#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0h s GLU 2 N 0.00 3.22 0.43 0.03 2.12 -1.26 -5.00 118.70 118.24 3a0h s GLU 2 Ca 0.00 -0.60 0.03 0.00 0.36 0.00 0.00 54.97 54.77 3a0h s GLU 2 Cb 0.00 -4.10 -0.04 0.00 0.26 0.00 0.00 34.13 30.25 3a0h s GLU 2 CO 0.00 -1.44 0.05 0.14 -0.54 0.00 0.00 175.26 173.47 3a0h s VAL 3 N 3.45 1.15 0.66 3.70 -7.23 -1.26 -5.12 120.40 115.75 3a0h s VAL 3 Ca 0.23 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.23 3a0h s VAL 3 Cb -0.16 -2.48 -0.00 0.00 0.56 0.00 0.00 36.38 34.30 3a0h s VAL 3 CO 0.15 0.00 1.21 0.21 -0.31 0.00 0.00 175.10 176.35 3a0h s ASN 4 N -3.70 4.75 0.15 4.85 3.84 -1.26 -4.96 114.94 118.61 3a0h s ASN 4 Ca 0.22 2.36 0.10 0.00 0.21 0.00 0.00 52.86 55.74 3a0h s ASN 4 Cb 0.05 -2.59 -0.14 0.00 -0.55 0.00 0.00 41.25 38.02 3a0h s ASN 4 CO 0.11 -1.89 1.28 -0.61 -2.79 0.00 0.00 177.10 173.20 3a0h h GLN 5 N 0.31 0.00 -0.07 0.43 5.75 -2.03 -3.28 115.11 116.23 3a0h h GLN 5 Ca -0.49 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 3a0h h GLN 5 Cb 1.30 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.85 3a0h h GLN 5 CO 0.53 0.82 0.00 1.28 -2.65 0.00 0.00 178.83 178.81 3a0h n LEU 6 N -3.29 1.27 -0.33 -2.39 4.77 -1.26 -4.35 117.00 111.42 3a0h n LEU 6 Ca -0.01 -0.47 0.04 0.00 -0.03 0.00 0.00 56.01 55.54 3a0h n LEU 6 Cb 0.89 -0.04 0.10 0.00 -2.33 0.00 0.00 43.42 42.04 3a0h n LEU 6 CO 0.45 0.24 0.57 0.61 -1.33 0.00 0.00 177.39 177.92 3a0h n GLY 7 N 1.11 -1.59 0.23 -0.72 0.00 -1.24 0.19 105.19 103.17 3a0h n GLY 7 Ca 0.18 0.96 -0.09 0.00 0.00 0.00 0.00 46.02 47.08 3a0h n GLY 7 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3a0h h PHE 8 N 0.00 -0.52 -0.04 1.61 0.04 -1.89 -0.77 116.94 115.38 3a0h h PHE 8 Ca 0.39 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 61.16 3a0h h PHE 8 Cb 0.61 0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.93 3a0h h PHE 8 CO -0.71 -0.32 0.05 0.82 -0.60 0.00 0.00 178.31 177.55 3a0h h ILE 9 N -0.73 0.45 0.00 -0.55 5.03 -1.64 0.55 117.51 120.61 3a0h h ILE 9 Ca -0.06 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.68 3a0h h ILE 9 Cb 0.43 0.96 0.00 0.00 -3.03 0.00 0.00 36.82 35.18 3a0h h ILE 9 CO 0.09 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.56 3a0h n ALA 10 N -2.29 -0.00 -0.24 1.87 0.00 0.51 -2.67 120.51 117.69 3a0h n ALA 10 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.38 3a0h n ALA 10 Cb 0.14 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.60 3a0h n ALA 10 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3a0h h THR 11 N 0.00 0.14 0.03 0.00 2.02 -1.11 -1.26 112.91 112.73 3a0h h THR 11 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3a0h h THR 11 Cb 0.00 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.55 3a0h h THR 11 CO 0.00 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 175.84 3a0h h ALA 12 N 1.08 -0.69 -1.13 6.16 0.00 -0.02 -1.90 119.26 122.76 3a0h h ALA 12 Ca 0.26 -0.01 0.33 0.00 0.00 0.00 0.00 54.91 55.48 3a0h h ALA 12 Cb 0.56 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 3a0h h ALA 12 CO -0.74 -0.70 0.81 -0.07 0.00 0.00 0.00 179.25 178.55 3a0h h LEU 13 N -0.09 0.04 -1.53 0.00 -0.00 -1.38 1.06 115.31 113.41 3a0h h LEU 13 Ca -0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.87 3a0h h LEU 13 Cb 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.73 3a0h h LEU 13 CO -0.02 0.01 0.10 0.15 -0.00 0.00 0.00 178.44 178.68 3a0h h PHE 14 N 0.03 0.41 0.00 1.13 3.57 -0.43 -0.99 116.94 120.66 3a0h h PHE 14 Ca 0.55 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.04 3a0h h PHE 14 Cb 2.13 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.74 3a0h h PHE 14 CO -0.00 0.34 -0.02 0.28 -2.23 0.00 0.00 178.31 176.68 3a0h h VAL 15 N 0.41 0.00 0.00 1.41 2.07 0.16 -3.39 116.25 116.91 3a0h h VAL 15 Ca 0.10 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 3a0h h VAL 15 Cb 0.11 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.88 3a0h h VAL 15 CO -0.01 0.00 -0.13 -0.07 0.02 0.00 0.00 177.57 177.38 3a0h h LEU 16 N -0.87 0.00 0.02 2.57 3.38 -1.37 -2.30 115.31 116.75 3a0h h LEU 16 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3a0h h LEU 16 Cb 0.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.78 3a0h h LEU 16 CO 0.00 0.13 -0.50 0.58 0.09 0.00 0.00 178.44 178.74 3a0h h VAL 17 N 0.00 1.50 0.21 1.22 2.07 -1.39 -1.97 116.25 117.89 3a0h h VAL 17 Ca -0.00 -2.13 -0.33 0.00 0.82 0.00 0.00 66.70 65.06 3a0h h VAL 17 Cb 0.33 2.79 0.04 0.00 -1.52 0.00 0.00 31.29 32.93 3a0h h VAL 17 CO 0.02 0.60 -1.40 1.55 0.02 0.00 0.00 177.57 178.36 3a0h h PRO 18 N -0.32 0.58 -0.05 1.57 0.13 -1.75 -3.11 132.00 129.06 3a0h h PRO 18 Ca -0.07 -0.90 0.03 0.00 -0.87 0.00 0.00 66.00 64.18 3a0h h PRO 18 Cb 1.26 0.32 -0.03 0.00 0.13 0.00 0.00 31.00 32.68 3a0h h PRO 18 CO 0.10 1.43 -0.14 1.03 -0.23 0.00 0.00 178.00 180.19 3a0h h SER 19 N 0.20 -0.41 -0.74 1.44 0.87 -1.54 0.37 113.55 113.74 3a0h h SER 19 Ca -0.23 0.07 0.19 0.00 -1.23 0.00 0.00 61.79 60.58 3a0h h SER 19 Cb 2.09 0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 64.19 3a0h h SER 19 CO 0.27 -0.19 0.51 0.58 -0.53 0.00 0.00 176.83 177.47 3a0h h VAL 20 N -0.21 0.70 0.50 2.23 2.07 -1.41 0.42 116.25 120.55 3a0h h VAL 20 Ca 0.06 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3a0h h VAL 20 Cb 0.29 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3a0h h VAL 20 CO -0.17 0.03 -0.24 0.15 0.02 0.00 0.00 177.57 177.37 3a0h h PHE 21 N 0.18 -0.62 -0.71 1.57 3.57 -0.87 -0.34 116.94 119.73 3a0h h PHE 21 Ca 0.36 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 62.00 3a0h h PHE 21 Cb 1.16 0.20 -0.12 0.00 2.79 0.00 0.00 35.95 39.98 3a0h h PHE 21 CO -0.00 -0.38 -0.00 -0.07 -2.23 0.00 0.00 178.31 175.62 3a0h h LEU 22 N -0.72 -0.33 -0.41 0.59 3.38 -0.65 0.83 115.31 118.01 3a0h h LEU 22 Ca -0.07 0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.17 3a0h h LEU 22 Cb 0.51 0.32 -0.09 0.00 0.09 0.00 0.00 40.66 41.49 3a0h h LEU 22 CO 0.11 -0.16 -0.27 0.40 0.09 0.00 0.00 178.44 178.61 3a0h h ILE 23 N 0.11 0.30 0.19 1.22 1.08 -0.78 -1.14 117.51 118.49 3a0h h ILE 23 Ca 0.38 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.85 3a0h h ILE 23 Cb 0.64 0.30 -0.03 0.00 -3.07 0.00 0.00 36.82 34.67 3a0h h ILE 23 CO -0.62 0.00 -0.38 0.40 -0.69 0.00 0.00 178.15 176.86 3a0h h ILE 24 N -0.20 0.00 -0.20 -0.67 2.04 0.92 -2.17 117.51 117.24 3a0h h ILE 24 Ca 0.19 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.11 3a0h h ILE 24 Cb 0.50 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 3a0h h ILE 24 CO -0.52 0.00 0.46 -0.07 0.00 0.00 0.00 178.15 178.02 3a0h h LEU 25 N -0.61 0.00 0.00 1.44 3.38 -0.74 0.17 115.31 118.95 3a0h h LEU 25 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3a0h h LEU 25 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3a0h h LEU 25 CO -0.15 0.00 -0.12 0.22 0.09 0.00 0.00 178.44 178.48 3a0h h TYR 26 N 0.00 0.00 0.00 1.13 3.20 -0.62 -3.20 116.97 117.48 3a0h h TYR 26 Ca 0.09 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3a0h h TYR 26 Cb 1.02 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.29 3a0h h TYR 26 CO 0.00 0.00 0.00 0.28 -1.64 0.00 0.00 178.16 176.80 3a0h n VAL 27 N -4.27 1.49 0.07 1.81 0.31 -0.91 0.48 118.33 117.31 3a0h n VAL 27 Ca -0.02 0.43 -0.06 0.00 -0.01 0.00 0.00 64.34 64.68 3a0h n VAL 27 Cb 0.06 -1.34 -0.10 0.00 -0.91 0.00 0.00 33.84 31.55 3a0h n VAL 27 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 3a0h h GLN 28 N 0.00 0.00 0.09 5.55 -0.00 -0.79 -3.22 115.11 116.74 3a0h h GLN 28 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 58.65 58.29 3a0h h GLN 28 Cb 0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.56 3a0h h GLN 28 CO 0.00 0.90 -1.99 2.41 -0.00 0.00 0.00 178.83 180.14 3a0h n THR 29 N -3.31 1.71 0.58 1.86 -1.04 0.18 -3.96 114.28 110.30 3a0h n THR 29 Ca -0.01 -0.56 0.04 0.00 -2.04 0.00 0.00 64.05 61.48 3a0h n THR 29 Cb 0.92 -1.73 0.25 0.00 -1.82 0.00 0.00 70.33 67.95 3a0h n THR 29 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3a0h n GLU 30 N -3.59 0.29 -0.39 -2.82 4.07 0.16 -1.26 120.64 117.11 3a0h n GLU 30 Ca -0.35 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 56.83 3a0h n GLU 30 Cb 0.99 -1.46 0.24 0.00 -0.06 0.00 0.00 31.44 31.15 3a0h n GLU 30 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3a0h n SER 31 N -0.96 3.72 -0.08 4.31 3.41 -1.21 -4.26 113.62 118.55 3a0h n SER 31 Ca 0.06 -2.56 -0.08 0.00 -0.26 0.00 0.00 58.87 56.03 3a0h n SER 31 Cb 0.03 -0.44 0.08 0.00 -0.26 0.00 0.00 64.21 63.62 3a0h n SER 31 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3a0h h GLN 32 N 2.28 0.76 -0.03 4.33 1.08 -1.37 -1.93 115.11 120.22 3a0h h GLN 32 Ca 0.00 -0.33 0.00 0.00 -1.45 0.00 0.00 58.65 56.87 3a0h h GLN 32 Cb 1.20 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 3a0h h GLN 32 CO 0.15 0.95 0.00 1.04 -0.95 0.00 0.00 178.83 180.02 3a0h n GLN 33 N -4.09 1.24 0.00 1.46 3.00 -1.26 -4.87 117.38 112.86 3a0h n GLN 33 Ca -0.01 -0.35 0.00 0.00 -0.01 0.00 0.00 57.00 56.63 3a0h n GLN 33 Cb 0.47 -1.42 0.00 0.00 0.00 0.00 0.00 30.24 29.29 3a0h n GLN 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 3a0h n LYS 34 N -0.51 0.00 -2.06 -1.09 3.00 -0.72 -4.99 118.16 111.79 3a0h n LYS 34 Ca 0.19 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 58.16 3a0h n LYS 34 Cb 0.18 -1.65 0.01 0.00 0.00 0.00 0.00 35.03 33.57 3a0h n LYS 34 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3a0h s SER 35 N -3.55 5.64 0.00 3.14 1.04 -1.26 -4.94 113.70 113.77 3a0h s SER 35 Ca 0.00 1.95 0.00 0.00 0.48 0.00 0.00 55.95 58.38 3a0h s SER 35 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 3a0h s SER 35 CO 0.00 -1.27 0.00 -1.20 0.98 0.00 0.00 173.24 171.75