#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 4.43 0.00 5.55 0.74 -1.26 -4.75 119.66 124.37 2k2t s GLN 6 Ca 0.00 1.91 0.00 0.00 0.05 0.00 0.00 55.36 57.32 2k2t s GLN 6 Cb 0.00 -3.26 0.00 0.00 1.10 0.00 0.00 33.01 30.85 2k2t s GLN 6 CO 0.00 -0.21 0.56 1.47 -0.55 0.00 0.00 175.29 176.55 2k2t n LEU 7 N 3.13 0.28 0.00 3.68 -0.00 -1.26 -5.01 117.00 117.82 2k2t n LEU 7 Ca 0.07 -0.28 -0.01 0.00 -0.00 0.00 0.00 56.01 55.79 2k2t n LEU 7 Cb 0.44 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.87 2k2t n LEU 7 CO 0.56 0.07 0.42 -1.54 -0.00 0.00 0.00 177.39 176.91 2k2t n SER 8 N -0.07 -0.84 -0.20 1.45 3.41 -1.26 -5.04 113.62 111.08 2k2t n SER 8 Ca 0.00 -1.42 -0.09 0.00 -0.26 0.00 0.00 58.87 57.10 2k2t n SER 8 Cb 0.46 1.35 -0.04 0.00 -0.26 0.00 0.00 64.21 65.72 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 -0.24 -5.33 4.33 4.81 -2.03 -3.35 114.58 112.76 2k2t h GLU 9 Ca -0.13 0.02 -0.60 0.00 -0.13 0.00 0.00 59.36 58.51 2k2t h GLU 9 Cb 0.60 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 29.91 2k2t h GLU 9 CO 0.18 -0.16 -0.39 0.95 -0.73 0.00 0.00 179.01 178.86 2k2t s THR 10 N -5.82 5.33 0.53 0.32 -4.23 -1.26 -4.97 115.64 105.54 2k2t s THR 10 Ca -0.14 0.40 0.37 0.00 -1.18 0.00 0.00 61.69 61.13 2k2t s THR 10 Cb 0.13 -3.58 0.37 0.00 1.34 0.00 0.00 72.50 70.76 2k2t s THR 10 CO 0.66 0.37 2.12 -0.65 -0.54 0.00 0.00 174.62 176.58 2k2t h PRO 11 N 6.98 0.00 -3.24 3.99 0.11 -1.88 -3.41 132.00 134.55 2k2t h PRO 11 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2k2t h PRO 11 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2k2t h PRO 11 CO 0.73 0.00 -0.66 0.00 -0.21 0.00 0.00 178.00 177.86 2k2t n ALA 12 N -1.97 -2.34 0.00 -0.75 0.00 -1.26 -4.26 120.51 109.92 2k2t n ALA 12 Ca -0.02 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2k2t n ALA 12 Cb 0.15 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 1.18 0.00 1.67 0.00 0.00 -1.26 -3.90 120.51 118.20 2k2t n ALA 13 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2k2t n ALA 13 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.68 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 0.71 0.00 -0.49 0.00 4.64 -1.82 -2.10 113.55 114.48 2k2t h SER 15 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k2t h SER 15 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2k2t h SER 15 CO 0.00 0.27 0.00 -0.24 -0.87 0.00 0.00 176.83 175.99 2k2t n SER 16 N -3.53 2.93 -3.36 4.97 2.88 -1.26 -4.82 113.62 111.43 2k2t n SER 16 Ca -0.01 -2.09 -0.16 0.00 -1.33 0.00 0.00 58.87 55.29 2k2t n SER 16 Cb 0.42 -0.38 0.04 0.00 -0.75 0.00 0.00 64.21 63.54 2k2t n SER 16 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2k2t n ASN 17 N 0.91 -6.48 0.26 -3.46 3.02 -0.79 -4.95 115.26 103.77 2k2t n ASN 17 Ca 0.17 -0.64 -0.15 0.00 -0.03 0.00 0.00 54.58 53.94 2k2t n ASN 17 Cb 0.49 -4.47 -0.08 0.00 -0.61 0.00 0.00 39.78 35.11 2k2t n ASN 17 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2k2t h PRO 18 N -0.81 -0.64 -0.48 3.52 0.11 -1.84 -3.10 132.00 128.76 2k2t h PRO 18 Ca -0.46 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2k2t h PRO 18 Cb 1.24 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.50 2k2t h PRO 18 CO 0.41 -0.35 0.00 0.00 -0.21 0.00 0.00 178.00 177.85 2k2t n GLY 20 N 1.44 1.40 3.96 0.00 0.00 -1.17 -3.03 105.19 107.79 2k2t n GLY 20 Ca 0.20 -0.51 -0.22 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 2.35 0.61 1.61 0.05 -1.26 -4.84 135.00 133.52 2k2t s PRO 21 Ca 0.00 -0.70 0.38 0.00 0.05 0.00 0.00 61.00 60.73 2k2t s PRO 21 Cb 0.00 -2.39 1.95 0.00 0.05 0.00 0.00 34.50 34.10 2k2t s PRO 21 CO 0.00 -0.93 2.21 1.49 0.05 0.00 0.00 177.00 179.82 2k2t h GLU 22 N -0.16 0.00 -0.18 4.56 4.57 -1.89 0.25 114.58 121.73 2k2t h GLU 22 Ca -0.42 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 57.69 2k2t h GLU 22 Cb 1.30 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.87 2k2t h GLU 22 CO 0.53 0.02 -0.18 0.00 -1.18 0.00 0.00 179.01 178.19 2k2t h ALA 23 N 1.98 1.36 0.00 2.92 0.00 -1.93 -3.37 119.26 120.22 2k2t h ALA 23 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2k2t h ALA 23 Cb 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2k2t h ALA 23 CO 0.00 0.44 -0.47 0.00 0.00 0.00 0.00 179.25 179.23 2k2t n ALA 24 N -2.48 0.41 -3.61 0.00 0.00 -0.14 -4.74 120.51 109.95 2k2t n ALA 24 Ca -0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 53.44 52.85 2k2t n ALA 24 Cb 0.32 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.72 2k2t n ALA 24 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2k2t s GLY 25 N -3.89 -0.44 0.18 0.00 0.00 -0.11 -0.38 107.32 102.68 2k2t s GLY 25 Ca -0.14 2.07 -0.24 0.00 0.00 0.00 0.00 44.72 46.41 2k2t s GLY 25 CO 0.20 1.61 0.77 -1.59 0.00 0.00 0.00 173.10 174.09 2k2t s THR 26 N 0.03 4.41 -0.20 0.90 2.01 -0.29 -4.35 115.64 118.14 2k2t s THR 26 Ca -0.01 1.61 -0.10 0.00 0.31 0.00 0.00 61.69 63.50 2k2t s THR 26 Cb -0.04 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 2k2t s THR 26 CO 0.01 0.44 0.13 0.00 -0.69 0.00 0.00 174.62 174.51 2k2t s LYS 28 N 0.45 1.39 -0.08 0.00 2.36 0.11 -3.90 119.74 120.08 2k2t s LYS 28 Ca 0.08 -0.75 -0.30 0.00 -2.55 0.00 0.00 55.97 52.45 2k2t s LYS 28 Cb -0.11 -2.34 -0.05 0.00 -1.05 0.00 0.00 37.83 34.28 2k2t s LYS 28 CO -0.01 -0.56 1.59 -1.21 1.55 0.00 0.00 175.35 176.71 2k2t s GLU 29 N 1.55 4.17 0.34 4.03 8.01 -1.26 -0.27 118.70 135.26 2k2t s GLU 29 Ca -0.03 2.08 0.05 0.00 0.01 0.00 0.00 54.97 57.08 2k2t s GLU 29 Cb -0.17 -3.96 0.05 0.00 -4.31 0.00 0.00 34.13 25.74 2k2t s GLU 29 CO -0.07 -0.85 0.41 0.25 0.01 0.00 0.00 175.26 175.01 2k2t n THR 30 N 5.52 0.00 -0.12 3.63 -2.24 0.22 -4.88 114.28 116.40 2k2t n THR 30 Ca 0.17 -1.18 -0.10 0.00 -2.27 0.00 0.00 64.05 60.67 2k2t n THR 30 Cb 0.43 -0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 68.06 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 0.15 0.56 -0.74 3.42 -0.73 -1.98 -2.98 115.58 113.27 2k2t h ASN 31 Ca -0.17 -0.24 -0.03 0.00 1.87 0.00 0.00 56.30 57.72 2k2t h ASN 31 Cb 0.74 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 39.15 2k2t h ASN 31 CO 0.25 0.66 0.33 0.28 -0.37 0.00 0.00 177.43 178.58 2k2t h SER 32 N 0.44 1.00 0.00 1.15 0.02 -2.00 -3.47 113.55 110.68 2k2t h SER 32 Ca 0.11 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2k2t h SER 32 Cb 0.32 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2k2t h SER 32 CO 0.00 0.87 0.00 0.61 -1.14 0.00 0.00 176.83 177.17 2k2t n GLY 33 N -0.93 -2.07 3.37 -3.77 0.00 -1.13 -5.15 105.19 95.52 2k2t n GLY 33 Ca 0.06 0.69 -0.13 0.00 0.00 0.00 0.00 46.02 46.64 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 0.22 1.61 1.13 -1.26 -0.61 117.35 118.07 2k2t s TYR 34 Ca 0.00 0.31 0.09 0.00 -1.41 0.00 0.00 57.07 56.06 2k2t s TYR 34 Cb 0.00 0.32 -0.05 0.00 -1.10 0.00 0.00 41.96 41.13 2k2t s TYR 34 CO 0.00 -0.65 -0.16 0.96 -2.51 0.00 0.00 175.55 173.19 2k2t s ILE 35 N -2.78 1.90 -0.15 -3.49 -4.36 0.63 -4.76 121.20 108.20 2k2t s ILE 35 Ca -0.03 -2.24 0.01 0.00 -0.26 0.00 0.00 60.65 58.13 2k2t s ILE 35 Cb -0.00 -2.09 0.02 0.00 1.25 0.00 0.00 42.46 41.64 2k2t s ILE 35 CO -0.04 -0.54 -0.16 0.00 0.24 0.00 0.00 174.94 174.44 2k2t s ARG 37 N 1.34 2.85 0.15 0.00 6.06 0.87 -4.91 118.95 125.30 2k2t s ARG 37 Ca 0.03 -1.71 -0.29 0.00 -2.50 0.00 0.00 55.73 51.25 2k2t s ARG 37 Cb -0.13 -4.19 -0.07 0.00 0.06 0.00 0.00 34.95 30.62 2k2t s ARG 37 CO -0.09 -1.28 0.92 0.00 -2.50 0.00 0.00 175.30 172.35 2k2t s ASN 39 N -0.45 5.40 0.05 0.00 0.01 0.48 -4.87 114.94 115.57 2k2t s ASN 39 Ca 0.44 1.91 -0.30 0.00 -0.71 0.00 0.00 52.86 54.19 2k2t s ASN 39 Cb -0.24 -2.54 -0.09 0.00 0.41 0.00 0.00 41.25 38.79 2k2t s ASN 39 CO 0.30 -1.43 1.93 -1.58 -1.51 0.00 0.00 177.10 174.80 2k2t s GLN 40 N -4.12 4.14 0.00 -0.60 2.00 -1.26 -0.82 119.66 119.00 2k2t s GLN 40 Ca 0.65 2.60 0.00 0.00 -2.00 0.00 0.00 55.36 56.61 2k2t s GLN 40 Cb -0.18 -4.03 0.00 0.00 0.80 0.00 0.00 33.01 29.60 2k2t s GLN 40 CO 0.40 -0.93 0.00 0.41 -0.50 0.00 0.00 175.29 174.67 2k2t n GLY 41 N 4.46 1.49 3.43 2.59 0.00 -1.26 -4.65 105.19 111.25 2k2t n GLY 41 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.00 2.02 0.05 1.61 2.02 0.00 -0.80 117.35 120.25 2k2t s TYR 42 Ca 0.00 -0.56 -0.00 0.00 -0.37 0.00 0.00 57.07 56.14 2k2t s TYR 42 Cb 0.00 -1.05 -0.03 0.00 -0.40 0.00 0.00 41.96 40.48 2k2t s TYR 42 CO 0.00 0.43 -0.04 -0.98 -1.57 0.00 0.00 175.55 173.40 2k2t s ARG 43 N -3.64 0.56 -0.02 -0.62 1.70 0.21 -4.61 118.95 112.52 2k2t s ARG 43 Ca 0.28 -1.04 -0.27 0.00 -0.47 0.00 0.00 55.73 54.24 2k2t s ARG 43 Cb 0.01 0.08 -0.03 0.00 -0.57 0.00 0.00 34.95 34.43 2k2t s ARG 43 CO 0.12 -0.07 0.85 0.42 -1.08 0.00 0.00 175.30 175.54 2k2t s ILE 44 N -3.01 4.93 0.11 4.99 -1.09 -1.26 -0.65 121.20 125.22 2k2t s ILE 44 Ca 0.00 1.77 0.04 0.00 -2.23 0.00 0.00 60.65 60.24 2k2t s ILE 44 Cb 0.01 -4.19 -0.04 0.00 -1.58 0.00 0.00 42.46 36.67 2k2t s ILE 44 CO -0.06 0.21 -0.11 -0.55 -1.23 0.00 0.00 174.94 173.21 2k2t s SER 45 N 0.85 1.59 -0.12 3.58 0.15 -0.01 -4.92 113.70 114.82 2k2t s SER 45 Ca 0.45 -0.85 -0.04 0.00 0.70 0.00 0.00 55.95 56.21 2k2t s SER 45 Cb -0.20 -0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.07 2k2t s SER 45 CO 0.24 -0.26 0.03 -0.76 1.20 0.00 0.00 173.24 173.69 2k2t s LEU 46 N -2.57 3.73 0.55 3.45 1.43 -1.26 -0.08 118.68 123.93 2k2t s LEU 46 Ca 0.08 0.16 0.22 0.00 -1.03 0.00 0.00 54.13 53.56 2k2t s LEU 46 Cb -0.02 -1.89 1.49 0.00 0.03 0.00 0.00 46.19 45.80 2k2t s LEU 46 CO 0.01 0.32 2.16 -2.24 0.23 0.00 0.00 176.35 176.83 2k2t h ASP 47 N 5.61 0.00 0.00 2.29 2.03 -1.81 -3.46 116.42 121.08 2k2t h ASP 47 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 2k2t h ASP 47 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 2k2t h ASP 47 CO 0.59 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 179.41 2k2t n GLY 48 N -1.47 2.85 0.08 7.15 0.00 -1.26 -4.91 105.19 107.63 2k2t n GLY 48 Ca -0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 2k2t n GLY 48 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2k2t h THR 49 N 0.00 1.06 0.00 2.61 1.35 -2.03 -3.47 112.91 112.43 2k2t h THR 49 Ca 0.00 -2.86 0.00 0.00 -0.55 0.00 0.00 66.41 63.00 2k2t h THR 49 Cb 0.00 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 2k2t h THR 49 CO 0.00 0.61 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 2k2t n GLY 50 N 1.49 0.86 3.78 5.82 0.00 -1.26 -5.13 105.19 110.74 2k2t n GLY 50 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.22 7.37 -0.43 1.61 0.01 -1.26 -4.88 114.94 116.15 2k2t s ASN 51 Ca 0.00 1.74 -0.29 0.00 -0.71 0.00 0.00 52.86 53.60 2k2t s ASN 51 Cb 0.00 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 39.15 2k2t s ASN 51 CO 0.00 0.07 1.17 -0.69 -1.51 0.00 0.00 177.10 176.14 2k2t s VAL 52 N -1.39 4.23 0.40 1.60 1.01 -1.26 -2.42 120.40 122.57 2k2t s VAL 52 Ca 0.43 1.30 0.07 0.00 0.00 0.00 0.00 61.98 63.78 2k2t s VAL 52 Cb -0.21 -4.50 -0.08 0.00 0.00 0.00 0.00 36.38 31.59 2k2t s VAL 52 CO 0.26 -0.85 0.01 0.42 0.00 0.00 0.00 175.10 174.94 2k2t s THR 53 N 4.40 1.94 -0.07 3.92 -4.23 0.89 -4.44 115.64 118.04 2k2t s THR 53 Ca 0.49 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.04 2k2t s THR 53 Cb -0.09 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.77 2k2t s THR 53 CO 0.28 -0.00 -0.18 0.00 -0.54 0.00 0.00 174.62 174.18 2k2t s ILE 55 N 0.34 0.70 0.31 0.00 -4.36 0.18 -4.75 121.20 113.61 2k2t s ILE 55 Ca -0.12 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 57.98 2k2t s ILE 55 Cb -0.15 -2.67 -0.10 0.00 1.25 0.00 0.00 42.46 40.79 2k2t s ILE 55 CO 0.05 -0.00 1.14 0.54 0.24 0.00 0.00 174.94 176.90 2k2t s VAL 56 N -3.65 3.34 0.09 8.37 0.11 -1.26 0.63 120.40 128.04 2k2t s VAL 56 Ca 0.38 1.31 -0.09 0.00 -2.93 0.00 0.00 61.98 60.65 2k2t s VAL 56 Cb 0.08 -3.82 -0.23 0.00 -1.53 0.00 0.00 36.38 30.88 2k2t s VAL 56 CO 0.14 0.28 1.21 -0.09 -3.33 0.00 0.00 175.10 173.31 2k2t h ARG 57 N 3.56 0.53 0.00 1.54 2.43 -1.16 -3.41 114.38 117.87 2k2t h ARG 57 Ca -0.47 -0.62 0.00 0.00 -0.81 0.00 0.00 59.98 58.07 2k2t h ARG 57 Cb 1.22 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 2k2t h ARG 57 CO 0.66 1.24 0.00 0.94 -1.51 0.00 0.00 179.97 181.30 2k2t n GLN 58 N -3.76 0.00 -3.15 0.20 7.27 -0.34 -5.01 117.38 112.59 2k2t n GLN 58 Ca -0.10 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.03 2k2t n GLN 58 Cb 0.90 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 33.55 2k2t n GLN 58 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2k2t s GLU 59 N -1.46 0.14 -1.51 3.69 2.56 -1.26 -4.93 118.70 115.94 2k2t s GLU 59 Ca 0.00 0.15 -0.13 0.00 0.00 0.00 0.00 54.97 54.99 2k2t s GLU 59 Cb 0.00 0.07 0.08 0.00 2.00 0.00 0.00 34.13 36.28 2k2t s GLU 59 CO 0.00 -0.26 0.86 0.45 -0.56 0.00 0.00 175.26 175.75 2k2t n SER 60 N 5.13 -4.65 0.00 -1.70 2.88 -1.26 -5.14 113.62 108.88 2k2t n SER 60 Ca 0.09 -0.69 0.00 0.00 -1.33 0.00 0.00 58.87 56.93 2k2t n SER 60 Cb 0.58 -3.74 0.00 0.00 -0.75 0.00 0.00 64.21 60.30 2k2t n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42