#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wim s SER 2 N 0.00 4.89 -0.24 1.61 0.01 -1.26 -5.12 113.70 113.59 1wim s SER 2 Ca 0.00 -0.23 -0.26 0.00 1.31 0.00 0.00 55.95 56.77 1wim s SER 2 Cb 0.00 -1.12 0.12 0.00 0.21 0.00 0.00 66.02 65.23 1wim s SER 2 CO 0.00 0.17 1.00 -0.44 0.41 0.00 0.00 173.24 174.38 1wim s SER 3 N -2.31 -0.45 0.00 2.44 0.01 -1.26 -5.09 113.70 107.05 1wim s SER 3 Ca 0.25 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.27 1wim s SER 3 Cb -0.11 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.86 1wim s SER 3 CO 0.17 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.22 1wim n GLY 4 N 1.81 -1.19 3.11 3.44 0.00 -1.26 -5.18 105.19 105.92 1wim n GLY 4 Ca -0.12 0.32 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 1wim n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wim s SER 5 N 0.00 0.86 -0.21 1.61 0.01 -1.26 -4.09 113.70 110.61 1wim s SER 5 Ca 0.00 -0.83 0.09 0.00 1.31 0.00 0.00 55.95 56.52 1wim s SER 5 Cb 0.00 0.10 -0.19 0.00 0.21 0.00 0.00 66.02 66.14 1wim s SER 5 CO 0.00 -0.40 -0.08 -1.20 0.41 0.00 0.00 173.24 171.97 1wim n SER 6 N 0.57 1.36 -1.75 2.44 7.64 -0.18 -4.80 113.62 118.91 1wim n SER 6 Ca -0.17 -0.07 -0.01 0.00 1.01 0.00 0.00 58.87 59.64 1wim n SER 6 Cb 0.59 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 1wim n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wim n GLY 7 N 2.13 -1.72 3.46 0.23 0.00 -1.25 -4.99 105.19 103.05 1wim n GLY 7 Ca -0.37 0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 1wim n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wim n LYS 9 N -0.91 0.67 0.00 0.00 5.02 -1.26 -3.03 118.16 118.64 1wim n LYS 9 Ca 0.10 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1wim n LYS 9 Cb 0.50 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1wim n LYS 9 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1wim n LEU 10 N -2.80 0.20 0.01 -0.35 4.77 -1.26 -4.54 117.00 113.02 1wim n LEU 10 Ca -0.25 0.55 -0.02 0.00 -0.03 0.00 0.00 56.01 56.26 1wim n LEU 10 Cb 1.07 -0.46 -0.10 0.00 -2.33 0.00 0.00 43.42 41.59 1wim n LEU 10 CO 0.44 -0.46 -0.45 0.00 -1.33 0.00 0.00 177.39 175.58 1wim n LEU 12 N -2.85 -4.07 -0.00 0.00 4.32 -1.17 -4.89 117.00 108.34 1wim n LEU 12 Ca -0.13 -0.77 0.14 0.00 -0.02 0.00 0.00 56.01 55.23 1wim n LEU 12 Cb 0.88 -2.90 0.62 0.00 -1.62 0.00 0.00 43.42 40.40 1wim n LEU 12 CO 0.43 0.32 0.93 0.61 -1.22 0.00 0.00 177.39 178.46 1wim n GLY 13 N -1.38 -1.42 2.61 -0.72 0.00 -1.26 -4.75 105.19 98.27 1wim n GLY 13 Ca -0.20 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 1wim n GLY 13 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wim n GLU 14 N -1.44 -3.33 -3.31 1.61 2.13 -1.26 -4.97 120.64 110.06 1wim n GLU 14 Ca 0.08 0.56 -0.30 0.00 0.66 0.00 0.00 57.16 58.16 1wim n GLU 14 Cb 0.32 -4.57 -0.04 0.00 0.27 0.00 0.00 31.44 27.42 1wim n GLU 14 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1wim s TYR 15 N -3.24 3.45 0.40 4.31 2.02 -1.26 -4.78 117.35 118.25 1wim s TYR 15 Ca 0.10 0.79 -0.25 0.00 -0.37 0.00 0.00 57.07 57.34 1wim s TYR 15 Cb -0.01 -2.21 -0.08 0.00 -0.40 0.00 0.00 41.96 39.25 1wim s TYR 15 CO 0.48 0.18 1.19 -1.25 -1.57 0.00 0.00 175.55 174.57 1wim s PRO 16 N -3.29 4.05 0.42 -1.71 0.04 -1.26 -1.01 135.00 132.25 1wim s PRO 16 Ca 0.46 1.89 0.29 0.00 0.04 0.00 0.00 61.00 63.68 1wim s PRO 16 Cb -0.11 -2.70 1.44 0.00 0.04 0.00 0.00 34.50 33.17 1wim s PRO 16 CO 0.26 -0.34 1.59 -0.39 0.04 0.00 0.00 177.00 178.17 1wim h VAL 17 N 2.36 0.04 -0.82 -0.36 -1.51 -1.87 0.71 116.25 114.80 1wim h VAL 17 Ca -0.49 -0.01 0.18 0.00 -1.23 0.00 0.00 66.70 65.15 1wim h VAL 17 Cb 1.24 0.01 -0.11 0.00 -2.13 0.00 0.00 31.29 30.29 1wim h VAL 17 CO 0.63 0.01 0.33 -0.33 -1.23 0.00 0.00 177.57 176.98 1wim h GLU 18 N 0.04 0.41 -1.72 5.19 3.07 -1.92 -0.48 114.58 119.17 1wim h GLU 18 Ca 0.86 -0.02 -0.74 0.00 -0.50 0.00 0.00 59.36 58.95 1wim h GLU 18 Cb 2.61 -0.09 -0.28 0.00 -0.84 0.00 0.00 28.75 30.15 1wim h GLU 18 CO -0.53 0.27 0.99 1.04 -1.40 0.00 0.00 179.01 179.39 1wim n GLN 19 N -5.03 2.74 -3.90 2.33 6.02 0.25 -4.94 117.38 114.85 1wim n GLN 19 Ca 0.18 -3.47 -0.09 0.00 -0.01 0.00 0.00 57.00 53.61 1wim n GLN 19 Cb 0.52 -2.28 -0.07 0.00 1.02 0.00 0.00 30.24 29.43 1wim n GLN 19 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1wim s MET 20 N -4.00 0.97 -0.06 -1.09 -1.94 -0.19 -3.86 119.30 109.13 1wim s MET 20 Ca 0.56 -1.05 0.02 0.00 -1.71 0.00 0.00 55.69 53.50 1wim s MET 20 Cb 0.46 0.36 0.02 0.00 2.01 0.00 0.00 34.83 37.67 1wim s MET 20 CO -0.30 -0.33 -0.08 0.99 -0.01 0.00 0.00 175.02 175.28 1wim s THR 21 N -3.91 0.84 -0.23 2.05 2.01 -0.43 -4.87 115.64 111.10 1wim s THR 21 Ca 0.10 -0.30 -0.10 0.00 0.31 0.00 0.00 61.69 61.70 1wim s THR 21 Cb 0.04 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 71.69 1wim s THR 21 CO -0.06 0.29 0.15 -0.89 -0.69 0.00 0.00 174.62 173.42 1wim s THR 22 N 0.81 5.33 -0.02 -0.82 2.01 -1.26 -1.46 115.64 120.22 1wim s THR 22 Ca -0.12 0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.74 1wim s THR 22 Cb -0.15 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 1wim s THR 22 CO 0.02 0.36 1.05 -0.63 -0.69 0.00 0.00 174.62 174.73 1wim s ILE 23 N 0.95 4.63 -0.73 1.82 1.01 -0.40 -4.92 121.20 123.57 1wim s ILE 23 Ca 0.07 1.89 0.03 0.00 0.00 0.00 0.00 60.65 62.65 1wim s ILE 23 Cb -0.13 -4.21 0.19 0.00 0.01 0.00 0.00 42.46 38.31 1wim s ILE 23 CO 0.03 0.09 0.85 0.00 0.00 0.00 0.00 174.94 175.92 1wim n ALA 24 N 4.36 2.88 -0.03 9.38 0.00 -1.26 -1.72 120.51 134.13 1wim n ALA 24 Ca 0.08 -0.48 -0.05 0.00 0.00 0.00 0.00 53.44 52.98 1wim n ALA 24 Cb 0.49 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.88 1wim n ALA 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wim n GLN 25 N 0.14 0.13 -1.35 0.00 1.13 -1.26 -4.82 117.38 111.34 1wim n GLN 25 Ca 0.08 0.05 0.02 0.00 -1.94 0.00 0.00 57.00 55.20 1wim n GLN 25 Cb 0.52 -0.87 0.09 0.00 0.11 0.00 0.00 30.24 30.08 1wim n GLN 25 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wim n GLN 27 N -0.26 -0.83 -3.76 0.00 1.13 -0.70 -4.85 117.38 108.11 1wim n GLN 27 Ca 0.13 0.09 -0.36 0.00 -1.94 0.00 0.00 57.00 54.92 1wim n GLN 27 Cb 0.94 -3.22 -0.11 0.00 0.11 0.00 0.00 30.24 27.96 1wim n GLN 27 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wim s ILE 29 N 1.34 5.04 -0.17 0.00 1.10 -1.26 -1.27 121.20 125.99 1wim s ILE 29 Ca 0.06 0.55 -0.17 0.00 -0.51 0.00 0.00 60.65 60.58 1wim s ILE 29 Cb -0.15 -3.67 0.05 0.00 0.15 0.00 0.00 42.46 38.84 1wim s ILE 29 CO 0.05 0.30 0.47 -0.36 -2.11 0.00 0.00 174.94 173.29 1wim s PHE 30 N -1.39 -0.51 0.16 3.50 0.08 -0.53 -4.52 117.98 114.78 1wim s PHE 30 Ca 0.33 1.21 -0.31 0.00 0.12 0.00 0.00 56.93 58.29 1wim s PHE 30 Cb -0.14 0.18 -0.09 0.00 -0.57 0.00 0.00 43.02 42.40 1wim s PHE 30 CO 0.18 -0.27 1.41 0.00 -0.10 0.00 0.00 175.22 176.44 1wim n THR 32 N 3.41 -0.19 -0.07 0.00 -1.04 -1.25 -0.88 114.28 114.26 1wim n THR 32 Ca 0.10 1.18 -0.02 0.00 -2.04 0.00 0.00 64.05 63.28 1wim n THR 32 Cb 0.41 -1.51 -0.02 0.00 -1.82 0.00 0.00 70.33 67.39 1wim n THR 32 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1wim n LEU 33 N -3.57 -0.17 -0.16 -4.42 4.77 -1.26 0.47 117.00 112.66 1wim n LEU 33 Ca 0.01 0.92 -0.12 0.00 -0.03 0.00 0.00 56.01 56.78 1wim n LEU 33 Cb 0.07 -0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 40.73 1wim n LEU 33 CO -0.04 -0.55 0.52 0.00 -1.33 0.00 0.00 177.39 175.99 1wim h LEU 35 N -0.35 0.38 0.28 0.00 3.38 0.08 0.41 115.31 119.50 1wim h LEU 35 Ca 0.10 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1wim h LEU 35 Cb 0.58 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1wim h LEU 35 CO -0.62 0.13 -0.14 0.50 0.09 0.00 0.00 178.44 178.40 1wim h LYS 36 N 0.36 -0.37 -0.58 1.13 3.64 0.40 -2.26 116.57 118.89 1wim h LYS 36 Ca 0.50 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 60.03 1wim h LYS 36 Cb 1.33 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.20 1wim h LYS 36 CO -0.19 -0.25 0.40 1.96 -2.27 0.00 0.00 179.45 179.11 1wim h GLN 37 N -0.56 0.23 0.00 1.90 7.50 -0.62 -0.41 115.11 123.15 1wim h GLN 37 Ca -0.04 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.10 1wim h GLN 37 Cb 0.29 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 27.77 1wim h GLN 37 CO 0.06 0.15 0.00 0.98 -1.50 0.00 0.00 178.83 178.53 1wim n TYR 38 N -4.44 0.00 -0.26 2.96 9.36 0.14 -1.23 117.16 123.69 1wim n TYR 38 Ca 0.10 0.00 0.20 0.00 3.32 0.00 0.00 57.90 61.52 1wim n TYR 38 Cb 0.48 -0.37 0.51 0.00 -0.63 0.00 0.00 39.34 39.33 1wim n TYR 38 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 1wim h VAL 39 N 0.00 0.65 0.48 2.97 -1.51 -1.31 -1.99 116.25 115.54 1wim h VAL 39 Ca 0.00 -0.14 -0.02 0.00 -1.23 0.00 0.00 66.70 65.31 1wim h VAL 39 Cb 0.00 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 29.36 1wim h VAL 39 CO 0.00 0.08 -0.23 -0.33 -1.23 0.00 0.00 177.57 175.85 1wim h GLU 40 N 0.41 -0.62 -0.88 5.19 5.08 -1.06 -1.03 114.58 121.67 1wim h GLU 40 Ca 0.50 0.04 0.22 0.00 -1.00 0.00 0.00 59.36 59.12 1wim h GLU 40 Cb 1.25 0.14 -0.13 0.00 0.50 0.00 0.00 28.75 30.51 1wim h GLU 40 CO -0.20 -0.41 0.35 -0.07 -1.00 0.00 0.00 179.01 177.67 1wim h LEU 41 N -0.66 0.24 0.84 1.33 3.38 -0.73 0.00 115.31 119.72 1wim h LEU 41 Ca -0.07 0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1wim h LEU 41 Cb 0.49 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1wim h LEU 41 CO 0.11 -0.04 -0.50 -0.07 0.09 0.00 0.00 178.44 178.03 1wim h LEU 42 N 0.34 -1.24 -0.01 1.67 3.38 -1.26 -2.89 115.31 115.30 1wim h LEU 42 Ca 0.55 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.62 1wim h LEU 42 Cb 1.07 0.36 -0.05 0.00 0.09 0.00 0.00 40.66 42.13 1wim h LEU 42 CO -0.56 -0.77 -0.36 0.40 0.09 0.00 0.00 178.44 177.24 1wim h ILE 43 N -1.24 0.24 -0.89 1.22 2.04 -0.21 -1.59 117.51 117.08 1wim h ILE 43 Ca -0.11 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.05 1wim h ILE 43 Cb 0.99 0.24 -0.16 0.00 -0.74 0.00 0.00 36.82 37.14 1wim h ILE 43 CO 0.13 0.00 0.24 0.29 0.00 0.00 0.00 178.15 178.81 1wim n LYS 44 N -5.43 -0.06 0.02 2.37 4.01 -0.11 -0.89 118.16 118.07 1wim n LYS 44 Ca -0.05 1.28 -0.03 0.00 -0.51 0.00 0.00 58.31 58.99 1wim n LYS 44 Cb 0.35 -2.15 -0.02 0.00 -0.51 0.00 0.00 35.03 32.69 1wim n LYS 44 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1wim h GLU 45 N 0.00 -0.15 0.00 1.97 4.81 -1.07 -3.47 114.58 116.68 1wim h GLU 45 Ca 0.64 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.88 1wim h GLU 45 Cb 1.53 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.95 1wim h GLU 45 CO -0.76 -0.10 0.00 0.41 -0.73 0.00 0.00 179.01 177.83 1wim n GLY 46 N -1.10 2.73 0.38 1.92 0.00 -0.07 -4.95 105.19 104.10 1wim n GLY 46 Ca -0.02 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 1wim n GLY 46 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wim h LEU 47 N 0.00 -1.20 -9.72 0.99 5.85 -1.86 -3.41 115.31 105.96 1wim h LEU 47 Ca 0.00 0.12 -0.53 0.00 0.84 0.00 0.00 57.88 58.31 1wim h LEU 47 Cb 0.00 0.43 0.05 0.00 0.37 0.00 0.00 40.66 41.51 1wim h LEU 47 CO 0.00 -0.46 0.73 -1.61 -0.34 0.00 0.00 178.44 176.76 1wim s GLU 48 N -5.16 4.31 -0.09 1.25 0.41 -1.26 -4.93 118.70 113.22 1wim s GLU 48 Ca -0.13 2.22 0.16 0.00 -0.41 0.00 0.00 54.97 56.81 1wim s GLU 48 Cb 0.04 -3.14 -0.23 0.00 -1.78 0.00 0.00 34.13 29.02 1wim s GLU 48 CO 0.47 -0.37 0.45 2.41 -0.49 0.00 0.00 175.26 177.73 1wim n THR 49 N 2.48 1.41 -4.41 3.63 -1.04 -1.26 -4.88 114.28 110.20 1wim n THR 49 Ca 0.07 -0.80 -0.24 0.00 -2.04 0.00 0.00 64.05 61.04 1wim n THR 49 Cb 0.41 -0.74 -0.09 0.00 -1.82 0.00 0.00 70.33 68.09 1wim n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wim s ALA 50 N -2.63 2.94 -0.33 2.41 0.00 -1.26 -4.59 121.76 118.30 1wim s ALA 50 Ca -0.07 -1.86 -0.07 0.00 0.00 0.00 0.00 51.96 49.97 1wim s ALA 50 Cb 0.08 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.84 1wim s ALA 50 CO 0.83 0.22 0.10 0.42 0.00 0.00 0.00 175.76 177.34 1wim s ILE 51 N -2.47 3.83 0.69 0.00 -1.09 -1.26 -5.03 121.20 115.86 1wim s ILE 51 Ca 0.31 -1.05 -0.08 0.00 -2.23 0.00 0.00 60.65 57.60 1wim s ILE 51 Cb -0.04 -3.14 0.15 0.00 -1.58 0.00 0.00 42.46 37.86 1wim s ILE 51 CO 0.17 -0.13 0.94 -1.54 -1.23 0.00 0.00 174.94 173.15 1wim n SER 52 N 4.83 0.43 -4.74 3.58 3.41 -1.26 -0.51 113.62 119.35 1wim n SER 52 Ca -0.13 -1.56 -0.41 0.00 -0.26 0.00 0.00 58.87 56.51 1wim n SER 52 Cb 0.45 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 1wim n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wim n PRO 54 N 2.26 0.49 -4.05 0.00 -0.04 -1.26 -4.71 135.00 127.69 1wim n PRO 54 Ca 0.04 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.16 1wim n PRO 54 Cb 0.44 -1.34 -0.07 0.00 -0.04 0.00 0.00 33.50 32.49 1wim n PRO 54 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1wim s ASP 55 N -1.85 5.93 -0.13 3.54 -1.08 -1.26 -5.00 116.67 116.83 1wim s ASP 55 Ca 0.16 0.27 0.04 0.00 -0.52 0.00 0.00 52.55 52.51 1wim s ASP 55 Cb 0.07 -1.79 -0.24 0.00 -1.46 0.00 0.00 42.92 39.51 1wim s ASP 55 CO 0.12 0.33 0.34 0.00 0.52 0.00 0.00 175.17 176.48 1wim n ALA 56 N 1.51 1.25 -0.15 3.66 0.00 -1.26 -4.17 120.51 121.36 1wim n ALA 56 Ca -0.15 -0.83 -0.10 0.00 0.00 0.00 0.00 53.44 52.36 1wim n ALA 56 Cb 0.53 -0.59 0.05 0.00 0.00 0.00 0.00 19.45 19.45 1wim n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wim n ALA 57 N -2.85 4.03 -3.41 0.00 0.00 -1.26 -4.79 120.51 112.22 1wim n ALA 57 Ca -0.29 -1.06 -0.44 0.00 0.00 0.00 0.00 53.44 51.65 1wim n ALA 57 Cb 1.06 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 19.25 1wim n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wim n PRO 59 N 5.10 0.17 0.07 0.00 -0.04 -1.26 -2.87 135.00 136.16 1wim n PRO 59 Ca -0.11 0.40 -0.22 0.00 -0.04 0.00 0.00 63.50 63.53 1wim n PRO 59 Cb 0.40 -1.82 -0.15 0.00 -0.04 0.00 0.00 33.50 31.89 1wim n PRO 59 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1wim h LYS 60 N 0.00 0.37 -4.34 0.54 1.63 -1.95 -3.49 116.57 109.33 1wim h LYS 60 Ca 0.00 -0.64 -0.23 0.00 -0.85 0.00 0.00 60.65 58.94 1wim h LYS 60 Cb 0.34 0.24 0.11 0.00 -0.60 0.00 0.00 32.23 32.31 1wim h LYS 60 CO 0.00 1.30 -0.49 1.04 -3.45 0.00 0.00 179.45 177.85 1wim n GLN 61 N -3.85 -4.53 -2.46 1.90 6.02 -1.14 -4.95 117.38 108.37 1wim n GLN 61 Ca -0.20 0.55 -0.43 0.00 -0.01 0.00 0.00 57.00 56.91 1wim n GLN 61 Cb 0.97 -4.71 -0.02 0.00 1.02 0.00 0.00 30.24 27.51 1wim n GLN 61 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1wim s GLY 62 N -3.74 1.69 0.57 1.08 0.00 -1.26 -4.76 107.32 100.90 1wim s GLY 62 Ca 0.09 0.44 -0.07 0.00 0.00 0.00 0.00 44.72 45.17 1wim s GLY 62 CO 0.48 2.43 0.90 0.30 0.00 0.00 0.00 173.10 177.21 1wim s HIS 63 N 3.34 3.44 -0.30 1.90 3.76 -1.26 -2.62 115.29 123.54 1wim s HIS 63 Ca 0.53 0.85 -0.15 0.00 -0.15 0.00 0.00 55.06 56.15 1wim s HIS 63 Cb -0.21 -2.61 -0.02 0.00 1.11 0.00 0.00 32.58 30.85 1wim s HIS 63 CO 0.14 -0.64 0.39 -0.51 -0.85 0.00 0.00 174.74 173.27 1wim s LEU 64 N -4.97 4.21 0.00 0.89 2.01 0.33 -4.77 118.68 116.38 1wim s LEU 64 Ca 0.52 0.07 -0.13 0.00 0.01 0.00 0.00 54.13 54.60 1wim s LEU 64 Cb -0.11 -2.41 0.20 0.00 0.01 0.00 0.00 46.19 43.88 1wim s LEU 64 CO 0.47 -0.27 0.58 0.00 1.01 0.00 0.00 176.35 178.14 1wim n GLN 65 N 5.40 -2.97 -0.04 1.70 3.00 -1.26 -4.60 117.38 118.61 1wim n GLN 65 Ca -0.08 -0.95 -0.14 0.00 -0.01 0.00 0.00 57.00 55.82 1wim n GLN 65 Cb 0.50 -1.04 -0.11 0.00 0.00 0.00 0.00 30.24 29.59 1wim n GLN 65 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1wim h GLU 66 N 0.00 0.02 -0.40 -1.09 4.81 -2.00 -3.26 114.58 112.67 1wim h GLU 66 Ca -0.24 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.01 1wim h GLU 66 Cb 0.76 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.10 1wim h GLU 66 CO 0.15 0.76 -0.24 -1.71 -0.73 0.00 0.00 179.01 177.25 1wim n ASN 67 N -4.71 -0.42 0.00 1.04 5.15 -1.26 -0.31 115.26 114.75 1wim n ASN 67 Ca -0.09 1.14 -0.02 0.00 -0.60 0.00 0.00 54.58 55.00 1wim n ASN 67 Cb 0.38 -0.31 -0.02 0.00 -0.53 0.00 0.00 39.78 39.30 1wim n ASN 67 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1wim h GLU 68 N 0.00 -0.09 -0.89 1.20 3.07 -1.95 -2.54 114.58 113.37 1wim h GLU 68 Ca 0.06 0.01 0.12 0.00 -0.50 0.00 0.00 59.36 59.05 1wim h GLU 68 Cb 0.16 0.02 -0.13 0.00 -0.84 0.00 0.00 28.75 27.96 1wim h GLU 68 CO -0.37 -0.06 -0.41 -0.89 -1.40 0.00 0.00 179.01 175.88 1wim n ILE 69 N -3.02 -0.51 -0.26 3.13 5.41 -0.73 0.64 119.36 124.01 1wim n ILE 69 Ca -0.01 2.11 0.16 0.00 1.00 0.00 0.00 62.75 66.01 1wim n ILE 69 Cb 0.06 -2.72 0.30 0.00 -0.71 0.00 0.00 39.64 36.57 1wim n ILE 69 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1wim n GLU 70 N -5.25 -0.06 -0.04 0.38 2.13 0.57 0.75 120.64 119.13 1wim n GLU 70 Ca 0.07 1.13 -0.14 0.00 0.66 0.00 0.00 57.16 58.88 1wim n GLU 70 Cb 0.32 -1.87 -0.11 0.00 0.27 0.00 0.00 31.44 30.04 1wim n GLU 70 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wim h MET 72 N -0.63 -0.31 -6.43 0.00 2.86 1.00 -3.41 114.93 108.01 1wim h MET 72 Ca -0.02 0.02 -0.65 0.00 -2.06 0.00 0.00 59.70 56.99 1wim h MET 72 Cb 0.89 0.07 -0.13 0.00 0.06 0.00 0.00 31.60 32.49 1wim h MET 72 CO 0.03 -0.20 -0.69 0.14 1.06 0.00 0.00 176.91 177.24 1wim s VAL 73 N -5.72 3.76 0.60 -2.22 -7.23 -0.30 -4.88 120.40 104.40 1wim s VAL 73 Ca -0.14 -1.12 -0.10 0.00 -1.81 0.00 0.00 61.98 58.81 1wim s VAL 73 Cb 0.10 -2.78 0.15 0.00 0.56 0.00 0.00 36.38 34.41 1wim s VAL 73 CO 0.63 0.11 0.58 0.00 -0.31 0.00 0.00 175.10 176.11 1wim n ALA 74 N 0.59 -1.54 0.14 1.32 0.00 -1.26 -4.55 120.51 115.20 1wim n ALA 74 Ca -0.12 -0.84 -0.14 0.00 0.00 0.00 0.00 53.44 52.35 1wim n ALA 74 Cb 0.52 -0.05 -0.08 0.00 0.00 0.00 0.00 19.45 19.84 1wim n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wim h ALA 75 N -2.28 -0.34 -1.48 0.00 0.00 -1.98 0.23 119.26 113.42 1wim h ALA 75 Ca -0.21 -0.14 0.45 0.00 0.00 0.00 0.00 54.91 55.01 1wim h ALA 75 Cb 0.63 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.46 1wim h ALA 75 CO 0.14 -0.60 1.01 1.05 0.00 0.00 0.00 179.25 180.86 1wim h GLU 76 N -0.51 0.06 0.00 0.00 4.11 -2.01 -1.31 114.58 114.91 1wim h GLU 76 Ca -0.03 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 1wim h GLU 76 Cb 0.38 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1wim h GLU 76 CO 0.06 0.04 -0.60 -0.89 0.07 0.00 0.00 179.01 177.69 1wim n ILE 77 N -4.35 1.43 -0.24 -1.06 2.08 -1.04 -4.33 119.36 111.84 1wim n ILE 77 Ca 0.36 0.20 0.14 0.00 0.56 0.00 0.00 62.75 64.01 1wim n ILE 77 Cb 1.53 -2.37 0.27 0.00 -0.75 0.00 0.00 39.64 38.32 1wim n ILE 77 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91 1wim n MET 78 N -4.59 -0.05 -0.23 0.38 1.56 0.79 0.14 117.12 115.12 1wim n MET 78 Ca -0.09 1.04 0.00 0.00 -0.27 0.00 0.00 57.70 58.38 1wim n MET 78 Cb 0.31 -1.71 0.07 0.00 2.15 0.00 0.00 33.22 34.04 1wim n MET 78 CO 0.00 0.00 0.00 0.37 -0.73 0.00 0.00 175.97 175.61 1wim h GLN 79 N 0.00 -0.00 -0.60 2.12 5.75 -1.46 0.31 115.11 121.23 1wim h GLN 79 Ca 0.48 0.00 0.12 0.00 -0.15 0.00 0.00 58.65 59.10 1wim h GLN 79 Cb 1.10 0.00 -0.11 0.00 1.07 0.00 0.00 27.48 29.54 1wim h GLN 79 CO -0.63 -0.00 -0.10 0.00 -2.65 0.00 0.00 178.83 175.44 1wim h ARG 80 N -0.00 0.03 0.47 1.69 3.08 0.10 0.24 114.38 119.99 1wim h ARG 80 Ca 0.32 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.35 1wim h ARG 80 Cb 0.49 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 1wim h ARG 80 CO -0.69 0.02 -0.27 -0.92 -1.07 0.00 0.00 179.97 177.03 1wim h TYR 81 N 0.03 -0.72 -0.91 3.04 3.20 -1.00 -1.98 116.97 118.64 1wim h TYR 81 Ca 0.30 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.28 1wim h TYR 81 Cb 0.47 0.25 -0.09 0.00 1.54 0.00 0.00 36.73 38.90 1wim h TYR 81 CO -0.45 -0.43 0.53 0.87 -1.64 0.00 0.00 178.16 177.04 1wim h LYS 82 N -0.70 0.79 -0.87 1.82 1.57 -0.56 -0.26 116.57 118.35 1wim h LYS 82 Ca -0.06 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1wim h LYS 82 Cb 0.57 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 1wim h LYS 82 CO 0.07 0.52 0.57 -0.22 -0.57 0.00 0.00 179.45 179.83 1wim h LYS 83 N 0.81 1.10 0.63 3.15 3.64 -0.22 0.79 116.57 126.47 1wim h LYS 83 Ca 0.46 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.75 1wim h LYS 83 Cb 0.53 -0.25 0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1wim h LYS 83 CO -0.30 0.73 -0.30 -0.07 -2.27 0.00 0.00 179.45 177.24 1wim h LEU 84 N 1.13 -0.72 0.52 5.20 3.38 -0.30 -3.05 115.31 121.47 1wim h LEU 84 Ca 0.33 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 1wim h LEU 84 Cb -0.05 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1wim h LEU 84 CO -0.09 -0.41 -0.31 1.56 0.09 0.00 0.00 178.44 179.28 1wim h GLN 85 N -1.01 -0.76 -0.72 1.13 4.20 -1.28 -2.89 115.11 113.78 1wim h GLN 85 Ca -0.09 0.05 0.14 0.00 0.06 0.00 0.00 58.65 58.82 1wim h GLN 85 Cb 0.69 0.17 -0.13 0.00 0.30 0.00 0.00 27.48 28.51 1wim h GLN 85 CO 0.14 -0.51 -0.19 0.34 -0.67 0.00 0.00 178.83 177.94 1wim n PHE 86 N -5.45 0.24 -0.24 2.96 7.35 0.26 0.15 117.46 122.71 1wim n PHE 86 Ca -0.12 0.88 0.02 0.00 -0.76 0.00 0.00 57.45 57.48 1wim n PHE 86 Cb 0.35 -0.90 0.11 0.00 0.35 0.00 0.00 39.48 39.38 1wim n PHE 86 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1wim h GLU 87 N 0.00 0.04 -0.01 -4.13 5.08 -1.39 -1.76 114.58 112.41 1wim h GLU 87 Ca 0.34 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.63 1wim h GLU 87 Cb 0.52 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1wim h GLU 87 CO -0.74 0.02 -0.25 0.00 -1.00 0.00 0.00 179.01 177.04 1wim h ARG 88 N 0.04 0.19 -0.73 2.33 3.08 0.13 -3.28 114.38 116.13 1wim h ARG 88 Ca 0.36 -0.19 0.24 0.00 0.07 0.00 0.00 59.98 60.47 1wim h ARG 88 Cb 0.59 0.05 -0.13 0.00 0.08 0.00 0.00 29.97 30.55 1wim h ARG 88 CO -0.70 0.90 0.16 0.45 -1.07 0.00 0.00 179.97 179.71 1wim n SER 89 N -4.51 0.04 -4.52 7.04 2.88 0.31 -4.47 113.62 110.39 1wim n SER 89 Ca -0.09 1.23 -0.49 0.00 -1.33 0.00 0.00 58.87 58.19 1wim n SER 89 Cb 0.49 -0.50 -0.04 0.00 -0.75 0.00 0.00 64.21 63.41 1wim n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wim n GLY 90 N -1.30 -0.55 0.00 0.46 0.00 -0.99 -4.78 105.19 98.02 1wim n GLY 90 Ca 0.21 0.46 0.04 0.00 0.00 0.00 0.00 46.02 46.73 1wim n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wim n PRO 91 N 1.28 0.49 -0.70 1.61 -0.04 -1.26 -4.90 135.00 131.47 1wim n PRO 91 Ca 0.15 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.35 1wim n PRO 91 Cb 0.25 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 1wim n PRO 91 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wim n SER 92 N -0.75 -0.29 -4.55 3.54 2.88 -1.26 -4.59 113.62 108.59 1wim n SER 92 Ca 0.06 0.55 -0.31 0.00 -1.33 0.00 0.00 58.87 57.84 1wim n SER 92 Cb 0.03 -0.45 -0.04 0.00 -0.75 0.00 0.00 64.21 63.00 1wim n SER 92 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wim s SER 93 N -0.23 4.65 0.00 -3.46 1.04 -1.26 -5.17 113.70 109.26 1wim s SER 93 Ca 0.38 0.41 0.00 0.00 0.48 0.00 0.00 55.95 57.21 1wim s SER 93 Cb -0.53 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.06 1wim s SER 93 CO 0.27 -2.94 0.00 0.61 0.98 0.00 0.00 173.24 172.17