#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 2.66 0.23 0.54 0.04 -1.26 -4.81 135.00 132.40 1q2i s PRO 2 Ca 0.00 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1q2i s PRO 2 Cb 0.00 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1q2i s PRO 2 CO 0.00 -1.32 0.00 1.28 0.04 0.00 0.00 177.00 177.00 1q2i n LEU 3 N -3.19 -4.93 -2.10 -3.56 4.77 -1.26 -4.98 117.00 101.75 1q2i n LEU 3 Ca 0.08 2.20 -0.02 0.00 -0.03 0.00 0.00 56.01 58.25 1q2i n LEU 3 Cb 0.53 -1.96 -0.02 0.00 -2.33 0.00 0.00 43.42 39.64 1q2i n LEU 3 CO 0.54 -0.63 -0.41 -0.24 -1.33 0.00 0.00 177.39 175.32 1q2i n SER 4 N 0.47 -4.52 0.00 -1.43 2.88 -1.26 -5.01 113.62 104.74 1q2i n SER 4 Ca 0.00 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 1q2i n SER 4 Cb 0.00 -4.05 0.00 0.00 -0.75 0.00 0.00 64.21 59.41 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 1.28 0.00 -2.15 -1.46 1.13 -1.26 -4.84 117.38 110.08 1q2i n GLN 5 Ca -0.14 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.66 1q2i n GLN 5 Cb 0.21 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.58 1q2i n GLN 5 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1q2i n GLU 6 N -0.01 3.48 0.00 -1.09 1.02 -1.26 -4.58 120.64 118.19 1q2i n GLU 6 Ca 0.00 -4.23 0.00 0.00 -0.02 0.00 0.00 57.16 52.91 1q2i n GLU 6 Cb 0.00 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.15 1q2i n GLU 6 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1q2i n THR 7 N -0.63 0.00 0.31 2.62 -1.04 -1.26 -4.92 114.28 109.36 1q2i n THR 7 Ca 0.43 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.55 1q2i n THR 7 Cb 0.82 0.00 0.56 0.00 -1.82 0.00 0.00 70.33 69.89 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 0.00 -1.42 -5.15 -1.95 1.59 116.94 110.01 1q2i h PHE 8 Ca 0.00 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 57.64 1q2i h PHE 8 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.15 1q2i h PHE 8 CO 0.00 0.00 -0.62 1.03 -2.00 0.00 0.00 178.31 176.72 1q2i h SER 9 N 0.00 0.00 0.12 -0.68 0.87 -1.88 -3.06 113.55 108.91 1q2i h SER 9 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1q2i h SER 9 Cb 0.97 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1q2i h SER 9 CO 0.00 0.62 -0.04 -0.78 -0.53 0.00 0.00 176.83 176.10 1q2i h ASP 10 N 0.00 0.00 0.00 6.23 3.58 0.20 -3.36 116.42 123.07 1q2i h ASP 10 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1q2i h ASP 10 Cb 1.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.39 1q2i h ASP 10 CO 0.08 0.04 0.00 0.00 -2.88 0.00 0.00 179.24 176.48 1q2i n LEU 11 N -3.83 0.00 0.00 2.28 -0.00 -1.16 -4.27 117.00 110.03 1q2i n LEU 11 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 1q2i n LEU 11 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.56 1q2i n LEU 11 CO 0.29 0.00 0.00 0.79 -0.00 0.00 0.00 177.39 178.47 1q2i n TRP 12 N 0.00 0.00 0.00 1.47 5.03 -1.24 -1.61 117.44 121.08 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 -0.07 -0.99 4.81 -1.26 0.96 118.16 121.61 1q2i n LYS 13 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 1q2i n LYS 13 Cb 0.00 -1.27 -0.13 0.00 0.02 0.00 0.00 35.03 33.65 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 -0.64 0.00 -0.35 3.14 -0.00 -0.63 -4.42 117.00 114.10 1q2i n LEU 14 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 56.01 56.11 1q2i n LEU 14 Cb 0.00 0.37 -0.03 0.00 -0.00 0.00 0.00 43.42 43.77 1q2i n LEU 14 CO 0.00 0.37 0.22 0.18 -0.00 0.00 0.00 177.39 178.16 1q2i n LEU 15 N -2.56 1.66 0.00 1.47 4.77 0.27 -4.71 117.00 117.90 1q2i n LEU 15 Ca -0.25 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 1q2i n LEU 15 Cb 0.99 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.08 1q2i n LEU 15 CO 0.34 0.32 0.18 0.29 -1.33 0.00 0.00 177.39 177.19 1q2i n LYS 16 N -0.35 0.00 -0.56 3.23 4.01 -0.10 1.27 118.16 125.66 1q2i n LYS 16 Ca 0.07 0.36 0.46 0.00 -0.51 0.00 0.00 58.31 58.69 1q2i n LYS 16 Cb 0.39 -0.64 0.76 0.00 -0.51 0.00 0.00 35.03 35.03 1q2i n LYS 16 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1q2i h LYS 17 N 0.00 0.00 0.00 1.97 1.63 -1.89 2.72 116.57 121.00 1q2i h LYS 17 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1q2i h LYS 17 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1q2i h LYS 17 CO 0.00 0.00 -0.62 -2.67 -3.45 0.00 0.00 179.45 172.71 1q2i n TRP 18 N -3.86 0.00 0.51 1.91 2.14 1.38 -4.39 117.44 115.13 1q2i n TRP 18 Ca 0.38 0.00 0.10 0.00 2.07 0.00 0.00 57.50 60.05 1q2i n TRP 18 Cb 1.80 -0.03 0.14 0.00 -0.81 0.00 0.00 31.31 32.41 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 -1.33 2.05 -0.60 -2.67 4.81 10.99 -4.99 118.16 126.42 1q2i n LYS 19 Ca 0.01 -1.91 -0.31 0.00 -0.87 0.00 0.00 58.31 55.23 1q2i n LYS 19 Cb 0.17 -1.41 0.28 0.00 0.02 0.00 0.00 35.03 34.09 1q2i n LYS 19 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1q2i s MET 20 N -1.48 -2.56 -0.57 1.64 0.23 0.71 -3.04 119.30 114.23 1q2i s MET 20 Ca 0.28 -0.00 0.00 0.00 -1.03 0.00 0.00 55.69 54.94 1q2i s MET 20 Cb 0.18 -1.43 0.00 0.00 -1.53 0.00 0.00 34.83 32.05 1q2i s MET 20 CO 0.26 -4.60 0.00 -2.13 -2.03 0.00 0.00 175.02 166.52 1q2i n ARG 21 N -5.41 -1.53 -2.63 3.16 0.63 -1.26 -4.78 116.66 104.84 1q2i n ARG 21 Ca 0.14 0.40 -0.42 0.00 -0.92 0.00 0.00 57.85 57.05 1q2i n ARG 21 Cb 0.60 -4.24 0.01 0.00 0.45 0.00 0.00 32.46 29.28 1q2i n ARG 21 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1q2i n ARG 22 N -0.77 4.72 0.00 -0.14 5.12 -1.17 -4.21 116.66 120.21 1q2i n ARG 22 Ca -0.05 -4.28 0.00 0.00 -1.93 0.00 0.00 57.85 51.58 1q2i n ARG 22 Cb 0.26 -2.57 0.00 0.00 -1.16 0.00 0.00 32.46 28.99 1q2i n ARG 22 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1q2i n ASN 23 N 1.27 0.00 0.00 0.55 2.85 -1.26 -5.11 115.26 113.55 1q2i n ASN 23 Ca 0.41 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.88 1q2i n ASN 23 Cb 0.30 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.32 1q2i n ASN 23 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1q2i n GLN 24 N 0.00 0.00 0.04 1.20 6.02 -1.26 -4.92 117.38 118.46 1q2i n GLN 24 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1q2i n GLN 24 Cb 0.00 0.00 0.27 0.00 1.02 0.00 0.00 30.24 31.53 1q2i n GLN 24 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1q2i n PHE 25 N -0.22 0.38 0.17 1.08 -0.00 -1.26 -3.66 117.46 113.95 1q2i n PHE 25 Ca 0.00 0.11 0.11 0.00 -0.00 0.00 0.00 57.45 57.67 1q2i n PHE 25 Cb 0.00 -0.56 0.58 0.00 -0.00 0.00 0.00 39.48 39.50 1q2i n PHE 25 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.76 177.67 1q2i n TRP 26 N -1.89 0.72 0.00 -5.13 5.03 -1.26 -1.35 117.44 113.56 1q2i n TRP 26 Ca 0.05 0.38 0.00 0.00 3.03 0.00 0.00 57.50 60.95 1q2i n TRP 26 Cb 0.40 -1.09 0.00 0.00 -1.03 0.00 0.00 31.31 29.59 1q2i n TRP 26 CO 0.00 0.00 0.00 1.55 -0.03 0.00 0.00 177.69 179.21 1q2i n VAL 27 N -2.26 1.52 -3.13 -0.99 3.14 -1.24 -2.27 118.33 113.10 1q2i n VAL 27 Ca -0.01 0.38 -0.21 0.00 -2.96 0.00 0.00 64.34 61.53 1q2i n VAL 27 Cb 0.06 -1.38 -0.04 0.00 -1.06 0.00 0.00 33.84 31.42 1q2i n VAL 27 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1q2i n LYS 28 N -1.38 1.66 -0.87 1.45 5.02 -0.45 -4.89 118.16 118.69 1q2i n LYS 28 Ca 0.00 -3.84 -0.13 0.00 -2.02 0.00 0.00 58.31 52.32 1q2i n LYS 28 Cb 0.00 -1.84 0.17 0.00 -0.02 0.00 0.00 35.03 33.33 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 0.23 2.54 -3.72 -0.18 0.31 -0.96 -4.88 118.33 111.66 1q2i n VAL 29 Ca 0.27 -1.36 -0.12 0.00 -0.01 0.00 0.00 64.34 63.12 1q2i n VAL 29 Cb 0.57 -0.55 -0.07 0.00 -0.91 0.00 0.00 33.84 32.88 1q2i n VAL 29 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1q2i s GLN 30 N -2.44 0.88 -0.49 5.55 -0.44 -1.26 -5.09 119.66 116.36 1q2i s GLN 30 Ca 0.42 -0.52 -0.44 0.00 -2.50 0.00 0.00 55.36 52.32 1q2i s GLN 30 Cb 0.35 0.38 -0.19 0.00 -1.64 0.00 0.00 33.01 31.91 1q2i s GLN 30 CO 0.09 -0.30 1.88 -2.13 0.50 0.00 0.00 175.29 175.34 1q2i n ARG 31 N 0.41 0.00 0.00 1.67 0.63 -1.26 -5.19 116.66 112.92 1q2i n ARG 31 Ca -0.18 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 56.88 1q2i n ARG 31 Cb 0.60 -1.47 0.41 0.00 0.45 0.00 0.00 32.46 32.45 1q2i n ARG 31 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53