#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2guk n ASN 7 N 0.00 0.09 -0.10 1.96 2.04 -1.26 -4.79 115.26 113.21 2guk n ASN 7 Ca 0.00 -1.34 -0.10 0.00 -0.44 0.00 0.00 54.58 52.70 2guk n ASN 7 Cb 0.00 -0.67 -0.03 0.00 -2.53 0.00 0.00 39.78 36.54 2guk n ASN 7 CO 0.00 0.00 0.00 -1.28 -0.44 0.00 0.00 177.26 175.54 2guk h SER 8 N -1.15 0.44 -0.88 0.53 0.87 -2.06 -1.71 113.55 109.60 2guk h SER 8 Ca -0.29 -0.23 0.08 0.00 -1.23 0.00 0.00 61.79 60.12 2guk h SER 8 Cb 0.80 -0.12 -0.07 0.00 -0.44 0.00 0.00 62.40 62.57 2guk h SER 8 CO 0.20 0.55 0.53 0.44 -0.53 0.00 0.00 176.83 178.03 2guk h ASP 9 N 0.30 0.81 -0.05 6.23 3.32 -1.96 -2.19 116.42 122.89 2guk h ASP 9 Ca 0.09 0.03 -0.18 0.00 0.02 0.00 0.00 57.03 56.99 2guk h ASP 9 Cb 0.28 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.71 2guk h ASP 9 CO 0.00 0.49 -0.66 -0.07 -1.72 0.00 0.00 179.24 177.28 2guk h LEU 10 N 0.93 0.66 -1.08 1.55 3.38 -1.91 -0.90 115.31 117.94 2guk h LEU 10 Ca 0.40 -0.71 0.14 0.00 0.09 0.00 0.00 57.88 57.80 2guk h LEU 10 Cb 0.27 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 2guk h LEU 10 CO -0.21 1.27 0.62 0.03 0.09 0.00 0.00 178.44 180.24 2guk h ARG 11 N 0.11 0.85 -0.25 1.13 3.08 -1.19 -1.85 114.38 116.27 2guk h ARG 11 Ca -0.07 -0.05 -0.19 0.00 0.07 0.00 0.00 59.98 59.74 2guk h ARG 11 Cb 1.33 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2guk h ARG 11 CO 0.13 0.56 -0.59 0.28 -1.07 0.00 0.00 179.97 179.29 2guk h VAL 12 N 0.88 1.29 0.00 2.04 2.07 -1.27 -2.97 116.25 118.29 2guk h VAL 12 Ca 0.50 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 66.23 2guk h VAL 12 Cb 0.62 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2guk h VAL 12 CO -0.27 0.58 0.00 0.33 0.02 0.00 0.00 177.57 178.23 2guk n PHE 13 N -3.98 0.00 0.00 1.57 -0.00 -0.36 -2.28 117.46 112.41 2guk n PHE 13 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.40 2guk n PHE 13 Cb 0.64 -0.03 0.00 0.00 -0.00 0.00 0.00 39.48 40.09 2guk n PHE 13 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.76 178.34 2guk n HIS 15 N 0.59 0.00 -0.26 -5.13 -0.00 -1.12 -1.43 115.22 107.87 2guk n HIS 15 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.66 2guk n HIS 15 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.04 2guk n HIS 15 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2guk h HIS 16 N 0.00 1.00 -0.24 1.57 3.86 -1.78 -2.55 115.15 117.02 2guk h HIS 16 Ca 0.00 -0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.23 2guk h HIS 16 Cb 0.00 -0.32 -0.04 0.00 1.06 0.00 0.00 27.41 28.11 2guk h HIS 16 CO 0.00 0.71 -0.06 0.82 0.86 0.00 0.00 177.93 180.26 2guk h ILE 17 N 0.99 0.76 -0.76 2.45 2.04 -1.55 -0.57 117.51 120.88 2guk h ILE 17 Ca 0.25 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.22 2guk h ILE 17 Cb 0.05 0.76 -0.08 0.00 -0.74 0.00 0.00 36.82 36.81 2guk h ILE 17 CO -0.04 0.00 0.39 1.88 0.00 0.00 0.00 178.15 180.38 2guk h TYR 18 N -0.00 0.69 -0.55 1.37 0.99 -1.80 -1.78 116.97 115.88 2guk h TYR 18 Ca 0.11 0.03 -0.09 0.00 2.00 0.00 0.00 58.73 60.78 2guk h TYR 18 Cb 0.17 -0.19 -0.02 0.00 1.00 0.00 0.00 36.73 37.69 2guk h TYR 18 CO -0.24 0.23 -0.02 0.93 -0.00 0.00 0.00 178.16 179.06 2guk h GLU 19 N 0.63 0.97 -0.66 4.88 5.08 -1.11 -2.70 114.58 121.66 2guk h GLU 19 Ca 0.38 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2guk h GLU 19 Cb 0.44 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2guk h GLU 19 CO -0.29 0.97 0.22 0.35 -1.00 0.00 0.00 179.01 179.26 2guk h PHE 20 N 0.89 1.02 -0.46 4.33 3.04 -0.42 -2.26 116.94 123.07 2guk h PHE 20 Ca 0.16 -0.08 -0.08 0.00 3.98 0.00 0.00 57.97 61.94 2guk h PHE 20 Cb 0.55 -0.30 -0.02 0.00 2.56 0.00 0.00 35.95 38.73 2guk h PHE 20 CO 0.03 0.80 -0.06 0.93 -2.02 0.00 0.00 178.31 178.00 2guk h GLU 21 N 0.97 0.79 0.00 1.11 5.08 -1.14 -1.59 114.58 119.81 2guk h GLU 21 Ca 0.22 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2guk h GLU 21 Cb 0.25 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2guk h GLU 21 CO -0.01 0.84 0.00 1.63 -1.00 0.00 0.00 179.01 180.47 2guk n LYS 22 N -4.19 0.49 -2.13 2.33 5.02 -1.04 -4.92 118.16 113.72 2guk n LYS 22 Ca 0.02 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.30 2guk n LYS 22 Cb 0.34 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 2guk n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2guk n GLY 23 N 1.26 0.47 0.31 0.72 0.00 -0.60 -4.97 105.19 102.39 2guk n GLY 23 Ca 0.15 -0.82 0.02 0.00 0.00 0.00 0.00 46.02 45.38 2guk n GLY 23 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2guk h VAL 24 N -0.02 1.15 -3.38 1.61 2.07 -1.62 -3.46 116.25 112.60 2guk h VAL 24 Ca -0.01 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 2guk h VAL 24 Cb 1.01 0.50 -0.08 0.00 -1.52 0.00 0.00 31.29 31.20 2guk h VAL 24 CO 0.02 0.16 0.01 0.00 0.02 0.00 0.00 177.57 177.78 2guk s ARG 25 N -5.46 1.57 -0.09 1.57 1.70 -1.26 -4.96 118.95 112.02 2guk s ARG 25 Ca -0.09 -1.08 0.19 0.00 -0.47 0.00 0.00 55.73 54.29 2guk s ARG 25 Cb 0.17 0.52 0.71 0.00 -0.57 0.00 0.00 34.95 35.78 2guk s ARG 25 CO 0.75 -0.68 1.61 0.43 -1.08 0.00 0.00 175.30 176.34 2guk n SER 26 N -0.39 4.59 -3.60 -2.89 7.64 -1.26 -4.84 113.62 112.87 2guk n SER 26 Ca -0.04 -2.34 -0.14 0.00 1.01 0.00 0.00 58.87 57.35 2guk n SER 26 Cb 0.61 -0.56 -0.07 0.00 -1.01 0.00 0.00 64.21 63.19 2guk n SER 26 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2guk s VAL 28 N -1.65 0.00 -0.19 0.44 1.01 0.11 -1.33 120.40 118.79 2guk s VAL 28 Ca 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.46 2guk s VAL 28 Cb 0.31 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 2guk s VAL 28 CO 0.27 0.00 -0.08 -0.22 0.00 0.00 0.00 175.10 175.06 2guk s LEU 29 N -0.21 2.76 -0.08 3.92 2.96 -1.26 -1.37 118.68 125.40 2guk s LEU 29 Ca -0.02 -0.41 0.05 0.00 -0.22 0.00 0.00 54.13 53.53 2guk s LEU 29 Cb -0.03 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 2guk s LEU 29 CO 0.02 0.03 -0.23 0.00 -1.32 0.00 0.00 176.35 174.85 2guk s ALA 30 N 1.18 2.25 -0.25 5.97 0.00 -0.22 -4.97 121.76 125.72 2guk s ALA 30 Ca 0.02 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 50.88 2guk s ALA 30 Cb -0.14 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 2guk s ALA 30 CO -0.03 0.36 0.14 0.99 0.00 0.00 0.00 175.76 177.23 2guk s THR 31 N 0.03 4.99 0.16 0.00 2.01 -1.26 0.45 115.64 122.02 2guk s THR 31 Ca -0.09 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.02 2guk s THR 31 Cb -0.15 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 2guk s THR 31 CO 0.05 0.32 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.44 2guk s LEU 32 N 1.43 2.52 0.37 4.42 1.43 -0.27 -4.96 118.68 123.62 2guk s LEU 32 Ca 0.06 -1.02 -0.28 0.00 -1.03 0.00 0.00 54.13 51.86 2guk s LEU 32 Cb -0.15 -0.40 -0.11 0.00 0.03 0.00 0.00 46.19 45.56 2guk s LEU 32 CO 0.07 -0.31 1.46 0.00 0.23 0.00 0.00 176.35 177.79 2guk s ALA 33 N -3.27 3.55 0.32 4.21 0.00 -1.26 0.10 121.76 125.41 2guk s ALA 33 Ca 0.18 1.52 0.08 0.00 0.00 0.00 0.00 51.96 53.75 2guk s ALA 33 Cb 0.02 -3.59 0.82 0.00 0.00 0.00 0.00 23.12 20.37 2guk s ALA 33 CO 0.02 -1.00 1.77 -0.91 0.00 0.00 0.00 175.76 175.64 2guk h ASN 34 N 3.04 0.72 0.38 0.00 2.35 -1.27 0.64 115.58 121.43 2guk h ASN 34 Ca -0.51 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.33 2guk h ASN 34 Cb 1.24 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 39.58 2guk h ASN 34 CO 0.64 0.22 -0.10 0.44 -1.65 0.00 0.00 177.43 176.98 2guk h ASP 35 N 0.68 0.00 0.38 5.81 3.45 -1.91 -2.60 116.42 122.22 2guk h ASP 35 Ca 0.59 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.05 2guk h ASP 35 Cb 1.04 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.81 2guk h ASP 35 CO -0.39 0.10 -0.54 0.47 -1.57 0.00 0.00 179.24 177.31 2guk n ASP 36 N -3.55 0.68 0.03 6.45 8.00 0.20 -4.50 116.55 123.85 2guk n ASP 36 Ca -0.02 -0.47 -0.13 0.00 0.71 0.00 0.00 54.79 54.88 2guk n ASP 36 Cb 0.23 0.35 -0.08 0.00 -0.02 0.00 0.00 41.12 41.59 2guk n ASP 36 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2guk h ILE 37 N 0.21 1.14 -0.70 0.53 1.08 -1.31 -1.67 117.51 116.78 2guk h ILE 37 Ca 0.00 -0.51 0.14 0.00 -0.39 0.00 0.00 64.86 64.09 2guk h ILE 37 Cb 0.51 1.48 -0.13 0.00 -3.07 0.00 0.00 36.82 35.60 2guk h ILE 37 CO 0.00 0.13 -0.23 -0.65 -0.69 0.00 0.00 178.15 176.71 2guk h PRO 38 N -0.26 -0.04 -0.06 2.37 0.11 -1.79 0.98 132.00 133.30 2guk h PRO 38 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2guk h PRO 38 Cb 0.24 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.36 2guk h PRO 38 CO 0.01 -0.03 0.03 -0.92 -0.21 0.00 0.00 178.00 176.87 2guk h TYR 39 N -0.05 0.05 -0.51 0.65 5.03 -1.84 -0.50 116.97 119.80 2guk h TYR 39 Ca 0.32 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.69 2guk h TYR 39 Cb 0.54 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 38.76 2guk h TYR 39 CO -0.61 0.03 0.22 0.00 -1.32 0.00 0.00 178.16 176.47 2guk h ALA 40 N 1.03 0.65 -0.60 1.82 0.00 -0.62 -1.96 119.26 119.57 2guk h ALA 40 Ca 0.02 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2guk h ALA 40 Cb 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2guk h ALA 40 CO -0.02 -0.16 0.08 0.93 0.00 0.00 0.00 179.25 180.08 2guk h GLU 41 N 0.42 0.98 -0.70 0.00 5.08 -0.68 -2.09 114.58 117.59 2guk h GLU 41 Ca 0.24 -0.26 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2guk h GLU 41 Cb 0.22 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 2guk h GLU 41 CO -0.21 0.92 0.42 1.49 -1.00 0.00 0.00 179.01 180.63 2guk h GLU 42 N 0.92 0.77 -0.60 2.33 4.81 -0.58 -0.39 114.58 121.84 2guk h GLU 42 Ca 0.18 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2guk h GLU 42 Cb 0.43 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 2guk h GLU 42 CO 0.01 0.51 0.25 0.00 -0.73 0.00 0.00 179.01 179.05 2guk h ARG 43 N 0.79 0.86 -0.24 1.92 2.47 -0.94 -0.79 114.38 118.45 2guk h ARG 43 Ca 0.30 -0.13 -0.07 0.00 -1.26 0.00 0.00 59.98 58.83 2guk h ARG 43 Cb 0.12 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 2guk h ARG 43 CO -0.15 0.70 -0.11 -0.07 0.56 0.00 0.00 179.97 180.89 2guk h LEU 44 N 0.85 0.51 -0.95 3.04 3.38 -0.91 -3.20 115.31 118.04 2guk h LEU 44 Ca 0.20 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 2guk h LEU 44 Cb 0.15 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2guk h LEU 44 CO -0.02 0.81 0.50 0.03 0.09 0.00 0.00 178.44 179.84 2guk h ARG 45 N 0.22 1.23 -0.33 1.13 3.08 -0.80 0.01 114.38 118.92 2guk h ARG 45 Ca 0.05 -0.14 0.10 0.00 0.07 0.00 0.00 59.98 60.06 2guk h ARG 45 Cb 0.61 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2guk h ARG 45 CO 0.03 0.89 0.26 0.66 -1.07 0.00 0.00 179.97 180.75 2guk h SER 46 N 1.24 0.00 -0.06 7.04 4.64 -1.14 -1.23 113.55 124.04 2guk h SER 46 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2guk h SER 46 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2guk h SER 46 CO -0.05 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.45 2guk n ARG 47 N -4.27 1.81 -3.06 4.77 1.74 -0.83 -4.97 116.66 111.86 2guk n ARG 47 Ca 0.05 -1.73 -0.22 0.00 -0.77 0.00 0.00 57.85 55.18 2guk n ARG 47 Cb 0.43 -1.39 0.03 0.00 -1.02 0.00 0.00 32.46 30.51 2guk n ARG 47 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2guk n GLN 48 N 1.12 -4.61 -3.15 5.56 6.02 -0.46 -4.96 117.38 116.89 2guk n GLN 48 Ca 0.12 0.85 -0.40 0.00 -0.01 0.00 0.00 57.00 57.55 2guk n GLN 48 Cb 0.50 -5.68 -0.07 0.00 1.02 0.00 0.00 30.24 26.01 2guk n GLN 48 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2guk s ILE 49 N -3.14 5.02 0.56 5.09 1.01 -0.12 -5.00 121.20 124.62 2guk s ILE 49 Ca 0.31 1.06 -0.21 0.00 0.00 0.00 0.00 60.65 61.82 2guk s ILE 49 Cb -0.14 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 2guk s ILE 49 CO 0.38 0.07 1.21 -2.65 0.00 0.00 0.00 174.94 173.95 2guk n PRO 50 N 5.48 1.37 -3.78 2.79 -0.02 -1.25 -4.50 135.00 135.09 2guk n PRO 50 Ca -0.02 0.51 -0.10 0.00 -2.02 0.00 0.00 63.50 61.87 2guk n PRO 50 Cb 0.49 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 2guk n PRO 50 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2guk s TYR 51 N -1.36 0.03 -0.08 6.00 1.13 -1.26 -2.09 117.35 119.71 2guk s TYR 51 Ca 0.73 -0.39 -0.03 0.00 -1.41 0.00 0.00 57.07 55.98 2guk s TYR 51 Cb -0.43 0.14 0.05 0.00 -1.10 0.00 0.00 41.96 40.62 2guk s TYR 51 CO 0.48 -0.71 0.15 0.12 -2.51 0.00 0.00 175.55 173.08 2guk s PHE 52 N -3.87 -0.15 -0.06 -3.49 5.36 0.16 -4.99 117.98 110.94 2guk s PHE 52 Ca 0.08 0.54 -0.11 0.00 -0.96 0.00 0.00 56.93 56.47 2guk s PHE 52 Cb 0.02 -0.30 -0.05 0.00 -0.34 0.00 0.00 43.02 42.36 2guk s PHE 52 CO -0.07 -0.28 0.28 0.00 -1.46 0.00 0.00 175.22 173.69 2guk s ALA 53 N 2.28 3.77 -0.35 11.12 0.00 -1.26 -0.16 121.76 137.16 2guk s ALA 53 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2guk s ALA 53 Cb -0.12 -2.21 0.11 0.00 0.00 0.00 0.00 23.12 20.90 2guk s ALA 53 CO -0.06 0.51 0.13 -1.14 0.00 0.00 0.00 175.76 175.21 2guk s GLN 54 N -0.93 0.91 0.49 0.00 0.74 0.15 -4.99 119.66 116.02 2guk s GLN 54 Ca 0.19 -1.37 -0.24 0.00 0.05 0.00 0.00 55.36 53.99 2guk s GLN 54 Cb -0.14 -2.15 -0.07 0.00 1.10 0.00 0.00 33.01 31.75 2guk s GLN 54 CO 0.09 -1.03 1.39 -2.30 -0.55 0.00 0.00 175.29 172.89 2guk n PRO 55 N 4.45 2.02 -3.36 1.67 -0.02 -1.26 -0.90 135.00 137.60 2guk n PRO 55 Ca 0.01 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 2guk n PRO 55 Cb 0.40 -2.60 -0.09 0.00 -0.02 0.00 0.00 33.50 31.19 2guk n PRO 55 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2guk s THR 56 N -1.23 5.13 0.19 3.45 2.01 -0.54 -4.85 115.64 119.79 2guk s THR 56 Ca 0.65 -0.05 -0.23 0.00 0.31 0.00 0.00 61.69 62.37 2guk s THR 56 Cb -0.44 -3.91 0.09 0.00 0.01 0.00 0.00 72.50 68.25 2guk s THR 56 CO 0.54 -0.21 1.50 -2.65 -0.69 0.00 0.00 174.62 173.11 2guk n PRO 57 N 5.49 -0.33 -0.80 4.92 -0.01 -1.26 -2.07 135.00 140.94 2guk n PRO 57 Ca -0.08 1.48 -0.07 0.00 -0.01 0.00 0.00 63.50 64.82 2guk n PRO 57 Cb 0.49 -2.19 0.22 0.00 -0.01 0.00 0.00 33.50 32.01 2guk n PRO 57 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 175.50 175.58 2guk n ASN 58 N -5.32 4.04 -3.48 2.55 3.02 -1.26 -4.90 115.26 109.90 2guk n ASN 58 Ca 0.06 -2.96 -0.22 0.00 -0.03 0.00 0.00 54.58 51.44 2guk n ASN 58 Cb 0.32 -0.70 -0.07 0.00 -0.61 0.00 0.00 39.78 38.72 2guk n ASN 58 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2guk n THR 59 N -0.15 0.00 -1.67 3.41 -1.04 -0.88 -5.03 114.28 108.92 2guk n THR 59 Ca 0.33 -2.39 -0.32 0.00 -2.04 0.00 0.00 64.05 59.62 2guk n THR 59 Cb 1.18 1.06 0.05 0.00 -1.82 0.00 0.00 70.33 70.80 2guk n THR 59 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2guk n GLU 60 N -0.75 2.98 -4.26 -2.82 4.71 -1.26 -4.83 120.64 114.41 2guk n GLU 60 Ca 0.02 -3.63 -0.21 0.00 -0.01 0.00 0.00 57.16 53.33 2guk n GLU 60 Cb 0.60 -2.28 -0.12 0.00 -1.01 0.00 0.00 31.44 28.63 2guk n GLU 60 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2guk s ARG 61 N -3.79 1.07 -0.03 3.49 0.52 -1.26 -0.79 118.95 118.17 2guk s ARG 61 Ca 0.58 -1.19 0.02 0.00 -0.52 0.00 0.00 55.73 54.63 2guk s ARG 61 Cb 0.47 -1.17 0.01 0.00 0.52 0.00 0.00 34.95 34.77 2guk s ARG 61 CO -0.07 0.26 -0.08 0.99 0.02 0.00 0.00 175.30 176.42 2guk s THR 62 N -1.55 0.70 -0.33 0.02 2.01 0.12 -1.47 115.64 115.13 2guk s THR 62 Ca 0.07 -0.29 -0.28 0.00 0.31 0.00 0.00 61.69 61.50 2guk s THR 62 Cb -0.08 -0.65 0.02 0.00 0.01 0.00 0.00 72.50 71.80 2guk s THR 62 CO 0.04 0.23 1.03 0.20 -0.69 0.00 0.00 174.62 175.43 2guk s ASN 63 N 0.37 6.86 -0.37 3.53 0.01 -0.08 -1.12 114.94 124.13 2guk s ASN 63 Ca -0.06 0.92 -0.08 0.00 -0.71 0.00 0.00 52.86 52.93 2guk s ASN 63 Cb -0.10 -2.52 0.05 0.00 0.41 0.00 0.00 41.25 39.09 2guk s ASN 63 CO 0.01 -0.87 0.18 -0.22 -1.51 0.00 0.00 177.10 174.69 2guk s LEU 64 N 3.60 4.70 0.09 0.60 0.20 0.17 0.35 118.68 128.40 2guk s LEU 64 Ca 0.43 -1.23 -0.19 0.00 0.69 0.00 0.00 54.13 53.83 2guk s LEU 64 Cb -0.12 -1.95 -0.07 0.00 -0.43 0.00 0.00 46.19 43.62 2guk s LEU 64 CO 0.16 -0.41 0.59 -0.36 -0.29 0.00 0.00 176.35 176.04 2guk s PHE 65 N 1.45 3.78 0.04 5.38 0.40 0.77 -1.05 117.98 128.75 2guk s PHE 65 Ca 0.01 1.28 -0.06 0.00 -0.60 0.00 0.00 56.93 57.56 2guk s PHE 65 Cb -0.20 -2.50 -0.01 0.00 0.51 0.00 0.00 43.02 40.81 2guk s PHE 65 CO 0.04 0.55 0.11 -0.59 0.70 0.00 0.00 175.22 176.03 2guk s PHE 66 N -1.18 0.18 -5.00 0.36 -0.71 -0.47 -0.66 117.98 110.50 2guk s PHE 66 Ca 0.31 -0.47 0.00 0.00 -1.04 0.00 0.00 56.93 55.73 2guk s PHE 66 Cb -0.19 -0.13 0.00 0.00 -1.21 0.00 0.00 43.02 41.49 2guk s PHE 66 CO 0.20 -0.37 0.00 0.41 -1.34 0.00 0.00 175.22 174.11 2guk n GLY 67 N 0.77 -0.40 3.74 1.99 0.00 -0.89 0.09 105.19 110.49 2guk n GLY 67 Ca -0.19 -1.30 -0.38 0.00 0.00 0.00 0.00 46.02 44.15 2guk n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2guk h LYS 69 N 1.04 0.83 -0.76 0.00 3.64 -1.92 -2.49 116.57 116.91 2guk h LYS 69 Ca -0.51 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 58.89 2guk h LYS 69 Cb 1.32 -0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 32.89 2guk h LYS 69 CO 0.55 0.55 0.44 0.93 -2.27 0.00 0.00 179.45 179.65 2guk h GLU 70 N 0.85 0.76 -2.01 1.90 3.07 -1.99 -0.79 114.58 116.38 2guk h GLU 70 Ca 0.40 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.21 2guk h GLU 70 Cb 0.32 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 28.05 2guk h GLU 70 CO -0.23 0.50 -0.01 0.00 -1.40 0.00 0.00 179.01 177.88 2guk n GLU 73 N 1.61 0.00 -0.08 0.00 0.00 -0.30 -0.77 120.64 121.10 2guk n GLU 73 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.09 2guk n GLU 73 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.87 2guk n GLU 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2guk h ALA 74 N 0.00 0.36 0.00 4.31 0.00 -1.51 -2.32 119.26 120.10 2guk h ALA 74 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2guk h ALA 74 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2guk h ALA 74 CO 0.00 -0.21 0.00 1.51 0.00 0.00 0.00 179.25 180.55 2guk n ILE 75 N -4.93 0.00 -0.09 0.00 3.06 0.05 -1.66 119.36 115.79 2guk n ILE 75 Ca -0.01 0.00 -0.11 0.00 -2.50 0.00 0.00 62.75 60.13 2guk n ILE 75 Cb 0.05 -0.27 -0.15 0.00 0.54 0.00 0.00 39.64 39.81 2guk n ILE 75 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2guk n ARG 76 N -0.62 0.68 0.02 9.51 1.74 -0.88 -3.45 116.66 123.66 2guk n ARG 76 Ca 0.04 0.05 0.11 0.00 -0.77 0.00 0.00 57.85 57.28 2guk n ARG 76 Cb 0.02 -1.55 0.47 0.00 -1.02 0.00 0.00 32.46 30.37 2guk n ARG 76 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2guk n LEU 77 N -2.86 0.13 0.00 0.55 4.77 -0.67 -3.48 117.00 115.45 2guk n LEU 77 Ca -0.33 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2guk n LEU 77 Cb 1.12 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 2guk n LEU 77 CO 0.41 -0.16 0.00 2.22 -1.33 0.00 0.00 177.39 178.53 2guk n PHE 78 N -1.63 0.00 0.04 -1.77 -1.74 -1.24 -4.87 117.46 106.24 2guk n PHE 78 Ca 0.05 0.00 0.07 0.00 -0.56 0.00 0.00 57.45 57.01 2guk n PHE 78 Cb 0.27 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.20 2guk n PHE 78 CO 0.00 0.00 0.00 0.28 -0.56 0.00 0.00 176.76 176.48 2guk n VAL 79 N 0.00 0.64 -1.66 1.97 0.31 -1.22 -4.82 118.33 113.55 2guk n VAL 79 Ca 0.00 -0.59 -0.51 0.00 -0.01 0.00 0.00 64.34 63.23 2guk n VAL 79 Cb 0.00 -0.35 -0.06 0.00 -0.91 0.00 0.00 33.84 32.52 2guk n VAL 79 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2guk n SER 80 N -2.62 3.00 -0.47 4.52 7.64 -1.23 -1.95 113.62 122.51 2guk n SER 80 Ca -0.06 0.92 -0.06 0.00 1.01 0.00 0.00 58.87 60.69 2guk n SER 80 Cb 0.67 -1.30 -0.03 0.00 -1.01 0.00 0.00 64.21 62.54 2guk n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2guk n GLY 81 N 4.62 0.80 3.48 0.23 0.00 -1.26 -5.01 105.19 108.06 2guk n GLY 81 Ca 0.26 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 2guk n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2guk s ARG 82 N -2.11 1.71 0.23 1.61 0.52 -0.82 -5.14 118.95 114.94 2guk s ARG 82 Ca 0.00 -1.70 -0.25 0.00 -0.52 0.00 0.00 55.73 53.25 2guk s ARG 82 Cb 0.00 -1.81 -0.09 0.00 0.52 0.00 0.00 34.95 33.57 2guk s ARG 82 CO 0.00 0.34 0.84 0.45 0.02 0.00 0.00 175.30 176.95 2guk s SER 83 N -3.40 7.37 0.46 0.23 0.15 -1.26 -4.98 113.70 112.27 2guk s SER 83 Ca 0.29 1.71 0.24 0.00 0.70 0.00 0.00 55.95 58.89 2guk s SER 83 Cb -0.06 -2.52 1.09 0.00 -1.71 0.00 0.00 66.02 62.82 2guk s SER 83 CO 0.15 0.10 1.91 -0.07 1.20 0.00 0.00 173.24 176.52 2guk h LEU 84 N 3.84 0.00 -0.49 3.45 3.38 -2.00 -2.39 115.31 121.10 2guk h LEU 84 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2guk h LEU 84 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2guk h LEU 84 CO 0.66 0.21 0.00 -0.46 0.09 0.00 0.00 178.44 178.94 2guk n ASN 85 N -3.51 0.75 -1.18 -0.43 0.23 -1.26 -3.45 115.26 106.41 2guk n ASN 85 Ca -0.01 -1.35 0.08 0.00 -0.53 0.00 0.00 54.58 52.77 2guk n ASN 85 Cb 0.37 -0.02 0.28 0.00 -2.08 0.00 0.00 39.78 38.33 2guk n ASN 85 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2guk n SER 86 N -0.37 4.12 -4.79 0.53 3.41 -0.90 -5.01 113.62 110.61 2guk n SER 86 Ca 0.19 -2.50 -0.36 0.00 -0.26 0.00 0.00 58.87 55.94 2guk n SER 86 Cb 0.22 -0.49 -0.06 0.00 -0.26 0.00 0.00 64.21 63.62 2guk n SER 86 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2guk s LEU 87 N -1.91 4.25 0.90 1.04 1.43 -1.22 -4.98 118.68 118.18 2guk s LEU 87 Ca 0.42 1.84 -0.11 0.00 -1.03 0.00 0.00 54.13 55.25 2guk s LEU 87 Cb 0.28 -4.12 0.13 0.00 0.03 0.00 0.00 46.19 42.52 2guk s LEU 87 CO 0.18 -0.17 1.09 0.42 0.23 0.00 0.00 176.35 178.10 2guk s THR 88 N -1.71 2.64 0.43 5.49 -4.23 -1.26 -4.75 115.64 112.25 2guk s THR 88 Ca 0.53 0.21 0.09 0.00 -1.18 0.00 0.00 61.69 61.34 2guk s THR 88 Cb -0.18 -2.57 0.27 0.00 1.34 0.00 0.00 72.50 71.37 2guk s THR 88 CO 0.23 -0.27 2.07 -0.65 -0.54 0.00 0.00 174.62 175.45 2guk h PRO 89 N -1.62 0.42 -0.30 3.99 0.11 -1.96 0.04 132.00 132.68 2guk h PRO 89 Ca -0.48 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 2guk h PRO 89 Cb 1.27 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2guk h PRO 89 CO 0.51 0.28 0.08 0.93 -0.21 0.00 0.00 178.00 179.59 2guk h GLU 90 N 0.44 0.47 -0.39 1.05 3.07 -1.96 -1.87 114.58 115.39 2guk h GLU 90 Ca 0.14 -0.11 -0.08 0.00 -0.50 0.00 0.00 59.36 58.80 2guk h GLU 90 Cb 0.01 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 2guk h GLU 90 CO -0.03 0.53 -0.11 0.93 -1.40 0.00 0.00 179.01 178.94 2guk h GLU 91 N 0.32 0.68 -0.24 2.33 5.08 -1.66 -1.72 114.58 119.37 2guk h GLU 91 Ca 0.10 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2guk h GLU 91 Cb 0.27 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2guk h GLU 91 CO -0.00 0.77 0.03 -0.44 -1.00 0.00 0.00 179.01 178.38 2guk h ASP 92 N 0.62 0.39 -0.38 1.42 3.32 -0.98 -0.51 116.42 120.31 2guk h ASP 92 Ca 0.11 -0.27 0.08 0.00 0.02 0.00 0.00 57.03 56.97 2guk h ASP 92 Cb 0.55 -0.10 -0.09 0.00 0.22 0.00 0.00 39.33 39.91 2guk h ASP 92 CO 0.03 0.56 -0.25 0.15 -1.72 0.00 0.00 179.24 178.02 2guk h PHE 93 N 0.20 -0.65 0.06 4.55 3.04 -1.15 -0.74 116.94 122.25 2guk h PHE 93 Ca 0.07 0.05 0.03 0.00 3.98 0.00 0.00 57.97 62.10 2guk h PHE 93 Cb 0.34 0.34 -0.04 0.00 2.56 0.00 0.00 35.95 39.15 2guk h PHE 93 CO 0.02 -0.32 -0.28 0.82 -2.02 0.00 0.00 178.31 176.53 2guk h ILE 94 N -0.19 0.38 -0.00 1.41 2.04 -1.13 0.10 117.51 120.12 2guk h ILE 94 Ca 0.18 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.07 2guk h ILE 94 Cb 0.47 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 2guk h ILE 94 CO -0.49 0.00 -0.26 0.40 0.00 0.00 0.00 178.15 177.81 2guk h ILE 95 N -0.46 0.41 -0.78 -0.67 1.08 -0.79 -1.83 117.51 114.48 2guk h ILE 95 Ca 0.05 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.63 2guk h ILE 95 Cb 0.52 0.41 -0.08 0.00 -3.07 0.00 0.00 36.82 34.60 2guk h ILE 95 CO -0.20 0.00 0.39 1.23 -0.69 0.00 0.00 178.15 178.88 2guk h GLY 96 N -0.40 1.21 -1.81 5.37 0.00 -1.01 -1.80 103.07 104.63 2guk h GLY 96 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2guk h GLY 96 CO -0.23 0.02 0.00 0.00 0.00 0.00 0.00 176.54 176.33 2guk n ALA 97 N -2.42 1.55 0.00 3.60 0.00 0.01 -1.46 120.51 121.79 2guk n ALA 97 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2guk n ALA 97 Cb 0.34 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.79 2guk n ALA 97 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2guk n LEU 99 N 0.84 0.00 0.00 0.00 4.32 -0.68 -4.17 117.00 117.30 2guk n LEU 99 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2guk n LEU 99 Cb 0.06 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.86 2guk n LEU 99 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 2guk n GLY 100 N 0.16 0.79 3.76 -0.72 0.00 -1.02 -4.81 105.19 103.34 2guk n GLY 100 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2guk n GLY 100 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2guk s TYR 101 N -2.17 2.45 0.32 1.61 4.12 -0.54 -4.93 117.35 118.21 2guk s TYR 101 Ca 0.00 1.52 -0.29 0.00 0.02 0.00 0.00 57.07 58.31 2guk s TYR 101 Cb 0.00 -3.45 -0.11 0.00 -1.52 0.00 0.00 41.96 36.88 2guk s TYR 101 CO 0.00 -2.09 1.57 -3.47 0.02 0.00 0.00 175.55 171.58 2guk n ASP 102 N -1.50 3.88 -0.07 2.29 2.03 -1.26 -4.69 116.55 117.23 2guk n ASP 102 Ca 0.13 1.17 -0.15 0.00 0.52 0.00 0.00 54.79 56.46 2guk n ASP 102 Cb 0.50 -1.61 -0.05 0.00 -0.72 0.00 0.00 41.12 39.24 2guk n ASP 102 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2guk h ILE 103 N 3.25 1.30 -0.55 5.18 1.08 -1.98 -1.57 117.51 124.23 2guk h ILE 103 Ca -0.48 -1.65 -0.02 0.00 -0.39 0.00 0.00 64.86 62.32 2guk h ILE 103 Cb 1.23 1.73 -0.03 0.00 -3.07 0.00 0.00 36.82 36.68 2guk h ILE 103 CO 0.75 0.52 0.26 0.00 -0.69 0.00 0.00 178.15 179.00 2guk h ARG 105 N 0.74 0.19 -0.22 0.00 9.65 -1.94 0.16 114.38 122.96 2guk h ARG 105 Ca 0.19 -0.01 -0.15 0.00 -1.10 0.00 0.00 59.98 58.91 2guk h ARG 105 Cb 0.12 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 2guk h ARG 105 CO -0.02 0.13 -0.46 1.96 2.80 0.00 0.00 179.97 184.37 2guk h GLN 106 N 0.20 0.58 -0.78 0.20 1.08 -0.13 -1.01 115.11 115.24 2guk h GLN 106 Ca 0.39 -0.32 -0.04 0.00 -1.45 0.00 0.00 58.65 57.22 2guk h GLN 106 Cb 0.65 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.07 2guk h GLN 106 CO -0.54 0.92 0.32 0.00 -0.95 0.00 0.00 178.83 178.58 2guk h GLU 108 N 1.13 0.60 -0.80 0.00 4.81 -0.08 -2.21 114.58 118.02 2guk h GLU 108 Ca 0.26 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2guk h GLU 108 Cb 0.20 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 2guk h GLU 108 CO -0.02 0.68 0.41 0.00 -0.73 0.00 0.00 179.01 179.35 2guk h ARG 109 N 0.43 1.13 0.07 1.92 3.08 -1.08 -1.03 114.38 118.90 2guk h ARG 109 Ca 0.11 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2guk h ARG 109 Cb 0.38 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2guk h ARG 109 CO 0.01 0.84 -0.03 -0.92 -1.07 0.00 0.00 179.97 178.80 2guk h TYR 110 N 1.13 -0.09 -0.99 3.04 5.03 -1.10 0.12 116.97 124.11 2guk h TYR 110 Ca 0.28 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.64 2guk h TYR 110 Cb 0.06 0.03 -0.06 0.00 1.55 0.00 0.00 36.73 38.31 2guk h TYR 110 CO 0.01 0.12 0.64 0.00 -1.32 0.00 0.00 178.16 177.61 2guk h ARG 112 N 1.19 0.81 -0.61 0.00 2.43 -0.87 0.52 114.38 117.86 2guk h ARG 112 Ca 0.42 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2guk h ARG 112 Cb 0.11 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 2guk h ARG 112 CO -0.16 0.77 0.37 0.00 -1.51 0.00 0.00 179.97 179.44 2guk h ARG 113 N 0.71 0.82 -0.10 0.20 2.47 -0.09 1.54 114.38 119.94 2guk h ARG 113 Ca 0.16 -0.07 -0.11 0.00 -1.26 0.00 0.00 59.98 58.70 2guk h ARG 113 Cb 0.30 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 2guk h ARG 113 CO -0.00 0.58 -0.43 0.87 0.56 0.00 0.00 179.97 181.55 2guk h LYS 114 N 0.82 0.22 0.06 0.04 1.79 -0.65 -3.15 116.57 115.71 2guk h LYS 114 Ca 0.22 -0.11 -0.29 0.00 -2.18 0.00 0.00 60.65 58.29 2guk h LYS 114 Cb -0.03 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 2guk h LYS 114 CO -0.04 0.62 -1.55 0.66 -1.08 0.00 0.00 179.45 178.06 2guk h SER 115 N 0.19 0.20 0.33 0.86 4.64 0.28 -3.37 113.55 116.67 2guk h SER 115 Ca 0.01 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 60.62 2guk h SER 115 Cb 0.84 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2guk h SER 115 CO 0.07 1.64 0.00 0.59 -0.87 0.00 0.00 176.83 178.26 2guk n ASN 116 N -4.02 0.00 -0.28 4.97 5.03 0.53 -5.06 115.26 116.43 2guk n ASN 116 Ca -0.31 0.45 0.04 0.00 0.87 0.00 0.00 54.58 55.62 2guk n ASN 116 Cb 0.84 -0.47 0.03 0.00 -1.02 0.00 0.00 39.78 39.16 2guk n ASN 116 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19