#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 0.79 -0.01 0.00 1.01 -1.26 -4.91 120.40 116.02 1by6 s VAL 45 Ca 0.00 -2.47 0.01 0.00 0.00 0.00 0.00 61.98 59.53 1by6 s VAL 45 Cb 0.00 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 1by6 s VAL 45 CO 0.00 -1.04 0.01 -0.67 0.00 0.00 0.00 175.10 173.40 1by6 n ASP 46 N 3.34 4.69 -0.04 3.32 -0.08 -1.26 -4.79 116.55 121.74 1by6 n ASP 46 Ca 0.17 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.43 1by6 n ASP 46 Cb 0.40 0.71 -0.02 0.00 2.34 0.00 0.00 41.12 44.55 1by6 n ASP 46 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1by6 h GLU 47 N 0.00 -0.04 -4.83 -0.67 4.57 -2.06 -3.47 114.58 108.08 1by6 h GLU 47 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1by6 h GLU 47 Cb 0.73 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 1by6 h GLU 47 CO 0.00 -0.03 -0.55 1.17 -1.18 0.00 0.00 179.01 178.42 1by6 n LYS 48 N -3.22 -2.27 -0.23 1.92 0.00 -1.26 -4.85 118.16 108.24 1by6 n LYS 48 Ca -0.00 2.02 -0.09 0.00 0.00 0.00 0.00 58.31 60.24 1by6 n LYS 48 Cb 0.05 -4.82 -0.05 0.00 0.00 0.00 0.00 35.03 30.21 1by6 n LYS 48 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1by6 h LEU 49 N 1.93 -1.62 -7.67 3.14 6.46 -2.02 -3.13 115.31 112.40 1by6 h LEU 49 Ca 0.00 0.26 -0.76 0.00 -0.12 0.00 0.00 57.88 57.26 1by6 h LEU 49 Cb 0.54 0.73 -0.30 0.00 -0.73 0.00 0.00 40.66 40.91 1by6 h LEU 49 CO 0.14 -0.33 0.02 -0.60 -0.62 0.00 0.00 178.44 177.05 1by6 s ARG 50 N -5.78 3.41 0.00 1.25 3.52 -1.26 -4.80 118.95 115.29 1by6 s ARG 50 Ca -0.14 -2.68 0.15 0.00 -0.13 0.00 0.00 55.73 52.93 1by6 s ARG 50 Cb 0.13 -4.23 0.20 0.00 -1.56 0.00 0.00 34.95 29.49 1by6 s ARG 50 CO 0.65 -1.25 1.08 -3.47 -0.81 0.00 0.00 175.30 171.50 1by6 n ASP 51 N 3.49 2.52 -0.27 -2.12 2.03 -1.18 -4.54 116.55 116.48 1by6 n ASP 51 Ca 0.15 -1.73 0.27 0.00 0.52 0.00 0.00 54.79 54.00 1by6 n ASP 51 Cb 0.43 -0.09 0.63 0.00 -0.72 0.00 0.00 41.12 41.37 1by6 n ASP 51 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1by6 h LEU 52 N 2.86 0.20 -0.95 -2.67 -0.00 -1.90 -0.75 115.31 112.11 1by6 h LEU 52 Ca 0.00 0.03 0.27 0.00 -0.00 0.00 0.00 57.88 58.18 1by6 h LEU 52 Cb 0.67 -0.00 -0.17 0.00 -0.00 0.00 0.00 40.66 41.16 1by6 h LEU 52 CO 0.00 0.05 0.12 0.22 -0.00 0.00 0.00 178.44 178.84 1by6 h TYR 53 N 0.19 0.13 -0.62 0.17 3.20 -1.97 1.33 116.97 119.40 1by6 h TYR 53 Ca 0.52 0.06 0.03 0.00 3.14 0.00 0.00 58.73 62.49 1by6 h TYR 53 Cb 1.70 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 40.03 1by6 h TYR 53 CO -0.00 -0.38 0.37 0.77 -1.64 0.00 0.00 178.16 177.29 1by6 h SER 54 N 0.06 0.60 -2.08 -2.11 0.02 -1.50 -3.30 113.55 105.24 1by6 h SER 54 Ca 0.60 0.01 -0.52 0.00 -0.84 0.00 0.00 61.79 61.04 1by6 h SER 54 Cb 1.27 -0.12 -0.40 0.00 0.14 0.00 0.00 62.40 63.29 1by6 h SER 54 CO -0.83 0.42 -1.03 0.29 -1.14 0.00 0.00 176.83 174.53 1by6 n LYS 55 N -4.74 1.58 0.04 3.45 5.02 0.24 -4.75 118.16 119.00 1by6 n LYS 55 Ca 0.06 -3.78 0.00 0.00 -2.02 0.00 0.00 58.31 52.57 1by6 n LYS 55 Cb 0.09 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 1by6 n LYS 55 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1by6 n SER 56 N 0.25 0.06 -0.24 4.39 3.41 0.39 -4.89 113.62 116.99 1by6 n SER 56 Ca 0.26 0.15 0.07 0.00 -0.26 0.00 0.00 58.87 59.10 1by6 n SER 56 Cb 0.57 0.08 0.11 0.00 -0.26 0.00 0.00 64.21 64.72 1by6 n SER 56 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1by6 n THR 57 N -2.95 1.43 -1.96 6.66 5.66 -1.26 -4.68 114.28 117.17 1by6 n THR 57 Ca 0.00 -1.79 -0.42 0.00 -3.05 0.00 0.00 64.05 58.79 1by6 n THR 57 Cb 0.09 -0.04 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 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 -1.04 5.30 -3.46 1.79 0.00 -1.26 -4.36 120.51 117.49 1by6 n ALA 58 Ca 0.12 -3.98 -0.22 0.00 0.00 0.00 0.00 53.44 49.36 1by6 n ALA 58 Cb 0.67 -3.41 0.07 0.00 0.00 0.00 0.00 19.45 16.78 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 5.79 -1.17 -1.50 0.00 0.00 -1.26 -4.73 120.51 117.64 1by6 n ALA 59 Ca 0.49 0.37 -0.31 0.00 0.00 0.00 0.00 53.44 53.98 1by6 n ALA 59 Cb 0.39 -4.98 -0.18 0.00 0.00 0.00 0.00 19.45 14.68 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 -4.55 0.07 0.00 0.00 1.56 -1.26 -4.26 117.12 108.67 1by6 n MET 60 Ca -0.00 -0.04 0.00 0.00 -0.27 0.00 0.00 57.70 57.39 1by6 n MET 60 Cb 0.56 -1.46 0.00 0.00 2.15 0.00 0.00 33.22 34.47 1by6 n MET 60 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1by6 n SER 61 N 8.91 0.00 -3.26 6.12 7.64 -1.26 -3.26 113.62 128.51 1by6 n SER 61 Ca 0.65 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 60.34 1by6 n SER 61 Cb 0.12 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.25 1by6 n SER 61 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1by6 s THR 62 N 0.00 -0.19 -0.24 0.44 2.01 -1.26 -5.09 115.64 111.32 1by6 s THR 62 Ca 0.00 -1.67 -0.03 0.00 0.31 0.00 0.00 61.69 60.30 1by6 s THR 62 Cb 0.00 -0.78 0.10 0.00 0.01 0.00 0.00 72.50 71.83 1by6 s THR 62 CO 0.00 -0.74 0.20 -0.47 -0.69 0.00 0.00 174.62 172.92 1by6 s TYR 63 N 0.76 -0.13 -0.15 4.92 6.14 -1.20 -4.88 117.35 122.81 1by6 s TYR 63 Ca 0.26 -0.17 -0.13 0.00 0.64 0.00 0.00 57.07 57.67 1by6 s TYR 63 Cb -0.05 -0.54 -0.04 0.00 0.42 0.00 0.00 41.96 41.74 1by6 s TYR 63 CO -0.09 -0.71 -0.25 2.41 0.64 0.00 0.00 175.55 177.55 1by6 n THR 64 N 5.30 1.41 0.03 4.34 -1.04 -1.26 -4.79 114.28 118.26 1by6 n THR 64 Ca -0.05 0.19 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 1by6 n THR 64 Cb 0.47 -2.34 0.00 0.00 -1.82 0.00 0.00 70.33 66.64 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 1.54 0.02 2.93 3.41 0.00 -1.26 -5.04 105.19 106.78 1by6 n GLY 65 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 1by6 n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1by6 s ILE 66 N -1.44 -0.80 -0.18 -0.61 1.01 -1.26 -5.11 121.20 112.81 1by6 s ILE 66 Ca 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 1by6 s ILE 66 Cb 0.00 -0.19 -0.02 0.00 0.01 0.00 0.00 42.46 42.26 1by6 s ILE 66 CO 0.00 -0.18 -0.06 0.72 0.00 0.00 0.00 174.94 175.42 1by6 s PHE 67 N 1.32 2.95 -0.61 3.97 -0.71 -1.26 -4.67 117.98 118.96 1by6 s PHE 67 Ca 0.22 -0.68 -0.00 0.00 -1.04 0.00 0.00 56.93 55.43 1by6 s PHE 67 Cb -0.04 -2.01 -0.00 0.00 -1.21 0.00 0.00 43.02 39.76 1by6 s PHE 67 CO -0.06 -0.33 0.58 2.41 -1.34 0.00 0.00 175.22 176.47 1by6 n THR 68 N 4.18 -8.43 -0.41 -4.49 -1.04 -1.26 -4.67 114.28 98.16 1by6 n THR 68 Ca -0.18 -0.24 0.34 0.00 -2.04 0.00 0.00 64.05 61.94 1by6 n THR 68 Cb 0.52 -6.28 0.52 0.00 -1.82 0.00 0.00 70.33 63.27 1by6 n THR 68 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1by6 n ASP 69 N -1.68 0.00 -0.40 8.00 8.00 -1.26 -0.91 116.55 128.29 1by6 n ASP 69 Ca -0.00 0.70 0.34 0.00 0.71 0.00 0.00 54.79 56.54 1by6 n ASP 69 Cb 0.50 -0.32 0.65 0.00 -0.02 0.00 0.00 41.12 41.94 1by6 n ASP 69 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1by6 h GLN 70 N 0.00 0.15 -0.52 -1.24 1.08 -2.00 1.20 115.11 113.79 1by6 h GLN 70 Ca 0.60 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.79 1by6 h GLN 70 Cb 2.69 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 30.08 1by6 h GLN 70 CO -0.01 0.10 0.00 0.28 -0.95 0.00 0.00 178.83 178.25 1by6 n VAL 71 N -4.48 0.82 -1.64 -0.54 0.31 -0.09 -4.08 118.33 108.64 1by6 n VAL 71 Ca 0.31 -0.58 -0.28 0.00 -0.01 0.00 0.00 64.34 63.79 1by6 n VAL 71 Cb 1.27 0.04 0.07 0.00 -0.91 0.00 0.00 33.84 34.31 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 0.52 6.20 -1.60 7.52 7.94 0.41 -4.45 117.00 133.55 1by6 n LEU 72 Ca 0.13 -4.43 -0.02 0.00 -1.11 0.00 0.00 56.01 50.58 1by6 n LEU 72 Cb 0.46 -0.67 0.00 0.00 0.53 0.00 0.00 43.42 43.74 1by6 n LEU 72 CO 0.11 1.72 0.27 -1.54 -1.11 0.00 0.00 177.39 176.85 1by6 n SER 73 N -0.85 -0.22 -0.05 1.96 3.41 -1.26 -4.93 113.62 111.69 1by6 n SER 73 Ca 0.52 -2.04 -0.07 0.00 -0.26 0.00 0.00 58.87 57.03 1by6 n SER 73 Cb 0.85 0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.86 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 -1.02 -3.33 0.31 -1.26 -4.44 118.33 108.99 1by6 n VAL 74 Ca -0.13 -0.21 -0.16 0.00 -0.01 0.00 0.00 64.34 63.84 1by6 n VAL 74 Cb 0.87 -0.89 -0.05 0.00 -0.91 0.00 0.00 33.84 32.86 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 -2.83 5.98 -0.04 7.52 -0.00 -1.26 -3.96 117.00 122.41 1by6 n LEU 75 Ca -0.18 -3.34 0.00 0.00 -0.00 0.00 0.00 56.01 52.50 1by6 n LEU 75 Cb 0.68 -1.21 0.01 0.00 -0.00 0.00 0.00 43.42 42.90 1by6 n LEU 75 CO 0.09 1.45 0.45 1.17 -0.00 0.00 0.00 177.39 180.55 1by6 n LYS 76 N 1.22 2.05 -0.93 1.96 3.00 -1.26 -5.00 118.16 119.19 1by6 n LYS 76 Ca 0.33 -1.30 0.00 0.00 -0.00 0.00 0.00 58.31 57.35 1by6 n LYS 76 Cb 0.64 -1.02 0.00 0.00 0.00 0.00 0.00 35.03 34.65 1by6 n LYS 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1by6 n GLY 77 N -0.31 0.78 1.79 3.14 0.00 -1.25 -4.87 105.19 104.46 1by6 n GLY 77 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1by6 n GLY 77 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1by6 n GLU 78 N -0.88 -3.93 0.00 1.61 0.28 -1.26 -5.17 120.64 111.29 1by6 n GLU 78 Ca 0.00 2.95 0.00 0.00 -0.16 0.00 0.00 57.16 59.95 1by6 n GLU 78 Cb 0.31 -3.31 0.00 0.00 1.43 0.00 0.00 31.44 29.87 1by6 n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06