#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 1.87 -3.04 0.54 -0.04 -1.26 -4.66 135.00 128.41 1q2i n PRO 2 Ca 0.00 -1.18 -0.00 0.00 -0.04 0.00 0.00 63.50 62.28 1q2i n PRO 2 Cb 0.00 -2.22 -0.00 0.00 -0.04 0.00 0.00 33.50 31.23 1q2i n PRO 2 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1q2i n LEU 3 N 3.56 -4.88 -3.15 1.53 4.77 -1.26 -5.01 117.00 112.55 1q2i n LEU 3 Ca 0.40 0.81 0.05 0.00 -0.03 0.00 0.00 56.01 57.24 1q2i n LEU 3 Cb 0.31 -2.07 -0.01 0.00 -2.33 0.00 0.00 43.42 39.32 1q2i n LEU 3 CO 0.50 -2.15 0.37 -0.55 -1.33 0.00 0.00 177.39 174.24 1q2i s SER 4 N -1.01 -0.93 0.00 -1.43 0.15 -1.26 -4.40 113.70 104.82 1q2i s SER 4 Ca -0.01 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1q2i s SER 4 Cb 0.00 1.76 0.00 0.00 -1.71 0.00 0.00 66.02 66.07 1q2i s SER 4 CO 0.22 -0.17 0.00 0.00 1.20 0.00 0.00 173.24 174.49 1q2i n GLN 5 N 5.43 0.00 -2.19 5.44 1.13 -1.26 -4.83 117.38 121.10 1q2i n GLN 5 Ca -0.03 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.78 1q2i n GLN 5 Cb 0.53 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.89 1q2i n GLN 5 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1q2i n GLU 6 N -0.10 3.54 0.00 -1.09 0.28 -1.26 -4.61 120.64 117.40 1q2i n GLU 6 Ca 0.00 -4.30 0.00 0.00 -0.16 0.00 0.00 57.16 52.70 1q2i n GLU 6 Cb 0.00 -2.27 0.00 0.00 1.43 0.00 0.00 31.44 30.60 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 -0.62 0.00 0.29 3.84 -1.04 -1.26 -4.92 114.28 110.57 1q2i n THR 7 Ca 0.42 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.53 1q2i n THR 7 Cb 0.85 0.00 0.53 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 -1.91 1.45 116.94 109.90 1q2i h PHE 8 Ca 0.00 0.00 -0.16 0.00 -0.20 0.00 0.00 57.97 57.61 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 -0.75 0.66 -2.00 0.00 0.00 178.31 176.22 1q2i h SER 9 N 0.00 0.00 0.02 -0.68 4.64 -1.82 -3.06 113.55 112.65 1q2i h SER 9 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1q2i h SER 9 Cb 0.93 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1q2i h SER 9 CO 0.00 0.75 -0.01 -0.78 -0.87 0.00 0.00 176.83 175.93 1q2i h ASP 10 N 0.00 0.00 0.00 4.97 3.58 0.17 -3.35 116.42 121.79 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 1.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.48 1q2i h ASP 10 CO 0.10 0.01 0.00 0.00 -2.88 0.00 0.00 179.24 176.47 1q2i n LEU 11 N -3.90 0.00 0.00 2.28 -0.00 -1.16 -4.27 117.00 109.96 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 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.51 1q2i n LEU 11 CO 0.28 0.00 0.00 0.79 -0.00 0.00 0.00 177.39 178.46 1q2i n TRP 12 N 0.00 0.00 0.00 1.47 5.03 -1.24 -1.12 117.44 121.58 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 0.04 -0.99 4.81 -1.26 0.73 118.16 121.50 1q2i n LYS 13 Ca 0.00 0.25 -0.22 0.00 -0.87 0.00 0.00 58.31 57.47 1q2i n LYS 13 Cb 0.00 -1.70 -0.14 0.00 0.02 0.00 0.00 35.03 33.20 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 0.53 -1.99 3.14 -0.00 -1.42 -3.32 115.31 112.25 1q2i h LEU 14 Ca 0.00 -0.92 0.16 0.00 -0.00 0.00 0.00 57.88 57.12 1q2i h LEU 14 Cb 0.41 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.88 1q2i h LEU 14 CO 0.00 1.76 0.47 -0.07 -0.00 0.00 0.00 178.44 180.60 1q2i h LEU 15 N -0.01 0.00 -0.14 0.17 -0.00 0.03 -1.58 115.31 113.79 1q2i h LEU 15 Ca -0.35 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.58 1q2i h LEU 15 Cb 2.00 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 42.60 1q2i h LEU 15 CO 0.13 0.00 -0.38 0.50 -0.00 0.00 0.00 178.44 178.69 1q2i h LYS 16 N 0.00 -0.44 -0.76 1.13 3.11 -1.65 8.81 116.57 126.77 1q2i h LYS 16 Ca 0.26 0.03 0.22 0.00 -2.81 0.00 0.00 60.65 58.35 1q2i h LYS 16 Cb 1.20 0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 32.50 1q2i h LYS 16 CO -0.00 -0.29 1.01 -0.22 -2.81 0.00 0.00 179.45 177.14 1q2i h LYS 17 N -0.45 0.00 0.00 1.90 1.63 -1.50 2.49 116.57 120.64 1q2i h LYS 17 Ca 0.09 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1q2i h LYS 17 Cb 0.60 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 1q2i h LYS 17 CO -0.39 0.00 -0.13 -2.67 -3.45 0.00 0.00 179.45 172.81 1q2i n TRP 18 N -3.24 0.00 0.83 1.91 2.14 0.14 -4.60 117.44 114.62 1q2i n TRP 18 Ca 0.17 0.00 0.10 0.00 2.07 0.00 0.00 57.50 59.84 1q2i n TRP 18 Cb 1.25 0.00 0.08 0.00 -0.81 0.00 0.00 31.31 31.83 1q2i n TRP 18 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 1q2i n LYS 19 N -0.97 1.75 -0.50 -2.67 5.02 2.77 -5.03 118.16 118.53 1q2i n LYS 19 Ca 0.00 -1.64 -0.17 0.00 -2.02 0.00 0.00 58.31 54.48 1q2i n LYS 19 Cb 0.00 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 33.62 1q2i n LYS 19 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1q2i n MET 20 N 1.05 0.00 -1.00 1.97 2.81 0.76 -0.72 117.12 121.99 1q2i n MET 20 Ca 0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 1q2i n MET 20 Cb 0.49 -0.36 0.00 0.00 -0.71 0.00 0.00 33.22 32.64 1q2i n MET 20 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1q2i n ARG 21 N 0.40 -0.00 -2.83 0.03 0.63 -1.26 -4.94 116.66 108.68 1q2i n ARG 21 Ca 0.06 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.58 1q2i n ARG 21 Cb 0.11 -2.89 0.01 0.00 0.45 0.00 0.00 32.46 30.13 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 -2.78 4.91 0.00 -0.14 3.00 0.10 -4.08 116.66 117.67 1q2i n ARG 22 Ca 0.00 -4.62 0.00 0.00 -0.01 0.00 0.00 57.85 53.22 1q2i n ARG 22 Cb 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 32.46 29.98 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 0.59 0.00 0.00 0.55 2.85 -1.26 -5.04 115.26 112.95 1q2i n ASN 23 Ca 0.37 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.84 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 1.67 -2.11 0.00 0.00 177.26 176.82 1q2i n GLN 24 N 0.00 0.00 -0.10 1.20 7.27 -1.26 -4.90 117.38 119.58 1q2i n GLN 24 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.94 1q2i n GLN 24 Cb 0.00 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 32.52 1q2i n GLN 24 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1q2i n PHE 25 N -2.34 0.00 -1.27 3.69 -0.00 -1.26 -4.38 117.46 111.89 1q2i n PHE 25 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.45 57.19 1q2i n PHE 25 Cb 0.00 -0.91 0.15 0.00 -0.00 0.00 0.00 39.48 38.72 1q2i n PHE 25 CO 0.00 0.00 0.00 -2.67 -0.00 0.00 0.00 176.76 174.09 1q2i n TRP 26 N -2.94 3.05 0.00 -5.13 2.14 -1.26 -4.64 117.44 108.66 1q2i n TRP 26 Ca -0.36 -2.15 0.00 0.00 2.07 0.00 0.00 57.50 57.06 1q2i n TRP 26 Cb 1.03 -1.06 0.00 0.00 -0.81 0.00 0.00 31.31 30.47 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 -1.09 0.00 -0.90 -1.67 0.24 -1.26 -4.68 118.33 108.98 1q2i n VAL 27 Ca 0.60 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.79 1q2i n VAL 27 Cb 1.40 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.70 1q2i n VAL 27 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1q2i n LYS 28 N 0.00 1.71 -0.63 7.34 5.02 -1.26 -4.42 118.16 125.91 1q2i n LYS 28 Ca 0.00 -0.97 -0.10 0.00 -2.02 0.00 0.00 58.31 55.22 1q2i n LYS 28 Cb 0.00 -1.64 0.11 0.00 -0.02 0.00 0.00 35.03 33.49 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 1.59 2.08 -1.07 -0.18 0.31 -1.26 -4.88 118.33 114.91 1q2i n VAL 29 Ca 0.28 -0.98 0.00 0.00 -0.01 0.00 0.00 64.34 63.63 1q2i n VAL 29 Cb 0.67 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 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 -0.27 0.00 -0.08 5.55 7.27 -1.26 -5.03 117.38 123.56 1q2i n GLN 30 Ca 0.29 0.36 -0.07 0.00 0.07 0.00 0.00 57.00 57.65 1q2i n GLN 30 Cb 1.07 -0.72 -0.13 0.00 2.41 0.00 0.00 30.24 32.88 1q2i n GLN 30 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 1q2i n ARG 31 N 0.28 1.25 0.00 3.69 -4.01 -1.26 -5.10 116.66 111.52 1q2i n ARG 31 Ca 0.00 -0.02 0.00 0.00 -1.04 0.00 0.00 57.85 56.79 1q2i n ARG 31 Cb 0.00 -1.42 0.00 0.00 -3.04 0.00 0.00 32.46 28.00 1q2i n ARG 31 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00