#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q2i s PRO 2 N 0.00 1.53 -0.30 0.54 0.04 -1.26 -5.08 135.00 130.48 1q2i s PRO 2 Ca 0.00 0.67 -0.16 0.00 0.04 0.00 0.00 61.00 61.55 1q2i s PRO 2 Cb 0.00 -1.85 0.18 0.00 0.04 0.00 0.00 34.50 32.87 1q2i s PRO 2 CO 0.00 -2.01 1.13 -1.17 0.04 0.00 0.00 177.00 174.99 1q2i s LEU 3 N -6.03 -0.28 -0.06 -3.56 1.98 -1.26 -5.10 118.68 104.37 1q2i s LEU 3 Ca 0.62 0.43 -0.05 0.00 -2.89 0.00 0.00 54.13 52.25 1q2i s LEU 3 Cb -0.16 1.39 0.02 0.00 0.66 0.00 0.00 46.19 48.10 1q2i s LEU 3 CO 0.55 -0.07 0.10 -0.24 -1.89 0.00 0.00 176.35 174.80 1q2i n SER 4 N 3.58 -4.45 0.00 3.68 2.88 -1.26 -5.01 113.62 113.04 1q2i n SER 4 Ca -0.16 1.41 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 1q2i n SER 4 Cb 0.56 -4.12 0.00 0.00 -0.75 0.00 0.00 64.21 59.90 1q2i n SER 4 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q2i n GLN 5 N 1.95 0.00 -2.09 -1.46 3.00 -1.26 -4.83 117.38 112.68 1q2i n GLN 5 Ca -0.16 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.56 1q2i n GLN 5 Cb 0.25 0.00 0.02 0.00 0.00 0.00 0.00 30.24 30.51 1q2i n GLN 5 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1q2i n GLU 6 N -0.13 3.45 0.00 -1.09 -0.58 -1.26 -4.60 120.64 116.44 1q2i n GLU 6 Ca 0.00 -4.17 0.00 0.00 -0.42 0.00 0.00 57.16 52.57 1q2i n GLU 6 Cb 0.00 -2.27 0.00 0.00 -0.57 0.00 0.00 31.44 28.60 1q2i n GLU 6 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1q2i n THR 7 N -0.65 0.00 0.23 2.62 -1.04 -1.26 -4.92 114.28 109.26 1q2i n THR 7 Ca 0.45 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.51 1q2i n THR 7 Cb 0.82 0.00 0.29 0.00 -1.82 0.00 0.00 70.33 69.62 1q2i n THR 7 CO 0.00 0.00 0.00 2.19 -0.64 0.00 0.00 175.07 176.62 1q2i h PHE 8 N 0.00 0.00 0.05 -1.42 -5.15 -1.95 1.83 116.94 110.30 1q2i h PHE 8 Ca 0.00 0.00 -0.24 0.00 -0.20 0.00 0.00 57.97 57.53 1q2i h PHE 8 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.17 1q2i h PHE 8 CO 0.00 0.00 -1.05 0.66 -2.00 0.00 0.00 178.31 175.92 1q2i h SER 9 N 0.00 0.35 -0.37 -0.68 4.64 -1.88 -3.16 113.55 112.45 1q2i h SER 9 Ca 0.00 -0.33 0.11 0.00 -0.47 0.00 0.00 61.79 61.10 1q2i h SER 9 Cb 1.11 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 1q2i h SER 9 CO 0.00 1.19 0.28 0.44 -0.87 0.00 0.00 176.83 177.87 1q2i h ASP 10 N 0.11 0.00 0.00 4.97 3.32 0.26 -3.34 116.42 121.73 1q2i h ASP 10 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1q2i h ASP 10 Cb 1.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.29 1q2i h ASP 10 CO 0.17 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.69 1q2i n LEU 11 N -4.36 0.00 0.00 1.55 -0.00 -1.19 -4.14 117.00 108.86 1q2i n LEU 11 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 1q2i n LEU 11 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 1q2i n LEU 11 CO 0.35 0.00 0.00 0.79 -0.00 0.00 0.00 177.39 178.53 1q2i n TRP 12 N 0.00 0.00 0.00 1.47 5.03 -1.24 -1.21 117.44 121.49 1q2i n TRP 12 Ca 0.00 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.53 1q2i n TRP 12 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.28 1q2i n TRP 12 CO 0.00 0.00 0.00 1.17 -0.03 0.00 0.00 177.69 178.83 1q2i n LYS 13 N 0.00 0.00 0.00 -0.99 4.81 -1.25 0.10 118.16 120.83 1q2i n LYS 13 Ca 0.00 0.20 -0.20 0.00 -0.87 0.00 0.00 58.31 57.44 1q2i n LYS 13 Cb 0.00 -1.68 -0.14 0.00 0.02 0.00 0.00 35.03 33.23 1q2i n LYS 13 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1q2i n LEU 14 N -1.14 2.45 0.01 3.14 -0.00 -0.35 -3.93 117.00 117.19 1q2i n LEU 14 Ca 0.00 0.23 0.14 0.00 -0.00 0.00 0.00 56.01 56.38 1q2i n LEU 14 Cb 0.18 -0.98 0.58 0.00 -0.00 0.00 0.00 43.42 43.20 1q2i n LEU 14 CO 0.00 0.81 0.94 -0.11 -0.00 0.00 0.00 177.39 179.03 1q2i n LEU 15 N -3.43 0.10 -0.31 1.47 7.94 0.29 -3.89 117.00 119.16 1q2i n LEU 15 Ca -0.30 0.51 0.03 0.00 -1.11 0.00 0.00 56.01 55.14 1q2i n LEU 15 Cb 1.05 -0.48 0.10 0.00 0.53 0.00 0.00 43.42 44.62 1q2i n LEU 15 CO 0.43 -0.04 0.67 0.50 -1.11 0.00 0.00 177.39 177.85 1q2i h LYS 16 N 0.00 -0.01 -0.58 1.96 3.11 -1.47 5.83 116.57 125.40 1q2i h LYS 16 Ca 0.00 0.00 0.17 0.00 -2.81 0.00 0.00 60.65 58.01 1q2i h LYS 16 Cb 0.52 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.72 1q2i h LYS 16 CO 0.00 -0.01 0.48 -0.22 -2.81 0.00 0.00 179.45 176.90 1q2i h LYS 17 N -0.01 0.00 0.00 1.90 1.63 -1.84 0.68 116.57 118.94 1q2i h LYS 17 Ca 0.41 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.21 1q2i h LYS 17 Cb 0.64 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 1q2i h LYS 17 CO -0.91 0.00 -0.76 -2.67 -3.45 0.00 0.00 179.45 171.66 1q2i n TRP 18 N -4.08 0.00 1.19 1.91 2.14 0.78 -4.36 117.44 115.02 1q2i n TRP 18 Ca 0.11 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.81 1q2i n TRP 18 Cb 0.71 -0.06 0.27 0.00 -0.81 0.00 0.00 31.31 31.42 1q2i n TRP 18 CO 0.00 0.00 0.00 1.17 2.07 0.00 0.00 177.69 180.93 1q2i n LYS 19 N -1.41 1.11 -4.09 -2.67 4.81 1.72 -4.71 118.16 112.92 1q2i n LYS 19 Ca 0.01 -0.76 -0.30 0.00 -0.87 0.00 0.00 58.31 56.38 1q2i n LYS 19 Cb 0.20 -1.48 -0.07 0.00 0.02 0.00 0.00 35.03 33.69 1q2i n LYS 19 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1q2i s MET 20 N -2.41 2.75 -1.92 1.64 -1.94 0.21 -4.39 119.30 113.24 1q2i s MET 20 Ca 0.24 -0.74 0.00 0.00 -1.71 0.00 0.00 55.69 53.48 1q2i s MET 20 Cb 0.19 -2.66 0.00 0.00 2.01 0.00 0.00 34.83 34.38 1q2i s MET 20 CO 0.50 0.56 0.00 -2.13 -0.01 0.00 0.00 175.02 173.94 1q2i n ARG 21 N 0.55 -1.41 -2.62 2.03 0.63 -1.26 -4.89 116.66 109.69 1q2i n ARG 21 Ca -0.10 1.10 -0.42 0.00 -0.92 0.00 0.00 57.85 57.51 1q2i n ARG 21 Cb 0.52 -5.50 0.01 0.00 0.45 0.00 0.00 32.46 27.93 1q2i n ARG 21 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1q2i n ARG 22 N -2.58 4.35 0.00 -0.14 -4.01 -1.26 -3.54 116.66 109.48 1q2i n ARG 22 Ca -0.21 -4.11 0.00 0.00 -1.04 0.00 0.00 57.85 52.49 1q2i n ARG 22 Cb 0.65 -2.65 0.00 0.00 -3.04 0.00 0.00 32.46 27.41 1q2i n ARG 22 CO 0.00 0.00 0.00 -1.71 -3.04 0.00 0.00 177.63 172.88 1q2i n ASN 23 N 2.01 0.00 0.00 2.89 4.05 -1.26 -5.02 115.26 117.92 1q2i n ASN 23 Ca 0.37 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.40 1q2i n ASN 23 Cb 0.32 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.33 1q2i n ASN 23 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1q2i n GLN 24 N 0.00 0.00 0.05 1.20 1.13 -1.26 -4.56 117.38 113.93 1q2i n GLN 24 Ca 0.00 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.94 1q2i n GLN 24 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.35 1q2i n GLN 24 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 1q2i h PHE 25 N 0.00 0.63 -0.57 1.08 -1.00 -1.97 -3.04 116.94 112.07 1q2i h PHE 25 Ca 0.00 -0.29 0.17 0.00 2.81 0.00 0.00 57.97 60.65 1q2i h PHE 25 Cb 0.00 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.45 1q2i h PHE 25 CO 0.00 1.08 0.81 -1.49 -1.61 0.00 0.00 178.31 177.10 1q2i h TRP 26 N 0.30 0.00 0.00 -0.55 6.55 -1.88 2.04 115.95 122.41 1q2i h TRP 26 Ca -0.05 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.79 1q2i h TRP 26 Cb 1.39 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.69 1q2i h TRP 26 CO 0.05 0.00 0.00 0.28 -1.05 0.00 0.00 178.44 177.72 1q2i n VAL 27 N -3.28 0.00 -2.47 1.49 0.31 -1.15 -3.42 118.33 109.80 1q2i n VAL 27 Ca 0.12 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.44 1q2i n VAL 27 Cb 1.00 -0.12 0.05 0.00 -0.91 0.00 0.00 33.84 33.86 1q2i n VAL 27 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1q2i n LYS 28 N -0.40 0.57 -0.66 5.55 5.02 0.69 -4.97 118.16 123.94 1q2i n LYS 28 Ca 0.00 -0.56 0.01 0.00 -2.02 0.00 0.00 58.31 55.73 1q2i n LYS 28 Cb 0.04 0.24 0.20 0.00 -0.02 0.00 0.00 35.03 35.50 1q2i n LYS 28 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1q2i n VAL 29 N -0.65 2.39 0.06 -0.18 0.31 -0.86 -4.80 118.33 114.61 1q2i n VAL 29 Ca -0.09 -2.75 0.00 0.00 -0.01 0.00 0.00 64.34 61.49 1q2i n VAL 29 Cb 0.65 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 1q2i n VAL 29 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1q2i n GLN 30 N -1.09 0.00 -2.78 5.55 -0.06 -1.26 -5.03 117.38 112.71 1q2i n GLN 30 Ca 0.27 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 55.26 1q2i n GLN 30 Cb 0.91 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 27.09 1q2i n GLN 30 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1q2i n ARG 31 N -2.77 -3.13 0.00 3.69 5.12 -1.26 -5.25 116.66 113.06 1q2i n ARG 31 Ca 0.00 2.56 0.00 0.00 -1.93 0.00 0.00 57.85 58.48 1q2i n ARG 31 Cb 0.00 -5.05 0.00 0.00 -1.16 0.00 0.00 32.46 26.25 1q2i n ARG 31 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11