NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 E 4.1669 8.4293 121.4436 55.3339 31.5371 176.2626 20 I 4.2075 7.5922 109.7088 60.2994 40.0576 173.4445 21 D 4.6627 7.2905 118.5643 52.5360 44.8111 176.1111 22 Y 4.4358 8.0636 120.8851 58.3489 38.2377 176.8178 23 K 4.1220 7.7931 120.4871 58.8172 32.7409 177.9064 24 D 4.7115 7.4634 120.2382 53.2454 39.8514 178.0279 25 I 3.4144 7.8577 114.7048 64.1772 37.2458 176.9120 26 A 4.0681 7.9006 121.3811 54.9390 18.5382 179.3622 27 T 4.1176 8.9893 115.4730 66.9188 68.7269 177.3197 28 L 4.2109 7.9615 120.5733 57.5473 41.5405 179.4986 29 K 4.0669 8.1525 118.7366 59.7460 32.0756 178.1893 30 N 4.7168 7.7629 114.9582 53.9271 38.2178 174.8473 31 Y 4.7825 8.4239 114.1768 57.1929 40.1710 174.5884 32 I 4.9572 7.6435 113.3230 58.9739 40.5889 176.2402 33 T 4.1108 8.3753 118.6670 62.2220 67.4364 172.8230 34 E 4.1103 8.8479 118.9632 59.8673 29.6260 179.3975 35 S 4.2194 7.9310 111.4093 59.4942 63.0575 174.7625 36 G 4.0723 7.7365 107.3580 45.1508 0.0000 174.3832 37 K 4.0165 7.5119 118.9582 57.0946 33.3236 176.2999 38 I 4.2801 8.2685 123.6555 61.2098 37.9585 175.5715 39 V 4.3536 8.0645 126.2829 60.7365 33.1919 173.9813 40 P 4.5915 0.0000 0.0000 62.7973 32.2698 176.8609 41 S 4.5215 8.7218 112.4453 59.6285 63.1562 176.7867 42 R 4.1556 8.0410 115.5101 57.9731 29.3580 176.8422 43 I 4.3321 7.7329 117.9612 63.2789 39.1288 177.0107 44 T 4.0880 8.2171 107.6909 61.9299 68.8126 174.9774 45 G 4.1593 7.3026 110.2089 46.8528 0.0000 173.6894 46 T 4.5380 7.5258 113.2740 59.7446 69.2417 173.6710 47 R 4.1210 8.4639 124.0630 56.5666 30.7753 177.4469 48 A 4.0430 8.3630 118.8311 54.8888 18.9528 179.4795 49 K 3.9425 7.6348 117.3642 59.3238 32.2207 178.5794 50 Y 4.3403 7.5443 116.9760 60.9395 37.9064 177.0966 51 Q 3.9651 7.7156 120.2518 59.6812 28.8729 179.0966 52 R 3.8905 7.5883 118.6634 59.4564 30.1002 178.7017 53 Q 4.0072 7.6969 117.3303 59.9551 28.7604 178.7296 54 L 3.7999 8.3332 119.1941 57.7813 41.5211 178.9906 55 A 4.0357 8.2566 120.4294 56.3717 18.4791 178.6422 56 R 3.9102 8.5032 117.3907 58.7158 29.8442 177.9914 57 A 4.1682 8.7333 120.5950 55.9574 18.7489 179.1948 58 I 3.5926 8.4853 118.1678 64.4983 37.1508 178.2505 59 K 3.5409 8.2099 118.6613 59.9413 31.3461 179.2117 60 R 4.1652 8.4593 118.5865 59.1649 29.7863 177.6858 61 A 4.4547 8.0468 119.7466 53.6740 19.2662 179.4716 62 R 4.3091 7.9646 118.6479 59.0920 29.7266 178.7879 63 Y 4.4012 7.8719 117.2592 60.0149 37.8740 177.2265 64 L 4.5450 7.2498 115.0452 54.5807 42.8467 176.4457 65 S 3.7730 7.4884 110.2655 59.2844 61.6545 173.5272 66 L 4.2303 8.0829 119.1212 56.3364 41.9336 177.5108 67 L 4.7926 7.3402 117.0424 51.9647 44.8988 174.0145 68 P 4.6558 0.0000 0.0000 62.3011 31.2763 175.8665 69 Y 3.9572 8.0221 121.5103 61.1292 38.4185 178.4815 70 T 4.2677 7.7169 115.7374 62.0820 68.6214 173.1988 71 D 4.9044 8.3356 118.8058 53.1749 40.7140 176.8733 72 R 3.8948 7.3716 119.6604 57.5208 30.2629 176.3312 73 H 4.2058 8.6419 122.4135 56.7333 28.6326 175.1087 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 19 E 8.43 4.17 0.00 1.73 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.01 0.00 20 I 7.59 4.21 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.64 0.86 0.00 0.00 21 D 7.29 4.66 0.00 2.48 2.26 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 22 Y 8.06 4.44 0.00 3.12 3.21 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 23 K 7.79 4.12 0.00 1.54 1.78 0.00 1.40 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.25 0.76 7.81 24 D 7.46 4.71 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 25 I 7.86 3.41 1.88 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 1.57 0.61 1.01 0.00 0.00 26 A 7.90 4.07 1.32 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 0.00 0.00 0.00 27 T 8.99 4.12 4.33 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 1.32 0.00 0.00 28 L 7.96 4.21 0.00 1.76 1.76 0.95 0.97 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 29 K 8.15 4.07 0.00 2.02 2.16 0.00 1.31 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.49 7.81 30 N 7.76 4.72 0.00 2.83 2.57 0.00 0.00 6.76 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 31 Y 8.42 4.78 0.00 3.24 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 32 I 7.64 4.96 2.17 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 1.37 0.66 1.01 0.00 0.00 33 T 8.38 4.11 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 34 E 8.85 4.11 0.00 2.07 1.97 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 2.39 2.29 0.00 35 S 7.93 4.22 0.00 4.13 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 36 G 7.74 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 37 K 7.51 4.02 0.00 1.86 1.78 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.47 7.81 38 I 8.27 4.28 1.89 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 1.24 0.47 0.95 0.00 0.00 39 V 8.06 4.35 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 0.78 0.00 0.00 0.96 0.00 0.00 40 P 0.00 4.59 0.00 2.35 2.22 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 41 S 8.72 4.52 0.00 3.93 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 42 R 8.04 4.16 0.00 1.93 2.08 0.00 2.98 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 43 I 7.73 4.33 1.88 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 1.48 1.25 0.91 0.00 0.00 44 T 8.22 4.09 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 1.33 0.00 0.00 45 G 7.30 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 46 T 7.53 4.54 4.54 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 1.38 0.00 0.00 47 R 8.46 4.12 0.00 1.88 1.76 0.00 3.41 0.00 0.00 3.46 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.81 0.00 48 A 8.36 4.04 1.27 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 0.00 0.00 0.00 49 K 7.63 3.94 0.00 1.68 1.46 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.47 7.81 50 Y 7.54 4.34 0.00 3.06 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 7.72 3.97 0.00 2.35 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 52 R 7.59 3.89 0.00 2.01 1.97 0.00 3.21 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 53 Q 7.70 4.01 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 54 L 8.33 3.80 0.00 1.81 1.52 0.15 0.88 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 55 A 8.26 4.04 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 56 R 8.50 3.91 0.00 2.03 2.00 0.00 3.15 0.00 0.00 3.20 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 57 A 8.73 4.17 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 0.00 0.00 0.00 0.00 0.00 58 I 8.49 3.59 2.03 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 1.51 0.66 0.85 0.00 0.00 59 K 8.21 3.54 0.00 2.03 1.91 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.68 7.81 60 R 8.46 4.17 0.00 2.04 1.98 0.00 3.08 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.56 0.00 61 A 8.05 4.45 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 0.00 0.00 0.00 0.00 0.00 62 R 7.96 4.31 0.00 1.12 0.66 0.00 2.53 0.00 0.00 2.61 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.24 0.00 63 Y 7.87 4.40 0.00 2.87 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 64 L 7.25 4.54 0.00 1.64 1.69 0.69 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.49 3.77 0.00 3.97 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 66 L 8.08 4.23 0.00 1.83 1.73 1.12 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.34 4.79 0.00 1.49 1.42 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.66 0.00 2.14 1.99 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 69 Y 8.02 3.96 0.00 2.98 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.72 4.27 4.28 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 1.32 0.00 0.00 71 D 8.34 4.90 0.00 2.78 2.79 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 0.00 0.00 0.00 72 R 7.37 3.89 0.00 1.84 1.84 0.00 3.40 0.00 0.00 3.24 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 73 H 8.64 4.21 0.00 3.11 3.31 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00