#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2t n GLN 6 N 0.00 0.67 -1.38 7.34 -0.06 -1.26 -4.96 117.38 117.73 2k2t n GLN 6 Ca 0.00 0.27 -0.15 0.00 -2.00 0.00 0.00 57.00 55.12 2k2t n GLN 6 Cb 0.00 -1.75 0.09 0.00 -4.06 0.00 0.00 30.24 24.52 2k2t n GLN 6 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2k2t n LEU 7 N -3.15 0.00 0.00 1.69 4.77 -1.26 -5.05 117.00 113.99 2k2t n LEU 7 Ca -0.22 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 2k2t n LEU 7 Cb 1.06 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2k2t n LEU 7 CO 0.44 -0.92 0.23 -0.24 -1.33 0.00 0.00 177.39 175.57 2k2t n SER 8 N -3.24 0.00 0.00 -1.43 2.88 -1.26 -4.82 113.62 105.74 2k2t n SER 8 Ca 0.09 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 2k2t n SER 8 Cb 0.33 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 2k2t n SER 8 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k2t n GLU 9 N -1.62 0.00 -3.51 -1.46 -0.58 -1.26 -4.92 120.64 107.29 2k2t n GLU 9 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 2k2t n GLU 9 Cb 0.00 -0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 30.77 2k2t n GLU 9 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2k2t s THR 10 N 0.00 4.87 -1.50 2.62 -4.23 -1.26 -5.00 115.64 111.14 2k2t s THR 10 Ca 0.00 -0.94 -0.11 0.00 -1.18 0.00 0.00 61.69 59.46 2k2t s THR 10 Cb 0.00 -3.80 0.01 0.00 1.34 0.00 0.00 72.50 70.04 2k2t s THR 10 CO 0.00 -0.38 2.52 -0.81 -0.54 0.00 0.00 174.62 175.41 2k2t n PRO 11 N 5.08 3.46 0.00 3.99 -0.05 -1.26 -4.75 135.00 141.46 2k2t n PRO 11 Ca -0.11 -2.60 0.00 0.00 -0.05 0.00 0.00 63.50 60.73 2k2t n PRO 11 Cb 0.45 -2.98 0.00 0.00 -0.05 0.00 0.00 33.50 30.92 2k2t n PRO 11 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2k2t n ALA 12 N 4.39 0.00 -0.26 0.55 0.00 -1.26 -0.87 120.51 123.06 2k2t n ALA 12 Ca 0.63 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 54.01 2k2t n ALA 12 Cb 0.31 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.81 2k2t n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k2t h ALA 13 N -0.18 0.92 -0.01 0.00 0.00 -1.90 -1.82 119.26 116.27 2k2t h ALA 13 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2k2t h ALA 13 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2k2t h ALA 13 CO 0.00 0.50 -0.08 0.00 0.00 0.00 0.00 179.25 179.66 2k2t h SER 15 N 0.87 0.00 -0.40 0.00 0.87 -1.39 -0.43 113.55 113.06 2k2t h SER 15 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k2t h SER 15 Cb 0.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2k2t h SER 15 CO 0.00 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.10 2k2t n SER 16 N -2.69 3.78 -3.14 6.23 7.64 -1.25 -4.96 113.62 119.23 2k2t n SER 16 Ca -0.00 -2.49 -0.08 0.00 1.01 0.00 0.00 58.87 57.31 2k2t n SER 16 Cb 0.17 -0.44 0.01 0.00 -1.01 0.00 0.00 64.21 62.94 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 0.31 -7.28 -0.20 6.43 4.13 -0.17 -4.93 115.26 113.55 2k2t n ASN 17 Ca 0.19 -0.04 -0.07 0.00 1.68 0.00 0.00 54.58 56.34 2k2t n ASN 17 Cb 0.72 -4.59 0.02 0.00 -1.54 0.00 0.00 39.78 34.40 2k2t n ASN 17 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2k2t h PRO 18 N 0.87 0.80 -0.70 3.52 0.13 -1.78 -2.57 132.00 132.27 2k2t h PRO 18 Ca -0.13 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2k2t h PRO 18 Cb 1.08 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2k2t h PRO 18 CO 0.28 0.65 0.00 0.00 -0.23 0.00 0.00 178.00 178.69 2k2t n GLY 20 N 0.50 2.68 3.85 0.00 0.00 -0.97 -4.11 105.19 107.14 2k2t n GLY 20 Ca 0.14 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 3.58 0.42 1.61 0.05 -1.26 -4.83 135.00 134.56 2k2t s PRO 21 Ca 0.00 0.88 0.18 0.00 0.05 0.00 0.00 61.00 62.11 2k2t s PRO 21 Cb 0.00 -2.08 0.92 0.00 0.05 0.00 0.00 34.50 33.39 2k2t s PRO 21 CO 0.00 -0.58 1.88 0.93 0.05 0.00 0.00 177.00 179.28 2k2t h GLU 22 N 0.06 0.00 0.00 4.56 5.08 -1.87 -1.67 114.58 120.74 2k2t h GLU 22 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2k2t h GLU 22 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2k2t h GLU 22 CO 0.61 0.29 0.00 0.00 -1.00 0.00 0.00 179.01 178.91 2k2t h ALA 23 N 1.71 1.00 0.00 3.43 0.00 -1.94 -3.26 119.26 120.20 2k2t h ALA 23 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2k2t h ALA 23 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2k2t h ALA 23 CO 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 179.25 178.86 2k2t h ALA 24 N 2.35 0.08 -2.23 0.00 0.00 -1.58 -3.44 119.26 114.43 2k2t h ALA 24 Ca 0.00 -0.64 0.21 0.00 0.00 0.00 0.00 54.91 54.48 2k2t h ALA 24 Cb 0.53 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 2k2t h ALA 24 CO 0.00 0.26 0.62 0.20 0.00 0.00 0.00 179.25 180.33 2k2t s GLY 25 N -4.32 -0.12 -0.10 0.00 0.00 -1.15 -0.31 107.32 101.34 2k2t s GLY 25 Ca -0.19 0.04 -0.05 0.00 0.00 0.00 0.00 44.72 44.52 2k2t s GLY 25 CO 0.52 1.45 0.12 -1.59 0.00 0.00 0.00 173.10 173.60 2k2t s THR 26 N -2.58 5.26 -0.19 0.90 2.01 0.90 -4.52 115.64 117.42 2k2t s THR 26 Ca 0.18 0.07 -0.08 0.00 0.31 0.00 0.00 61.69 62.16 2k2t s THR 26 Cb -0.01 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 2k2t s THR 26 CO 0.02 0.57 0.08 0.00 -0.69 0.00 0.00 174.62 174.61 2k2t s LYS 28 N 0.35 2.14 -0.14 0.00 2.36 -0.70 -1.41 119.74 122.33 2k2t s LYS 28 Ca 0.05 -0.71 -0.29 0.00 -2.55 0.00 0.00 55.97 52.47 2k2t s LYS 28 Cb -0.12 -2.27 -0.03 0.00 -1.05 0.00 0.00 37.83 34.37 2k2t s LYS 28 CO -0.01 -0.34 1.43 -1.21 1.55 0.00 0.00 175.35 176.78 2k2t s GLU 29 N 1.44 4.15 0.32 4.03 8.01 -1.26 -0.30 118.70 135.09 2k2t s GLU 29 Ca 0.02 1.81 0.02 0.00 0.01 0.00 0.00 54.97 56.83 2k2t s GLU 29 Cb -0.15 -3.88 0.02 0.00 -4.31 0.00 0.00 34.13 25.82 2k2t s GLU 29 CO -0.09 -0.85 0.18 0.25 0.01 0.00 0.00 175.26 174.77 2k2t n THR 30 N 5.58 0.00 0.25 3.63 -2.24 -0.58 -4.88 114.28 116.03 2k2t n THR 30 Ca 0.16 -1.31 0.12 0.00 -2.27 0.00 0.00 64.05 60.75 2k2t n THR 30 Cb 0.44 -0.11 0.61 0.00 -2.10 0.00 0.00 70.33 69.17 2k2t n THR 30 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k2t h ASN 31 N 0.46 0.00 1.81 3.42 -1.07 -1.97 -1.45 115.58 116.78 2k2t h ASN 31 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.16 2k2t h ASN 31 Cb 0.75 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.00 2k2t h ASN 31 CO 0.34 0.16 0.00 0.28 0.07 0.00 0.00 177.43 178.29 2k2t h SER 32 N 0.00 0.00 0.00 6.14 0.02 -1.98 -3.48 113.55 114.25 2k2t h SER 32 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k2t h SER 32 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2k2t h SER 32 CO 0.02 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 2k2t n GLY 33 N 0.99 2.09 3.36 -3.77 0.00 -0.55 -5.07 105.19 102.24 2k2t n GLY 33 Ca 0.04 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.34 0.12 1.61 1.13 -1.26 -1.53 117.35 117.08 2k2t s TYR 34 Ca 0.00 0.13 0.04 0.00 -1.41 0.00 0.00 57.07 55.83 2k2t s TYR 34 Cb 0.00 0.36 -0.04 0.00 -1.10 0.00 0.00 41.96 41.18 2k2t s TYR 34 CO 0.00 -0.73 -0.11 0.96 -2.51 0.00 0.00 175.55 173.16 2k2t s ILE 35 N -3.51 1.11 -0.18 -3.49 -4.36 0.59 -4.74 121.20 106.62 2k2t s ILE 35 Ca 0.01 -1.82 0.01 0.00 -0.26 0.00 0.00 60.65 58.58 2k2t s ILE 35 Cb 0.01 -1.59 0.02 0.00 1.25 0.00 0.00 42.46 42.15 2k2t s ILE 35 CO -0.10 -0.61 -0.18 0.00 0.24 0.00 0.00 174.94 174.29 2k2t s ARG 37 N 1.32 2.59 0.38 0.00 3.52 0.43 -4.93 118.95 122.25 2k2t s ARG 37 Ca 0.04 -1.80 -0.24 0.00 -0.13 0.00 0.00 55.73 53.60 2k2t s ARG 37 Cb -0.13 -3.99 -0.10 0.00 -1.56 0.00 0.00 34.95 29.16 2k2t s ARG 37 CO -0.12 -1.22 0.99 0.00 -0.81 0.00 0.00 175.30 174.14 2k2t s ASN 39 N -1.70 3.37 0.24 0.00 0.01 0.58 -4.90 114.94 112.54 2k2t s ASN 39 Ca 0.56 -0.02 -0.31 0.00 -0.71 0.00 0.00 52.86 52.38 2k2t s ASN 39 Cb -0.18 -0.08 -0.12 0.00 0.41 0.00 0.00 41.25 41.28 2k2t s ASN 39 CO 0.23 -2.54 1.63 0.00 -1.51 0.00 0.00 177.10 174.91 2k2t n GLN 40 N -3.51 2.61 -0.66 -0.60 10.64 -1.26 -1.28 117.38 123.32 2k2t n GLN 40 Ca 0.16 0.93 0.00 0.00 -1.83 0.00 0.00 57.00 56.27 2k2t n GLN 40 Cb 0.60 -2.73 0.00 0.00 -0.86 0.00 0.00 30.24 27.25 2k2t n GLN 40 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k2t n GLY 41 N 3.03 0.74 3.32 2.61 0.00 -1.26 -4.94 105.19 108.68 2k2t n GLY 41 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.57 1.77 0.07 1.61 2.02 -0.40 -0.07 117.35 119.77 2k2t s TYR 42 Ca 0.00 -0.47 -0.01 0.00 -0.37 0.00 0.00 57.07 56.21 2k2t s TYR 42 Cb 0.00 -0.90 -0.04 0.00 -0.40 0.00 0.00 41.96 40.63 2k2t s TYR 42 CO 0.00 0.29 -0.00 -0.98 -1.57 0.00 0.00 175.55 173.29 2k2t s ARG 43 N -2.67 0.67 0.00 -0.62 1.70 0.56 -4.63 118.95 113.96 2k2t s ARG 43 Ca 0.14 -1.24 -0.22 0.00 -0.47 0.00 0.00 55.73 53.94 2k2t s ARG 43 Cb -0.06 0.22 -0.05 0.00 -0.57 0.00 0.00 34.95 34.49 2k2t s ARG 43 CO 0.06 -0.14 0.65 0.42 -1.08 0.00 0.00 175.30 175.21 2k2t s ILE 44 N -3.94 4.87 0.26 4.99 -1.09 -1.26 -0.38 121.20 124.65 2k2t s ILE 44 Ca 0.10 1.37 -0.02 0.00 -2.23 0.00 0.00 60.65 59.87 2k2t s ILE 44 Cb 0.08 -3.99 -0.02 0.00 -1.58 0.00 0.00 42.46 36.94 2k2t s ILE 44 CO -0.08 0.39 0.29 -0.55 -1.23 0.00 0.00 174.94 173.75 2k2t s SER 45 N -0.06 0.58 0.00 3.58 0.15 0.25 -4.90 113.70 113.31 2k2t s SER 45 Ca 0.34 -1.41 0.02 0.00 0.70 0.00 0.00 55.95 55.59 2k2t s SER 45 Cb -0.19 0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 64.59 2k2t s SER 45 CO 0.19 -1.02 0.01 -0.76 1.20 0.00 0.00 173.24 172.85 2k2t s LEU 46 N -3.20 3.53 0.58 3.45 1.43 -1.26 -0.17 118.68 123.05 2k2t s LEU 46 Ca 0.35 -0.01 0.32 0.00 -1.03 0.00 0.00 54.13 53.76 2k2t s LEU 46 Cb 0.03 -2.04 1.82 0.00 0.03 0.00 0.00 46.19 46.03 2k2t s LEU 46 CO 0.16 0.27 2.22 -2.24 0.23 0.00 0.00 176.35 176.99 2k2t h ASP 47 N 4.28 0.00 0.00 2.29 2.03 -1.79 -3.45 116.42 119.78 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 0.58 0.04 0.00 0.61 -1.03 0.00 0.00 179.24 179.43 2k2t n GLY 48 N -1.03 1.33 0.03 7.15 0.00 -1.26 -4.92 105.19 106.49 2k2t n GLY 48 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 0.41 0.00 2.61 -2.24 -1.26 -5.01 114.28 108.79 2k2t n THR 49 Ca 0.00 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2k2t n THR 49 Cb 0.00 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 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 2.34 0.64 3.83 3.38 0.00 -1.26 -5.14 105.19 108.98 2k2t n GLY 50 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.64 6.92 -0.44 1.61 0.01 -1.26 -4.90 114.94 116.24 2k2t s ASN 51 Ca 0.00 1.27 -0.29 0.00 -0.71 0.00 0.00 52.86 53.13 2k2t s ASN 51 Cb 0.00 -2.36 0.03 0.00 0.41 0.00 0.00 41.25 39.32 2k2t s ASN 51 CO 0.00 0.00 1.16 -0.69 -1.51 0.00 0.00 177.10 176.06 2k2t s VAL 52 N -1.60 4.22 0.35 1.60 1.01 -1.26 -2.19 120.40 122.52 2k2t s VAL 52 Ca 0.44 1.27 0.05 0.00 0.00 0.00 0.00 61.98 63.75 2k2t s VAL 52 Cb -0.15 -4.53 -0.07 0.00 0.00 0.00 0.00 36.38 31.64 2k2t s VAL 52 CO 0.20 -0.89 0.02 0.42 0.00 0.00 0.00 175.10 174.84 2k2t s THR 53 N 4.43 1.56 -0.08 3.92 -4.23 0.76 -4.41 115.64 117.59 2k2t s THR 53 Ca 0.49 -2.02 0.04 0.00 -1.18 0.00 0.00 61.69 59.02 2k2t s THR 53 Cb -0.09 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 70.94 2k2t s THR 53 CO 0.29 -0.05 -0.22 0.00 -0.54 0.00 0.00 174.62 174.11 2k2t s ILE 55 N 0.29 0.92 0.20 0.00 -4.36 0.48 -4.49 121.20 114.24 2k2t s ILE 55 Ca -0.15 -2.02 -0.30 0.00 -0.26 0.00 0.00 60.65 57.93 2k2t s ILE 55 Cb -0.17 -2.46 -0.08 0.00 1.25 0.00 0.00 42.46 41.01 2k2t s ILE 55 CO 0.07 -0.22 1.04 0.54 0.24 0.00 0.00 174.94 176.62 2k2t s VAL 56 N -3.50 3.93 -0.44 8.37 0.11 -1.26 -0.32 120.40 127.28 2k2t s VAL 56 Ca 0.31 1.76 -0.14 0.00 -2.93 0.00 0.00 61.98 60.98 2k2t s VAL 56 Cb 0.07 -4.12 0.06 0.00 -1.53 0.00 0.00 36.38 30.85 2k2t s VAL 56 CO 0.10 0.35 0.34 -0.60 -3.33 0.00 0.00 175.10 171.96 2k2t s ARG 57 N -0.70 2.92 0.00 1.54 6.06 0.89 -4.75 118.95 124.91 2k2t s ARG 57 Ca 0.46 -1.26 0.13 0.00 -2.50 0.00 0.00 55.73 52.56 2k2t s ARG 57 Cb -0.28 -4.02 0.70 0.00 0.06 0.00 0.00 34.95 31.40 2k2t s ARG 57 CO 0.35 -0.93 1.30 0.00 -2.50 0.00 0.00 175.30 173.52 2k2t n GLN 58 N 5.14 0.25 -3.96 5.12 0.00 -1.26 -4.21 117.38 118.46 2k2t n GLN 58 Ca -0.12 0.12 -0.29 0.00 0.00 0.00 0.00 57.00 56.70 2k2t n GLN 58 Cb 0.45 -1.50 -0.16 0.00 0.00 0.00 0.00 30.24 29.02 2k2t n GLN 58 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2k2t s GLU 59 N -2.41 1.85 -0.17 2.61 2.56 -1.26 -5.08 118.70 116.81 2k2t s GLU 59 Ca 0.15 -0.67 -0.39 0.00 0.00 0.00 0.00 54.97 54.06 2k2t s GLU 59 Cb 0.09 -2.20 -0.16 0.00 2.00 0.00 0.00 34.13 33.86 2k2t s GLU 59 CO 0.19 -0.39 1.64 -1.13 -0.56 0.00 0.00 175.26 175.00 2k2t n SER 60 N 4.77 2.24 0.00 -1.70 3.41 -1.26 -4.90 113.62 116.18 2k2t n SER 60 Ca -0.14 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.55 2k2t n SER 60 Cb 0.48 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 2k2t n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49