#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2occ s THR 2 N 0.00 2.93 0.16 9.51 -4.23 -1.26 -5.13 115.64 117.62 2occ s THR 2 Ca 0.00 -0.75 -0.04 0.00 -1.18 0.00 0.00 61.69 59.72 2occ s THR 2 Cb 0.00 -2.17 -0.03 0.00 1.34 0.00 0.00 72.50 71.64 2occ s THR 2 CO 0.00 0.56 0.16 0.00 -0.54 0.00 0.00 174.62 174.80 2occ s ALA 3 N -0.27 0.59 0.90 3.99 0.00 -1.26 -5.16 121.76 120.56 2occ s ALA 3 Ca 0.01 -1.30 -0.12 0.00 0.00 0.00 0.00 51.96 50.55 2occ s ALA 3 Cb -0.13 0.95 0.13 0.00 0.00 0.00 0.00 23.12 24.08 2occ s ALA 3 CO 0.03 -0.57 1.13 0.15 0.00 0.00 0.00 175.76 176.49 2occ s LYS 4 N -4.04 1.20 0.64 0.00 1.02 -1.26 -5.02 119.74 112.28 2occ s LYS 4 Ca 0.24 0.38 -0.13 0.00 0.02 0.00 0.00 55.97 56.48 2occ s LYS 4 Cb 0.06 -1.84 -0.02 0.00 -0.52 0.00 0.00 37.83 35.51 2occ s LYS 4 CO 0.03 -2.17 1.05 -2.14 -0.92 0.00 0.00 175.35 171.20 2occ s PRO 5 N -5.22 3.19 0.18 -1.68 0.02 -1.26 -4.94 135.00 125.30 2occ s PRO 5 Ca 0.63 1.06 -0.33 0.00 0.02 0.00 0.00 61.00 62.38 2occ s PRO 5 Cb -0.15 -2.02 -0.14 0.00 0.02 0.00 0.00 34.50 32.21 2occ s PRO 5 CO 0.54 -0.91 1.52 0.00 -0.33 0.00 0.00 177.00 177.83 2occ n ALA 6 N -2.53 1.24 0.04 -1.55 0.00 -1.26 -4.87 120.51 111.58 2occ n ALA 6 Ca 0.08 0.44 -0.06 0.00 0.00 0.00 0.00 53.44 53.89 2occ n ALA 6 Cb 0.53 -2.32 0.11 0.00 0.00 0.00 0.00 19.45 17.77 2occ n ALA 6 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2occ h LYS 7 N 5.40 0.40 -2.05 0.00 1.57 -2.05 -3.34 116.57 116.50 2occ h LYS 7 Ca -0.45 -0.24 -0.57 0.00 -1.87 0.00 0.00 60.65 57.52 2occ h LYS 7 Cb 1.26 0.02 -0.40 0.00 0.08 0.00 0.00 32.23 33.20 2occ h LYS 7 CO 0.85 0.82 -0.98 0.25 -0.57 0.00 0.00 179.45 179.82 2occ n THR 8 N -3.95 0.06 -1.58 -0.16 -2.24 -1.26 -5.12 114.28 100.03 2occ n THR 8 Ca -0.02 -4.31 -0.49 0.00 -2.27 0.00 0.00 64.05 56.95 2occ n THR 8 Cb 0.57 -1.98 -0.04 0.00 -2.10 0.00 0.00 70.33 66.78 2occ n THR 8 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2occ n PRO 9 N 1.26 1.15 -3.23 -0.78 -0.04 -1.26 -4.95 135.00 127.15 2occ n PRO 9 Ca 0.23 0.41 -0.45 0.00 -0.04 0.00 0.00 63.50 63.65 2occ n PRO 9 Cb 0.50 -1.92 -0.05 0.00 -0.04 0.00 0.00 33.50 31.98 2occ n PRO 9 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2occ s THR 10 N -0.12 5.04 0.95 0.52 2.01 -1.26 -5.06 115.64 117.71 2occ s THR 10 Ca 0.74 -1.14 -0.11 0.00 0.31 0.00 0.00 61.69 61.49 2occ s THR 10 Cb -0.86 -4.36 0.17 0.00 0.01 0.00 0.00 72.50 67.45 2occ s THR 10 CO 0.52 -0.91 1.10 -0.94 -0.69 0.00 0.00 174.62 173.70 2occ s SER 11 N 3.36 2.73 0.24 3.53 1.04 -1.26 -4.67 113.70 118.68 2occ s SER 11 Ca 0.08 1.87 -0.06 0.00 0.48 0.00 0.00 55.95 58.32 2occ s SER 11 Cb -0.26 -2.43 0.44 0.00 0.10 0.00 0.00 66.02 63.87 2occ s SER 11 CO 0.06 -3.16 1.68 -0.65 0.98 0.00 0.00 173.24 172.15 2occ h PRO 12 N -1.91 0.25 0.15 4.02 0.11 -1.99 -0.03 132.00 132.60 2occ h PRO 12 Ca -0.49 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.62 2occ h PRO 12 Cb 1.28 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 2occ h PRO 12 CO 0.47 0.16 -0.23 -0.22 -0.21 0.00 0.00 178.00 177.98 2occ h LYS 13 N 0.26 -0.42 -0.82 1.05 3.64 -1.99 0.56 116.57 118.84 2occ h LYS 13 Ca 0.41 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.90 2occ h LYS 13 Cb 0.69 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.53 2occ h LYS 13 CO -0.51 -0.28 0.48 0.93 -2.27 0.00 0.00 179.45 177.79 2occ h GLU 14 N -0.44 0.79 -0.35 1.90 5.08 -1.41 0.01 114.58 120.16 2occ h GLU 14 Ca 0.02 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2occ h GLU 14 Cb 0.44 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2occ h GLU 14 CO -0.11 0.52 0.18 1.96 -1.00 0.00 0.00 179.01 180.57 2occ h GLN 15 N 0.81 0.50 -0.94 2.33 4.20 -0.61 0.23 115.11 121.63 2occ h GLN 15 Ca 0.39 -0.07 0.08 0.00 0.06 0.00 0.00 58.65 59.12 2occ h GLN 15 Cb 0.33 -0.09 -0.07 0.00 0.30 0.00 0.00 27.48 27.95 2occ h GLN 15 CO -0.23 0.43 0.61 0.00 -0.67 0.00 0.00 178.83 178.97 2occ h ALA 16 N 1.04 1.53 -0.21 3.87 0.00 0.89 0.33 119.26 126.71 2occ h ALA 16 Ca 0.12 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 2occ h ALA 16 Cb 0.09 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.64 2occ h ALA 16 CO -0.02 0.30 -0.65 0.82 0.00 0.00 0.00 179.25 179.70 2occ h ILE 17 N 1.01 1.28 -0.58 0.00 2.04 -0.58 -2.06 117.51 118.62 2occ h ILE 17 Ca 0.42 -1.85 -0.01 0.00 1.00 0.00 0.00 64.86 64.43 2occ h ILE 17 Cb 0.30 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 2occ h ILE 17 CO -0.18 0.59 0.31 1.23 0.00 0.00 0.00 178.15 180.10 2occ h GLY 18 N 0.57 0.87 0.85 5.37 0.00 0.13 -0.75 103.07 110.12 2occ h GLY 18 Ca -0.02 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 2occ h GLY 18 CO 0.14 0.39 0.01 -2.00 0.00 0.00 0.00 176.54 175.08 2occ h LEU 19 N 0.78 0.41 -0.28 3.11 6.46 -0.46 -2.12 115.31 123.21 2occ h LEU 19 Ca 0.20 -0.29 0.04 0.00 -0.12 0.00 0.00 57.88 57.71 2occ h LEU 19 Cb 0.06 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 39.84 2occ h LEU 19 CO -0.03 0.60 0.07 0.28 -0.62 0.00 0.00 178.44 178.74 2occ h SER 20 N 0.20 0.04 -0.47 1.25 0.02 -1.09 -1.12 113.55 112.38 2occ h SER 20 Ca 0.07 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 2occ h SER 20 Cb 0.38 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 2occ h SER 20 CO 0.01 0.05 0.15 0.58 -1.14 0.00 0.00 176.83 176.49 2occ h VAL 21 N 0.18 1.21 0.59 2.27 2.07 -1.12 -1.65 116.25 119.80 2occ h VAL 21 Ca 0.13 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 2occ h VAL 21 Cb 0.13 0.65 0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2occ h VAL 21 CO -0.16 0.28 -0.28 0.74 0.02 0.00 0.00 177.57 178.16 2occ h THR 22 N 0.77 0.33 -0.58 2.57 2.02 -0.63 -1.36 112.91 116.03 2occ h THR 22 Ca 0.17 -0.27 0.08 0.00 0.77 0.00 0.00 66.41 67.16 2occ h THR 22 Cb 0.24 0.42 -0.07 0.00 -1.74 0.00 0.00 68.15 67.00 2occ h THR 22 CO -0.01 0.03 0.22 -0.26 0.37 0.00 0.00 175.52 175.88 2occ h PHE 23 N -0.99 0.38 -0.67 3.16 -1.00 -1.21 -2.33 116.94 114.29 2occ h PHE 23 Ca -0.08 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.74 2occ h PHE 23 Cb 0.66 -0.08 -0.04 0.00 3.61 0.00 0.00 35.95 40.10 2occ h PHE 23 CO -0.00 0.11 0.44 -0.07 -1.61 0.00 0.00 178.31 177.17 2occ h LEU 24 N 0.40 0.74 -2.51 1.54 4.07 -1.22 0.22 115.31 118.55 2occ h LEU 24 Ca 0.29 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.23 2occ h LEU 24 Cb 0.33 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 41.89 2occ h LEU 24 CO -0.28 0.53 -0.02 0.77 -1.08 0.00 0.00 178.44 178.36 2occ h SER 25 N 0.88 0.00 0.05 -0.43 4.64 -0.69 -0.88 113.55 117.12 2occ h SER 25 Ca 0.26 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.29 2occ h SER 25 Cb -0.05 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 2occ h SER 25 CO -0.08 0.02 -1.55 -0.26 -0.87 0.00 0.00 176.83 174.10 2occ h PHE 26 N 0.00 0.19 0.08 4.77 -1.00 -0.93 -3.42 116.94 116.63 2occ h PHE 26 Ca -0.00 -0.14 -0.27 0.00 2.81 0.00 0.00 57.97 60.37 2occ h PHE 26 Cb 0.13 -0.01 0.01 0.00 3.61 0.00 0.00 35.95 39.69 2occ h PHE 26 CO 0.00 1.61 -1.14 -0.07 -1.61 0.00 0.00 178.31 177.10 2occ h LEU 27 N -0.59 0.64 0.64 1.54 3.38 -0.25 -3.35 115.31 117.32 2occ h LEU 27 Ca -0.38 -0.58 -0.03 0.00 0.09 0.00 0.00 57.88 56.98 2occ h LEU 27 Cb 1.59 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 42.15 2occ h LEU 27 CO -0.09 1.40 -0.31 -0.07 0.09 0.00 0.00 178.44 179.46 2occ h LEU 28 N 0.21 -0.73 -0.77 1.67 3.38 -1.41 -1.21 115.31 116.45 2occ h LEU 28 Ca -0.14 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 57.92 2occ h LEU 28 Cb 1.81 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 42.67 2occ h LEU 28 CO 0.20 -0.45 0.42 -0.65 0.09 0.00 0.00 178.44 178.05 2occ h PRO 29 N -0.96 0.68 -0.50 1.13 0.11 -1.79 -0.95 132.00 129.72 2occ h PRO 29 Ca -0.09 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.86 2occ h PRO 29 Cb 0.69 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 2occ h PRO 29 CO 0.14 0.45 -0.15 0.00 -0.21 0.00 0.00 178.00 178.24 2occ h ALA 30 N 1.45 0.70 -0.77 -0.75 0.00 -1.69 -2.73 119.26 115.46 2occ h ALA 30 Ca 0.38 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2occ h ALA 30 Cb 0.37 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2occ h ALA 30 CO -0.26 0.64 0.47 0.78 0.00 0.00 0.00 179.25 180.87 2occ h GLY 31 N 0.85 1.11 0.71 0.00 0.00 -0.53 -0.16 103.07 105.05 2occ h GLY 31 Ca 0.12 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2occ h GLY 31 CO 0.05 0.44 -0.27 -0.25 0.00 0.00 0.00 176.54 176.52 2occ h TRP 32 N 1.05 -0.72 -0.24 5.60 7.01 -1.03 0.46 115.95 128.08 2occ h TRP 32 Ca 0.28 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.29 2occ h TRP 32 Cb -0.05 0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.27 2occ h TRP 32 CO -0.01 -0.39 0.14 0.28 -2.79 0.00 0.00 178.44 175.66 2occ h VAL 33 N -0.58 1.03 -0.33 2.65 2.07 -1.30 -2.35 116.25 117.45 2occ h VAL 33 Ca -0.01 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 2occ h VAL 33 Cb 0.53 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2occ h VAL 33 CO -0.05 0.05 -0.02 -0.07 0.02 0.00 0.00 177.57 177.51 2occ h LEU 34 N 0.28 0.48 -0.67 2.57 3.38 -0.73 -2.35 115.31 118.28 2occ h LEU 34 Ca 0.09 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2occ h LEU 34 Cb -0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2occ h LEU 34 CO -0.04 0.56 0.23 0.22 0.09 0.00 0.00 178.44 179.50 2occ h TYR 35 N 0.49 1.06 -0.39 1.13 3.20 0.22 -2.62 116.97 120.07 2occ h TYR 35 Ca 0.10 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2occ h TYR 35 Cb 0.34 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 2occ h TYR 35 CO 0.01 0.85 0.01 0.72 -1.64 0.00 0.00 178.16 178.11 2occ n HIS 36 N -4.35 1.40 0.26 -3.82 8.25 -0.91 -4.60 115.22 111.45 2occ n HIS 36 Ca 0.05 -0.50 -0.16 0.00 -0.26 0.00 0.00 57.72 56.85 2occ n HIS 36 Cb 0.20 -0.38 -0.09 0.00 1.12 0.00 0.00 29.99 30.84 2occ n HIS 36 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2occ h LEU 37 N 2.62 -1.22 -1.67 2.41 3.38 -1.03 -1.73 115.31 118.07 2occ h LEU 37 Ca 0.01 0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.21 2occ h LEU 37 Cb 1.50 0.40 -0.04 0.00 0.09 0.00 0.00 40.66 42.61 2occ h LEU 37 CO 0.34 -0.59 0.46 -2.24 0.09 0.00 0.00 178.44 176.50 2occ h ASP 38 N -0.89 0.31 0.27 -0.43 3.04 -1.83 0.49 116.42 117.39 2occ h ASP 38 Ca -0.06 0.01 -0.01 0.00 -3.24 0.00 0.00 57.03 53.73 2occ h ASP 38 Cb 0.77 -0.05 -0.00 0.00 -1.04 0.00 0.00 39.33 39.01 2occ h ASP 38 CO -0.06 0.17 -0.07 -1.13 -2.04 0.00 0.00 179.24 176.12 2occ h ASN 39 N 0.34 0.00 0.11 4.15 -1.24 -1.63 -2.43 115.58 114.88 2occ h ASN 39 Ca 0.33 0.00 -0.37 0.00 0.71 0.00 0.00 56.30 56.97 2occ h ASN 39 Cb 0.81 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.82 2occ h ASN 39 CO -0.09 0.07 -2.17 -1.22 -1.29 0.00 0.00 177.43 172.73 2occ n TYR 40 N -3.59 0.66 0.14 0.67 4.01 0.08 -4.44 117.16 114.69 2occ n TYR 40 Ca -0.02 0.16 0.05 0.00 -0.16 0.00 0.00 57.90 57.93 2occ n TYR 40 Cb 0.18 -1.09 0.50 0.00 -0.31 0.00 0.00 39.34 38.62 2occ n TYR 40 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2occ h LYS 41 N 0.03 0.23 0.00 -0.72 1.57 -1.01 -2.00 116.57 114.67 2occ h LYS 41 Ca -0.47 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2occ h LYS 41 Cb 2.01 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.27 2occ h LYS 41 CO 0.02 0.22 0.00 1.63 -0.57 0.00 0.00 179.45 180.75 2occ n LYS 42 N -4.43 0.90 -0.89 3.15 4.76 -0.94 -5.10 118.16 115.61 2occ n LYS 42 Ca -0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2occ n LYS 42 Cb 0.14 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 2occ n LYS 42 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46