NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4791 8.3349 116.7943 57.6145 65.0518 173.3980 3 K 4.4023 7.4020 119.6901 54.6711 35.6854 175.5025 4 G 4.0439 8.3064 110.6166 46.7562 0.0000 173.2418 5 H 4.8962 8.1067 113.5874 55.4900 29.4017 177.2615 6 S 4.0827 7.6203 117.1071 61.9998 62.3003 174.1665 7 L 4.3864 7.6887 121.5850 56.9708 42.6886 177.7091 8 Q 3.9153 8.0082 118.9515 59.3812 28.8120 178.1656 9 D 4.3125 8.4299 119.9020 56.9290 40.8790 176.8722 10 P 4.2646 0.0000 0.0000 65.8006 31.3992 177.6619 11 Y 3.9855 7.9256 118.0652 60.9574 38.6636 178.2662 12 L 3.7801 8.1226 119.6230 57.7983 41.5760 179.1577 13 N 4.5578 8.7758 117.4087 56.8857 38.7910 177.1461 14 T 3.7990 8.1431 117.5771 66.7035 68.6123 176.5004 15 L 3.8280 7.7079 120.8252 57.8732 41.4999 179.7578 16 R 4.0798 7.9139 119.7438 58.8132 29.9513 178.3149 17 K 3.7616 8.0264 117.5186 59.5933 32.1558 177.5224 18 E 4.3165 8.2714 115.8513 55.0850 29.5365 175.7189 19 R 3.7234 7.7569 114.7527 57.1973 28.3050 176.7136 20 V 3.8592 7.5737 116.8310 61.8702 32.5714 174.3418 21 P 4.6379 0.0000 0.0000 63.0970 32.5095 175.7458 22 V 4.9254 8.8960 116.5385 59.7906 36.6598 174.3475 23 S 5.0936 8.9867 118.7324 56.9644 65.4248 173.3946 24 I 4.9059 8.9070 126.0271 59.8312 39.4728 174.1886 25 Y 4.7358 8.9552 126.4155 57.0333 39.1738 175.8537 26 L 4.8209 9.1708 124.8947 53.8036 43.1296 178.6358 27 V 3.6447 8.8099 115.1399 64.3455 31.5551 177.2649 28 N 4.6461 8.1266 114.9396 52.7799 37.5736 174.0989 29 G 4.2130 8.6780 108.3638 45.9049 0.0000 174.6967 30 I 3.8451 7.7480 119.4780 61.6974 38.5940 175.1932 31 K 4.6150 8.4380 124.9085 54.6117 34.3923 175.0425 32 L 4.8043 8.6144 127.3194 53.1549 44.3704 175.5805 33 Q 5.3732 9.1003 119.8356 52.5776 32.5545 176.7770 34 G 3.8686 7.3778 106.5938 46.0675 0.0000 170.8283 35 Q 4.7434 8.1139 119.8106 53.8548 33.0133 175.2403 36 I 4.1463 8.3755 123.7459 61.7846 37.1279 176.1237 37 E 4.1483 9.0105 130.1814 58.9397 30.4745 176.0707 38 S 4.7986 7.7077 111.9269 58.4606 66.1351 173.9615 39 F 5.1637 7.9044 112.7820 56.3758 38.9091 173.3216 40 D 4.5557 8.5177 121.9264 52.4661 40.6674 176.4854 41 Q 4.0127 8.7836 117.1367 58.4646 29.3995 177.6967 42 F 4.9825 7.9794 113.2058 57.4542 41.5733 175.0260 43 V 5.0622 8.5117 112.4273 59.5233 36.4914 174.6720 44 I 5.0817 8.7079 122.1686 59.5662 41.0767 174.5618 45 L 4.6627 9.2006 129.7667 54.1616 43.4118 175.1595 46 L 4.9152 9.1902 130.6424 53.1018 43.0647 174.7454 47 K 4.3372 8.9237 129.0326 55.5308 32.8888 173.6172 48 N 4.8814 8.5607 129.1698 53.3543 39.8838 174.9215 49 T 4.6112 8.4239 103.5575 59.8785 67.7090 174.7182 50 V 5.2220 7.1562 123.7620 59.1072 33.5737 175.1596 51 S 4.6598 8.5579 120.9581 59.7152 64.2629 173.2393 52 Q 4.5284 8.6449 124.0274 54.5523 32.3946 173.2207 53 M 4.6620 8.7445 126.4122 54.6038 33.4614 174.9362 54 V 4.4334 8.8414 126.6899 61.1062 34.3161 174.3982 55 Y 4.5781 8.6421 125.8360 57.5088 38.7186 176.8330 56 K 3.9666 9.2967 125.0136 59.4632 32.3772 179.1305 57 A 4.0735 8.3198 120.0517 54.2668 18.5725 177.5305 58 A 4.5811 8.2469 117.6656 51.9779 19.7929 176.3039 59 I 4.6383 7.6087 117.9557 60.0961 38.6090 175.6278 60 S 4.6107 8.9232 120.1553 60.4436 64.2418 174.4048 61 T 4.7030 7.7357 113.4030 60.1647 70.9717 172.1693 62 V 4.7859 8.4373 126.4530 61.1639 33.8644 174.8059 63 V 4.4290 9.0096 128.7460 60.4006 33.4077 173.1583 64 P 4.8086 0.0000 0.0000 62.5837 31.5238 177.1238 65 S 4.5283 8.6463 117.2661 60.4330 63.6775 174.4627 66 R 4.7238 7.6949 114.6289 53.1471 32.4172 172.8950 67 P 4.3059 0.0000 0.0000 62.9328 31.8447 176.1973 68 V 4.3022 8.1622 120.9796 60.8986 33.7557 174.9531 69 R 4.4882 8.4896 123.6570 54.9235 30.9694 175.4655 70 L 4.7137 8.1022 119.8192 51.9959 43.8625 174.7178 71 P 4.0628 0.0000 0.0000 64.6340 31.8262 176.2964 72 S 4.0010 8.7965 115.7994 58.8450 63.3093 171.4346 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 S 8.33 4.48 0.00 3.87 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 3 K 7.40 4.40 0.00 1.84 1.64 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.49 7.81 4 G 8.31 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 0.00 0.00 0.00 5 H 8.11 4.90 0.00 3.41 3.52 0.00 5.50 0.00 0.00 0.00 0.00 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.62 4.08 0.00 4.20 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 7 L 7.69 4.39 0.00 1.78 1.60 0.89 0.49 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 8 Q 8.01 3.92 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 9 D 8.43 4.31 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 10 P 0.00 4.26 0.00 2.21 2.13 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.18 0.00 11 Y 7.93 3.99 0.00 3.13 3.02 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 0.00 0.00 0.00 12 L 8.12 3.78 0.00 0.96 0.55 0.31 0.38 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 13 N 8.78 4.56 0.00 3.13 2.98 0.00 0.00 7.26 7.50 0.00 0.00 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 T 8.14 3.80 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 1.16 0.00 0.00 15 L 7.71 3.83 0.00 1.70 1.63 0.76 0.44 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 16 R 7.91 4.08 0.00 2.00 2.16 0.00 3.31 0.00 0.00 3.39 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 17 K 8.03 3.76 0.00 1.94 1.88 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.57 7.81 18 E 8.27 4.32 0.00 1.88 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 2.25 2.25 0.00 19 R 7.76 3.72 0.00 1.93 2.10 0.00 3.21 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 20 V 7.57 3.86 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 0.86 0.00 0.00 21 P 0.00 4.64 0.00 2.10 1.95 0.00 3.57 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 22 V 8.90 4.93 2.10 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 0.86 0.00 0.00 0.93 0.00 0.00 23 S 8.99 5.09 0.00 3.82 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.91 4.91 1.84 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 1.25 0.74 0.93 0.00 0.00 25 Y 8.96 4.74 0.00 2.97 2.91 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 26 L 9.17 4.82 0.00 1.77 1.71 0.94 0.84 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 27 V 8.81 3.64 2.10 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 0.73 0.00 0.00 1.02 0.00 0.00 28 N 8.13 4.65 0.00 2.83 2.93 0.00 0.00 6.33 7.00 0.00 0.00 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 G 8.68 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 30 I 7.75 3.85 1.95 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 1.39 0.82 0.90 0.00 0.00 31 K 8.44 4.62 0.00 1.31 1.49 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.02 0.61 7.81 32 L 8.61 4.80 0.00 1.55 1.49 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 9.10 5.37 0.00 1.84 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.19 2.06 0.00 34 G 7.38 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.11 4.74 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 36 I 8.38 4.15 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.67 0.99 0.00 0.00 37 E 9.01 4.15 0.00 1.99 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 2.32 2.30 0.00 38 S 7.71 4.80 0.00 3.79 3.90 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 39 F 7.90 5.16 0.00 3.24 2.99 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 40 D 8.52 4.56 0.00 2.83 2.64 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 0.00 41 Q 8.78 4.01 0.00 1.72 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.91 0.00 0.00 0.00 0.00 0.00 1.32 2.04 0.00 42 F 7.98 4.98 0.00 3.15 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 43 V 8.51 5.06 1.90 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 0.36 0.00 0.00 0.93 0.00 0.00 44 I 8.71 5.08 1.89 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 1.17 0.87 0.94 0.00 0.00 45 L 9.20 4.66 0.00 1.72 1.56 0.97 0.39 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 46 L 9.19 4.92 0.00 1.76 1.54 0.95 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.92 4.34 0.00 1.87 1.82 0.00 1.93 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.22 7.81 48 N 8.56 4.88 0.00 2.77 2.61 0.00 0.00 6.20 7.10 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 49 T 8.42 4.61 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 50 V 7.16 5.22 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 1.06 0.00 0.00 0.93 0.00 0.00 51 S 8.56 4.66 0.00 3.78 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 52 Q 8.64 4.53 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 53 M 8.74 4.66 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.21 0.00 54 V 8.84 4.43 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 1.03 0.00 0.00 0.93 0.00 0.00 55 Y 8.64 4.58 0.00 3.12 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 56 K 9.30 3.97 0.00 1.92 1.93 0.00 1.84 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.50 1.51 7.81 57 A 8.32 4.07 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 58 A 8.25 4.58 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.61 4.64 2.03 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 1.40 0.86 1.01 0.00 0.00 60 S 8.92 4.61 0.00 3.88 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 61 T 7.74 4.70 4.23 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 0.00 0.00 0.00 1.24 0.00 0.00 62 V 8.44 4.79 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 0.94 0.00 0.00 0.97 0.00 0.00 63 V 9.01 4.43 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 1.06 0.00 0.00 64 P 0.00 4.81 0.00 2.11 1.92 0.00 3.84 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 65 S 8.65 4.53 0.00 3.90 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 66 R 7.69 4.72 0.00 1.85 1.87 0.00 3.08 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 67 P 0.00 4.31 0.00 2.06 2.04 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 68 V 8.16 4.30 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 0.66 0.00 0.00 0.89 0.00 0.00 69 R 8.49 4.49 0.00 1.96 1.90 0.00 3.05 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 70 L 8.10 4.71 0.00 1.68 1.65 1.08 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.06 0.00 2.05 2.03 0.00 3.84 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 72 S 8.80 4.00 0.00 3.91 3.75 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