#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rel n GLN 2 N 0.00 -0.25 -3.90 0.00 6.02 -1.26 -5.07 117.38 112.92 2rel n GLN 2 Ca 0.00 -1.54 -0.34 0.00 -0.01 0.00 0.00 57.00 55.11 2rel n GLN 2 Cb 0.00 -0.60 -0.05 0.00 1.02 0.00 0.00 30.24 30.61 2rel n GLN 2 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2rel s GLU 3 N -4.41 3.44 -1.36 -1.09 2.02 -1.26 -5.00 118.70 111.05 2rel s GLU 3 Ca 0.44 -0.29 -0.15 0.00 0.02 0.00 0.00 54.97 54.99 2rel s GLU 3 Cb -0.02 -3.11 0.01 0.00 0.10 0.00 0.00 34.13 31.10 2rel s GLU 3 CO 0.30 0.69 2.21 -0.35 0.02 0.00 0.00 175.26 178.13 2rel n PRO 4 N 1.11 2.68 0.00 0.39 -0.04 -1.26 -4.86 135.00 133.02 2rel n PRO 4 Ca -0.12 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 60.87 2rel n PRO 4 Cb 0.53 -3.21 0.00 0.00 -0.04 0.00 0.00 33.50 30.78 2rel n PRO 4 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2rel n VAL 5 N 5.17 0.00 -3.55 0.52 0.31 -1.26 -4.47 118.33 115.05 2rel n VAL 5 Ca 0.53 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.65 2rel n VAL 5 Cb 0.38 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.28 2rel n VAL 5 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2rel s LYS 6 N 0.00 2.54 0.00 5.55 -0.14 -1.26 -4.92 119.74 121.50 2rel s LYS 6 Ca 0.00 -1.54 0.00 0.00 -1.36 0.00 0.00 55.97 53.07 2rel s LYS 6 Cb 0.00 -2.38 0.00 0.00 -1.68 0.00 0.00 37.83 33.77 2rel s LYS 6 CO 0.00 -0.20 0.00 0.41 -0.76 0.00 0.00 175.35 174.80 2rel n GLY 7 N -1.56 -1.28 0.00 -3.33 0.00 -1.26 -5.09 105.19 92.68 2rel n GLY 7 Ca 0.04 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2rel n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rel n PRO 8 N 0.00 2.29 -0.75 1.61 -0.04 -1.26 -4.83 135.00 132.02 2rel n PRO 8 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 2rel n PRO 8 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 2rel n PRO 8 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2rel n VAL 9 N -0.03 2.45 -2.40 0.52 0.24 -1.26 -4.87 118.33 112.98 2rel n VAL 9 Ca 0.00 -1.14 -0.01 0.00 -2.04 0.00 0.00 64.34 61.15 2rel n VAL 9 Cb 0.00 -1.53 -0.01 0.00 -1.47 0.00 0.00 33.84 30.83 2rel n VAL 9 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2rel n SER 10 N 1.27 -8.39 0.10 -1.34 2.88 -1.26 -4.90 113.62 101.98 2rel n SER 10 Ca 0.18 1.82 0.09 0.00 -1.33 0.00 0.00 58.87 59.64 2rel n SER 10 Cb 0.58 -5.29 -0.01 0.00 -0.75 0.00 0.00 64.21 58.74 2rel n SER 10 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2rel h THR 11 N 4.30 0.09 -2.20 2.46 2.02 -1.91 -3.39 112.91 114.28 2rel h THR 11 Ca -0.08 -1.18 -0.58 0.00 0.77 0.00 0.00 66.41 65.34 2rel h THR 11 Cb 0.19 1.61 -0.40 0.00 -1.74 0.00 0.00 68.15 67.81 2rel h THR 11 CO 0.00 0.05 -0.91 0.29 0.37 0.00 0.00 175.52 175.33 2rel n LYS 12 N -2.73 1.20 0.00 6.66 5.02 -1.26 -5.01 118.16 122.04 2rel n LYS 12 Ca -0.02 -3.70 0.00 0.00 -2.02 0.00 0.00 58.31 52.57 2rel n LYS 12 Cb 0.60 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 2rel n LYS 12 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2rel n PRO 13 N 1.53 0.00 0.00 1.97 -0.04 -1.26 -5.09 135.00 132.11 2rel n PRO 13 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2rel n PRO 13 Cb 0.48 -0.04 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 2rel n PRO 13 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rel n GLY 14 N 2.89 5.42 3.16 0.55 0.00 -1.26 -5.09 105.19 110.85 2rel n GLY 14 Ca 0.00 -1.30 -0.26 0.00 0.00 0.00 0.00 46.02 44.46 2rel n GLY 14 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rel s SER 15 N 1.00 2.15 0.60 1.61 0.15 -1.26 -5.03 113.70 112.93 2rel s SER 15 Ca 0.00 -0.34 -0.17 0.00 0.70 0.00 0.00 55.95 56.14 2rel s SER 15 Cb 0.00 -0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 63.87 2rel s SER 15 CO 0.00 0.19 1.11 0.00 1.20 0.00 0.00 173.24 175.74 2rel n PRO 17 N -1.87 0.95 -1.84 0.00 -0.04 -1.26 -4.91 135.00 126.03 2rel n PRO 17 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2rel n PRO 17 Cb 0.52 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 2rel n PRO 17 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2rel n ILE 18 N -0.18 -9.84 -3.72 0.52 0.00 -1.26 -5.03 119.36 99.85 2rel n ILE 18 Ca 0.00 2.86 -0.15 0.00 0.00 0.00 0.00 62.75 65.47 2rel n ILE 18 Cb 0.15 -4.48 -0.15 0.00 0.00 0.00 0.00 39.64 35.16 2rel n ILE 18 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2rel s ILE 19 N -1.02 -0.13 0.00 9.51 1.09 -1.26 -4.99 121.20 124.40 2rel s ILE 19 Ca 0.00 0.24 0.00 0.00 -1.10 0.00 0.00 60.65 59.79 2rel s ILE 19 Cb 0.00 -0.27 0.00 0.00 -1.06 0.00 0.00 42.46 41.13 2rel s ILE 19 CO 0.00 0.10 0.00 -0.11 -0.10 0.00 0.00 174.94 174.83 2rel n LEU 20 N 4.61 0.00 0.00 2.97 7.94 -1.26 -4.10 117.00 127.16 2rel n LEU 20 Ca -0.19 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.71 2rel n LEU 20 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 2rel n LEU 20 CO 0.13 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.41 2rel n ILE 21 N 0.00 0.00 -2.12 1.96 0.13 -1.26 -5.06 119.36 113.01 2rel n ILE 21 Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 62.75 61.64 2rel n ILE 21 Cb 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 39.64 38.81 2rel n ILE 21 CO 0.00 0.00 0.00 -1.14 2.80 0.00 0.00 176.55 178.21 2rel n ARG 22 N -0.47 0.22 -0.11 9.51 3.00 -1.26 -4.71 116.66 122.83 2rel n ARG 22 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 57.85 57.51 2rel n ARG 22 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 32.46 32.77 2rel n ARG 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2rel n ALA 24 N 0.15 5.82 -1.80 0.00 0.00 -1.26 -4.46 120.51 118.96 2rel n ALA 24 Ca 0.00 -4.65 0.00 0.00 0.00 0.00 0.00 53.44 48.79 2rel n ALA 24 Cb 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.37 2rel n ALA 24 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2rel n MET 25 N 0.12 0.00 0.00 0.00 2.81 -1.26 -5.12 117.12 113.67 2rel n MET 25 Ca 0.43 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.32 2rel n MET 25 Cb 0.28 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.79 2rel n MET 25 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 2rel n LEU 26 N 0.00 0.00 -4.11 4.03 -0.00 -1.26 -5.06 117.00 110.60 2rel n LEU 26 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.64 2rel n LEU 26 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 2rel n LEU 26 CO 0.00 0.00 0.06 0.20 -0.00 0.00 0.00 177.39 177.65 2rel s ASN 27 N 0.77 5.32 0.85 1.45 0.01 -1.26 -5.07 114.94 117.01 2rel s ASN 27 Ca 0.00 -2.84 -0.12 0.00 -0.71 0.00 0.00 52.86 49.19 2rel s ASN 27 Cb 0.00 -1.87 0.10 0.00 0.41 0.00 0.00 41.25 39.89 2rel s ASN 27 CO 0.00 -0.38 1.13 -2.16 -1.51 0.00 0.00 177.10 174.18 2rel s PRO 28 N -0.05 1.62 0.95 -0.60 0.04 -1.26 -5.07 135.00 130.64 2rel s PRO 28 Ca 0.17 0.36 -0.15 0.00 0.04 0.00 0.00 61.00 61.42 2rel s PRO 28 Cb -0.20 -1.89 0.17 0.00 0.04 0.00 0.00 34.50 32.63 2rel s PRO 28 CO -0.04 -1.88 1.23 -1.25 0.04 0.00 0.00 177.00 175.11 2rel s PRO 29 N -5.30 0.77 -0.21 0.56 0.04 -1.26 -4.91 135.00 124.69 2rel s PRO 29 Ca 0.62 -0.14 -0.16 0.00 0.04 0.00 0.00 61.00 61.37 2rel s PRO 29 Cb -0.14 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 32.63 2rel s PRO 29 CO 0.53 -2.37 0.54 -0.80 0.04 0.00 0.00 177.00 174.94 2rel s ASN 30 N -4.56 -0.64 0.01 6.66 0.01 -1.26 -4.11 114.94 111.05 2rel s ASN 30 Ca 0.69 1.14 0.27 0.00 -0.71 0.00 0.00 52.86 54.25 2rel s ASN 30 Cb -0.08 1.08 0.80 0.00 0.41 0.00 0.00 41.25 43.46 2rel s ASN 30 CO 0.53 -0.20 1.62 0.54 -1.51 0.00 0.00 177.10 178.07 2rel n ARG 31 N 3.54 0.01 -3.59 -0.60 1.74 -1.14 -4.90 116.66 111.72 2rel n ARG 31 Ca -0.18 0.01 -0.10 0.00 -0.77 0.00 0.00 57.85 56.81 2rel n ARG 31 Cb 0.57 -1.51 -0.02 0.00 -1.02 0.00 0.00 32.46 30.48 2rel n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2rel n LEU 33 N -0.40 -3.85 0.00 0.00 4.77 -1.26 -4.50 117.00 111.76 2rel n LEU 33 Ca -0.11 0.87 0.00 0.00 -0.03 0.00 0.00 56.01 56.73 2rel n LEU 33 Cb 0.63 3.60 0.00 0.00 -2.33 0.00 0.00 43.42 45.31 2rel n LEU 33 CO 0.13 0.20 -0.49 0.29 -1.33 0.00 0.00 177.39 176.19 2rel n LYS 34 N -3.45 0.13 -1.54 3.23 4.76 -1.26 -4.76 118.16 115.27 2rel n LYS 34 Ca 0.00 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.08 2rel n LYS 34 Cb 0.00 -0.99 -0.04 0.00 -1.84 0.00 0.00 35.03 32.16 2rel n LYS 34 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2rel n ASP 35 N -2.46 8.05 -4.63 4.39 2.03 -1.26 -4.96 116.55 117.70 2rel n ASP 35 Ca 0.00 -2.81 -0.60 0.00 0.52 0.00 0.00 54.79 51.89 2rel n ASP 35 Cb 0.49 -1.45 -0.08 0.00 -0.72 0.00 0.00 41.12 39.36 2rel n ASP 35 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2rel n THR 36 N 2.62 0.05 -2.07 5.18 -1.04 -1.26 -4.84 114.28 112.92 2rel n THR 36 Ca 0.68 -0.01 -0.29 0.00 -2.04 0.00 0.00 64.05 62.39 2rel n THR 36 Cb 0.32 -0.49 0.02 0.00 -1.82 0.00 0.00 70.33 68.37 2rel n THR 36 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2rel n ASP 37 N 3.07 5.59 -4.49 8.00 8.00 -1.26 -4.99 116.55 130.47 2rel n ASP 37 Ca 0.24 -3.76 -0.39 0.00 0.71 0.00 0.00 54.79 51.59 2rel n ASP 37 Cb 0.06 -0.57 -0.11 0.00 -0.02 0.00 0.00 41.12 40.48 2rel n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rel s PRO 39 N 1.67 3.23 0.00 0.00 0.04 -1.26 -4.52 135.00 134.17 2rel s PRO 39 Ca 0.05 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.23 2rel s PRO 39 Cb -0.17 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.22 2rel s PRO 39 CO 0.08 -2.05 0.00 0.41 0.04 0.00 0.00 177.00 175.48 2rel n GLY 40 N 5.31 0.58 2.84 0.56 0.00 -1.26 -4.89 105.19 108.33 2rel n GLY 40 Ca 0.08 -1.00 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 2rel n GLY 40 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2rel n ILE 41 N 0.00 3.23 -3.95 -0.61 0.13 -1.26 -5.04 119.36 111.85 2rel n ILE 41 Ca 0.00 -5.49 -0.23 0.00 -1.10 0.00 0.00 62.75 55.94 2rel n ILE 41 Cb 0.00 -1.39 -0.01 0.00 -0.84 0.00 0.00 39.64 37.40 2rel n ILE 41 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 2rel n LYS 42 N -0.28 0.85 -3.60 9.51 3.00 -1.26 -4.22 118.16 122.15 2rel n LYS 42 Ca 0.34 -2.88 -0.03 0.00 -0.00 0.00 0.00 58.31 55.74 2rel n LYS 42 Cb 0.42 0.39 -0.06 0.00 0.00 0.00 0.00 35.03 35.79 2rel n LYS 42 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2rel s LYS 43 N -3.81 0.52 -0.21 1.64 2.36 0.80 -4.70 119.74 116.35 2rel s LYS 43 Ca 0.21 1.05 -0.32 0.00 -2.55 0.00 0.00 55.97 54.37 2rel s LYS 43 Cb -0.02 0.35 -0.09 0.00 -1.05 0.00 0.00 37.83 37.03 2rel s LYS 43 CO 0.14 -0.14 2.13 0.00 1.55 0.00 0.00 175.35 179.03 2rel s GLU 46 N 1.04 2.65 -1.19 0.00 2.02 -1.26 -2.70 118.70 119.26 2rel s GLU 46 Ca 0.00 -1.10 -0.04 0.00 0.02 0.00 0.00 54.97 53.85 2rel s GLU 46 Cb 0.00 -2.98 0.21 0.00 0.10 0.00 0.00 34.13 31.47 2rel s GLU 46 CO 0.00 -0.46 2.04 0.41 0.02 0.00 0.00 175.26 177.27 2rel n GLY 47 N 4.61 5.47 3.21 -1.39 0.00 -0.99 -4.61 105.19 111.50 2rel n GLY 47 Ca -0.16 -2.30 -0.15 0.00 0.00 0.00 0.00 46.02 43.41 2rel n GLY 47 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rel n SER 48 N 1.34 -6.50 -0.81 1.61 3.41 -1.26 -4.69 113.62 106.72 2rel n SER 48 Ca 0.51 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.46 2rel n SER 48 Cb 0.27 -2.44 0.00 0.00 -0.26 0.00 0.00 64.21 61.78 2rel n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rel n GLY 50 N 0.68 -2.11 3.71 0.00 0.00 -1.26 -5.03 105.19 101.19 2rel n GLY 50 Ca 0.00 -1.40 -0.23 0.00 0.00 0.00 0.00 46.02 44.39 2rel n GLY 50 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2rel s MET 51 N -3.69 2.42 0.01 1.61 1.00 -1.26 -2.34 119.30 117.06 2rel s MET 51 Ca 0.00 -1.42 -0.01 0.00 0.00 0.00 0.00 55.69 54.26 2rel s MET 51 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 34.83 32.60 2rel s MET 51 CO 0.00 0.26 0.04 0.00 0.00 0.00 0.00 175.02 175.32 2rel n ALA 52 N -1.05 -0.12 -2.49 3.03 0.00 -1.10 -2.89 120.51 115.89 2rel n ALA 52 Ca -0.05 -0.04 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 2rel n ALA 52 Cb 0.60 0.02 -0.02 0.00 0.00 0.00 0.00 19.45 20.04 2rel n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rel s PHE 54 N 4.10 1.25 0.21 0.00 0.08 -0.56 -4.84 117.98 118.23 2rel s PHE 54 Ca 0.53 -0.30 -0.31 0.00 0.12 0.00 0.00 56.93 56.97 2rel s PHE 54 Cb -0.16 -0.84 -0.11 0.00 -0.57 0.00 0.00 43.02 41.35 2rel s PHE 54 CO 0.20 -0.08 1.58 0.54 -0.10 0.00 0.00 175.22 177.36 2rel s VAL 55 N -0.06 2.42 -0.27 -0.44 0.11 -1.26 -0.14 120.40 120.76 2rel s VAL 55 Ca 0.00 0.32 -0.06 0.00 -2.93 0.00 0.00 61.98 59.31 2rel s VAL 55 Cb -0.08 -3.20 -0.21 0.00 -1.53 0.00 0.00 36.38 31.36 2rel s VAL 55 CO 0.00 0.03 3.44 -0.81 -3.33 0.00 0.00 175.10 174.44 2rel n PRO 56 N 3.38 2.30 -0.68 1.54 -0.04 -1.26 -4.43 135.00 135.81 2rel n PRO 56 Ca 0.12 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 2rel n PRO 56 Cb 0.38 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 2rel n PRO 56 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50