NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8275 8.1976 109.7371 41.7050 0.0000 174.3655 4 I 2.9642 8.3282 114.2522 60.5440 37.9360 172.6937 5 R 4.6631 8.6541 122.6709 54.6582 31.9717 177.0654 6 E 4.2206 8.7611 124.4166 56.0013 31.2255 177.0796 7 K 4.6976 8.5112 122.3603 55.5569 32.1995 176.5921 8 I 4.2837 8.4850 126.9442 60.5629 38.8654 175.2610 9 K 4.9712 8.5459 123.9236 55.1975 34.7400 175.2584 10 L 5.4397 8.5057 124.9561 53.2533 42.9939 176.2823 11 V 4.7843 8.5420 123.9669 61.4987 34.1399 174.3532 12 S 3.8348 8.2331 121.1117 57.3139 62.4248 174.5150 13 S 4.2973 8.3757 121.8397 60.1566 63.1227 174.5664 14 A 4.2198 7.9568 124.7483 51.6012 18.8809 178.0560 15 G 3.9052 8.4529 106.1435 46.4231 0.0000 173.7048 16 T 4.4367 7.4895 115.3903 60.4765 68.6500 174.9469 17 G 4.0912 8.4592 114.2808 46.3104 0.0000 173.3254 18 H 4.7895 8.0504 119.9827 55.9017 31.2213 173.8691 19 F 5.0660 7.3763 115.3249 57.1792 39.7118 172.3605 20 Y 4.5027 8.7042 118.1242 57.2328 41.1195 174.3277 21 T 4.7395 8.0214 112.1337 62.4946 70.5059 173.8702 22 T 4.4400 8.2270 120.2990 62.3164 72.5729 171.0610 23 T 5.3158 8.4747 109.7595 60.5268 72.6391 172.7645 24 K 4.4011 8.9672 120.9024 55.2559 36.1055 174.5356 25 N 5.1091 8.4253 126.1327 51.4111 36.4523 175.0153 26 K 3.7229 8.2791 123.8899 59.2322 32.7942 178.3223 27 R 3.9188 7.6861 116.6634 58.4261 29.9514 177.1593 28 T 4.6503 8.6177 104.7188 60.9409 71.3801 173.9706 29 K 4.9284 7.3712 120.1341 53.8748 32.2735 175.4844 30 P 4.3187 0.0000 0.0000 63.2714 31.5361 176.3203 31 E 4.5147 8.0784 118.7161 53.9920 30.7151 175.2717 32 K 4.3951 8.5959 123.5359 55.9587 32.4210 176.6799 33 L 4.4392 8.5824 127.8193 55.1664 42.9464 175.5879 34 E 5.6093 8.6517 120.7174 55.8461 32.3340 175.0286 35 L 4.2765 8.9063 117.6870 55.4243 43.6611 170.8472 36 K 4.7637 8.5616 127.1080 55.9739 32.3847 174.7498 37 K 4.6181 8.5227 120.7428 55.4998 36.9026 174.0266 38 F 4.9226 8.7344 122.8746 57.7879 40.6678 175.2875 39 D 4.2457 7.5898 124.7643 50.6352 41.5941 174.2684 40 P 3.7798 0.0000 0.0000 65.4316 31.7526 178.2779 41 V 3.6293 7.6768 116.0824 65.9917 31.3346 176.9863 42 V 3.8083 7.9913 116.0544 62.6309 31.8812 175.4377 43 R 4.1189 7.6395 117.4643 57.2472 27.7781 176.1275 44 Q 4.9366 7.3828 112.1340 55.1167 33.6492 174.7467 45 H 4.9481 9.3315 121.3938 56.4920 29.6264 175.0257 46 V 4.5322 9.0354 121.7174 60.7451 35.5151 173.1990 47 I 4.5117 8.2753 120.4960 61.1521 38.2418 174.7030 48 Y 5.5114 8.7555 123.5171 55.6515 40.6709 174.4094 49 K 5.3247 8.3816 127.2175 55.9495 36.1509 171.3823 50 E 3.5072 9.1285 126.2451 57.0796 29.0334 175.6475 51 A 4.3644 8.5119 128.3655 55.1339 20.4691 176.1381 52 K 4.4168 8.0936 125.5796 57.0877 32.2222 175.3655 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 3 G 8.20 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.33 2.96 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 1.42 0.65 0.91 0.00 0.00 5 R 8.65 4.66 0.00 1.69 1.92 0.00 3.33 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 1.70 1.72 0.00 6 E 8.76 4.22 0.00 2.01 1.87 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 2.33 2.34 0.00 7 K 8.51 4.70 0.00 1.66 1.82 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.48 7.81 8 I 8.48 4.28 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.02 0.99 0.00 0.00 9 K 8.55 4.97 0.00 1.85 1.95 0.00 1.65 0.00 0.00 1.92 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.38 7.81 10 L 8.51 5.44 0.00 1.88 1.92 1.03 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.54 4.78 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 0.95 0.00 0.00 0.95 0.00 0.00 12 S 8.23 3.83 0.00 3.71 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 13 S 8.38 4.30 0.00 3.86 3.95 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 0.00 0.00 0.00 14 A 7.96 4.22 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 15 G 8.45 3.91 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 0.00 0.00 0.00 16 T 7.49 4.44 4.22 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 1.24 0.00 0.00 17 G 8.46 4.09 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 0.00 18 H 8.05 4.79 0.00 3.24 3.40 0.00 5.63 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.38 5.07 0.00 3.36 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 20 Y 8.70 4.50 0.00 2.67 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 21 T 8.02 4.74 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 1.18 0.00 0.00 22 T 8.23 4.44 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 1.23 0.00 0.00 23 T 8.47 5.32 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 1.25 0.00 0.00 24 K 8.97 4.40 0.00 1.81 1.64 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.23 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.38 7.81 25 N 8.43 5.11 0.00 2.81 2.70 0.00 0.00 6.67 6.75 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 26 K 8.28 3.72 0.00 1.87 1.97 0.00 1.67 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.57 7.81 27 R 7.69 3.92 0.00 2.03 1.98 0.00 3.16 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 28 T 8.62 4.65 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 1.27 0.00 0.00 29 K 7.37 4.93 0.00 1.81 1.74 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.48 7.81 30 P 0.00 4.32 0.00 2.04 2.09 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.22 0.00 31 E 8.08 4.51 0.00 2.12 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 0.00 2.21 2.40 0.00 32 K 8.60 4.40 0.00 1.68 1.84 0.00 1.81 0.00 0.00 0.61 0.00 0.00 2.91 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.53 1.30 7.81 33 L 8.58 4.44 0.00 1.65 1.58 0.93 0.94 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 34 E 8.65 5.61 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 35 L 8.91 4.28 0.00 1.72 1.75 0.86 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.56 4.76 0.00 2.00 1.99 0.00 1.83 0.00 0.00 2.41 0.00 0.00 2.83 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.47 7.81 37 K 8.52 4.62 0.00 1.01 1.09 0.00 1.03 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.20 7.81 38 F 8.73 4.92 0.00 2.66 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 39 D 7.59 4.25 0.00 2.69 2.30 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 40 P 0.00 3.78 0.00 1.94 2.12 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 41 V 7.68 3.63 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 0.73 0.00 0.00 0.93 0.00 0.00 42 V 7.99 3.81 2.02 0.00 0.00 0.00 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 0.96 0.00 0.00 43 R 7.64 4.12 0.00 2.04 2.14 0.00 3.60 0.00 0.00 3.33 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.78 0.00 44 Q 7.38 4.94 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.09 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 45 H 9.33 4.95 0.00 3.11 3.39 0.00 5.87 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 9.04 4.53 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 0.64 0.00 0.00 0.89 0.00 0.00 47 I 8.28 4.51 1.85 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 1.36 0.81 0.94 0.00 0.00 48 Y 8.76 5.51 0.00 2.91 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 49 K 8.38 5.32 0.00 1.87 1.68 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.48 7.81 50 E 9.13 3.51 0.00 2.14 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 2.21 2.52 0.00 51 A 8.51 4.36 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 52 K 8.09 4.42 0.00 1.85 1.96 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.44 7.81