NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 I 4.1654 7.8827 114.4091 61.2780 38.7843 174.1326 32 T 4.6028 8.3369 122.9108 60.3466 69.8439 172.4906 33 C 4.8642 8.4537 121.4880 54.0401 43.3223 171.7142 34 P 4.6122 0.0000 0.0000 61.7166 31.4639 174.3823 35 P 4.2807 0.0000 0.0000 61.4328 31.4540 174.2415 36 P 4.1012 0.0000 0.0000 62.8540 30.9117 175.8577 37 M 4.7194 8.1657 123.1904 53.0980 33.0984 175.1914 38 S 4.0175 7.8575 126.4174 55.5889 66.3558 173.0811 39 V 2.9371 8.7813 122.8271 59.4114 30.5586 173.2981 40 E 4.3746 7.5499 127.9842 54.9621 27.9467 175.4423 41 H 4.6501 7.3314 118.9327 54.8967 29.3081 175.0383 42 A 4.7716 7.2301 117.4741 51.3946 22.2622 176.7171 43 D 5.1261 8.9020 120.0077 52.7653 43.8717 175.5157 44 I 4.8731 8.1852 120.1087 59.0145 41.5138 174.1420 45 W 4.5049 8.6197 135.0000 55.3280 33.1648 175.4008 46 V 4.3517 8.0697 125.6495 60.5147 31.6819 174.0217 47 K 4.1735 8.8573 126.2436 59.1052 32.7331 177.9653 48 S 4.3379 7.6347 109.4730 56.4860 64.3984 174.2987 49 Y 3.8534 7.5940 118.3430 61.4018 37.1343 169.4108 50 S 4.9292 8.3099 112.4295 58.2901 64.7581 177.3067 51 L 3.7365 8.1789 128.5495 56.6144 42.4526 176.6602 52 Y 4.0066 7.8558 123.0640 59.7209 36.0747 170.2515 53 S 4.9341 7.7304 112.8649 56.6551 65.6596 173.0219 54 R 5.2035 8.6883 125.3134 55.0583 31.7646 175.5936 55 E 4.8550 9.6291 122.4889 54.5350 33.9715 174.5278 56 R 5.6933 8.3074 119.3864 53.7612 32.1417 175.3345 57 Y 4.2233 8.4969 119.4757 57.9921 39.0264 176.2644 58 I 4.0065 9.0035 123.4605 61.4313 37.6642 176.0503 59 C 4.1032 8.6339 122.6588 56.3357 34.3113 171.7926 60 N 4.7412 8.1573 118.0298 53.0365 39.0753 174.1902 61 S 4.3478 7.9137 114.6533 59.4397 60.2943 172.0879 62 G 4.2305 8.9947 114.6973 45.1455 0.0000 172.1135 63 F 4.4388 7.6707 116.8229 58.1536 39.7329 175.0687 64 K 4.7424 8.4067 121.8627 54.2835 35.5008 175.4284 65 R 4.4408 8.5796 124.5016 55.9910 30.2847 176.4956 66 K 3.8718 8.9680 126.0166 56.2904 33.7635 175.5519 67 A 4.1463 8.5111 127.0930 56.7311 17.7007 176.5668 68 G 4.1073 9.0202 111.4306 47.0971 0.0000 173.5033 69 T 3.8679 7.4101 113.8260 62.1539 67.5435 173.0804 70 S 4.6274 8.6276 121.6702 56.7071 65.1769 173.7592 71 S 4.9171 8.5693 124.7144 56.9819 61.6881 173.5438 72 L 4.7065 7.8666 122.6476 54.4961 43.2230 175.8160 73 T 5.0220 8.9279 122.2487 60.2684 68.1759 172.4196 74 E 5.1719 8.7120 130.2398 54.3095 32.6807 176.2140 75 C 4.5477 8.7004 128.2238 55.5670 37.5297 171.1680 76 V 4.4729 7.3957 115.3636 59.9813 33.4784 175.1369 77 L 3.9000 8.8614 127.7271 54.2041 42.6509 176.6753 78 N 4.2545 8.7460 122.7520 53.4242 38.3678 174.8928 79 K 3.9167 8.0341 112.7250 56.5612 30.4987 174.9411 80 A 4.6866 7.6238 120.3182 54.0708 24.8816 179.1580 81 T 3.9435 7.9494 108.1584 62.7134 67.5578 174.2705 82 N 4.2370 7.7399 115.6475 54.4048 37.3016 173.7213 83 V 4.3758 7.2387 117.1503 59.3089 33.4094 175.4026 84 A 4.5747 8.8541 128.0255 51.9565 19.0036 176.0227 85 H 4.5569 8.4546 119.4392 53.4931 32.1083 174.0646 86 W 4.9048 8.2476 115.5180 58.6980 28.6167 175.8831 87 T 3.1845 7.4707 107.3700 62.6922 71.3872 172.5251 88 T 4.6910 8.1188 117.1815 61.4905 69.2055 169.7996 89 P 4.6841 0.0000 0.0000 61.3466 32.7947 176.8248 90 S 4.0079 8.8808 119.9511 61.2014 63.0273 173.0935 91 L 3.3886 7.2208 120.6176 55.7571 42.0159 174.5340 92 K 4.5758 8.4965 125.1579 54.6494 32.3933 172.9108 93 C 5.1454 8.4443 118.1848 56.4584 39.6793 172.9519 94 I 3.7970 8.6233 118.4900 58.0555 40.3663 175.1069 95 R 4.0018 6.8827 121.8279 56.1705 29.8655 175.8521 96 D 4.5410 8.4278 118.0025 53.5993 39.5230 175.7002 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 31 I 7.88 4.17 1.80 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 1.19 0.69 0.86 0.00 0.00 32 T 8.34 4.60 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 1.30 0.00 0.00 33 C 8.45 4.86 0.00 3.13 2.77 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 34 P 0.00 4.61 0.00 2.24 2.10 0.00 3.89 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 35 P 0.00 4.28 0.00 2.20 2.23 0.00 3.44 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 36 P 0.00 4.10 0.00 1.79 0.83 0.00 3.12 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.68 0.00 37 M 8.17 4.72 0.00 1.92 1.92 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 2.44 2.43 0.00 38 S 7.86 4.02 0.00 3.80 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 39 V 8.78 2.94 1.23 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 0.27 0.00 0.00 0.28 0.00 0.00 40 E 7.55 4.37 0.00 1.86 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 2.05 2.13 0.00 41 H 7.33 4.65 0.00 3.28 3.62 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.23 4.77 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 43 D 8.90 5.13 0.00 2.67 2.69 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 44 I 8.19 4.87 1.16 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.55 0.64 0.00 0.00 45 W 8.62 4.50 0.00 3.41 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.07 4.35 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 0.80 0.00 0.00 1.29 0.00 0.00 47 K 8.86 4.17 0.00 1.92 2.10 0.00 1.52 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.44 7.81 48 S 7.63 4.34 0.00 3.93 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 49 Y 7.59 3.85 0.00 3.28 3.23 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 0.00 50 S 8.31 4.93 0.00 3.94 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.18 3.74 0.00 1.66 1.42 0.09 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 7.86 4.01 0.00 3.15 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.73 4.93 0.00 4.00 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 54 R 8.69 5.20 0.00 1.79 1.90 0.00 3.24 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.69 0.00 55 E 9.63 4.86 0.00 1.63 1.50 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 0.00 2.12 2.29 0.00 56 R 8.31 5.69 0.00 1.83 1.92 0.00 2.68 0.00 0.00 3.91 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 57 Y 8.50 4.22 0.00 2.98 2.96 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 58 I 9.00 4.01 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.82 0.97 0.00 0.00 59 C 8.63 4.10 0.00 3.27 3.26 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 60 N 8.16 4.74 0.00 2.43 1.48 0.00 0.00 6.33 7.06 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 61 S 7.91 4.35 0.00 3.82 3.73 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 62 G 8.99 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 0.00 0.00 0.00 0.00 63 F 7.67 4.44 0.00 3.07 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 64 K 8.41 4.74 0.00 1.98 1.72 0.00 1.55 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.43 7.81 65 R 8.58 4.44 0.00 1.76 1.89 0.00 3.60 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 66 K 8.97 3.87 0.00 1.87 1.82 0.00 1.50 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.47 7.81 67 A 8.51 4.15 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 68 G 9.02 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 69 T 7.41 3.87 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 1.30 0.00 0.00 70 S 8.63 4.63 0.00 3.86 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 71 S 8.57 4.92 0.00 4.25 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 72 L 7.87 4.71 0.00 1.72 1.69 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.93 5.02 4.55 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 1.00 0.00 0.00 74 E 8.71 5.17 0.00 2.14 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 75 C 8.70 4.55 0.00 1.86 2.54 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 0.00 0.00 0.00 0.00 76 V 7.40 4.47 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 0.78 0.00 0.00 0.94 0.00 0.00 77 L 8.86 3.90 0.00 1.48 1.60 0.87 0.40 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 78 N 8.75 4.25 0.00 2.80 2.79 0.00 0.00 7.35 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.03 3.92 0.00 1.91 1.83 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.52 7.81 80 A 7.62 4.69 1.23 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 0.00 0.00 0.00 81 T 7.95 3.94 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 1.30 0.00 0.00 82 N 7.74 4.24 0.00 2.79 2.82 0.00 0.00 6.70 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.24 4.38 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 0.70 0.00 0.00 0.88 0.00 0.00 84 A 8.85 4.57 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.45 4.56 0.00 3.19 3.30 0.00 5.44 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 W 8.25 4.90 0.00 3.24 3.11 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 87 T 7.47 3.18 4.30 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 1.31 0.00 0.00 88 T 8.12 4.69 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 89 P 0.00 4.68 0.00 2.23 2.15 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.16 0.00 90 S 8.88 4.01 0.00 3.89 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 91 L 7.22 3.39 0.00 1.61 1.52 0.93 0.66 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 92 K 8.50 4.58 0.00 1.70 1.67 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.38 7.81 93 C 8.44 5.15 0.00 3.22 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 8.62 3.80 1.56 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.67 0.71 0.00 0.00 95 R 6.88 4.00 0.00 1.87 1.88 0.00 2.93 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 96 D 8.43 4.54 0.00 2.75 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