#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a2b s ARG 2 N 0.00 4.00 0.00 0.00 3.00 -1.26 -4.78 118.95 119.90 2a2b s ARG 2 Ca 0.00 2.03 0.00 0.00 0.00 0.00 0.00 55.73 57.76 2a2b s ARG 2 Cb 0.00 -2.73 0.00 0.00 0.00 0.00 0.00 34.95 32.22 2a2b s ARG 2 CO 0.00 -0.43 0.00 0.45 0.00 0.00 0.00 175.30 175.32 2a2b n SER 3 N 0.11 0.00 -4.12 0.23 2.88 -1.26 -4.89 113.62 106.58 2a2b n SER 3 Ca 0.04 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.29 2a2b n SER 3 Cb 0.45 0.14 -0.09 0.00 -0.75 0.00 0.00 64.21 63.96 2a2b n SER 3 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2a2b n TYR 4 N -1.64 -1.11 0.00 0.66 4.01 -1.26 -3.82 117.16 114.00 2a2b n TYR 4 Ca 0.00 0.55 0.00 0.00 -0.16 0.00 0.00 57.90 58.29 2a2b n TYR 4 Cb 0.00 -2.39 0.00 0.00 -0.31 0.00 0.00 39.34 36.64 2a2b n TYR 4 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2a2b n GLY 5 N -2.26 1.83 2.63 2.72 0.00 -1.26 -4.52 105.19 104.33 2a2b n GLY 5 Ca -0.25 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 2a2b n GLY 5 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2a2b s ASN 6 N -4.00 2.84 0.00 1.61 -0.87 -1.25 -4.99 114.94 108.28 2a2b s ASN 6 Ca 0.00 -0.87 0.00 0.00 -1.57 0.00 0.00 52.86 50.42 2a2b s ASN 6 Cb 0.00 -0.38 0.00 0.00 -0.02 0.00 0.00 41.25 40.85 2a2b s ASN 6 CO 0.00 -0.36 0.00 0.61 -2.57 0.00 0.00 177.10 174.78 2a2b n GLY 7 N 5.19 1.71 0.00 0.66 0.00 -1.22 -4.38 105.19 107.15 2a2b n GLY 7 Ca -0.07 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2a2b n GLY 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2a2b n VAL 8 N 0.00 0.00 -0.47 1.61 3.14 -1.26 -4.94 118.33 116.41 2a2b n VAL 8 Ca 0.00 0.00 0.39 0.00 -2.96 0.00 0.00 64.34 61.77 2a2b n VAL 8 Cb 0.00 0.00 0.70 0.00 -1.06 0.00 0.00 33.84 33.48 2a2b n VAL 8 CO 0.00 0.00 0.00 0.10 -6.46 0.00 0.00 176.83 170.47 2a2b h TYR 9 N 0.00 0.28 -2.37 1.45 -0.00 -1.90 -3.47 116.97 110.96 2a2b h TYR 9 Ca 0.00 0.01 0.24 0.00 -0.00 0.00 0.00 58.73 58.98 2a2b h TYR 9 Cb 0.00 -0.07 -0.13 0.00 -0.00 0.00 0.00 36.73 36.53 2a2b h TYR 9 CO 0.00 -0.07 -0.85 0.00 -0.00 0.00 0.00 178.16 177.24 2a2b h ASN 11 N -0.96 0.00 0.00 0.00 -1.24 -1.77 -3.49 115.58 108.12 2a2b h ASN 11 Ca -0.13 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.88 2a2b h ASN 11 Cb 0.94 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.99 2a2b h ASN 11 CO 0.05 0.12 0.00 0.59 -1.29 0.00 0.00 177.43 176.90 2a2b n ASN 12 N -2.63 -1.06 -0.11 1.15 3.02 -1.26 -4.99 115.26 109.37 2a2b n ASN 12 Ca -0.01 0.24 -0.25 0.00 -0.03 0.00 0.00 54.58 54.53 2a2b n ASN 12 Cb 0.03 1.33 -0.11 0.00 -0.61 0.00 0.00 39.78 40.42 2a2b n ASN 12 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2a2b n LYS 13 N -2.76 0.59 0.00 3.52 0.00 -1.26 -4.97 118.16 113.28 2a2b n LYS 13 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 58.31 58.74 2a2b n LYS 13 Cb 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 35.03 33.38 2a2b n LYS 13 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2a2b n LYS 14 N -4.27 3.60 0.07 1.64 5.02 -1.26 -5.07 118.16 117.89 2a2b n LYS 14 Ca -0.41 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.88 2a2b n LYS 14 Cb 0.79 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.80 2a2b n LYS 14 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2a2b n TRP 16 N -2.81 -4.18 -0.04 0.00 2.14 -1.26 -4.39 117.44 106.90 2a2b n TRP 16 Ca 0.00 2.31 -0.08 0.00 2.07 0.00 0.00 57.50 61.80 2a2b n TRP 16 Cb 0.00 -3.41 -0.04 0.00 -0.81 0.00 0.00 31.31 27.06 2a2b n TRP 16 CO 0.00 0.00 0.00 1.55 2.07 0.00 0.00 177.69 181.31 2a2b n VAL 17 N 0.84 0.49 -3.61 -1.67 3.14 -1.26 -3.45 118.33 112.81 2a2b n VAL 17 Ca 0.00 -0.15 -0.39 0.00 -2.96 0.00 0.00 64.34 60.84 2a2b n VAL 17 Cb 0.00 -1.24 -0.11 0.00 -1.06 0.00 0.00 33.84 31.43 2a2b n VAL 17 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2a2b s ASN 18 N -5.35 5.74 -0.22 6.55 3.84 -1.26 -4.12 114.94 120.12 2a2b s ASN 18 Ca -0.12 -0.45 -0.16 0.00 0.21 0.00 0.00 52.86 52.34 2a2b s ASN 18 Cb 0.04 -2.05 -0.09 0.00 -0.55 0.00 0.00 41.25 38.60 2a2b s ASN 18 CO 0.18 -0.20 -0.30 0.54 -2.79 0.00 0.00 177.10 174.53 2a2b n ARG 19 N 5.03 0.55 0.00 0.43 1.74 -1.26 -5.13 116.66 118.01 2a2b n ARG 19 Ca -0.13 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2a2b n ARG 19 Cb 0.50 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 2a2b n ARG 19 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2a2b n GLY 20 N 1.39 -1.13 0.10 -0.13 0.00 -1.26 -4.22 105.19 99.94 2a2b n GLY 20 Ca -0.30 -1.49 0.10 0.00 0.00 0.00 0.00 46.02 44.32 2a2b n GLY 20 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2a2b n GLU 21 N -0.48 0.13 0.12 1.61 0.00 -1.26 -2.09 120.64 118.66 2a2b n GLU 21 Ca 0.00 0.46 -0.14 0.00 0.00 0.00 0.00 57.16 57.48 2a2b n GLU 21 Cb 0.00 -1.79 -0.08 0.00 0.00 0.00 0.00 31.44 29.57 2a2b n GLU 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2a2b h ALA 22 N 2.21 -0.25 0.02 -1.84 0.00 -1.81 -1.07 119.26 116.52 2a2b h ALA 22 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2a2b h ALA 22 Cb 0.21 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2a2b h ALA 22 CO 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 179.25 178.64 2a2b h THR 23 N -0.33 1.32 -0.89 0.00 1.03 -1.66 -3.33 112.91 109.05 2a2b h THR 23 Ca -0.03 -1.84 0.13 0.00 -0.01 0.00 0.00 66.41 64.67 2a2b h THR 23 Cb 0.26 2.43 -0.14 0.00 -1.07 0.00 0.00 68.15 69.62 2a2b h THR 23 CO 0.04 0.42 -0.40 1.56 -0.01 0.00 0.00 175.52 177.13 2a2b h GLN 24 N -0.94 -0.05 -3.84 0.00 4.20 -1.49 -3.38 115.11 109.61 2a2b h GLN 24 Ca -0.00 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.34 2a2b h GLN 24 Cb 0.72 0.01 -0.34 0.00 0.30 0.00 0.00 27.48 28.17 2a2b h GLN 24 CO 0.01 -0.03 -0.76 -1.12 -0.67 0.00 0.00 178.83 176.26 2a2b s SER 25 N -5.32 0.59 0.09 1.46 0.01 -0.40 -5.03 113.70 105.09 2a2b s SER 25 Ca -0.14 -0.06 -0.16 0.00 1.31 0.00 0.00 55.95 56.90 2a2b s SER 25 Cb 0.18 -0.30 -0.10 0.00 0.21 0.00 0.00 66.02 66.01 2a2b s SER 25 CO 0.70 -0.08 1.39 0.16 0.41 0.00 0.00 173.24 175.82 2a2b h ILE 26 N 6.19 1.31 -0.77 1.44 -0.00 -1.76 -2.87 117.51 121.05 2a2b h ILE 26 Ca -0.41 -1.47 0.10 0.00 -0.00 0.00 0.00 64.86 63.08 2a2b h ILE 26 Cb 1.14 1.67 -0.05 0.00 -0.00 0.00 0.00 36.82 39.58 2a2b h ILE 26 CO 0.48 0.46 0.50 0.16 -0.00 0.00 0.00 178.15 179.75 2a2b h ILE 27 N 0.36 0.92 -1.84 0.16 3.07 -1.89 -3.48 117.51 114.81 2a2b h ILE 27 Ca 0.04 -0.22 0.00 0.00 1.55 0.00 0.00 64.86 66.22 2a2b h ILE 27 Cb 0.86 0.21 0.00 0.00 -0.27 0.00 0.00 36.82 37.62 2a2b h ILE 27 CO 0.07 0.12 0.00 0.61 -1.05 0.00 0.00 178.15 177.90 2a2b n GLY 28 N -1.46 -1.74 0.08 0.16 0.00 -1.08 -4.77 105.19 96.38 2a2b n GLY 28 Ca 0.13 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 2a2b n GLY 28 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2a2b h GLY 29 N 0.00 -0.06 0.62 -0.02 0.00 -1.81 -2.31 103.07 99.49 2a2b h GLY 29 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.38 2a2b h GLY 29 CO 0.00 -0.02 -0.14 -0.33 0.00 0.00 0.00 176.54 176.05 2a2b h MET 30 N -0.76 -0.22 0.06 4.80 2.86 -1.95 -2.50 114.93 117.22 2a2b h MET 30 Ca -0.01 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 2a2b h MET 30 Cb 0.65 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.32 2a2b h MET 30 CO 0.01 -0.14 -0.27 0.97 1.06 0.00 0.00 176.91 178.53 2a2b h ILE 31 N -0.22 0.40 -1.39 -1.22 2.10 -1.93 0.24 117.51 115.48 2a2b h ILE 31 Ca 0.06 0.00 0.45 0.00 1.08 0.00 0.00 64.86 66.45 2a2b h ILE 31 Cb 0.30 0.40 -0.12 0.00 -1.09 0.00 0.00 36.82 36.30 2a2b h ILE 31 CO -0.15 0.00 0.91 -1.28 -1.08 0.00 0.00 178.15 176.55 2a2b h SER 32 N -0.45 0.21 -0.11 2.19 0.87 -1.07 1.49 113.55 116.67 2a2b h SER 32 Ca 0.05 0.12 -0.17 0.00 -1.23 0.00 0.00 61.79 60.56 2a2b h SER 32 Cb 0.51 0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.59 2a2b h SER 32 CO -0.19 -0.17 -0.61 1.23 -0.53 0.00 0.00 176.83 176.56 2a2b h GLY 33 N 0.06 0.66 0.89 5.77 0.00 -0.55 0.67 103.07 110.57 2a2b h GLY 33 Ca 0.84 -0.95 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 2a2b h GLY 33 CO -0.38 0.85 -0.28 -0.25 0.00 0.00 0.00 176.54 176.48 2a2b h TRP 34 N 0.24 -0.72 -0.74 5.60 7.01 0.28 0.58 115.95 128.19 2a2b h TRP 34 Ca -0.05 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.95 2a2b h TRP 34 Cb 1.25 0.26 -0.04 0.00 -2.10 0.00 0.00 29.16 28.53 2a2b h TRP 34 CO 0.11 -0.43 0.46 0.00 -2.79 0.00 0.00 178.44 175.80 2a2b h ALA 35 N -0.20 1.42 -0.31 2.65 0.00 -0.88 -0.43 119.26 121.51 2a2b h ALA 35 Ca -0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2a2b h ALA 35 Cb 0.57 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2a2b h ALA 35 CO 0.06 0.52 -0.01 0.77 0.00 0.00 0.00 179.25 180.58 2a2b h SER 36 N 1.02 0.45 0.29 0.00 0.02 -0.14 1.13 113.55 116.31 2a2b h SER 36 Ca 0.27 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 2a2b h SER 36 Cb -0.07 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.36 2a2b h SER 36 CO -0.05 0.52 -0.14 1.23 -1.14 0.00 0.00 176.83 177.25 2a2b h GLY 37 N 0.80 -0.41 0.72 -3.77 0.00 0.17 1.09 103.07 101.67 2a2b h GLY 37 Ca 0.10 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.58 2a2b h GLY 37 CO 0.01 -0.15 -0.02 0.17 0.00 0.00 0.00 176.54 176.55 2a2b h LEU 38 N -0.91 -0.04 -1.44 3.11 8.10 -1.10 -2.70 115.31 120.32 2a2b h LEU 38 Ca -0.04 -0.27 -0.06 0.00 0.11 0.00 0.00 57.88 57.62 2a2b h LEU 38 Cb 0.51 0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.73 2a2b h LEU 38 CO 0.07 0.25 -0.28 0.00 -4.11 0.00 0.00 178.44 174.36 2a2b h ALA 39 N 0.62 1.42 -1.15 0.17 0.00 0.12 -2.84 119.26 117.60 2a2b h ALA 39 Ca -0.00 -0.26 0.41 0.00 0.00 0.00 0.00 54.91 55.06 2a2b h ALA 39 Cb 0.30 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 17.90 2a2b h ALA 39 CO 0.01 0.35 0.69 0.78 0.00 0.00 0.00 179.25 181.08 2a2b h GLY 40 N 1.00 1.81 0.00 0.00 0.00 0.16 -3.49 103.07 102.55 2a2b h GLY 40 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2a2b h GLY 40 CO 0.04 -0.58 0.00 1.15 0.00 0.00 0.00 176.54 177.15