#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 2.04 -1.35 0.54 -0.04 -1.26 -4.70 135.00 130.23 1q2i n PRO 2 Ca 0.00 -1.76 0.00 0.00 -0.04 0.00 0.00 63.50 61.70 1q2i n PRO 2 Cb 0.00 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 30.73 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 5.60 -5.19 -3.44 1.53 7.99 -1.26 -4.99 117.00 117.24 1q2i n LEU 3 Ca 0.49 2.34 -0.05 0.00 -0.01 0.00 0.00 56.01 58.79 1q2i n LEU 3 Cb 0.27 -2.00 -0.06 0.00 -0.11 0.00 0.00 43.42 41.51 1q2i n LEU 3 CO 0.86 -0.50 0.07 -0.55 -1.51 0.00 0.00 177.39 175.76 1q2i s SER 4 N -1.65 -0.50 0.00 -1.43 0.15 -1.26 -4.50 113.70 104.50 1q2i s SER 4 Ca 0.00 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.46 1q2i s SER 4 Cb 0.00 1.62 0.00 0.00 -1.71 0.00 0.00 66.02 65.93 1q2i s SER 4 CO 0.00 -0.26 0.00 0.00 1.20 0.00 0.00 173.24 174.18 1q2i n GLN 5 N 5.40 0.00 -1.92 5.44 6.02 -1.26 -4.82 117.38 126.24 1q2i n GLN 5 Ca -0.06 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.65 1q2i n GLN 5 Cb 0.50 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.79 1q2i n GLN 5 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1q2i n GLU 6 N 0.00 3.32 0.00 -1.09 0.28 -1.26 -4.49 120.64 117.41 1q2i n GLU 6 Ca 0.00 -3.98 0.00 0.00 -0.16 0.00 0.00 57.16 53.02 1q2i n GLU 6 Cb 0.00 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 30.59 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 -0.72 0.00 0.28 3.84 -1.04 -1.26 -4.91 114.28 110.47 1q2i n THR 7 Ca 0.48 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.61 1q2i n THR 7 Cb 0.81 0.00 0.60 0.00 -1.82 0.00 0.00 70.33 69.92 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 -1.89 1.35 116.94 109.83 1q2i h PHE 8 Ca 0.00 0.00 -0.09 0.00 -0.20 0.00 0.00 57.97 57.68 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 -0.42 1.03 -2.00 0.00 0.00 178.31 176.92 1q2i h SER 9 N 0.00 0.00 0.42 -0.68 0.87 -1.79 -3.04 113.55 109.34 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 0.78 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1q2i h SER 9 CO 0.00 0.42 -0.11 -0.78 -0.53 0.00 0.00 176.83 175.82 1q2i h ASP 10 N 0.00 0.00 0.00 6.23 3.58 0.15 -3.37 116.42 123.01 1q2i h ASP 10 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1q2i h ASP 10 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 1q2i h ASP 10 CO 0.05 0.11 0.00 0.00 -2.88 0.00 0.00 179.24 176.53 1q2i n LEU 11 N -3.56 0.00 0.00 2.28 -0.00 -1.15 -4.28 117.00 110.29 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 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 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 0.00 1.47 5.03 -1.24 -0.96 117.44 121.74 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 0.05 -0.99 4.81 -1.26 0.71 118.16 121.48 1q2i n LYS 13 Ca 0.00 0.26 -0.23 0.00 -0.87 0.00 0.00 58.31 57.47 1q2i n LYS 13 Cb 0.00 -1.71 -0.15 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 0.55 -1.76 3.14 -0.00 -1.35 -3.32 115.31 112.56 1q2i h LEU 14 Ca 0.00 -0.92 0.19 0.00 -0.00 0.00 0.00 57.88 57.15 1q2i h LEU 14 Cb 0.41 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 40.85 1q2i h LEU 14 CO 0.00 1.76 0.53 -0.07 -0.00 0.00 0.00 178.44 180.67 1q2i h LEU 15 N 0.01 0.21 -0.52 0.17 -0.00 0.01 -1.85 115.31 113.34 1q2i h LEU 15 Ca -0.35 0.02 0.08 0.00 -0.00 0.00 0.00 57.88 57.63 1q2i h LEU 15 Cb 2.02 -0.02 -0.10 0.00 -0.00 0.00 0.00 40.66 42.56 1q2i h LEU 15 CO 0.14 0.10 -0.44 0.50 -0.00 0.00 0.00 178.44 178.73 1q2i h LYS 16 N 0.22 -0.26 -0.30 1.13 3.11 -1.66 12.27 116.57 131.09 1q2i h LYS 16 Ca 0.38 0.02 0.09 0.00 -2.81 0.00 0.00 60.65 58.33 1q2i h LYS 16 Cb 1.17 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.45 1q2i h LYS 16 CO -0.08 -0.17 0.86 -0.22 -2.81 0.00 0.00 179.45 177.03 1q2i h LYS 17 N -0.27 0.00 0.00 1.90 1.63 -1.55 4.22 116.57 122.51 1q2i h LYS 17 Ca 0.16 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 1q2i h LYS 17 Cb 0.57 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1q2i h LYS 17 CO -0.65 0.00 -0.03 -2.67 -3.45 0.00 0.00 179.45 172.65 1q2i n TRP 18 N -2.89 0.00 -0.02 1.91 2.14 0.40 -4.69 117.44 114.30 1q2i n TRP 18 Ca 0.06 0.00 0.01 0.00 2.07 0.00 0.00 57.50 59.65 1q2i n TRP 18 Cb 0.97 0.00 0.04 0.00 -0.81 0.00 0.00 31.31 31.50 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 -0.64 2.32 -0.45 -2.67 5.02 3.76 -5.07 118.16 120.43 1q2i n LYS 19 Ca 0.00 -1.47 -0.15 0.00 -2.02 0.00 0.00 58.31 54.67 1q2i n LYS 19 Cb 0.00 -1.07 -0.01 0.00 -0.02 0.00 0.00 35.03 33.93 1q2i n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q2i n MET 20 N -0.16 0.00 -0.51 1.97 0.00 1.33 0.23 117.12 119.98 1q2i n MET 20 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.73 1q2i n MET 20 Cb 0.26 -0.32 0.00 0.00 0.00 0.00 0.00 33.22 33.15 1q2i n MET 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1q2i n ARG 21 N 0.33 0.00 -2.11 3.17 0.63 -1.26 -4.93 116.66 112.49 1q2i n ARG 21 Ca 0.06 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.57 1q2i n ARG 21 Cb 0.08 -1.85 -0.00 0.00 0.45 0.00 0.00 32.46 31.15 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 -2.00 3.84 0.00 -0.14 3.00 0.13 -3.52 116.66 117.97 1q2i n ARG 22 Ca 0.00 -3.33 0.00 0.00 -0.01 0.00 0.00 57.85 54.51 1q2i n ARG 22 Cb 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 32.46 29.59 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 3.43 0.00 -0.12 0.55 5.15 -1.26 -4.90 115.26 118.11 1q2i n ASN 23 Ca 0.50 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 54.52 1q2i n ASN 23 Cb 0.32 0.00 0.08 0.00 -0.53 0.00 0.00 39.78 39.65 1q2i n ASN 23 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1q2i n GLN 24 N -0.03 -0.03 0.02 1.20 0.00 -1.23 0.28 117.38 117.59 1q2i n GLN 24 Ca 0.00 0.50 -0.22 0.00 -0.00 0.00 0.00 57.00 57.28 1q2i n GLN 24 Cb 0.00 -0.78 -0.14 0.00 0.00 0.00 0.00 30.24 29.32 1q2i n GLN 24 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 1q2i h PHE 25 N 0.00 0.50 -1.90 3.69 3.04 -1.94 -3.36 116.94 116.97 1q2i h PHE 25 Ca 0.18 -0.36 -0.76 0.00 3.98 0.00 0.00 57.97 61.01 1q2i h PHE 25 Cb 0.34 -0.02 -0.27 0.00 2.56 0.00 0.00 35.95 38.57 1q2i h PHE 25 CO -0.20 1.63 1.04 -2.67 -2.02 0.00 0.00 178.31 176.09 1q2i n TRP 26 N -3.78 2.95 0.00 0.41 2.14 0.78 -4.79 117.44 115.16 1q2i n TRP 26 Ca -0.27 -2.36 0.00 0.00 2.07 0.00 0.00 57.50 56.94 1q2i n TRP 26 Cb 0.96 -1.21 0.00 0.00 -0.81 0.00 0.00 31.31 30.25 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 -0.52 0.00 -1.02 -1.67 0.24 0.55 -4.69 118.33 111.21 1q2i n VAL 27 Ca 0.54 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.67 1q2i n VAL 27 Cb 0.27 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.63 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 1.90 -1.99 7.34 5.02 -1.26 -4.77 118.16 124.39 1q2i n LYS 28 Ca 0.00 -1.57 -0.42 0.00 -2.02 0.00 0.00 58.31 54.30 1q2i n LYS 28 Cb 0.00 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 1q2i n LYS 28 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1q2i n VAL 29 N 0.77 3.79 -2.70 -0.18 0.24 -1.26 -4.37 118.33 114.62 1q2i n VAL 29 Ca 0.33 -3.56 -0.07 0.00 -2.04 0.00 0.00 64.34 59.00 1q2i n VAL 29 Cb 0.59 -2.51 0.09 0.00 -1.47 0.00 0.00 33.84 30.54 1q2i n VAL 29 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1q2i n GLN 30 N 5.41 0.88 -4.29 7.34 10.64 -1.26 -5.11 117.38 130.99 1q2i n GLN 30 Ca 0.47 -1.62 -0.17 0.00 -1.83 0.00 0.00 57.00 53.86 1q2i n GLN 30 Cb 0.38 -0.50 -0.09 0.00 -0.86 0.00 0.00 30.24 29.17 1q2i n GLN 30 CO 0.00 0.00 0.00 -0.98 -1.83 0.00 0.00 177.06 174.25 1q2i s ARG 31 N 0.19 1.48 0.00 2.61 1.70 -1.26 -5.27 118.95 118.40 1q2i s ARG 31 Ca 0.20 -1.83 0.00 0.00 -0.47 0.00 0.00 55.73 53.63 1q2i s ARG 31 Cb 0.30 0.04 0.00 0.00 -0.57 0.00 0.00 34.95 34.73 1q2i s ARG 31 CO -0.08 -0.44 0.00 0.41 -1.08 0.00 0.00 175.30 174.11