#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qld n GLY 21 N 0.00 -0.66 3.93 3.03 0.00 -1.26 -5.15 105.19 105.08 1qld n GLY 21 Ca 0.00 0.49 -0.26 0.00 0.00 0.00 0.00 46.02 46.25 1qld n GLY 21 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qld s ASN 22 N -0.57 6.37 0.21 1.61 -0.87 -1.26 -5.11 114.94 115.31 1qld s ASN 22 Ca 0.20 0.40 0.11 0.00 -1.57 0.00 0.00 52.86 52.00 1qld s ASN 22 Cb 0.28 -2.01 -0.04 0.00 -0.02 0.00 0.00 41.25 39.46 1qld s ASN 22 CO -0.14 -0.10 -0.22 -1.10 -2.57 0.00 0.00 177.10 172.98 1qld s GLN 23 N -3.58 1.61 0.41 -0.60 -0.21 -1.26 -4.94 119.66 111.09 1qld s GLN 23 Ca 0.39 -1.53 0.04 0.00 0.02 0.00 0.00 55.36 54.28 1qld s GLN 23 Cb -0.11 -1.87 -0.05 0.00 1.00 0.00 0.00 33.01 31.98 1qld s GLN 23 CO 0.30 0.39 0.04 -0.65 -2.12 0.00 0.00 175.29 173.25 1qld s GLN 24 N -2.82 1.93 -0.76 2.91 -0.21 -0.79 -3.15 119.66 116.77 1qld s GLN 24 Ca 0.23 -2.13 0.01 0.00 0.02 0.00 0.00 55.36 53.48 1qld s GLN 24 Cb -0.08 -1.28 0.19 0.00 1.00 0.00 0.00 33.01 32.84 1qld s GLN 24 CO 0.11 -0.21 0.59 0.00 -2.12 0.00 0.00 175.29 173.66 1qld n ASN 26 N 2.42 1.58 -4.55 0.00 2.85 0.17 -2.77 115.26 114.95 1qld n ASN 26 Ca 0.18 -1.65 -0.41 0.00 -0.11 0.00 0.00 54.58 52.59 1qld n ASN 26 Cb 0.36 -1.63 -0.03 0.00 1.24 0.00 0.00 39.78 39.72 1qld n ASN 26 CO 0.00 0.00 0.00 0.86 -2.11 0.00 0.00 177.26 176.01 1qld s TRP 27 N 14.76 2.22 0.00 1.20 -0.00 0.95 -2.67 118.94 135.40 1qld s TRP 27 Ca 0.92 0.12 0.00 0.00 -0.00 0.00 0.00 56.10 57.14 1qld s TRP 27 Cb -0.14 -4.54 0.00 0.00 -0.00 0.00 0.00 33.47 28.79 1qld s TRP 27 CO 0.12 -2.07 0.00 0.66 -0.00 0.00 0.00 176.95 175.66 1qld n TYR 28 N 9.76 -1.09 0.00 5.86 4.01 -1.26 0.15 117.16 134.59 1qld n TYR 28 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1qld n TYR 28 Cb 0.49 -0.59 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 1qld n TYR 28 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qld n GLY 29 N -0.25 3.71 3.35 2.72 0.00 -1.26 -5.03 105.19 108.43 1qld n GLY 29 Ca 0.00 -0.89 -0.28 0.00 0.00 0.00 0.00 46.02 44.85 1qld n GLY 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qld n THR 30 N 0.00 0.00 -4.17 2.61 -1.04 0.39 -5.02 114.28 107.05 1qld n THR 30 Ca 0.00 -0.59 -0.21 0.00 -2.04 0.00 0.00 64.05 61.21 1qld n THR 30 Cb 0.00 -1.32 -0.16 0.00 -1.82 0.00 0.00 70.33 67.02 1qld n THR 30 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1qld s LEU 31 N 0.00 1.31 0.05 -4.42 2.01 -1.26 -0.04 118.68 116.33 1qld s LEU 31 Ca 0.67 -0.15 0.03 0.00 0.01 0.00 0.00 54.13 54.69 1qld s LEU 31 Cb -0.05 -0.51 -0.02 0.00 0.01 0.00 0.00 46.19 45.62 1qld s LEU 31 CO 0.50 -0.06 -0.10 -0.31 1.01 0.00 0.00 176.35 177.40 1qld s TYR 32 N 0.99 0.83 0.25 0.29 2.02 -1.11 -4.94 117.35 115.69 1qld s TYR 32 Ca -0.10 -0.46 -0.30 0.00 -0.37 0.00 0.00 57.07 55.85 1qld s TYR 32 Cb -0.14 -0.49 -0.09 0.00 -0.40 0.00 0.00 41.96 40.84 1qld s TYR 32 CO -0.00 -0.04 1.07 -1.25 -1.57 0.00 0.00 175.55 173.76 1qld s PRO 33 N -1.52 4.67 0.04 -1.71 0.04 -1.26 -0.21 135.00 135.06 1qld s PRO 33 Ca -0.07 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 1qld s PRO 33 Cb -0.09 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1qld s PRO 33 CO 0.01 0.24 0.98 -1.17 0.04 0.00 0.00 177.00 177.10 1qld s LEU 34 N -1.20 4.42 -1.09 -3.56 2.96 -1.19 -0.60 118.68 118.42 1qld s LEU 34 Ca 0.45 1.72 -0.13 0.00 -0.22 0.00 0.00 54.13 55.95 1qld s LEU 34 Cb -0.30 -3.58 0.21 0.00 0.50 0.00 0.00 46.19 43.01 1qld s LEU 34 CO 0.38 -0.19 1.21 0.00 -1.32 0.00 0.00 176.35 176.43 1qld h VAL 36 N 4.52 1.22 -0.45 0.00 2.07 -1.89 1.34 116.25 123.06 1qld h VAL 36 Ca 0.22 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 1qld h VAL 36 Cb 0.91 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1qld h VAL 36 CO 1.09 0.23 -0.11 0.74 0.02 0.00 0.00 177.57 179.54 1qld h THR 37 N 1.25 1.26 -0.40 2.57 2.02 -1.98 0.23 112.91 117.86 1qld h THR 37 Ca 0.35 -1.19 -0.05 0.00 0.77 0.00 0.00 66.41 66.29 1qld h THR 37 Cb -0.10 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1qld h THR 37 CO -0.09 0.41 0.06 0.41 0.37 0.00 0.00 175.52 176.68 1qld n THR 38 N -4.16 1.84 0.00 3.16 -1.04 -0.30 -4.13 114.28 109.65 1qld n THR 38 Ca 0.01 -0.93 0.00 0.00 -2.04 0.00 0.00 64.05 61.09 1qld n THR 38 Cb 0.37 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 1qld n THR 38 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1qld n THR 39 N 0.25 1.72 -0.45 12.58 5.66 0.45 -1.21 114.28 133.28 1qld n THR 39 Ca 0.21 0.47 -0.11 0.00 -3.05 0.00 0.00 64.05 61.56 1qld n THR 39 Cb 0.91 -1.47 0.04 0.00 -1.55 0.00 0.00 70.33 68.26 1qld n THR 39 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1qld n ASN 40 N -1.43 5.18 0.00 1.09 2.85 -1.26 -4.10 115.26 117.59 1qld n ASN 40 Ca 0.00 -2.79 0.00 0.00 -0.11 0.00 0.00 54.58 51.68 1qld n ASN 40 Cb 0.04 -0.92 0.00 0.00 1.24 0.00 0.00 39.78 40.14 1qld n ASN 40 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qld n GLY 41 N 0.39 0.68 3.79 8.20 0.00 -0.35 -5.05 105.19 112.84 1qld n GLY 41 Ca 0.22 -2.15 -0.36 0.00 0.00 0.00 0.00 46.02 43.73 1qld n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1qld s TRP 42 N -1.00 3.61 0.25 1.61 0.52 -1.26 -2.05 118.94 120.62 1qld s TRP 42 Ca 0.00 1.75 0.04 0.00 0.02 0.00 0.00 56.10 57.91 1qld s TRP 42 Cb 0.00 -2.91 -0.02 0.00 -1.15 0.00 0.00 33.47 29.39 1qld s TRP 42 CO 0.00 0.14 0.24 0.41 0.02 0.00 0.00 176.95 177.75 1qld n GLY 43 N 0.32 3.05 2.70 0.98 0.00 -0.11 -4.87 105.19 107.27 1qld n GLY 43 Ca 0.03 -1.78 -0.23 0.00 0.00 0.00 0.00 46.02 44.04 1qld n GLY 43 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1qld s TRP 44 N -3.08 0.46 0.26 1.61 -0.11 -1.26 -1.01 118.94 115.80 1qld s TRP 44 Ca 0.28 -0.18 -0.11 0.00 1.22 0.00 0.00 56.10 57.31 1qld s TRP 44 Cb 0.01 -0.72 -0.01 0.00 -1.50 0.00 0.00 33.47 31.25 1qld s TRP 44 CO 0.20 -0.37 0.46 -2.00 -4.62 0.00 0.00 176.95 170.62 1qld s GLU 45 N 2.04 1.57 -1.27 5.86 2.12 -0.35 -4.80 118.70 123.87 1qld s GLU 45 Ca 0.03 -1.33 -0.01 0.00 0.36 0.00 0.00 54.97 54.02 1qld s GLU 45 Cb -0.14 0.46 0.00 0.00 0.26 0.00 0.00 34.13 34.71 1qld s GLU 45 CO -0.06 -0.65 0.09 -0.25 -0.54 0.00 0.00 175.26 173.86 1qld n ASP 46 N -0.49 -4.66 -1.33 -1.70 9.92 -1.26 -1.40 116.55 115.63 1qld n ASP 46 Ca -0.01 -0.06 -0.17 0.00 -0.53 0.00 0.00 54.79 54.02 1qld n ASP 46 Cb 0.62 -3.74 -0.07 0.00 -0.64 0.00 0.00 41.12 37.29 1qld n ASP 46 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1qld n GLN 47 N -2.61 -1.54 -1.06 -1.24 7.27 -1.26 -4.88 117.38 112.05 1qld n GLN 47 Ca -0.16 1.11 0.00 0.00 0.07 0.00 0.00 57.00 58.02 1qld n GLN 47 Cb 0.63 -5.51 0.00 0.00 2.41 0.00 0.00 30.24 27.76 1qld n GLN 47 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1qld n ARG 48 N -1.81 0.00 -3.48 3.69 1.74 -0.50 -5.13 116.66 111.17 1qld n ARG 48 Ca -0.17 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.54 1qld n ARG 48 Cb 0.65 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 32.02 1qld n ARG 48 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1qld s SER 49 N -0.16 6.43 -0.10 0.55 1.04 -1.26 -1.22 113.70 118.99 1qld s SER 49 Ca 0.00 0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.94 1qld s SER 49 Cb 0.00 -2.20 -0.02 0.00 0.10 0.00 0.00 66.02 63.90 1qld s SER 49 CO 0.00 0.03 -0.10 0.00 0.98 0.00 0.00 173.24 174.15 1qld s ILE 51 N -0.25 5.28 0.90 0.00 1.01 0.23 -0.93 121.20 127.42 1qld s ILE 51 Ca 0.03 0.54 -0.21 0.00 0.00 0.00 0.00 60.65 61.01 1qld s ILE 51 Cb -0.13 -3.59 -0.13 0.00 0.01 0.00 0.00 42.46 38.62 1qld s ILE 51 CO 0.03 0.50 -1.09 0.00 0.00 0.00 0.00 174.94 174.37 1qld n ALA 52 N 2.67 -3.23 -1.00 9.38 0.00 -0.87 0.13 120.51 127.59 1qld n ALA 52 Ca -0.15 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.22 1qld n ALA 52 Cb 0.53 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1qld n ALA 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qld n ARG 53 N 2.04 0.00 0.02 0.00 5.12 -1.25 -0.00 116.66 122.59 1qld n ARG 53 Ca -0.01 0.05 -0.11 0.00 -1.93 0.00 0.00 57.85 55.85 1qld n ARG 53 Cb 0.57 -0.88 -0.06 0.00 -1.16 0.00 0.00 32.46 30.94 1qld n ARG 53 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1qld h SER 54 N 0.00 -0.08 -1.18 0.55 4.64 -1.90 0.37 113.55 115.95 1qld h SER 54 Ca 0.00 0.02 0.34 0.00 -0.47 0.00 0.00 61.79 61.68 1qld h SER 54 Cb 0.00 0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.09 1qld h SER 54 CO 0.00 -0.03 0.85 0.74 -0.87 0.00 0.00 176.83 177.52 1qld h THR 55 N -0.01 0.41 0.00 2.95 2.02 -1.87 0.24 112.91 116.63 1qld h THR 55 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1qld h THR 55 Cb 0.06 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1qld h THR 55 CO -0.07 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.82 1qld n ALA 57 N -1.06 0.80 -0.24 0.00 0.00 0.06 -3.75 120.51 116.32 1qld n ALA 57 Ca 0.00 -0.66 0.20 0.00 0.00 0.00 0.00 53.44 52.98 1qld n ALA 57 Cb 0.00 -0.15 0.33 0.00 0.00 0.00 0.00 19.45 19.62 1qld n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qld n ALA 58 N -3.83 0.68 -0.94 0.00 0.00 0.76 -3.20 120.51 113.97 1qld n ALA 58 Ca -0.27 0.39 -0.36 0.00 0.00 0.00 0.00 53.44 53.20 1qld n ALA 58 Cb 0.59 -0.50 0.06 0.00 0.00 0.00 0.00 19.45 19.60 1qld n ALA 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1qld n GLN 59 N -3.47 -0.14 -1.42 0.00 6.02 -0.80 -4.92 117.38 112.66 1qld n GLN 59 Ca 0.19 -0.03 -0.29 0.00 -0.01 0.00 0.00 57.00 56.86 1qld n GLN 59 Cb 0.76 -1.20 0.18 0.00 1.02 0.00 0.00 30.24 31.01 1qld n GLN 59 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1qld s PRO 60 N -2.39 0.21 0.55 -1.09 0.04 -1.26 -4.23 135.00 126.84 1qld s PRO 60 Ca 0.43 0.08 -0.15 0.00 0.04 0.00 0.00 61.00 61.41 1qld s PRO 60 Cb -0.14 -1.75 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 1qld s PRO 60 CO 0.77 -2.78 1.00 0.00 0.04 0.00 0.00 177.00 176.03 1qld s ALA 61 N -3.26 3.07 -1.61 8.56 0.00 -1.26 0.91 121.76 128.17 1qld s ALA 61 Ca 0.68 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1qld s ALA 61 Cb -0.12 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1qld s ALA 61 CO 0.55 -0.41 0.73 -0.35 0.00 0.00 0.00 175.76 176.28 1qld n PRO 62 N -2.00 0.91 -1.31 0.00 -0.04 -1.26 -5.05 135.00 126.25 1qld n PRO 62 Ca 0.06 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.23 1qld n PRO 62 Cb 0.54 -1.18 0.12 0.00 -0.04 0.00 0.00 33.50 32.94 1qld n PRO 62 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1qld s PHE 63 N -1.61 2.48 -5.00 0.54 0.08 0.26 -4.81 117.98 109.93 1qld s PHE 63 Ca 0.00 1.24 0.00 0.00 0.12 0.00 0.00 56.93 58.29 1qld s PHE 63 Cb 0.00 -3.14 0.00 0.00 -0.57 0.00 0.00 43.02 39.31 1qld s PHE 63 CO 0.00 -2.18 0.00 0.41 -0.10 0.00 0.00 175.22 173.35 1qld n GLY 64 N -1.42 0.74 3.69 4.36 0.00 -1.09 -4.50 105.19 106.97 1qld n GLY 64 Ca 0.07 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1qld n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qld s ILE 65 N -2.42 4.18 0.54 -0.61 1.09 -1.20 0.44 121.20 123.22 1qld s ILE 65 Ca 0.00 1.52 0.06 0.00 -1.10 0.00 0.00 60.65 61.12 1qld s ILE 65 Cb 0.00 -3.97 0.04 0.00 -1.06 0.00 0.00 42.46 37.46 1qld s ILE 65 CO 0.00 0.01 0.40 -0.69 -0.10 0.00 0.00 174.94 174.56 1qld s VAL 66 N 2.15 1.69 0.00 2.92 1.01 -0.78 -4.68 120.40 122.70 1qld s VAL 66 Ca 0.57 -1.49 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1qld s VAL 66 Cb -0.26 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1qld s VAL 66 CO 0.23 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1qld n GLY 67 N -1.75 0.34 3.02 4.51 0.00 -1.26 -1.89 105.19 108.16 1qld n GLY 67 Ca -0.02 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 1qld n GLY 67 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qld s SER 68 N 0.00 5.06 0.00 1.61 0.15 -1.26 -5.05 113.70 114.21 1qld s SER 68 Ca 0.00 -3.26 0.31 0.00 0.70 0.00 0.00 55.95 53.70 1qld s SER 68 Cb 0.00 -1.77 1.76 0.00 -1.71 0.00 0.00 66.02 64.30 1qld s SER 68 CO 0.00 -0.24 2.14 0.61 1.20 0.00 0.00 173.24 176.95