NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3421 8.2649 123.5812 51.9106 21.1223 177.2305 3 K 4.1972 7.6953 116.8938 55.8171 33.7162 174.3066 4 H 4.1659 8.8577 117.7787 59.3887 29.6298 173.4476 5 P 4.3867 0.0000 0.0000 62.6184 31.3528 175.7446 6 V 4.4382 7.9602 122.1162 60.2762 34.5936 172.2791 7 P 4.3811 0.0000 0.0000 62.3676 31.6816 176.5873 8 K 4.1639 8.6906 124.8678 58.7144 32.5769 177.1389 9 K 4.5193 7.5767 115.8252 53.9522 35.9548 175.1968 10 K 3.8142 8.7710 124.0863 56.6219 31.9681 176.4673 11 T 3.9357 8.4608 117.2118 61.6492 69.1606 174.8168 12 S 4.2662 8.5736 120.4589 58.0937 64.9721 175.3371 13 K 3.8111 8.8015 123.9691 60.3184 32.1681 179.1806 14 A 3.9028 7.8786 121.1060 55.1000 18.2705 179.4287 15 R 3.8643 7.7947 115.7449 59.3328 30.3966 178.4523 16 R 4.0107 8.2600 118.8221 59.6710 29.8122 178.1139 17 D 4.3748 8.0954 118.4037 57.4027 40.5632 178.7752 18 A 3.9851 7.6653 119.9164 55.1419 18.6778 179.1014 19 R 4.0710 7.8215 116.6486 59.5870 29.5494 178.4237 20 R 4.5084 7.6140 115.9612 56.7041 29.9758 179.0098 21 S 4.0305 8.0523 113.9047 62.0193 62.1341 175.1287 22 H 4.5099 7.9596 115.0475 56.9302 28.8519 176.7855 23 H 3.7886 7.7022 118.7825 58.4808 29.9058 175.6044 24 A 4.0372 7.1977 121.5814 52.3266 18.5330 177.4828 25 L 4.4146 8.2253 121.8668 54.4523 42.9852 176.2668 26 T 4.6626 7.9797 108.5516 59.2226 71.3772 172.0188 27 P 4.3267 0.0000 0.0000 61.9204 31.8365 174.3607 28 P 4.4818 0.0000 0.0000 62.9361 32.0499 175.0725 29 I 4.5812 8.0158 119.3060 59.7215 38.8566 175.2389 30 L 5.0867 8.3798 124.8329 53.4922 46.1519 175.9064 31 V 4.6034 9.0049 112.8813 59.0374 36.4473 173.1053 32 P 4.8480 0.0000 0.0000 63.1261 31.6764 175.9694 33 C 4.6841 8.4332 119.4969 56.2984 30.9931 172.2126 34 P 4.5245 0.0000 0.0000 65.9036 32.6288 178.1236 35 E 4.3803 8.1189 118.0777 56.0074 27.8050 179.7092 36 C 4.3605 9.0388 132.9229 59.7616 32.2971 172.5841 37 K 3.9776 8.4376 120.7517 56.9300 32.3020 176.4141 38 A 4.1037 7.2811 120.3453 53.7709 19.7162 176.9794 39 M 4.4419 8.5259 119.6405 54.1003 32.5722 176.0015 40 K 4.5730 8.8847 124.5839 54.4277 34.3266 174.8742 41 P 4.8030 0.0000 0.0000 61.8455 32.0995 174.4439 42 P 4.1118 0.0000 0.0000 64.6984 32.2533 175.6650 43 H 3.9798 8.6798 116.5675 56.3438 25.6053 173.9723 44 T 4.3734 6.9825 112.6749 62.7092 73.2249 175.1784 45 V 3.6254 7.5626 125.7750 64.1364 32.6097 174.5870 46 C 4.8898 7.8938 115.5889 58.2443 32.5716 172.3381 47 P 4.5214 0.0000 0.0000 63.7211 31.5897 175.6433 48 E 3.9647 8.9573 118.3458 57.2108 28.0911 174.2385 49 C 4.7763 7.9781 111.6388 60.1008 36.1172 175.4963 50 G 3.8493 9.2095 106.3996 46.3847 0.0000 169.9801 51 Y 4.7252 7.8301 119.3250 57.7544 41.7347 173.3419 52 Y 4.6567 6.2892 115.9269 56.0760 41.0600 174.7555 53 A 4.1045 8.7924 123.4333 52.9510 18.8152 177.1628 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 A 8.26 4.34 1.30 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 0.00 0.00 0.00 3 K 7.70 4.20 0.00 1.81 1.69 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.51 7.81 4 H 8.86 4.17 0.00 3.12 3.41 0.00 5.90 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.39 0.00 2.18 2.09 0.00 3.74 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 2.00 1.97 0.00 6 V 7.96 4.44 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 0.81 0.00 0.00 0.98 0.00 0.00 7 P 0.00 4.38 0.00 2.08 1.98 0.00 3.73 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 2.03 2.07 0.00 8 K 8.69 4.16 0.00 1.70 1.83 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.52 7.81 9 K 7.58 4.52 0.00 1.72 1.63 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.36 7.81 10 K 8.77 3.81 0.00 1.71 1.77 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.44 7.81 11 T 8.46 3.94 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 12 S 8.57 4.27 0.00 4.07 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 13 K 8.80 3.81 0.00 2.00 2.13 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.52 7.81 14 A 7.88 3.90 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 15 R 7.79 3.86 0.00 1.83 2.12 0.00 3.27 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 16 R 8.26 4.01 0.00 1.90 2.08 0.00 3.15 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 17 D 8.10 4.37 0.00 2.87 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 18 A 7.67 3.99 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 19 R 7.82 4.07 0.00 1.92 2.17 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 20 R 7.61 4.51 0.00 2.02 1.88 0.00 3.15 0.00 0.00 3.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 21 S 8.05 4.03 0.00 4.03 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.96 4.51 0.00 3.29 3.32 0.00 5.87 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 7.70 3.79 0.00 3.17 3.34 0.00 5.77 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 24 A 7.20 4.04 1.20 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 0.00 0.00 25 L 8.23 4.41 0.00 1.66 1.67 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.98 4.66 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 1.22 0.00 0.00 27 P 0.00 4.33 0.00 2.20 2.10 0.00 3.77 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 1.99 1.96 0.00 28 P 0.00 4.48 0.00 2.20 2.11 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 29 I 8.02 4.58 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 1.35 0.92 0.92 0.00 0.00 30 L 8.38 5.09 0.00 1.46 1.50 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.00 4.60 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 0.98 0.00 0.00 32 P 0.00 4.85 0.00 1.95 2.00 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 33 C 8.43 4.68 0.00 3.22 2.98 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 34 P 0.00 4.52 0.00 2.23 2.27 0.00 3.89 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 35 E 8.12 4.38 0.00 2.02 1.30 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 2.67 2.41 0.00 36 C 9.04 4.36 0.00 2.97 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 37 K 8.44 3.98 0.00 1.77 1.81 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.44 7.81 38 A 7.28 4.10 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.53 4.44 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 40 K 8.88 4.57 0.00 1.71 1.70 0.00 1.72 0.00 0.00 1.90 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.40 7.81 41 P 0.00 4.80 0.00 2.06 2.04 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 42 P 0.00 4.11 0.00 2.14 2.09 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 43 H 8.68 3.98 0.00 3.27 3.34 0.00 5.74 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 6.98 4.37 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 1.12 0.00 0.00 45 V 7.56 3.63 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 0.71 0.00 0.00 0.56 0.00 0.00 46 C 7.89 4.89 0.00 2.95 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.52 0.00 2.26 2.16 0.00 3.88 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 48 E 8.96 3.96 0.00 2.10 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 2.19 2.38 0.00 49 C 7.98 4.78 0.00 3.14 2.94 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 50 G 9.21 3.85 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 0.00 0.00 0.00 51 Y 7.83 4.73 0.00 2.73 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 52 Y 6.29 4.66 0.00 2.89 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.79 4.10 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