NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3543 8.1233 123.5818 51.7416 19.2770 177.4223 5 L 3.8151 8.4766 123.6315 57.9942 41.6479 177.6914 6 L 4.2240 8.7824 119.7755 58.0482 41.9325 179.4848 7 R 3.9246 7.8995 117.0444 59.3374 30.1596 178.7296 8 Q 3.9645 7.8740 117.0791 59.1578 28.7314 179.0663 9 A 3.6979 8.8330 122.5483 55.5384 18.3047 178.5726 10 Y 3.8491 8.2563 118.4445 60.6339 38.6370 178.1473 11 S 4.1673 8.7408 116.6107 61.7087 63.2786 176.7070 12 A 4.0578 8.2437 121.9116 55.4991 18.2877 178.4529 13 L 4.2815 7.5858 115.6571 56.5462 42.5263 178.3295 14 F 4.8117 7.3161 119.9922 60.5069 39.4949 177.2379 15 R 3.4813 7.6306 120.7522 58.9647 30.0811 176.9683 16 R 4.1062 7.7591 124.1654 55.8565 29.4752 176.5918 17 T 3.8667 8.6626 124.3298 66.7950 68.2798 176.3166 18 S 4.1997 8.0293 115.9912 61.6881 63.3271 176.5137 19 T 4.0130 8.2533 113.7189 63.8720 68.5512 176.4657 20 F 4.0348 8.2995 123.2392 61.2692 39.4820 176.7879 21 A 4.1861 8.0885 120.6209 55.0804 18.1760 179.2654 22 L 3.9127 7.9649 118.9464 58.5403 42.0027 179.4978 23 T 3.8004 8.2433 116.0316 66.5735 68.4401 176.6246 24 V 3.4461 7.6119 120.1273 66.5432 31.4213 177.6955 25 V 3.5911 8.0235 117.9613 65.7509 31.3221 177.3985 26 L 4.0448 8.3735 119.9192 58.3045 41.9768 179.7367 27 G 3.5989 8.9465 106.2897 47.6363 0.0000 175.5698 28 A 4.0274 8.4401 123.5950 54.8695 18.2900 179.4263 29 V 3.5376 7.9195 116.8132 66.5510 31.6225 178.1949 30 L 4.0014 8.0002 118.1501 57.7141 41.5367 179.1922 31 F 4.0713 8.4171 120.6232 62.1646 39.3021 175.8428 32 E 3.8853 9.3203 118.4508 58.7292 28.9957 179.1067 33 R 3.7350 8.1253 117.4023 59.2596 30.8759 178.5948 34 A 3.9636 7.8342 120.1694 54.9922 18.7610 179.3126 35 F 3.8057 8.2998 119.4403 61.5136 39.1750 176.8201 36 D 4.1840 8.6022 119.1341 56.9346 40.5817 178.2614 37 Q 4.0214 7.8969 118.5930 59.3263 28.8698 180.1515 38 G 3.5087 8.0977 105.9703 47.7389 0.0000 175.5058 39 A 3.8071 7.4311 122.9813 54.7783 18.2704 179.3745 40 D 4.3062 8.3085 117.5702 57.5318 40.9585 178.7568 41 A 3.9903 8.1552 121.3245 55.3965 18.3294 179.8198 42 I 3.6614 8.0626 118.4679 64.3716 36.9832 178.3351 43 F 4.1703 8.6315 120.4308 61.4031 39.4734 176.5758 44 E 3.9822 9.1140 118.9481 59.8002 29.1319 178.6441 45 H 4.1381 8.0012 116.5605 59.5846 29.9635 176.8583 46 L 4.0960 7.8665 118.5651 56.3440 42.5339 176.8004 47 N 4.9670 8.6080 117.0760 51.7727 39.1520 174.4614 48 E 3.9537 7.9743 117.3847 57.7095 30.4692 178.1450 49 G 3.9945 8.7238 109.7307 46.2384 0.0000 174.0878 50 K 4.2905 7.7329 118.6545 57.2182 33.3530 177.3316 51 L 4.3779 7.3463 118.2265 53.5595 42.7244 177.5692 52 W 4.1470 8.8347 130.2391 60.4729 30.4444 177.9330 53 K 3.8033 8.3037 118.3337 60.8102 31.4523 177.2748 54 H 4.4536 7.8327 115.7807 57.9970 29.0989 177.2224 55 I 3.5384 7.4990 115.1944 62.8957 37.5028 177.7209 56 K 2.4982 7.3956 122.9799 59.7169 31.3146 177.6510 57 H 4.0874 7.8522 114.3908 58.8313 27.8441 177.2552 58 K 3.4957 7.4403 119.6971 58.3556 31.7570 176.9994 59 Y 4.6487 7.4756 113.2157 57.1255 39.8832 175.8804 60 E 4.1567 7.6150 120.7880 55.5591 27.9133 175.9137 61 A 3.9126 8.6756 124.0615 51.8558 16.9680 178.4196 62 S 4.8085 7.1419 110.5434 56.7177 63.4798 173.7323 63 E 4.5946 8.1138 116.2290 56.5556 32.4753 174.8406 64 E 4.1037 9.0380 124.5948 56.8161 30.6262 173.9133 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 4 A 8.12 4.35 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 5 L 8.48 3.82 0.00 1.79 1.72 0.93 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.78 4.22 0.00 1.70 1.78 0.96 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 7 R 7.90 3.92 0.00 1.85 1.98 0.00 3.12 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 8 Q 7.87 3.96 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 9 A 8.83 3.70 0.98 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 0.00 0.00 0.00 0.00 0.00 10 Y 8.26 3.85 0.00 3.21 3.11 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 0.00 0.00 0.00 0.00 11 S 8.74 4.17 0.00 4.05 3.97 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 12 A 8.24 4.06 1.22 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 0.00 0.00 0.00 13 L 7.59 4.28 0.00 1.10 1.59 0.66 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.32 4.81 0.00 2.87 3.13 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 0.00 15 R 7.63 3.48 0.00 1.39 1.78 0.00 3.50 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.43 0.00 16 R 7.76 4.11 0.00 1.88 1.84 0.00 3.27 0.00 0.00 3.33 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 17 T 8.66 3.87 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 1.14 0.00 0.00 18 S 8.03 4.20 0.00 4.07 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 0.00 19 T 8.25 4.01 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 1.22 0.00 0.00 20 F 8.30 4.03 0.00 3.17 3.24 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 21 A 8.09 4.19 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 3.91 0.00 1.98 1.74 0.94 0.90 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 23 T 8.24 3.80 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 1.19 0.00 0.00 24 V 7.61 3.45 2.22 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 0.97 0.00 0.00 0.80 0.00 0.00 25 V 8.02 3.59 2.23 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 0.95 0.00 0.00 1.01 0.00 0.00 26 L 8.37 4.04 0.00 1.82 1.67 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.95 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 28 A 8.44 4.03 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 29 V 7.92 3.54 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 1.05 0.00 0.00 1.00 0.00 0.00 30 L 8.00 4.00 0.00 1.81 1.74 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.42 4.07 0.00 3.23 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.32 3.89 0.00 2.23 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 2.52 2.42 0.00 33 R 8.13 3.74 0.00 1.88 2.06 0.00 3.14 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 1.62 1.70 0.00 34 A 7.83 3.96 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 35 F 8.30 3.81 0.00 1.90 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 36 D 8.60 4.18 0.00 2.67 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 37 Q 7.90 4.02 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 38 G 8.10 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.43 3.81 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.31 4.31 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.16 3.99 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 0.00 0.00 0.00 0.00 0.00 42 I 8.06 3.66 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.92 0.94 0.00 0.00 43 F 8.63 4.17 0.00 2.98 3.28 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 44 E 9.11 3.98 0.00 2.04 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 0.00 2.46 2.59 0.00 45 H 8.00 4.14 0.00 3.18 3.55 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.87 4.10 0.00 1.78 1.61 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.61 4.97 0.00 2.32 2.53 0.00 0.00 6.84 7.54 0.00 0.00 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 E 7.97 3.95 0.00 1.87 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 2.40 2.15 0.00 49 G 8.72 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.73 4.29 0.00 1.79 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.50 7.81 51 L 7.35 4.38 0.00 1.34 1.54 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.83 4.15 0.00 3.43 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 53 K 8.30 3.80 0.00 1.85 1.85 0.00 1.88 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.62 7.81 54 H 7.83 4.45 0.00 3.27 3.17 0.00 5.74 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.50 3.54 1.88 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.18 0.96 0.00 0.00 56 K 7.40 2.50 0.00 0.96 1.56 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.42 7.81 57 H 7.85 4.09 0.00 3.34 3.50 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.44 3.50 0.00 0.79 0.99 0.00 1.50 0.00 0.00 1.49 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.33 7.81 59 Y 7.48 4.65 0.00 3.04 3.05 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 0.00 0.00 0.00 0.00 60 E 7.61 4.16 0.00 2.02 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 2.37 2.36 0.00 61 A 8.68 3.91 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 62 S 7.14 4.81 0.00 3.77 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 63 E 8.11 4.59 0.00 1.89 1.83 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 2.14 2.21 0.00 64 E 9.04 4.10 0.00 2.17 1.92 0.00 0.00 0.00 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 2.26 0.00