#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wmi h ASP 8 N 0.00 0.56 0.12 1.61 3.58 -2.05 0.72 116.42 120.95 1wmi h ASP 8 Ca 0.00 -0.11 -0.20 0.00 0.42 0.00 0.00 57.03 57.14 1wmi h ASP 8 Cb 0.00 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 40.90 1wmi h ASP 8 CO 0.00 0.63 -0.75 0.58 -2.88 0.00 0.00 179.24 176.81 1wmi h VAL 9 N 0.56 1.34 0.08 2.25 2.07 -2.05 -2.89 116.25 117.62 1wmi h VAL 9 Ca 0.12 -2.09 -0.26 0.00 0.82 0.00 0.00 66.70 65.29 1wmi h VAL 9 Cb 0.36 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1wmi h VAL 9 CO 0.01 0.64 -1.13 -0.07 0.02 0.00 0.00 177.57 177.04 1wmi h LEU 10 N 0.37 0.46 -1.11 2.57 -0.00 -1.92 -2.40 115.31 113.28 1wmi h LEU 10 Ca -0.04 -0.45 -0.09 0.00 -0.00 0.00 0.00 57.88 57.31 1wmi h LEU 10 Cb 1.35 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.85 1wmi h LEU 10 CO 0.14 1.30 -0.35 0.50 -0.00 0.00 0.00 178.44 180.03 1wmi h LYS 11 N 0.13 0.17 -0.40 1.13 3.64 -0.93 0.11 116.57 120.42 1wmi h LYS 11 Ca -0.11 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.08 1wmi h LYS 11 Cb 1.82 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.63 1wmi h LYS 11 CO 0.19 0.50 -0.22 0.93 -2.27 0.00 0.00 179.45 178.58 1wmi h GLU 12 N 0.15 0.85 -0.75 1.90 4.39 -1.48 0.08 114.58 119.73 1wmi h GLU 12 Ca 0.02 -0.39 -0.02 0.00 0.34 0.00 0.00 59.36 59.31 1wmi h GLU 12 Cb 0.69 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.29 1wmi h GLU 12 CO 0.05 1.03 0.37 -0.07 -1.16 0.00 0.00 179.01 179.23 1wmi h LEU 13 N 0.67 0.96 -0.62 1.33 4.07 -0.83 0.46 115.31 121.35 1wmi h LEU 13 Ca 0.09 -0.12 -0.12 0.00 0.08 0.00 0.00 57.88 57.80 1wmi h LEU 13 Cb 0.78 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 1wmi h LEU 13 CO 0.06 0.81 -0.23 -0.33 -1.08 0.00 0.00 178.44 177.68 1wmi h GLU 14 N 1.04 0.85 -0.01 1.13 4.39 -0.68 -1.97 114.58 119.33 1wmi h GLU 14 Ca 0.26 -0.35 0.01 0.00 0.34 0.00 0.00 59.36 59.62 1wmi h GLU 14 Cb 0.09 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1wmi h GLU 14 CO -0.04 0.99 -0.05 -0.09 -1.16 0.00 0.00 179.01 178.66 1wmi h ARG 15 N 0.74 -0.09 -0.66 2.33 2.43 -0.35 -1.08 114.38 117.69 1wmi h ARG 15 Ca 0.10 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.32 1wmi h ARG 15 Cb 0.76 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.28 1wmi h ARG 15 CO 0.06 -0.06 0.39 -0.07 -1.51 0.00 0.00 179.97 178.78 1wmi h LEU 16 N -0.09 0.61 -0.69 3.80 3.38 -0.81 -1.55 115.31 119.97 1wmi h LEU 16 Ca 0.03 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1wmi h LEU 16 Cb 0.13 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1wmi h LEU 16 CO -0.07 0.41 0.42 0.50 0.09 0.00 0.00 178.44 179.79 1wmi h LYS 17 N 0.74 0.79 0.33 1.13 3.64 -0.89 -1.15 116.57 121.17 1wmi h LYS 17 Ca 0.28 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1wmi h LYS 17 Cb 0.11 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1wmi h LYS 17 CO -0.14 0.52 -0.16 0.28 -2.27 0.00 0.00 179.45 177.68 1wmi h VAL 18 N 0.81 0.68 -0.88 2.00 2.07 -0.53 -1.42 116.25 118.99 1wmi h VAL 18 Ca 0.29 -0.11 0.12 0.00 0.82 0.00 0.00 66.70 67.81 1wmi h VAL 18 Cb 0.07 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 30.50 1wmi h VAL 18 CO -0.13 0.02 0.50 -0.33 0.02 0.00 0.00 177.57 177.66 1wmi h GLU 19 N -0.51 0.76 -0.53 1.57 4.39 -1.05 0.98 114.58 120.19 1wmi h GLU 19 Ca -0.05 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 1wmi h GLU 19 Cb 0.38 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1wmi h GLU 19 CO 0.08 0.50 0.14 0.82 -1.16 0.00 0.00 179.01 179.39 1wmi h ILE 20 N 0.78 1.24 -0.41 3.13 2.04 -1.02 -1.70 117.51 121.57 1wmi h ILE 20 Ca 0.45 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 1wmi h ILE 20 Cb 0.51 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1wmi h ILE 20 CO -0.29 0.31 0.12 1.56 0.00 0.00 0.00 178.15 179.85 1wmi h GLN 21 N 0.74 0.65 0.00 2.37 4.20 -0.08 -2.31 115.11 120.68 1wmi h GLN 21 Ca 0.17 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1wmi h GLN 21 Cb 0.31 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1wmi h GLN 21 CO -0.00 0.65 -0.00 0.07 -0.67 0.00 0.00 178.83 178.87 1wmi h ARG 22 N 0.53 0.00 0.03 1.46 0.11 -0.73 -1.83 114.38 113.95 1wmi h ARG 22 Ca 0.13 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.21 1wmi h ARG 22 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 1wmi h ARG 22 CO -0.00 0.00 -0.02 1.25 0.10 0.00 0.00 179.97 181.31 1wmi h LEU 23 N 0.00 -0.04 -1.47 0.08 6.46 -0.77 -1.51 115.31 118.07 1wmi h LEU 23 Ca -0.00 -0.48 -0.05 0.00 -0.12 0.00 0.00 57.88 57.23 1wmi h LEU 23 Cb 0.41 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.34 1wmi h LEU 23 CO 0.00 0.47 -0.20 1.05 -0.62 0.00 0.00 178.44 179.14 1wmi h GLU 24 N -0.56 0.10 -0.11 1.25 4.11 -1.12 -1.67 114.58 116.58 1wmi h GLU 24 Ca -0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 1wmi h GLU 24 Cb 0.51 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1wmi h GLU 24 CO 0.01 0.30 0.05 0.00 0.07 0.00 0.00 179.01 179.43 1wmi h ALA 25 N 1.71 0.14 -0.99 1.06 0.00 -1.25 -2.21 119.26 117.72 1wmi h ALA 25 Ca 0.02 -0.08 0.20 0.00 0.00 0.00 0.00 54.91 55.04 1wmi h ALA 25 Cb 0.41 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.05 1wmi h ALA 25 CO 0.03 -0.28 0.58 0.52 0.00 0.00 0.00 179.25 180.09 1wmi h MET 26 N 0.04 0.67 0.00 0.00 2.86 -0.38 0.32 114.93 118.43 1wmi h MET 26 Ca 0.04 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1wmi h MET 26 Cb 0.14 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1wmi h MET 26 CO -0.00 0.44 0.00 1.28 1.06 0.00 0.00 176.91 179.69 1wmi n LEU 27 N -4.82 0.00 -4.85 1.22 4.77 -0.81 -4.75 117.00 107.75 1wmi n LEU 27 Ca 0.24 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.84 1wmi n LEU 27 Cb 0.60 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.63 1wmi n LEU 27 CO 0.20 0.00 -0.04 -0.04 -1.33 0.00 0.00 177.39 176.17 1wmi s MET 28 N -2.00 3.68 0.34 3.23 -1.94 0.11 -5.08 119.30 117.65 1wmi s MET 28 Ca 0.12 0.12 -0.25 0.00 -1.71 0.00 0.00 55.69 53.97 1wmi s MET 28 Cb 0.06 -3.21 -0.10 0.00 2.01 0.00 0.00 34.83 33.58 1wmi s MET 28 CO 0.10 0.72 0.96 -2.14 -0.01 0.00 0.00 175.02 174.64 1wmi s PRO 29 N -0.99 4.49 0.70 2.03 0.02 -1.26 -5.03 135.00 134.96 1wmi s PRO 29 Ca 0.19 1.33 -0.14 0.00 0.02 0.00 0.00 61.00 62.39 1wmi s PRO 29 Cb -0.14 -2.69 0.02 0.00 0.02 0.00 0.00 34.50 31.71 1wmi s PRO 29 CO 0.08 0.19 1.13 -1.21 -0.33 0.00 0.00 177.00 176.86 1wmi s GLU 30 N -2.24 2.50 -0.17 5.54 2.02 -1.26 -5.03 118.70 120.05 1wmi s GLU 30 Ca 0.52 1.43 -0.34 0.00 0.02 0.00 0.00 54.97 56.60 1wmi s GLU 30 Cb -0.18 -1.91 0.14 0.00 0.10 0.00 0.00 34.13 32.28 1wmi s GLU 30 CO 0.23 -1.49 1.17 -2.00 0.02 0.00 0.00 175.26 173.19 1wmi s GLU 31 N -4.22 0.36 0.23 1.61 2.12 -1.26 -5.19 118.70 112.37 1wmi s GLU 31 Ca 0.67 -0.13 0.05 0.00 0.36 0.00 0.00 54.97 55.92 1wmi s GLU 31 Cb -0.22 0.17 -0.02 0.00 0.26 0.00 0.00 34.13 34.32 1wmi s GLU 31 CO 0.45 -0.16 0.17 0.54 -0.54 0.00 0.00 175.26 175.72 1wmi n ARG 32 N -0.08 0.38 -4.33 4.30 3.00 -1.26 -5.16 116.66 113.51 1wmi n ARG 32 Ca -0.01 -2.25 -0.25 0.00 -0.01 0.00 0.00 57.85 55.33 1wmi n ARG 32 Cb 0.59 1.68 -0.12 0.00 0.00 0.00 0.00 32.46 34.61 1wmi n ARG 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1wmi s ASP 33 N -2.59 2.82 0.24 0.55 1.01 -1.26 -5.02 116.67 112.42 1wmi s ASP 33 Ca 0.23 -0.73 -0.15 0.00 0.71 0.00 0.00 52.55 52.61 1wmi s ASP 33 Cb 0.01 -0.17 0.28 0.00 1.01 0.00 0.00 42.92 44.05 1wmi s ASP 33 CO 0.17 0.08 1.56 -0.33 0.21 0.00 0.00 175.17 176.86 1wmi h GLU 34 N 3.88 -0.02 -1.54 8.23 5.08 -2.05 0.31 114.58 128.46 1wmi h GLU 34 Ca -0.47 0.00 0.47 0.00 -1.00 0.00 0.00 59.36 58.36 1wmi h GLU 34 Cb 1.18 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.34 1wmi h GLU 34 CO 0.41 -0.01 1.07 0.22 -1.00 0.00 0.00 179.01 179.70 1wmi h ASP 35 N -0.02 0.11 -3.64 1.42 -0.00 -2.06 -3.39 116.42 108.84 1wmi h ASP 35 Ca 0.37 0.06 -0.63 0.00 -0.00 0.00 0.00 57.03 56.82 1wmi h ASP 35 Cb 0.62 0.05 -0.17 0.00 -0.00 0.00 0.00 39.33 39.83 1wmi h ASP 35 CO -0.95 -0.07 -0.53 -0.63 -0.00 0.00 0.00 179.24 177.06 1wmi s ILE 36 N -5.07 5.12 0.25 2.25 1.01 0.11 -5.10 121.20 119.77 1wmi s ILE 36 Ca -0.06 0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.75 1wmi s ILE 36 Cb 0.27 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 1wmi s ILE 36 CO 0.85 0.33 0.30 0.42 0.00 0.00 0.00 174.94 176.84 1wmi s THR 37 N 1.24 4.97 0.40 2.92 -4.23 -1.26 -4.53 115.64 115.14 1wmi s THR 37 Ca 0.07 -1.13 0.07 0.00 -1.18 0.00 0.00 61.69 59.51 1wmi s THR 37 Cb -0.14 -3.70 0.23 0.00 1.34 0.00 0.00 72.50 70.23 1wmi s THR 37 CO 0.06 -0.34 2.01 1.05 -0.54 0.00 0.00 174.62 176.86 1wmi h GLU 38 N 1.28 0.49 0.00 3.99 -0.00 -1.98 -0.93 114.58 117.43 1wmi h GLU 38 Ca -0.51 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 58.80 1wmi h GLU 38 Cb 1.23 -0.10 0.00 0.00 -0.00 0.00 0.00 28.75 29.88 1wmi h GLU 38 CO 0.61 0.38 0.00 0.39 -0.00 0.00 0.00 179.01 180.39 1wmi n GLU 39 N -4.42 0.00 -0.42 1.06 1.02 -1.26 -0.69 120.64 115.92 1wmi n GLU 39 Ca 0.02 0.46 0.37 0.00 -0.02 0.00 0.00 57.16 57.98 1wmi n GLU 39 Cb 0.12 -1.24 0.70 0.00 -0.02 0.00 0.00 31.44 30.99 1wmi n GLU 39 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1wmi h GLU 40 N 0.00 0.09 -0.30 3.49 4.81 -1.89 1.38 114.58 122.17 1wmi h GLU 40 Ca 0.00 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 1wmi h GLU 40 Cb 0.00 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1wmi h GLU 40 CO 0.00 0.06 -0.40 0.82 -0.73 0.00 0.00 179.01 178.76 1wmi h ILE 41 N 0.10 1.29 0.06 2.32 2.04 -0.60 0.66 117.51 123.38 1wmi h ILE 41 Ca 0.70 -1.58 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 1wmi h ILE 41 Cb 2.47 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 40.04 1wmi h ILE 41 CO -0.15 0.51 -0.03 0.00 0.00 0.00 0.00 178.15 178.47 1wmi h ALA 42 N 0.96 -0.09 -0.73 1.87 0.00 0.41 0.16 119.26 121.86 1wmi h ALA 42 Ca 0.05 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1wmi h ALA 42 Cb 0.94 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1wmi h ALA 42 CO 0.09 -0.49 0.48 1.49 0.00 0.00 0.00 179.25 180.82 1wmi h GLU 43 N -0.21 0.78 -0.25 0.00 4.22 -1.10 -0.85 114.58 117.16 1wmi h GLU 43 Ca -0.01 -0.05 -0.04 0.00 0.08 0.00 0.00 59.36 59.35 1wmi h GLU 43 Cb 0.18 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1wmi h GLU 43 CO 0.01 0.51 0.02 -0.07 -2.18 0.00 0.00 179.01 177.30 1wmi h LEU 44 N 0.80 0.43 -0.53 1.64 3.38 -0.19 0.16 115.31 121.00 1wmi h LEU 44 Ca 0.31 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1wmi h LEU 44 Cb 0.19 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1wmi h LEU 44 CO -0.10 0.61 0.32 -0.07 0.09 0.00 0.00 178.44 179.29 1wmi h LEU 45 N 0.23 0.52 -0.44 1.67 -0.00 -0.47 0.23 115.31 117.04 1wmi h LEU 45 Ca 0.07 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 58.04 1wmi h LEU 45 Cb 0.38 -0.11 -0.07 0.00 -0.00 0.00 0.00 40.66 40.87 1wmi h LEU 45 CO 0.01 0.37 -0.01 -0.08 -0.00 0.00 0.00 178.44 178.73 1wmi h GLU 46 N 0.63 0.10 -0.05 1.13 4.81 -0.75 -1.03 114.58 119.43 1wmi h GLU 46 Ca 0.21 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1wmi h GLU 46 Cb 0.02 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 1wmi h GLU 46 CO -0.09 0.07 0.01 1.25 -0.73 0.00 0.00 179.01 179.51 1wmi h LEU 47 N 0.10 0.07 -1.36 1.64 6.46 0.04 -2.55 115.31 119.71 1wmi h LEU 47 Ca 0.22 -0.25 0.26 0.00 -0.12 0.00 0.00 57.88 57.99 1wmi h LEU 47 Cb 0.32 -0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 40.14 1wmi h LEU 47 CO -0.37 0.30 0.66 0.00 -0.62 0.00 0.00 178.44 178.42 1wmi h ALA 48 N 0.77 2.21 -0.01 1.25 0.00 0.05 0.34 119.26 123.87 1wmi h ALA 48 Ca 0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wmi h ALA 48 Cb 0.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1wmi h ALA 48 CO 0.00 -0.61 -0.22 0.54 0.00 0.00 0.00 179.25 178.96 1wmi n ARG 49 N -4.62 0.93 -2.21 0.00 1.74 -0.45 -4.84 116.66 107.21 1wmi n ARG 49 Ca 0.25 -0.53 -0.42 0.00 -0.77 0.00 0.00 57.85 56.38 1wmi n ARG 49 Cb 0.86 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.78 1wmi n ARG 49 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1wmi s ASP 50 N -2.44 6.85 0.00 0.55 -1.08 0.12 -4.90 116.67 115.77 1wmi s ASP 50 Ca 0.26 2.20 0.10 0.00 -0.52 0.00 0.00 52.55 54.60 1wmi s ASP 50 Cb 0.19 -2.57 0.25 0.00 -1.46 0.00 0.00 42.92 39.33 1wmi s ASP 50 CO 0.49 -0.68 1.16 1.21 0.52 0.00 0.00 175.17 177.88 1wmi n GLU 51 N 4.71 2.42 -2.14 4.34 4.07 -1.26 -4.98 120.64 127.80 1wmi n GLU 51 Ca 0.12 -1.85 -0.43 0.00 -0.06 0.00 0.00 57.16 54.95 1wmi n GLU 51 Cb 0.43 -1.24 -0.02 0.00 -0.06 0.00 0.00 31.44 30.54 1wmi n GLU 51 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1wmi s ASP 52 N -0.98 6.40 0.25 4.31 3.68 -1.26 -4.91 116.67 124.16 1wmi s ASP 52 Ca 0.20 1.58 -0.08 0.00 2.13 0.00 0.00 52.55 56.38 1wmi s ASP 52 Cb 0.11 -2.53 0.43 0.00 -1.45 0.00 0.00 42.92 39.47 1wmi s ASP 52 CO 0.14 -1.24 1.61 -0.65 0.13 0.00 0.00 175.17 175.17 1wmi h PRO 53 N 10.60 0.05 -1.44 4.34 0.11 -1.93 -2.20 132.00 141.52 1wmi h PRO 53 Ca -0.33 -0.00 0.42 0.00 0.11 0.00 0.00 66.00 66.20 1wmi h PRO 53 Cb 1.15 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 1wmi h PRO 53 CO 1.00 0.03 1.02 1.05 -0.21 0.00 0.00 178.00 180.89 1wmi h GLU 54 N 0.05 0.05 0.00 1.05 4.11 -2.03 0.44 114.58 118.25 1wmi h GLU 54 Ca 0.42 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.84 1wmi h GLU 54 Cb 0.72 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1wmi h GLU 54 CO -0.75 0.03 -0.06 -0.91 0.07 0.00 0.00 179.01 177.39 1wmi h ASN 55 N 0.05 0.00 -3.09 3.06 -0.26 -1.80 -3.47 115.58 110.07 1wmi h ASN 55 Ca 0.72 -0.02 -0.49 0.00 -0.56 0.00 0.00 56.30 55.95 1wmi h ASN 55 Cb 2.71 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 39.82 1wmi h ASN 55 CO -0.09 0.01 -0.75 0.26 -1.06 0.00 0.00 177.43 175.80 1wmi s TRP 56 N -3.12 1.83 -0.03 1.19 0.52 0.16 -5.13 118.94 114.35 1wmi s TRP 56 Ca 0.10 -0.51 -0.07 0.00 0.02 0.00 0.00 56.10 55.64 1wmi s TRP 56 Cb 0.11 -0.85 0.01 0.00 -1.15 0.00 0.00 33.47 31.60 1wmi s TRP 56 CO 0.62 0.42 0.16 0.96 0.02 0.00 0.00 176.95 179.12 1wmi s ILE 57 N -2.73 0.05 0.25 2.03 -4.36 -1.26 -4.95 121.20 110.23 1wmi s ILE 57 Ca 0.23 -0.37 -0.30 0.00 -0.26 0.00 0.00 60.65 59.95 1wmi s ILE 57 Cb -0.02 -0.35 -0.10 0.00 1.25 0.00 0.00 42.46 43.24 1wmi s ILE 57 CO 0.08 -0.20 1.33 -1.81 0.24 0.00 0.00 174.94 174.58 1wmi s ASP 58 N -0.71 6.82 0.49 4.36 1.01 -1.26 -4.90 116.67 122.48 1wmi s ASP 58 Ca -0.08 2.54 0.22 0.00 0.71 0.00 0.00 52.55 55.94 1wmi s ASP 58 Cb -0.05 -2.62 1.25 0.00 1.01 0.00 0.00 42.92 42.51 1wmi s ASP 58 CO 0.01 -0.55 2.03 0.00 0.21 0.00 0.00 175.17 176.87 1wmi h ALA 59 N 4.66 1.44 0.00 5.23 0.00 -2.00 -2.30 119.26 126.28 1wmi h ALA 59 Ca -0.46 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1wmi h ALA 59 Cb 1.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1wmi h ALA 59 CO 0.74 0.20 0.00 0.93 0.00 0.00 0.00 179.25 181.11 1wmi h GLU 60 N 0.00 0.00 -0.84 0.00 4.39 -2.03 -2.18 114.58 113.93 1wmi h GLU 60 Ca -0.00 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.40 1wmi h GLU 60 Cb 0.35 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 28.82 1wmi h GLU 60 CO 0.02 0.00 0.38 -0.85 -1.16 0.00 0.00 179.01 177.40 1wmi n GLU 61 N -2.50 3.26 -3.20 2.33 0.28 -0.87 -4.93 120.64 115.02 1wmi n GLU 61 Ca 0.00 -2.98 -0.33 0.00 -0.16 0.00 0.00 57.16 53.69 1wmi n GLU 61 Cb 0.16 -2.19 -0.06 0.00 1.43 0.00 0.00 31.44 30.78 1wmi n GLU 61 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1wmi s LEU 62 N -3.00 4.11 1.02 -1.84 1.43 -0.82 -5.03 118.68 114.55 1wmi s LEU 62 Ca 0.54 1.20 -0.12 0.00 -1.03 0.00 0.00 54.13 54.73 1wmi s LEU 62 Cb 0.44 -3.94 0.18 0.00 0.03 0.00 0.00 46.19 42.90 1wmi s LEU 62 CO 0.13 -0.15 0.93 -2.65 0.23 0.00 0.00 176.35 174.83 1wmi n PRO 63 N -0.22 -1.17 -4.29 1.29 -0.02 -1.26 -5.04 135.00 124.29 1wmi n PRO 63 Ca 0.02 -0.29 -0.34 0.00 -2.02 0.00 0.00 63.50 60.87 1wmi n PRO 63 Cb 0.53 -2.19 -0.15 0.00 -0.02 0.00 0.00 33.50 31.66 1wmi n PRO 63 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1wmi s GLU 64 N -4.34 3.22 -0.04 -0.52 -1.05 -1.26 -5.07 118.70 109.63 1wmi s GLU 64 Ca 0.65 -0.73 -0.07 0.00 -0.15 0.00 0.00 54.97 54.67 1wmi s GLU 64 Cb -0.23 -2.71 -0.03 0.00 -0.44 0.00 0.00 34.13 30.72 1wmi s GLU 64 CO 0.62 -0.08 0.23 -2.30 0.95 0.00 0.00 175.26 174.68 1wmi n PRO 65 N 4.34 0.00 0.14 -4.83 -0.02 -1.26 -4.93 135.00 128.45 1wmi n PRO 65 Ca -0.19 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.15 1wmi n PRO 65 Cb 0.51 -0.26 -0.08 0.00 -0.02 0.00 0.00 33.50 33.65 1wmi n PRO 65 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1wmi h GLU 66 N 0.68 -0.30 0.00 -0.52 4.11 -2.06 -3.58 114.58 112.91 1wmi h GLU 66 Ca -0.08 0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.37 1wmi h GLU 66 Cb 0.24 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1wmi h GLU 66 CO 0.14 -0.10 0.00 -0.40 0.07 0.00 0.00 179.01 178.72