#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q2i n PRO 2 N 0.00 0.28 -3.63 0.54 -0.04 -1.26 -5.11 135.00 125.78 1q2i n PRO 2 Ca 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.47 1q2i n PRO 2 Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 1q2i n PRO 2 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1q2i s LEU 3 N 0.00 -0.23 0.03 1.53 2.96 -1.26 -5.12 118.68 116.60 1q2i s LEU 3 Ca 0.00 0.36 0.00 0.00 -0.22 0.00 0.00 54.13 54.27 1q2i s LEU 3 Cb 0.00 1.33 0.00 0.00 0.50 0.00 0.00 46.19 48.02 1q2i s LEU 3 CO 0.00 -0.06 0.00 -0.24 -1.32 0.00 0.00 176.35 174.73 1q2i n SER 4 N 3.37 -5.90 0.00 3.68 2.88 -1.26 -4.99 113.62 111.39 1q2i n SER 4 Ca -0.17 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.29 1q2i n SER 4 Cb 0.57 -3.19 0.00 0.00 -0.75 0.00 0.00 64.21 60.84 1q2i n SER 4 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1q2i n GLN 5 N 0.96 0.00 -2.28 -1.46 7.27 -1.26 -4.83 117.38 115.78 1q2i n GLN 5 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 57.00 56.87 1q2i n GLN 5 Cb 0.00 0.00 0.02 0.00 2.41 0.00 0.00 30.24 32.67 1q2i n GLN 5 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1q2i n GLU 6 N -0.48 3.15 0.00 3.69 1.02 -1.26 -4.69 120.64 122.07 1q2i n GLU 6 Ca 0.00 -4.10 0.00 0.00 -0.02 0.00 0.00 57.16 53.04 1q2i n GLU 6 Cb 0.00 -2.11 0.00 0.00 -0.02 0.00 0.00 31.44 29.31 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 -0.60 0.00 0.21 2.62 -1.04 -1.26 -4.92 114.28 109.29 1q2i n THR 7 Ca 0.35 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.42 1q2i n THR 7 Cb 0.87 0.00 0.30 0.00 -1.82 0.00 0.00 70.33 69.68 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 1.79 116.94 110.25 1q2i h PHE 8 Ca 0.00 0.00 -0.23 0.00 -0.20 0.00 0.00 57.97 57.54 1q2i h PHE 8 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.16 1q2i h PHE 8 CO 0.00 0.00 -1.06 1.03 -2.00 0.00 0.00 178.31 176.28 1q2i h SER 9 N 0.00 0.20 -0.20 -0.68 0.87 -1.88 -3.18 113.55 108.68 1q2i h SER 9 Ca 0.00 -0.20 0.06 0.00 -1.23 0.00 0.00 61.79 60.41 1q2i h SER 9 Cb 1.00 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.89 1q2i h SER 9 CO 0.00 1.13 0.16 0.44 -0.53 0.00 0.00 176.83 178.03 1q2i h ASP 10 N 0.05 0.00 0.00 6.23 3.32 0.24 -3.35 116.42 122.91 1q2i h ASP 10 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1q2i h ASP 10 Cb 1.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.33 1q2i h ASP 10 CO 0.16 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.68 1q2i n LEU 11 N -4.22 0.00 0.00 1.55 -0.00 -1.20 -4.17 117.00 108.96 1q2i n LEU 11 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 1q2i n LEU 11 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.72 1q2i n LEU 11 CO 0.32 0.00 0.00 0.79 -0.00 0.00 0.00 177.39 178.50 1q2i n TRP 12 N 0.00 0.00 0.00 1.47 5.03 -1.24 -1.17 117.44 121.52 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 0.01 -0.99 4.81 -1.25 0.10 118.16 120.84 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 -1.67 -0.14 0.00 0.02 0.00 0.00 35.03 33.24 1q2i n LYS 13 CO 0.00 0.00 0.00 1.37 1.17 0.00 0.00 177.40 179.94 1q2i h LEU 14 N 0.00 0.38 -0.04 3.14 -0.00 -1.44 -3.33 115.31 114.01 1q2i h LEU 14 Ca 0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 57.88 57.04 1q2i h LEU 14 Cb 0.35 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 1q2i h LEU 14 CO 0.00 1.75 0.00 -0.11 -0.00 0.00 0.00 178.44 180.08 1q2i n LEU 15 N -3.44 0.30 -0.32 0.17 7.94 0.29 -3.86 117.00 118.09 1q2i n LEU 15 Ca -0.29 0.54 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 1q2i n LEU 15 Cb 1.05 -0.45 0.06 0.00 0.53 0.00 0.00 43.42 44.62 1q2i n LEU 15 CO 0.44 -0.12 0.63 0.50 -1.11 0.00 0.00 177.39 177.73 1q2i h LYS 16 N 0.00 -0.03 -0.85 1.96 3.11 -1.50 4.88 116.57 124.14 1q2i h LYS 16 Ca 0.00 0.00 0.25 0.00 -2.81 0.00 0.00 60.65 58.09 1q2i h LYS 16 Cb 0.54 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.75 1q2i h LYS 16 CO 0.00 -0.02 0.67 -0.22 -2.81 0.00 0.00 179.45 177.07 1q2i h LYS 17 N -0.04 0.00 0.00 1.90 1.63 -1.83 0.51 116.57 118.74 1q2i h LYS 17 Ca 0.35 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.15 1q2i h LYS 17 Cb 0.61 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 1q2i h LYS 17 CO -0.89 0.00 -0.70 -2.67 -3.45 0.00 0.00 179.45 171.73 1q2i n TRP 18 N -4.06 0.00 1.17 1.91 2.14 0.72 -4.35 117.44 114.97 1q2i n TRP 18 Ca 0.18 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.87 1q2i n TRP 18 Cb 0.97 -0.05 0.35 0.00 -0.81 0.00 0.00 31.31 31.77 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 -1.38 0.55 -4.28 -2.67 0.00 1.44 -4.57 118.16 107.25 1q2i n LYS 19 Ca 0.01 -0.31 -0.30 0.00 0.00 0.00 0.00 58.31 57.71 1q2i n LYS 19 Cb 0.20 -1.49 -0.10 0.00 0.00 0.00 0.00 35.03 33.63 1q2i n LYS 19 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1q2i s MET 20 N -2.67 2.04 0.00 1.64 -1.94 0.12 -4.48 119.30 114.01 1q2i s MET 20 Ca 0.20 -1.06 0.00 0.00 -1.71 0.00 0.00 55.69 53.12 1q2i s MET 20 Cb 0.19 -2.25 0.00 0.00 2.01 0.00 0.00 34.83 34.78 1q2i s MET 20 CO 0.58 0.50 0.00 -2.13 -0.01 0.00 0.00 175.02 173.96 1q2i n ARG 21 N 0.80 -0.47 -1.69 2.03 0.63 -1.26 -4.87 116.66 111.83 1q2i n ARG 21 Ca -0.14 0.12 -0.41 0.00 -0.92 0.00 0.00 57.85 56.50 1q2i n ARG 21 Cb 0.52 -3.86 -0.01 0.00 0.45 0.00 0.00 32.46 29.56 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 -1.46 3.37 0.00 -0.14 0.00 -1.26 -4.02 116.66 113.15 1q2i n ARG 22 Ca 0.00 -2.66 0.00 0.00 -0.00 0.00 0.00 57.85 55.19 1q2i n ARG 22 Cb 0.12 -3.03 0.00 0.00 -0.00 0.00 0.00 32.46 29.55 1q2i n ARG 22 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1q2i n ASN 23 N 4.63 0.00 0.00 2.89 4.05 -1.26 -5.10 115.26 120.47 1q2i n ASN 23 Ca 0.60 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.63 1q2i n ASN 23 Cb 0.32 -0.10 0.00 0.00 1.23 0.00 0.00 39.78 41.23 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 -1.96 0.00 0.16 1.20 6.02 -1.26 -4.96 117.38 116.58 1q2i n GLN 24 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.06 1q2i n GLN 24 Cb 0.00 0.00 0.07 0.00 1.02 0.00 0.00 30.24 31.33 1q2i n GLN 24 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1q2i h PHE 25 N 0.00 0.00 -0.04 1.08 -0.00 -1.98 -3.24 116.94 112.77 1q2i h PHE 25 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.97 57.98 1q2i h PHE 25 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 35.95 1q2i h PHE 25 CO 0.00 0.27 0.42 -1.49 -0.00 0.00 0.00 178.31 177.51 1q2i h TRP 26 N 0.00 0.00 0.00 6.09 6.55 -1.93 0.94 115.95 127.60 1q2i h TRP 26 Ca -0.02 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.82 1q2i h TRP 26 Cb 1.22 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.52 1q2i h TRP 26 CO 0.00 0.00 0.00 0.28 -1.05 0.00 0.00 178.44 177.67 1q2i n VAL 27 N -2.91 0.00 -2.71 1.49 0.31 -1.22 -3.14 118.33 110.15 1q2i n VAL 27 Ca -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.31 1q2i n VAL 27 Cb 0.47 -0.13 0.10 0.00 -0.91 0.00 0.00 33.84 33.37 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 -0.56 1.45 -0.73 5.55 5.02 0.32 -4.91 118.16 124.30 1q2i n LYS 28 Ca 0.03 -1.97 -0.01 0.00 -2.02 0.00 0.00 58.31 54.33 1q2i n LYS 28 Cb 0.01 -0.24 0.20 0.00 -0.02 0.00 0.00 35.03 34.99 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 -1.19 2.47 -1.51 -0.18 0.31 -1.19 -5.05 118.33 111.99 1q2i n VAL 29 Ca -0.10 -2.71 -0.50 0.00 -0.01 0.00 0.00 64.34 61.03 1q2i n VAL 29 Cb 0.85 -0.30 -0.04 0.00 -0.91 0.00 0.00 33.84 33.44 1q2i n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1q2i n GLN 30 N -1.08 0.60 -2.50 5.55 10.64 -1.26 -4.88 117.38 124.45 1q2i n GLN 30 Ca 0.30 0.21 -0.04 0.00 -1.83 0.00 0.00 57.00 55.64 1q2i n GLN 30 Cb 0.97 -1.54 0.06 0.00 -0.86 0.00 0.00 30.24 28.88 1q2i n GLN 30 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 1q2i n ARG 31 N 1.34 0.74 -0.78 2.61 1.85 -1.26 -5.24 116.66 115.91 1q2i n ARG 31 Ca 0.16 -1.06 0.00 0.00 -1.00 0.00 0.00 57.85 55.95 1q2i n ARG 31 Cb 0.22 0.08 0.00 0.00 -1.05 0.00 0.00 32.46 31.71 1q2i n ARG 31 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03