NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.9792 8.0093 120.7995 62.6832 39.1255 176.4640 4 K 3.4310 8.2096 114.2891 57.1716 32.0626 169.2884 5 V 4.3651 8.9206 124.3295 61.2318 34.8538 174.1461 6 R 4.2368 8.1403 123.9271 54.8126 32.8392 174.5926 7 E 3.7348 8.1085 128.4813 56.5402 27.5463 175.8159 8 N 4.4959 8.3758 128.0043 52.3050 39.1639 174.0053 9 E 3.6253 8.4961 116.8332 55.3615 28.7400 170.7026 10 P 4.5881 0.0000 0.0000 60.0096 33.1221 174.3822 11 F 4.8958 7.0642 120.5964 56.9803 39.2322 172.6985 12 D 5.0604 8.2890 118.7622 53.0974 41.0610 176.4661 13 V 3.9908 7.7959 118.7634 60.7999 32.9960 176.4417 14 A 3.8763 8.9778 128.5479 54.4519 18.6649 178.0209 15 L 3.2967 7.5672 110.0773 57.2419 39.2483 174.9878 16 R 4.7034 7.8795 126.8544 55.1861 30.2344 176.6688 17 R 4.0685 7.7956 119.1573 59.2493 30.6275 179.8284 18 F 4.5320 8.3066 116.5370 60.2064 38.7446 177.6931 19 K 4.0953 7.9115 117.9713 59.5124 31.6929 179.1161 20 R 4.1755 7.4007 113.9008 56.7629 29.7883 177.0066 21 S 4.8185 7.8526 112.4108 58.1613 65.5047 173.0437 22 C 4.8116 7.5903 117.0840 59.6915 34.9819 177.2055 23 E 4.1270 9.6497 131.4217 57.2366 28.4128 179.3856 24 K 3.5494 9.3585 132.8861 57.6810 31.8675 175.2188 25 A 3.7770 8.9099 115.6135 55.4501 18.1733 179.5269 26 G 3.5993 7.2244 97.0707 48.5745 0.0000 174.3872 27 V 3.9462 7.2603 120.5367 62.6654 32.2985 176.7207 28 L 4.3634 7.2037 118.0982 57.7456 42.8168 177.6406 29 A 3.9588 8.7043 120.2477 56.2559 18.2623 178.4655 30 E 3.5949 7.8008 114.6956 60.5603 29.7237 179.3425 31 V 3.1328 8.0703 117.3854 62.1351 32.3313 182.4543 32 R 3.1757 6.6299 119.3633 56.0135 33.1205 176.0978 33 R 4.5241 6.4552 117.6651 55.0245 33.1916 173.3604 34 R 3.5390 8.5315 125.0306 56.1194 30.6908 175.6591 35 E 4.3250 7.9538 119.7979 57.6490 30.1983 174.0759 36 F 4.3981 8.5871 120.9862 54.5802 43.6347 173.6266 37 Y 4.3800 9.7882 127.7779 58.4292 38.9061 169.2401 38 E 5.6468 7.5554 115.4318 55.4186 32.2006 177.0893 39 K 4.1494 7.4252 121.2268 56.9365 32.4056 175.9895 40 P 4.6004 0.0000 0.0000 64.5458 31.7570 178.0746 41 T 3.9522 7.6495 116.4214 66.8260 68.2813 176.6152 42 T 3.9263 7.7536 111.3239 65.3528 69.1116 175.2473 43 E 3.8590 8.0435 121.0322 59.7419 29.0328 178.2234 44 R 4.1519 8.7984 120.0733 58.3280 30.4264 177.9560 45 K 4.0889 7.5248 116.0162 57.4360 32.6260 177.2176 46 R 4.3843 8.2459 117.1579 57.4129 30.6177 177.6371 47 A 3.9939 7.4388 120.4242 53.7120 18.0978 179.4702 48 K 3.8955 7.8683 118.2735 59.5567 32.3270 178.4743 49 A 4.0784 7.3377 118.5524 54.3102 17.9648 179.1107 50 S 4.4101 7.7249 113.4667 60.4590 63.5849 177.5965 51 A 4.9106 7.6264 124.0021 52.4793 17.5496 178.2450 52 V 4.2075 7.6297 118.4121 62.4989 32.6668 175.6841 53 K 4.1069 7.4583 127.0445 56.8844 31.9633 176.1247 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 I 8.01 3.98 1.96 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 1.50 1.55 1.27 0.00 0.00 4 K 8.21 3.43 0.00 2.08 1.87 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.49 7.81 5 V 8.92 4.37 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 0.81 0.00 0.00 0.90 0.00 0.00 6 R 8.14 4.24 0.00 1.81 1.83 0.00 3.41 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 7 E 8.11 3.73 0.00 2.26 2.40 0.00 0.00 0.00 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 2.31 0.00 8 N 8.38 4.50 0.00 2.64 2.61 0.00 0.00 7.28 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.50 3.63 0.00 1.80 1.91 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 2.27 2.32 0.00 10 P 0.00 4.59 0.00 2.09 1.92 0.00 3.86 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 11 F 7.06 4.90 0.00 3.15 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.29 5.06 0.00 2.64 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 13 V 7.80 3.99 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 0.40 0.00 0.00 0.83 0.00 0.00 14 A 8.98 3.88 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 15 L 7.57 3.30 0.00 1.76 1.78 0.80 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.88 4.70 0.00 1.86 1.83 0.00 3.31 0.00 0.00 3.39 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 17 R 7.80 4.07 0.00 1.99 2.06 0.00 3.23 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 18 F 8.31 4.53 0.00 2.96 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 19 K 7.91 4.10 0.00 1.92 1.88 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.65 7.81 20 R 7.40 4.18 0.00 1.83 1.97 0.00 3.28 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.80 0.00 21 S 7.85 4.82 0.00 3.96 3.87 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 22 C 7.59 4.81 0.00 2.88 1.91 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 23 E 9.65 4.13 0.00 2.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 24 K 9.36 3.55 0.00 2.03 1.73 0.00 1.61 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.48 7.81 25 A 8.91 3.78 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 26 G 7.22 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.26 3.95 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 0.79 0.00 0.00 0.90 0.00 0.00 28 L 7.20 4.36 0.00 1.84 1.68 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.70 3.96 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 30 E 7.80 3.59 0.00 1.94 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 2.23 2.28 0.00 31 V 8.07 3.13 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 0.90 0.00 0.00 0.92 0.00 0.00 32 R 6.63 3.18 0.00 2.10 1.79 0.00 3.43 0.00 0.00 3.14 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 33 R 6.46 4.52 0.00 1.80 1.77 0.00 3.50 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 34 R 8.53 3.54 0.00 1.99 1.95 0.00 3.40 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 1.74 1.70 0.00 35 E 7.95 4.32 0.00 2.00 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 0.00 2.44 2.63 0.00 36 F 8.59 4.40 0.00 2.98 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 37 Y 9.79 4.38 0.00 3.22 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 7.56 5.65 0.00 1.91 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 2.13 1.97 0.00 39 K 7.43 4.15 0.00 1.69 1.56 0.00 1.28 0.00 0.00 1.48 0.00 0.00 2.30 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.48 1.10 7.81 40 P 0.00 4.60 0.00 2.49 2.91 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 41 T 7.65 3.95 4.40 0.00 0.00 0.00 0.00 0.00 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 42 T 7.75 3.93 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 1.23 0.00 0.00 43 E 8.04 3.86 0.00 2.32 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 44 R 8.80 4.15 0.00 2.00 2.04 0.00 3.20 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 45 K 7.52 4.09 0.00 2.00 1.83 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.47 7.81 46 R 8.25 4.38 0.00 2.00 1.94 0.00 3.33 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 47 A 7.44 3.99 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 48 K 7.87 3.90 0.00 1.84 2.06 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.51 7.81 49 A 7.34 4.08 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.72 4.41 0.00 3.87 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 51 A 7.63 4.91 1.26 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 0.00 0.00 52 V 7.63 4.21 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 0.80 0.00 0.00 0.93 0.00 0.00 53 K 7.46 4.11 0.00 1.58 1.72 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.42 7.81