#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wim h SER 2 N 0.00 -0.41 -0.56 1.61 0.87 -2.01 -2.82 113.55 110.23 1wim h SER 2 Ca 0.00 0.04 0.11 0.00 -1.23 0.00 0.00 61.79 60.71 1wim h SER 2 Cb 0.00 0.15 -0.11 0.00 -0.44 0.00 0.00 62.40 62.00 1wim h SER 2 CO 0.00 -0.23 -0.20 0.28 -0.53 0.00 0.00 176.83 176.15 1wim h SER 3 N -0.33 -0.70 0.00 6.23 0.02 -2.06 -3.47 113.55 113.24 1wim h SER 3 Ca 0.01 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1wim h SER 3 Cb 0.32 0.41 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1wim h SER 3 CO -0.05 -0.23 0.00 0.61 -1.14 0.00 0.00 176.83 176.02 1wim n GLY 4 N -1.42 -1.97 3.05 -3.77 0.00 -1.07 -5.14 105.19 94.87 1wim n GLY 4 Ca 0.06 0.67 -0.37 0.00 0.00 0.00 0.00 46.02 46.38 1wim n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wim n SER 5 N 0.00 -3.34 -0.00 1.61 7.64 -1.26 -4.71 113.62 113.55 1wim n SER 5 Ca 0.00 0.63 0.11 0.00 1.01 0.00 0.00 58.87 60.62 1wim n SER 5 Cb 0.00 -0.80 -0.15 0.00 -1.01 0.00 0.00 64.21 62.25 1wim n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wim n SER 6 N 2.32 0.32 0.00 6.43 2.88 -1.24 -4.44 113.62 119.89 1wim n SER 6 Ca 0.08 -0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 1wim n SER 6 Cb 0.43 1.66 0.00 0.00 -0.75 0.00 0.00 64.21 65.55 1wim n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wim n GLY 7 N 1.33 -1.81 3.95 0.46 0.00 -1.26 -4.84 105.19 103.02 1wim n GLY 7 Ca -0.01 -1.15 -0.24 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.39 0.77 0.00 0.00 5.02 -1.26 -3.77 118.16 116.53 1wim n LYS 9 Ca 0.05 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1wim n LYS 9 Cb 0.59 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 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 -2.95 0.83 0.15 -0.35 4.77 -1.26 -4.19 117.00 113.99 1wim n LEU 10 Ca -0.34 0.39 0.13 0.00 -0.03 0.00 0.00 56.01 56.17 1wim n LEU 10 Cb 0.93 -0.35 0.49 0.00 -2.33 0.00 0.00 43.42 42.17 1wim n LEU 10 CO 0.25 -0.35 0.88 0.00 -1.33 0.00 0.00 177.39 176.84 1wim n LEU 12 N -2.43 -2.73 0.00 0.00 4.77 -1.25 -4.98 117.00 110.38 1wim n LEU 12 Ca 0.03 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 1wim n LEU 12 Cb 0.30 -2.56 0.00 0.00 -2.33 0.00 0.00 43.42 38.82 1wim n LEU 12 CO 0.24 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1wim n GLY 13 N -1.66 2.70 2.66 -0.72 0.00 -1.26 -4.75 105.19 102.16 1wim n GLY 13 Ca -0.13 -2.05 -0.27 0.00 0.00 0.00 0.00 46.02 43.57 1wim n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wim s GLU 14 N 2.16 0.36 0.10 1.61 0.41 -1.26 -2.38 118.70 119.71 1wim s GLU 14 Ca 0.00 -0.35 0.06 0.00 -0.41 0.00 0.00 54.97 54.27 1wim s GLU 14 Cb 0.00 -1.87 -0.03 0.00 -1.78 0.00 0.00 34.13 30.45 1wim s GLU 14 CO 0.00 -0.73 -0.16 0.71 -0.49 0.00 0.00 175.26 174.60 1wim s TYR 15 N 1.98 1.44 -0.05 1.61 1.51 -1.26 -4.99 117.35 117.60 1wim s TYR 15 Ca 0.02 -0.49 -0.30 0.00 -1.01 0.00 0.00 57.07 55.29 1wim s TYR 15 Cb -0.17 -0.78 -0.05 0.00 -0.11 0.00 0.00 41.96 40.86 1wim s TYR 15 CO -0.13 0.14 1.48 -1.25 -1.11 0.00 0.00 175.55 174.68 1wim s PRO 16 N -2.23 4.23 0.29 -1.71 0.04 -1.26 -3.67 135.00 130.69 1wim s PRO 16 Ca 0.05 2.01 0.15 0.00 0.04 0.00 0.00 61.00 63.25 1wim s PRO 16 Cb -0.08 -3.76 1.01 0.00 0.04 0.00 0.00 34.50 31.72 1wim s PRO 16 CO 0.03 -0.71 1.24 1.33 0.04 0.00 0.00 177.00 178.93 1wim n VAL 17 N 5.10 -0.33 -0.21 -0.36 0.24 -1.26 0.11 118.33 121.62 1wim n VAL 17 Ca 0.15 1.60 -0.01 0.00 -2.04 0.00 0.00 64.34 64.04 1wim n VAL 17 Cb 0.43 -2.58 0.06 0.00 -1.47 0.00 0.00 33.84 30.28 1wim n VAL 17 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1wim h GLU 18 N 0.00 -0.00 -0.09 7.34 4.57 -1.99 -1.39 114.58 123.01 1wim h GLU 18 Ca 0.65 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.61 1wim h GLU 18 Cb 1.69 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.29 1wim h GLU 18 CO -0.62 -0.00 -0.80 1.96 -1.18 0.00 0.00 179.01 178.37 1wim h GLN 19 N -0.00 0.70 -6.90 1.92 4.20 0.37 -3.46 115.11 111.94 1wim h GLN 19 Ca 0.29 -0.63 -0.45 0.00 0.06 0.00 0.00 58.65 57.92 1wim h GLN 19 Cb 0.45 0.15 0.23 0.00 0.30 0.00 0.00 27.48 28.61 1wim h GLN 19 CO -0.64 1.24 -0.53 -1.33 -0.67 0.00 0.00 178.83 176.90 1wim n MET 20 N -3.98 -1.96 -3.90 1.46 2.81 -0.52 -4.49 117.12 106.53 1wim n MET 20 Ca -0.09 -0.55 -0.28 0.00 -1.81 0.00 0.00 57.70 54.97 1wim n MET 20 Cb 0.76 -1.94 -0.16 0.00 -0.71 0.00 0.00 33.22 31.16 1wim n MET 20 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1wim s THR 21 N -2.33 1.14 -0.15 2.03 2.01 -1.06 -4.90 115.64 112.38 1wim s THR 21 Ca 0.62 -0.64 -0.23 0.00 0.31 0.00 0.00 61.69 61.76 1wim s THR 21 Cb -0.19 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 1wim s THR 21 CO 0.66 0.14 0.71 -0.89 -0.69 0.00 0.00 174.62 174.55 1wim s THR 22 N 1.62 4.99 -0.04 -0.82 2.01 -1.26 -2.65 115.64 119.49 1wim s THR 22 Ca 0.01 1.39 -0.30 0.00 0.31 0.00 0.00 61.69 63.10 1wim s THR 22 Cb -0.15 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 1wim s THR 22 CO -0.08 0.13 1.10 -0.63 -0.69 0.00 0.00 174.62 174.46 1wim s ILE 23 N 1.60 4.48 -0.56 1.82 1.01 0.65 -4.91 121.20 125.30 1wim s ILE 23 Ca 0.34 1.78 0.02 0.00 0.00 0.00 0.00 60.65 62.80 1wim s ILE 23 Cb -0.17 -4.14 0.18 0.00 0.01 0.00 0.00 42.46 38.34 1wim s ILE 23 CO 0.13 0.05 0.95 0.00 0.00 0.00 0.00 174.94 176.08 1wim n ALA 24 N 4.65 2.98 -0.02 9.38 0.00 -1.26 -1.92 120.51 134.33 1wim n ALA 24 Ca 0.09 -0.54 -0.03 0.00 0.00 0.00 0.00 53.44 52.96 1wim n ALA 24 Cb 0.48 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 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 0.13 0.08 -1.43 0.00 1.13 -1.26 -4.83 117.38 111.19 1wim n GLN 25 Ca 0.09 0.03 0.01 0.00 -1.94 0.00 0.00 57.00 55.19 1wim n GLN 25 Cb 0.59 -0.76 0.09 0.00 0.11 0.00 0.00 30.24 30.27 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 -0.35 -0.92 -4.53 0.00 1.13 -0.81 -4.88 117.38 107.02 1wim n GLN 27 Ca 0.15 0.07 -0.33 0.00 -1.94 0.00 0.00 57.00 54.95 1wim n GLN 27 Cb 0.92 -2.80 -0.13 0.00 0.11 0.00 0.00 30.24 28.34 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 0.33 5.05 -0.19 0.00 2.07 -1.26 -0.25 121.20 126.95 1wim s ILE 29 Ca -0.06 -0.15 -0.13 0.00 -1.41 0.00 0.00 60.65 58.90 1wim s ILE 29 Cb -0.15 -3.27 0.06 0.00 0.13 0.00 0.00 42.46 39.23 1wim s ILE 29 CO 0.04 0.46 0.46 -0.36 -1.91 0.00 0.00 174.94 173.63 1wim s PHE 30 N -1.13 -0.63 0.13 3.50 0.08 -1.08 -4.79 117.98 114.06 1wim s PHE 30 Ca 0.20 1.38 -0.32 0.00 0.12 0.00 0.00 56.93 58.32 1wim s PHE 30 Cb -0.12 0.28 -0.11 0.00 -0.57 0.00 0.00 43.02 42.50 1wim s PHE 30 CO 0.11 -0.33 1.81 0.00 -0.10 0.00 0.00 175.22 176.71 1wim n THR 32 N 4.55 -0.26 -0.07 0.00 -1.04 -1.26 -0.52 114.28 115.67 1wim n THR 32 Ca 0.18 1.42 -0.02 0.00 -2.04 0.00 0.00 64.05 63.59 1wim n THR 32 Cb 0.36 -1.97 -0.02 0.00 -1.82 0.00 0.00 70.33 66.88 1wim n THR 32 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1wim h LEU 33 N 0.00 -0.39 0.06 -4.42 3.38 -1.96 0.76 115.31 112.75 1wim h LEU 33 Ca 0.30 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.32 1wim h LEU 33 Cb 0.45 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1wim h LEU 33 CO -0.64 -0.04 -0.03 0.00 0.09 0.00 0.00 178.44 177.82 1wim n LEU 35 N -2.26 0.09 0.15 0.00 0.00 -0.78 0.33 117.00 114.53 1wim n LEU 35 Ca -0.01 0.96 -0.07 0.00 0.00 0.00 0.00 56.01 56.89 1wim n LEU 35 Cb 0.03 -0.47 -0.03 0.00 0.00 0.00 0.00 43.42 42.95 1wim n LEU 35 CO 0.03 -1.01 0.20 0.50 0.00 0.00 0.00 177.39 177.10 1wim h LYS 36 N 0.00 -0.44 -0.44 1.96 3.64 0.75 -3.11 116.57 118.93 1wim h LYS 36 Ca 0.72 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 60.18 1wim h LYS 36 Cb 2.59 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 34.47 1wim h LYS 36 CO -0.21 -0.29 0.18 1.96 -2.27 0.00 0.00 179.45 178.82 1wim h GLN 37 N -1.02 0.36 -0.10 1.90 4.20 0.67 -2.07 115.11 119.05 1wim h GLN 37 Ca -0.05 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.65 1wim h GLN 37 Cb 0.35 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1wim h GLN 37 CO 0.08 0.24 -0.13 -0.92 -0.67 0.00 0.00 178.83 177.42 1wim h TYR 38 N 0.37 -0.40 -0.77 2.96 3.20 -0.63 0.40 116.97 122.09 1wim h TYR 38 Ca 0.20 0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.29 1wim h TYR 38 Cb 0.17 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.59 1wim h TYR 38 CO -0.14 -0.11 0.54 -0.39 -1.64 0.00 0.00 178.16 176.42 1wim h VAL 39 N -0.09 0.67 0.48 1.81 -1.51 -1.46 -2.21 116.25 113.93 1wim h VAL 39 Ca 0.02 -0.05 -0.02 0.00 -1.23 0.00 0.00 66.70 65.42 1wim h VAL 39 Cb 0.13 0.51 0.00 0.00 -2.13 0.00 0.00 31.29 29.81 1wim h VAL 39 CO -0.14 0.03 -0.23 -0.33 -1.23 0.00 0.00 177.57 175.67 1wim h GLU 40 N 0.14 -0.61 -0.98 5.19 5.08 -0.05 -1.90 114.58 121.45 1wim h GLU 40 Ca 0.38 0.04 0.28 0.00 -1.00 0.00 0.00 59.36 59.06 1wim h GLU 40 Cb 1.27 0.14 -0.14 0.00 0.50 0.00 0.00 28.75 30.52 1wim h GLU 40 CO -0.06 -0.41 0.52 -0.07 -1.00 0.00 0.00 179.01 177.99 1wim h LEU 41 N -0.86 0.48 0.86 1.33 -0.00 0.09 -1.12 115.31 116.09 1wim h LEU 41 Ca -0.07 0.17 -0.04 0.00 -0.00 0.00 0.00 57.88 57.95 1wim h LEU 41 Cb 0.49 0.13 0.01 0.00 -0.00 0.00 0.00 40.66 41.28 1wim h LEU 41 CO 0.11 -0.06 -0.42 -0.07 -0.00 0.00 0.00 178.44 178.00 1wim h LEU 42 N 0.38 -0.98 -0.83 1.67 3.38 -1.40 -3.10 115.31 114.43 1wim h LEU 42 Ca 0.67 0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.88 1wim h LEU 42 Cb 1.43 0.25 -0.15 0.00 0.09 0.00 0.00 40.66 42.29 1wim h LEU 42 CO -0.57 -0.63 0.03 0.40 0.09 0.00 0.00 178.44 177.76 1wim h ILE 43 N -1.29 0.26 -1.03 1.22 2.04 -0.39 0.46 117.51 118.78 1wim h ILE 43 Ca -0.12 -0.03 0.28 0.00 1.00 0.00 0.00 64.86 65.99 1wim h ILE 43 Cb 0.89 0.15 -0.13 0.00 -0.74 0.00 0.00 36.82 37.00 1wim h ILE 43 CO 0.19 0.02 0.62 0.11 0.00 0.00 0.00 178.15 179.09 1wim h LYS 44 N 0.10 0.43 0.00 2.37 1.79 -1.24 -2.62 116.57 117.40 1wim h LYS 44 Ca 0.47 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 1wim h LYS 44 Cb 0.88 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 1wim h LYS 44 CO -0.73 0.28 0.00 -1.91 -1.08 0.00 0.00 179.45 176.02 1wim n GLU 45 N -4.87 0.00 -1.40 3.15 4.07 0.16 -4.99 120.64 116.77 1wim n GLU 45 Ca 0.29 0.44 0.00 0.00 -0.06 0.00 0.00 57.16 57.83 1wim n GLU 45 Cb 0.88 -1.39 0.00 0.00 -0.06 0.00 0.00 31.44 30.87 1wim n GLU 45 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1wim n GLY 46 N -0.62 0.66 0.00 8.31 0.00 -0.99 -5.00 105.19 107.55 1wim n GLY 46 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1wim n GLY 46 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1wim n LEU 47 N -0.51 0.00 0.02 0.99 -0.00 -1.26 -4.78 117.00 111.46 1wim n LEU 47 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.97 1wim n LEU 47 Cb 0.32 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.64 1wim n LEU 47 CO 0.00 0.00 -0.31 -0.33 -0.00 0.00 0.00 177.39 176.75 1wim h GLU 48 N 0.00 0.00 -3.46 1.47 4.39 -1.94 -3.48 114.58 111.56 1wim h GLU 48 Ca 0.00 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.40 1wim h GLU 48 Cb 0.56 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1wim h GLU 48 CO 0.00 0.42 -0.38 2.41 -1.16 0.00 0.00 179.01 180.30 1wim n THR 49 N -3.00 -0.68 -3.62 1.13 -1.04 -1.26 -4.91 114.28 100.91 1wim n THR 49 Ca -0.11 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.79 1wim n THR 49 Cb 0.92 -2.10 -0.07 0.00 -1.82 0.00 0.00 70.33 67.27 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 -2.72 -1.91 -0.88 2.41 0.00 -1.26 -4.82 121.76 112.58 1wim s ALA 50 Ca 0.00 1.81 -0.14 0.00 0.00 0.00 0.00 51.96 53.63 1wim s ALA 50 Cb 0.00 -1.13 0.22 0.00 0.00 0.00 0.00 23.12 22.21 1wim s ALA 50 CO 0.00 -0.28 0.84 0.42 0.00 0.00 0.00 175.76 176.74 1wim s ILE 51 N -0.10 5.61 0.50 0.00 -1.09 -1.26 -4.99 121.20 119.86 1wim s ILE 51 Ca 0.00 -2.54 -0.08 0.00 -2.23 0.00 0.00 60.65 55.80 1wim s ILE 51 Cb -0.04 -4.51 0.12 0.00 -1.58 0.00 0.00 42.46 36.45 1wim s ILE 51 CO -0.02 -1.09 0.59 -1.54 -1.23 0.00 0.00 174.94 171.66 1wim n SER 52 N 3.98 -0.44 -4.74 3.58 3.41 -1.26 -0.90 113.62 117.26 1wim n SER 52 Ca 0.16 -1.10 -0.41 0.00 -0.26 0.00 0.00 58.87 57.26 1wim n SER 52 Cb 0.46 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 63.90 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 2.48 0.49 -3.82 0.00 -0.04 -1.26 -4.70 135.00 128.15 1wim n PRO 54 Ca 0.05 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.14 1wim n PRO 54 Cb 0.44 -1.40 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.91 6.38 0.03 3.54 2.15 -1.26 -4.99 116.67 120.61 1wim s ASP 55 Ca 0.19 0.45 0.17 0.00 0.43 0.00 0.00 52.55 53.79 1wim s ASP 55 Cb 0.09 -2.09 -0.16 0.00 -0.30 0.00 0.00 42.92 40.46 1wim s ASP 55 CO 0.15 0.35 0.74 0.00 -0.17 0.00 0.00 175.17 176.24 1wim n ALA 56 N 2.30 1.95 -1.30 3.66 0.00 -1.26 -4.10 120.51 121.77 1wim n ALA 56 Ca -0.19 -0.60 -0.30 0.00 0.00 0.00 0.00 53.44 52.35 1wim n ALA 56 Cb 0.54 -0.88 0.12 0.00 0.00 0.00 0.00 19.45 19.23 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 -2.42 6.02 -2.57 0.00 0.00 -1.26 -4.94 120.51 115.35 1wim n ALA 57 Ca -0.11 -3.24 -0.41 0.00 0.00 0.00 0.00 53.44 49.67 1wim n ALA 57 Cb 0.85 -1.62 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 1wim n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wim h PRO 59 N 8.43 0.00 0.15 0.00 0.13 -1.96 -3.11 132.00 135.64 1wim h PRO 59 Ca -0.27 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.52 1wim h PRO 59 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1wim h PRO 59 CO 0.80 0.23 -1.70 -0.22 -0.23 0.00 0.00 178.00 176.89 1wim h LYS 60 N 0.00 0.32 -5.71 0.86 1.63 -1.94 -3.48 116.57 108.25 1wim h LYS 60 Ca -0.00 -0.55 -0.34 0.00 -0.85 0.00 0.00 60.65 58.90 1wim h LYS 60 Cb 0.67 0.21 0.15 0.00 -0.60 0.00 0.00 32.23 32.66 1wim h LYS 60 CO 0.03 1.21 -0.78 1.04 -3.45 0.00 0.00 179.45 177.50 1wim n GLN 61 N -3.52 -6.29 -0.06 1.90 6.02 -1.18 -5.01 117.38 109.26 1wim n GLN 61 Ca -0.22 0.82 0.00 0.00 -0.01 0.00 0.00 57.00 57.58 1wim n GLN 61 Cb 1.06 -5.76 0.00 0.00 1.02 0.00 0.00 30.24 26.56 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 -1.20 -0.95 3.31 1.08 0.00 -1.26 -4.80 105.19 101.37 1wim n GLY 62 Ca -0.29 -1.70 -0.18 0.00 0.00 0.00 0.00 46.02 43.86 1wim n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wim s HIS 63 N -0.86 1.58 -0.09 1.61 0.09 -1.26 -0.81 115.29 115.55 1wim s HIS 63 Ca 0.00 -1.57 -0.11 0.00 -0.00 0.00 0.00 55.06 53.37 1wim s HIS 63 Cb 0.00 -0.59 -0.05 0.00 -0.00 0.00 0.00 32.58 31.94 1wim s HIS 63 CO 0.00 -0.89 0.27 -0.51 -0.00 0.00 0.00 174.74 173.61 1wim s LEU 64 N -3.33 4.39 0.28 0.89 2.01 -0.08 -4.43 118.68 118.41 1wim s LEU 64 Ca 0.39 0.66 -0.29 0.00 0.01 0.00 0.00 54.13 54.89 1wim s LEU 64 Cb 0.02 -2.33 -0.10 0.00 0.01 0.00 0.00 46.19 43.80 1wim s LEU 64 CO 0.25 0.30 1.22 -1.10 1.01 0.00 0.00 176.35 178.04 1wim s GLN 65 N -0.68 4.47 0.21 1.70 1.11 -1.26 -4.83 119.66 120.38 1wim s GLN 65 Ca 0.18 2.02 -0.18 0.00 0.01 0.00 0.00 55.36 57.39 1wim s GLN 65 Cb -0.14 -3.15 0.20 0.00 -1.01 0.00 0.00 33.01 28.91 1wim s GLN 65 CO 0.07 -0.05 1.58 1.49 0.01 0.00 0.00 175.29 178.40 1wim h GLU 66 N 4.00 -0.09 -0.75 2.91 4.22 -1.99 0.58 114.58 123.46 1wim h GLU 66 Ca -0.47 0.01 0.14 0.00 0.08 0.00 0.00 59.36 59.12 1wim h GLU 66 Cb 1.22 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 30.35 1wim h GLU 66 CO 0.69 -0.06 -0.23 -0.91 -2.18 0.00 0.00 179.01 176.31 1wim h ASN 67 N -0.09 -0.85 0.14 1.04 2.35 -2.00 0.67 115.58 116.84 1wim h ASN 67 Ca 0.29 0.24 0.02 0.00 -0.55 0.00 0.00 56.30 56.29 1wim h ASN 67 Cb 0.57 0.52 -0.05 0.00 0.05 0.00 0.00 38.32 39.40 1wim h ASN 67 CO -0.77 -0.27 -0.47 -0.33 -1.65 0.00 0.00 177.43 173.94 1wim h GLU 68 N -0.03 -0.69 0.11 0.81 4.39 -1.26 -2.74 114.58 115.16 1wim h GLU 68 Ca 0.34 0.05 0.02 0.00 0.34 0.00 0.00 59.36 60.11 1wim h GLU 68 Cb 0.56 0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 29.33 1wim h GLU 68 CO -0.78 -0.46 -0.40 0.82 -1.16 0.00 0.00 179.01 177.03 1wim h ILE 69 N -0.72 0.19 -0.74 3.13 2.04 -0.91 0.23 117.51 120.73 1wim h ILE 69 Ca 0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 1wim h ILE 69 Cb 0.73 0.19 -0.09 0.00 -0.74 0.00 0.00 36.82 36.90 1wim h ILE 69 CO -0.26 0.00 -0.41 1.21 0.00 0.00 0.00 178.15 178.70 1wim n GLU 70 N -5.45 -0.29 -0.07 2.37 0.00 0.11 0.09 120.64 117.39 1wim n GLU 70 Ca -0.07 1.12 -0.13 0.00 0.00 0.00 0.00 57.16 58.08 1wim n GLU 70 Cb 0.37 -1.65 -0.06 0.00 0.00 0.00 0.00 31.44 30.10 1wim n GLU 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1wim h MET 72 N 0.11 -0.39 -5.92 0.00 1.85 0.31 -3.40 114.93 107.49 1wim h MET 72 Ca 0.03 0.03 -0.62 0.00 -0.61 0.00 0.00 59.70 58.53 1wim h MET 72 Cb 0.69 0.09 -0.06 0.00 0.43 0.00 0.00 31.60 32.75 1wim h MET 72 CO 0.04 -0.26 -0.27 0.14 -0.40 0.00 0.00 176.91 176.17 1wim s VAL 73 N -5.12 5.14 1.08 -5.77 -7.23 0.95 -5.06 120.40 104.39 1wim s VAL 73 Ca -0.12 0.70 -0.12 0.00 -1.81 0.00 0.00 61.98 60.63 1wim s VAL 73 Cb 0.06 -3.64 0.23 0.00 0.56 0.00 0.00 36.38 33.59 1wim s VAL 73 CO 0.48 0.58 1.06 0.00 -0.31 0.00 0.00 175.10 176.92 1wim s ALA 74 N -1.02 0.22 0.10 1.32 0.00 -1.26 -4.42 121.76 116.70 1wim s ALA 74 Ca 0.22 -0.06 -0.35 0.00 0.00 0.00 0.00 51.96 51.77 1wim s ALA 74 Cb -0.16 -3.25 -0.15 0.00 0.00 0.00 0.00 23.12 19.57 1wim s ALA 74 CO 0.11 -3.39 1.55 0.00 0.00 0.00 0.00 175.76 174.04 1wim h ALA 75 N -2.30 -1.00 -0.92 0.00 0.00 -1.96 0.30 119.26 113.38 1wim h ALA 75 Ca -0.57 -0.11 0.36 0.00 0.00 0.00 0.00 54.91 54.59 1wim h ALA 75 Cb 1.32 0.91 -0.17 0.00 0.00 0.00 0.00 17.79 19.85 1wim h ALA 75 CO 0.51 -1.13 0.39 -0.85 0.00 0.00 0.00 179.25 178.16 1wim n GLU 76 N -5.47 -0.06 -0.03 0.00 0.28 -1.26 -1.14 120.64 112.96 1wim n GLU 76 Ca -0.08 1.29 -0.00 0.00 -0.16 0.00 0.00 57.16 58.20 1wim n GLU 76 Cb 0.41 -2.26 -0.00 0.00 1.43 0.00 0.00 31.44 31.02 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 -1.57 -3.35 117.51 116.82 1wim h ILE 77 Ca 0.73 -0.75 0.24 0.00 -0.39 0.00 0.00 64.86 64.69 1wim h ILE 77 Cb 1.86 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 35.48 1wim h ILE 77 CO -0.74 0.00 0.18 0.80 -0.69 0.00 0.00 178.15 177.69 1wim n MET 78 N -4.13 -0.05 -0.19 2.37 1.56 0.94 0.15 117.12 117.78 1wim n MET 78 Ca -0.00 1.00 -0.02 0.00 -0.27 0.00 0.00 57.70 58.41 1wim n MET 78 Cb 0.01 -1.69 0.05 0.00 2.15 0.00 0.00 33.22 33.74 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 -0.01 -0.39 2.12 5.75 -1.26 -0.09 115.11 121.24 1wim h GLN 79 Ca 0.50 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 59.08 1wim h GLN 79 Cb 1.18 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 29.65 1wim h GLN 79 CO -0.60 -0.01 -0.22 0.00 -2.65 0.00 0.00 178.83 175.35 1wim h ARG 80 N -0.01 -0.15 0.60 1.69 3.08 0.13 0.99 114.38 120.71 1wim h ARG 80 Ca 0.27 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.30 1wim h ARG 80 Cb 0.43 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1wim h ARG 80 CO -0.59 -0.10 -0.30 -0.92 -1.07 0.00 0.00 179.97 176.98 1wim h TYR 81 N -0.16 -0.79 -1.01 3.04 3.20 -1.22 -2.57 116.97 117.45 1wim h TYR 81 Ca 0.19 -0.02 0.24 0.00 3.14 0.00 0.00 58.73 62.28 1wim h TYR 81 Cb 0.45 0.27 -0.11 0.00 1.54 0.00 0.00 36.73 38.88 1wim h TYR 81 CO -0.45 -0.49 0.63 0.87 -1.64 0.00 0.00 178.16 177.09 1wim h LYS 82 N -0.83 0.52 -0.99 1.82 1.57 -0.62 0.23 116.57 118.27 1wim h LYS 82 Ca -0.08 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1wim h LYS 82 Cb 0.64 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.78 1wim h LYS 82 CO 0.13 0.34 0.65 -0.22 -0.57 0.00 0.00 179.45 179.78 1wim h LYS 83 N 0.54 1.20 -0.69 3.15 1.63 -0.41 -0.63 116.57 121.35 1wim h LYS 83 Ca 0.60 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 60.31 1wim h LYS 83 Cb 1.27 -0.27 -0.03 0.00 -0.60 0.00 0.00 32.23 32.60 1wim h LYS 83 CO -0.37 0.80 0.33 -0.07 -3.45 0.00 0.00 179.45 176.69 1wim h LEU 84 N 1.24 0.91 -0.24 5.20 3.38 -0.34 -1.94 115.31 123.52 1wim h LEU 84 Ca 0.40 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 1wim h LEU 84 Cb 0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1wim h LEU 84 CO -0.13 0.79 -0.03 1.56 0.09 0.00 0.00 178.44 180.71 1wim h GLN 85 N 0.97 0.44 -0.52 1.13 1.08 -1.13 -3.14 115.11 113.94 1wim h GLN 85 Ca 0.24 -0.16 0.07 0.00 -1.45 0.00 0.00 58.65 57.35 1wim h GLN 85 Cb 0.12 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.46 1wim h GLN 85 CO -0.03 0.65 0.21 0.35 -0.95 0.00 0.00 178.83 179.05 1wim h PHE 86 N 0.19 0.37 -0.64 2.96 3.57 -0.97 -2.64 116.94 119.77 1wim h PHE 86 Ca 0.06 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.69 1wim h PHE 86 Cb 0.47 -0.09 -0.12 0.00 2.79 0.00 0.00 35.95 39.01 1wim h PHE 86 CO 0.04 0.14 -0.39 0.93 -2.23 0.00 0.00 178.31 176.80 1wim h GLU 87 N 0.40 -0.16 -3.49 1.11 5.08 -1.30 -3.02 114.58 113.19 1wim h GLU 87 Ca 0.25 0.01 -0.76 0.00 -1.00 0.00 0.00 59.36 57.85 1wim h GLU 87 Cb 0.24 0.04 -0.31 0.00 0.50 0.00 0.00 28.75 29.22 1wim h GLU 87 CO -0.23 -0.11 0.23 1.03 -1.00 0.00 0.00 179.01 178.93 1wim s ARG 88 N -5.90 3.83 -0.21 2.33 3.00 -1.00 -4.98 118.95 116.03 1wim s ARG 88 Ca -0.14 -3.20 -0.30 0.00 0.00 0.00 0.00 55.73 52.09 1wim s ARG 88 Cb 0.15 -4.33 0.15 0.00 0.00 0.00 0.00 34.95 30.92 1wim s ARG 88 CO 0.68 -1.25 1.14 -1.12 0.00 0.00 0.00 175.30 174.75 1wim s SER 89 N 0.83 -0.23 0.00 0.23 0.01 -1.14 -4.91 113.70 108.49 1wim s SER 89 Ca 0.29 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.78 1wim s SER 89 Cb -0.09 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1wim s SER 89 CO -0.10 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1wim n GLY 90 N 0.58 0.10 0.23 3.44 0.00 -1.26 -4.99 105.19 103.29 1wim n GLY 90 Ca -0.06 0.18 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 1wim n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wim h PRO 91 N 0.00 0.57 -6.70 1.61 0.13 -2.01 -3.46 132.00 122.15 1wim h PRO 91 Ca 0.00 -0.31 -0.55 0.00 -0.87 0.00 0.00 66.00 64.28 1wim h PRO 91 Cb 0.00 0.01 0.20 0.00 0.13 0.00 0.00 31.00 31.34 1wim h PRO 91 CO 0.00 0.90 -0.53 0.43 -0.23 0.00 0.00 178.00 178.56 1wim n SER 92 N -4.02 -1.80 -4.68 1.44 7.64 -1.26 -4.87 113.62 106.08 1wim n SER 92 Ca -0.02 0.45 -0.40 0.00 1.01 0.00 0.00 58.87 59.91 1wim n SER 92 Cb 0.53 -1.20 0.03 0.00 -1.01 0.00 0.00 64.21 62.56 1wim n SER 92 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wim n SER 93 N -0.66 2.10 0.00 6.43 7.64 -1.26 -5.11 113.62 122.76 1wim n SER 93 Ca 0.08 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1wim n SER 93 Cb 0.52 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 1wim n SER 93 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64