#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocr n HIS 2 N 0.00 2.59 -2.73 1.43 1.44 -1.26 -4.98 115.22 111.71 1ocr n HIS 2 Ca 0.00 -2.36 -0.33 0.00 -2.01 0.00 0.00 57.72 53.01 1ocr n HIS 2 Cb 0.00 -1.27 -0.06 0.00 0.12 0.00 0.00 29.99 28.78 1ocr n HIS 2 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 1ocr s TYR 3 N -3.28 3.21 0.54 -1.40 2.02 -1.26 -5.03 117.35 112.16 1ocr s TYR 3 Ca 0.55 1.60 -0.18 0.00 -0.37 0.00 0.00 57.07 58.67 1ocr s TYR 3 Cb 0.42 -2.92 -0.06 0.00 -0.40 0.00 0.00 41.96 39.01 1ocr s TYR 3 CO -0.24 -0.33 1.04 -1.21 -1.57 0.00 0.00 175.55 173.23 1ocr s GLU 4 N -3.20 3.59 0.15 -0.62 2.02 -1.26 -5.07 118.70 114.31 1ocr s GLU 4 Ca 0.64 1.23 0.06 0.00 0.02 0.00 0.00 54.97 56.91 1ocr s GLU 4 Cb -0.11 -2.07 -0.04 0.00 0.10 0.00 0.00 34.13 32.00 1ocr s GLU 4 CO 0.15 -0.59 -0.12 -1.21 0.02 0.00 0.00 175.26 173.51 1ocr s GLU 5 N -3.75 1.09 0.00 1.61 2.02 -1.26 -4.60 118.70 113.81 1ocr s GLU 5 Ca 0.64 -1.39 0.00 0.00 0.02 0.00 0.00 54.97 54.24 1ocr s GLU 5 Cb -0.15 -0.80 0.00 0.00 0.10 0.00 0.00 34.13 33.27 1ocr s GLU 5 CO 0.29 0.13 0.00 0.41 0.02 0.00 0.00 175.26 176.11 1ocr n GLY 6 N 0.04 1.98 3.66 -1.39 0.00 -1.26 -4.85 105.19 103.37 1ocr n GLY 6 Ca -0.12 -2.12 -0.49 0.00 0.00 0.00 0.00 46.02 43.30 1ocr n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ocr n PRO 7 N -0.05 1.83 -1.00 1.61 -0.02 -1.26 -1.43 135.00 134.69 1ocr n PRO 7 Ca 0.00 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1ocr n PRO 7 Cb 0.00 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.07 1ocr n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ocr n GLY 8 N 3.47 0.76 0.00 -1.23 0.00 -1.26 -4.86 105.19 102.07 1ocr n GLY 8 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 1ocr n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ocr n LYS 9 N -2.47 4.81 -1.26 1.61 4.01 -0.51 -4.58 118.16 119.77 1ocr n LYS 9 Ca 0.00 -0.01 -0.28 0.00 -0.51 0.00 0.00 58.31 57.52 1ocr n LYS 9 Cb 0.00 -0.75 0.15 0.00 -0.51 0.00 0.00 35.03 33.91 1ocr n LYS 9 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1ocr n ASN 10 N -1.18 5.06 -4.13 4.39 6.94 -1.23 -4.72 115.26 120.39 1ocr n ASN 10 Ca 0.01 -3.67 -0.15 0.00 -0.02 0.00 0.00 54.58 50.75 1ocr n ASN 10 Cb 0.07 -0.88 -0.11 0.00 -2.36 0.00 0.00 39.78 36.49 1ocr n ASN 10 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1ocr s ILE 11 N -3.81 0.83 -2.00 1.53 -4.36 -1.26 -5.04 121.20 107.09 1ocr s ILE 11 Ca 0.60 -1.37 0.17 0.00 -0.26 0.00 0.00 60.65 59.79 1ocr s ILE 11 Cb 0.49 -1.03 0.48 0.00 1.25 0.00 0.00 42.46 43.64 1ocr s ILE 11 CO 0.07 -0.42 1.51 -0.81 0.24 0.00 0.00 174.94 175.53 1ocr n PRO 12 N 1.04 0.80 -4.26 0.37 -0.04 -1.26 -4.75 135.00 126.89 1ocr n PRO 12 Ca -0.20 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.09 1ocr n PRO 12 Cb 0.56 -1.33 -0.13 0.00 -0.04 0.00 0.00 33.50 32.56 1ocr n PRO 12 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1ocr s PHE 13 N -2.00 0.94 0.20 0.54 -0.71 -1.26 -5.12 117.98 110.57 1ocr s PHE 13 Ca 0.25 -0.32 -0.30 0.00 -1.04 0.00 0.00 56.93 55.52 1ocr s PHE 13 Cb 0.12 -0.57 -0.08 0.00 -1.21 0.00 0.00 43.02 41.28 1ocr s PHE 13 CO 0.19 -0.00 1.05 0.45 -1.34 0.00 0.00 175.22 175.57 1ocr s SER 14 N -0.98 7.38 -0.12 1.98 0.15 -1.26 -4.93 113.70 115.91 1ocr s SER 14 Ca -0.01 2.06 0.18 0.00 0.70 0.00 0.00 55.95 58.89 1ocr s SER 14 Cb -0.07 -2.61 0.28 0.00 -1.71 0.00 0.00 66.02 61.91 1ocr s SER 14 CO 0.01 -0.10 1.14 0.55 1.20 0.00 0.00 173.24 176.04 1ocr n VAL 15 N 1.98 1.84 0.18 4.45 3.14 -1.26 -4.69 118.33 123.96 1ocr n VAL 15 Ca 0.01 -2.20 0.05 0.00 -2.96 0.00 0.00 64.34 59.24 1ocr n VAL 15 Cb 0.46 -0.21 0.29 0.00 -1.06 0.00 0.00 33.84 33.33 1ocr n VAL 15 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1ocr h GLU 16 N 0.00 0.00 -4.55 1.45 3.07 -1.91 -3.40 114.58 109.24 1ocr h GLU 16 Ca 0.00 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.24 1ocr h GLU 16 Cb 0.98 0.00 -0.37 0.00 -0.84 0.00 0.00 28.75 28.52 1ocr h GLU 16 CO 0.00 0.39 -0.81 1.21 -1.40 0.00 0.00 179.01 178.41 1ocr s ASN 17 N -6.43 3.47 0.59 1.42 3.84 -1.26 -5.00 114.94 111.57 1ocr s ASN 17 Ca 0.01 -0.93 0.29 0.00 0.21 0.00 0.00 52.86 52.44 1ocr s ASN 17 Cb 0.10 -1.23 1.77 0.00 -0.55 0.00 0.00 41.25 41.35 1ocr s ASN 17 CO 0.69 -0.16 2.21 0.07 -2.79 0.00 0.00 177.10 177.12 1ocr h LYS 18 N 7.97 0.00 0.03 0.43 2.10 -1.96 -0.09 116.57 125.04 1ocr h LYS 18 Ca -0.26 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.12 1ocr h LYS 18 Cb 1.09 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.39 1ocr h LYS 18 CO 0.47 0.00 -1.47 -1.49 -2.00 0.00 0.00 179.45 174.96 1ocr h TRP 19 N 0.00 0.11 -0.09 0.07 4.06 -1.97 -1.58 115.95 116.55 1ocr h TRP 19 Ca 0.03 -0.08 -0.18 0.00 2.06 0.00 0.00 58.89 60.72 1ocr h TRP 19 Cb 0.15 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.30 1ocr h TRP 19 CO 0.00 1.11 -0.69 -0.09 -3.56 0.00 0.00 178.44 175.21 1ocr h ARG 20 N 0.02 0.40 -0.31 0.49 2.43 -1.79 -2.18 114.38 113.44 1ocr h ARG 20 Ca -0.20 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 58.64 1ocr h ARG 20 Cb 1.94 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.54 1ocr h ARG 20 CO 0.11 0.95 0.12 1.25 -1.51 0.00 0.00 179.97 180.88 1ocr h LEU 21 N 0.28 0.44 -0.97 3.80 5.85 -1.08 -0.76 115.31 122.87 1ocr h LEU 21 Ca -0.02 -0.18 0.16 0.00 0.84 0.00 0.00 57.88 58.68 1ocr h LEU 21 Cb 1.26 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 42.07 1ocr h LEU 21 CO 0.12 0.50 0.57 0.25 -0.34 0.00 0.00 178.44 179.55 1ocr h LEU 22 N 0.36 0.76 -0.01 2.25 6.46 -0.96 0.21 115.31 124.39 1ocr h LEU 22 Ca 0.10 0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1ocr h LEU 22 Cb 0.21 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.08 1ocr h LEU 22 CO -0.01 0.32 -0.00 0.00 -0.62 0.00 0.00 178.44 178.13 1ocr h ALA 23 N 1.59 0.01 -0.74 1.25 0.00 -0.77 -1.24 119.26 119.38 1ocr h ALA 23 Ca 0.53 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1ocr h ALA 23 Cb 0.73 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1ocr h ALA 23 CO -0.35 -0.27 0.42 0.52 0.00 0.00 0.00 179.25 179.57 1ocr h MET 24 N -0.40 1.01 -0.53 0.00 2.86 -0.04 -0.05 114.93 117.77 1ocr h MET 24 Ca 0.00 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 1ocr h MET 24 Cb 0.43 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1ocr h MET 24 CO 0.00 0.74 0.15 0.52 1.06 0.00 0.00 176.91 179.38 1ocr h MET 25 N 1.01 0.84 -0.33 1.72 2.07 -0.63 0.75 114.93 120.35 1ocr h MET 25 Ca 0.26 -0.19 0.03 0.00 -2.07 0.00 0.00 59.70 57.73 1ocr h MET 25 Cb 0.01 -0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 29.59 1ocr h MET 25 CO -0.04 0.78 0.15 1.15 1.07 0.00 0.00 176.91 180.02 1ocr h THR 26 N 0.74 0.97 -0.14 2.22 2.02 -0.72 -1.02 112.91 116.98 1ocr h THR 26 Ca 0.17 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1ocr h THR 26 Cb 0.31 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1ocr h THR 26 CO -0.00 0.06 0.06 -0.07 0.37 0.00 0.00 175.52 175.94 1ocr h LEU 27 N 0.32 0.19 0.00 2.58 4.07 -0.66 0.16 115.31 121.95 1ocr h LEU 27 Ca 0.14 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ocr h LEU 27 Cb 0.07 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.76 1ocr h LEU 27 CO -0.11 0.27 0.00 0.33 -1.08 0.00 0.00 178.44 177.86 1ocr n PHE 28 N -4.90 0.00 0.09 1.13 7.35 0.22 -0.23 117.46 121.12 1ocr n PHE 28 Ca -0.05 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.66 1ocr n PHE 28 Cb 0.10 -0.45 0.35 0.00 0.35 0.00 0.00 39.48 39.83 1ocr n PHE 28 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1ocr h PHE 29 N 0.00 0.31 0.53 -5.13 0.04 -1.29 -2.43 116.94 108.97 1ocr h PHE 29 Ca 0.00 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 1ocr h PHE 29 Cb 0.00 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.07 1ocr h PHE 29 CO -0.18 0.43 -0.28 0.78 -0.60 0.00 0.00 178.31 178.47 1ocr h GLY 30 N 0.81 -0.78 0.57 -1.45 0.00 -0.56 -0.22 103.07 101.45 1ocr h GLY 30 Ca 0.05 0.30 0.11 0.00 0.00 0.00 0.00 47.33 47.79 1ocr h GLY 30 CO 0.02 -0.28 0.62 1.48 0.00 0.00 0.00 176.54 178.38 1ocr h SER 31 N -0.74 0.91 0.05 0.19 4.64 -0.41 0.89 113.55 119.08 1ocr h SER 31 Ca -0.07 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1ocr h SER 31 Cb 0.58 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1ocr h SER 31 CO 0.10 0.51 -0.02 1.23 -0.87 0.00 0.00 176.83 177.78 1ocr h GLY 32 N 0.99 -0.07 1.59 -0.77 0.00 -0.93 -1.57 103.07 102.31 1ocr h GLY 32 Ca 0.47 0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.72 1ocr h GLY 32 CO -0.23 -0.02 -0.26 -2.75 0.00 0.00 0.00 176.54 173.28 1ocr h PHE 33 N -0.06 0.54 -0.36 5.60 3.57 -0.20 -3.19 116.94 122.84 1ocr h PHE 33 Ca -0.01 -0.12 -0.15 0.00 3.53 0.00 0.00 57.97 61.22 1ocr h PHE 33 Cb 0.05 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1ocr h PHE 33 CO -0.08 0.70 -0.38 0.00 -2.23 0.00 0.00 178.31 176.32 1ocr h ALA 34 N 1.30 0.65 -0.78 2.41 0.00 -0.63 -3.36 119.26 118.84 1ocr h ALA 34 Ca 0.06 -0.45 0.11 0.00 0.00 0.00 0.00 54.91 54.63 1ocr h ALA 34 Cb 0.68 -0.12 -0.13 0.00 0.00 0.00 0.00 17.79 18.23 1ocr h ALA 34 CO 0.05 0.67 -0.43 0.00 0.00 0.00 0.00 179.25 179.54 1ocr h ALA 35 N 0.86 -0.17 -0.90 0.00 0.00 -1.28 -1.58 119.26 116.19 1ocr h ALA 35 Ca 0.06 0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.29 1ocr h ALA 35 Cb 0.96 1.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.70 1ocr h ALA 35 CO 0.09 -0.77 0.58 -1.35 0.00 0.00 0.00 179.25 177.80 1ocr h PRO 36 N -0.11 0.67 -0.42 0.00 0.11 -1.78 -1.19 132.00 129.28 1ocr h PRO 36 Ca 0.24 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.22 1ocr h PRO 36 Cb 0.55 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 1ocr h PRO 36 CO -0.83 0.44 -0.10 0.74 -0.21 0.00 0.00 178.00 178.05 1ocr h PHE 37 N 0.69 0.82 0.00 0.65 0.04 -1.52 -1.29 116.94 116.33 1ocr h PHE 37 Ca 0.46 -0.14 -0.08 0.00 2.80 0.00 0.00 57.97 61.00 1ocr h PHE 37 Cb 0.75 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 1ocr h PHE 37 CO -0.00 0.82 -0.40 0.74 -0.60 0.00 0.00 178.31 178.86 1ocr h PHE 38 N 0.68 0.00 -0.15 -0.55 -1.00 -1.03 -1.72 116.94 113.17 1ocr h PHE 38 Ca 0.12 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.79 1ocr h PHE 38 Cb 0.56 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.13 1ocr h PHE 38 CO 0.03 0.40 -0.34 0.82 -1.61 0.00 0.00 178.31 177.61 1ocr h ILE 39 N 0.00 1.36 -0.77 -0.55 2.04 -0.89 0.23 117.51 118.93 1ocr h ILE 39 Ca -0.00 -1.61 0.03 0.00 1.00 0.00 0.00 64.86 64.28 1ocr h ILE 39 Cb 1.19 1.99 -0.04 0.00 -0.74 0.00 0.00 36.82 39.23 1ocr h ILE 39 CO 0.05 0.48 0.51 0.58 0.00 0.00 0.00 178.15 179.77 1ocr h VAL 40 N 0.13 1.13 -0.14 1.67 2.07 -1.13 0.47 116.25 120.45 1ocr h VAL 40 Ca 0.00 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1ocr h VAL 40 Cb 0.95 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1ocr h VAL 40 CO 0.08 0.17 -0.04 -0.09 0.02 0.00 0.00 177.57 177.71 1ocr h ARG 41 N 0.95 0.27 -0.91 1.57 2.43 -1.02 -1.53 114.38 116.14 1ocr h ARG 41 Ca 0.30 -0.11 0.09 0.00 -0.81 0.00 0.00 59.98 59.46 1ocr h ARG 41 Cb 0.02 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.48 1ocr h ARG 41 CO -0.08 0.56 0.56 1.25 -1.51 0.00 0.00 179.97 180.75 1ocr h HIS 42 N -0.04 1.02 -0.37 2.20 2.76 0.38 -0.99 115.15 120.11 1ocr h HIS 42 Ca 0.03 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.12 1ocr h HIS 42 Cb 0.47 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 1ocr h HIS 42 CO 0.05 0.44 -0.23 1.96 -1.30 0.00 0.00 177.93 178.85 1ocr h GLN 43 N 0.94 0.82 0.00 5.26 1.08 -0.80 -2.73 115.11 119.67 1ocr h GLN 43 Ca 0.43 -0.38 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 1ocr h GLN 43 Cb 0.35 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1ocr h GLN 43 CO -0.23 1.01 -0.04 -0.07 -0.95 0.00 0.00 178.83 178.55 1ocr h LEU 44 N 0.62 0.00 -2.99 1.46 4.07 -0.43 -2.80 115.31 115.24 1ocr h LEU 44 Ca 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.00 1ocr h LEU 44 Cb 0.80 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.52 1ocr h LEU 44 CO 0.07 0.04 0.04 0.18 -1.08 0.00 0.00 178.44 177.69 1ocr n LEU 45 N -3.42 4.71 -0.03 1.67 4.77 -0.46 -3.70 117.00 120.55 1ocr n LEU 45 Ca -0.02 -2.40 -0.02 0.00 -0.03 0.00 0.00 56.01 53.54 1ocr n LEU 45 Cb 0.16 -0.65 -0.06 0.00 -2.33 0.00 0.00 43.42 40.54 1ocr n LEU 45 CO 0.26 0.57 -0.70 0.29 -1.33 0.00 0.00 177.39 176.48 1ocr n LYS 46 N 0.36 2.16 0.00 3.23 5.02 -1.06 -5.04 118.16 122.84 1ocr n LYS 46 Ca 0.23 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1ocr n LYS 46 Cb 1.01 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.83 1ocr n LYS 46 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05