#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 2.21 -1.20 0.54 -0.04 -1.26 -4.72 135.00 130.53 1q2i n PRO 2 Ca 0.00 -1.64 0.00 0.00 -0.04 0.00 0.00 63.50 61.82 1q2i n PRO 2 Cb 0.00 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 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 4.67 -4.40 -3.15 1.53 7.99 -1.26 -5.07 117.00 117.32 1q2i n LEU 3 Ca 0.49 2.14 0.05 0.00 -0.01 0.00 0.00 56.01 58.68 1q2i n LEU 3 Cb 0.19 -1.73 -0.01 0.00 -0.11 0.00 0.00 43.42 41.76 1q2i n LEU 3 CO 0.78 -0.29 0.29 -0.55 -1.51 0.00 0.00 177.39 176.10 1q2i s SER 4 N -1.89 -1.11 0.00 -1.43 0.15 -1.26 -4.88 113.70 103.27 1q2i s SER 4 Ca 0.00 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1q2i s SER 4 Cb 0.00 1.80 0.00 0.00 -1.71 0.00 0.00 66.02 66.11 1q2i s SER 4 CO 0.00 -0.21 0.00 0.00 1.20 0.00 0.00 173.24 174.23 1q2i n GLN 5 N 5.37 0.00 -2.91 5.44 10.64 -1.26 -4.82 117.38 129.84 1q2i n GLN 5 Ca 0.02 0.00 -0.25 0.00 -1.83 0.00 0.00 57.00 54.94 1q2i n GLN 5 Cb 0.54 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.89 1q2i n GLN 5 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1q2i n GLU 6 N 0.00 2.87 0.00 2.61 -0.58 -1.26 -4.73 120.64 119.55 1q2i n GLU 6 Ca 0.00 -4.55 0.00 0.00 -0.42 0.00 0.00 57.16 52.19 1q2i n GLU 6 Cb 0.00 -2.13 0.00 0.00 -0.57 0.00 0.00 31.44 28.74 1q2i n GLU 6 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1q2i n THR 7 N -0.19 0.00 0.32 2.62 -1.04 -1.26 -4.88 114.28 109.85 1q2i n THR 7 Ca 0.30 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.41 1q2i n THR 7 Cb 0.48 0.00 0.49 0.00 -1.82 0.00 0.00 70.33 69.47 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 -1.93 2.18 116.94 110.62 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 -0.55 1.03 -2.00 0.00 0.00 178.31 176.79 1q2i h SER 9 N 0.00 0.00 0.24 -0.68 0.87 -1.87 -3.02 113.55 109.10 1q2i h SER 9 Ca 0.01 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1q2i h SER 9 Cb 1.24 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1q2i h SER 9 CO -0.00 0.55 -0.08 -0.78 -0.53 0.00 0.00 176.83 175.99 1q2i h ASP 10 N 0.00 0.00 0.00 6.23 3.58 0.33 -3.36 116.42 123.20 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 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 1q2i h ASP 10 CO 0.07 0.08 0.00 0.00 -2.88 0.00 0.00 179.24 176.51 1q2i n LEU 11 N -3.72 0.00 0.00 2.28 -0.00 -1.14 -4.26 117.00 110.16 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 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 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 -0.96 117.44 121.75 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 0.10 118.16 120.89 1q2i n LYS 13 Ca 0.00 0.28 -0.19 0.00 -0.87 0.00 0.00 58.31 57.53 1q2i n LYS 13 Cb 0.00 -1.72 -0.14 0.00 0.02 0.00 0.00 35.03 33.19 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 0.46 -2.06 3.14 -0.00 -1.35 -3.29 115.31 112.21 1q2i h LEU 14 Ca 0.00 -0.66 0.11 0.00 -0.00 0.00 0.00 57.88 57.33 1q2i h LEU 14 Cb 0.44 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 40.93 1q2i h LEU 14 CO 0.00 1.56 0.32 -0.07 -0.00 0.00 0.00 178.44 180.25 1q2i h LEU 15 N 0.08 0.00 -0.16 0.17 -0.00 0.39 -2.06 115.31 113.73 1q2i h LEU 15 Ca -0.28 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.65 1q2i h LEU 15 Cb 2.05 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 42.64 1q2i h LEU 15 CO 0.17 0.00 -0.39 0.50 -0.00 0.00 0.00 178.44 178.71 1q2i h LYS 16 N 0.00 -0.43 -0.19 1.13 3.11 -1.63 19.89 116.57 138.45 1q2i h LYS 16 Ca 0.18 0.03 0.06 0.00 -2.81 0.00 0.00 60.65 58.10 1q2i h LYS 16 Cb 0.82 0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.14 1q2i h LYS 16 CO -0.00 -0.29 0.75 -0.22 -2.81 0.00 0.00 179.45 176.88 1q2i h LYS 17 N -0.45 0.00 0.00 1.90 1.63 -1.58 3.53 116.57 121.60 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 -0.41 0.00 0.00 -2.67 -3.45 0.00 0.00 179.45 172.92 1q2i n TRP 18 N -2.86 0.00 0.14 1.91 2.14 0.19 -4.69 117.44 114.26 1q2i n TRP 18 Ca 0.03 0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.64 1q2i n TRP 18 Cb 0.83 0.00 0.05 0.00 -0.81 0.00 0.00 31.31 31.38 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 -0.53 0.93 -1.50 -2.67 4.81 6.03 -5.04 118.16 120.19 1q2i n LYS 19 Ca 0.00 -1.20 -0.50 0.00 -0.87 0.00 0.00 58.31 55.74 1q2i n LYS 19 Cb 0.01 -1.13 -0.04 0.00 0.02 0.00 0.00 35.03 33.88 1q2i n LYS 19 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1q2i n MET 20 N 0.26 0.52 -0.71 1.64 1.56 1.13 -1.26 117.12 120.25 1q2i n MET 20 Ca 0.05 0.18 0.00 0.00 -0.27 0.00 0.00 57.70 57.66 1q2i n MET 20 Cb 0.22 -1.48 0.00 0.00 2.15 0.00 0.00 33.22 34.11 1q2i n MET 20 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 175.97 173.11 1q2i n ARG 21 N 1.29 0.00 -1.91 2.12 0.63 -1.26 -4.93 116.66 112.60 1q2i n ARG 21 Ca 0.16 0.31 -0.41 0.00 -0.92 0.00 0.00 57.85 56.99 1q2i n ARG 21 Cb 0.22 -2.73 -0.01 0.00 0.45 0.00 0.00 32.46 30.40 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 -2.71 3.72 0.00 -0.14 0.00 -0.39 -3.82 116.66 113.32 1q2i n ARG 22 Ca 0.00 -3.05 0.00 0.00 -0.00 0.00 0.00 57.85 54.80 1q2i n ARG 22 Cb 0.00 -2.90 0.00 0.00 -0.00 0.00 0.00 32.46 29.56 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 3.74 0.00 0.02 2.89 2.85 -1.26 -5.05 115.26 118.45 1q2i n ASN 23 Ca 0.56 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 55.03 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 1.67 -2.11 0.00 0.00 177.26 176.82 1q2i n GLN 24 N 0.00 0.00 -0.07 1.20 7.27 -1.26 -4.92 117.38 119.59 1q2i n GLN 24 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 56.90 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 -2.52 0.53 -1.45 3.69 -0.00 -1.26 -4.31 117.46 112.14 1q2i n PHE 25 Ca 0.00 0.13 -0.36 0.00 -0.00 0.00 0.00 57.45 57.22 1q2i n PHE 25 Cb 0.00 -1.07 0.07 0.00 -0.00 0.00 0.00 39.48 38.48 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 -3.25 3.19 -3.24 -5.13 2.14 -1.26 -4.79 117.44 105.09 1q2i n TRP 26 Ca -0.37 -2.90 -0.46 0.00 2.07 0.00 0.00 57.50 55.85 1q2i n TRP 26 Cb 1.04 -1.40 -0.01 0.00 -0.81 0.00 0.00 31.31 30.12 1q2i n TRP 26 CO 0.00 0.00 0.00 0.14 2.07 0.00 0.00 177.69 179.90 1q2i s VAL 27 N -4.88 5.58 0.00 -1.67 -7.23 -1.25 -4.20 120.40 106.75 1q2i s VAL 27 Ca 0.62 -2.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 1q2i s VAL 27 Cb 0.50 -4.61 0.00 0.00 0.56 0.00 0.00 36.38 32.83 1q2i s VAL 27 CO -0.09 -1.21 0.00 2.29 -0.31 0.00 0.00 175.10 175.78 1q2i n LYS 28 N 4.03 0.00 -1.12 4.82 2.85 -1.26 -4.99 118.16 122.49 1q2i n LYS 28 Ca 0.21 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.31 1q2i n LYS 28 Cb 0.44 -1.23 0.22 0.00 -0.65 0.00 0.00 35.03 33.81 1q2i n LYS 28 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1q2i n VAL 29 N -1.65 3.06 0.00 0.58 0.31 -1.26 -4.42 118.33 114.94 1q2i n VAL 29 Ca 0.00 -1.94 0.00 0.00 -0.01 0.00 0.00 64.34 62.39 1q2i n VAL 29 Cb 0.20 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 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 -0.87 0.00 -2.82 5.55 0.00 -1.26 -5.11 117.38 112.87 1q2i n GLN 30 Ca 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 57.00 57.48 1q2i n GLN 30 Cb 1.53 -0.11 -0.03 0.00 0.00 0.00 0.00 30.24 31.63 1q2i n GLN 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1q2i n ARG 31 N -2.18 -3.12 0.00 3.69 1.74 -1.26 -5.28 116.66 110.26 1q2i n ARG 31 Ca 0.00 2.46 0.02 0.00 -0.77 0.00 0.00 57.85 59.56 1q2i n ARG 31 Cb 0.00 -3.14 0.02 0.00 -1.02 0.00 0.00 32.46 28.31 1q2i n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52