#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a51 s THR 2 N 0.00 1.42 -0.06 1.96 2.01 -1.10 -1.41 115.64 118.46 2a51 s THR 2 Ca 0.00 -0.75 -0.28 0.00 0.31 0.00 0.00 61.69 60.96 2a51 s THR 2 Cb 0.00 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.30 2a51 s THR 2 CO 0.00 0.40 0.94 0.00 -0.69 0.00 0.00 174.62 175.27 2a51 n PHE 4 N 4.40 3.13 0.00 0.00 3.72 -1.26 -3.45 117.46 124.00 2a51 n PHE 4 Ca 0.06 -2.82 0.00 0.00 -0.05 0.00 0.00 57.45 54.64 2a51 n PHE 4 Cb 0.50 -1.18 0.00 0.00 -0.94 0.00 0.00 39.48 37.86 2a51 n PHE 4 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2a51 n ASN 5 N -0.83 0.00 0.05 4.37 5.15 -1.26 -4.87 115.26 117.86 2a51 n ASN 5 Ca 0.58 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 54.55 2a51 n ASN 5 Cb 0.68 0.13 -0.07 0.00 -0.53 0.00 0.00 39.78 40.00 2a51 n ASN 5 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2a51 n GLY 7 N 1.38 0.82 3.57 0.00 0.00 -1.22 -4.83 105.19 104.90 2a51 n GLY 7 Ca -0.08 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 2a51 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a51 s LYS 8 N -0.66 3.89 1.05 1.61 -0.14 -1.26 -4.83 119.74 119.40 2a51 s LYS 8 Ca 0.00 -0.36 -0.12 0.00 -1.36 0.00 0.00 55.97 54.13 2a51 s LYS 8 Cb 0.00 -3.63 0.19 0.00 -1.68 0.00 0.00 37.83 32.71 2a51 s LYS 8 CO 0.00 -0.20 0.88 -2.30 -0.76 0.00 0.00 175.35 172.98 2a51 n PRO 9 N 5.05 -1.38 -0.01 -1.68 -0.02 -1.26 -3.36 135.00 132.33 2a51 n PRO 9 Ca -0.14 -0.36 0.00 0.00 -2.02 0.00 0.00 63.50 60.98 2a51 n PRO 9 Cb 0.52 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 2a51 n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a51 n GLY 10 N 0.91 0.22 3.71 -1.23 0.00 -0.50 -4.89 105.19 103.42 2a51 n GLY 10 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 2a51 n GLY 10 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2a51 s HIS 11 N -2.05 0.42 0.22 1.61 -3.43 -1.20 -4.98 115.29 105.87 2a51 s HIS 11 Ca 0.00 -0.98 0.11 0.00 -0.80 0.00 0.00 55.06 53.40 2a51 s HIS 11 Cb 0.00 0.58 -0.05 0.00 -1.43 0.00 0.00 32.58 31.69 2a51 s HIS 11 CO 0.00 -1.47 -0.22 0.99 -2.00 0.00 0.00 174.74 172.04 2a51 s THR 12 N -2.42 2.31 0.53 -5.38 2.01 -1.26 -0.98 115.64 110.45 2a51 s THR 12 Ca 0.20 -2.15 0.28 0.00 0.31 0.00 0.00 61.69 60.34 2a51 s THR 12 Cb -0.04 -2.15 0.44 0.00 0.01 0.00 0.00 72.50 70.76 2a51 s THR 12 CO 0.14 -0.24 1.95 0.00 -0.69 0.00 0.00 174.62 175.78 2a51 h ALA 13 N 2.89 2.66 -0.59 7.40 0.00 -1.89 0.11 119.26 129.85 2a51 h ALA 13 Ca -0.44 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.52 2a51 h ALA 13 Cb 1.22 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 2a51 h ALA 13 CO 0.53 -0.86 0.27 -0.09 0.00 0.00 0.00 179.25 179.09 2a51 h ARG 14 N 0.00 0.48 0.00 0.00 9.65 -1.96 -2.93 114.38 119.63 2a51 h ARG 14 Ca 0.33 -0.03 -0.24 0.00 -1.10 0.00 0.00 59.98 58.94 2a51 h ARG 14 Cb 1.34 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 29.77 2a51 h ARG 14 CO -0.00 0.32 -1.26 0.52 2.80 0.00 0.00 179.97 182.35 2a51 h MET 15 N 0.49 0.01 -6.59 0.20 2.86 -1.28 -3.47 114.93 107.15 2a51 h MET 15 Ca 0.28 -0.02 -0.52 0.00 -2.06 0.00 0.00 59.70 57.38 2a51 h MET 15 Cb 0.26 0.01 0.05 0.00 0.06 0.00 0.00 31.60 31.98 2a51 h MET 15 CO -0.23 0.83 1.05 0.00 1.06 0.00 0.00 176.91 179.63 2a51 h ARG 17 N 7.59 0.39 -7.20 0.00 9.65 -1.91 -3.48 114.38 119.42 2a51 h ARG 17 Ca -0.44 -0.67 -0.53 0.00 -1.10 0.00 0.00 59.98 57.24 2a51 h ARG 17 Cb 1.21 0.25 0.15 0.00 -1.39 0.00 0.00 29.97 30.19 2a51 h ARG 17 CO 0.95 1.31 0.37 -0.65 2.80 0.00 0.00 179.97 184.75 2a51 s GLN 18 N -2.62 2.07 0.53 0.20 -1.52 -1.26 -5.02 119.66 112.04 2a51 s GLN 18 Ca -0.08 1.67 -0.14 0.00 -1.95 0.00 0.00 55.36 54.86 2a51 s GLN 18 Cb 0.06 -1.84 -0.06 0.00 -0.22 0.00 0.00 33.01 30.95 2a51 s GLN 18 CO 0.90 -1.87 0.97 -1.25 -0.25 0.00 0.00 175.29 173.79 2a51 s PRO 19 N -4.07 3.81 0.47 2.91 0.04 -1.26 -4.82 135.00 132.08 2a51 s PRO 19 Ca 0.72 0.81 -0.23 0.00 0.04 0.00 0.00 61.00 62.33 2a51 s PRO 19 Cb -0.27 -2.16 -0.08 0.00 0.04 0.00 0.00 34.50 32.03 2a51 s PRO 19 CO 0.47 -0.33 1.19 -2.13 0.04 0.00 0.00 177.00 176.24 2a51 n ARG 20 N -1.93 1.61 -2.34 4.56 0.63 -1.26 -4.53 116.66 113.41 2a51 n ARG 20 Ca 0.06 0.58 -0.34 0.00 -0.92 0.00 0.00 57.85 57.23 2a51 n ARG 20 Cb 0.54 -2.32 -0.01 0.00 0.45 0.00 0.00 32.46 31.12 2a51 n ARG 20 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2a51 s GLN 21 N -2.37 3.57 0.08 -0.14 2.00 -0.21 -4.96 119.66 117.62 2a51 s GLN 21 Ca 0.66 1.37 -0.36 0.00 -2.00 0.00 0.00 55.36 55.03 2a51 s GLN 21 Cb -0.49 -2.06 -0.17 0.00 0.80 0.00 0.00 33.01 31.09 2a51 s GLN 21 CO 0.54 -0.63 1.57 0.93 -0.50 0.00 0.00 175.29 177.21 2a51 h GLU 22 N 1.16 -0.99 0.00 1.67 5.08 -1.94 -3.47 114.58 116.09 2a51 h GLU 22 Ca -0.49 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2a51 h GLU 22 Cb 1.23 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.70 2a51 h GLU 22 CO 0.58 -0.66 0.00 0.41 -1.00 0.00 0.00 179.01 178.34 2a51 n GLY 23 N -1.57 5.32 3.56 -3.84 0.00 -1.26 -4.90 105.19 102.50 2a51 n GLY 23 Ca -0.12 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.10 2a51 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a51 h TRP 25 N 10.99 0.00 0.00 0.00 5.08 -1.89 0.24 115.95 130.37 2a51 h TRP 25 Ca 0.01 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.94 2a51 h TRP 25 Cb 1.04 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.19 2a51 h TRP 25 CO 1.20 0.35 -0.22 -2.95 -1.28 0.00 0.00 178.44 175.55 2a51 h ASN 26 N 0.00 0.00 0.67 0.11 -1.07 -1.91 -3.38 115.58 110.00 2a51 h ASN 26 Ca -0.00 -0.82 -0.05 0.00 0.07 0.00 0.00 56.30 55.50 2a51 h ASN 26 Cb 0.64 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.88 2a51 h ASN 26 CO 0.05 1.03 -1.37 0.00 0.07 0.00 0.00 177.43 177.21 2a51 n GLY 28 N 1.27 0.76 3.79 0.00 0.00 0.82 -5.07 105.19 106.76 2a51 n GLY 28 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 2a51 n GLY 28 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a51 s SER 29 N -2.39 7.25 0.01 1.61 0.15 -1.18 -4.91 113.70 114.25 2a51 s SER 29 Ca 0.00 1.71 0.22 0.00 0.70 0.00 0.00 55.95 58.59 2a51 s SER 29 Cb 0.00 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 2a51 s SER 29 CO 0.00 -0.04 1.00 0.29 1.20 0.00 0.00 173.24 175.68 2a51 n LYS 30 N 0.58 0.09 0.02 5.44 4.76 -1.26 -0.13 118.16 127.66 2a51 n LYS 30 Ca 0.01 -0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 2a51 n LYS 30 Cb 0.50 -1.52 -0.09 0.00 -1.84 0.00 0.00 35.03 32.08 2a51 n LYS 30 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2a51 h GLU 31 N 0.00 -0.08 0.00 1.97 5.08 -1.96 -3.42 114.58 116.17 2a51 h GLU 31 Ca 0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2a51 h GLU 31 Cb 0.57 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2a51 h GLU 31 CO 0.00 0.39 -0.00 -2.39 -1.00 0.00 0.00 179.01 176.01 2a51 n HIS 32 N -4.89 0.01 -4.56 4.33 1.44 -1.26 -5.02 115.22 105.26 2a51 n HIS 32 Ca -0.09 -0.02 -0.26 0.00 -2.01 0.00 0.00 57.72 55.35 2a51 n HIS 32 Cb 0.26 -0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.26 2a51 n HIS 32 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2a51 s ARG 33 N -2.01 1.85 0.19 -1.40 0.52 -1.26 0.05 118.95 116.88 2a51 s ARG 33 Ca 0.00 -2.03 -0.12 0.00 -0.52 0.00 0.00 55.73 53.06 2a51 s ARG 33 Cb 0.00 -1.42 0.12 0.00 0.52 0.00 0.00 34.95 34.17 2a51 s ARG 33 CO 0.00 -0.06 1.86 0.35 0.02 0.00 0.00 175.30 177.47 2a51 h PHE 34 N 1.91 0.83 -0.54 -0.53 3.57 -1.90 -1.06 116.94 119.22 2a51 h PHE 34 Ca -0.43 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.15 2a51 h PHE 34 Cb 1.24 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.65 2a51 h PHE 34 CO 0.69 0.53 0.24 0.00 -2.23 0.00 0.00 178.31 177.54 2a51 h ALA 35 N 1.24 0.69 -0.49 2.41 0.00 -1.97 -2.58 119.26 118.55 2a51 h ALA 35 Ca 0.24 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 2a51 h ALA 35 Cb -0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2a51 h ALA 35 CO -0.05 -0.14 0.01 1.96 0.00 0.00 0.00 179.25 181.03 2a51 h GLN 36 N 0.45 0.87 -6.93 0.00 4.20 -1.84 -3.45 115.11 108.41 2a51 h GLN 36 Ca 0.25 -0.27 -0.53 0.00 0.06 0.00 0.00 58.65 58.16 2a51 h GLN 36 Cb 0.23 -0.08 0.09 0.00 0.30 0.00 0.00 27.48 28.02 2a51 h GLN 36 CO -0.22 0.90 0.69 0.00 -0.67 0.00 0.00 178.83 179.54 2a51 h PRO 38 N 3.01 0.69 0.00 0.00 0.13 -1.87 -3.48 132.00 130.47 2a51 h PRO 38 Ca -0.50 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 2a51 h PRO 38 Cb 1.24 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2a51 h PRO 38 CO 0.64 0.80 0.00 0.36 -0.23 0.00 0.00 178.00 179.57