 27 G 4.2128 8.4217 112.7328 45.2714 0.0000 173.3457 28 E 4.2260 8.7959 125.3937 55.7284 30.3878 176.0820 29 F 4.9016 7.8538 119.3241 55.5385 40.9853 173.8320 30 D 4.5880 8.6268 121.6989 52.6789 39.9998 176.9026 31 L 4.1705 8.3371 126.9742 56.7460 41.7581 178.2039 32 R 4.2978 8.6181 117.6640 56.0206 30.6429 175.7178 33 D 4.4564 8.2644 118.5571 54.0690 39.8941 175.4275 34 Y 4.3732 7.9847 123.6726 57.2481 37.7308 176.7567 35 R 4.5337 7.7252 117.2979 55.7096 32.8860 176.4324 36 N 4.6546 7.7516 118.0250 52.2072 35.0805 174.8117 37 V 3.5764 7.6702 124.1873 66.3685 31.7923 176.7274 38 E 3.9543 8.0697 116.8347 59.1671 29.6613 179.3082 39 V 3.6472 7.5787 118.5279 64.6300 31.8666 178.0297 40 L 4.1328 8.1985 120.6996 57.5225 41.6785 179.3923 41 K 3.5941 8.0149 119.2044 60.0076 31.7341 178.3982 42 R 3.7796 7.6110 117.3305 58.8609 30.1159 178.0342 43 F 4.4949 8.7976 116.0965 57.0096 39.2704 175.3809 44 L 4.9226 7.0026 118.9022 53.3234 42.9859 177.4765 45 S 4.5422 8.7107 116.3792 57.6540 64.9319 173.5004 46 E 4.0044 8.7593 118.5618 60.0565 29.3026 177.7262 47 T 4.3325 7.5210 114.3877 62.5488 69.6875 175.0228 48 G 4.1111 8.5163 108.4968 46.1019 0.0000 174.0695 49 K 4.2629 7.6801 119.9803 55.9553 33.4428 176.4564 50 I 4.2954 8.2238 124.5331 60.7747 37.5317 176.0965 51 L 4.2422 8.7380 128.1392 54.1821 42.3736 175.7107 52 P 4.5746 0.0000 0.0000 61.9995 32.4835 177.8777 53 R 4.4162 8.5499 119.6959 59.2438 29.6449 179.2768 54 R 3.8909 8.0534 116.1547 59.0662 30.2742 178.1140 55 R 4.4024 7.6886 116.2574 58.4519 31.2582 178.7058 56 T 4.2503 8.3611 109.3835 62.6577 68.3408 175.3358 57 G 4.0741 8.0857 108.6812 46.2185 0.0000 173.5566 58 L 4.5122 7.6816 119.6086 53.9399 42.9318 176.5980 59 S 4.8033 9.1250 114.3391 56.6315 66.3132 174.7989 60 A 3.9401 8.4764 125.7887 55.6222 17.9734 180.2321 61 K 3.8974 7.9694 117.2818 59.5322 32.3984 178.7176 62 E 3.8658 8.0317 118.8480 59.4892 29.5787 178.7642 63 Q 3.8551 8.6487 120.0581 59.5087 28.8593 178.8340 64 R 3.8844 7.8097 118.8049 59.5364 30.0878 178.6138 65 I 3.7152 7.4698 119.5845 64.0975 37.1034 177.7778 66 L 3.8593 8.5665 122.6866 57.5971 41.9022 178.6801 67 A 3.9989 8.2971 120.7335 55.2622 17.9985 179.6210 68 K 3.8636 7.5895 117.2962 59.7153 32.7608 178.9609 69 T 4.0241 8.0145 110.0106 65.0474 68.6916 176.1239 70 I 3.7642 8.2048 124.0401 64.0086 37.2094 178.3815 71 K 3.8368 7.9740 118.6737 59.3039 31.7885 179.6755 72 R 3.7572 8.2753 118.5107 59.2153 30.1243 178.5493 73 A 4.0697 8.1472 120.0114 55.5721 18.1263 179.7039 74 R 4.2909 7.9122 117.5391 59.0833 29.8379 179.4769 75 I 3.9294 7.4355 117.9888 64.1056 37.1570 177.6447 76 L 4.3615 7.9145 117.3300 54.7976 41.7510 177.9693 77 G 4.0686 8.2659 108.0369 45.3990 0.0000 174.9306 78 L 4.1733 7.7370 119.3795 56.6587 42.1911 177.1436 79 L 4.8809 7.4791 116.8039 51.7850 45.4052 173.9548 80 P 4.7956 0.0000 0.0000 62.6602 32.2917 176.3465 81 F 4.2766 8.7877 118.2813 59.9537 39.6577 176.1124 82 T 4.5519 7.4049 110.9507 61.2271 69.7900 171.8259 83 E 4.8395 8.4285 124.7987 54.2295 33.4573 175.7463 84 K 4.2039 8.3616 120.1766 55.7880 32.9833 176.7760 85 L 4.1400 8.3583 124.8911 54.6589 42.4166 176.4180 86 V 4.1683 8.1903 125.7186 62.6267 33.7793 176.6907 87 R 3.9700 8.0741 121.5265 58.4253 27.9944 176.1485 88 K 4.2159 8.7174 114.3567 56.5095 31.4322 175.9536 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 16 P 0.00 4.24 0.00 2.20 2.24 0.00 3.89 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 1.89 1.96 0.00 17 S 7.93 3.43 0.00 4.06 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 18 R 7.57 4.38 0.00 1.84 1.89 0.00 3.42 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 19 K 8.89 4.15 0.00 1.78 1.83 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 1.43 7.81 20 A 8.10 4.82 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 21 K 8.35 4.43 0.00 1.90 1.78 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.55 1.73 7.81 22 V 8.23 3.41 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 -0.23 0.00 0.00 0.82 0.00 0.00 23 K 8.05 4.24 0.00 2.13 1.97 0.00 1.98 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.68 7.81 24 A 8.17 4.14 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.32 4.26 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 1.15 0.00 0.00 26 L 6.89 4.43 0.00 1.71 1.70 0.70 0.26 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 27 G 8.42 4.21 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 0.00 28 E 8.80 4.23 0.00 1.95 1.89 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 2.30 2.24 0.00 29 F 7.85 4.90 0.00 3.16 2.97 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 30 D 8.63 4.59 0.00 2.71 2.67 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 31 L 8.34 4.17 0.00 1.64 1.72 0.81 0.97 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 32 R 8.62 4.30 0.00 1.72 2.04 0.00 3.28 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 33 D 8.26 4.46 0.00 2.74 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 34 Y 7.98 4.37 0.00 3.12 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 35 R 7.73 4.53 0.00 1.70 1.85 0.00 3.12 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.87 0.00 36 N 7.75 4.65 0.00 3.17 2.74 0.00 0.00 6.66 7.59 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 37 V 7.67 3.58 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 1.01 0.00 0.00 0.96 0.00 0.00 38 E 8.07 3.95 0.00 1.95 1.96 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 2.30 2.29 0.00 39 V 7.58 3.65 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 0.93 0.00 0.00 0.62 0.00 0.00 40 L 8.20 4.13 0.00 1.72 1.83 0.97 0.79 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 41 K 8.01 3.59 0.00 1.91 1.87 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.42 1.51 7.81 42 R 7.61 3.78 0.00 1.60 1.36 0.00 3.13 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 43 F 8.80 4.49 0.00 3.17 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 44 L 7.00 4.92 0.00 1.66 1.59 0.91 0.87 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 45 S 8.71 4.54 0.00 3.94 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 46 E 8.76 4.00 0.00 1.96 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 0.00 2.31 2.39 0.00 47 T 7.52 4.33 4.26 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 1.30 0.00 0.00 48 G 8.52 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.68 4.26 0.00 1.69 1.76 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.44 7.81 50 I 8.22 4.30 1.88 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 1.34 0.46 0.92 0.00 0.00 51 L 8.74 4.24 0.00 1.68 1.67 0.93 1.39 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 52 P 0.00 4.57 0.00 2.20 1.99 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 53 R 8.55 4.42 0.00 1.83 2.00 0.00 3.75 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.54 0.00 54 R 8.05 3.89 0.00 1.77 2.05 0.00 3.25 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 55 R 7.69 4.40 0.00 1.85 1.98 0.00 3.31 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 56 T 8.36 4.25 4.64 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 1.52 0.00 0.00 57 G 8.09 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 0.00 0.00 0.00 58 L 7.68 4.51 0.00 1.70 1.65 0.65 0.85 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 59 S 9.13 4.80 0.00 3.97 4.04 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 0.00 0.00 0.00 60 A 8.48 3.94 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 61 K 7.97 3.90 0.00 1.82 1.79 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.51 7.81 62 E 8.03 3.87 0.00 2.23 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 2.27 2.28 0.00 63 Q 8.65 3.86 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 64 R 7.81 3.88 0.00 2.13 1.97 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 65 I 7.47 3.72 1.97 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 1.39 0.75 0.97 0.00 0.00 66 L 8.57 3.86 0.00 1.45 1.65 0.34 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.30 4.00 1.35 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 68 K 7.59 3.86 0.00 1.84 1.92 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.47 7.81 69 T 8.01 4.02 4.34 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 1.43 0.00 0.00 70 I 8.20 3.76 1.83 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 1.53 0.68 0.85 0.00 0.00 71 K 7.97 3.84 0.00 1.97 1.84 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.65 7.81 72 R 8.28 3.76 0.00 2.01 1.75 0.00 3.02 0.00 0.00 2.52 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.76 0.00 73 A 8.15 4.07 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.91 4.29 0.00 1.50 0.66 0.00 2.74 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.41 0.00 75 I 7.44 3.93 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.81 0.97 0.00 0.00 76 L 7.91 4.36 0.00 1.82 1.77 1.09 0.86 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 77 G 8.27 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 0.00 0.00 0.00 78 L 7.74 4.17 0.00 1.82 1.76 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.48 4.88 0.00 1.55 1.43 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.80 0.00 2.21 2.07 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 81 F 8.79 4.28 0.00 3.03 3.18 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 0.00 0.00 0.00 0.00 82 T 7.40 4.55 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 83 E 8.43 4.84 0.00 2.05 1.79 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 0.00 2.22 2.25 0.00 84 K 8.36 4.20 0.00 1.75 1.74 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.43 7.81 85 L 8.36 4.14 0.00 1.59 1.59 0.92 0.92 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 86 V 8.19 4.17 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 0.84 0.00 0.00 0.93 0.00 0.00 87 R 8.07 3.97 0.00 1.97 1.93 0.00 3.26 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 88 K 8.72 4.22 0.00 1.85 2.13 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 1.37 7.81