NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1079 8.3101 121.7893 54.6433 34.0585 175.2754 20 A 5.1180 7.4583 130.5907 51.3718 19.9566 173.9381 21 K 4.1389 7.8509 121.4704 57.0948 33.6843 177.1128 22 V 3.9029 7.8054 120.3216 63.4896 31.5165 177.0663 23 K 4.1588 7.4846 120.7141 60.2381 32.4368 178.1433 24 A 4.1570 7.8540 118.5587 53.1517 18.0244 178.0919 25 T 4.3847 7.9143 117.2977 65.4342 69.4767 174.8685 26 L 5.0572 7.6224 119.1144 52.4963 46.3943 178.7115 27 G 4.0105 8.5192 110.0333 45.4357 0.0000 172.4509 28 E 4.1046 8.6175 123.4594 55.3708 30.6587 175.9690 29 F 4.7515 7.4644 118.5667 56.2175 40.7699 173.1689 30 D 4.7599 8.6575 120.9388 52.5295 40.3194 176.4801 31 L 4.3234 8.5227 126.9923 57.3235 40.9500 178.0699 32 R 4.1283 7.8118 119.2226 57.6593 30.3897 175.8792 33 D 4.4386 7.9307 118.1484 54.6746 41.7809 175.7201 34 Y 4.9502 7.6223 124.6510 56.1186 38.4050 176.2786 35 R 4.6528 7.6157 116.7024 57.0369 36.5981 177.2337 36 N 4.6991 8.3974 117.6437 52.3478 32.9131 175.5887 37 V 3.5319 7.6967 119.6040 65.5389 31.9869 177.8196 38 E 3.8756 7.9699 117.1895 59.0979 30.0303 178.4969 39 V 3.5804 7.5535 117.7087 66.0102 31.6734 177.8565 40 L 4.2568 8.1356 118.6801 57.9118 41.4628 179.3047 41 K 3.9044 8.0979 119.5204 59.3072 31.6049 177.5399 42 R 4.1094 7.2784 116.4010 56.5659 29.4991 176.3704 43 F 4.9487 8.3920 111.6431 56.6395 41.3550 174.8455 44 L 5.6007 7.8957 120.7542 54.5909 42.2678 176.7632 45 S 3.4868 7.8562 112.3756 59.7350 63.8404 172.0782 46 E 4.7142 8.5719 118.8929 56.7617 29.8342 177.0114 47 T 4.4116 9.2239 110.1561 62.7674 71.0741 174.5492 48 G 3.7816 7.5491 108.5553 44.9345 0.0000 174.2386 49 K 4.0260 8.2436 121.7857 56.4340 33.1266 176.1263 50 I 4.0413 8.5344 125.5144 61.4897 36.9197 175.7001 51 L 4.1032 9.0541 127.5979 54.4617 41.7579 176.3528 52 P 4.5064 0.0000 0.0000 62.4553 32.4298 177.2696 53 R 4.5963 8.4686 117.2811 59.3635 30.0629 178.6496 54 R 4.1895 8.0147 111.5918 57.5983 29.9665 177.1267 55 R 4.7178 7.7572 114.1952 56.0582 33.4067 175.7994 56 T 4.7207 7.4501 103.5043 59.8576 70.0409 175.2247 57 G 4.0632 9.0307 108.3227 46.4945 0.0000 173.7695 58 L 4.1372 8.0116 119.0146 54.8554 42.3503 177.1931 59 S 4.4139 8.5010 114.0482 58.1907 64.3963 173.7947 60 A 3.9702 8.6304 124.4620 54.4444 17.3665 179.1280 61 K 3.7918 8.0125 115.5281 59.8540 32.4905 178.6933 62 E 3.8676 8.1916 118.0292 59.1878 29.6960 178.6087 63 Q 3.8837 8.3002 119.3643 60.4183 29.0546 178.7537 64 R 4.0324 8.1862 119.0333 57.6926 29.7043 178.2605 65 I 3.6671 7.5277 115.3799 64.9652 37.6552 177.4133 66 L 3.8620 7.9425 121.9038 57.6996 41.8150 178.3899 67 A 3.9594 8.3991 120.3095 55.2180 18.3822 179.3232 68 K 3.8238 8.4072 118.5739 59.9264 32.0665 179.0160 69 T 3.9757 7.6186 109.7483 64.7881 69.0477 176.7761 70 I 3.4688 8.1091 123.3013 63.9647 36.8373 178.5114 71 K 3.9134 8.2879 118.6292 59.5420 32.4005 178.9380 72 R 3.9758 7.5935 117.8968 59.5202 29.9412 178.3122 73 A 4.0261 8.6410 120.8455 55.7988 18.1931 179.8621 74 R 3.9965 7.6023 116.6794 58.7475 29.7229 179.4548 75 I 3.9991 7.4731 118.5186 64.3038 37.1236 178.0625 76 L 4.2488 7.9414 119.4986 56.5545 41.6412 177.6022 77 G 4.0404 7.3522 102.7491 45.4044 0.0000 175.1208 78 L 4.0463 8.0232 119.9030 57.6265 42.0019 177.5614 79 L 4.3851 7.4619 117.9750 52.9146 43.0428 175.3616 80 P 4.8588 0.0000 0.0000 62.0591 33.6097 174.8120 81 F 4.6745 8.5450 113.5788 59.4996 41.4093 175.4255 82 T 4.9553 7.5785 113.1614 62.4879 72.2115 172.8633 83 E 4.9730 9.3086 122.0277 53.8746 32.9968 175.6040 84 K 4.1837 8.5899 119.7545 56.7067 33.5347 176.4047 85 L 4.0515 8.3819 124.6702 55.1041 42.5931 177.5003 86 V 4.0358 8.3440 119.6135 60.4035 33.4253 174.7541 87 R 3.6403 7.8798 118.9999 55.8024 30.7253 176.1879 88 K 4.1782 8.5681 123.1846 57.0881 32.9249 176.3893 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 K 8.31 4.11 0.00 1.71 1.91 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 20 A 7.46 5.12 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.85 4.14 0.00 1.82 1.78 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.39 7.81 22 V 7.81 3.90 2.15 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 0.55 0.00 0.00 0.98 0.00 0.00 23 K 7.48 4.16 0.00 2.25 1.77 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.47 7.81 24 A 7.85 4.16 1.29 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 0.00 0.00 0.00 25 T 7.91 4.38 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 1.14 0.00 0.00 26 L 7.62 5.06 0.00 1.83 1.72 0.73 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.52 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 0.00 0.00 0.00 28 E 8.62 4.10 0.00 1.88 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 29 F 7.46 4.75 0.00 3.11 3.04 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 30 D 8.66 4.76 0.00 2.82 2.67 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 31 L 8.52 4.32 0.00 1.87 2.14 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.81 4.13 0.00 1.84 2.08 0.00 3.28 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 33 D 7.93 4.44 0.00 2.65 2.70 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 34 Y 7.62 4.95 0.00 3.02 2.97 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 0.00 0.00 0.00 35 R 7.62 4.65 0.00 1.58 1.85 0.00 3.09 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.08 0.00 36 N 8.40 4.70 0.00 2.96 2.96 0.00 0.00 6.79 7.08 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 37 V 7.70 3.53 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 0.93 0.00 0.00 0.91 0.00 0.00 38 E 7.97 3.88 0.00 1.91 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 2.26 2.38 0.00 39 V 7.55 3.58 2.33 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 0.57 0.00 0.00 0.84 0.00 0.00 40 L 8.14 4.26 0.00 1.74 1.75 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.10 3.90 0.00 1.84 1.86 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.46 7.81 42 R 7.28 4.11 0.00 1.60 1.12 0.00 3.05 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.33 0.00 43 F 8.39 4.95 0.00 3.22 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 5.60 0.00 1.66 1.59 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.86 3.49 0.00 4.07 3.94 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 46 E 8.57 4.71 0.00 1.96 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 2.21 2.20 0.00 47 T 9.22 4.41 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 1.22 0.00 0.00 48 G 7.55 3.78 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 0.00 0.00 0.00 49 K 8.24 4.03 0.00 1.73 1.78 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.59 7.81 50 I 8.53 4.04 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 1.37 0.74 0.92 0.00 0.00 51 L 9.05 4.10 0.00 1.69 1.69 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.51 0.00 2.20 2.04 0.00 3.62 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 2.13 2.09 0.00 53 R 8.47 4.60 0.00 1.86 1.93 0.00 3.34 0.00 0.00 3.31 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 54 R 8.01 4.19 0.00 1.84 1.97 0.00 3.28 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 55 R 7.76 4.72 0.00 1.81 1.89 0.00 3.24 0.00 0.00 3.40 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 56 T 7.45 4.72 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 57 G 9.03 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.01 4.14 0.00 1.60 1.72 1.07 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.50 4.41 0.00 3.90 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.63 3.97 1.29 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 0.00 0.00 0.00 61 K 8.01 3.79 0.00 1.82 1.86 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.57 7.81 62 E 8.19 3.87 0.00 2.27 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 63 Q 8.30 3.88 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 64 R 8.19 4.03 0.00 2.00 1.80 0.00 3.21 0.00 0.00 3.22 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 65 I 7.53 3.67 1.87 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 1.65 1.20 0.92 0.00 0.00 66 L 7.94 3.86 0.00 1.65 1.73 0.41 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.40 3.96 1.35 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 0.00 0.00 68 K 8.41 3.82 0.00 1.84 2.01 0.00 1.51 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 69 T 7.62 3.98 4.35 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 1.38 0.00 0.00 70 I 8.11 3.47 1.92 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 1.39 1.35 0.89 0.00 0.00 71 K 8.29 3.91 0.00 1.85 1.90 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.58 7.81 72 R 7.59 3.98 0.00 1.84 1.80 0.00 3.23 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.56 0.00 73 A 8.64 4.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.60 4.00 0.00 1.15 0.72 0.00 3.10 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.68 0.00 75 I 7.47 4.00 2.10 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.75 0.93 0.00 0.00 76 L 7.94 4.25 0.00 1.80 1.77 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.35 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 0.00 0.00 0.00 78 L 8.02 4.05 0.00 1.64 1.73 0.97 1.00 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 79 L 7.46 4.39 0.00 1.54 1.43 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.86 0.00 2.14 2.07 0.00 3.33 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 1.93 2.06 0.00 81 F 8.54 4.67 0.00 3.06 3.07 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 82 T 7.58 4.96 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 1.32 0.00 0.00 83 E 9.31 4.97 0.00 1.87 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 2.30 2.23 0.00 84 K 8.59 4.18 0.00 1.79 1.87 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.39 7.81 85 L 8.38 4.05 0.00 1.61 1.62 0.93 0.97 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 86 V 8.34 4.04 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 0.73 0.00 0.00 0.93 0.00 0.00 87 R 7.88 3.64 0.00 1.78 1.82 0.00 3.39 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 88 K 8.57 4.18 0.00 1.90 1.77 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.42 7.81