#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocr s THR 2 N 0.00 3.03 0.07 9.51 -4.23 -1.26 -5.15 115.64 117.62 1ocr s THR 2 Ca 0.00 -1.25 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 1ocr s THR 2 Cb 0.00 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.45 1ocr s THR 2 CO 0.00 0.23 -0.05 0.00 -0.54 0.00 0.00 174.62 174.26 1ocr s ALA 3 N -1.06 0.75 0.92 3.99 0.00 -1.26 -5.14 121.76 119.96 1ocr s ALA 3 Ca 0.17 -1.27 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 1ocr s ALA 3 Cb -0.11 0.21 0.14 0.00 0.00 0.00 0.00 23.12 23.36 1ocr s ALA 3 CO 0.09 -0.29 1.11 0.15 0.00 0.00 0.00 175.76 176.82 1ocr s LYS 4 N -3.80 1.09 0.69 0.00 1.02 -1.26 -5.00 119.74 112.48 1ocr s LYS 4 Ca 0.09 0.47 -0.11 0.00 0.02 0.00 0.00 55.97 56.44 1ocr s LYS 4 Cb 0.06 -1.82 0.00 0.00 -0.52 0.00 0.00 37.83 35.55 1ocr s LYS 4 CO -0.07 -2.27 1.06 -2.14 -0.92 0.00 0.00 175.35 171.01 1ocr s PRO 5 N -5.13 3.00 0.19 -1.68 0.02 -1.26 -4.92 135.00 125.22 1ocr s PRO 5 Ca 0.64 0.94 -0.33 0.00 0.02 0.00 0.00 61.00 62.27 1ocr s PRO 5 Cb -0.16 -2.00 -0.14 0.00 0.02 0.00 0.00 34.50 32.22 1ocr s PRO 5 CO 0.55 -1.05 1.40 0.00 -0.33 0.00 0.00 177.00 177.57 1ocr n ALA 6 N -3.08 0.57 0.06 -1.55 0.00 -1.26 -4.87 120.51 110.38 1ocr n ALA 6 Ca 0.07 0.44 -0.08 0.00 0.00 0.00 0.00 53.44 53.87 1ocr n ALA 6 Cb 0.54 -2.22 0.05 0.00 0.00 0.00 0.00 19.45 17.82 1ocr n ALA 6 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1ocr h LYS 7 N 4.51 0.34 -2.06 0.00 1.57 -2.05 -3.36 116.57 115.52 1ocr h LYS 7 Ca -0.45 -0.27 -0.55 0.00 -1.87 0.00 0.00 60.65 57.52 1ocr h LYS 7 Cb 1.29 0.05 -0.40 0.00 0.08 0.00 0.00 32.23 33.25 1ocr h LYS 7 CO 0.78 0.90 -1.01 0.25 -0.57 0.00 0.00 179.45 179.81 1ocr n THR 8 N -3.83 0.30 -1.47 -0.16 -2.24 -1.26 -5.12 114.28 100.49 1ocr n THR 8 Ca -0.04 -4.52 -0.49 0.00 -2.27 0.00 0.00 64.05 56.74 1ocr n THR 8 Cb 0.69 -1.44 -0.03 0.00 -2.10 0.00 0.00 70.33 67.44 1ocr n THR 8 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1ocr n PRO 9 N 0.84 0.42 -3.43 -0.78 -0.04 -1.26 -4.93 135.00 125.82 1ocr n PRO 9 Ca 0.25 0.15 -0.44 0.00 -0.04 0.00 0.00 63.50 63.42 1ocr n PRO 9 Cb 0.54 -1.35 -0.07 0.00 -0.04 0.00 0.00 33.50 32.58 1ocr n PRO 9 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1ocr s THR 10 N -0.79 4.81 1.09 0.52 2.01 -1.26 -5.08 115.64 116.94 1ocr s THR 10 Ca 0.67 -1.49 -0.12 0.00 0.31 0.00 0.00 61.69 61.06 1ocr s THR 10 Cb -0.91 -4.05 0.24 0.00 0.01 0.00 0.00 72.50 67.79 1ocr s THR 10 CO 0.56 -0.75 1.06 -0.94 -0.69 0.00 0.00 174.62 173.87 1ocr s SER 11 N 2.97 1.54 0.26 3.53 1.04 -1.26 -4.69 113.70 117.09 1ocr s SER 11 Ca 0.04 1.73 -0.03 0.00 0.48 0.00 0.00 55.95 58.18 1ocr s SER 11 Cb -0.27 -2.39 0.41 0.00 0.10 0.00 0.00 66.02 63.87 1ocr s SER 11 CO 0.02 -3.89 1.86 -0.65 0.98 0.00 0.00 173.24 171.56 1ocr h PRO 12 N -2.41 1.03 0.07 4.02 0.11 -1.99 -1.39 132.00 131.44 1ocr h PRO 12 Ca -0.56 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.48 1ocr h PRO 12 Cb 1.31 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ocr h PRO 12 CO 0.47 0.68 -0.03 -0.22 -0.21 0.00 0.00 178.00 178.69 1ocr h LYS 13 N 1.06 -0.09 -0.98 1.05 3.64 -1.99 0.03 116.57 119.29 1ocr h LYS 13 Ca 0.43 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.91 1ocr h LYS 13 Cb 0.24 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.01 1ocr h LYS 13 CO -0.20 -0.01 0.63 0.93 -2.27 0.00 0.00 179.45 178.53 1ocr h GLU 14 N -0.15 1.01 -0.12 1.90 5.08 -1.73 -1.20 114.58 119.38 1ocr h GLU 14 Ca -0.01 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1ocr h GLU 14 Cb 0.12 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1ocr h GLU 14 CO 0.02 0.67 0.03 1.96 -1.00 0.00 0.00 179.01 180.69 1ocr h GLN 15 N 1.04 0.18 -1.00 2.33 4.20 -0.76 -0.52 115.11 120.57 1ocr h GLN 15 Ca 0.46 -0.04 0.16 0.00 0.06 0.00 0.00 58.65 59.29 1ocr h GLN 15 Cb 0.36 -0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.02 1ocr h GLN 15 CO -0.21 0.33 0.62 0.00 -0.67 0.00 0.00 178.83 178.90 1ocr h ALA 16 N 0.84 1.62 -0.21 3.87 0.00 0.11 0.41 119.26 125.90 1ocr h ALA 16 Ca 0.04 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1ocr h ALA 16 Cb 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ocr h ALA 16 CO -0.00 0.06 -0.44 0.82 0.00 0.00 0.00 179.25 179.70 1ocr h ILE 17 N 0.86 1.32 -0.66 0.00 2.04 -0.94 -1.72 117.51 118.40 1ocr h ILE 17 Ca 0.54 -1.66 -0.06 0.00 1.00 0.00 0.00 64.86 64.68 1ocr h ILE 17 Cb 0.73 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 1ocr h ILE 17 CO -0.33 0.52 0.17 1.23 0.00 0.00 0.00 178.15 179.74 1ocr h GLY 18 N 0.37 1.13 1.01 5.37 0.00 0.70 -0.57 103.07 111.09 1ocr h GLY 18 Ca 0.01 -0.70 -0.08 0.00 0.00 0.00 0.00 47.33 46.55 1ocr h GLY 18 CO 0.10 0.65 -0.02 -2.00 0.00 0.00 0.00 176.54 175.27 1ocr h LEU 19 N 0.98 0.86 0.06 3.11 6.46 -0.28 -1.92 115.31 124.58 1ocr h LEU 19 Ca 0.21 -0.32 -0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1ocr h LEU 19 Cb 0.35 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1ocr h LEU 19 CO 0.00 0.97 -0.03 0.28 -0.62 0.00 0.00 178.44 179.04 1ocr h SER 20 N 0.73 -0.07 -0.67 1.25 0.02 -1.05 -1.91 113.55 111.86 1ocr h SER 20 Ca 0.13 -0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1ocr h SER 20 Cb 0.54 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.06 1ocr h SER 20 CO 0.03 0.01 0.40 0.58 -1.14 0.00 0.00 176.83 176.72 1ocr h VAL 21 N -0.14 1.05 0.53 2.27 2.07 -1.05 -1.56 116.25 119.42 1ocr h VAL 21 Ca -0.01 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1ocr h VAL 21 Cb 0.12 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1ocr h VAL 21 CO 0.01 0.14 -0.29 0.74 0.02 0.00 0.00 177.57 178.19 1ocr h THR 22 N 0.78 0.40 -0.53 2.57 2.02 -1.11 -1.15 112.91 115.89 1ocr h THR 22 Ca 0.28 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.54 1ocr h THR 22 Cb 0.07 0.40 -0.07 0.00 -1.74 0.00 0.00 68.15 66.82 1ocr h THR 22 CO -0.13 0.00 0.15 -0.26 0.37 0.00 0.00 175.52 175.65 1ocr h PHE 23 N -0.77 0.26 -0.88 3.16 -1.00 -1.22 -2.13 116.94 114.37 1ocr h PHE 23 Ca -0.07 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.73 1ocr h PHE 23 Cb 0.61 -0.03 -0.04 0.00 3.61 0.00 0.00 35.95 40.09 1ocr h PHE 23 CO -0.07 0.04 0.49 -0.07 -1.61 0.00 0.00 178.31 177.09 1ocr h LEU 24 N 0.31 1.09 -2.14 1.54 4.07 -1.05 0.80 115.31 119.92 1ocr h LEU 24 Ca 0.27 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.13 1ocr h LEU 24 Cb 0.34 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.80 1ocr h LEU 24 CO -0.31 0.87 0.00 0.77 -1.08 0.00 0.00 178.44 178.69 1ocr h SER 25 N 1.22 0.00 0.09 -0.43 4.64 -0.53 -1.08 113.55 117.46 1ocr h SER 25 Ca 0.31 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.28 1ocr h SER 25 Cb 0.02 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 1ocr h SER 25 CO -0.05 0.00 -1.95 0.49 -0.87 0.00 0.00 176.83 174.45 1ocr n PHE 26 N -3.02 1.09 0.10 4.77 3.01 -0.32 -4.60 117.46 118.50 1ocr n PHE 26 Ca -0.01 0.26 -0.18 0.00 1.01 0.00 0.00 57.45 58.53 1ocr n PHE 26 Cb 0.18 -1.14 -0.15 0.00 -0.01 0.00 0.00 39.48 38.37 1ocr n PHE 26 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1ocr h LEU 27 N -0.12 0.52 0.86 4.37 3.38 -0.58 -3.37 115.31 120.38 1ocr h LEU 27 Ca -0.43 -0.60 -0.04 0.00 0.09 0.00 0.00 57.88 56.89 1ocr h LEU 27 Cb 1.91 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 42.49 1ocr h LEU 27 CO 0.02 1.48 -0.41 -0.07 0.09 0.00 0.00 178.44 179.54 1ocr h LEU 28 N 0.09 -0.98 -0.88 1.67 3.38 -1.45 -0.37 115.31 116.78 1ocr h LEU 28 Ca -0.20 0.03 0.14 0.00 0.09 0.00 0.00 57.88 57.95 1ocr h LEU 28 Cb 2.04 0.25 -0.09 0.00 0.09 0.00 0.00 40.66 42.95 1ocr h LEU 28 CO 0.21 -0.64 0.48 -0.65 0.09 0.00 0.00 178.44 177.93 1ocr h PRO 29 N -1.29 0.68 -0.25 1.13 0.11 -1.80 -0.20 132.00 130.38 1ocr h PRO 29 Ca -0.12 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.78 1ocr h PRO 29 Cb 0.89 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 1ocr h PRO 29 CO 0.19 0.45 -0.51 0.00 -0.21 0.00 0.00 178.00 177.92 1ocr h ALA 30 N 1.55 0.62 -0.73 -0.75 0.00 -1.71 -2.82 119.26 115.42 1ocr h ALA 30 Ca 0.47 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1ocr h ALA 30 Cb 0.63 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1ocr h ALA 30 CO -0.34 0.68 0.23 0.78 0.00 0.00 0.00 179.25 180.60 1ocr h GLY 31 N 0.90 1.20 0.96 0.00 0.00 -0.17 -1.19 103.07 104.77 1ocr h GLY 31 Ca 0.02 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 46.64 1ocr h GLY 31 CO 0.11 0.65 -0.20 -0.25 0.00 0.00 0.00 176.54 176.85 1ocr h TRP 32 N 1.08 -0.51 0.09 5.60 7.01 -0.95 0.71 115.95 128.97 1ocr h TRP 32 Ca 0.24 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.24 1ocr h TRP 32 Cb 0.29 0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.51 1ocr h TRP 32 CO 0.02 -0.31 -0.12 0.28 -2.79 0.00 0.00 178.44 175.52 1ocr h VAL 33 N -0.52 0.72 -0.96 2.65 2.07 -1.40 -2.73 116.25 116.07 1ocr h VAL 33 Ca -0.04 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.53 1ocr h VAL 33 Cb 0.42 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 1ocr h VAL 33 CO 0.06 0.00 0.63 -0.07 0.02 0.00 0.00 177.57 178.21 1ocr h LEU 34 N -0.25 1.01 -1.05 2.57 3.38 -1.09 -1.64 115.31 118.23 1ocr h LEU 34 Ca 0.01 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1ocr h LEU 34 Cb 0.26 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1ocr h LEU 34 CO -0.06 0.67 0.32 0.22 0.09 0.00 0.00 178.44 179.68 1ocr h TYR 35 N 1.16 0.98 -0.37 1.13 3.20 -0.67 -2.49 116.97 119.91 1ocr h TYR 35 Ca 0.40 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.22 1ocr h TYR 35 Cb 0.09 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.06 1ocr h TYR 35 CO -0.00 0.73 0.00 0.72 -1.64 0.00 0.00 178.16 177.97 1ocr n HIS 36 N -4.33 0.78 -0.27 -3.82 8.25 -0.65 -4.46 115.22 110.72 1ocr n HIS 36 Ca 0.06 -0.32 0.08 0.00 -0.26 0.00 0.00 57.72 57.28 1ocr n HIS 36 Cb 0.14 -0.13 0.22 0.00 1.12 0.00 0.00 29.99 31.35 1ocr n HIS 36 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1ocr h LEU 37 N 2.30 0.28 -0.40 2.41 3.38 -1.12 -1.35 115.31 120.82 1ocr h LEU 37 Ca 0.00 0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1ocr h LEU 37 Cb 0.84 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1ocr h LEU 37 CO 0.11 0.07 0.19 0.44 0.09 0.00 0.00 178.44 179.34 1ocr h ASP 38 N 0.43 0.28 0.00 -0.43 3.32 -1.85 -1.13 116.42 117.04 1ocr h ASP 38 Ca 0.46 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1ocr h ASP 38 Cb 0.75 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1ocr h ASP 38 CO -0.45 0.21 0.19 0.78 -1.72 0.00 0.00 179.24 178.25 1ocr h ASN 39 N 0.40 0.00 0.00 6.45 4.21 -1.58 -1.58 115.58 123.49 1ocr h ASN 39 Ca 0.17 0.00 -0.41 0.00 1.21 0.00 0.00 56.30 57.27 1ocr h ASN 39 Cb 0.08 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.21 1ocr h ASN 39 CO -0.12 0.00 -2.47 -1.22 -1.29 0.00 0.00 177.43 172.33 1ocr n TYR 40 N -2.76 0.06 -0.12 1.19 4.01 -0.78 -4.47 117.16 114.29 1ocr n TYR 40 Ca -0.02 0.02 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 1ocr n TYR 40 Cb 0.24 -1.01 0.01 0.00 -0.31 0.00 0.00 39.34 38.28 1ocr n TYR 40 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1ocr h LYS 41 N -0.35 0.42 0.00 -0.72 1.57 -0.42 -0.71 116.57 116.35 1ocr h LYS 41 Ca -0.61 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 1ocr h LYS 41 Cb 1.80 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.02 1ocr h LYS 41 CO -0.20 0.28 0.00 1.63 -0.57 0.00 0.00 179.45 180.59 1ocr n LYS 42 N -4.90 0.11 -0.51 3.15 4.76 -0.67 -5.10 118.16 115.00 1ocr n LYS 42 Ca 0.01 0.58 0.00 0.00 -2.87 0.00 0.00 58.31 56.03 1ocr n LYS 42 Cb 0.08 -1.83 0.00 0.00 -1.84 0.00 0.00 35.03 31.44 1ocr n LYS 42 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46