#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1by6 n VAL 45 N 0.00 2.08 -0.13 0.00 0.31 -1.26 -4.78 118.33 114.55 1by6 n VAL 45 Ca 0.00 -5.04 0.00 0.00 -0.01 0.00 0.00 64.34 59.29 1by6 n VAL 45 Cb 0.00 -2.17 0.01 0.00 -0.91 0.00 0.00 33.84 30.76 1by6 n VAL 45 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1by6 n ASP 46 N 1.58 1.84 0.00 4.52 2.03 -1.26 -4.85 116.55 120.41 1by6 n ASP 46 Ca 0.24 -1.96 0.00 0.00 0.52 0.00 0.00 54.79 53.59 1by6 n ASP 46 Cb 0.37 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 1by6 n ASP 46 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1by6 n GLU 47 N -0.49 0.00 0.08 -0.67 4.07 -1.26 -4.83 120.64 117.54 1by6 n GLU 47 Ca 0.01 0.79 0.00 0.00 -0.06 0.00 0.00 57.16 57.90 1by6 n GLU 47 Cb 0.29 -1.37 0.00 0.00 -0.06 0.00 0.00 31.44 30.30 1by6 n GLU 47 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1by6 n LYS 48 N -2.33 0.00 -4.19 5.31 5.02 -1.26 -4.95 118.16 115.76 1by6 n LYS 48 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 1by6 n LYS 48 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 1by6 n LYS 48 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1by6 n LEU 49 N -2.95 -1.56 -3.50 -0.35 4.32 -1.26 0.20 117.00 111.90 1by6 n LEU 49 Ca 0.00 -1.12 -0.20 0.00 -0.02 0.00 0.00 56.01 54.67 1by6 n LEU 49 Cb 0.00 -1.92 0.06 0.00 -1.62 0.00 0.00 43.42 39.94 1by6 n LEU 49 CO 0.00 0.38 0.00 -1.14 -1.22 0.00 0.00 177.39 175.42 1by6 n ARG 50 N -4.42 -4.02 -0.28 3.23 3.00 -1.26 -4.76 116.66 108.15 1by6 n ARG 50 Ca -0.20 0.73 0.34 0.00 -0.00 0.00 0.00 57.85 58.71 1by6 n ARG 50 Cb 0.63 -5.39 0.68 0.00 0.00 0.00 0.00 32.46 28.39 1by6 n ARG 50 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.63 178.01 1by6 h ASP 51 N -1.65 0.00 0.00 6.15 3.04 -0.62 0.85 116.42 124.18 1by6 h ASP 51 Ca -0.61 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.18 1by6 h ASP 51 Cb 1.34 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.63 1by6 h ASP 51 CO 0.50 0.00 0.38 0.25 -2.04 0.00 0.00 179.24 178.33 1by6 h LEU 52 N 0.00 0.00 -1.39 0.15 6.46 -1.85 -1.93 115.31 116.74 1by6 h LEU 52 Ca 0.54 0.00 0.13 0.00 -0.12 0.00 0.00 57.88 58.43 1by6 h LEU 52 Cb 2.47 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 42.38 1by6 h LEU 52 CO -0.01 0.00 0.74 0.10 -0.62 0.00 0.00 178.44 178.66 1by6 h TYR 53 N 0.00 0.00 0.00 1.25 -0.00 0.43 -2.39 116.97 116.26 1by6 h TYR 53 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 58.73 58.57 1by6 h TYR 53 Cb 0.75 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 37.42 1by6 h TYR 53 CO 0.00 0.00 -0.33 0.45 -0.00 0.00 0.00 178.16 178.28 1by6 n SER 54 N -3.21 5.21 -0.39 0.10 2.88 -0.73 -3.97 113.62 113.52 1by6 n SER 54 Ca 0.09 -2.46 0.07 0.00 -1.33 0.00 0.00 58.87 55.23 1by6 n SER 54 Cb 0.91 -1.37 0.02 0.00 -0.75 0.00 0.00 64.21 63.02 1by6 n SER 54 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1by6 n LYS 55 N 2.37 1.54 -0.01 -1.46 5.02 -0.90 -4.56 118.16 120.16 1by6 n LYS 55 Ca 0.37 -0.93 -0.03 0.00 -2.02 0.00 0.00 58.31 55.70 1by6 n LYS 55 Cb 0.86 -1.21 -0.01 0.00 -0.02 0.00 0.00 35.03 34.64 1by6 n LYS 55 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1by6 n SER 56 N 0.16 1.05 -0.07 4.39 7.64 -1.25 -4.19 113.62 121.35 1by6 n SER 56 Ca 0.06 0.16 0.23 0.00 1.01 0.00 0.00 58.87 60.34 1by6 n SER 56 Cb 0.30 -0.43 0.49 0.00 -1.01 0.00 0.00 64.21 63.57 1by6 n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1by6 h THR 57 N -0.31 0.09 0.00 0.44 1.03 -1.85 1.17 112.91 113.47 1by6 h THR 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1by6 h THR 57 Cb 0.31 0.19 0.00 0.00 -1.07 0.00 0.00 68.15 67.58 1by6 h THR 57 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.51 1by6 n ALA 58 N -2.19 2.31 -3.36 0.00 0.00 -1.26 -4.84 120.51 111.16 1by6 n ALA 58 Ca 0.16 -0.08 -0.18 0.00 0.00 0.00 0.00 53.44 53.33 1by6 n ALA 58 Cb 1.21 -1.22 0.07 0.00 0.00 0.00 0.00 19.45 19.51 1by6 n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1by6 n ALA 59 N -0.79 -1.32 -0.37 0.00 0.00 0.40 -4.86 120.51 113.57 1by6 n ALA 59 Ca 0.10 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1by6 n ALA 59 Cb 0.05 -3.89 0.00 0.00 0.00 0.00 0.00 19.45 15.61 1by6 n ALA 59 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1by6 n MET 60 N -4.12 0.00 -0.23 0.00 0.00 -1.24 -2.02 117.12 109.52 1by6 n MET 60 Ca -0.08 0.81 -0.06 0.00 0.00 0.00 0.00 57.70 58.37 1by6 n MET 60 Cb 0.58 -1.31 -0.05 0.00 0.00 0.00 0.00 33.22 32.44 1by6 n MET 60 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1by6 n SER 61 N -2.24 -0.57 -0.47 6.12 7.64 -1.26 0.16 113.62 122.99 1by6 n SER 61 Ca 0.00 1.36 0.42 0.00 1.01 0.00 0.00 58.87 61.66 1by6 n SER 61 Cb 0.00 -0.32 0.71 0.00 -1.01 0.00 0.00 64.21 63.58 1by6 n SER 61 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1by6 h THR 62 N 0.00 0.09 -0.74 0.44 2.02 -1.83 -3.16 112.91 109.73 1by6 h THR 62 Ca 0.09 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.10 1by6 h THR 62 Cb 0.22 0.10 -0.15 0.00 -1.74 0.00 0.00 68.15 66.58 1by6 h THR 62 CO -0.51 0.00 -0.49 0.00 0.37 0.00 0.00 175.52 174.90 1by6 n TYR 63 N -3.77 -3.71 0.00 3.16 4.19 0.42 -5.05 117.16 112.40 1by6 n TYR 63 Ca 0.34 -1.46 0.00 0.00 3.31 0.00 0.00 57.90 60.09 1by6 n TYR 63 Cb 1.70 1.51 0.00 0.00 0.49 0.00 0.00 39.34 43.04 1by6 n TYR 63 CO 0.00 0.00 0.00 2.41 0.91 0.00 0.00 176.86 180.18 1by6 n THR 64 N 2.61 0.00 0.06 2.97 -1.04 0.18 -4.64 114.28 114.42 1by6 n THR 64 Ca 0.16 0.63 0.00 0.00 -2.04 0.00 0.00 64.05 62.80 1by6 n THR 64 Cb 0.58 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 1by6 n THR 64 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1by6 n GLY 65 N 1.59 -0.21 1.60 3.41 0.00 -1.26 -5.04 105.19 105.28 1by6 n GLY 65 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1by6 n GLY 65 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1by6 n ILE 66 N -2.96 0.00 -0.23 -0.61 3.06 -1.26 -5.03 119.36 112.33 1by6 n ILE 66 Ca 0.00 -0.14 -0.03 0.00 -2.50 0.00 0.00 62.75 60.08 1by6 n ILE 66 Cb 0.00 0.54 0.03 0.00 0.54 0.00 0.00 39.64 40.75 1by6 n ILE 66 CO 0.00 0.00 0.00 2.19 -2.50 0.00 0.00 176.55 176.24 1by6 h PHE 67 N 0.14 -0.78 -4.23 9.51 -0.00 -1.98 -3.42 116.94 116.18 1by6 h PHE 67 Ca -0.07 0.07 -0.01 0.00 -0.00 0.00 0.00 57.97 57.96 1by6 h PHE 67 Cb 1.02 0.44 -0.01 0.00 -0.00 0.00 0.00 35.95 37.40 1by6 h PHE 67 CO -0.20 -0.36 -0.02 2.41 -0.00 0.00 0.00 178.31 180.14 1by6 n THR 68 N -5.45 0.00 -3.91 0.88 -1.04 -1.26 -4.77 114.28 98.73 1by6 n THR 68 Ca 0.06 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.98 1by6 n THR 68 Cb 0.36 -0.01 -0.02 0.00 -1.82 0.00 0.00 70.33 68.85 1by6 n THR 68 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1by6 s ASP 69 N -1.62 0.03 0.00 8.00 2.15 -1.26 -4.96 116.67 119.00 1by6 s ASP 69 Ca 0.02 -0.98 0.00 0.00 0.43 0.00 0.00 52.55 52.02 1by6 s ASP 69 Cb -0.01 0.73 0.00 0.00 -0.30 0.00 0.00 42.92 43.34 1by6 s ASP 69 CO 0.02 -1.40 0.00 1.67 -0.17 0.00 0.00 175.17 175.29 1by6 n GLN 70 N -0.48 0.00 -0.94 4.34 -0.06 -1.26 -3.96 117.38 115.02 1by6 n GLN 70 Ca -0.04 0.00 -0.11 0.00 -2.00 0.00 0.00 57.00 54.85 1by6 n GLN 70 Cb 0.60 0.00 -0.16 0.00 -4.06 0.00 0.00 30.24 26.62 1by6 n GLN 70 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1by6 n VAL 71 N 0.00 2.83 -2.78 1.69 0.31 -1.26 -4.10 118.33 115.02 1by6 n VAL 71 Ca 0.00 -1.41 -0.03 0.00 -0.01 0.00 0.00 64.34 62.89 1by6 n VAL 71 Cb 0.00 -1.97 0.05 0.00 -0.91 0.00 0.00 33.84 31.01 1by6 n VAL 71 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1by6 n LEU 72 N 2.53 1.41 -1.72 7.52 4.32 -1.25 -4.86 117.00 124.94 1by6 n LEU 72 Ca 0.41 -3.24 0.02 0.00 -0.02 0.00 0.00 56.01 53.17 1by6 n LEU 72 Cb 0.87 0.45 0.02 0.00 -1.62 0.00 0.00 43.42 43.13 1by6 n LEU 72 CO 0.13 1.22 0.11 -1.54 -1.22 0.00 0.00 177.39 176.09 1by6 n SER 73 N -0.46 0.75 -0.05 -1.43 3.41 -1.26 -4.91 113.62 109.68 1by6 n SER 73 Ca 0.07 -2.01 -0.10 0.00 -0.26 0.00 0.00 58.87 56.56 1by6 n SER 73 Cb 0.81 -0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 64.50 1by6 n SER 73 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1by6 n VAL 74 N 0.16 0.56 0.26 -3.33 0.31 -1.26 -4.33 118.33 110.71 1by6 n VAL 74 Ca 0.01 -0.16 0.09 0.00 -0.01 0.00 0.00 64.34 64.27 1by6 n VAL 74 Cb 1.02 -1.51 0.66 0.00 -0.91 0.00 0.00 33.84 33.10 1by6 n VAL 74 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1by6 h LEU 75 N -0.31 0.00 -7.23 7.52 7.12 -1.96 -3.42 115.31 117.04 1by6 h LEU 75 Ca -0.26 0.00 0.32 0.00 0.13 0.00 0.00 57.88 58.07 1by6 h LEU 75 Cb 1.25 0.00 -0.12 0.00 -0.53 0.00 0.00 40.66 41.26 1by6 h LEU 75 CO -0.14 0.04 0.82 -1.59 -0.13 0.00 0.00 178.44 177.44 1by6 s LYS 76 N -4.87 0.43 0.00 1.25 -2.85 -1.26 -4.91 119.74 107.52 1by6 s LYS 76 Ca -0.05 -0.23 0.00 0.00 -1.00 0.00 0.00 55.97 54.69 1by6 s LYS 76 Cb 0.16 0.15 0.00 0.00 -2.06 0.00 0.00 37.83 36.08 1by6 s LYS 76 CO 0.65 -0.19 0.00 0.41 0.10 0.00 0.00 175.35 176.32 1by6 n GLY 77 N -0.48 0.78 0.70 0.59 0.00 -1.26 -4.63 105.19 100.88 1by6 n GLY 77 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 1by6 n GLY 77 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1by6 n GLU 78 N -2.42 0.02 0.00 1.61 4.07 -1.26 -5.02 120.64 117.64 1by6 n GLU 78 Ca 0.00 -0.12 0.00 0.00 -0.06 0.00 0.00 57.16 56.98 1by6 n GLU 78 Cb 0.00 0.44 0.00 0.00 -0.06 0.00 0.00 31.44 31.82 1by6 n GLU 78 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22