NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 H 4.7832 8.4293 116.3379 55.1488 30.3652 173.4534 15 V 4.0793 6.5448 116.4531 60.2772 34.1380 175.9877 16 F 4.2098 7.9640 121.0005 60.4671 39.6537 178.2121 17 K 3.9451 8.5256 119.2071 59.7416 31.7603 178.5544 18 S 4.1513 7.9962 113.4431 61.5583 63.6224 176.2389 19 R 4.3475 7.5684 123.7768 58.3469 29.7249 178.6210 20 L 3.9706 8.0004 119.3465 58.4578 42.1176 178.6412 21 Q 4.0397 7.9231 117.6109 59.5940 28.5257 179.6130 22 E 4.0577 8.9024 119.6084 59.3613 29.3683 178.6208 23 Y 4.0731 8.0596 119.2354 60.5548 38.6184 177.8157 24 A 4.1734 8.3403 121.0750 55.9095 18.7637 179.1521 25 Q 3.9969 8.0167 116.1792 58.7592 28.6102 178.7297 26 K 3.8558 8.1748 121.8250 58.8212 32.4070 176.6005 27 Y 4.5946 7.3220 115.7784 57.5759 39.1235 178.0135 28 K 3.8706 8.8408 118.7985 57.4249 31.8012 176.3098 29 L 4.2364 7.8148 118.3130 53.7603 42.1261 175.2177 30 P 4.4763 0.0000 0.0000 62.5488 31.9335 176.3186 31 T 4.0162 8.4732 110.8027 61.0809 69.2831 172.2227 32 P 3.8507 0.0000 0.0000 61.7449 31.7389 175.2358 33 V 4.1581 8.2428 123.4560 62.1378 32.8870 174.1333 34 Y 4.9588 8.6700 124.9433 56.3127 40.8002 174.7685 35 E 4.6618 8.7315 121.4788 54.7389 33.0017 174.0667 36 I 4.8359 8.5804 127.9617 59.9765 39.0232 176.1046 37 V 4.0663 8.9271 128.9698 61.6387 31.2998 173.8070 38 K 4.5345 8.3589 128.2376 55.4649 33.3628 175.4698 39 E 4.5241 8.3738 121.7318 56.0738 33.2206 174.7885 40 G 4.1615 9.1486 108.6625 42.4163 0.0000 171.1703 41 P 4.2773 0.0000 0.0000 62.7842 31.3491 176.4550 42 S 4.1587 8.8460 116.1501 61.6010 62.1030 174.8794 43 H 4.4322 8.0829 115.2865 58.2259 29.4924 176.5085 44 K 4.2411 7.0490 121.1955 55.3036 30.0897 177.3903 45 S 4.2933 7.5000 115.2063 58.3398 64.4143 175.4374 46 L 5.1664 8.0494 122.0990 52.9840 45.5410 175.5358 47 F 5.4587 9.4772 120.2710 55.8586 42.8700 173.9280 48 Q 5.1365 8.9181 122.4096 54.6303 32.6739 173.8344 49 S 5.8632 9.7121 118.0321 56.3933 66.4784 172.8058 50 T 5.9825 8.2992 119.6776 60.8417 72.1300 173.6091 51 V 3.6510 8.5086 126.6046 62.8657 33.1330 174.7940 52 I 5.8323 8.1306 126.3477 58.1415 37.4441 173.5826 53 L 4.4329 8.1552 127.0896 53.7014 44.5720 175.2206 54 D 4.3424 9.0260 123.0024 57.3692 40.1478 173.6434 55 G 3.9781 8.0791 100.7977 46.2709 0.0000 174.2724 56 V 4.3521 7.9572 118.1676 60.9995 35.3116 175.3738 57 R 4.9574 8.4172 126.5527 55.7795 31.4958 175.5081 58 Y 4.7217 8.8271 119.9138 56.4628 42.1610 173.8437 59 N 5.4091 8.8788 121.9138 51.7580 40.0413 175.3289 60 S 4.4563 9.6290 120.0764 57.8072 64.0337 174.4129 61 L 4.1028 8.4231 122.1872 54.7579 41.9343 175.2733 62 P 4.7710 0.0000 0.0000 62.1751 33.5480 174.4194 63 G 3.6434 8.5426 103.5435 46.5788 0.0000 173.7225 64 F 4.3168 8.5740 117.4985 56.3092 40.4806 177.1519 65 F 5.2166 8.5906 120.1426 58.2687 39.7411 175.4966 66 N 4.6723 7.7806 115.8333 49.6243 40.6495 174.8954 67 R 3.4274 7.7073 117.6600 59.1966 30.0230 178.5359 68 K 3.6895 7.7740 117.3797 59.5055 32.0165 178.9321 69 A 3.9956 8.2568 119.5640 55.4655 18.3714 178.7494 70 A 3.7212 7.8123 120.0601 54.0030 18.3602 179.3087 71 E 3.9005 7.8458 114.7886 59.6464 29.7134 180.0308 72 Q 4.0006 8.3944 118.0094 59.0159 28.8803 178.8744 73 S 3.7137 7.7604 113.8787 61.1558 62.2685 176.1602 74 A 3.9820 7.8418 122.8096 54.8805 18.2807 179.2136 75 A 3.9111 8.7064 119.7115 55.4908 18.3714 179.3782 76 E 3.0990 8.1875 116.8430 58.9894 29.5079 179.0731 77 V 3.6422 7.6136 117.6442 66.5275 31.8002 177.8299 78 A 2.5800 8.4208 119.1377 54.8120 18.4695 179.2098 79 L 3.7779 8.1814 116.5832 57.5835 41.6217 180.2834 80 R 3.8707 7.8740 117.8309 59.2345 30.1693 178.1681 81 E 4.1963 7.9914 116.3294 57.8172 29.5393 178.0844 82 L 4.0435 7.5423 118.6390 57.8170 41.7290 178.4359 83 A 4.0648 7.6034 119.1834 54.3749 18.2811 177.5555 84 K 4.1359 7.4245 120.2404 56.5527 32.3164 176.4346 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 14 H 8.43 4.78 0.00 3.20 3.41 0.00 5.49 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 6.54 4.08 1.64 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 0.34 0.00 0.00 0.74 0.00 0.00 16 F 7.96 4.21 0.00 3.32 3.12 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 K 8.53 3.95 0.00 1.79 1.81 0.00 1.49 0.00 0.00 1.76 0.00 0.00 2.72 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.48 1.25 7.81 18 S 8.00 4.15 0.00 4.26 4.08 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 0.00 0.00 0.00 0.00 19 R 7.57 4.35 0.00 1.89 2.13 0.00 3.17 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 20 L 8.00 3.97 0.00 1.80 1.83 0.65 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 7.92 4.04 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.50 2.65 0.00 22 E 8.90 4.06 0.00 2.27 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 2.35 2.42 0.00 23 Y 8.06 4.07 0.00 3.19 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.34 4.17 1.54 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 0.00 0.00 25 Q 8.02 4.00 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 26 K 8.17 3.86 0.00 1.58 1.66 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.43 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.40 1.09 7.81 27 Y 7.32 4.59 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.84 3.87 0.00 1.89 1.96 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.38 7.81 29 L 7.81 4.24 0.00 1.75 1.70 1.06 1.33 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 30 P 0.00 4.48 0.00 2.19 2.07 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 31 T 8.47 4.02 4.29 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 0.00 0.00 0.00 1.27 0.00 0.00 32 P 0.00 3.85 0.00 2.10 1.73 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 33 V 8.24 4.16 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 1.07 0.00 0.00 0.93 0.00 0.00 34 Y 8.67 4.96 0.00 2.89 2.87 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 35 E 8.73 4.66 0.00 2.07 1.94 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 2.25 2.31 0.00 36 I 8.58 4.84 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.82 1.13 0.00 0.00 37 V 8.93 4.07 2.14 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 0.93 0.00 0.00 1.05 0.00 0.00 38 K 8.36 4.53 0.00 1.87 1.67 0.00 2.03 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.20 0.94 7.81 39 E 8.37 4.52 0.00 2.05 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 2.10 2.17 0.00 40 G 9.15 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.05 2.08 0.00 3.80 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.87 0.00 42 S 8.85 4.16 0.00 3.86 3.98 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 0.00 0.00 0.00 43 H 8.08 4.43 0.00 3.30 3.31 0.00 5.58 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.05 4.24 0.00 1.54 1.69 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.28 7.81 45 S 7.50 4.29 0.00 3.76 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.05 5.17 0.00 1.60 1.53 0.96 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 47 F 9.48 5.46 0.00 3.10 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 48 Q 8.92 5.14 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 49 S 9.71 5.86 0.00 3.95 3.70 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 50 T 8.30 5.98 4.47 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 1.29 0.00 0.00 51 V 8.51 3.65 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 0.59 0.00 0.00 0.81 0.00 0.00 52 I 8.13 5.83 1.84 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 1.09 0.70 0.94 0.00 0.00 53 L 8.16 4.43 0.00 1.70 1.47 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 54 D 9.03 4.34 0.00 2.85 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 55 G 8.08 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.96 4.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.97 0.00 0.00 57 R 8.42 4.96 0.00 1.63 1.79 0.00 3.18 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 58 Y 8.83 4.72 0.00 2.82 2.74 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 59 N 8.88 5.41 0.00 2.61 2.79 0.00 0.00 7.14 7.57 0.00 0.00 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 S 9.63 4.46 0.00 3.84 4.05 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 61 L 8.42 4.10 0.00 1.89 1.66 0.97 0.99 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 62 P 0.00 4.77 0.00 2.15 2.08 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 63 G 8.54 3.64 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 0.00 0.00 0.00 64 F 8.57 4.32 0.00 3.21 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 65 F 8.59 5.22 0.00 3.13 3.12 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 66 N 7.78 4.67 0.00 2.58 2.74 0.00 0.00 5.99 7.66 0.00 0.00 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 R 7.71 3.43 0.00 1.56 1.73 0.00 3.16 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 68 K 7.77 3.69 0.00 1.83 1.71 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.36 7.81 69 A 8.26 4.00 1.14 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 0.00 0.00 70 A 7.81 3.72 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 71 E 7.85 3.90 0.00 1.87 1.47 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 2.08 2.29 0.00 72 Q 8.39 4.00 0.00 1.87 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 73 S 7.76 3.71 0.00 3.28 3.67 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 74 A 7.84 3.98 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.71 3.91 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.19 3.10 0.00 1.16 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 1.98 1.91 0.00 77 V 7.61 3.64 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 1.08 0.00 0.00 0.92 0.00 0.00 78 A 8.42 2.58 0.80 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 0.00 0.00 79 L 8.18 3.78 0.00 1.66 1.73 1.14 0.81 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 80 R 7.87 3.87 0.00 1.87 1.97 0.00 3.28 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 81 E 7.99 4.20 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 82 L 7.54 4.04 0.00 1.47 1.43 -0.31 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.60 4.06 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.42 4.14 0.00 1.95 1.73 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.54 7.81