#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 s LYS 2 N 0.00 2.82 0.58 1.61 -0.14 -1.26 -5.08 119.74 118.28 1q86 s LYS 2 Ca 0.00 -1.54 -0.09 0.00 -1.36 0.00 0.00 55.97 52.98 1q86 s LYS 2 Cb 0.00 -4.07 -0.04 0.00 -1.68 0.00 0.00 37.83 32.04 1q86 s LYS 2 CO 0.00 -1.12 0.96 -1.59 -0.76 0.00 0.00 175.35 172.83 1q86 s LYS 3 N 1.54 3.55 0.57 1.68 -2.85 -1.26 -5.09 119.74 117.89 1q86 s LYS 3 Ca 0.04 0.57 0.09 0.00 -1.00 0.00 0.00 55.97 55.67 1q86 s LYS 3 Cb -0.26 -2.17 0.09 0.00 -2.06 0.00 0.00 37.83 33.43 1q86 s LYS 3 CO 0.03 -0.48 0.75 -1.13 0.10 0.00 0.00 175.35 174.62 1q86 n SER 4 N -2.61 2.19 -0.24 0.03 3.41 -1.26 -4.92 113.62 110.22 1q86 n SER 4 Ca 0.04 -2.58 -0.07 0.00 -0.26 0.00 0.00 58.87 56.00 1q86 n SER 4 Cb 0.54 -0.37 0.04 0.00 -0.26 0.00 0.00 64.21 64.16 1q86 n SER 4 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1q86 h LYS 5 N 0.00 1.07 -0.03 4.33 3.64 -1.99 -1.29 116.57 122.30 1q86 h LYS 5 Ca -0.28 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 58.84 1q86 h LYS 5 Cb 1.25 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1q86 h LYS 5 CO 0.41 0.94 -0.04 0.00 -2.27 0.00 0.00 179.45 178.49 1q86 h ALA 6 N 1.08 0.04 -0.66 5.00 0.00 -1.99 -2.36 119.26 120.37 1q86 h ALA 6 Ca 0.22 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 54.96 1q86 h ALA 6 Cb 0.33 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 1q86 h ALA 6 CO -0.00 -0.16 0.24 1.15 0.00 0.00 0.00 179.25 180.47 1q86 h THR 7 N -0.41 0.71 -0.55 0.00 2.02 -1.93 0.03 112.91 112.78 1q86 h THR 7 Ca 0.00 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 1q86 h THR 7 Cb 0.56 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1q86 h THR 7 CO 0.01 0.07 0.16 0.50 0.37 0.00 0.00 175.52 176.63 1q86 h LYS 8 N 0.40 0.83 -0.57 6.66 3.64 -1.22 -1.10 116.57 125.21 1q86 h LYS 8 Ca 0.35 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.50 1q86 h LYS 8 Cb 0.48 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1q86 h LYS 8 CO -0.36 0.73 0.06 0.87 -2.27 0.00 0.00 179.45 178.48 1q86 h LYS 9 N 0.80 0.94 -0.35 1.90 1.57 -0.48 -0.97 116.57 119.98 1q86 h LYS 9 Ca 0.18 -0.25 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 1q86 h LYS 9 Cb 0.26 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1q86 h LYS 9 CO -0.01 0.89 -0.23 0.00 -0.57 0.00 0.00 179.45 179.54 1q86 h ARG 10 N 0.88 0.77 -0.80 3.15 3.08 -0.64 -1.68 114.38 119.14 1q86 h ARG 10 Ca 0.17 -0.36 0.02 0.00 0.07 0.00 0.00 59.98 59.88 1q86 h ARG 10 Cb 0.43 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 1q86 h ARG 10 CO 0.01 0.99 0.52 -0.07 -1.07 0.00 0.00 179.97 180.35 1q86 h LEU 11 N 0.55 0.87 -0.57 3.04 3.38 -1.00 -1.30 115.31 120.29 1q86 h LEU 11 Ca 0.07 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1q86 h LEU 11 Cb 0.79 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1q86 h LEU 11 CO 0.06 0.61 0.34 0.00 0.09 0.00 0.00 178.44 179.55 1q86 h ALA 12 N 1.32 0.73 0.19 1.53 0.00 -0.94 -0.81 119.26 121.28 1q86 h ALA 12 Ca 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1q86 h ALA 12 Cb -0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1q86 h ALA 12 CO -0.09 0.05 -0.11 -0.22 0.00 0.00 0.00 179.25 178.88 1q86 h LYS 13 N 0.66 -0.28 -0.77 0.00 3.64 -0.44 -1.62 116.57 117.76 1q86 h LYS 13 Ca 0.23 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.74 1q86 h LYS 13 Cb 0.04 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 31.85 1q86 h LYS 13 CO -0.11 -0.19 0.39 -0.07 -2.27 0.00 0.00 179.45 177.21 1q86 h LEU 14 N -0.29 0.51 -0.75 5.20 3.38 -1.01 0.22 115.31 122.57 1q86 h LEU 14 Ca -0.02 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.05 1q86 h LEU 14 Cb 0.24 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1q86 h LEU 14 CO 0.02 0.27 0.48 -0.78 0.09 0.00 0.00 178.44 178.51 1q86 h ASP 15 N 0.64 0.79 -0.26 -0.43 3.58 -0.78 -1.86 116.42 118.10 1q86 h ASP 15 Ca 0.39 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.79 1q86 h ASP 15 Cb 0.44 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1q86 h ASP 15 CO -0.29 0.55 -0.01 -1.13 -2.88 0.00 0.00 179.24 175.47 1q86 h ASN 16 N 0.94 0.47 0.00 2.28 -0.00 -0.09 -1.90 115.58 117.28 1q86 h ASN 16 Ca 0.29 -0.32 0.00 0.00 -0.00 0.00 0.00 56.30 56.27 1q86 h ASN 16 Cb -0.01 -0.13 0.00 0.00 -0.00 0.00 0.00 38.32 38.19 1q86 h ASN 16 CO -0.10 0.68 0.01 0.00 -0.00 0.00 0.00 177.43 178.02 1q86 n GLN 17 N -4.60 0.13 -0.08 6.67 6.02 0.59 -1.49 117.38 124.62 1q86 n GLN 17 Ca -0.03 0.62 0.02 0.00 -0.01 0.00 0.00 57.00 57.60 1q86 n GLN 17 Cb 0.26 -1.93 0.06 0.00 1.02 0.00 0.00 30.24 29.65 1q86 n GLN 17 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1q86 n ASN 18 N -2.19 0.89 -4.87 1.08 4.05 -0.71 -4.82 115.26 108.69 1q86 n ASN 18 Ca -0.01 -2.02 -0.23 0.00 0.45 0.00 0.00 54.58 52.77 1q86 n ASN 18 Cb 0.04 -0.14 0.07 0.00 1.23 0.00 0.00 39.78 40.98 1q86 n ASN 18 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1q86 s SER 19 N -0.90 4.87 0.22 1.20 1.04 -0.55 -4.90 113.70 114.67 1q86 s SER 19 Ca 0.10 0.04 -0.01 0.00 0.48 0.00 0.00 55.95 56.56 1q86 s SER 19 Cb 0.05 -0.72 -0.04 0.00 0.10 0.00 0.00 66.02 65.41 1q86 s SER 19 CO 0.06 -1.48 0.41 -0.60 0.98 0.00 0.00 173.24 172.61 1q86 s ARG 20 N -5.01 3.52 -0.02 4.02 3.52 -1.26 -5.00 118.95 118.72 1q86 s ARG 20 Ca 0.61 -0.33 -0.31 0.00 -0.13 0.00 0.00 55.73 55.56 1q86 s ARG 20 Cb -0.09 -2.82 -0.09 0.00 -1.56 0.00 0.00 34.95 30.39 1q86 s ARG 20 CO 0.42 0.38 1.98 0.28 -0.81 0.00 0.00 175.30 177.54 1q86 n VAL 21 N -0.76 0.69 -1.63 7.11 0.31 -1.26 -4.88 118.33 117.91 1q86 n VAL 21 Ca -0.05 -0.15 -0.39 0.00 -0.01 0.00 0.00 64.34 63.74 1q86 n VAL 21 Cb 0.54 -2.22 0.04 0.00 -0.91 0.00 0.00 33.84 31.29 1q86 n VAL 21 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1q86 n PRO 22 N 7.43 1.12 -0.22 5.55 -0.04 -1.26 -4.91 135.00 142.67 1q86 n PRO 22 Ca 0.22 0.42 0.01 0.00 -0.04 0.00 0.00 63.50 64.11 1q86 n PRO 22 Cb 0.38 -2.19 0.10 0.00 -0.04 0.00 0.00 33.50 31.75 1q86 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1q86 h ALA 23 N 0.88 0.58 -0.17 0.55 0.00 -2.03 -1.68 119.26 117.38 1q86 h ALA 23 Ca -0.48 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1q86 h ALA 23 Cb 1.35 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1q86 h ALA 23 CO 0.53 -0.42 0.10 0.11 0.00 0.00 0.00 179.25 179.57 1q86 h TRP 24 N 0.06 0.22 0.00 0.00 5.08 -2.01 -1.71 115.95 117.58 1q86 h TRP 24 Ca 0.34 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.29 1q86 h TRP 24 Cb 0.56 -0.07 -0.00 0.00 -3.00 0.00 0.00 29.16 26.64 1q86 h TRP 24 CO -0.45 0.15 -0.12 0.28 -1.28 0.00 0.00 178.44 177.02 1q86 h VAL 25 N 0.23 0.69 -0.40 0.12 2.07 -1.66 -0.37 116.25 116.93 1q86 h VAL 25 Ca 0.06 -0.49 -0.15 0.00 0.82 0.00 0.00 66.70 66.94 1q86 h VAL 25 Cb -0.00 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1q86 h VAL 25 CO -0.01 0.12 -0.35 0.24 0.02 0.00 0.00 177.57 177.58 1q86 h MET 26 N 0.00 0.95 -0.02 1.57 2.86 -1.36 -2.00 114.93 116.93 1q86 h MET 26 Ca -0.00 -0.48 -0.09 0.00 -2.06 0.00 0.00 59.70 57.07 1q86 h MET 26 Cb 0.29 0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.96 1q86 h MET 26 CO 0.02 1.14 -0.33 -0.07 1.06 0.00 0.00 176.91 178.72 1q86 h LEU 27 N 0.78 0.32 -2.64 1.22 3.38 -1.45 0.12 115.31 117.04 1q86 h LEU 27 Ca 0.07 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1q86 h LEU 27 Cb 0.94 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1q86 h LEU 27 CO 0.09 1.01 0.00 0.50 0.09 0.00 0.00 178.44 180.13 1q86 h LYS 28 N -0.34 0.00 -0.05 1.13 3.64 -1.10 -1.24 116.57 118.62 1q86 h LYS 28 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1q86 h LYS 28 Cb 1.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1q86 h LYS 28 CO 0.07 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.50 1q86 n THR 29 N -2.93 0.25 -2.86 1.00 -2.24 -0.76 -4.97 114.28 101.78 1q86 n THR 29 Ca -0.03 -0.63 -0.19 0.00 -2.27 0.00 0.00 64.05 60.94 1q86 n THR 29 Cb 0.08 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1q86 n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1q86 n ASP 30 N 0.22 -4.40 -1.10 3.42 8.00 -0.47 -5.04 116.55 117.17 1q86 n ASP 30 Ca 0.04 -0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1q86 n ASP 30 Cb 0.18 -3.66 0.00 0.00 -0.02 0.00 0.00 41.12 37.63 1q86 n ASP 30 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1q86 n GLU 31 N -3.37 -3.16 0.00 -1.24 1.02 0.31 -5.02 120.64 109.18 1q86 n GLU 31 Ca -0.10 2.35 0.00 0.00 -0.02 0.00 0.00 57.16 59.39 1q86 n GLU 31 Cb 0.59 -2.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.37 1q86 n GLU 31 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1q86 n ARG 35 N -0.86 0.00 -3.58 3.49 1.74 -1.26 -5.05 116.66 111.13 1q86 n ARG 35 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 1q86 n ARG 35 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.35 1q86 n ARG 35 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1q86 s ASN 36 N 0.00 5.65 0.00 0.55 3.84 -1.26 -4.94 114.94 118.78 1q86 s ASN 36 Ca 0.00 -1.85 0.22 0.00 0.21 0.00 0.00 52.86 51.45 1q86 s ASN 36 Cb 0.00 -1.99 1.32 0.00 -0.55 0.00 0.00 41.25 40.03 1q86 s ASN 36 CO 0.00 -0.65 1.71 1.41 -2.79 0.00 0.00 177.10 176.78 1q86 n HIS 37 N 4.88 0.00 -1.36 0.43 8.25 -1.26 -3.10 115.22 123.06 1q86 n HIS 37 Ca -0.08 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.34 1q86 n HIS 37 Cb 0.41 -0.02 0.21 0.00 1.12 0.00 0.00 29.99 31.71 1q86 n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1q86 n LYS 38 N -1.02 2.05 -2.32 -0.41 5.02 -1.26 -5.00 118.16 115.22 1q86 n LYS 38 Ca 0.16 -3.12 -0.43 0.00 -2.02 0.00 0.00 58.31 52.91 1q86 n LYS 38 Cb 0.08 -1.86 -0.02 0.00 -0.02 0.00 0.00 35.03 33.21 1q86 n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1q86 s ARG 39 N -3.19 4.22 -0.19 1.97 0.52 -1.18 -4.74 118.95 116.36 1q86 s ARG 39 Ca 0.46 1.79 0.01 0.00 -0.52 0.00 0.00 55.73 57.47 1q86 s ARG 39 Cb 0.41 -3.81 0.03 0.00 0.52 0.00 0.00 34.95 32.10 1q86 s ARG 39 CO 0.02 -0.73 -0.17 0.50 0.02 0.00 0.00 175.30 174.94 1q86 s ARG 40 N 3.56 2.68 0.03 3.54 3.52 -1.26 -5.06 118.95 125.96 1q86 s ARG 40 Ca 0.59 -0.86 -0.21 0.00 -0.13 0.00 0.00 55.73 55.12 1q86 s ARG 40 Cb -0.25 -2.52 -0.06 0.00 -1.56 0.00 0.00 34.95 30.56 1q86 s ARG 40 CO 0.19 -0.29 0.63 -1.58 -0.81 0.00 0.00 175.30 173.44 1q86 s HIS 41 N 1.31 3.73 0.33 5.12 5.65 -1.26 -4.95 115.29 125.22 1q86 s HIS 41 Ca 0.02 1.30 0.06 0.00 0.25 0.00 0.00 55.06 56.69 1q86 s HIS 41 Cb -0.14 -2.64 0.73 0.00 -1.18 0.00 0.00 32.58 29.35 1q86 s HIS 41 CO -0.11 0.39 1.87 0.11 -0.65 0.00 0.00 174.74 176.36 1q86 h TRP 42 N 5.34 0.91 0.00 3.88 5.08 -2.00 0.19 115.95 129.35 1q86 h TRP 42 Ca -0.46 0.03 -0.05 0.00 1.08 0.00 0.00 58.89 59.49 1q86 h TRP 42 Cb 1.20 -0.29 -0.01 0.00 -3.00 0.00 0.00 29.16 27.07 1q86 h TRP 42 CO 0.66 0.37 -0.39 -0.09 -1.28 0.00 0.00 178.44 177.70 1q86 h ARG 43 N 0.80 0.00 -0.17 0.12 2.43 -2.05 -3.39 114.38 112.13 1q86 h ARG 43 Ca 0.44 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.56 1q86 h ARG 43 Cb 0.58 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1q86 h ARG 43 CO -0.21 0.44 -0.14 0.00 -1.51 0.00 0.00 179.97 178.55 1q86 h ARG 44 N -1.00 0.27 -6.19 0.20 2.47 -1.97 -3.45 114.38 104.71 1q86 h ARG 44 Ca -0.07 -0.07 -0.53 0.00 -1.26 0.00 0.00 59.98 58.05 1q86 h ARG 44 Cb 0.63 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.90 1q86 h ARG 44 CO -0.04 0.42 -0.28 -0.80 0.56 0.00 0.00 179.97 179.83 1q86 s ASN 45 N -6.86 4.91 -0.03 7.04 0.01 0.66 -4.96 114.94 115.70 1q86 s ASN 45 Ca -0.06 -0.97 -0.01 0.00 -0.71 0.00 0.00 52.86 51.12 1q86 s ASN 45 Cb 0.15 0.04 0.03 0.00 0.41 0.00 0.00 41.25 41.88 1q86 s ASN 45 CO 0.74 -1.00 0.05 -0.62 -1.51 0.00 0.00 177.10 174.75 1q86 s ASP 46 N -4.32 0.44 0.67 -1.22 -1.08 -1.26 -4.74 116.67 105.14 1q86 s ASP 46 Ca 0.46 0.07 -0.07 0.00 -0.52 0.00 0.00 52.55 52.49 1q86 s ASP 46 Cb -0.04 -0.08 0.04 0.00 -1.46 0.00 0.00 42.92 41.39 1q86 s ASP 46 CO 0.28 -0.17 0.98 0.42 0.52 0.00 0.00 175.17 177.20 1q86 s THR 47 N 1.47 2.80 0.76 1.71 -4.23 -1.26 -5.09 115.64 111.80 1q86 s THR 47 Ca -0.04 -0.13 -0.13 0.00 -1.18 0.00 0.00 61.69 60.21 1q86 s THR 47 Cb -0.13 -3.18 0.18 0.00 1.34 0.00 0.00 72.50 70.71 1q86 s THR 47 CO -0.03 -0.19 0.95 0.47 -0.54 0.00 0.00 174.62 175.27 1q86 n ASP 48 N -2.82 -0.29 0.00 3.99 10.43 -1.26 -5.27 116.55 121.33 1q86 n ASP 48 Ca 0.07 -1.28 0.00 0.00 2.57 0.00 0.00 54.79 56.15 1q86 n ASP 48 Cb 0.59 -0.75 0.00 0.00 1.84 0.00 0.00 41.12 42.81 1q86 n ASP 48 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51