#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1by6 s VAL 45 N 0.00 1.15 -0.37 0.00 1.01 -1.26 -4.94 120.40 115.99 1by6 s VAL 45 Ca 0.00 -2.86 0.13 0.00 0.00 0.00 0.00 61.98 59.25 1by6 s VAL 45 Cb 0.00 -1.79 0.42 0.00 0.00 0.00 0.00 36.38 35.01 1by6 s VAL 45 CO 0.00 -1.07 1.15 0.47 0.00 0.00 0.00 175.10 175.65 1by6 n ASP 46 N 2.99 -0.35 -3.14 3.32 8.00 -1.26 -4.99 116.55 121.12 1by6 n ASP 46 Ca 0.20 -2.64 -0.19 0.00 0.71 0.00 0.00 54.79 52.86 1by6 n ASP 46 Cb 0.40 0.32 -0.04 0.00 -0.02 0.00 0.00 41.12 41.78 1by6 n ASP 46 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1by6 n GLU 47 N -0.29 0.86 -3.01 -1.24 4.07 -1.26 -5.00 120.64 114.77 1by6 n GLU 47 Ca 0.04 -3.15 -0.37 0.00 -0.06 0.00 0.00 57.16 53.62 1by6 n GLU 47 Cb 0.82 -1.45 -0.02 0.00 -0.06 0.00 0.00 31.44 30.73 1by6 n GLU 47 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1by6 n LYS 48 N 0.81 4.08 -1.03 5.31 0.00 -1.26 -5.06 118.16 121.01 1by6 n LYS 48 Ca 0.22 -4.65 -0.36 0.00 0.00 0.00 0.00 58.31 53.51 1by6 n LYS 48 Cb 0.61 -2.41 0.05 0.00 0.00 0.00 0.00 35.03 33.28 1by6 n LYS 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1by6 n LEU 49 N 0.68 -4.53 -3.81 3.14 4.77 -1.26 -4.52 117.00 111.47 1by6 n LEU 49 Ca 0.32 0.30 -0.38 0.00 -0.03 0.00 0.00 56.01 56.23 1by6 n LEU 49 Cb 0.34 -0.86 -0.10 0.00 -2.33 0.00 0.00 43.42 40.48 1by6 n LEU 49 CO 0.55 -5.37 1.57 -1.14 -1.33 0.00 0.00 177.39 171.67 1by6 n ARG 50 N 1.63 0.53 0.32 3.23 3.00 -1.26 -4.58 116.66 119.54 1by6 n ARG 50 Ca 0.01 -1.46 0.22 0.00 -0.00 0.00 0.00 57.85 56.62 1by6 n ARG 50 Cb 0.54 -2.96 1.14 0.00 0.00 0.00 0.00 32.46 31.18 1by6 n ARG 50 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1by6 h ASP 51 N 9.74 0.00 -0.30 6.15 5.19 -2.00 -3.10 116.42 132.09 1by6 h ASP 51 Ca 0.25 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.69 1by6 h ASP 51 Cb 0.76 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.23 1by6 h ASP 51 CO 1.78 0.00 -0.21 0.25 -3.12 0.00 0.00 179.24 177.94 1by6 h LEU 52 N 0.00 -0.76 -1.46 1.55 5.85 -1.91 0.58 115.31 119.15 1by6 h LEU 52 Ca 0.00 0.11 0.28 0.00 0.84 0.00 0.00 57.88 59.11 1by6 h LEU 52 Cb 0.03 0.33 -0.09 0.00 0.37 0.00 0.00 40.66 41.30 1by6 h LEU 52 CO 0.00 -0.10 0.70 0.22 -0.34 0.00 0.00 178.44 178.91 1by6 h TYR 53 N -0.04 0.55 0.00 1.25 3.20 -1.95 0.99 116.97 120.96 1by6 h TYR 53 Ca 0.05 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1by6 h TYR 53 Cb 0.17 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.28 1by6 h TYR 53 CO -0.88 0.04 0.00 0.45 -1.64 0.00 0.00 178.16 176.13 1by6 n SER 54 N -4.56 0.00 -2.73 -2.11 2.88 0.19 -3.97 113.62 103.31 1by6 n SER 54 Ca 0.26 0.39 -0.02 0.00 -1.33 0.00 0.00 58.87 58.16 1by6 n SER 54 Cb 0.95 -0.46 0.10 0.00 -0.75 0.00 0.00 64.21 64.04 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 -1.46 1.45 0.10 -1.46 5.02 0.30 -4.92 118.16 117.20 1by6 n LYS 55 Ca 0.07 -2.14 0.00 0.00 -2.02 0.00 0.00 58.31 54.22 1by6 n LYS 55 Cb 0.26 -0.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.90 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 -1.05 0.30 -1.31 4.39 7.64 0.11 -4.89 113.62 118.81 1by6 n SER 56 Ca -0.07 0.33 -0.01 0.00 1.01 0.00 0.00 58.87 60.14 1by6 n SER 56 Cb 0.85 0.12 0.25 0.00 -1.01 0.00 0.00 64.21 64.41 1by6 n SER 56 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1by6 n THR 57 N -3.43 2.58 -1.22 0.44 5.66 -1.26 -4.39 114.28 112.65 1by6 n THR 57 Ca 0.00 -2.12 -0.26 0.00 -3.05 0.00 0.00 64.05 58.62 1by6 n THR 57 Cb 0.02 -0.31 -0.09 0.00 -1.55 0.00 0.00 70.33 68.39 1by6 n THR 57 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1by6 n ALA 58 N -0.68 6.94 -1.33 1.79 0.00 -1.26 -4.46 120.51 121.51 1by6 n ALA 58 Ca 0.32 -2.77 -0.09 0.00 0.00 0.00 0.00 53.44 50.89 1by6 n ALA 58 Cb 1.10 -2.80 -0.04 0.00 0.00 0.00 0.00 19.45 17.71 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 2.83 -0.15 -1.00 0.00 0.00 -1.26 -4.97 120.51 115.96 1by6 n ALA 59 Ca 0.60 0.15 0.00 0.00 0.00 0.00 0.00 53.44 54.19 1by6 n ALA 59 Cb 0.56 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 -2.67 0.00 -0.33 0.00 0.00 -1.26 -4.44 117.12 108.42 1by6 n MET 60 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 57.70 57.43 1by6 n MET 60 Cb 0.33 -0.12 0.16 0.00 0.00 0.00 0.00 33.22 33.58 1by6 n MET 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1by6 n SER 61 N 0.00 -2.54 0.00 6.12 3.41 -1.26 -2.91 113.62 116.44 1by6 n SER 61 Ca 0.00 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.95 1by6 n SER 61 Cb 0.00 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 1by6 n SER 61 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1by6 n THR 62 N -4.28 0.00 -3.22 6.66 -1.04 -1.26 -4.18 114.28 106.97 1by6 n THR 62 Ca 0.08 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.81 1by6 n THR 62 Cb 0.34 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.79 1by6 n THR 62 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1by6 n TYR 63 N 0.00 3.68 -0.01 -1.42 4.19 -1.24 -4.82 117.16 117.54 1by6 n TYR 63 Ca 0.00 -3.96 -0.05 0.00 3.31 0.00 0.00 57.90 57.20 1by6 n TYR 63 Cb 0.00 -0.60 -0.02 0.00 0.49 0.00 0.00 39.34 39.22 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 0.49 1.21 -3.32 2.97 -1.04 -1.15 -4.65 114.28 108.79 1by6 n THR 64 Ca 0.31 0.24 -0.38 0.00 -2.04 0.00 0.00 64.05 62.18 1by6 n THR 64 Cb 0.39 -1.83 -0.06 0.00 -1.82 0.00 0.00 70.33 67.01 1by6 n THR 64 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1by6 s GLY 65 N -4.47 2.39 -0.22 3.41 0.00 -1.26 -4.89 107.32 102.27 1by6 s GLY 65 Ca -0.11 -0.19 0.02 0.00 0.00 0.00 0.00 44.72 44.43 1by6 s GLY 65 CO 0.16 0.77 0.92 4.51 0.00 0.00 0.00 173.10 179.45 1by6 n ILE 66 N 3.67 0.00 -3.77 0.90 3.06 -1.26 -5.14 119.36 116.83 1by6 n ILE 66 Ca -0.07 -0.48 -0.15 0.00 -2.50 0.00 0.00 62.75 59.55 1by6 n ILE 66 Cb 0.52 0.58 -0.16 0.00 0.54 0.00 0.00 39.64 41.11 1by6 n ILE 66 CO 0.00 0.00 0.00 0.72 -2.50 0.00 0.00 176.55 174.77 1by6 s PHE 67 N 0.03 -0.00 0.08 9.51 -0.12 -1.26 -5.15 117.98 121.07 1by6 s PHE 67 Ca 0.03 0.18 -0.16 0.00 -0.05 0.00 0.00 56.93 56.93 1by6 s PHE 67 Cb 0.06 -0.21 0.03 0.00 -0.63 0.00 0.00 43.02 42.27 1by6 s PHE 67 CO -0.02 -0.10 0.37 0.95 -0.05 0.00 0.00 175.22 176.38 1by6 s THR 68 N 1.08 0.07 0.41 -4.49 -4.23 -1.26 -4.95 115.64 102.27 1by6 s THR 68 Ca -0.09 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 1by6 s THR 68 Cb -0.13 -1.08 0.00 0.00 1.34 0.00 0.00 72.50 72.63 1by6 s THR 68 CO -0.03 -0.33 0.00 0.47 -0.54 0.00 0.00 174.62 174.18 1by6 n ASP 69 N 0.13 -8.04 0.00 3.99 8.00 -1.26 -4.38 116.55 114.99 1by6 n ASP 69 Ca -0.17 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.46 1by6 n ASP 69 Cb 0.62 -4.18 0.00 0.00 -0.02 0.00 0.00 41.12 37.54 1by6 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1by6 n GLN 70 N -0.39 0.00 -0.86 -1.24 1.13 -1.26 -4.31 117.38 110.45 1by6 n GLN 70 Ca 0.00 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.96 1by6 n GLN 70 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.28 1by6 n GLN 70 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1by6 n VAL 71 N 0.00 2.64 -2.69 5.09 0.31 -1.26 -4.09 118.33 118.33 1by6 n VAL 71 Ca 0.00 -1.32 -0.06 0.00 -0.01 0.00 0.00 64.34 62.95 1by6 n VAL 71 Cb 0.00 -1.69 0.10 0.00 -0.91 0.00 0.00 33.84 31.34 1by6 n VAL 71 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1by6 n LEU 72 N 1.68 -1.79 0.00 7.52 0.00 -1.26 -4.70 117.00 118.45 1by6 n LEU 72 Ca 0.26 -3.18 0.00 0.00 0.00 0.00 0.00 56.01 53.09 1by6 n LEU 72 Cb 0.68 0.20 0.00 0.00 0.00 0.00 0.00 43.42 44.30 1by6 n LEU 72 CO 0.13 1.78 0.00 -1.20 0.00 0.00 0.00 177.39 178.10 1by6 n SER 73 N -0.54 0.00 -0.33 1.96 7.64 -1.26 -4.90 113.62 116.19 1by6 n SER 73 Ca -0.07 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.85 1by6 n SER 73 Cb 0.81 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 64.06 1by6 n SER 73 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1by6 n VAL 74 N 0.00 0.20 -0.01 0.44 0.31 -1.26 -4.38 118.33 113.63 1by6 n VAL 74 Ca 0.00 -0.60 -0.21 0.00 -0.01 0.00 0.00 64.34 63.52 1by6 n VAL 74 Cb 0.00 1.03 -0.14 0.00 -0.91 0.00 0.00 33.84 33.82 1by6 n VAL 74 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1by6 n LEU 75 N 0.38 2.62 -3.06 7.52 -0.00 -1.26 -4.73 117.00 118.48 1by6 n LEU 75 Ca 0.05 0.20 -0.16 0.00 -0.00 0.00 0.00 56.01 56.10 1by6 n LEU 75 Cb 0.23 -1.10 -0.00 0.00 -0.00 0.00 0.00 43.42 42.55 1by6 n LEU 75 CO 0.05 0.83 -0.07 1.17 -0.00 0.00 0.00 177.39 179.36 1by6 n LYS 76 N -3.52 0.95 0.00 1.96 4.81 -1.26 -5.02 118.16 116.08 1by6 n LYS 76 Ca -0.33 -2.93 0.00 0.00 -0.87 0.00 0.00 58.31 54.18 1by6 n LYS 76 Cb 1.02 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 34.59 1by6 n LYS 76 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1by6 n GLY 77 N 0.46 0.15 1.85 3.14 0.00 -1.26 -1.79 105.19 107.75 1by6 n GLY 77 Ca 0.19 0.13 -0.03 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 0.66 0.00 1.61 4.07 -1.26 -4.68 120.64 121.03 1by6 n GLU 78 Ca 0.00 -0.81 0.00 0.00 -0.06 0.00 0.00 57.16 56.29 1by6 n GLU 78 Cb 0.00 0.37 0.00 0.00 -0.06 0.00 0.00 31.44 31.75 1by6 n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16