#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 0.48 -3.65 0.54 -0.04 -1.26 -5.10 135.00 125.97 1q2i n PRO 2 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1q2i n PRO 2 Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 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 -0.82 -0.04 1.53 0.20 -1.26 -5.07 118.68 113.23 1q2i s LEU 3 Ca 0.00 1.38 -0.03 0.00 0.69 0.00 0.00 54.13 56.17 1q2i s LEU 3 Cb 0.00 2.10 0.01 0.00 -0.43 0.00 0.00 46.19 47.87 1q2i s LEU 3 CO 0.00 -0.23 0.06 -0.24 -0.29 0.00 0.00 176.35 175.65 1q2i n SER 4 N 4.66 -5.24 0.00 3.68 2.88 -1.26 -5.00 113.62 113.34 1q2i n SER 4 Ca -0.18 1.48 0.00 0.00 -1.33 0.00 0.00 58.87 58.85 1q2i n SER 4 Cb 0.55 -4.10 0.00 0.00 -0.75 0.00 0.00 64.21 59.91 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 1.93 0.00 -2.35 -1.46 7.27 -1.26 -4.84 117.38 116.67 1q2i n GLN 5 Ca -0.10 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 56.79 1q2i n GLN 5 Cb 0.16 0.00 0.03 0.00 2.41 0.00 0.00 30.24 32.84 1q2i n GLN 5 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 1q2i n GLU 6 N -0.51 2.92 0.00 3.69 0.28 -1.26 -4.70 120.64 121.07 1q2i n GLU 6 Ca 0.00 -3.99 0.00 0.00 -0.16 0.00 0.00 57.16 53.01 1q2i n GLU 6 Cb 0.00 -2.03 0.00 0.00 1.43 0.00 0.00 31.44 30.84 1q2i n GLU 6 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1q2i n THR 7 N -0.60 0.00 0.30 3.84 -1.04 -1.26 -4.92 114.28 110.60 1q2i n THR 7 Ca 0.31 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.43 1q2i n THR 7 Cb 0.87 0.00 0.57 0.00 -1.82 0.00 0.00 70.33 69.95 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 1.65 116.94 110.07 1q2i h PHE 8 Ca 0.00 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.69 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 -0.39 1.03 -2.00 0.00 0.00 178.31 176.95 1q2i h SER 9 N 0.00 0.00 0.41 -0.68 0.87 -1.88 -3.07 113.55 109.19 1q2i h SER 9 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1q2i h SER 9 Cb 0.89 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1q2i h SER 9 CO 0.00 0.39 -0.11 -0.78 -0.53 0.00 0.00 176.83 175.80 1q2i h ASP 10 N 0.00 0.00 0.00 6.23 1.82 0.21 -3.36 116.42 121.32 1q2i h ASP 10 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1q2i h ASP 10 Cb 1.21 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.22 1q2i h ASP 10 CO 0.05 0.11 0.00 0.00 -1.61 0.00 0.00 179.24 177.80 1q2i n LEU 11 N -3.59 0.00 0.00 2.28 -0.00 -1.16 -4.26 117.00 110.27 1q2i n LEU 11 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 1q2i n LEU 11 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 1q2i n LEU 11 CO 0.30 0.00 0.00 0.79 -0.00 0.00 0.00 177.39 178.48 1q2i n TRP 12 N 0.00 0.00 0.01 1.47 5.03 -1.24 -0.70 117.44 122.01 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 0.02 0.00 -1.03 0.00 0.00 31.31 30.30 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 0.01 0.05 -0.99 4.81 -1.26 0.13 118.16 120.91 1q2i n LYS 13 Ca 0.00 0.31 -0.11 0.00 -0.87 0.00 0.00 58.31 57.64 1q2i n LYS 13 Cb 0.00 -1.74 -0.13 0.00 0.02 0.00 0.00 35.03 33.18 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 0.14 -0.54 3.14 -0.00 -1.21 -1.93 115.31 114.91 1q2i h LEU 14 Ca 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 57.88 57.69 1q2i h LEU 14 Cb 0.44 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 1q2i h LEU 14 CO 0.00 1.15 -0.01 0.18 -0.00 0.00 0.00 178.44 179.76 1q2i n LEU 15 N -3.34 0.85 -0.05 0.17 7.99 0.35 -1.78 117.00 121.19 1q2i n LEU 15 Ca -0.08 -0.27 -0.10 0.00 -0.01 0.00 0.00 56.01 55.54 1q2i n LEU 15 Cb 1.00 -0.01 -0.03 0.00 -0.11 0.00 0.00 43.42 44.26 1q2i n LEU 15 CO 0.48 0.14 -0.64 0.29 -1.51 0.00 0.00 177.39 176.16 1q2i n LYS 16 N -0.35 0.34 0.00 3.23 4.76 -1.11 -4.57 118.16 120.46 1q2i n LYS 16 Ca 0.21 0.14 0.13 0.00 -2.87 0.00 0.00 58.31 55.91 1q2i n LYS 16 Cb 0.26 -1.09 0.55 0.00 -1.84 0.00 0.00 35.03 32.91 1q2i n LYS 16 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1q2i n LYS 17 N -3.99 0.01 0.00 1.97 2.85 -0.73 -4.61 118.16 113.66 1q2i n LYS 17 Ca -0.17 0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.15 1q2i n LYS 17 Cb 0.46 -1.51 0.00 0.00 -0.65 0.00 0.00 35.03 33.33 1q2i n LYS 17 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1q2i n TRP 18 N -1.53 0.00 0.79 5.58 8.01 -0.74 0.28 117.44 129.83 1q2i n TRP 18 Ca 0.06 0.00 0.07 0.00 -1.31 0.00 0.00 57.50 56.32 1q2i n TRP 18 Cb 0.31 0.00 0.38 0.00 -2.01 0.00 0.00 31.31 29.99 1q2i n TRP 18 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1q2i n LYS 19 N 0.00 0.37 -4.12 -0.99 4.76 -1.26 -4.14 118.16 112.77 1q2i n LYS 19 Ca 0.00 0.04 -0.11 0.00 -2.87 0.00 0.00 58.31 55.37 1q2i n LYS 19 Cb 0.00 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.59 1q2i n LYS 19 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1q2i s MET 20 N -2.13 0.71 -1.47 1.97 -1.94 0.80 -4.77 119.30 112.46 1q2i s MET 20 Ca 0.18 -1.12 0.00 0.00 -1.71 0.00 0.00 55.69 53.04 1q2i s MET 20 Cb 0.09 -0.20 0.00 0.00 2.01 0.00 0.00 34.83 36.74 1q2i s MET 20 CO 0.17 -0.00 0.00 -2.13 -0.01 0.00 0.00 175.02 173.04 1q2i n ARG 21 N 0.50 -1.47 -2.12 2.03 0.63 -1.26 -4.79 116.66 110.17 1q2i n ARG 21 Ca -0.16 0.88 -0.41 0.00 -0.92 0.00 0.00 57.85 57.24 1q2i n ARG 21 Cb 0.59 -5.15 -0.00 0.00 0.45 0.00 0.00 32.46 28.34 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 -1.62 3.92 0.00 -0.14 -4.01 -1.26 -4.14 116.66 109.41 1q2i n ARG 22 Ca -0.14 -3.38 0.00 0.00 -1.04 0.00 0.00 57.85 53.30 1q2i n ARG 22 Cb 0.52 -2.84 0.00 0.00 -3.04 0.00 0.00 32.46 27.10 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 3.22 0.00 0.00 2.89 2.85 -1.26 -5.10 115.26 117.86 1q2i n ASN 23 Ca 0.50 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.97 1q2i n ASN 23 Cb 0.32 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.34 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 0.07 1.20 1.13 -1.26 -4.92 117.38 113.60 1q2i n GLN 24 Ca 0.00 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.18 1q2i n GLN 24 Cb 0.00 0.00 0.25 0.00 0.11 0.00 0.00 30.24 30.60 1q2i n GLN 24 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1q2i n PHE 25 N -0.20 0.68 0.24 1.08 -0.00 -1.26 -3.58 117.46 114.41 1q2i n PHE 25 Ca 0.00 0.20 0.15 0.00 -0.00 0.00 0.00 57.45 57.80 1q2i n PHE 25 Cb 0.00 -0.75 0.80 0.00 -0.00 0.00 0.00 39.48 39.53 1q2i n PHE 25 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.76 175.27 1q2i h TRP 26 N 0.00 0.00 0.00 -5.13 -0.00 -1.91 -3.30 115.95 105.61 1q2i h TRP 26 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1q2i h TRP 26 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.90 1q2i h TRP 26 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 178.44 179.99 1q2i n VAL 27 N -2.56 0.00 -1.02 1.49 3.14 -1.23 -4.74 118.33 113.40 1q2i n VAL 27 Ca -0.02 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.12 1q2i n VAL 27 Cb 0.10 0.00 0.07 0.00 -1.06 0.00 0.00 33.84 32.94 1q2i n VAL 27 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1q2i n LYS 28 N 0.00 2.16 -1.17 1.45 4.81 -1.26 -4.40 118.16 119.74 1q2i n LYS 28 Ca 0.00 -2.31 -0.19 0.00 -0.87 0.00 0.00 58.31 54.94 1q2i n LYS 28 Cb 0.00 -1.91 0.21 0.00 0.02 0.00 0.00 35.03 33.36 1q2i n LYS 28 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1q2i n VAL 29 N -0.29 3.12 -0.10 3.15 0.31 -1.24 -4.33 118.33 118.95 1q2i n VAL 29 Ca 0.44 -1.83 -0.24 0.00 -0.01 0.00 0.00 64.34 62.71 1q2i n VAL 29 Cb 0.72 -0.45 -0.11 0.00 -0.91 0.00 0.00 33.84 33.09 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 -0.88 0.62 0.00 5.55 7.27 -1.26 -4.95 117.38 123.73 1q2i n GLN 30 Ca 0.55 0.36 0.00 0.00 0.07 0.00 0.00 57.00 57.98 1q2i n GLN 30 Cb 1.60 -1.63 0.00 0.00 2.41 0.00 0.00 30.24 32.62 1q2i n GLN 30 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1q2i n ARG 31 N -4.06 0.00 0.00 3.69 1.74 -1.26 -5.25 116.66 111.52 1q2i n ARG 31 Ca -0.42 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.66 1q2i n ARG 31 Cb 0.85 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.29 1q2i n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52