NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8448 8.2133 109.7367 46.0667 0.0000 174.4688 4 I 3.3287 8.0520 127.6323 61.5555 36.7332 172.7274 5 R 4.5790 8.9553 120.3990 54.4015 32.2416 175.6981 6 E 4.3948 8.1508 120.4958 55.9962 31.3203 175.5865 7 K 4.6498 8.4477 120.8055 55.5376 33.5156 176.3509 8 I 4.6981 8.6493 125.3382 59.3772 40.7544 175.2274 9 K 5.3642 8.3191 122.6777 53.9092 34.7047 175.6024 10 L 4.8796 8.6286 126.5649 54.3626 42.8491 177.0235 11 V 4.4040 8.5647 124.6269 62.2869 33.0736 175.3101 12 S 2.7900 8.4436 121.1112 57.5005 62.7303 174.3739 13 S 4.0772 7.9665 120.8150 59.3291 63.0638 173.6480 14 A 4.4760 7.1404 124.7653 50.2716 20.5126 177.8904 15 G 3.7528 8.3969 107.5647 47.5631 0.0000 174.4630 16 T 3.9449 7.5163 111.2814 61.5155 69.0816 175.8302 17 G 3.5742 8.7626 114.8721 48.3642 0.0000 173.4935 18 H 4.0452 7.3498 116.7467 56.6005 30.3477 174.2048 19 F 5.1663 6.9294 117.8976 55.8151 40.8858 171.2809 20 Y 4.9213 8.6202 120.6715 57.2645 42.7722 174.6479 21 T 5.0023 7.9891 112.6478 61.8547 70.3731 172.5510 22 T 4.6666 9.0606 123.5832 61.7906 71.3143 171.5235 23 T 4.8451 8.1083 111.4730 59.9399 71.2961 174.1879 24 K 4.2830 7.7154 121.7969 56.3428 36.9727 172.8695 25 N 4.6828 8.2056 126.2442 51.8794 39.7084 174.4631 26 K 3.8295 8.3953 127.3630 59.8930 32.7182 177.6405 27 R 4.0933 8.0171 118.6702 59.5089 30.5067 178.4396 28 T 3.9434 8.7248 107.6904 64.1660 68.7371 174.7935 29 K 4.3721 7.8420 122.8281 54.4520 34.7912 174.1843 30 P 4.4037 0.0000 0.0000 65.0692 31.6877 177.7052 31 E 4.0942 7.9392 114.7477 55.9228 30.0103 176.7089 32 K 4.2200 8.4655 120.5738 56.7798 33.2895 176.2851 33 L 4.6652 8.4391 121.9121 53.4537 43.0273 175.7224 34 E 4.9916 8.3783 123.7103 54.1528 32.0576 176.2338 35 L 4.2091 8.5912 121.0178 55.1203 41.9950 172.9668 36 K 3.8620 8.6478 121.7370 57.3730 29.5793 174.6776 37 K 4.5113 8.3824 122.0709 53.8139 35.0153 176.7628 38 F 4.1052 8.7200 125.8027 58.7645 40.0549 173.4150 39 D 4.6718 6.0500 120.2680 51.5983 41.5131 174.7291 40 P 4.4136 0.0000 0.0000 64.6491 31.6437 177.5439 41 V 3.9859 7.5398 116.1176 63.1370 32.1663 176.1168 42 V 4.0284 7.5363 117.2669 61.8499 32.8138 176.4165 43 R 3.9042 7.5821 115.4854 56.8080 28.3831 175.4638 44 Q 4.5382 7.1271 117.7024 54.0213 31.9820 174.8408 45 H 4.2431 8.6172 120.9681 56.3861 27.6877 175.6181 46 V 4.1095 7.9561 124.6147 60.6560 34.1871 175.5914 47 I 4.5295 8.0081 122.5653 59.9522 36.2806 174.5476 48 Y 4.2033 8.4347 124.6278 57.8825 39.5156 175.1237 49 K 4.8394 8.2720 121.4654 56.1584 37.0856 170.5096 50 E 4.1360 9.8670 127.3034 56.1701 30.7593 175.3292 51 A 4.8625 8.3974 130.0451 50.8492 19.4890 175.9039 52 K 4.1970 8.2398 125.4912 57.1034 31.5603 177.1067 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 8.21 3.84 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 0.00 0.00 0.00 4 I 8.05 3.33 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 1.41 0.57 0.91 0.00 0.00 5 R 8.96 4.58 0.00 1.74 1.84 0.00 3.24 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 6 E 8.15 4.39 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 7 K 8.45 4.65 0.00 1.64 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.46 7.81 8 I 8.65 4.70 2.01 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 1.30 0.99 0.96 0.00 0.00 9 K 8.32 5.36 0.00 1.71 1.86 0.00 0.99 0.00 0.00 2.24 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.26 7.81 10 L 8.63 4.88 0.00 1.80 1.90 1.11 1.27 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 11 V 8.56 4.40 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 0.91 0.00 0.00 1.03 0.00 0.00 12 S 8.44 2.79 0.00 3.69 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.08 0.00 3.92 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 7.14 4.48 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.52 3.94 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 1.24 0.00 0.00 17 G 8.76 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 7.35 4.05 0.00 3.16 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 6.93 5.17 0.00 3.24 3.09 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 20 Y 8.62 4.92 0.00 3.06 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 21 T 7.99 5.00 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 1.10 0.00 0.00 22 T 9.06 4.67 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 1.28 0.00 0.00 23 T 8.11 4.85 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 1.21 0.00 0.00 24 K 7.72 4.28 0.00 1.78 1.68 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.19 1.21 7.81 25 N 8.21 4.68 0.00 2.76 2.66 0.00 0.00 6.82 6.09 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 26 K 8.40 3.83 0.00 1.96 1.77 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.54 7.81 27 R 8.02 4.09 0.00 1.96 2.00 0.00 3.27 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 28 T 8.72 3.94 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 1.26 0.00 0.00 29 K 7.84 4.37 0.00 1.74 1.94 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.56 7.81 30 P 0.00 4.40 0.00 2.04 2.10 0.00 3.69 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 2.03 2.07 0.00 31 E 7.94 4.09 0.00 2.08 1.96 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 2.29 2.29 0.00 32 K 8.47 4.22 0.00 1.68 1.81 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.49 7.81 33 L 8.44 4.67 0.00 1.52 1.64 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.38 4.99 0.00 1.82 1.85 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 2.22 2.35 0.00 35 L 8.59 4.21 0.00 1.66 1.69 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.65 3.86 0.00 1.94 1.95 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.46 7.81 37 K 8.38 4.51 0.00 0.91 0.83 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.17 0.82 7.81 38 F 8.72 4.11 0.00 2.51 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 6.05 4.67 0.00 2.90 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 40 P 0.00 4.41 0.00 2.02 2.17 0.00 3.44 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.07 0.00 41 V 7.54 3.99 2.05 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 0.76 0.00 0.00 0.92 0.00 0.00 42 V 7.54 4.03 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 0.91 0.00 0.00 0.86 0.00 0.00 43 R 7.58 3.90 0.00 1.99 2.08 0.00 3.17 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 44 Q 7.13 4.54 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 7.08 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 45 H 8.62 4.24 0.00 3.22 3.37 0.00 5.89 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 46 V 7.96 4.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.83 0.00 0.00 47 I 8.01 4.53 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.48 0.92 0.00 0.00 48 Y 8.43 4.20 0.00 2.72 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 49 K 8.27 4.84 0.00 1.81 1.89 0.00 1.39 0.00 0.00 1.55 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.36 7.81 50 E 9.87 4.14 0.00 2.18 2.04 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 2.26 2.24 0.00 51 A 8.40 4.86 1.28 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 0.00 0.00 0.00 52 K 8.24 4.20 0.00 1.82 2.18 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.35 7.81