#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 -0.84 -1.35 0.54 -0.04 -1.26 -4.93 135.00 127.13 1q2i n PRO 2 Ca 0.00 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1q2i n PRO 2 Cb 0.00 -0.06 0.00 0.00 -0.04 0.00 0.00 33.50 33.40 1q2i n PRO 2 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1q2i n LEU 3 N 0.00 -5.16 -2.55 1.53 7.94 -1.26 -4.93 117.00 112.56 1q2i n LEU 3 Ca 0.01 2.33 -0.02 0.00 -1.11 0.00 0.00 56.01 57.21 1q2i n LEU 3 Cb 0.02 -1.99 -0.02 0.00 0.53 0.00 0.00 43.42 41.96 1q2i n LEU 3 CO 0.02 -0.51 -0.42 -0.24 -1.11 0.00 0.00 177.39 175.13 1q2i n SER 4 N 0.29 -4.17 0.00 1.96 2.88 -1.26 -5.01 113.62 108.32 1q2i n SER 4 Ca 0.00 1.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.93 1q2i n SER 4 Cb 0.00 -4.13 0.00 0.00 -0.75 0.00 0.00 64.21 59.33 1q2i n SER 4 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q2i n GLN 5 N 1.95 0.00 -1.91 -1.46 1.13 -1.26 -4.83 117.38 111.01 1q2i n GLN 5 Ca -0.18 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.60 1q2i n GLN 5 Cb 0.28 0.00 0.03 0.00 0.11 0.00 0.00 30.24 30.67 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 0.00 3.34 0.00 -1.09 0.28 -1.26 -4.49 120.64 117.42 1q2i n GLU 6 Ca 0.00 -3.97 0.00 0.00 -0.16 0.00 0.00 57.16 53.03 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 0.27 3.84 -1.04 -1.26 -4.92 114.28 110.45 1q2i n THR 7 Ca 0.48 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.61 1q2i n THR 7 Cb 0.83 0.00 0.62 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 -1.96 1.17 116.94 109.59 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 -0.37 0.77 -2.00 0.00 0.00 178.31 176.71 1q2i h SER 9 N 0.00 0.00 0.43 -0.68 0.02 -1.88 -3.06 113.55 108.38 1q2i h SER 9 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1q2i h SER 9 Cb 0.66 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 1q2i h SER 9 CO 0.00 0.37 -0.13 -0.78 -1.14 0.00 0.00 176.83 175.15 1q2i h ASP 10 N 0.00 0.00 0.00 3.07 3.58 0.12 -3.37 116.42 119.82 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 1.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.23 1q2i h ASP 10 CO 0.05 0.13 0.00 0.00 -2.88 0.00 0.00 179.24 176.54 1q2i n LEU 11 N -3.61 0.00 0.00 2.28 -0.00 -1.16 -4.24 117.00 110.28 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 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.68 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 -0.78 117.44 121.92 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 0.09 118.16 120.87 1q2i n LYS 13 Ca 0.00 0.29 -0.22 0.00 -0.87 0.00 0.00 58.31 57.51 1q2i n LYS 13 Cb 0.00 -1.64 -0.15 0.00 0.02 0.00 0.00 35.03 33.26 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 -2.08 3.14 -0.00 -1.26 -3.28 115.31 112.37 1q2i h LEU 14 Ca 0.00 -0.91 0.00 0.00 -0.00 0.00 0.00 57.88 56.97 1q2i h LEU 14 Cb 0.28 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 1q2i h LEU 14 CO 0.00 1.64 0.00 -0.07 -0.00 0.00 0.00 178.44 180.01 1q2i h LEU 15 N -0.14 0.00 -0.14 0.17 -0.00 -0.61 -3.14 115.31 111.45 1q2i h LEU 15 Ca -0.28 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.62 1q2i h LEU 15 Cb 1.90 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 42.51 1q2i h LEU 15 CO 0.14 0.00 -0.36 0.50 -0.00 0.00 0.00 178.44 178.73 1q2i h LYS 16 N 0.00 -0.33 -0.72 1.13 3.11 -1.59 31.67 116.57 149.85 1q2i h LYS 16 Ca 0.00 0.02 0.21 0.00 -2.81 0.00 0.00 60.65 58.07 1q2i h LYS 16 Cb 0.20 0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.48 1q2i h LYS 16 CO 0.00 -0.22 0.72 -0.22 -2.81 0.00 0.00 179.45 176.92 1q2i h LYS 17 N -0.34 0.00 0.00 1.90 1.63 -1.76 1.59 116.57 119.59 1q2i h LYS 17 Ca 0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1q2i h LYS 17 Cb 0.42 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1q2i h LYS 17 CO -0.32 0.00 -0.64 -2.67 -3.45 0.00 0.00 179.45 172.38 1q2i n TRP 18 N -3.67 0.00 1.03 1.91 2.14 0.19 -4.42 117.44 114.62 1q2i n TRP 18 Ca 0.15 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.84 1q2i n TRP 18 Cb 0.97 -0.05 0.11 0.00 -0.81 0.00 0.00 31.31 31.54 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 -1.34 2.12 -0.98 -2.67 4.81 9.40 -4.97 118.16 124.53 1q2i n LYS 19 Ca 0.01 -1.73 -0.30 0.00 -0.87 0.00 0.00 58.31 55.42 1q2i n LYS 19 Cb 0.15 -1.46 0.16 0.00 0.02 0.00 0.00 35.03 33.90 1q2i n LYS 19 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 1q2i s MET 20 N -2.07 0.80 -0.36 1.64 1.75 0.48 -2.79 119.30 118.75 1q2i s MET 20 Ca 0.27 0.96 0.00 0.00 -1.25 0.00 0.00 55.69 55.67 1q2i s MET 20 Cb 0.20 -1.74 0.00 0.00 2.84 0.00 0.00 34.83 36.12 1q2i s MET 20 CO 0.34 -2.60 0.00 -2.13 -0.65 0.00 0.00 175.02 169.98 1q2i n ARG 21 N -4.15 -1.87 -2.39 4.11 0.63 -1.26 -4.85 116.66 106.88 1q2i n ARG 21 Ca 0.07 0.61 -0.42 0.00 -0.92 0.00 0.00 57.85 57.19 1q2i n ARG 21 Cb 0.54 -5.06 0.00 0.00 0.45 0.00 0.00 32.46 28.40 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 0.36 4.29 0.00 -0.14 5.12 -1.12 -4.78 116.66 120.38 1q2i n ARG 22 Ca -0.03 -3.83 0.00 0.00 -1.93 0.00 0.00 57.85 52.05 1q2i n ARG 22 Cb 0.52 -2.71 0.00 0.00 -1.16 0.00 0.00 32.46 29.11 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 2.29 0.00 0.00 0.55 5.15 -1.26 -5.09 115.26 116.90 1q2i n ASN 23 Ca 0.45 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.43 1q2i n ASN 23 Cb 0.31 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.56 1q2i n ASN 23 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1q2i n GLN 24 N 0.00 0.00 -0.50 1.20 6.02 -1.26 -4.93 117.38 117.90 1q2i n GLN 24 Ca 0.00 0.00 0.38 0.00 -0.01 0.00 0.00 57.00 57.37 1q2i n GLN 24 Cb 0.00 0.00 0.59 0.00 1.02 0.00 0.00 30.24 31.85 1q2i n GLN 24 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 1q2i n PHE 25 N -0.15 0.06 -1.09 1.08 -1.74 -1.26 0.34 117.46 114.70 1q2i n PHE 25 Ca 0.00 0.06 -0.25 0.00 -0.56 0.00 0.00 57.45 56.70 1q2i n PHE 25 Cb 0.00 -0.43 0.06 0.00 1.52 0.00 0.00 39.48 40.63 1q2i n PHE 25 CO 0.00 0.00 0.00 -2.67 -0.56 0.00 0.00 176.76 173.53 1q2i n TRP 26 N -3.49 2.27 -0.40 2.97 -0.00 -1.26 -4.66 117.44 112.87 1q2i n TRP 26 Ca 0.32 -2.43 0.00 0.00 -0.00 0.00 0.00 57.50 55.40 1q2i n TRP 26 Cb 1.45 -1.18 0.00 0.00 -0.00 0.00 0.00 31.31 31.58 1q2i n TRP 26 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 1q2i n VAL 27 N -0.19 0.00 -0.96 -1.67 0.24 1.04 -4.96 118.33 111.83 1q2i n VAL 27 Ca 0.44 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.56 1q2i n VAL 27 Cb 0.61 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 33.01 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 -2.88 7.34 5.02 -1.26 -4.73 118.16 123.53 1q2i n LYS 28 Ca 0.00 -1.72 -0.43 0.00 -2.02 0.00 0.00 58.31 54.14 1q2i n LYS 28 Cb 0.00 -1.69 0.01 0.00 -0.02 0.00 0.00 35.03 33.33 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 0.31 4.79 -4.16 -0.18 0.24 -1.26 -4.95 118.33 113.12 1q2i n VAL 29 Ca 0.33 -5.26 -0.15 0.00 -2.04 0.00 0.00 64.34 57.21 1q2i n VAL 29 Cb 0.58 -2.30 -0.06 0.00 -1.47 0.00 0.00 33.84 30.59 1q2i n VAL 29 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1q2i s GLN 30 N -1.08 1.75 0.71 7.34 -2.07 -1.26 -5.05 119.66 119.99 1q2i s GLN 30 Ca 0.35 -1.79 -0.03 0.00 -1.82 0.00 0.00 55.36 52.06 1q2i s GLN 30 Cb 0.02 0.39 0.10 0.00 -1.09 0.00 0.00 33.01 32.43 1q2i s GLN 30 CO 0.03 -0.68 0.99 -0.98 -1.32 0.00 0.00 175.29 173.32 1q2i s ARG 31 N -3.39 1.88 0.00 9.60 3.03 -1.26 -5.25 118.95 123.56 1q2i s ARG 31 Ca 0.34 -0.76 0.00 0.00 2.03 0.00 0.00 55.73 57.34 1q2i s ARG 31 Cb 0.01 -2.27 0.00 0.00 -1.03 0.00 0.00 34.95 31.66 1q2i s ARG 31 CO 0.21 -1.34 0.00 0.41 -1.13 0.00 0.00 175.30 173.45