#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 0.05 0.00 5.55 6.02 -1.26 -4.69 117.38 123.05 2k2t n GLN 6 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2k2t n GLN 6 Cb 0.00 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 29.75 2k2t n GLN 6 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2k2t n LEU 7 N -1.58 0.67 0.05 1.08 4.77 -1.25 -5.06 117.00 115.68 2k2t n LEU 7 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2k2t n LEU 7 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2k2t n LEU 7 CO 0.39 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.25 2k2t n SER 8 N -0.15 -0.50 -0.01 -1.43 7.64 -1.26 -4.99 113.62 112.92 2k2t n SER 8 Ca 0.00 0.20 -0.01 0.00 1.01 0.00 0.00 58.87 60.07 2k2t n SER 8 Cb 0.00 0.64 -0.02 0.00 -1.01 0.00 0.00 64.21 63.82 2k2t n SER 8 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2k2t n GLU 9 N -2.79 3.67 -3.79 1.43 0.28 -1.26 -5.01 120.64 113.17 2k2t n GLU 9 Ca 0.00 -0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.65 2k2t n GLU 9 Cb 0.00 -1.05 -0.08 0.00 1.43 0.00 0.00 31.44 31.74 2k2t n GLU 9 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 2k2t s THR 10 N -2.05 5.37 -0.06 3.84 -4.23 -1.26 -4.98 115.64 112.27 2k2t s THR 10 Ca -0.01 0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 2k2t s THR 10 Cb 0.01 -3.43 0.00 0.00 1.34 0.00 0.00 72.50 70.42 2k2t s THR 10 CO 0.08 0.48 0.87 -2.65 -0.54 0.00 0.00 174.62 172.86 2k2t n PRO 11 N 3.21 0.90 0.00 3.99 -0.02 -1.26 -3.95 135.00 137.87 2k2t n PRO 11 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2k2t n PRO 11 Cb 0.53 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.93 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 0.52 0.00 0.22 3.55 0.00 -1.26 -0.10 120.51 123.44 2k2t n ALA 12 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2k2t n ALA 12 Cb 0.44 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.40 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 -0.55 1.33 -0.19 0.00 0.00 -1.92 -1.08 119.26 116.85 2k2t h ALA 13 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2k2t h ALA 13 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2k2t h ALA 13 CO 0.00 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.56 2k2t h SER 15 N 3.18 0.00 -0.25 0.00 0.87 -1.21 -1.79 113.55 114.36 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 0.69 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 2k2t h SER 15 CO 0.00 0.11 0.00 -1.20 -0.53 0.00 0.00 176.83 175.21 2k2t n SER 16 N -3.29 1.69 -3.22 6.23 7.64 -1.26 -4.90 113.62 116.51 2k2t n SER 16 Ca 0.00 -1.84 -0.10 0.00 1.01 0.00 0.00 58.87 57.94 2k2t n SER 16 Cb 0.35 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 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 0.37 -6.99 -0.16 6.43 3.02 -0.67 -4.91 115.26 112.35 2k2t n ASN 17 Ca 0.14 -0.17 -0.10 0.00 -0.03 0.00 0.00 54.58 54.42 2k2t n ASN 17 Cb 0.30 -4.22 -0.00 0.00 -0.61 0.00 0.00 39.78 35.25 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 0.70 0.84 -0.00 3.52 0.11 -1.84 -2.16 132.00 133.17 2k2t h PRO 18 Ca -0.19 -0.27 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2k2t h PRO 18 Cb 1.12 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2k2t h PRO 18 CO 0.29 0.89 -0.03 0.00 -0.21 0.00 0.00 178.00 178.94 2k2t n GLY 20 N 1.18 0.90 3.85 0.00 0.00 -0.81 -3.82 105.19 106.49 2k2t n GLY 20 Ca 0.18 -1.41 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 2k2t n GLY 20 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2k2t s PRO 21 N 0.00 1.36 0.22 1.61 0.02 -1.26 -4.76 135.00 132.19 2k2t s PRO 21 Ca 0.00 0.10 -0.07 0.00 0.02 0.00 0.00 61.00 61.06 2k2t s PRO 21 Cb 0.00 -1.88 0.20 0.00 0.02 0.00 0.00 34.50 32.84 2k2t s PRO 21 CO 0.00 -2.01 1.79 0.93 -0.33 0.00 0.00 177.00 177.37 2k2t h GLU 22 N -1.36 1.14 0.00 5.54 5.08 -1.94 -1.92 114.58 121.12 2k2t h GLU 22 Ca -0.47 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 57.67 2k2t h GLU 22 Cb 1.32 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 2k2t h GLU 22 CO 0.60 0.94 -0.03 0.00 -1.00 0.00 0.00 179.01 179.52 2k2t h ALA 23 N 1.20 1.32 0.00 3.43 0.00 -1.97 -2.87 119.26 120.36 2k2t h ALA 23 Ca 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2k2t h ALA 23 Cb 0.23 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2k2t h ALA 23 CO -0.02 0.03 -0.10 0.00 0.00 0.00 0.00 179.25 179.16 2k2t h ALA 24 N 1.97 0.01 -1.86 0.00 0.00 -1.67 -3.43 119.26 114.29 2k2t h ALA 24 Ca -0.00 -0.25 0.19 0.00 0.00 0.00 0.00 54.91 54.85 2k2t h ALA 24 Cb 0.09 0.08 -0.16 0.00 0.00 0.00 0.00 17.79 17.80 2k2t h ALA 24 CO 0.00 0.08 0.66 0.20 0.00 0.00 0.00 179.25 180.19 2k2t s GLY 25 N -3.87 -0.37 -0.10 0.00 0.00 -0.93 -0.80 107.32 101.26 2k2t s GLY 25 Ca -0.08 1.22 -0.05 0.00 0.00 0.00 0.00 44.72 45.81 2k2t s GLY 25 CO 0.25 0.40 0.10 -1.59 0.00 0.00 0.00 173.10 172.26 2k2t s THR 26 N -2.76 5.10 -0.04 0.90 2.01 0.20 -4.36 115.64 116.70 2k2t s THR 26 Ca 0.08 0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.08 2k2t s THR 26 Cb -0.01 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 2k2t s THR 26 CO -0.06 0.58 0.05 0.00 -0.69 0.00 0.00 174.62 174.50 2k2t s LYS 28 N -1.40 1.18 0.06 0.00 2.47 0.17 -4.62 119.74 117.59 2k2t s LYS 28 Ca 0.19 -0.14 -0.31 0.00 -1.56 0.00 0.00 55.97 54.15 2k2t s LYS 28 Cb -0.12 -1.29 -0.07 0.00 -1.46 0.00 0.00 37.83 34.89 2k2t s LYS 28 CO 0.09 -0.23 1.55 -1.21 0.16 0.00 0.00 175.35 175.71 2k2t s GLU 29 N 1.60 4.24 0.48 4.03 8.01 -1.26 -0.43 118.70 135.36 2k2t s GLU 29 Ca 0.01 2.19 0.07 0.00 0.01 0.00 0.00 54.97 57.26 2k2t s GLU 29 Cb -0.13 -3.53 0.01 0.00 -4.31 0.00 0.00 34.13 26.17 2k2t s GLU 29 CO -0.05 -0.65 0.44 0.95 0.01 0.00 0.00 175.26 175.95 2k2t s THR 30 N 2.35 2.28 0.00 3.63 -4.23 -0.04 -4.92 115.64 114.71 2k2t s THR 30 Ca 0.70 -1.35 -0.04 0.00 -1.18 0.00 0.00 61.69 59.82 2k2t s THR 30 Cb -0.37 -2.63 -0.18 0.00 1.34 0.00 0.00 72.50 70.66 2k2t s THR 30 CO 0.30 0.00 3.09 -0.46 -0.54 0.00 0.00 174.62 177.01 2k2t n ASN 31 N -1.70 5.23 0.00 3.99 0.23 -1.26 -2.83 115.26 118.91 2k2t n ASN 31 Ca 0.03 -2.45 0.00 0.00 -0.53 0.00 0.00 54.58 51.64 2k2t n ASN 31 Cb 0.63 -1.32 0.00 0.00 -2.08 0.00 0.00 39.78 37.01 2k2t n ASN 31 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2k2t n SER 32 N 2.19 0.00 0.00 0.53 2.88 -1.26 -5.12 113.62 112.83 2k2t n SER 32 Ca 0.29 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 2k2t n SER 32 Cb 0.78 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 64.30 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 -1.37 -1.87 3.22 0.46 0.00 -1.13 -5.16 105.19 99.35 2k2t n GLY 33 Ca 0.00 0.82 -0.13 0.00 0.00 0.00 0.00 46.02 46.71 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 1.01 -0.13 0.19 1.61 1.13 -1.26 -0.86 117.35 119.04 2k2t s TYR 34 Ca 0.00 0.13 0.05 0.00 -1.41 0.00 0.00 57.07 55.84 2k2t s TYR 34 Cb 0.00 0.07 -0.05 0.00 -1.10 0.00 0.00 41.96 40.88 2k2t s TYR 34 CO 0.00 -0.40 -0.08 0.96 -2.51 0.00 0.00 175.55 173.51 2k2t s ILE 35 N -1.65 1.30 -0.09 -3.49 -4.36 0.43 -4.83 121.20 108.52 2k2t s ILE 35 Ca -0.12 -2.09 0.04 0.00 -0.26 0.00 0.00 60.65 58.22 2k2t s ILE 35 Cb -0.04 -2.07 -0.00 0.00 1.25 0.00 0.00 42.46 41.59 2k2t s ILE 35 CO 0.02 -0.57 -0.23 0.00 0.24 0.00 0.00 174.94 174.41 2k2t s ARG 37 N 0.29 2.22 0.40 0.00 6.06 0.10 -4.96 118.95 123.06 2k2t s ARG 37 Ca -0.16 -1.71 -0.24 0.00 -2.50 0.00 0.00 55.73 51.12 2k2t s ARG 37 Cb -0.17 -3.65 -0.09 0.00 0.06 0.00 0.00 34.95 31.10 2k2t s ARG 37 CO 0.07 -1.04 1.09 0.00 -2.50 0.00 0.00 175.30 172.92 2k2t s ASN 39 N -1.41 3.89 -0.48 0.00 0.01 0.02 -4.86 114.94 112.09 2k2t s ASN 39 Ca 0.58 0.81 -0.27 0.00 -0.71 0.00 0.00 52.86 53.26 2k2t s ASN 39 Cb -0.25 -1.29 -0.03 0.00 0.41 0.00 0.00 41.25 40.09 2k2t s ASN 39 CO 0.31 -2.30 2.01 -1.58 -1.51 0.00 0.00 177.10 174.04 2k2t s GLN 40 N -5.48 2.71 0.00 -0.60 0.74 -1.26 -1.09 119.66 114.67 2k2t s GLN 40 Ca 0.64 1.12 0.00 0.00 0.05 0.00 0.00 55.36 57.17 2k2t s GLN 40 Cb -0.12 -4.39 0.00 0.00 1.10 0.00 0.00 33.01 29.60 2k2t s GLN 40 CO 0.51 -2.61 0.00 0.41 -0.55 0.00 0.00 175.29 173.06 2k2t n GLY 41 N 5.71 0.24 3.31 2.59 0.00 -1.26 -4.91 105.19 110.86 2k2t n GLY 41 Ca 0.26 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.14 1.49 0.09 1.61 1.51 -0.25 -1.74 117.35 118.92 2k2t s TYR 42 Ca 0.00 -0.79 -0.05 0.00 -1.01 0.00 0.00 57.07 55.22 2k2t s TYR 42 Cb 0.00 -0.80 -0.02 0.00 -0.11 0.00 0.00 41.96 41.03 2k2t s TYR 42 CO 0.00 0.09 0.10 -0.98 -1.11 0.00 0.00 175.55 173.66 2k2t s ARG 43 N -3.77 0.81 0.22 -0.62 1.70 0.35 -4.58 118.95 113.07 2k2t s ARG 43 Ca 0.23 -1.15 -0.28 0.00 -0.47 0.00 0.00 55.73 54.05 2k2t s ARG 43 Cb 0.03 0.29 -0.09 0.00 -0.57 0.00 0.00 34.95 34.61 2k2t s ARG 43 CO 0.05 -0.23 0.89 0.42 -1.08 0.00 0.00 175.30 175.35 2k2t s ILE 44 N -3.92 4.16 0.04 4.99 -1.09 -1.26 -0.48 121.20 123.64 2k2t s ILE 44 Ca 0.10 1.97 -0.10 0.00 -2.23 0.00 0.00 60.65 60.39 2k2t s ILE 44 Cb 0.06 -4.27 0.01 0.00 -1.58 0.00 0.00 42.46 36.68 2k2t s ILE 44 CO -0.07 0.51 0.21 -0.55 -1.23 0.00 0.00 174.94 173.80 2k2t s SER 45 N -1.17 0.01 0.05 3.58 0.15 -0.38 -4.87 113.70 111.06 2k2t s SER 45 Ca 0.39 -0.34 -0.06 0.00 0.70 0.00 0.00 55.95 56.64 2k2t s SER 45 Cb -0.25 0.30 -0.05 0.00 -1.71 0.00 0.00 66.02 64.31 2k2t s SER 45 CO 0.30 -0.56 0.30 -0.76 1.20 0.00 0.00 173.24 173.73 2k2t s LEU 46 N -2.06 4.35 0.31 3.45 1.43 -1.26 -0.83 118.68 124.07 2k2t s LEU 46 Ca -0.05 0.58 0.23 0.00 -1.03 0.00 0.00 54.13 53.86 2k2t s LEU 46 Cb -0.01 -2.85 1.13 0.00 0.03 0.00 0.00 46.19 44.48 2k2t s LEU 46 CO -0.04 0.20 1.71 -2.24 0.23 0.00 0.00 176.35 176.22 2k2t h ASP 47 N 3.68 0.00 0.00 2.29 2.03 -1.64 -3.45 116.42 119.33 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 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 2k2t h ASP 47 CO 0.68 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 179.50 2k2t n GLY 48 N -0.67 0.73 0.04 7.15 0.00 -1.26 -4.88 105.19 106.30 2k2t n GLY 48 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 0.53 0.00 2.61 -2.24 -1.26 -4.98 114.28 108.94 2k2t n THR 49 Ca 0.00 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 2k2t n THR 49 Cb 0.00 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 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 1.65 0.90 3.73 3.38 0.00 -1.26 -5.13 105.19 108.46 2k2t n GLY 50 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.90 7.23 -0.44 1.61 0.01 -1.26 -4.87 114.94 116.32 2k2t s ASN 51 Ca 0.00 1.47 -0.29 0.00 -0.71 0.00 0.00 52.86 53.33 2k2t s ASN 51 Cb 0.00 -2.49 0.03 0.00 0.41 0.00 0.00 41.25 39.20 2k2t s ASN 51 CO 0.00 -0.06 1.12 -0.69 -1.51 0.00 0.00 177.10 175.96 2k2t s VAL 52 N 0.26 4.29 0.38 1.60 1.01 -1.26 -1.60 120.40 125.07 2k2t s VAL 52 Ca 0.41 1.36 0.04 0.00 0.00 0.00 0.00 61.98 63.79 2k2t s VAL 52 Cb -0.20 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.58 2k2t s VAL 52 CO 0.24 -0.87 0.08 0.28 0.00 0.00 0.00 175.10 174.82 2k2t s THR 53 N 4.24 1.01 -0.08 3.92 -1.32 -0.01 -4.38 115.64 119.03 2k2t s THR 53 Ca 0.47 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.99 2k2t s THR 53 Cb -0.08 -2.57 0.00 0.00 -1.51 0.00 0.00 72.50 68.34 2k2t s THR 53 CO 0.27 0.00 -0.20 0.00 -2.21 0.00 0.00 174.62 172.48 2k2t s ILE 55 N 0.33 1.73 0.08 0.00 -4.36 0.37 -4.71 121.20 114.64 2k2t s ILE 55 Ca -0.14 -1.06 -0.31 0.00 -0.26 0.00 0.00 60.65 58.87 2k2t s ILE 55 Cb -0.16 -1.46 -0.08 0.00 1.25 0.00 0.00 42.46 42.00 2k2t s ILE 55 CO 0.06 0.37 1.55 0.54 0.24 0.00 0.00 174.94 177.70 2k2t s VAL 56 N -0.64 3.14 -0.07 8.37 0.11 -1.26 -0.49 120.40 129.55 2k2t s VAL 56 Ca 0.08 0.67 0.04 0.00 -2.93 0.00 0.00 61.98 59.84 2k2t s VAL 56 Cb -0.09 -3.43 0.00 0.00 -1.53 0.00 0.00 36.38 31.33 2k2t s VAL 56 CO 0.00 0.02 -0.20 -0.60 -3.33 0.00 0.00 175.10 170.99 2k2t s ARG 57 N 2.07 2.39 0.19 1.54 6.06 -0.71 -4.87 118.95 125.62 2k2t s ARG 57 Ca 0.70 -0.72 -0.21 0.00 -2.50 0.00 0.00 55.73 53.00 2k2t s ARG 57 Cb -0.38 -1.91 0.12 0.00 0.06 0.00 0.00 34.95 32.84 2k2t s ARG 57 CO 0.31 0.19 1.58 0.37 -2.50 0.00 0.00 175.30 175.25 2k2t h GLN 58 N 6.58 -0.16 -6.15 5.12 4.15 -1.95 -3.40 115.11 119.30 2k2t h GLN 58 Ca -0.27 0.01 -0.58 0.00 0.77 0.00 0.00 58.65 58.58 2k2t h GLN 58 Cb 1.20 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.89 2k2t h GLN 58 CO 0.47 -0.10 -0.27 -2.00 -1.93 0.00 0.00 178.83 174.99 2k2t s GLU 59 N -5.99 3.69 -1.17 1.69 2.12 -1.26 -4.95 118.70 112.83 2k2t s GLU 59 Ca -0.14 0.05 -0.12 0.00 0.36 0.00 0.00 54.97 55.11 2k2t s GLU 59 Cb 0.16 -2.90 -0.07 0.00 0.26 0.00 0.00 34.13 31.58 2k2t s GLU 59 CO 0.69 0.50 2.31 0.43 -0.54 0.00 0.00 175.26 178.65 2k2t n SER 60 N 0.46 5.18 0.00 -1.70 7.64 -1.26 -4.66 113.62 119.27 2k2t n SER 60 Ca -0.05 -2.56 0.00 0.00 1.01 0.00 0.00 58.87 57.27 2k2t n SER 60 Cb 0.52 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 2k2t n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64