#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1i s ARG 2 N 0.00 2.93 0.00 5.56 0.52 -1.26 -4.93 118.95 121.76 2k1i s ARG 2 Ca 0.00 -1.60 0.00 0.00 -0.52 0.00 0.00 55.73 53.61 2k1i s ARG 2 Cb 0.00 -4.20 0.00 0.00 0.52 0.00 0.00 34.95 31.27 2k1i s ARG 2 CO 0.00 -1.22 0.00 -2.37 0.02 0.00 0.00 175.30 171.73 2k1i n THR 3 N 5.19 0.00 -3.74 0.02 5.66 -1.26 -4.97 114.28 115.19 2k1i n THR 3 Ca -0.13 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.51 2k1i n THR 3 Cb 0.41 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.13 2k1i n THR 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k1i s HIS 5 N -0.47 0.76 -0.14 0.00 5.04 -0.10 -4.99 115.29 115.38 2k1i s HIS 5 Ca 0.15 -1.05 0.01 0.00 -1.54 0.00 0.00 55.06 52.63 2k1i s HIS 5 Cb -0.13 -0.02 -0.00 0.00 0.04 0.00 0.00 32.58 32.47 2k1i s HIS 5 CO 0.04 -1.00 -0.17 0.00 -2.34 0.00 0.00 174.74 171.27 2k1i s ARG 7 N 0.66 1.38 0.19 0.00 1.70 -0.71 -4.93 118.95 117.25 2k1i s ARG 7 Ca -0.09 -1.28 -0.12 0.00 -0.47 0.00 0.00 55.73 53.78 2k1i s ARG 7 Cb -0.16 0.42 0.14 0.00 -0.57 0.00 0.00 34.95 34.78 2k1i s ARG 7 CO 0.02 -0.54 1.82 0.66 -1.08 0.00 0.00 175.30 176.18 2k1i h SER 8 N 2.39 0.58 -3.73 -2.89 4.64 -1.86 0.93 113.55 113.60 2k1i h SER 8 Ca -0.29 0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 60.87 2k1i h SER 8 Cb 1.24 -0.12 -0.26 0.00 -0.31 0.00 0.00 62.40 62.96 2k1i h SER 8 CO 0.42 0.40 -0.42 -0.13 -0.87 0.00 0.00 176.83 176.23 2k1i s ARG 9 N -6.13 0.29 -0.36 4.77 0.52 -1.26 -4.25 118.95 112.53 2k1i s ARG 9 Ca -0.13 0.40 -0.28 0.00 -0.52 0.00 0.00 55.73 55.20 2k1i s ARG 9 Cb 0.14 0.10 0.02 0.00 0.52 0.00 0.00 34.95 35.73 2k1i s ARG 9 CO 0.75 -0.06 1.06 0.00 0.02 0.00 0.00 175.30 177.07 2k1i s LEU 11 N 3.79 1.91 0.00 0.00 1.02 -1.26 -4.82 118.68 119.31 2k1i s LEU 11 Ca 0.45 1.31 0.00 0.00 0.02 0.00 0.00 54.13 55.91 2k1i s LEU 11 Cb -0.11 -3.61 0.00 0.00 0.02 0.00 0.00 46.19 42.49 2k1i s LEU 11 CO 0.19 -2.88 0.19 0.54 0.02 0.00 0.00 176.35 174.41 2k1i n ARG 12 N -4.03 0.30 -0.00 1.70 1.74 -1.26 -1.65 116.66 113.46 2k1i n ARG 12 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2k1i n ARG 12 Cb 0.56 -1.20 -0.02 0.00 -1.02 0.00 0.00 32.46 30.79 2k1i n ARG 12 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2k1i n ARG 13 N 0.48 1.60 -4.98 5.56 1.74 -1.26 -5.01 116.66 114.79 2k1i n ARG 13 Ca 0.00 -0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.74 2k1i n ARG 13 Cb 0.09 -1.05 -0.16 0.00 -1.02 0.00 0.00 32.46 30.33 2k1i n ARG 13 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2k1i s GLU 14 N -2.10 3.21 0.30 5.56 0.41 -0.66 -4.87 118.70 120.55 2k1i s GLU 14 Ca -0.01 -0.78 -0.28 0.00 -0.41 0.00 0.00 54.97 53.50 2k1i s GLU 14 Cb 0.01 -2.47 -0.09 0.00 -1.78 0.00 0.00 34.13 29.79 2k1i s GLU 14 CO 0.08 0.21 1.04 -1.12 -0.49 0.00 0.00 175.26 174.98 2k1i s SER 15 N 0.32 7.24 -0.39 -0.19 0.01 0.18 -4.51 113.70 116.35 2k1i s SER 15 Ca -0.14 2.11 -0.26 0.00 1.31 0.00 0.00 55.95 58.97 2k1i s SER 15 Cb -0.17 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.47 2k1i s SER 15 CO 0.07 -0.15 0.95 0.54 0.41 0.00 0.00 173.24 175.06 2k1i s ASN 16 N -1.17 6.65 -0.27 2.44 4.22 -1.26 -0.17 114.94 125.39 2k1i s ASN 16 Ca 0.47 0.50 -0.15 0.00 -2.14 0.00 0.00 52.86 51.55 2k1i s ASN 16 Cb -0.27 -2.47 -0.12 0.00 1.28 0.00 0.00 41.25 39.66 2k1i s ASN 16 CO 0.34 -0.93 -0.29 -1.54 -2.04 0.00 0.00 177.10 172.64 2k1i n SER 17 N 6.95 1.95 0.00 3.54 3.41 -0.69 -4.98 113.62 123.80 2k1i n SER 17 Ca 0.08 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 2k1i n SER 17 Cb 0.48 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 2k1i n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k1i n GLY 18 N 1.28 4.59 3.41 5.00 0.00 -1.11 -5.02 105.19 113.34 2k1i n GLY 18 Ca -0.50 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 2k1i n GLY 18 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k1i s SER 19 N 1.52 -0.21 -0.08 1.61 1.04 -1.26 -1.51 113.70 114.81 2k1i s SER 19 Ca 0.00 -0.45 -0.06 0.00 0.48 0.00 0.00 55.95 55.91 2k1i s SER 19 Cb 0.00 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.66 2k1i s SER 19 CO 0.00 -0.94 0.19 0.00 0.98 0.00 0.00 173.24 173.47 2k1i s ASN 21 N 0.34 6.27 -0.11 0.00 0.02 -1.26 -0.24 114.94 119.95 2k1i s ASN 21 Ca -0.02 -0.64 0.02 0.00 -1.02 0.00 0.00 52.86 51.20 2k1i s ASN 21 Cb -0.03 -2.32 0.02 0.00 0.02 0.00 0.00 41.25 38.94 2k1i s ASN 21 CO -0.01 -0.88 -0.15 -0.63 0.02 0.00 0.00 177.10 175.45 2k1i s ILE 22 N 2.84 1.48 0.00 0.60 1.01 -1.26 -4.71 121.20 121.16 2k1i s ILE 22 Ca 0.19 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.21 2k1i s ILE 22 Cb -0.17 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 40.94 2k1i s ILE 22 CO 0.15 0.44 0.00 0.59 0.00 0.00 0.00 174.94 176.12 2k1i n ASN 23 N 4.25 -3.99 -0.19 3.58 5.03 -1.26 -0.30 115.26 122.37 2k1i n ASN 23 Ca -0.19 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.24 2k1i n ASN 23 Cb 0.51 -2.55 -0.01 0.00 -1.02 0.00 0.00 39.78 36.71 2k1i n ASN 23 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2k1i n GLY 24 N 0.62 0.58 0.61 7.41 0.00 -1.26 -4.89 105.19 108.26 2k1i n GLY 24 Ca 0.00 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.60 2k1i n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k1i n ARG 25 N -2.63 1.82 -2.80 1.61 1.74 0.59 -5.00 116.66 111.98 2k1i n ARG 25 Ca -0.02 -1.21 -0.01 0.00 -0.77 0.00 0.00 57.85 55.83 2k1i n ARG 25 Cb 0.12 -1.45 -0.01 0.00 -1.02 0.00 0.00 32.46 30.10 2k1i n ARG 25 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2k1i n ILE 26 N 0.45 -9.90 -3.68 0.55 2.08 -1.26 -4.93 119.36 102.68 2k1i n ILE 26 Ca 0.18 1.71 -0.37 0.00 0.56 0.00 0.00 62.75 64.83 2k1i n ILE 26 Cb 0.39 -5.93 -0.10 0.00 -0.75 0.00 0.00 39.64 33.24 2k1i n ILE 26 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 2k1i s PHE 27 N -1.24 3.25 0.33 1.39 0.40 0.67 -4.65 117.98 118.13 2k1i s PHE 27 Ca -0.06 0.10 -0.27 0.00 -0.60 0.00 0.00 56.93 56.10 2k1i s PHE 27 Cb 0.00 -2.28 -0.09 0.00 0.51 0.00 0.00 43.02 41.16 2k1i s PHE 27 CO 0.61 -0.05 1.07 -1.12 0.70 0.00 0.00 175.22 176.43 2k1i s SER 28 N 1.28 7.07 -0.85 1.36 0.01 0.32 0.11 113.70 123.00 2k1i s SER 28 Ca 0.07 2.15 -0.18 0.00 1.31 0.00 0.00 55.95 59.30 2k1i s SER 28 Cb -0.14 -2.61 0.15 0.00 0.21 0.00 0.00 66.02 63.62 2k1i s SER 28 CO 0.06 -0.28 0.98 -0.22 0.41 0.00 0.00 173.24 174.19 2k1i s LEU 29 N -1.95 5.47 -0.05 2.44 2.96 -0.57 -1.73 118.68 125.24 2k1i s LEU 29 Ca 0.50 -2.06 -0.12 0.00 -0.22 0.00 0.00 54.13 52.23 2k1i s LEU 29 Cb -0.27 -2.34 -0.05 0.00 0.50 0.00 0.00 46.19 44.03 2k1i s LEU 29 CO 0.35 -0.97 0.31 0.00 -1.32 0.00 0.00 176.35 174.71