#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 3.34 -0.01 5.55 0.74 -1.26 -4.54 119.66 123.48 2k2t s GLN 6 Ca 0.00 0.20 -0.10 0.00 0.05 0.00 0.00 55.36 55.52 2k2t s GLN 6 Cb 0.00 -4.10 -0.05 0.00 1.10 0.00 0.00 33.01 29.96 2k2t s GLN 6 CO 0.00 -1.91 0.69 -0.07 -0.55 0.00 0.00 175.29 173.44 2k2t h LEU 7 N 12.70 -0.30 0.00 3.68 3.38 -1.76 -3.48 115.31 129.54 2k2t h LEU 7 Ca -0.26 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2k2t h LEU 7 Cb 1.07 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2k2t h LEU 7 CO 1.21 -0.10 0.00 -1.54 0.09 0.00 0.00 178.44 178.10 2k2t n SER 8 N -3.54 0.00 -0.03 -0.43 3.41 -1.26 -5.03 113.62 106.73 2k2t n SER 8 Ca -0.04 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.55 2k2t n SER 8 Cb 0.14 0.35 -0.01 0.00 -0.26 0.00 0.00 64.21 64.43 2k2t n SER 8 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2k2t h GLU 9 N 0.00 0.00 -5.16 4.33 4.81 -2.01 -3.46 114.58 113.09 2k2t h GLU 9 Ca 0.00 0.00 -0.64 0.00 -0.13 0.00 0.00 59.36 58.59 2k2t h GLU 9 Cb 0.00 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 29.16 2k2t h GLU 9 CO 0.00 0.00 -0.66 0.95 -0.73 0.00 0.00 179.01 178.57 2k2t s THR 10 N -1.54 4.00 0.07 0.32 -4.23 -1.26 -4.98 115.64 108.02 2k2t s THR 10 Ca -0.06 -0.30 0.31 0.00 -1.18 0.00 0.00 61.69 60.46 2k2t s THR 10 Cb 0.01 -2.80 0.32 0.00 1.34 0.00 0.00 72.50 71.37 2k2t s THR 10 CO 0.09 0.44 1.94 -0.65 -0.54 0.00 0.00 174.62 175.89 2k2t h PRO 11 N 7.33 0.00 -2.88 3.99 0.11 -1.89 -3.37 132.00 135.28 2k2t h PRO 11 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2k2t h PRO 11 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2k2t h PRO 11 CO 0.62 0.00 -0.60 0.00 -0.21 0.00 0.00 178.00 177.81 2k2t n ALA 12 N -1.91 -2.40 0.00 -0.75 0.00 -1.26 -4.35 120.51 109.83 2k2t n ALA 12 Ca -0.01 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2k2t n ALA 12 Cb 0.11 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2k2t n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k2t n ALA 13 N 0.79 0.00 1.67 0.00 0.00 -1.26 -4.05 120.51 117.66 2k2t n ALA 13 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2k2t n ALA 13 Cb 0.00 0.00 0.80 0.00 0.00 0.00 0.00 19.45 20.25 2k2t n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k2t h SER 15 N 0.00 0.00 -0.47 0.00 0.87 -1.85 -1.96 113.55 110.15 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 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 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 -2.86 3.29 -3.37 6.23 7.64 -1.23 -4.93 113.62 118.39 2k2t n SER 16 Ca 0.01 -1.97 -0.14 0.00 1.01 0.00 0.00 58.87 57.78 2k2t n SER 16 Cb 0.27 -0.31 0.02 0.00 -1.01 0.00 0.00 64.21 63.18 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 1.03 -6.52 0.05 6.43 4.13 -0.74 -4.90 115.26 114.74 2k2t n ASN 17 Ca 0.17 -0.55 -0.11 0.00 1.68 0.00 0.00 54.58 55.77 2k2t n ASN 17 Cb 0.51 -4.14 -0.04 0.00 -1.54 0.00 0.00 39.78 34.56 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 -0.41 -0.30 -0.73 3.52 0.13 -1.79 -1.56 132.00 130.86 2k2t h PRO 18 Ca -0.36 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2k2t h PRO 18 Cb 1.20 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2k2t h PRO 18 CO 0.37 -0.20 0.00 0.00 -0.23 0.00 0.00 178.00 177.94 2k2t n GLY 20 N 0.44 1.74 3.94 0.00 0.00 -0.59 -3.58 105.19 107.15 2k2t n GLY 20 Ca 0.16 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 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 2.28 0.27 1.61 0.05 -1.26 -4.76 135.00 133.19 2k2t s PRO 21 Ca 0.00 -0.36 0.01 0.00 0.05 0.00 0.00 61.00 60.70 2k2t s PRO 21 Cb 0.00 -2.24 0.39 0.00 0.05 0.00 0.00 34.50 32.70 2k2t s PRO 21 CO 0.00 -1.12 1.74 1.49 0.05 0.00 0.00 177.00 179.16 2k2t h GLU 22 N -0.45 0.59 0.00 4.56 4.81 -1.88 -1.82 114.58 120.39 2k2t h GLU 22 Ca -0.44 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 58.56 2k2t h GLU 22 Cb 1.31 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 2k2t h GLU 22 CO 0.59 0.73 -0.18 0.00 -0.73 0.00 0.00 179.01 179.42 2k2t h ALA 23 N 1.29 1.61 0.05 2.92 0.00 -1.94 -3.18 119.26 120.00 2k2t h ALA 23 Ca 0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k2t h ALA 23 Cb 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2k2t h ALA 23 CO 0.04 0.22 -0.02 0.00 0.00 0.00 0.00 179.25 179.49 2k2t h ALA 24 N 1.82 -0.09 -1.96 0.00 0.00 -1.70 -3.41 119.26 113.92 2k2t h ALA 24 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2k2t h ALA 24 Cb 0.33 0.02 -0.20 0.00 0.00 0.00 0.00 17.79 17.95 2k2t h ALA 24 CO 0.02 -0.09 0.21 0.20 0.00 0.00 0.00 179.25 179.60 2k2t s GLY 25 N -2.90 -0.54 -0.01 0.00 0.00 -0.73 -0.37 107.32 102.77 2k2t s GLY 25 Ca -0.01 1.52 -0.14 0.00 0.00 0.00 0.00 44.72 46.10 2k2t s GLY 25 CO 0.03 1.12 0.38 -1.59 0.00 0.00 0.00 173.10 173.04 2k2t s THR 26 N -0.89 5.08 -0.09 0.90 2.01 0.31 -4.35 115.64 118.61 2k2t s THR 26 Ca -0.08 0.76 -0.04 0.00 0.31 0.00 0.00 61.69 62.63 2k2t s THR 26 Cb -0.01 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 2k2t s THR 26 CO 0.08 0.57 0.09 0.00 -0.69 0.00 0.00 174.62 174.66 2k2t s LYS 28 N -1.08 1.39 -0.00 0.00 2.47 -0.33 -4.50 119.74 117.70 2k2t s LYS 28 Ca 0.16 -0.25 -0.30 0.00 -1.56 0.00 0.00 55.97 54.01 2k2t s LYS 28 Cb -0.12 -1.34 -0.06 0.00 -1.46 0.00 0.00 37.83 34.85 2k2t s LYS 28 CO 0.05 -0.13 1.61 -1.21 0.16 0.00 0.00 175.35 175.82 2k2t s GLU 29 N 1.22 4.21 0.20 4.03 8.01 -1.26 -0.01 118.70 135.09 2k2t s GLU 29 Ca -0.05 2.20 0.00 0.00 0.01 0.00 0.00 54.97 57.14 2k2t s GLU 29 Cb -0.14 -3.77 -0.00 0.00 -4.31 0.00 0.00 34.13 25.90 2k2t s GLU 29 CO -0.02 -0.76 0.02 0.25 0.01 0.00 0.00 175.26 174.76 2k2t n THR 30 N 5.06 0.00 -0.32 3.63 -2.24 -0.46 -4.87 114.28 115.08 2k2t n THR 30 Ca 0.16 -0.97 0.04 0.00 -2.27 0.00 0.00 64.05 61.01 2k2t n THR 30 Cb 0.42 0.24 0.19 0.00 -2.10 0.00 0.00 70.33 69.07 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 0.54 0.80 0.51 3.42 -0.73 -1.96 -0.44 115.58 117.73 2k2t h ASN 31 Ca -0.16 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.05 2k2t h ASN 31 Cb 0.51 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.98 2k2t h ASN 31 CO 0.26 0.46 -0.00 -1.20 -0.37 0.00 0.00 177.43 176.58 2k2t n SER 32 N -4.67 0.02 0.00 1.15 7.64 -1.26 -4.93 113.62 111.56 2k2t n SER 32 Ca 0.15 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2k2t n SER 32 Cb 0.28 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 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 1.26 2.29 3.36 0.23 0.00 -0.17 -5.05 105.19 107.12 2k2t n GLY 33 Ca 0.15 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.36 0.24 1.61 -0.85 -1.26 -1.35 117.35 115.39 2k2t s TYR 34 Ca 0.00 0.27 0.04 0.00 -0.52 0.00 0.00 57.07 56.87 2k2t s TYR 34 Cb 0.00 0.32 -0.05 0.00 0.38 0.00 0.00 41.96 42.61 2k2t s TYR 34 CO 0.00 -0.67 -0.03 0.96 -1.52 0.00 0.00 175.55 174.30 2k2t s ILE 35 N -2.92 1.22 -0.09 -3.49 -4.36 0.98 -4.74 121.20 107.80 2k2t s ILE 35 Ca -0.03 -2.06 0.03 0.00 -0.26 0.00 0.00 60.65 58.33 2k2t s ILE 35 Cb -0.00 -2.34 0.01 0.00 1.25 0.00 0.00 42.46 41.37 2k2t s ILE 35 CO -0.06 -0.34 -0.19 0.00 0.24 0.00 0.00 174.94 174.59 2k2t s ARG 37 N 0.58 2.06 0.35 0.00 6.06 0.11 -4.93 118.95 123.18 2k2t s ARG 37 Ca -0.15 -1.77 -0.26 0.00 -2.50 0.00 0.00 55.73 51.06 2k2t s ARG 37 Cb -0.17 -3.57 -0.09 0.00 0.06 0.00 0.00 34.95 31.18 2k2t s ARG 37 CO 0.05 -1.04 1.04 0.00 -2.50 0.00 0.00 175.30 172.85 2k2t s ASN 39 N -1.37 4.29 -0.32 0.00 0.01 0.50 -4.85 114.94 113.20 2k2t s ASN 39 Ca 0.52 1.02 -0.27 0.00 -0.71 0.00 0.00 52.86 53.42 2k2t s ASN 39 Cb -0.24 -1.64 -0.05 0.00 0.41 0.00 0.00 41.25 39.72 2k2t s ASN 39 CO 0.31 -2.07 2.25 -1.58 -1.51 0.00 0.00 177.10 174.51 2k2t s GLN 40 N -5.34 2.79 0.00 -0.60 0.74 -1.26 -0.61 119.66 115.37 2k2t s GLN 40 Ca 0.62 1.77 0.00 0.00 0.05 0.00 0.00 55.36 57.79 2k2t s GLN 40 Cb -0.13 -4.44 0.00 0.00 1.10 0.00 0.00 33.01 29.54 2k2t s GLN 40 CO 0.52 -2.50 0.00 0.41 -0.55 0.00 0.00 175.29 173.17 2k2t n GLY 41 N 5.83 1.13 3.43 2.59 0.00 -1.26 -4.57 105.19 112.34 2k2t n GLY 41 Ca 0.32 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.79 1.99 0.07 1.61 2.02 0.22 -0.60 117.35 120.86 2k2t s TYR 42 Ca 0.00 -0.62 -0.06 0.00 -0.37 0.00 0.00 57.07 56.02 2k2t s TYR 42 Cb 0.00 -1.08 -0.01 0.00 -0.40 0.00 0.00 41.96 40.47 2k2t s TYR 42 CO 0.00 0.37 0.11 -0.98 -1.57 0.00 0.00 175.55 173.48 2k2t s ARG 43 N -3.68 0.72 0.09 -0.62 1.70 0.12 -4.63 118.95 112.65 2k2t s ARG 43 Ca 0.29 -0.97 -0.24 0.00 -0.47 0.00 0.00 55.73 54.33 2k2t s ARG 43 Cb 0.02 0.28 -0.06 0.00 -0.57 0.00 0.00 34.95 34.62 2k2t s ARG 43 CO 0.12 -0.20 0.75 0.42 -1.08 0.00 0.00 175.30 175.31 2k2t s ILE 44 N -3.56 4.61 -0.02 4.99 -1.09 -1.26 -0.42 121.20 124.44 2k2t s ILE 44 Ca 0.03 1.61 -0.05 0.00 -2.23 0.00 0.00 60.65 60.00 2k2t s ILE 44 Cb 0.04 -4.10 0.01 0.00 -1.58 0.00 0.00 42.46 36.83 2k2t s ILE 44 CO -0.09 0.44 0.12 -0.55 -1.23 0.00 0.00 174.94 173.63 2k2t s SER 45 N -0.54 -0.04 -0.38 3.58 0.15 -0.17 -4.90 113.70 111.41 2k2t s SER 45 Ca 0.36 0.01 -0.18 0.00 0.70 0.00 0.00 55.95 56.84 2k2t s SER 45 Cb -0.21 0.23 0.01 0.00 -1.71 0.00 0.00 66.02 64.34 2k2t s SER 45 CO 0.24 -0.20 0.47 -0.76 1.20 0.00 0.00 173.24 174.19 2k2t s LEU 46 N -0.67 4.53 -1.30 3.45 1.43 -1.26 -1.10 118.68 123.77 2k2t s LEU 46 Ca -0.08 -0.30 -0.14 0.00 -1.03 0.00 0.00 54.13 52.59 2k2t s LEU 46 Cb -0.05 -2.49 0.12 0.00 0.03 0.00 0.00 46.19 43.81 2k2t s LEU 46 CO 0.01 -0.52 1.77 -0.67 0.23 0.00 0.00 176.35 177.17 2k2t n ASP 47 N 5.69 4.88 0.00 2.29 2.03 -1.02 -4.62 116.55 125.80 2k2t n ASP 47 Ca -0.06 -2.98 0.00 0.00 0.52 0.00 0.00 54.79 52.27 2k2t n ASP 47 Cb 0.48 -1.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.28 2k2t n ASP 47 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k2t n GLY 48 N 4.03 1.34 0.68 0.27 0.00 -1.26 -4.25 105.19 105.99 2k2t n GLY 48 Ca 0.43 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.53 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 0.32 -0.67 2.61 -2.24 -1.26 -4.89 114.28 108.15 2k2t n THR 49 Ca 0.00 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2k2t n THR 49 Cb 0.00 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 1.18 0.76 3.74 3.38 0.00 -1.26 -5.02 105.19 107.97 2k2t n GLY 50 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.56 6.69 -0.48 1.61 0.01 -1.26 -4.80 114.94 114.16 2k2t s ASN 51 Ca 0.00 2.61 -0.29 0.00 -0.71 0.00 0.00 52.86 54.47 2k2t s ASN 51 Cb 0.00 -2.62 0.03 0.00 0.41 0.00 0.00 41.25 39.07 2k2t s ASN 51 CO 0.00 -0.68 1.17 -0.69 -1.51 0.00 0.00 177.10 175.39 2k2t s VAL 52 N 0.10 4.16 0.32 1.60 1.01 -1.26 -2.42 120.40 123.91 2k2t s VAL 52 Ca 0.60 1.17 0.04 0.00 0.00 0.00 0.00 61.98 63.79 2k2t s VAL 52 Cb -0.41 -4.56 -0.06 0.00 0.00 0.00 0.00 36.38 31.34 2k2t s VAL 52 CO 0.41 -1.00 0.05 0.28 0.00 0.00 0.00 175.10 174.85 2k2t s THR 53 N 4.60 1.18 -0.12 3.92 -1.32 -0.26 -4.28 115.64 119.38 2k2t s THR 53 Ca 0.49 -2.01 0.02 0.00 -1.21 0.00 0.00 61.69 58.98 2k2t s THR 53 Cb -0.08 -2.77 -0.01 0.00 -1.51 0.00 0.00 72.50 68.14 2k2t s THR 53 CO 0.32 -0.02 -0.17 0.00 -2.21 0.00 0.00 174.62 172.53 2k2t s ILE 55 N 0.32 1.37 0.22 0.00 -4.36 0.44 -4.62 121.20 114.57 2k2t s ILE 55 Ca -0.14 -2.06 -0.30 0.00 -0.26 0.00 0.00 60.65 57.90 2k2t s ILE 55 Cb -0.17 -2.55 -0.08 0.00 1.25 0.00 0.00 42.46 40.91 2k2t s ILE 55 CO 0.07 -0.21 1.17 0.54 0.24 0.00 0.00 174.94 176.75 2k2t s VAL 56 N -3.18 3.53 0.15 8.37 0.11 -1.26 0.10 120.40 128.22 2k2t s VAL 56 Ca 0.32 1.36 0.01 0.00 -2.93 0.00 0.00 61.98 60.74 2k2t s VAL 56 Cb 0.06 -3.87 -0.16 0.00 -1.53 0.00 0.00 36.38 30.88 2k2t s VAL 56 CO 0.12 0.25 1.35 -0.09 -3.33 0.00 0.00 175.10 173.41 2k2t h ARG 57 N 4.77 0.24 0.00 1.54 2.43 -1.12 -3.43 114.38 118.81 2k2t h ARG 57 Ca -0.45 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.45 2k2t h ARG 57 Cb 1.21 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2k2t h ARG 57 CO 0.72 1.00 0.00 0.94 -1.51 0.00 0.00 179.97 181.12 2k2t n GLN 58 N -3.67 0.00 0.00 0.20 -0.06 -1.25 -4.94 117.38 107.67 2k2t n GLN 58 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.96 2k2t n GLN 58 Cb 0.82 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 27.00 2k2t n GLN 58 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 2k2t n GLU 59 N -1.43 0.00 -2.51 3.69 1.02 -1.26 -4.95 120.64 115.20 2k2t n GLU 59 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 2k2t n GLU 59 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 2k2t n GLU 59 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2k2t n SER 60 N -1.93 2.99 0.00 1.62 7.64 -1.26 -4.83 113.62 117.85 2k2t n SER 60 Ca 0.00 -2.85 0.00 0.00 1.01 0.00 0.00 58.87 57.03 2k2t n SER 60 Cb 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 2k2t n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64