#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 0.39 -3.51 0.54 -0.04 -1.26 -5.09 135.00 126.03 1q2i n PRO 2 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1q2i n PRO 2 Cb 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 1q2i n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1q2i s LEU 3 N 0.00 -0.61 0.03 1.53 1.43 -1.26 -5.06 118.68 114.74 1q2i s LEU 3 Ca 0.00 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 1q2i s LEU 3 Cb 0.00 1.19 0.00 0.00 0.03 0.00 0.00 46.19 47.41 1q2i s LEU 3 CO 0.00 -0.27 0.00 -0.24 0.23 0.00 0.00 176.35 176.07 1q2i n SER 4 N 5.38 -8.89 0.00 2.29 2.88 -1.26 -5.00 113.62 109.01 1q2i n SER 4 Ca -0.06 1.67 0.00 0.00 -1.33 0.00 0.00 58.87 59.15 1q2i n SER 4 Cb 0.50 -4.84 0.00 0.00 -0.75 0.00 0.00 64.21 59.12 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 1.67 0.00 -2.35 -1.46 7.27 -1.26 -4.84 117.38 116.41 1q2i n GLN 5 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 56.90 1q2i n GLN 5 Cb 0.00 0.00 0.03 0.00 2.41 0.00 0.00 30.24 32.68 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 -0.47 2.92 0.00 3.69 0.28 -1.26 -4.70 120.64 121.10 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 -0.59 0.00 0.31 3.84 -1.04 -1.26 -4.92 114.28 110.61 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 0.58 0.00 -1.82 0.00 0.00 70.33 69.96 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 1.55 116.94 109.97 1q2i h PHE 8 Ca 0.00 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.65 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 -0.56 1.03 -2.00 0.00 0.00 178.31 176.78 1q2i h SER 9 N 0.00 0.00 0.18 -0.68 0.87 -1.88 -3.09 113.55 108.95 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 0.91 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1q2i h SER 9 CO 0.00 0.56 -0.06 -0.78 -0.53 0.00 0.00 176.83 176.02 1q2i h ASP 10 N 0.00 0.00 0.00 6.23 3.58 0.19 -3.36 116.42 123.06 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 1.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.38 1q2i h ASP 10 CO 0.07 0.06 0.00 0.00 -2.88 0.00 0.00 179.24 176.50 1q2i n LEU 11 N -3.77 0.00 0.00 2.28 -0.00 -1.17 -4.26 117.00 110.08 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 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 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 -1.25 -1.54 117.44 121.15 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 -0.08 -0.99 4.81 -1.26 0.89 118.16 121.54 1q2i n LYS 13 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 1q2i n LYS 13 Cb 0.00 -1.29 -0.13 0.00 0.02 0.00 0.00 35.03 33.63 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 -0.66 0.00 -0.09 3.14 -0.00 -0.59 -4.42 117.00 114.38 1q2i n LEU 14 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 56.01 56.10 1q2i n LEU 14 Cb 0.00 0.39 -0.09 0.00 -0.00 0.00 0.00 43.42 43.72 1q2i n LEU 14 CO 0.00 0.39 0.02 0.18 -0.00 0.00 0.00 177.39 177.98 1q2i n LEU 15 N -2.60 1.11 0.00 1.47 4.77 0.26 -4.71 117.00 117.30 1q2i n LEU 15 Ca -0.26 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 1q2i n LEU 15 Cb 1.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 1q2i n LEU 15 CO 0.35 0.26 0.12 0.29 -1.33 0.00 0.00 177.39 177.08 1q2i n LYS 16 N -1.20 0.00 -0.55 3.23 4.01 -0.01 1.18 118.16 124.82 1q2i n LYS 16 Ca 0.05 0.24 0.44 0.00 -0.51 0.00 0.00 58.31 58.53 1q2i n LYS 16 Cb 0.33 -0.43 0.75 0.00 -0.51 0.00 0.00 35.03 35.17 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 0.03 0.00 1.97 1.63 -1.89 3.01 116.57 121.33 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 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1q2i h LYS 17 CO 0.00 0.02 -0.88 -2.67 -3.45 0.00 0.00 179.45 172.47 1q2i n TRP 18 N -4.26 0.00 0.93 1.91 2.14 1.87 -4.30 117.44 115.74 1q2i n TRP 18 Ca 0.39 0.00 0.11 0.00 2.07 0.00 0.00 57.50 60.07 1q2i n TRP 18 Cb 1.67 -0.07 0.09 0.00 -0.81 0.00 0.00 31.31 32.19 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 -1.48 2.13 -1.71 -2.67 0.00 9.44 -4.94 118.16 118.92 1q2i n LYS 19 Ca 0.01 -1.85 -0.31 0.00 0.00 0.00 0.00 58.31 56.17 1q2i n LYS 19 Cb 0.25 -1.43 0.05 0.00 0.00 0.00 0.00 35.03 33.90 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 -1.87 2.90 -0.18 1.64 -1.94 0.86 -3.34 119.30 117.36 1q2i s MET 20 Ca 0.26 0.72 0.00 0.00 -1.71 0.00 0.00 55.69 54.97 1q2i s MET 20 Cb 0.19 -2.00 0.00 0.00 2.01 0.00 0.00 34.83 35.02 1q2i s MET 20 CO 0.28 -1.07 0.00 -2.13 -0.01 0.00 0.00 175.02 172.09 1q2i n ARG 21 N -3.07 -1.85 -2.29 2.03 0.63 -1.26 -4.85 116.66 106.00 1q2i n ARG 21 Ca 0.07 0.53 -0.41 0.00 -0.92 0.00 0.00 57.85 57.12 1q2i n ARG 21 Cb 0.55 -4.95 0.00 0.00 0.45 0.00 0.00 32.46 28.51 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 0.52 4.20 0.00 -0.14 5.12 -1.21 -3.84 116.66 121.32 1q2i n ARG 22 Ca -0.02 -3.67 0.00 0.00 -1.93 0.00 0.00 57.85 52.23 1q2i n ARG 22 Cb 0.49 -2.74 0.00 0.00 -1.16 0.00 0.00 32.46 29.05 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 2.53 0.00 0.00 0.55 2.85 -1.25 -5.05 115.26 114.88 1q2i n ASN 23 Ca 0.48 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.95 1q2i n ASN 23 Cb 0.31 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.33 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 -0.45 1.20 6.02 -1.26 -4.85 117.38 118.04 1q2i n GLN 24 Ca 0.00 0.00 0.35 0.00 -0.01 0.00 0.00 57.00 57.34 1q2i n GLN 24 Cb 0.00 0.00 0.56 0.00 1.02 0.00 0.00 30.24 31.82 1q2i n GLN 24 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1q2i n PHE 25 N 0.00 0.22 -2.95 1.08 3.01 -1.26 0.67 117.46 118.23 1q2i n PHE 25 Ca 0.00 0.23 -0.35 0.00 1.01 0.00 0.00 57.45 58.34 1q2i n PHE 25 Cb 0.00 -0.61 -0.02 0.00 -0.01 0.00 0.00 39.48 38.85 1q2i n PHE 25 CO 0.00 0.00 0.00 -2.67 1.01 0.00 0.00 176.76 175.10 1q2i n TRP 26 N -3.73 3.17 0.00 1.38 2.14 -1.26 -4.76 117.44 114.38 1q2i n TRP 26 Ca 0.31 -3.26 0.00 0.00 2.07 0.00 0.00 57.50 56.63 1q2i n TRP 26 Cb 1.34 -0.90 0.00 0.00 -0.81 0.00 0.00 31.31 30.94 1q2i n TRP 26 CO 0.00 0.00 0.00 1.33 2.07 0.00 0.00 177.69 181.09 1q2i n VAL 27 N 0.37 0.00 -0.63 -1.67 0.24 0.21 -3.96 118.33 112.89 1q2i n VAL 27 Ca 0.35 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.59 1q2i n VAL 27 Cb 0.34 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.72 1q2i n VAL 27 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1q2i n LYS 28 N 0.00 1.27 -1.61 7.34 2.85 -1.26 -4.74 118.16 122.01 1q2i n LYS 28 Ca 0.00 -0.53 -0.42 0.00 -1.05 0.00 0.00 58.31 56.30 1q2i n LYS 28 Cb 0.00 -1.21 -0.01 0.00 -0.65 0.00 0.00 35.03 33.16 1q2i n LYS 28 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1q2i n VAL 29 N 1.11 3.10 -3.60 0.58 0.24 -1.26 -4.78 118.33 113.71 1q2i n VAL 29 Ca 0.10 -2.70 -0.05 0.00 -2.04 0.00 0.00 64.34 59.65 1q2i n VAL 29 Cb 0.53 -2.55 -0.03 0.00 -1.47 0.00 0.00 33.84 30.32 1q2i n VAL 29 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1q2i s GLN 30 N 3.60 0.30 -0.58 7.34 0.74 -1.26 -5.09 119.66 124.71 1q2i s GLN 30 Ca 0.49 -0.02 -0.28 0.00 0.05 0.00 0.00 55.36 55.60 1q2i s GLN 30 Cb 0.14 0.14 -0.10 0.00 1.10 0.00 0.00 33.01 34.29 1q2i s GLN 30 CO -0.04 -0.11 2.45 0.54 -0.55 0.00 0.00 175.29 177.57 1q2i n ARG 31 N 0.27 0.87 0.00 1.67 5.12 -1.26 -5.22 116.66 118.11 1q2i n ARG 31 Ca -0.02 0.05 0.14 0.00 -1.93 0.00 0.00 57.85 56.09 1q2i n ARG 31 Cb 0.58 -2.94 0.60 0.00 -1.16 0.00 0.00 32.46 29.54 1q2i n ARG 31 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11