#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 -0.81 -0.69 1.61 0.01 -1.26 -5.04 113.70 107.51 1wim s SER 2 Ca 0.00 1.35 -0.02 0.00 1.31 0.00 0.00 55.95 58.59 1wim s SER 2 Cb 0.00 1.78 0.34 0.00 0.21 0.00 0.00 66.02 68.35 1wim s SER 2 CO 0.00 -0.22 2.12 -1.20 0.41 0.00 0.00 173.24 174.35 1wim n SER 3 N 5.18 7.39 0.00 2.44 7.64 -1.26 -4.87 113.62 130.14 1wim n SER 3 Ca -0.13 -3.68 0.00 0.00 1.01 0.00 0.00 58.87 56.07 1wim n SER 3 Cb 0.51 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 1wim n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wim n GLY 4 N -0.43 1.06 3.36 0.23 0.00 -1.26 -4.94 105.19 103.21 1wim n GLY 4 Ca 0.55 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 1wim n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wim s SER 5 N 0.00 -0.57 0.06 1.61 1.04 -1.26 -3.73 113.70 110.85 1wim s SER 5 Ca 0.00 1.01 0.22 0.00 0.48 0.00 0.00 55.95 57.66 1wim s SER 5 Cb 0.00 0.93 -0.17 0.00 0.10 0.00 0.00 66.02 66.88 1wim s SER 5 CO 0.00 -0.19 0.75 -1.20 0.98 0.00 0.00 173.24 173.58 1wim n SER 6 N 3.78 0.40 -1.30 7.02 7.64 -1.20 -4.97 113.62 124.98 1wim n SER 6 Ca -0.19 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1wim n SER 6 Cb 0.56 1.29 0.00 0.00 -1.01 0.00 0.00 64.21 65.05 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 1.25 -4.43 3.80 0.23 0.00 -1.26 -4.98 105.19 99.80 1wim n GLY 7 Ca -0.02 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 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 1.48 2.77 -0.08 0.00 5.02 -1.26 -2.47 118.16 123.62 1wim n LYS 9 Ca -0.07 -2.62 -0.14 0.00 -2.02 0.00 0.00 58.31 53.46 1wim n LYS 9 Cb 0.50 -1.55 -0.06 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 1.53 1.91 -0.00 -0.35 4.77 -1.26 -4.77 117.00 118.83 1wim n LEU 10 Ca 0.23 0.08 0.03 0.00 -0.03 0.00 0.00 56.01 56.32 1wim n LEU 10 Cb 0.61 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1wim n LEU 10 CO 0.16 0.51 -0.32 0.00 -1.33 0.00 0.00 177.39 176.42 1wim n LEU 12 N -1.45 -3.71 -4.05 0.00 4.77 -1.03 -5.03 117.00 106.50 1wim n LEU 12 Ca -0.00 -0.48 -0.29 0.00 -0.03 0.00 0.00 56.01 55.21 1wim n LEU 12 Cb 0.13 -2.49 -0.17 0.00 -2.33 0.00 0.00 43.42 38.57 1wim n LEU 12 CO 0.13 0.26 -0.49 -0.83 -1.33 0.00 0.00 177.39 175.12 1wim s GLY 13 N -3.92 1.09 -0.04 -0.72 0.00 -1.26 -4.89 107.32 97.58 1wim s GLY 13 Ca 0.05 -0.82 -0.30 0.00 0.00 0.00 0.00 44.72 43.65 1wim s GLY 13 CO 0.55 0.34 1.72 -0.54 0.00 0.00 0.00 173.10 175.17 1wim s GLU 14 N 1.18 4.16 0.03 2.90 2.02 -1.26 -3.69 118.70 124.05 1wim s GLU 14 Ca -0.02 2.27 0.00 0.00 0.02 0.00 0.00 54.97 57.24 1wim s GLU 14 Cb -0.14 -4.02 -0.03 0.00 0.10 0.00 0.00 34.13 30.04 1wim s GLU 14 CO -0.05 -0.88 -0.04 0.71 0.02 0.00 0.00 175.26 175.02 1wim s TYR 15 N 4.16 0.43 0.32 1.61 2.02 -1.26 -5.02 117.35 119.61 1wim s TYR 15 Ca 0.77 -0.64 -0.28 0.00 -0.37 0.00 0.00 57.07 56.54 1wim s TYR 15 Cb -0.35 -0.29 -0.10 0.00 -0.40 0.00 0.00 41.96 40.82 1wim s TYR 15 CO 0.32 -0.20 1.22 -1.25 -1.57 0.00 0.00 175.55 174.07 1wim s PRO 16 N -2.06 4.41 0.66 -1.71 0.04 -1.24 -3.27 135.00 131.82 1wim s PRO 16 Ca -0.09 2.03 0.16 0.00 0.04 0.00 0.00 61.00 63.15 1wim s PRO 16 Cb -0.06 -3.06 0.87 0.00 0.04 0.00 0.00 34.50 32.29 1wim s PRO 16 CO -0.03 -0.08 1.48 -0.39 0.04 0.00 0.00 177.00 178.03 1wim h VAL 17 N 2.96 0.01 -0.47 -0.36 -1.51 -1.93 0.52 116.25 115.48 1wim h VAL 17 Ca -0.48 0.00 -0.10 0.00 -1.23 0.00 0.00 66.70 64.88 1wim h VAL 17 Cb 1.22 0.34 -0.01 0.00 -2.13 0.00 0.00 31.29 30.71 1wim h VAL 17 CO 0.65 0.00 -0.11 -0.08 -1.23 0.00 0.00 177.57 176.80 1wim h GLU 18 N 0.00 0.91 -1.11 5.19 4.81 -1.94 -3.01 114.58 119.43 1wim h GLU 18 Ca 0.03 -0.35 -0.57 0.00 -0.13 0.00 0.00 59.36 58.34 1wim h GLU 18 Cb 1.37 -0.05 -0.26 0.00 0.63 0.00 0.00 28.75 30.44 1wim h GLU 18 CO -0.00 1.00 0.74 1.04 -0.73 0.00 0.00 179.01 181.06 1wim n GLN 19 N -4.23 2.42 -4.10 1.92 6.02 0.18 -4.92 117.38 114.66 1wim n GLN 19 Ca 0.00 -2.83 -0.11 0.00 -0.01 0.00 0.00 57.00 54.05 1wim n GLN 19 Cb 0.39 -2.11 -0.11 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 -3.27 0.65 -0.06 -1.09 -1.94 -1.14 -3.30 119.30 109.14 1wim s MET 20 Ca 0.56 -1.06 0.03 0.00 -1.71 0.00 0.00 55.69 53.51 1wim s MET 20 Cb 0.44 -0.14 0.01 0.00 2.01 0.00 0.00 34.83 37.15 1wim s MET 20 CO 0.01 -0.01 -0.15 0.99 -0.01 0.00 0.00 175.02 175.84 1wim s THR 21 N -2.74 1.35 -0.16 2.05 2.01 0.70 -4.83 115.64 114.04 1wim s THR 21 Ca 0.01 -0.63 -0.10 0.00 0.31 0.00 0.00 61.69 61.28 1wim s THR 21 Cb -0.01 -1.20 -0.05 0.00 0.01 0.00 0.00 72.50 71.25 1wim s THR 21 CO -0.04 0.40 0.19 -0.89 -0.69 0.00 0.00 174.62 173.59 1wim s THR 22 N 0.44 5.39 -0.08 -0.82 2.01 -1.26 -1.09 115.64 120.23 1wim s THR 22 Ca -0.12 0.31 -0.24 0.00 0.31 0.00 0.00 61.69 61.95 1wim s THR 22 Cb -0.15 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 1wim s THR 22 CO 0.04 0.48 0.72 -0.63 -0.69 0.00 0.00 174.62 174.54 1wim s ILE 23 N -0.07 5.02 -0.53 1.82 1.01 0.52 -4.94 121.20 124.03 1wim s ILE 23 Ca 0.13 1.47 0.04 0.00 0.00 0.00 0.00 60.65 62.28 1wim s ILE 23 Cb -0.12 -4.05 0.28 0.00 0.01 0.00 0.00 42.46 38.57 1wim s ILE 23 CO 0.02 0.22 1.08 0.00 0.00 0.00 0.00 174.94 176.26 1wim n ALA 24 N 4.00 3.21 -0.03 9.38 0.00 -1.26 -2.05 120.51 133.76 1wim n ALA 24 Ca -0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 53.44 52.58 1wim n ALA 24 Cb 0.51 -1.09 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 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 0.12 0.13 -1.62 0.00 6.02 -1.26 -4.83 117.38 115.93 1wim n GLN 25 Ca 0.14 0.04 0.01 0.00 -0.01 0.00 0.00 57.00 57.18 1wim n GLN 25 Cb 0.71 -0.89 0.07 0.00 1.02 0.00 0.00 30.24 31.14 1wim n GLN 25 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wim n GLN 27 N -0.17 -0.82 -3.93 0.00 1.13 -0.87 -4.87 117.38 107.85 1wim n GLN 27 Ca 0.12 0.10 -0.35 0.00 -1.94 0.00 0.00 57.00 54.93 1wim n GLN 27 Cb 0.97 -3.61 -0.11 0.00 0.11 0.00 0.00 30.24 27.59 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 0.94 5.44 -0.03 0.00 2.07 -1.26 -0.36 121.20 128.02 1wim s ILE 29 Ca 0.04 0.00 -0.21 0.00 -1.41 0.00 0.00 60.65 59.07 1wim s ILE 29 Cb -0.14 -3.50 0.04 0.00 0.13 0.00 0.00 42.46 38.99 1wim s ILE 29 CO 0.03 0.43 0.44 -0.36 -1.91 0.00 0.00 174.94 173.56 1wim s PHE 30 N -1.22 -0.35 0.06 3.50 0.08 -0.25 -4.68 117.98 115.12 1wim s PHE 30 Ca 0.23 0.56 -0.31 0.00 0.12 0.00 0.00 56.93 57.54 1wim s PHE 30 Cb -0.12 0.21 -0.07 0.00 -0.57 0.00 0.00 43.02 42.46 1wim s PHE 30 CO 0.14 -0.47 1.42 0.00 -0.10 0.00 0.00 175.22 176.21 1wim n THR 32 N 4.35 -0.32 -0.05 0.00 -1.04 -1.21 -0.87 114.28 115.14 1wim n THR 32 Ca 0.13 1.37 -0.01 0.00 -2.04 0.00 0.00 64.05 63.50 1wim n THR 32 Cb 0.43 -1.72 -0.01 0.00 -1.82 0.00 0.00 70.33 67.20 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 -4.24 -0.12 -0.03 -4.42 4.77 -1.26 0.27 117.00 111.96 1wim n LEU 33 Ca 0.01 0.87 -0.05 0.00 -0.03 0.00 0.00 56.01 56.81 1wim n LEU 33 Cb 0.12 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 1wim n LEU 33 CO -0.08 -0.50 0.50 0.00 -1.33 0.00 0.00 177.39 175.99 1wim h LEU 35 N -0.15 -0.26 0.45 0.00 3.38 -0.68 0.30 115.31 118.34 1wim h LEU 35 Ca 0.02 0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1wim h LEU 35 Cb 0.20 0.41 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1wim h LEU 35 CO -0.17 -0.34 -0.48 0.50 0.09 0.00 0.00 178.44 178.03 1wim h LYS 36 N 0.04 -0.90 -0.42 1.13 3.64 0.13 -0.58 116.57 119.61 1wim h LYS 36 Ca 0.64 0.06 0.02 0.00 -1.27 0.00 0.00 60.65 60.10 1wim h LYS 36 Cb 1.40 0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 33.40 1wim h LYS 36 CO -0.86 -0.60 0.23 1.96 -2.27 0.00 0.00 179.45 177.91 1wim h GLN 37 N -0.93 0.45 -0.04 1.90 4.20 -0.05 0.43 115.11 121.07 1wim h GLN 37 Ca -0.06 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.65 1wim h GLN 37 Cb 0.82 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.44 1wim h GLN 37 CO -0.08 0.30 -0.53 -0.92 -0.67 0.00 0.00 178.83 176.93 1wim h TYR 38 N 0.46 -1.57 -0.37 2.96 3.20 -0.30 0.33 116.97 121.68 1wim h TYR 38 Ca 0.17 0.05 -0.10 0.00 3.14 0.00 0.00 58.73 62.00 1wim h TYR 38 Cb 0.04 0.69 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 1wim h TYR 38 CO -0.08 -0.56 -0.18 -0.39 -1.64 0.00 0.00 178.16 175.31 1wim h VAL 39 N -0.64 1.26 0.37 1.81 -1.51 -0.98 -2.41 116.25 114.16 1wim h VAL 39 Ca 0.02 -1.24 -0.02 0.00 -1.23 0.00 0.00 66.70 64.23 1wim h VAL 39 Cb 0.70 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 31.04 1wim h VAL 39 CO -0.38 0.41 -0.22 -0.33 -1.23 0.00 0.00 177.57 175.83 1wim h GLU 40 N 0.62 -0.53 -0.88 5.19 5.08 0.63 -0.90 114.58 123.78 1wim h GLU 40 Ca 0.10 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.65 1wim h GLU 40 Cb 0.65 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 29.92 1wim h GLU 40 CO 0.05 -0.35 0.46 -0.07 -1.00 0.00 0.00 179.01 178.10 1wim h LEU 41 N -0.55 0.55 -0.45 1.33 4.07 -0.43 0.17 115.31 120.00 1wim h LEU 41 Ca -0.05 0.10 0.05 0.00 0.08 0.00 0.00 57.88 58.06 1wim h LEU 41 Cb 0.43 0.01 -0.05 0.00 1.08 0.00 0.00 40.66 42.14 1wim h LEU 41 CO 0.06 0.21 0.17 -0.07 -1.08 0.00 0.00 178.44 177.73 1wim h LEU 42 N 0.62 0.20 -0.28 1.67 3.38 -1.28 -1.59 115.31 118.04 1wim h LEU 42 Ca 0.49 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 58.39 1wim h LEU 42 Cb 0.74 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1wim h LEU 42 CO -0.38 0.15 -0.31 0.40 0.09 0.00 0.00 178.44 178.39 1wim h ILE 43 N 0.35 1.30 -0.89 1.22 2.04 0.32 -3.08 117.51 118.77 1wim h ILE 43 Ca 0.21 -1.48 0.16 0.00 1.00 0.00 0.00 64.86 64.75 1wim h ILE 43 Cb 0.18 1.61 -0.07 0.00 -0.74 0.00 0.00 36.82 37.80 1wim h ILE 43 CO -0.20 0.47 0.58 0.11 0.00 0.00 0.00 178.15 179.11 1wim h LYS 44 N 0.44 0.59 0.74 2.37 1.57 -0.33 -2.37 116.57 119.59 1wim h LYS 44 Ca 0.04 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1wim h LYS 44 Cb 0.88 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 1wim h LYS 44 CO 0.07 0.39 -0.44 1.49 -0.57 0.00 0.00 179.45 180.39 1wim h GLU 45 N 0.61 -1.07 0.00 3.15 4.81 -1.21 -3.47 114.58 117.40 1wim h GLU 45 Ca 0.46 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 1wim h GLU 45 Cb 0.85 0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1wim h GLU 45 CO -0.20 -0.71 0.00 0.41 -0.73 0.00 0.00 179.01 177.77 1wim n GLY 46 N -1.59 3.10 0.48 1.92 0.00 -0.89 -4.91 105.19 103.30 1wim n GLY 46 Ca -0.14 -0.95 -0.17 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.41 -9.27 0.99 5.85 -1.88 -3.40 115.31 106.19 1wim h LEU 47 Ca 0.00 0.13 -0.55 0.00 0.84 0.00 0.00 57.88 58.30 1wim h LEU 47 Cb 0.00 0.49 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1wim h LEU 47 CO 0.00 -0.62 1.05 -0.70 -0.34 0.00 0.00 178.44 177.83 1wim s GLU 48 N -5.86 4.19 -0.01 1.25 2.12 -1.26 -4.89 118.70 114.24 1wim s GLU 48 Ca -0.17 2.14 0.10 0.00 0.36 0.00 0.00 54.97 57.39 1wim s GLU 48 Cb 0.05 -3.91 -0.23 0.00 0.26 0.00 0.00 34.13 30.30 1wim s GLU 48 CO 0.61 -0.81 0.78 1.79 -0.54 0.00 0.00 175.26 177.09 1wim h THR 49 N 5.47 1.02 -1.73 -1.70 1.35 -1.93 -3.45 112.91 111.94 1wim h THR 49 Ca -0.38 -2.83 -0.52 0.00 -0.55 0.00 0.00 66.41 62.13 1wim h THR 49 Cb 1.17 2.53 -0.05 0.00 -1.73 0.00 0.00 68.15 70.07 1wim h THR 49 CO 0.95 0.62 -0.46 0.00 -0.25 0.00 0.00 175.52 176.38 1wim s ALA 50 N -2.62 3.79 -0.46 6.62 0.00 -1.26 -4.71 121.76 123.12 1wim s ALA 50 Ca -0.05 -1.83 0.03 0.00 0.00 0.00 0.00 51.96 50.12 1wim s ALA 50 Cb 0.08 -0.91 0.12 0.00 0.00 0.00 0.00 23.12 22.41 1wim s ALA 50 CO 0.82 -0.08 0.20 0.42 0.00 0.00 0.00 175.76 177.12 1wim s ILE 51 N -2.42 2.57 1.09 0.00 -1.09 -1.26 -5.02 121.20 115.07 1wim s ILE 51 Ca 0.42 -2.95 -0.18 0.00 -2.23 0.00 0.00 60.65 55.71 1wim s ILE 51 Cb -0.03 -2.81 0.27 0.00 -1.58 0.00 0.00 42.46 38.31 1wim s ILE 51 CO 0.25 -0.73 1.03 -1.54 -1.23 0.00 0.00 174.94 172.72 1wim n SER 52 N 3.54 -1.71 -4.74 3.58 3.41 -1.26 0.07 113.62 116.51 1wim n SER 52 Ca 0.05 -1.16 -0.41 0.00 -0.26 0.00 0.00 58.87 57.09 1wim n SER 52 Cb 0.36 -0.92 -0.03 0.00 -0.26 0.00 0.00 64.21 63.35 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 2.57 0.30 -3.72 0.00 -0.04 -1.26 -4.45 135.00 128.40 1wim n PRO 54 Ca 0.05 0.10 -0.38 0.00 -0.04 0.00 0.00 63.50 63.23 1wim n PRO 54 Cb 0.44 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.29 1wim n PRO 54 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wim s ASP 55 N -2.40 5.38 0.34 3.54 1.11 -1.26 -4.95 116.67 118.42 1wim s ASP 55 Ca 0.17 -1.50 0.04 0.00 0.18 0.00 0.00 52.55 51.44 1wim s ASP 55 Cb 0.10 -1.89 0.60 0.00 1.07 0.00 0.00 42.92 42.81 1wim s ASP 55 CO 0.21 -0.45 1.89 0.00 1.18 0.00 0.00 175.17 178.00 1wim h ALA 56 N 8.23 1.39 -0.20 5.23 0.00 -1.98 -2.64 119.26 129.29 1wim h ALA 56 Ca -0.21 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 1wim h ALA 56 Cb 1.07 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 1wim h ALA 56 CO 0.68 0.43 0.17 0.00 0.00 0.00 0.00 179.25 180.53 1wim n ALA 57 N -2.47 4.23 -2.64 0.00 0.00 -1.26 -4.87 120.51 113.49 1wim n ALA 57 Ca 0.02 -0.66 -0.40 0.00 0.00 0.00 0.00 53.44 52.40 1wim n ALA 57 Cb 0.22 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 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 5.34 0.09 -0.03 0.00 -0.04 -1.26 -2.74 135.00 136.38 1wim n PRO 59 Ca -0.02 0.34 0.01 0.00 -0.04 0.00 0.00 63.50 63.79 1wim n PRO 59 Cb 0.49 -1.68 -0.08 0.00 -0.04 0.00 0.00 33.50 32.19 1wim n PRO 59 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1wim n LYS 60 N -1.86 1.20 -3.87 0.54 4.81 -1.26 -5.03 118.16 112.69 1wim n LYS 60 Ca 0.03 -0.06 -0.25 0.00 -0.87 0.00 0.00 58.31 57.16 1wim n LYS 60 Cb 0.20 -1.27 -0.00 0.00 0.02 0.00 0.00 35.03 33.97 1wim n LYS 60 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1wim n GLN 61 N -2.11 -3.55 -0.44 1.64 6.02 -1.11 -4.96 117.38 112.88 1wim n GLN 61 Ca -0.09 0.46 -0.06 0.00 -0.01 0.00 0.00 57.00 57.31 1wim n GLN 61 Cb 0.53 -4.66 0.04 0.00 1.02 0.00 0.00 30.24 27.18 1wim n GLN 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wim n GLY 62 N -1.87 -1.05 2.60 1.08 0.00 -1.26 -4.87 105.19 99.83 1wim n GLY 62 Ca -0.30 -1.70 -0.19 0.00 0.00 0.00 0.00 46.02 43.83 1wim n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wim n HIS 63 N -2.31 0.01 -3.62 1.61 -0.00 -1.26 -1.74 115.22 107.90 1wim n HIS 63 Ca 0.03 -2.07 -0.40 0.00 -0.00 0.00 0.00 57.72 55.29 1wim n HIS 63 Cb 0.12 0.03 -0.11 0.00 -0.00 0.00 0.00 29.99 30.03 1wim n HIS 63 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1wim s LEU 64 N 0.00 4.91 0.34 2.41 2.01 0.11 -4.50 118.68 123.96 1wim s LEU 64 Ca 0.18 -1.30 -0.29 0.00 0.01 0.00 0.00 54.13 52.74 1wim s LEU 64 Cb 0.01 -1.98 -0.11 0.00 0.01 0.00 0.00 46.19 44.12 1wim s LEU 64 CO 0.13 -0.46 1.38 0.00 1.01 0.00 0.00 176.35 178.40 1wim s GLN 65 N 1.46 4.26 0.49 1.70 0.00 -1.26 -4.67 119.66 121.65 1wim s GLN 65 Ca 0.02 2.35 0.38 0.00 -0.00 0.00 0.00 55.36 58.10 1wim s GLN 65 Cb -0.21 -3.04 1.54 0.00 0.00 0.00 0.00 33.01 31.30 1wim s GLN 65 CO 0.04 -0.32 1.63 1.49 0.00 0.00 0.00 175.29 178.13 1wim h GLU 66 N 3.33 0.05 -0.89 9.60 4.57 -1.99 0.62 114.58 129.88 1wim h GLU 66 Ca -0.49 -0.00 0.17 0.00 -1.18 0.00 0.00 59.36 57.85 1wim h GLU 66 Cb 1.23 -0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 29.71 1wim h GLU 66 CO 0.66 0.03 0.46 -0.91 -1.18 0.00 0.00 179.01 178.07 1wim h ASN 67 N 0.05 0.53 0.18 1.04 2.35 -2.00 0.25 115.58 117.99 1wim h ASN 67 Ca 0.82 0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 56.67 1wim h ASN 67 Cb 2.92 0.03 0.00 0.00 0.05 0.00 0.00 38.32 41.32 1wim h ASN 67 CO -0.23 0.18 -0.09 -0.33 -1.65 0.00 0.00 177.43 175.32 1wim h GLU 68 N 0.60 -0.24 -0.82 0.81 4.39 -0.09 -3.33 114.58 115.91 1wim h GLU 68 Ca 0.51 0.02 0.18 0.00 0.34 0.00 0.00 59.36 60.40 1wim h GLU 68 Cb 0.79 0.05 -0.15 0.00 -0.10 0.00 0.00 28.75 29.34 1wim h GLU 68 CO -0.40 -0.16 -0.12 0.82 -1.16 0.00 0.00 179.01 177.99 1wim h ILE 69 N -0.52 0.21 -0.24 3.13 2.04 -1.49 0.15 117.51 120.79 1wim h ILE 69 Ca -0.03 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.85 1wim h ILE 69 Cb 0.19 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 1wim h ILE 69 CO 0.04 0.01 -0.14 1.21 0.00 0.00 0.00 178.15 179.27 1wim n GLU 70 N -5.47 -0.10 -0.04 2.37 2.13 0.87 -0.66 120.64 119.74 1wim n GLU 70 Ca 0.14 0.88 -0.14 0.00 0.66 0.00 0.00 57.16 58.69 1wim n GLU 70 Cb 0.47 -1.31 -0.09 0.00 0.27 0.00 0.00 31.44 30.78 1wim n GLU 70 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wim n MET 72 N -4.50 -0.10 -3.90 0.00 0.00 0.46 -4.44 117.12 104.63 1wim n MET 72 Ca -0.08 1.30 -0.22 0.00 0.00 0.00 0.00 57.70 58.71 1wim n MET 72 Cb 0.44 -1.94 -0.05 0.00 0.00 0.00 0.00 33.22 31.67 1wim n MET 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1wim s VAL 73 N -5.99 3.13 0.58 1.12 -7.23 0.17 -4.88 120.40 107.30 1wim s VAL 73 Ca -0.12 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 1wim s VAL 73 Cb 0.21 -3.07 0.04 0.00 0.56 0.00 0.00 36.38 34.13 1wim s VAL 73 CO 0.64 -0.14 0.82 0.00 -0.31 0.00 0.00 175.10 176.11 1wim s ALA 74 N -2.39 3.79 0.13 1.32 0.00 -1.26 -4.77 121.76 118.58 1wim s ALA 74 Ca 0.41 -1.29 -0.31 0.00 0.00 0.00 0.00 51.96 50.77 1wim s ALA 74 Cb -0.04 -2.14 -0.08 0.00 0.00 0.00 0.00 23.12 20.86 1wim s ALA 74 CO 0.25 -0.85 1.56 0.00 0.00 0.00 0.00 175.76 176.72 1wim h ALA 75 N -0.04 -0.70 -0.96 0.00 0.00 -1.97 0.35 119.26 115.95 1wim h ALA 75 Ca -0.42 -0.01 0.31 0.00 0.00 0.00 0.00 54.91 54.79 1wim h ALA 75 Cb 1.30 0.94 -0.18 0.00 0.00 0.00 0.00 17.79 19.85 1wim h ALA 75 CO 0.53 -1.00 0.19 -0.85 0.00 0.00 0.00 179.25 178.12 1wim n GLU 76 N -5.43 -0.07 -0.01 0.00 0.28 -1.26 -0.79 120.64 113.37 1wim n GLU 76 Ca -0.04 1.39 -0.01 0.00 -0.16 0.00 0.00 57.16 58.34 1wim n GLU 76 Cb 0.37 -2.31 -0.00 0.00 1.43 0.00 0.00 31.44 30.92 1wim n GLU 76 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1wim h ILE 77 N 0.00 0.00 -0.70 3.84 1.08 -1.48 -3.36 117.51 116.89 1wim h ILE 77 Ca 0.66 -0.61 0.16 0.00 -0.39 0.00 0.00 64.86 64.68 1wim h ILE 77 Cb 1.53 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 35.14 1wim h ILE 77 CO -0.84 0.00 -0.12 0.80 -0.69 0.00 0.00 178.15 177.30 1wim n MET 78 N -3.85 -0.06 -0.35 2.37 1.56 0.11 0.10 117.12 117.01 1wim n MET 78 Ca -0.01 1.08 0.07 0.00 -0.27 0.00 0.00 57.70 58.58 1wim n MET 78 Cb 0.02 -1.65 0.16 0.00 2.15 0.00 0.00 33.22 33.91 1wim n MET 78 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 1wim n GLN 79 N -5.09 -0.09 0.35 2.12 7.27 0.03 -0.54 117.38 121.43 1wim n GLN 79 Ca 0.13 1.50 -0.18 0.00 0.07 0.00 0.00 57.00 58.51 1wim n GLN 79 Cb 0.41 -2.26 -0.09 0.00 2.41 0.00 0.00 30.24 30.71 1wim n GLN 79 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wim h ARG 80 N 0.00 -0.98 -0.10 3.69 3.08 0.53 0.27 114.38 120.87 1wim h ARG 80 Ca 0.48 0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.64 1wim h ARG 80 Cb 0.79 0.22 -0.06 0.00 0.08 0.00 0.00 29.97 31.00 1wim h ARG 80 CO -0.98 -0.65 -0.36 -0.92 -1.07 0.00 0.00 179.97 175.99 1wim h TYR 81 N -1.01 -1.00 -0.88 3.04 3.20 -0.83 -0.57 116.97 118.92 1wim h TYR 81 Ca -0.07 0.04 0.08 0.00 3.14 0.00 0.00 58.73 61.92 1wim h TYR 81 Cb 0.84 0.46 -0.06 0.00 1.54 0.00 0.00 36.73 39.51 1wim h TYR 81 CO -0.15 -0.43 0.57 0.87 -1.64 0.00 0.00 178.16 177.38 1wim h LYS 82 N -0.45 0.89 -0.82 1.82 1.79 -0.74 -1.41 116.57 117.64 1wim h LYS 82 Ca 0.08 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1wim h LYS 82 Cb 0.58 -0.20 -0.04 0.00 -1.58 0.00 0.00 32.23 30.99 1wim h LYS 82 CO -0.35 0.59 0.49 -0.22 -1.08 0.00 0.00 179.45 178.88 1wim h LYS 83 N 0.92 1.12 0.75 3.15 3.64 0.94 0.14 116.57 127.22 1wim h LYS 83 Ca 0.39 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.63 1wim h LYS 83 Cb 0.32 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1wim h LYS 83 CO -0.16 0.79 -0.36 -0.07 -2.27 0.00 0.00 179.45 177.39 1wim h LEU 84 N 1.13 -0.85 0.53 5.20 3.38 -0.06 -2.74 115.31 121.91 1wim h LEU 84 Ca 0.29 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 1wim h LEU 84 Cb -0.04 0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1wim h LEU 84 CO -0.05 -0.59 -0.26 1.56 0.09 0.00 0.00 178.44 179.19 1wim h GLN 85 N -1.04 -0.69 -0.85 1.13 1.08 -1.38 -2.55 115.11 110.81 1wim h GLN 85 Ca -0.10 0.05 0.11 0.00 -1.45 0.00 0.00 58.65 57.25 1wim h GLN 85 Cb 0.78 0.16 -0.12 0.00 -0.05 0.00 0.00 27.48 28.24 1wim h GLN 85 CO 0.17 -0.46 -0.40 0.34 -0.95 0.00 0.00 178.83 177.53 1wim n PHE 86 N -5.40 -0.13 0.11 2.96 7.35 0.47 0.48 117.46 123.30 1wim n PHE 86 Ca -0.12 1.05 -0.12 0.00 -0.76 0.00 0.00 57.45 57.49 1wim n PHE 86 Cb 0.30 -0.72 -0.06 0.00 0.35 0.00 0.00 39.48 39.35 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 -0.31 -1.57 -4.13 4.39 -1.39 -2.59 114.58 108.97 1wim h GLU 87 Ca 0.23 0.02 -0.52 0.00 0.34 0.00 0.00 59.36 59.43 1wim h GLU 87 Cb 0.44 0.07 -0.21 0.00 -0.10 0.00 0.00 28.75 28.96 1wim h GLU 87 CO -0.82 -0.21 0.62 0.54 -1.16 0.00 0.00 179.01 177.98 1wim n ARG 88 N -5.29 2.32 -1.35 2.33 1.74 0.10 -4.58 116.66 111.95 1wim n ARG 88 Ca -0.07 -2.49 -0.34 0.00 -0.77 0.00 0.00 57.85 54.18 1wim n ARG 88 Cb 0.20 -2.02 0.08 0.00 -1.02 0.00 0.00 32.46 29.71 1wim n ARG 88 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wim n SER 89 N 0.02 7.56 0.00 0.55 2.88 0.18 -4.87 113.62 119.94 1wim n SER 89 Ca 0.47 -3.79 0.00 0.00 -1.33 0.00 0.00 58.87 54.22 1wim n SER 89 Cb 0.54 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 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 -0.92 -2.97 3.77 0.46 0.00 -1.26 -4.92 105.19 99.35 1wim n GLY 90 Ca 0.62 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1wim n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wim s PRO 91 N 0.00 2.57 -0.43 1.61 0.04 -1.26 -4.93 135.00 132.60 1wim s PRO 91 Ca 0.00 1.30 -0.28 0.00 0.04 0.00 0.00 61.00 62.06 1wim s PRO 91 Cb 0.00 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1wim s PRO 91 CO 0.00 -1.42 1.78 0.45 0.04 0.00 0.00 177.00 177.85 1wim s SER 92 N -2.91 5.73 0.30 6.66 0.15 -1.26 -4.86 113.70 117.52 1wim s SER 92 Ca 0.65 0.94 0.03 0.00 0.70 0.00 0.00 55.95 58.27 1wim s SER 92 Cb -0.19 -2.53 0.77 0.00 -1.71 0.00 0.00 66.02 62.36 1wim s SER 92 CO 0.47 -1.90 1.60 -1.28 1.20 0.00 0.00 173.24 173.33 1wim h SER 93 N 13.35 -0.26 0.00 5.45 0.87 -1.99 -3.56 113.55 127.41 1wim h SER 93 Ca -0.30 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1wim h SER 93 Cb 1.16 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 63.51 1wim h SER 93 CO 1.10 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 177.71