#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2t s GLN 6 N 0.00 3.36 -0.69 7.34 0.74 -1.26 -4.25 119.66 124.90 2k2t s GLN 6 Ca 0.00 -1.70 -0.24 0.00 0.05 0.00 0.00 55.36 53.47 2k2t s GLN 6 Cb 0.00 -4.52 0.06 0.00 1.10 0.00 0.00 33.01 29.65 2k2t s GLN 6 CO 0.00 -1.58 1.06 -0.51 -0.55 0.00 0.00 175.29 173.71 2k2t s LEU 7 N 2.19 4.04 0.00 3.68 1.43 -0.96 -4.69 118.68 124.37 2k2t s LEU 7 Ca 0.21 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 2k2t s LEU 7 Cb -0.14 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.62 2k2t s LEU 7 CO -0.02 -1.55 0.00 -1.20 0.23 0.00 0.00 176.35 173.81 2k2t n SER 8 N 8.17 0.00 0.07 2.29 7.64 -1.26 -3.49 113.62 127.04 2k2t n SER 8 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2k2t n SER 8 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 2k2t n SER 8 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k2t n GLU 9 N 0.00 0.00 -3.34 1.43 2.13 -1.26 -5.08 120.64 114.51 2k2t n GLU 9 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 2k2t n GLU 9 Cb 0.00 -0.11 -0.06 0.00 0.27 0.00 0.00 31.44 31.54 2k2t n GLU 9 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2k2t s THR 10 N -1.61 4.83 -0.10 6.31 -4.23 -1.23 -4.95 115.64 114.67 2k2t s THR 10 Ca 0.00 0.99 0.00 0.00 -1.18 0.00 0.00 61.69 61.50 2k2t s THR 10 Cb 0.00 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 70.04 2k2t s THR 10 CO 0.00 0.42 0.59 -2.65 -0.54 0.00 0.00 174.62 172.44 2k2t n PRO 11 N 1.33 0.62 0.00 3.99 -0.02 -1.26 -2.27 135.00 137.39 2k2t n PRO 11 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 2k2t n PRO 11 Cb 0.51 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 2k2t n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k2t n ALA 12 N 0.64 0.00 0.31 3.55 0.00 -1.26 0.12 120.51 123.87 2k2t n ALA 12 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2k2t n ALA 12 Cb 0.30 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.87 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 0.69 -0.57 0.00 0.00 -1.88 -2.94 119.26 114.37 2k2t h ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k2t h ALA 13 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2k2t h ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 2k2t h SER 15 N 3.41 0.00 -0.64 0.00 0.87 -1.17 -1.41 113.55 114.61 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 1.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 2k2t h SER 15 CO 0.07 0.25 0.00 -1.20 -0.53 0.00 0.00 176.83 175.43 2k2t n SER 16 N -4.02 4.40 -2.91 6.23 7.64 -1.26 -4.81 113.62 118.87 2k2t n SER 16 Ca -0.02 -2.31 -0.08 0.00 1.01 0.00 0.00 58.87 57.47 2k2t n SER 16 Cb 0.32 -0.53 0.01 0.00 -1.01 0.00 0.00 64.21 63.00 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 1.19 -7.58 0.12 6.43 4.13 -0.53 -4.99 115.26 114.03 2k2t n ASN 17 Ca 0.24 0.77 -0.08 0.00 1.68 0.00 0.00 54.58 57.19 2k2t n ASN 17 Cb 0.78 -4.59 -0.05 0.00 -1.54 0.00 0.00 39.78 34.39 2k2t n ASN 17 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 2k2t h PRO 18 N 2.55 -0.37 -0.71 3.52 0.11 -1.84 -3.31 132.00 131.94 2k2t h PRO 18 Ca -0.07 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2k2t h PRO 18 Cb 0.69 0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2k2t h PRO 18 CO 0.15 -0.13 0.00 0.00 -0.21 0.00 0.00 178.00 177.80 2k2t n GLY 20 N 0.37 1.84 3.93 0.00 0.00 -1.25 -4.24 105.19 105.84 2k2t n GLY 20 Ca 0.09 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 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 3.44 0.60 1.61 0.05 -1.26 -4.90 135.00 134.53 2k2t s PRO 21 Ca 0.00 -0.08 0.37 0.00 0.05 0.00 0.00 61.00 61.33 2k2t s PRO 21 Cb 0.00 -2.50 1.86 0.00 0.05 0.00 0.00 34.50 33.91 2k2t s PRO 21 CO 0.00 -0.11 2.18 1.49 0.05 0.00 0.00 177.00 180.61 2k2t h GLU 22 N 0.42 0.00 -0.05 4.56 4.81 -1.89 -0.93 114.58 121.50 2k2t h GLU 22 Ca -0.48 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.62 2k2t h GLU 22 Cb 1.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2k2t h GLU 22 CO 0.61 0.03 -0.59 0.00 -0.73 0.00 0.00 179.01 178.33 2k2t h ALA 23 N 1.97 0.92 0.00 2.92 0.00 -1.94 -3.30 119.26 119.83 2k2t h ALA 23 Ca -0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 2k2t h ALA 23 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2k2t h ALA 23 CO 0.00 0.72 -0.00 0.00 0.00 0.00 0.00 179.25 179.97 2k2t h ALA 24 N 1.27 -0.00 -1.72 0.00 0.00 -1.46 -3.43 119.26 113.91 2k2t h ALA 24 Ca -0.00 -0.42 0.26 0.00 0.00 0.00 0.00 54.91 54.75 2k2t h ALA 24 Cb 1.07 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.73 2k2t h ALA 24 CO 0.09 -0.08 0.72 0.20 0.00 0.00 0.00 179.25 180.18 2k2t s GLY 25 N -3.90 -0.35 -0.01 0.00 0.00 -1.04 -0.76 107.32 101.26 2k2t s GLY 25 Ca -0.18 0.83 -0.15 0.00 0.00 0.00 0.00 44.72 45.22 2k2t s GLY 25 CO 0.68 0.22 0.40 -1.59 0.00 0.00 0.00 173.10 172.81 2k2t s THR 26 N -2.67 5.05 -0.33 0.90 2.01 0.12 -4.34 115.64 116.38 2k2t s THR 26 Ca 0.12 0.83 -0.12 0.00 0.31 0.00 0.00 61.69 62.82 2k2t s THR 26 Cb 0.02 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 2k2t s THR 26 CO -0.03 0.57 0.23 0.00 -0.69 0.00 0.00 174.62 174.69 2k2t s LYS 28 N 1.71 3.23 0.01 0.00 2.36 0.09 -4.49 119.74 122.64 2k2t s LYS 28 Ca 0.06 -0.70 -0.30 0.00 -2.55 0.00 0.00 55.97 52.47 2k2t s LYS 28 Cb -0.17 -2.87 -0.03 0.00 -1.05 0.00 0.00 37.83 33.70 2k2t s LYS 28 CO 0.10 -0.21 0.99 -1.21 1.55 0.00 0.00 175.35 176.57 2k2t s GLU 29 N 1.41 4.56 0.25 4.03 2.02 -1.26 0.43 118.70 130.14 2k2t s GLU 29 Ca 0.05 1.43 0.00 0.00 0.02 0.00 0.00 54.97 56.48 2k2t s GLU 29 Cb -0.14 -3.45 -0.00 0.00 0.10 0.00 0.00 34.13 30.64 2k2t s GLU 29 CO -0.06 -0.05 0.01 0.25 0.02 0.00 0.00 175.26 175.43 2k2t n THR 30 N 3.87 0.00 0.18 3.63 -2.24 0.05 -4.89 114.28 114.88 2k2t n THR 30 Ca 0.06 -1.22 0.03 0.00 -2.27 0.00 0.00 64.05 60.65 2k2t n THR 30 Cb 0.51 0.27 0.34 0.00 -2.10 0.00 0.00 70.33 69.35 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 0.65 0.00 0.33 3.42 -1.07 -1.97 -2.24 115.58 114.70 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 0.64 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.89 2k2t h ASN 31 CO 0.34 0.40 -0.14 -0.24 0.07 0.00 0.00 177.43 177.86 2k2t n SER 32 N -3.96 0.60 0.00 6.14 2.88 -1.26 -4.97 113.62 113.05 2k2t n SER 32 Ca -0.02 -0.65 0.00 0.00 -1.33 0.00 0.00 58.87 56.88 2k2t n SER 32 Cb 0.45 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 2k2t n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k2t n GLY 33 N 1.29 1.61 3.41 0.46 0.00 -0.84 -5.07 105.19 106.05 2k2t n GLY 33 Ca 0.14 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.45 0.28 1.61 -0.85 -1.26 -0.77 117.35 115.91 2k2t s TYR 34 Ca 0.00 0.59 0.06 0.00 -0.52 0.00 0.00 57.07 57.20 2k2t s TYR 34 Cb 0.00 0.34 -0.06 0.00 0.38 0.00 0.00 41.96 42.62 2k2t s TYR 34 CO 0.00 -0.62 -0.05 0.96 -1.52 0.00 0.00 175.55 174.32 2k2t s ILE 35 N -2.12 1.63 -0.09 -3.49 -4.36 0.17 -4.78 121.20 108.16 2k2t s ILE 35 Ca -0.07 -2.12 0.04 0.00 -0.26 0.00 0.00 60.65 58.25 2k2t s ILE 35 Cb -0.01 -2.48 -0.00 0.00 1.25 0.00 0.00 42.46 41.22 2k2t s ILE 35 CO 0.01 -0.27 -0.22 0.00 0.24 0.00 0.00 174.94 174.69 2k2t s ARG 37 N 0.27 2.52 0.08 0.00 6.06 0.13 -4.95 118.95 123.07 2k2t s ARG 37 Ca -0.15 -1.92 -0.30 0.00 -2.50 0.00 0.00 55.73 50.86 2k2t s ARG 37 Cb -0.17 -3.90 -0.05 0.00 0.06 0.00 0.00 34.95 30.89 2k2t s ARG 37 CO 0.07 -1.19 0.97 0.00 -2.50 0.00 0.00 175.30 172.66 2k2t s ASN 39 N 0.30 6.05 -0.43 0.00 0.01 0.06 -4.77 114.94 116.16 2k2t s ASN 39 Ca 0.49 2.65 -0.41 0.00 -0.71 0.00 0.00 52.86 54.88 2k2t s ASN 39 Cb -0.23 -2.63 -0.16 0.00 0.41 0.00 0.00 41.25 38.64 2k2t s ASN 39 CO 0.29 -1.03 2.11 0.00 -1.51 0.00 0.00 177.10 176.96 2k2t n GLN 40 N -0.23 0.48 0.00 -0.60 0.00 -1.26 0.02 117.38 115.79 2k2t n GLN 40 Ca 0.06 0.14 0.00 0.00 0.00 0.00 0.00 57.00 57.19 2k2t n GLN 40 Cb 0.44 -1.90 0.00 0.00 0.00 0.00 0.00 30.24 28.78 2k2t n GLN 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k2t n GLY 41 N 6.76 1.80 3.67 2.61 0.00 -1.26 -1.55 105.19 117.22 2k2t n GLY 41 Ca 0.47 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.37 2.68 0.04 1.61 2.02 0.10 -0.56 117.35 121.88 2k2t s TYR 42 Ca 0.00 -0.31 -0.02 0.00 -0.37 0.00 0.00 57.07 56.38 2k2t s TYR 42 Cb 0.00 -1.39 -0.03 0.00 -0.40 0.00 0.00 41.96 40.14 2k2t s TYR 42 CO 0.00 0.50 -0.01 -0.98 -1.57 0.00 0.00 175.55 173.50 2k2t s ARG 43 N -3.74 0.55 -0.06 -0.62 1.70 0.21 -4.65 118.95 112.34 2k2t s ARG 43 Ca 0.34 -1.02 -0.28 0.00 -0.47 0.00 0.00 55.73 54.30 2k2t s ARG 43 Cb -0.04 0.20 -0.03 0.00 -0.57 0.00 0.00 34.95 34.51 2k2t s ARG 43 CO 0.21 -0.11 0.90 0.42 -1.08 0.00 0.00 175.30 175.64 2k2t s ILE 44 N -3.24 4.89 0.08 4.99 -1.09 -1.26 -0.67 121.20 124.91 2k2t s ILE 44 Ca 0.01 1.86 0.06 0.00 -2.23 0.00 0.00 60.65 60.34 2k2t s ILE 44 Cb 0.03 -4.23 -0.03 0.00 -1.58 0.00 0.00 42.46 36.65 2k2t s ILE 44 CO -0.07 0.13 -0.15 -0.55 -1.23 0.00 0.00 174.94 173.06 2k2t s SER 45 N 1.00 1.86 -0.17 3.58 0.15 -0.57 -4.92 113.70 114.63 2k2t s SER 45 Ca 0.46 -0.65 -0.01 0.00 0.70 0.00 0.00 55.95 56.46 2k2t s SER 45 Cb -0.19 -0.07 -0.00 0.00 -1.71 0.00 0.00 66.02 64.05 2k2t s SER 45 CO 0.21 -0.06 -0.13 -0.76 1.20 0.00 0.00 173.24 173.70 2k2t s LEU 46 N -1.84 2.56 -0.94 3.45 1.43 -1.26 -0.30 118.68 121.78 2k2t s LEU 46 Ca 0.01 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.57 2k2t s LEU 46 Cb -0.09 -1.60 -0.13 0.00 0.03 0.00 0.00 46.19 44.40 2k2t s LEU 46 CO 0.03 0.06 2.89 0.47 0.23 0.00 0.00 176.35 180.03 2k2t n ASP 47 N 4.22 6.61 0.00 2.29 9.92 -1.01 -4.73 116.55 133.85 2k2t n ASP 47 Ca -0.19 -2.45 0.00 0.00 -0.53 0.00 0.00 54.79 51.62 2k2t n ASP 47 Cb 0.51 -1.36 0.00 0.00 -0.64 0.00 0.00 41.12 39.63 2k2t n ASP 47 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k2t n GLY 48 N 3.27 1.43 0.00 0.44 0.00 -1.26 -4.46 105.19 104.61 2k2t n GLY 48 Ca 0.58 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.62 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 -0.96 2.61 -2.24 -1.26 -4.82 114.28 107.62 2k2t n THR 49 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2k2t n THR 49 Cb 0.00 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 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 0.56 0.51 3.70 3.38 0.00 -1.26 -5.00 105.19 107.07 2k2t n GLY 50 Ca 0.06 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.07 6.96 -0.44 1.61 0.02 -1.26 -4.88 114.94 114.89 2k2t s ASN 51 Ca 0.00 2.08 -0.29 0.00 -1.02 0.00 0.00 52.86 53.63 2k2t s ASN 51 Cb 0.00 -2.57 0.03 0.00 0.02 0.00 0.00 41.25 38.72 2k2t s ASN 51 CO 0.00 -0.59 1.14 -0.69 0.02 0.00 0.00 177.10 176.98 2k2t s VAL 52 N 1.58 4.25 0.48 1.60 1.01 -1.26 -2.41 120.40 125.65 2k2t s VAL 52 Ca 0.61 1.32 0.02 0.00 0.00 0.00 0.00 61.98 63.93 2k2t s VAL 52 Cb -0.31 -4.54 -0.02 0.00 0.00 0.00 0.00 36.38 31.51 2k2t s VAL 52 CO 0.28 -0.88 0.03 0.42 0.00 0.00 0.00 175.10 174.95 2k2t s THR 53 N 4.34 1.08 -0.06 3.92 -4.23 0.59 -4.30 115.64 116.97 2k2t s THR 53 Ca 0.48 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.01 2k2t s THR 53 Cb -0.09 -2.25 0.01 0.00 1.34 0.00 0.00 72.50 71.51 2k2t s THR 53 CO 0.28 0.00 -0.12 0.00 -0.54 0.00 0.00 174.62 174.25 2k2t s ILE 55 N 0.70 1.01 0.28 0.00 -4.36 0.15 -4.74 121.20 114.24 2k2t s ILE 55 Ca -0.14 -2.03 -0.29 0.00 -0.26 0.00 0.00 60.65 57.92 2k2t s ILE 55 Cb -0.16 -2.27 -0.10 0.00 1.25 0.00 0.00 42.46 41.18 2k2t s ILE 55 CO 0.03 -0.38 1.26 0.54 0.24 0.00 0.00 174.94 176.63 2k2t s VAL 56 N -3.44 3.03 -0.15 8.37 0.11 -1.26 0.65 120.40 127.70 2k2t s VAL 56 Ca 0.27 0.97 -0.17 0.00 -2.93 0.00 0.00 61.98 60.12 2k2t s VAL 56 Cb 0.05 -3.62 -0.14 0.00 -1.53 0.00 0.00 36.38 31.14 2k2t s VAL 56 CO 0.07 0.21 0.27 -0.09 -3.33 0.00 0.00 175.10 172.23 2k2t h ARG 57 N 4.03 0.00 -0.11 1.54 2.43 -1.10 -3.42 114.38 117.75 2k2t h ARG 57 Ca -0.47 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 58.85 2k2t h ARG 57 Cb 1.22 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 30.60 2k2t h ARG 57 CO 0.69 0.62 -0.07 -1.14 -1.51 0.00 0.00 179.97 178.56 2k2t s GLN 58 N -2.14 0.09 -2.06 0.20 0.74 -1.21 -4.99 119.66 110.30 2k2t s GLN 58 Ca -0.18 -0.03 0.00 0.00 0.05 0.00 0.00 55.36 55.20 2k2t s GLN 58 Cb 0.01 0.01 0.00 0.00 1.10 0.00 0.00 33.01 34.13 2k2t s GLN 58 CO 0.44 -0.14 0.00 0.39 -0.55 0.00 0.00 175.29 175.43 2k2t n GLU 59 N 3.56 -1.53 -0.85 1.67 -0.58 -1.26 -4.66 120.64 116.98 2k2t n GLU 59 Ca 0.05 1.15 0.10 0.00 -0.42 0.00 0.00 57.16 58.05 2k2t n GLU 59 Cb 0.64 -5.64 -0.06 0.00 -0.57 0.00 0.00 31.44 25.82 2k2t n GLU 59 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2k2t n SER 60 N -1.60 -4.68 0.00 1.62 2.88 -1.24 -5.07 113.62 105.53 2k2t n SER 60 Ca -0.22 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 2k2t n SER 60 Cb 0.69 -2.93 0.00 0.00 -0.75 0.00 0.00 64.21 61.22 2k2t n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42