#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2t h GLN 6 N 0.00 0.42 -6.20 1.45 5.75 -1.89 -3.46 115.11 111.19 2k2t h GLN 6 Ca 0.00 -0.62 -0.50 0.00 -0.15 0.00 0.00 58.65 57.38 2k2t h GLN 6 Cb 0.00 0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 2k2t h GLN 6 CO 0.00 1.27 -0.46 -0.48 -2.65 0.00 0.00 178.83 176.51 2k2t s LEU 7 N -7.93 3.62 -0.00 -2.39 2.34 -1.26 -5.05 118.68 108.01 2k2t s LEU 7 Ca -0.12 -0.47 0.22 0.00 0.06 0.00 0.00 54.13 53.82 2k2t s LEU 7 Cb 0.03 -2.22 -0.20 0.00 -0.56 0.00 0.00 46.19 43.24 2k2t s LEU 7 CO 0.87 -0.30 0.84 -1.20 -1.06 0.00 0.00 176.35 175.50 2k2t n SER 8 N -1.34 0.73 0.00 1.48 7.64 -1.26 -4.40 113.62 116.47 2k2t n SER 8 Ca -0.03 -0.68 0.00 0.00 1.01 0.00 0.00 58.87 59.17 2k2t n SER 8 Cb 0.59 1.17 0.00 0.00 -1.01 0.00 0.00 64.21 64.96 2k2t n SER 8 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k2t n GLU 9 N -1.70 0.00 -4.04 1.43 1.02 -1.26 -4.91 120.64 111.18 2k2t n GLU 9 Ca 0.02 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.85 2k2t n GLU 9 Cb 0.39 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.66 2k2t n GLU 9 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2k2t s THR 10 N 0.02 1.89 -0.48 2.62 -4.23 -1.26 -5.07 115.64 109.13 2k2t s THR 10 Ca 0.00 -1.25 -0.26 0.00 -1.18 0.00 0.00 61.69 59.00 2k2t s THR 10 Cb 0.00 -1.95 -0.05 0.00 1.34 0.00 0.00 72.50 71.83 2k2t s THR 10 CO 0.00 0.13 2.24 -2.84 -0.54 0.00 0.00 174.62 173.61 2k2t s PRO 11 N 1.27 2.37 0.42 3.99 0.02 -1.26 -4.82 135.00 136.99 2k2t s PRO 11 Ca -0.03 1.30 0.17 0.00 0.02 0.00 0.00 61.00 62.46 2k2t s PRO 11 Cb -0.17 -4.50 1.08 0.00 0.02 0.00 0.00 34.50 30.92 2k2t s PRO 11 CO -0.08 -2.98 1.86 0.00 -0.33 0.00 0.00 177.00 175.47 2k2t h ALA 12 N 17.84 2.20 0.14 -1.55 0.00 -1.97 1.30 119.26 137.21 2k2t h ALA 12 Ca -0.27 0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.34 2k2t h ALA 12 Cb 1.24 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2k2t h ALA 12 CO 1.15 -0.48 -1.57 0.00 0.00 0.00 0.00 179.25 178.34 2k2t h ALA 13 N 1.61 0.22 0.00 0.00 0.00 -1.87 -3.35 119.26 115.87 2k2t h ALA 13 Ca 0.47 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2k2t h ALA 13 Cb 1.16 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2k2t h ALA 13 CO -0.18 1.08 -0.29 0.00 0.00 0.00 0.00 179.25 179.87 2k2t n SER 15 N -2.75 0.00 -0.42 0.00 2.88 0.42 -0.64 113.62 113.12 2k2t n SER 15 Ca 0.03 0.41 0.14 0.00 -1.33 0.00 0.00 58.87 58.12 2k2t n SER 15 Cb 0.51 -0.45 0.57 0.00 -0.75 0.00 0.00 64.21 64.09 2k2t n SER 15 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k2t n SER 16 N -1.45 1.31 -3.11 -3.46 7.64 -1.16 -4.98 113.62 108.42 2k2t n SER 16 Ca 0.04 -1.43 -0.03 0.00 1.01 0.00 0.00 58.87 58.46 2k2t n SER 16 Cb 0.13 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.34 2k2t n SER 16 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2k2t n ASN 17 N 0.02 -7.58 0.00 6.43 3.02 0.19 -5.02 115.26 112.33 2k2t n ASN 17 Ca 0.19 -0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 2k2t n ASN 17 Cb 0.33 -5.20 0.00 0.00 -0.61 0.00 0.00 39.78 34.29 2k2t n ASN 17 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2k2t n PRO 18 N -1.99 0.00 0.00 3.52 -0.02 -1.26 -4.16 135.00 131.10 2k2t n PRO 18 Ca -0.02 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2k2t n PRO 18 Cb 0.52 -0.77 0.00 0.00 -0.02 0.00 0.00 33.50 33.23 2k2t n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k2t n GLY 20 N 0.24 3.09 3.88 0.00 0.00 -1.26 -4.09 105.19 107.05 2k2t n GLY 20 Ca 0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2k2t n GLY 20 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k2t s PRO 21 N 0.00 3.77 0.00 1.61 0.04 -1.26 -4.91 135.00 134.24 2k2t s PRO 21 Ca 0.00 0.41 0.15 0.00 0.04 0.00 0.00 61.00 61.60 2k2t s PRO 21 Cb 0.00 -2.43 0.71 0.00 0.04 0.00 0.00 34.50 32.82 2k2t s PRO 21 CO 0.00 0.01 1.44 0.39 0.04 0.00 0.00 177.00 178.88 2k2t n GLU 22 N -1.18 0.14 0.09 4.56 -0.58 -1.26 -1.04 120.64 121.36 2k2t n GLU 22 Ca 0.02 0.18 -0.13 0.00 -0.42 0.00 0.00 57.16 56.81 2k2t n GLU 22 Cb 0.54 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.83 2k2t n GLU 22 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k2t h ALA 23 N 2.64 0.28 0.10 0.62 0.00 -1.92 -3.35 119.26 117.63 2k2t h ALA 23 Ca 0.00 -0.80 -0.00 0.00 0.00 0.00 0.00 54.91 54.11 2k2t h ALA 23 Cb 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2k2t h ALA 23 CO 0.00 0.92 -0.05 0.00 0.00 0.00 0.00 179.25 180.12 2k2t h ALA 24 N 0.74 -0.13 -2.84 0.00 0.00 -1.35 -3.42 119.26 112.25 2k2t h ALA 24 Ca -0.09 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 2k2t h ALA 24 Cb 1.74 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 19.45 2k2t h ALA 24 CO 0.17 -0.28 0.07 0.20 0.00 0.00 0.00 179.25 179.41 2k2t s GLY 25 N -3.28 -0.45 0.14 0.00 0.00 -1.02 -0.40 107.32 102.31 2k2t s GLY 25 Ca -0.15 0.27 -0.26 0.00 0.00 0.00 0.00 44.72 44.58 2k2t s GLY 25 CO 0.57 -0.03 0.81 -1.59 0.00 0.00 0.00 173.10 172.87 2k2t s THR 26 N -3.62 4.44 -0.37 0.90 2.01 0.18 -4.07 115.64 115.10 2k2t s THR 26 Ca 0.01 1.76 -0.15 0.00 0.31 0.00 0.00 61.69 63.62 2k2t s THR 26 Cb 0.00 -4.17 0.00 0.00 0.01 0.00 0.00 72.50 68.34 2k2t s THR 26 CO -0.11 0.46 0.32 0.00 -0.69 0.00 0.00 174.62 174.60 2k2t s LYS 28 N 1.86 2.32 -0.09 0.00 2.36 0.67 -0.92 119.74 125.93 2k2t s LYS 28 Ca 0.08 -1.63 -0.30 0.00 -2.55 0.00 0.00 55.97 51.58 2k2t s LYS 28 Cb -0.18 -3.65 -0.03 0.00 -1.05 0.00 0.00 37.83 32.92 2k2t s LYS 28 CO 0.11 -1.00 1.30 -1.21 1.55 0.00 0.00 175.35 176.11 2k2t s GLU 29 N 1.28 4.28 0.30 4.03 2.02 -1.26 0.38 118.70 129.72 2k2t s GLU 29 Ca 0.05 1.77 0.04 0.00 0.02 0.00 0.00 54.97 56.85 2k2t s GLU 29 Cb -0.23 -3.68 0.04 0.00 0.10 0.00 0.00 34.13 30.36 2k2t s GLU 29 CO -0.01 -0.61 0.37 0.25 0.02 0.00 0.00 175.26 175.27 2k2t n THR 30 N 5.01 0.00 0.17 3.63 -2.24 -0.04 -4.84 114.28 115.96 2k2t n THR 30 Ca 0.13 -1.04 0.04 0.00 -2.27 0.00 0.00 64.05 60.91 2k2t n THR 30 Cb 0.45 -0.63 0.23 0.00 -2.10 0.00 0.00 70.33 68.28 2k2t n THR 30 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 2k2t h ASN 31 N 0.12 0.00 0.65 3.42 -0.73 -1.98 -2.81 115.58 114.25 2k2t h ASN 31 Ca -0.15 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.02 2k2t h ASN 31 Cb 0.66 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.25 2k2t h ASN 31 CO 0.22 0.45 -0.19 -1.20 -0.37 0.00 0.00 177.43 176.34 2k2t n SER 32 N -3.45 0.30 0.00 1.15 7.64 -1.26 -4.99 113.62 113.01 2k2t n SER 32 Ca 0.00 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2k2t n SER 32 Cb 0.59 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 2k2t n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k2t n GLY 33 N 1.43 0.76 3.33 0.23 0.00 -1.06 -5.09 105.19 104.79 2k2t n GLY 33 Ca 0.09 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 2k2t n GLY 33 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2k2t s TYR 34 N 0.00 -0.28 0.17 1.61 -0.85 -1.26 -0.86 117.35 115.88 2k2t s TYR 34 Ca 0.00 0.25 0.06 0.00 -0.52 0.00 0.00 57.07 56.86 2k2t s TYR 34 Cb 0.00 0.23 -0.05 0.00 0.38 0.00 0.00 41.96 42.52 2k2t s TYR 34 CO 0.00 -0.58 -0.12 0.96 -1.52 0.00 0.00 175.55 174.30 2k2t s ILE 35 N -2.46 1.41 -0.06 -3.49 -4.36 0.16 -4.75 121.20 107.65 2k2t s ILE 35 Ca -0.05 -2.12 0.06 0.00 -0.26 0.00 0.00 60.65 58.27 2k2t s ILE 35 Cb -0.01 -1.95 -0.01 0.00 1.25 0.00 0.00 42.46 41.74 2k2t s ILE 35 CO -0.02 -0.67 -0.24 0.00 0.24 0.00 0.00 174.94 174.25 2k2t s ARG 37 N -0.09 1.70 0.32 0.00 6.06 0.45 -4.95 118.95 122.45 2k2t s ARG 37 Ca -0.05 -1.86 -0.28 0.00 -2.50 0.00 0.00 55.73 51.04 2k2t s ARG 37 Cb -0.14 -3.37 -0.09 0.00 0.06 0.00 0.00 34.95 31.41 2k2t s ARG 37 CO 0.04 -1.00 1.11 0.00 -2.50 0.00 0.00 175.30 172.96 2k2t s ASN 39 N -1.01 3.55 -0.02 0.00 0.01 0.46 -4.82 114.94 113.10 2k2t s ASN 39 Ca 0.49 1.09 -0.31 0.00 -0.71 0.00 0.00 52.86 53.42 2k2t s ASN 39 Cb -0.30 -1.72 -0.09 0.00 0.41 0.00 0.00 41.25 39.55 2k2t s ASN 39 CO 0.39 -2.54 2.00 1.67 -1.51 0.00 0.00 177.10 177.10 2k2t n GLN 40 N -3.78 2.63 0.00 -0.60 -0.06 -1.26 -0.82 117.38 113.50 2k2t n GLN 40 Ca 0.06 0.94 0.00 0.00 -2.00 0.00 0.00 57.00 56.01 2k2t n GLN 40 Cb 0.58 -2.97 0.00 0.00 -4.06 0.00 0.00 30.24 23.79 2k2t n GLN 40 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2k2t n GLY 41 N 4.70 1.75 3.50 1.69 0.00 -1.26 -4.56 105.19 111.01 2k2t n GLY 41 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 2k2t n GLY 41 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k2t s TYR 42 N -2.08 2.31 0.06 1.61 2.02 0.00 -0.06 117.35 121.20 2k2t s TYR 42 Ca 0.00 -0.45 -0.05 0.00 -0.37 0.00 0.00 57.07 56.20 2k2t s TYR 42 Cb 0.00 -1.19 -0.02 0.00 -0.40 0.00 0.00 41.96 40.36 2k2t s TYR 42 CO 0.00 0.61 0.09 -0.98 -1.57 0.00 0.00 175.55 173.70 2k2t s ARG 43 N -3.58 0.67 0.17 -0.62 1.70 0.20 -4.47 118.95 113.02 2k2t s ARG 43 Ca 0.31 -0.93 -0.30 0.00 -0.47 0.00 0.00 55.73 54.34 2k2t s ARG 43 Cb -0.01 0.26 -0.07 0.00 -0.57 0.00 0.00 34.95 34.56 2k2t s ARG 43 CO 0.15 -0.17 1.04 0.42 -1.08 0.00 0.00 175.30 175.66 2k2t s ILE 44 N -3.30 4.06 0.04 4.99 -1.09 -1.26 -0.89 121.20 123.74 2k2t s ILE 44 Ca 0.01 1.79 0.01 0.00 -2.23 0.00 0.00 60.65 60.23 2k2t s ILE 44 Cb 0.03 -4.15 -0.03 0.00 -1.58 0.00 0.00 42.46 36.74 2k2t s ILE 44 CO -0.08 0.32 -0.05 -0.55 -1.23 0.00 0.00 174.94 173.35 2k2t s SER 45 N -0.22 0.54 0.01 3.58 0.15 -0.20 -4.88 113.70 112.68 2k2t s SER 45 Ca 0.48 -0.65 0.01 0.00 0.70 0.00 0.00 55.95 56.49 2k2t s SER 45 Cb -0.27 0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.10 2k2t s SER 45 CO 0.33 -0.34 0.02 -0.76 1.20 0.00 0.00 173.24 173.69 2k2t s LEU 46 N -1.89 3.60 0.57 3.45 1.43 -1.26 0.27 118.68 124.85 2k2t s LEU 46 Ca -0.08 0.02 0.34 0.00 -1.03 0.00 0.00 54.13 53.38 2k2t s LEU 46 Cb -0.06 -2.09 1.67 0.00 0.03 0.00 0.00 46.19 45.74 2k2t s LEU 46 CO -0.02 0.27 2.11 -2.24 0.23 0.00 0.00 176.35 176.70 2k2t h ASP 47 N 4.21 0.00 0.00 2.29 2.03 -1.81 -3.46 116.42 119.68 2k2t h ASP 47 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 2k2t h ASP 47 Cb 1.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 2k2t h ASP 47 CO 0.59 0.05 0.00 0.61 -1.03 0.00 0.00 179.24 179.46 2k2t n GLY 48 N -0.48 0.95 0.25 7.15 0.00 -1.26 -4.88 105.19 106.92 2k2t n GLY 48 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 2k2t n GLY 48 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k2t n THR 49 N 0.00 0.00 0.00 2.61 -2.24 -1.26 -4.96 114.28 108.43 2k2t n THR 49 Ca 0.00 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2k2t n THR 49 Cb 0.00 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 2k2t n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k2t n GLY 50 N 1.44 1.34 3.73 3.38 0.00 -1.26 -5.09 105.19 108.73 2k2t n GLY 50 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2k2t n GLY 50 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k2t s ASN 51 N -2.00 7.27 -0.43 1.61 0.01 -1.26 -4.88 114.94 115.26 2k2t s ASN 51 Ca 0.00 1.99 -0.29 0.00 -0.71 0.00 0.00 52.86 53.85 2k2t s ASN 51 Cb 0.00 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.09 2k2t s ASN 51 CO 0.00 -0.25 1.14 -0.69 -1.51 0.00 0.00 177.10 175.79 2k2t s VAL 52 N 0.18 4.26 0.48 1.60 1.01 -1.26 -2.36 120.40 124.30 2k2t s VAL 52 Ca 0.51 1.33 0.02 0.00 0.00 0.00 0.00 61.98 63.85 2k2t s VAL 52 Cb -0.28 -4.53 -0.02 0.00 0.00 0.00 0.00 36.38 31.55 2k2t s VAL 52 CO 0.32 -0.86 0.02 0.42 0.00 0.00 0.00 175.10 175.00 2k2t s THR 53 N 4.32 1.21 -0.04 3.92 -4.23 0.14 -3.84 115.64 117.12 2k2t s THR 53 Ca 0.48 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.01 2k2t s THR 53 Cb -0.09 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.46 2k2t s THR 53 CO 0.28 0.00 -0.05 0.00 -0.54 0.00 0.00 174.62 174.30 2k2t s ILE 55 N 0.78 0.71 0.38 0.00 -4.36 -0.07 -4.67 121.20 113.97 2k2t s ILE 55 Ca -0.11 -2.00 -0.27 0.00 -0.26 0.00 0.00 60.65 58.01 2k2t s ILE 55 Cb -0.14 -2.62 -0.09 0.00 1.25 0.00 0.00 42.46 40.86 2k2t s ILE 55 CO 0.01 0.00 1.32 0.54 0.24 0.00 0.00 174.94 177.05 2k2t s VAL 56 N -3.51 2.60 0.00 8.37 0.11 -1.26 0.62 120.40 127.33 2k2t s VAL 56 Ca 0.35 0.57 0.00 0.00 -2.93 0.00 0.00 61.98 59.97 2k2t s VAL 56 Cb 0.07 -3.35 0.00 0.00 -1.53 0.00 0.00 36.38 31.57 2k2t s VAL 56 CO 0.15 0.11 0.12 -1.14 -3.33 0.00 0.00 175.10 171.01 2k2t n ARG 57 N 0.41 0.00 0.01 1.54 0.63 0.91 -4.44 116.66 115.72 2k2t n ARG 57 Ca 0.02 0.21 -0.02 0.00 -0.92 0.00 0.00 57.85 57.14 2k2t n ARG 57 Cb 0.42 -0.80 -0.01 0.00 0.45 0.00 0.00 32.46 32.53 2k2t n ARG 57 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2k2t n GLN 58 N -1.13 0.11 0.00 -0.14 7.27 -1.26 -4.95 117.38 117.28 2k2t n GLN 58 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.11 2k2t n GLN 58 Cb 0.00 -0.61 0.00 0.00 2.41 0.00 0.00 30.24 32.04 2k2t n GLN 58 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2k2t n GLU 59 N -3.49 0.00 -2.86 3.69 2.13 -1.26 -4.90 120.64 113.94 2k2t n GLU 59 Ca -0.03 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.58 2k2t n GLU 59 Cb 0.11 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.83 2k2t n GLU 59 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2k2t n SER 60 N 0.00 -5.43 0.00 4.31 7.64 -1.25 -5.03 113.62 113.86 2k2t n SER 60 Ca 0.00 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2k2t n SER 60 Cb 0.00 -4.45 0.00 0.00 -1.01 0.00 0.00 64.21 58.75 2k2t n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64