NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.5083 8.1933 115.4145 57.9365 64.3601 174.7578 5 L 3.9252 8.6050 124.1734 57.2618 42.0009 176.8950 6 S 4.1634 8.6249 114.3642 61.6640 63.6668 173.6137 7 Y 4.1078 7.3577 121.3254 57.8633 38.2657 175.7264 8 R 3.8627 7.9373 127.3056 55.1394 30.7082 177.4033 9 C 4.0539 8.3652 120.9344 56.5871 40.5898 171.9037 10 P 4.1637 0.0000 0.0000 65.2573 31.1178 177.2532 11 C 4.7262 8.0429 115.6027 55.8312 40.6558 173.1705 12 R 4.1088 8.6387 123.7516 56.3954 31.5397 176.6316 13 F 4.8573 8.0278 114.1307 55.2843 42.6981 173.7757 14 F 5.2259 7.9327 117.1636 54.9208 40.7085 174.3644 15 E 4.4664 9.2124 122.5247 55.7613 30.1410 177.6086 16 S 4.6087 8.6864 117.1217 59.0846 64.1170 174.2383 17 H 5.0051 7.9188 118.1507 53.5094 28.5168 171.1317 18 I 4.5763 8.0525 120.5878 59.1059 40.5763 174.9322 19 A 4.4292 8.4022 127.4401 49.8556 21.5714 177.1485 20 R 2.5100 6.8189 121.3045 58.9588 30.1116 178.5316 21 A 3.9153 7.6480 118.7587 54.9487 18.4960 177.6287 22 N 4.5623 8.2554 111.5881 53.0784 37.7845 174.3935 23 V 4.5472 7.2221 119.8655 61.5813 32.7646 175.5706 24 K 4.3812 8.7920 127.9389 59.4418 32.3275 176.8926 25 H 5.0821 7.7279 113.1504 54.5054 31.8301 172.0106 26 L 5.0947 8.6616 119.4205 53.9071 43.1929 176.1772 27 K 4.6665 9.2166 122.1792 54.6804 35.1763 175.1054 28 I 4.7796 8.3947 125.6454 59.5305 38.6706 175.2962 29 L 4.2170 8.9183 128.5236 53.7528 42.3288 178.0472 30 N 4.6813 8.3791 123.3669 52.6605 38.0662 175.8309 31 T 4.7059 7.1691 112.5410 59.0568 69.0524 173.8031 32 P 4.3382 0.0000 0.0000 65.9634 32.1161 178.2782 33 N 4.4328 8.1227 117.0865 56.1817 39.1877 175.6498 34 C 4.6286 7.9715 114.8796 55.6814 41.3262 173.5053 35 A 3.9821 8.7550 126.5826 54.5102 18.1552 177.7798 36 L 4.6305 7.7669 115.4588 53.4859 43.1128 176.0112 37 Q 4.6684 8.6067 120.7985 55.3642 31.3810 174.6907 38 I 4.8983 7.6673 121.1417 59.3877 39.9653 174.5940 39 V 4.8852 8.8862 126.4984 60.9242 34.8419 173.8396 40 A 5.1916 8.9613 128.5287 50.0431 22.0041 175.2434 41 R 4.5221 8.5924 123.3035 55.8537 31.7282 175.0770 42 L 5.2062 8.5239 126.4229 53.1311 43.9033 175.6570 43 K 4.3611 8.6352 123.3246 57.3200 33.6544 175.0987 44 N 4.8678 9.2997 126.6148 53.3687 35.8542 175.4831 45 N 4.2990 8.1396 114.5351 54.6424 39.2412 176.8062 46 N 4.4719 8.2495 112.3455 53.7818 38.7990 174.1669 47 R 4.2229 7.3659 114.7967 57.1032 31.5169 175.3078 48 Q 5.0978 8.5328 120.3727 54.6101 30.5600 175.5109 49 V 4.6272 8.6576 116.4461 59.5229 35.9386 174.3555 50 C 5.1560 8.8051 120.8104 56.8481 41.4355 172.6712 51 I 5.2017 8.0581 116.1039 58.5403 40.3290 174.7936 52 D 3.4263 8.7191 123.9778 54.0030 41.2629 175.7010 53 P 4.0913 0.0000 0.0000 64.7599 31.6633 176.9971 54 K 4.1749 7.6851 117.3568 55.9837 32.4315 176.6987 55 L 3.9113 7.2099 121.6594 54.6000 41.6533 178.2851 56 K 3.9502 8.7725 123.9370 59.2029 32.1077 179.2226 57 W 4.8388 7.9135 117.3085 58.5508 28.2164 178.3645 58 I 3.0728 6.7705 121.5004 63.8781 36.2763 177.8781 59 Q 3.9266 7.5825 120.0011 59.3952 28.8241 178.2987 60 E 4.1630 8.2459 119.0440 59.4274 29.4116 178.2844 61 Y 4.1593 8.3951 119.6583 61.1074 38.7409 178.5920 62 L 4.1304 8.3585 119.6030 57.8058 41.5080 179.3085 63 E 3.9978 8.2940 117.8997 59.3803 29.1583 179.2280 64 K 4.0727 8.3179 118.3557 59.4257 31.8872 179.2676 65 A 3.9896 7.5093 120.0016 54.9310 18.2715 179.2816 66 L 4.1271 7.4463 116.7974 57.3209 41.8652 176.8726 67 N 4.4305 7.6333 119.3138 53.8259 38.6151 174.4604 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 4 S 8.19 4.51 0.00 4.17 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 5 L 8.61 3.93 0.00 1.76 1.79 0.93 0.62 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 6 S 8.62 4.16 0.00 3.92 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 7 Y 7.36 4.11 0.00 2.91 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.94 3.86 0.00 1.62 1.65 0.00 3.37 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 9 C 8.37 4.05 0.00 2.85 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.16 0.00 2.06 2.14 0.00 3.69 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 2.10 2.15 0.00 11 C 8.04 4.73 0.00 3.15 3.09 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 0.00 0.00 0.00 0.00 12 R 8.64 4.11 0.00 1.82 1.47 0.00 3.10 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.69 0.00 13 F 8.03 4.86 0.00 2.86 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 14 F 7.93 5.23 0.00 3.01 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 15 E 9.21 4.47 0.00 2.09 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 2.35 2.43 0.00 16 S 8.69 4.61 0.00 3.88 4.12 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 0.00 0.00 0.00 17 H 7.92 5.01 0.00 3.19 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.05 4.58 2.09 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.56 1.09 0.00 0.00 19 A 8.40 4.43 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 20 R 6.82 2.51 0.00 0.77 1.49 0.00 3.17 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 21 A 7.65 3.92 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 22 N 8.26 4.56 0.00 2.88 3.01 0.00 0.00 6.44 7.19 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 23 V 7.22 4.55 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 0.82 0.00 0.00 0.89 0.00 0.00 24 K 8.79 4.38 0.00 1.85 1.91 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.40 7.81 25 H 7.73 5.08 0.00 3.27 3.45 0.00 5.44 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.66 5.09 0.00 1.65 1.66 0.89 0.47 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 27 K 9.22 4.67 0.00 1.68 1.72 0.00 1.67 0.00 0.00 1.98 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.53 7.81 28 I 8.39 4.78 1.89 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 1.38 0.88 0.91 0.00 0.00 29 L 8.92 4.22 0.00 1.51 1.63 0.96 1.08 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 30 N 8.38 4.68 0.00 2.68 2.75 0.00 0.00 6.82 7.70 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 31 T 7.17 4.71 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 32 P 0.00 4.34 0.00 2.19 2.23 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 33 N 8.12 4.43 0.00 2.70 2.96 0.00 0.00 7.01 7.65 0.00 0.00 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 C 7.97 4.63 0.00 3.17 3.01 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 35 A 8.75 3.98 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.77 4.63 0.00 1.79 1.65 1.09 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.61 4.67 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 38 I 7.67 4.90 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.80 0.80 0.00 0.00 39 V 8.89 4.89 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 1.00 0.00 0.00 0.96 0.00 0.00 40 A 8.96 5.19 1.25 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 0.00 0.00 0.00 41 R 8.59 4.52 0.00 1.79 1.55 0.00 3.13 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 42 L 8.52 5.21 0.00 1.66 1.55 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.64 4.36 0.00 1.74 1.79 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.36 7.81 44 N 9.30 4.87 0.00 2.90 3.28 0.00 0.00 6.14 8.04 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 45 N 8.14 4.30 0.00 2.78 2.98 0.00 0.00 6.53 6.92 0.00 0.00 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 N 8.25 4.47 0.00 2.85 2.93 0.00 0.00 7.32 6.93 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 47 R 7.37 4.22 0.00 1.88 1.84 0.00 3.23 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 48 Q 8.53 5.10 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 49 V 8.66 4.63 2.13 0.00 0.00 0.00 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 1.03 0.00 0.00 50 C 8.81 5.16 0.00 3.27 3.09 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 0.00 0.00 0.00 0.00 51 I 8.06 5.20 1.88 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 1.05 0.51 0.98 0.00 0.00 52 D 8.72 3.43 0.00 2.50 2.38 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 53 P 0.00 4.09 0.00 2.05 2.00 0.00 3.09 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 54 K 7.69 4.17 0.00 1.63 1.77 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.44 7.81 55 L 7.21 3.91 0.00 1.36 0.87 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.77 3.95 0.00 1.85 1.91 0.00 1.70 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.49 7.81 57 W 7.91 4.84 0.00 3.62 3.37 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 58 I 6.77 3.07 1.51 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.18 -0.36 0.62 0.00 0.00 59 Q 7.58 3.93 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 60 E 8.25 4.16 0.00 2.20 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 0.00 2.47 2.67 0.00 61 Y 8.40 4.16 0.00 3.62 3.35 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 62 L 8.36 4.13 0.00 1.92 1.76 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.29 4.00 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 64 K 8.32 4.07 0.00 1.95 1.78 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.46 7.81 65 A 7.51 3.99 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 66 L 7.45 4.13 0.00 1.73 1.73 0.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.63 4.43 0.00 2.72 2.76 0.00 0.00 6.87 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00