NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5794 8.1476 118.3261 55.2874 33.4526 173.2480 2 Q 4.8833 8.2146 115.6790 54.2104 31.4940 173.1286 3 Y 4.9411 8.9159 119.1517 56.1254 42.1413 175.5856 4 K 4.9951 8.6707 123.3522 54.5617 35.3341 174.2617 5 L 5.0057 9.4445 130.3146 53.3757 44.4591 174.7651 6 I 4.6787 8.5392 127.2595 59.9050 39.6698 174.7940 7 L 4.4329 8.5813 127.6444 53.7931 42.9053 175.4288 8 N 4.7086 8.6110 122.3148 50.3166 37.9332 173.9381 9 G 4.2351 8.3593 120.2634 46.0389 0.0000 171.8680 10 K 4.1922 9.1073 120.5770 58.8271 32.4994 178.4135 11 T 4.6189 7.6971 104.7805 60.6800 69.6256 172.9519 12 L 4.6478 7.7978 123.3737 53.9128 44.4344 175.1665 13 K 5.2888 8.0068 123.9934 53.3199 36.6405 177.0036 14 G 4.0991 7.5926 108.2318 46.2106 0.0000 171.1698 15 E 5.2349 8.6910 119.1324 55.2124 33.6734 175.7035 16 T 4.7965 8.8536 118.0761 62.7834 73.1574 173.1939 17 T 5.2380 8.6585 121.6133 62.4440 72.8682 172.9346 18 T 4.5930 8.8947 116.5338 60.8584 71.5844 172.3560 19 E 4.6468 8.7820 127.4996 54.7835 30.2529 174.4797 20 A 4.8818 8.7011 128.1083 50.3153 22.3550 176.0697 21 V 3.8523 8.6000 118.2016 63.4138 32.6893 176.2401 22 D 4.9874 7.7684 118.5201 52.1400 43.3629 176.6839 23 A 3.2747 8.6352 125.4166 54.9375 18.3143 180.0762 24 A 3.8704 7.9906 117.7515 55.5234 18.6131 179.2881 25 T 3.8217 7.8355 110.9175 65.1335 67.3724 176.1201 26 A 3.8456 7.5198 121.8123 54.7902 18.2223 179.3702 27 E 3.7500 7.6063 115.8398 59.1894 29.4435 179.5048 28 K 3.7972 7.3946 119.5875 59.3145 32.0064 179.3608 29 V 3.4087 7.3003 117.6669 65.9931 31.5966 177.9147 30 F 4.4782 7.2587 117.1277 60.6933 38.5404 177.9437 31 K 3.6957 8.7709 119.2968 59.3436 31.6779 179.3207 32 Q 3.8807 8.1791 119.9034 59.1113 28.8624 177.4582 33 Y 4.5651 9.2613 123.0422 59.9928 38.7329 177.6316 34 A 3.9197 8.3248 121.9080 55.2323 18.3095 179.1610 35 N 4.2662 7.5926 114.1030 56.9199 39.1973 176.6269 36 D 4.4707 7.9061 120.4768 56.8016 40.6599 177.9406 37 N 4.4029 7.7274 116.7171 53.4527 37.8306 175.2416 38 G 3.9615 7.9149 112.1490 45.9521 0.0000 174.4584 39 V 4.0058 8.1311 121.1186 60.7547 31.0048 175.2598 40 D 4.8726 8.7592 124.7345 52.3028 43.3199 174.2192 41 G 3.8977 8.0092 118.4344 44.6150 0.0000 170.4229 42 E 4.3010 8.9910 120.4982 56.2745 30.5854 176.7951 43 W 5.0963 8.7267 122.9832 55.2519 31.7220 174.6224 44 T 4.6397 7.9633 114.5325 61.7761 71.0467 171.2529 45 Y 4.5265 7.5977 120.4278 56.7212 42.1999 171.6688 46 D 4.4730 7.7784 125.0460 52.1524 43.2657 175.9819 47 D 4.9540 8.3258 125.1684 55.9361 41.5079 176.7336 48 A 4.2549 8.8257 121.4401 54.1246 18.6305 177.8274 49 T 4.4952 7.7167 103.2031 60.1122 70.3772 174.0712 50 K 4.4452 8.3727 121.2158 57.6938 29.9757 174.4431 51 T 5.1621 7.7165 114.1387 62.4451 73.4399 174.9738 52 F 5.3267 9.9099 125.6580 56.2668 42.1590 174.9308 53 T 5.0101 8.3490 110.5231 60.4351 72.2049 172.7125 54 V 3.9425 7.8234 124.1102 59.6653 33.8284 174.3514 55 T 5.2658 8.8321 120.2626 58.8934 70.1035 173.6344 56 E 4.2172 8.6886 125.7573 56.3764 29.8950 175.6436 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 1 M 8.15 4.58 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.08 0.00 2 Q 8.21 4.88 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.73 0.00 0.00 0.00 0.00 0.00 2.12 2.41 0.00 3 Y 8.92 4.94 0.00 3.03 2.76 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 4 K 8.67 5.00 0.00 1.83 1.69 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.39 7.81 5 L 9.44 5.01 0.00 0.27 1.07 1.09 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.54 4.68 1.85 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 1.39 1.33 0.99 0.00 0.00 7 L 8.58 4.43 0.00 1.96 1.79 1.12 0.56 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 8 N 8.61 4.71 0.00 2.70 2.86 0.00 0.00 6.16 6.74 0.00 0.00 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 G 8.36 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 0.00 0.00 0.00 0.00 10 K 9.11 4.19 0.00 1.75 1.85 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.42 1.56 7.81 11 T 7.70 4.62 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 1.20 0.00 0.00 12 L 7.80 4.65 0.00 1.61 1.48 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.01 5.29 0.00 1.70 1.63 0.00 1.83 0.00 0.00 2.36 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.52 7.81 14 G 7.59 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.69 5.23 0.00 1.84 1.84 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 2.23 2.28 0.00 16 T 8.85 4.80 4.57 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 1.11 0.00 0.00 17 T 8.66 5.24 4.31 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 1.31 0.00 0.00 18 T 8.89 4.59 3.89 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 0.00 0.00 1.20 0.00 0.00 19 E 8.78 4.65 0.00 1.99 1.84 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 2.19 2.22 0.00 20 A 8.70 4.88 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 21 V 8.60 3.85 2.11 0.00 0.00 0.00 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 0.97 0.00 0.00 22 D 7.77 4.99 0.00 2.80 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.64 3.27 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 24 A 7.99 3.87 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 7.84 3.82 4.21 0.00 0.00 0.00 0.00 0.00 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 26 A 7.52 3.85 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 27 E 7.61 3.75 0.00 1.92 2.12 0.00 0.00 0.00 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 2.10 0.00 28 K 7.39 3.80 0.00 1.83 1.81 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.61 7.81 29 V 7.30 3.41 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.68 0.00 0.00 30 F 7.26 4.48 0.00 2.94 3.26 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 31 K 8.77 3.70 0.00 1.48 1.52 0.00 1.29 0.00 0.00 0.99 0.00 0.00 2.13 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.85 7.81 32 Q 8.18 3.88 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 33 Y 9.26 4.57 0.00 3.04 3.30 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 34 A 8.32 3.92 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.59 4.27 0.00 2.83 2.97 0.00 0.00 7.30 8.36 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 36 D 7.91 4.47 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.73 4.40 0.00 2.62 2.10 0.00 0.00 6.92 7.43 0.00 0.00 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 G 7.91 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.13 4.01 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 0.73 0.00 0.00 0.91 0.00 0.00 40 D 8.76 4.87 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.01 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 0.00 0.00 0.00 42 E 8.99 4.30 0.00 1.86 1.90 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 2.34 2.44 0.00 43 W 8.73 5.10 0.00 3.23 3.31 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 44 T 7.96 4.64 4.26 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 1.29 0.00 0.00 45 Y 7.60 4.53 0.00 1.43 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 0.00 0.00 0.00 0.00 46 D 7.78 4.47 0.00 2.75 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.33 4.95 0.00 2.52 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.83 4.25 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.72 4.50 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 1.22 0.00 0.00 50 K 8.37 4.45 0.00 1.96 1.96 0.00 1.61 0.00 0.00 2.27 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.37 7.81 51 T 7.72 5.16 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 1.34 0.00 0.00 52 F 9.91 5.33 0.00 2.70 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.35 5.01 4.17 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 1.21 0.00 0.00 54 V 7.82 3.94 0.67 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 0.36 0.00 0.00 0.08 0.00 0.00 55 T 8.83 5.27 4.13 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 0.00 0.00 0.00 1.18 0.00 0.00 56 E 8.69 4.22 0.00 2.06 1.94 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 2.10 2.22 0.00