#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 2.83 -2.66 0.00 0.31 -1.26 -4.13 118.33 113.42 1by6 n VAL 45 Ca 0.00 -1.75 -0.04 0.00 -0.01 0.00 0.00 64.34 62.54 1by6 n VAL 45 Cb 0.00 -1.24 -0.01 0.00 -0.91 0.00 0.00 33.84 31.68 1by6 n VAL 45 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1by6 n ASP 46 N 0.08 -1.15 -2.77 4.52 5.75 -1.26 -5.09 116.55 116.65 1by6 n ASP 46 Ca 0.35 -1.66 -0.01 0.00 -0.01 0.00 0.00 54.79 53.46 1by6 n ASP 46 Cb 0.66 1.00 0.02 0.00 -1.03 0.00 0.00 41.12 41.76 1by6 n ASP 46 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1by6 s GLU 47 N 0.03 0.32 0.00 0.11 2.56 -1.26 -5.03 118.70 115.44 1by6 s GLU 47 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 54.97 54.78 1by6 s GLU 47 Cb 0.07 0.01 0.00 0.00 2.00 0.00 0.00 34.13 36.21 1by6 s GLU 47 CO -0.02 -0.43 0.00 1.17 -0.56 0.00 0.00 175.26 175.42 1by6 n LYS 48 N 3.26 0.00 -2.54 4.30 4.81 -1.26 -4.96 118.16 121.76 1by6 n LYS 48 Ca 0.09 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.45 1by6 n LYS 48 Cb 0.63 -0.14 0.04 0.00 0.02 0.00 0.00 35.03 35.58 1by6 n LYS 48 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1by6 n LEU 49 N -1.42 -3.55 -3.68 3.14 0.00 -1.26 -4.03 117.00 106.20 1by6 n LEU 49 Ca 0.00 -0.35 -0.22 0.00 0.00 0.00 0.00 56.01 55.44 1by6 n LEU 49 Cb 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 43.42 41.53 1by6 n LEU 49 CO 0.00 0.11 -0.17 0.54 0.00 0.00 0.00 177.39 177.87 1by6 n ARG 50 N -2.49 -1.55 -0.01 1.96 3.00 -1.26 -4.82 116.66 111.49 1by6 n ARG 50 Ca -0.08 0.90 -0.02 0.00 -0.01 0.00 0.00 57.85 58.63 1by6 n ARG 50 Cb 0.57 -2.74 0.23 0.00 0.00 0.00 0.00 32.46 30.53 1by6 n ARG 50 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1by6 h ASP 51 N -0.04 0.54 -1.10 0.55 3.58 -2.00 -2.51 116.42 115.43 1by6 h ASP 51 Ca -0.55 -0.14 0.32 0.00 0.42 0.00 0.00 57.03 57.08 1by6 h ASP 51 Cb 1.35 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 42.21 1by6 h ASP 51 CO 0.35 0.68 0.98 0.17 -2.88 0.00 0.00 179.24 178.54 1by6 h LEU 52 N 0.51 0.00 0.00 2.28 -0.00 -1.95 -3.24 115.31 112.92 1by6 h LEU 52 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1by6 h LEU 52 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 1by6 h LEU 52 CO 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.47 1by6 n TYR 53 N -3.73 0.00 -1.17 0.17 9.36 -0.95 -3.00 117.16 117.84 1by6 n TYR 53 Ca 0.24 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 61.10 1by6 n TYR 53 Cb 1.33 -0.34 -0.09 0.00 -0.63 0.00 0.00 39.34 39.61 1by6 n TYR 53 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1by6 n SER 54 N -2.69 1.89 -0.06 2.98 7.64 -1.23 -4.31 113.62 117.85 1by6 n SER 54 Ca 0.00 -2.59 0.02 0.00 1.01 0.00 0.00 58.87 57.31 1by6 n SER 54 Cb 0.00 -1.13 0.03 0.00 -1.01 0.00 0.00 64.21 62.10 1by6 n SER 54 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1by6 n LYS 55 N 7.78 1.77 0.02 1.43 5.02 -1.16 -4.82 118.16 128.19 1by6 n LYS 55 Ca 0.46 -1.48 0.00 0.00 -2.02 0.00 0.00 58.31 55.27 1by6 n LYS 55 Cb 0.43 -0.96 0.00 0.00 -0.02 0.00 0.00 35.03 34.48 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 -0.55 -0.23 0.07 4.39 7.64 -1.26 -4.89 113.62 118.79 1by6 n SER 56 Ca 0.03 0.08 0.21 0.00 1.01 0.00 0.00 58.87 60.21 1by6 n SER 56 Cb 0.42 0.41 0.73 0.00 -1.01 0.00 0.00 64.21 64.76 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 0.00 0.37 -2.29 0.44 1.03 -1.92 -2.29 112.91 108.25 1by6 h THR 57 Ca 0.00 0.00 -0.66 0.00 -0.01 0.00 0.00 66.41 65.74 1by6 h THR 57 Cb 0.00 0.62 -0.37 0.00 -1.07 0.00 0.00 68.15 67.33 1by6 h THR 57 CO 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 175.52 175.42 1by6 n ALA 58 N -2.35 5.09 0.00 0.00 0.00 -1.26 -4.64 120.51 117.35 1by6 n ALA 58 Ca 0.08 -4.69 0.00 0.00 0.00 0.00 0.00 53.44 48.84 1by6 n ALA 58 Cb 0.66 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.09 1.46 -2.49 0.00 0.00 -0.86 -4.56 120.51 113.97 1by6 n ALA 59 Ca 0.36 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.56 1by6 n ALA 59 Cb 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.73 1by6 n ALA 59 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1by6 s MET 60 N -1.11 2.23 0.00 0.00 0.00 -1.26 -4.41 119.30 114.75 1by6 s MET 60 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 55.69 53.96 1by6 s MET 60 Cb 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 34.83 32.80 1by6 s MET 60 CO 0.00 0.02 0.00 0.45 0.00 0.00 0.00 175.02 175.49 1by6 n SER 61 N -1.14 0.00 -3.15 1.11 2.88 -1.26 -4.53 113.62 107.53 1by6 n SER 61 Ca -0.02 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.51 1by6 n SER 61 Cb 0.63 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.08 1by6 n SER 61 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1by6 s THR 62 N 0.00 -0.96 -0.78 2.46 2.01 -1.26 -5.01 115.64 112.10 1by6 s THR 62 Ca 0.00 -0.21 -0.12 0.00 0.31 0.00 0.00 61.69 61.67 1by6 s THR 62 Cb 0.00 -0.04 -0.23 0.00 0.01 0.00 0.00 72.50 72.24 1by6 s THR 62 CO 0.00 -0.04 1.99 0.00 -0.69 0.00 0.00 174.62 175.89 1by6 n TYR 63 N 4.18 0.32 -3.57 4.92 4.19 -1.26 -3.28 117.16 122.65 1by6 n TYR 63 Ca 0.12 -0.02 -0.28 0.00 3.31 0.00 0.00 57.90 61.04 1by6 n TYR 63 Cb 0.56 -1.11 0.01 0.00 0.49 0.00 0.00 39.34 39.29 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 6.30 -3.16 -2.72 2.97 -1.04 -1.26 -3.77 114.28 111.59 1by6 n THR 64 Ca 0.49 0.02 -0.04 0.00 -2.04 0.00 0.00 64.05 62.47 1by6 n THR 64 Cb 0.29 -2.85 -0.04 0.00 -1.82 0.00 0.00 70.33 65.92 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 -1.07 -4.09 2.68 3.41 0.00 -1.21 -5.01 105.19 99.91 1by6 n GLY 65 Ca -0.23 1.38 -0.05 0.00 0.00 0.00 0.00 46.02 47.13 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 1.85 0.00 -3.21 -0.61 3.06 -1.25 -5.13 119.36 114.07 1by6 n ILE 66 Ca -0.32 -0.90 0.04 0.00 -2.50 0.00 0.00 62.75 59.07 1by6 n ILE 66 Cb 0.50 0.93 -0.03 0.00 0.54 0.00 0.00 39.64 41.58 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 0.09 -0.30 0.04 9.51 -0.71 -1.26 -4.72 117.98 120.62 1by6 s PHE 67 Ca 0.14 0.44 -0.18 0.00 -1.04 0.00 0.00 56.93 56.29 1by6 s PHE 67 Cb 0.22 0.15 0.04 0.00 -1.21 0.00 0.00 43.02 42.22 1by6 s PHE 67 CO -0.09 -0.16 0.42 0.95 -1.34 0.00 0.00 175.22 175.00 1by6 s THR 68 N 2.48 0.05 0.32 -4.49 -4.23 -1.26 -5.07 115.64 103.45 1by6 s THR 68 Ca -0.02 -0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 1by6 s THR 68 Cb -0.05 -0.93 0.00 0.00 1.34 0.00 0.00 72.50 72.86 1by6 s THR 68 CO -0.14 -0.24 0.00 -0.67 -0.54 0.00 0.00 174.62 173.03 1by6 n ASP 69 N 0.58 -6.01 0.00 3.99 2.03 -1.26 -4.46 116.55 111.41 1by6 n ASP 69 Ca -0.19 0.67 0.00 0.00 0.52 0.00 0.00 54.79 55.79 1by6 n ASP 69 Cb 0.59 -3.65 0.00 0.00 -0.72 0.00 0.00 41.12 37.34 1by6 n ASP 69 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1by6 n GLN 70 N -3.52 0.00 -1.01 -0.67 -0.06 -1.26 -4.02 117.38 106.83 1by6 n GLN 70 Ca -0.02 0.00 -0.30 0.00 -2.00 0.00 0.00 57.00 54.67 1by6 n GLN 70 Cb 0.63 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.78 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 3.03 -2.68 1.69 0.31 -1.26 -4.01 118.33 115.41 1by6 n VAL 71 Ca 0.00 -1.91 -0.05 0.00 -0.01 0.00 0.00 64.34 62.37 1by6 n VAL 71 Cb 0.00 -2.33 0.10 0.00 -0.91 0.00 0.00 33.84 30.70 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 4.42 -1.63 -2.66 7.52 0.00 -1.26 -4.84 117.00 118.55 1by6 n LEU 72 Ca 0.56 -3.07 -0.03 0.00 0.00 0.00 0.00 56.01 53.47 1by6 n LEU 72 Cb 0.20 0.19 0.10 0.00 0.00 0.00 0.00 43.42 43.92 1by6 n LEU 72 CO 0.79 1.72 0.71 -1.54 0.00 0.00 0.00 177.39 179.07 1by6 n SER 73 N -0.77 -1.17 -0.02 1.96 3.41 -1.26 -4.98 113.62 110.80 1by6 n SER 73 Ca -0.10 -1.72 -0.05 0.00 -0.26 0.00 0.00 58.87 56.74 1by6 n SER 73 Cb 0.81 0.94 -0.02 0.00 -0.26 0.00 0.00 64.21 65.68 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 0.86 0.52 -0.18 -3.33 0.31 -1.26 -4.50 118.33 110.75 1by6 n VAL 74 Ca -0.04 0.02 -0.01 0.00 -0.01 0.00 0.00 64.34 64.30 1by6 n VAL 74 Cb 0.74 -1.61 0.06 0.00 -0.91 0.00 0.00 33.84 32.13 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 -0.20 -0.37 -0.04 7.52 7.12 -1.97 0.72 115.31 128.09 1by6 h LEU 75 Ca -0.11 0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.05 1by6 h LEU 75 Cb 0.92 0.29 0.00 0.00 -0.53 0.00 0.00 40.66 41.34 1by6 h LEU 75 CO -0.07 -0.14 0.00 1.17 -0.13 0.00 0.00 178.44 179.28 1by6 n LYS 76 N -5.32 0.01 -1.89 1.25 4.81 -1.26 -2.52 118.16 113.23 1by6 n LYS 76 Ca 0.06 0.30 -0.02 0.00 -0.87 0.00 0.00 58.31 57.79 1by6 n LYS 76 Cb 0.30 -1.52 0.06 0.00 0.02 0.00 0.00 35.03 33.90 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 -0.26 2.87 0.88 3.14 0.00 0.20 -4.81 105.19 107.20 1by6 n GLY 77 Ca 0.03 -1.31 -0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.35 0.03 0.00 1.61 4.07 0.17 -4.92 120.64 121.25 1by6 n GLU 78 Ca 0.15 -0.07 0.14 0.00 -0.06 0.00 0.00 57.16 57.32 1by6 n GLU 78 Cb 0.93 0.34 0.51 0.00 -0.06 0.00 0.00 31.44 33.16 1by6 n GLU 78 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22