#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klg n GLN 2 N 0.00 0.64 -4.27 3.17 6.02 -1.24 -5.00 117.38 116.69 2klg n GLN 2 Ca 0.00 0.14 -0.17 0.00 -0.01 0.00 0.00 57.00 56.96 2klg n GLN 2 Cb 0.00 -1.71 -0.09 0.00 1.02 0.00 0.00 30.24 29.46 2klg n GLN 2 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 2klg s ILE 3 N -2.83 0.11 -0.30 5.09 -4.36 -1.25 -1.04 121.20 116.62 2klg s ILE 3 Ca -0.05 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.36 2klg s ILE 3 Cb 0.08 -2.50 0.07 0.00 1.25 0.00 0.00 42.46 41.36 2klg s ILE 3 CO 0.83 0.00 -0.03 -0.36 0.24 0.00 0.00 174.94 175.62 2klg s PHE 4 N -3.73 3.43 0.08 1.37 0.40 -1.26 -4.59 117.98 113.67 2klg s PHE 4 Ca 0.38 -2.47 -0.01 0.00 -0.60 0.00 0.00 56.93 54.24 2klg s PHE 4 Cb 0.05 -2.32 -0.04 0.00 0.51 0.00 0.00 43.02 41.22 2klg s PHE 4 CO 0.19 -0.89 0.24 0.08 0.70 0.00 0.00 175.22 175.54 2klg s VAL 5 N 1.07 5.35 -0.19 -0.44 1.01 -1.26 -4.47 120.40 121.47 2klg s VAL 5 Ca -0.02 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 2klg s VAL 5 Cb -0.20 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 2klg s VAL 5 CO -0.05 0.11 0.01 -0.54 0.00 0.00 0.00 175.10 174.64 2klg s LYS 6 N -2.56 3.75 0.00 2.72 1.02 -1.26 -4.48 119.74 118.92 2klg s LYS 6 Ca 0.36 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 55.89 2klg s LYS 6 Cb -0.13 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 2klg s LYS 6 CO 0.27 0.14 0.00 0.25 -0.92 0.00 0.00 175.35 175.10 2klg n THR 7 N 3.87 0.00 -0.19 2.17 -2.24 -1.26 -4.57 114.28 112.06 2klg n THR 7 Ca -0.17 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.51 2klg n THR 7 Cb 0.52 -1.04 0.01 0.00 -2.10 0.00 0.00 70.33 67.72 2klg n THR 7 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 2klg h LEU 8 N 0.00 1.01 -3.99 3.22 -0.00 -1.94 -3.16 115.31 110.45 2klg h LEU 8 Ca 0.00 -0.33 -0.62 0.00 -0.00 0.00 0.00 57.88 56.93 2klg h LEU 8 Cb 0.00 -0.27 -0.37 0.00 -0.00 0.00 0.00 40.66 40.02 2klg h LEU 8 CO 0.00 1.10 -0.05 0.35 -0.00 0.00 0.00 178.44 179.84 2klg n THR 9 N -4.19 3.00 -4.15 0.15 -2.24 -1.26 -4.92 114.28 100.67 2klg n THR 9 Ca 0.02 -3.80 -0.34 0.00 -2.27 0.00 0.00 64.05 57.66 2klg n THR 9 Cb 0.37 -1.16 -0.02 0.00 -2.10 0.00 0.00 70.33 67.42 2klg n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2klg n GLY 10 N -0.76 -0.39 3.90 3.38 0.00 -1.20 -4.94 105.19 105.18 2klg n GLY 10 Ca 0.51 0.14 -0.28 0.00 0.00 0.00 0.00 46.02 46.39 2klg n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2klg s LYS 11 N -6.85 3.13 -0.29 1.61 1.02 -1.26 -4.86 119.74 112.25 2klg s LYS 11 Ca 0.56 0.25 -0.10 0.00 0.02 0.00 0.00 55.97 56.70 2klg s LYS 11 Cb -0.30 -2.21 -0.03 0.00 -0.52 0.00 0.00 37.83 34.77 2klg s LYS 11 CO 0.92 -0.65 0.15 0.99 -0.92 0.00 0.00 175.35 175.84 2klg s THR 12 N -3.05 4.81 0.20 2.17 2.01 -1.26 -4.03 115.64 116.49 2klg s THR 12 Ca 0.54 -0.16 0.09 0.00 0.31 0.00 0.00 61.69 62.46 2klg s THR 12 Cb -0.11 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 69.01 2klg s THR 12 CO 0.48 0.19 -0.17 0.27 -0.69 0.00 0.00 174.62 174.70 2klg s ILE 13 N 1.67 1.86 -0.21 1.82 -5.25 -1.26 -5.12 121.20 114.72 2klg s ILE 13 Ca 0.06 -2.12 -0.09 0.00 -0.99 0.00 0.00 60.65 57.50 2klg s ILE 13 Cb -0.16 -2.00 -0.05 0.00 2.95 0.00 0.00 42.46 43.20 2klg s ILE 13 CO 0.07 -0.46 0.12 0.42 -1.79 0.00 0.00 174.94 173.30 2klg s THR 14 N -2.56 5.20 0.02 8.37 -4.23 -1.26 -4.32 115.64 116.86 2klg s THR 14 Ca 0.21 0.12 0.04 0.00 -1.18 0.00 0.00 61.69 60.87 2klg s THR 14 Cb -0.03 -3.38 -0.02 0.00 1.34 0.00 0.00 72.50 70.41 2klg s THR 14 CO 0.08 0.42 -0.11 -0.22 -0.54 0.00 0.00 174.62 174.25 2klg s LEU 15 N 0.57 2.14 0.28 4.79 1.98 -1.26 -4.80 118.68 122.38 2klg s LEU 15 Ca 0.06 -0.37 0.06 0.00 -2.89 0.00 0.00 54.13 50.99 2klg s LEU 15 Cb -0.12 -0.47 -0.02 0.00 0.66 0.00 0.00 46.19 46.24 2klg s LEU 15 CO 0.00 0.01 0.40 -0.70 -1.89 0.00 0.00 176.35 174.17 2klg s GLU 16 N -0.91 3.26 -0.28 1.98 2.12 -1.26 -3.74 118.70 119.88 2klg s GLU 16 Ca 0.00 -0.90 -0.00 0.00 0.36 0.00 0.00 54.97 54.43 2klg s GLU 16 Cb -0.07 -2.83 0.08 0.00 0.26 0.00 0.00 34.13 31.57 2klg s GLU 16 CO 0.01 0.26 0.05 0.08 -0.54 0.00 0.00 175.26 175.12 2klg s VAL 17 N -2.08 1.08 0.20 3.70 1.01 -1.26 -5.03 120.40 118.02 2klg s VAL 17 Ca 0.39 -1.30 0.05 0.00 0.00 0.00 0.00 61.98 61.12 2klg s VAL 17 Cb -0.09 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2klg s VAL 17 CO 0.30 -0.47 0.22 -1.83 0.00 0.00 0.00 175.10 173.32 2klg s GLU 18 N 1.55 3.10 0.13 2.72 -1.05 -1.26 -4.84 118.70 119.05 2klg s GLU 18 Ca 0.05 -0.86 -0.29 0.00 -0.15 0.00 0.00 54.97 53.72 2klg s GLU 18 Cb -0.18 -2.72 -0.06 0.00 -0.44 0.00 0.00 34.13 30.73 2klg s GLU 18 CO -0.16 0.46 1.58 -1.00 0.95 0.00 0.00 175.26 177.08 2klg h PRO 19 N 1.87 -0.48 -1.31 -4.83 0.13 -2.00 -1.70 132.00 123.68 2klg h PRO 19 Ca -0.49 0.03 -0.32 0.00 -0.87 0.00 0.00 66.00 64.35 2klg h PRO 19 Cb 1.22 0.11 -0.15 0.00 0.13 0.00 0.00 31.00 32.30 2klg h PRO 19 CO 0.63 -0.32 0.41 0.45 -0.23 0.00 0.00 178.00 178.94 2klg n SER 20 N -5.44 5.43 -4.59 1.44 2.88 -1.26 -4.80 113.62 107.28 2klg n SER 20 Ca -0.04 -3.02 -0.42 0.00 -1.33 0.00 0.00 58.87 54.06 2klg n SER 20 Cb 0.36 -0.92 -0.02 0.00 -0.75 0.00 0.00 64.21 62.88 2klg n SER 20 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2klg s ASP 21 N -0.05 6.19 0.48 -3.46 -1.08 -0.64 -5.00 116.67 113.11 2klg s ASP 21 Ca 0.32 0.57 -0.09 0.00 -0.52 0.00 0.00 52.55 52.83 2klg s ASP 21 Cb 0.26 -2.54 -0.05 0.00 -1.46 0.00 0.00 42.92 39.13 2klg s ASP 21 CO 0.02 -1.60 0.84 -0.89 0.52 0.00 0.00 175.17 174.05 2klg s THR 22 N 5.90 4.81 0.31 1.71 2.01 -1.26 -2.88 115.64 126.24 2klg s THR 22 Ca 0.58 0.51 0.04 0.00 0.31 0.00 0.00 61.69 63.13 2klg s THR 22 Cb -0.12 -3.82 0.11 0.00 0.01 0.00 0.00 72.50 68.68 2klg s THR 22 CO 0.29 -0.79 1.79 0.40 -0.69 0.00 0.00 174.62 175.62 2klg h ILE 23 N 0.45 1.23 -0.01 1.82 2.04 -1.55 -2.78 117.51 118.71 2klg h ILE 23 Ca -0.46 -1.05 -0.19 0.00 1.00 0.00 0.00 64.86 64.16 2klg h ILE 23 Cb 1.20 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 2klg h ILE 23 CO 0.62 0.34 -0.84 -0.08 0.00 0.00 0.00 178.15 178.19 2klg h GLU 24 N 0.45 0.25 -0.69 2.37 4.81 -1.82 -3.25 114.58 116.69 2klg h GLU 24 Ca 0.08 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 59.03 2klg h GLU 24 Cb 0.51 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 2klg h GLU 24 CO 0.03 0.95 0.31 -0.91 -0.73 0.00 0.00 179.01 178.66 2klg h ASN 25 N 0.15 0.93 0.32 1.04 4.21 -1.89 -2.18 115.58 118.16 2klg h ASN 25 Ca -0.04 -0.15 -0.01 0.00 1.21 0.00 0.00 56.30 57.30 2klg h ASN 25 Cb 1.45 -0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 38.41 2klg h ASN 25 CO 0.13 0.82 -0.07 -0.37 -1.29 0.00 0.00 177.43 176.66 2klg h VAL 26 N 0.98 0.40 -0.80 2.81 -1.51 -1.54 -2.67 116.25 113.92 2klg h VAL 26 Ca 0.23 -0.36 0.10 0.00 -1.23 0.00 0.00 66.70 65.45 2klg h VAL 26 Cb 0.16 1.25 -0.06 0.00 -2.13 0.00 0.00 31.29 30.52 2klg h VAL 26 CO -0.02 0.07 0.52 0.50 -1.23 0.00 0.00 177.57 177.40 2klg h LYS 27 N 0.00 0.68 -0.53 5.19 3.64 -1.44 -1.78 116.57 122.34 2klg h LYS 27 Ca -0.00 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 2klg h LYS 27 Cb 0.25 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 2klg h LYS 27 CO 0.01 0.45 0.29 0.00 -2.27 0.00 0.00 179.45 177.93 2klg h ALA 28 N 1.60 0.68 -0.58 5.00 0.00 -1.60 0.86 119.26 125.22 2klg h ALA 28 Ca 0.37 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 2klg h ALA 28 Cb 0.50 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2klg h ALA 28 CO -0.15 -0.03 0.19 0.87 0.00 0.00 0.00 179.25 180.13 2klg h LYS 29 N 0.57 0.90 0.00 0.00 1.57 -1.51 -2.75 116.57 115.34 2klg h LYS 29 Ca 0.23 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 2klg h LYS 29 Cb 0.09 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2klg h LYS 29 CO -0.13 0.80 -0.56 0.82 -0.57 0.00 0.00 179.45 179.81 2klg h ILE 30 N 0.82 1.15 0.00 1.86 1.08 -1.05 -3.11 117.51 118.25 2klg h ILE 30 Ca 0.19 -2.11 0.00 0.00 -0.39 0.00 0.00 64.86 62.54 2klg h ILE 30 Cb 0.27 2.23 0.00 0.00 -3.07 0.00 0.00 36.82 36.25 2klg h ILE 30 CO -0.01 0.55 0.00 -0.61 -0.69 0.00 0.00 178.15 177.39 2klg h GLN 31 N 0.00 0.00 -0.97 2.37 4.15 0.10 -3.05 115.11 117.71 2klg h GLN 31 Ca -0.01 0.00 0.26 0.00 0.77 0.00 0.00 58.65 59.67 2klg h GLN 31 Cb 1.18 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.81 2klg h GLN 31 CO 0.07 0.00 0.67 0.22 -1.93 0.00 0.00 178.83 177.86 2klg h ASP 32 N 0.00 0.20 0.70 -0.69 1.82 -1.50 0.14 116.42 117.10 2klg h ASP 32 Ca 0.00 0.03 -0.26 0.00 -0.39 0.00 0.00 57.03 56.41 2klg h ASP 32 Cb 0.22 -0.01 -0.04 0.00 0.68 0.00 0.00 39.33 40.18 2klg h ASP 32 CO 0.00 0.06 -1.40 0.07 -1.61 0.00 0.00 179.24 176.36 2klg h LYS 33 N 0.19 0.02 -1.65 0.28 2.10 -1.80 -3.48 116.57 112.24 2klg h LYS 33 Ca 0.49 -0.04 -0.31 0.00 -2.00 0.00 0.00 60.65 58.79 2klg h LYS 33 Cb 1.61 0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 32.90 2klg h LYS 33 CO -0.11 0.77 -0.35 0.39 -2.00 0.00 0.00 179.45 178.14 2klg n GLU 34 N -3.21 -1.17 -0.05 0.07 4.71 0.50 -4.88 120.64 116.60 2klg n GLU 34 Ca -0.10 0.86 -0.11 0.00 -0.01 0.00 0.00 57.16 57.80 2klg n GLU 34 Cb 1.00 -5.14 -0.04 0.00 -1.01 0.00 0.00 31.44 26.25 2klg n GLU 34 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2klg n GLY 35 N -1.04 -0.17 0.12 0.62 0.00 -1.26 -4.77 105.19 98.69 2klg n GLY 35 Ca -0.17 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 45.81 2klg n GLY 35 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2klg h ILE 36 N -0.33 0.65 -0.98 -0.61 2.10 -1.90 -3.37 117.51 113.08 2klg h ILE 36 Ca -0.27 -2.02 0.33 0.00 1.08 0.00 0.00 64.86 63.98 2klg h ILE 36 Cb 1.27 2.21 -0.16 0.00 -1.09 0.00 0.00 36.82 39.05 2klg h ILE 36 CO -0.15 0.37 0.43 -0.65 -1.08 0.00 0.00 178.15 177.07 2klg h PRO 37 N 0.00 0.16 0.00 2.19 0.11 -1.86 0.19 132.00 132.79 2klg h PRO 37 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2klg h PRO 37 Cb 1.42 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.49 2klg h PRO 37 CO 0.05 0.11 0.00 -2.30 -0.21 0.00 0.00 178.00 175.65 2klg n PRO 38 N -5.20 2.81 0.00 1.05 -0.02 -1.26 -4.29 135.00 128.09 2klg n PRO 38 Ca 0.30 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.85 2klg n PRO 38 Cb 0.99 0.00 0.33 0.00 -0.02 0.00 0.00 33.50 34.80 2klg n PRO 38 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2klg n ASP 39 N 0.00 0.00 -0.29 2.55 9.92 -1.26 -2.32 116.55 125.14 2klg n ASP 39 Ca 0.00 -0.04 0.13 0.00 -0.53 0.00 0.00 54.79 54.36 2klg n ASP 39 Cb 0.00 -0.20 0.40 0.00 -0.64 0.00 0.00 41.12 40.68 2klg n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2klg n GLN 40 N -1.20 1.00 -3.07 -1.24 6.02 -1.23 -0.46 117.38 117.19 2klg n GLN 40 Ca 0.07 -0.59 -0.45 0.00 -0.01 0.00 0.00 57.00 56.02 2klg n GLN 40 Cb 0.08 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.83 2klg n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2klg s GLN 41 N -2.41 3.62 0.02 -1.09 -1.52 0.65 -3.68 119.66 115.25 2klg s GLN 41 Ca 0.27 -2.04 -0.06 0.00 -1.95 0.00 0.00 55.36 51.58 2klg s GLN 41 Cb 0.20 -4.75 -0.01 0.00 -0.22 0.00 0.00 33.01 28.23 2klg s GLN 41 CO 0.49 -1.60 0.11 0.50 -0.25 0.00 0.00 175.29 174.53 2klg s ARG 42 N 1.75 0.51 -0.04 2.91 3.00 -0.39 -4.63 118.95 122.06 2klg s ARG 42 Ca 0.28 -0.56 0.00 0.00 -1.00 0.00 0.00 55.73 54.45 2klg s ARG 42 Cb -0.07 0.21 -0.03 0.00 0.00 0.00 0.00 34.95 35.06 2klg s ARG 42 CO -0.09 -0.12 -0.01 -1.17 0.00 0.00 0.00 175.30 173.90 2klg s LEU 43 N -1.69 3.48 -0.81 -0.88 2.96 -1.26 0.11 118.68 120.58 2klg s LEU 43 Ca -0.11 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 2klg s LEU 43 Cb -0.05 -1.90 0.30 0.00 0.50 0.00 0.00 46.19 45.04 2klg s LEU 43 CO -0.01 0.33 1.19 0.00 -1.32 0.00 0.00 176.35 176.54 2klg n ILE 44 N 1.78 4.02 -3.69 6.68 3.06 -0.77 -4.64 119.36 125.79 2klg n ILE 44 Ca -0.16 -5.64 -0.10 0.00 -2.50 0.00 0.00 62.75 54.34 2klg n ILE 44 Cb 0.53 -1.83 -0.11 0.00 0.54 0.00 0.00 39.64 38.77 2klg n ILE 44 CO 0.00 0.00 0.00 0.12 -2.50 0.00 0.00 176.55 174.17 2klg s PHE 45 N -3.15 -0.60 -1.73 9.51 5.36 -1.26 -4.79 117.98 121.33 2klg s PHE 45 Ca 0.40 1.26 -0.01 0.00 -0.96 0.00 0.00 56.93 57.61 2klg s PHE 45 Cb 0.16 0.24 0.00 0.00 -0.34 0.00 0.00 43.02 43.08 2klg s PHE 45 CO -0.03 -0.36 0.17 0.00 -1.46 0.00 0.00 175.22 173.54 2klg n ALA 46 N 4.51 -0.72 -4.17 11.12 0.00 -1.26 -2.50 120.51 127.49 2klg n ALA 46 Ca -0.20 0.20 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 2klg n ALA 46 Cb 0.54 -2.67 -0.04 0.00 0.00 0.00 0.00 19.45 17.28 2klg n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2klg n GLY 47 N -1.16 -0.44 3.63 0.00 0.00 -1.26 -4.93 105.19 101.03 2klg n GLY 47 Ca -0.21 0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 2klg n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2klg s LYS 48 N -6.87 2.61 0.71 1.61 1.02 -1.04 -5.13 119.74 112.65 2klg s LYS 48 Ca 0.72 -0.72 -0.04 0.00 0.02 0.00 0.00 55.97 55.96 2klg s LYS 48 Cb -0.40 -2.55 0.10 0.00 -0.52 0.00 0.00 37.83 34.46 2klg s LYS 48 CO 0.89 0.60 1.00 1.14 -0.92 0.00 0.00 175.35 178.05 2klg s GLN 49 N -1.62 1.84 0.07 1.68 -2.07 -1.26 -4.44 119.66 113.85 2klg s GLN 49 Ca 0.19 -0.75 -0.09 0.00 -1.82 0.00 0.00 55.36 52.89 2klg s GLN 49 Cb -0.11 -2.26 -0.28 0.00 -1.09 0.00 0.00 33.01 29.26 2klg s GLN 49 CO 0.10 -1.38 1.12 1.25 -1.32 0.00 0.00 175.29 175.06 2klg h LEU 50 N -0.57 0.62 -1.24 2.60 7.12 -1.88 -3.26 115.31 118.70 2klg h LEU 50 Ca -0.40 -0.63 0.00 0.00 0.13 0.00 0.00 57.88 56.97 2klg h LEU 50 Cb 1.28 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 41.21 2klg h LEU 50 CO 0.47 1.48 0.00 -1.84 -0.13 0.00 0.00 178.44 178.42 2klg n GLU 51 N -3.65 1.79 -0.33 1.25 0.00 -1.26 -4.36 120.64 114.08 2klg n GLU 51 Ca -0.11 -1.22 0.18 0.00 0.00 0.00 0.00 57.16 56.01 2klg n GLU 51 Cb 1.02 -1.30 0.38 0.00 0.00 0.00 0.00 31.44 31.54 2klg n GLU 51 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 2klg h ASP 52 N 2.06 0.50 0.00 -1.84 3.58 -1.96 -3.46 116.42 115.30 2klg h ASP 52 Ca 0.00 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2klg h ASP 52 Cb 0.47 0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2klg h ASP 52 CO 0.00 -0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2klg n GLY 53 N -1.32 1.03 3.93 -0.78 0.00 -1.26 -5.08 105.19 101.70 2klg n GLY 53 Ca 0.26 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 2klg n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2klg s ARG 54 N -1.22 2.30 -0.19 1.61 1.81 -1.26 -4.91 118.95 117.10 2klg s ARG 54 Ca 0.00 -1.87 -0.10 0.00 -1.72 0.00 0.00 55.73 52.04 2klg s ARG 54 Cb 0.00 -2.25 -0.05 0.00 -0.45 0.00 0.00 34.95 32.20 2klg s ARG 54 CO 0.00 -0.60 0.15 0.99 -0.68 0.00 0.00 175.30 175.16 2klg s THR 55 N -2.71 5.40 0.48 0.02 2.01 -1.26 -1.39 115.64 118.19 2klg s THR 55 Ca 0.42 0.24 0.25 0.00 0.31 0.00 0.00 61.69 62.91 2klg s THR 55 Cb -0.03 -3.49 0.44 0.00 0.01 0.00 0.00 72.50 69.43 2klg s THR 55 CO 0.26 0.45 1.87 0.17 -0.69 0.00 0.00 174.62 176.67 2klg h LEU 56 N 6.53 0.19 -2.10 4.42 8.10 -1.84 0.37 115.31 130.98 2klg h LEU 56 Ca -0.42 0.02 -0.01 0.00 0.11 0.00 0.00 57.88 57.58 2klg h LEU 56 Cb 1.16 -0.01 -0.00 0.00 -0.44 0.00 0.00 40.66 41.37 2klg h LEU 56 CO 0.75 0.07 -0.05 -1.28 -4.11 0.00 0.00 178.44 173.81 2klg h SER 57 N 0.19 0.00 -0.63 0.17 0.87 -1.78 -2.32 113.55 110.04 2klg h SER 57 Ca 0.46 0.00 0.18 0.00 -1.23 0.00 0.00 61.79 61.20 2klg h SER 57 Cb 1.49 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.42 2klg h SER 57 CO -0.10 0.05 0.45 -2.24 -0.53 0.00 0.00 176.83 174.47 2klg h ASP 58 N 0.00 0.02 -0.82 6.23 3.04 -0.63 -0.01 116.42 124.25 2klg h ASP 58 Ca -0.00 0.00 -0.54 0.00 -3.24 0.00 0.00 57.03 53.25 2klg h ASP 58 Cb 0.12 -0.00 -0.30 0.00 -1.04 0.00 0.00 39.33 38.11 2klg h ASP 58 CO 0.01 0.01 0.21 0.00 -2.04 0.00 0.00 179.24 177.43 2klg n TYR 59 N -4.36 2.71 -2.84 4.15 9.36 -0.91 -4.90 117.16 120.38 2klg n TYR 59 Ca 0.12 -2.43 -0.19 0.00 3.32 0.00 0.00 57.90 58.72 2klg n TYR 59 Cb 0.69 -0.92 0.01 0.00 -0.63 0.00 0.00 39.34 38.49 2klg n TYR 59 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2klg n ASN 60 N -0.93 -4.82 -4.25 2.98 4.13 -0.02 -4.88 115.26 107.47 2klg n ASN 60 Ca 0.52 -0.13 -0.43 0.00 1.68 0.00 0.00 54.58 56.22 2klg n ASN 60 Cb 0.93 -3.99 0.00 0.00 -1.54 0.00 0.00 39.78 35.18 2klg n ASN 60 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2klg n ILE 61 N -3.96 4.28 -3.35 2.41 5.41 -1.01 -4.97 119.36 118.18 2klg n ILE 61 Ca -0.12 -4.60 -0.10 0.00 1.00 0.00 0.00 62.75 58.93 2klg n ILE 61 Cb 0.61 -2.43 0.02 0.00 -0.71 0.00 0.00 39.64 37.13 2klg n ILE 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2klg n GLN 62 N 5.06 0.98 -1.45 0.38 10.64 -1.26 -4.18 117.38 127.55 2klg n GLN 62 Ca 0.38 -1.47 -0.42 0.00 -1.83 0.00 0.00 57.00 53.66 2klg n GLN 62 Cb 0.40 0.03 0.00 0.00 -0.86 0.00 0.00 30.24 29.82 2klg n GLN 62 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2klg n LYS 63 N -1.32 0.53 -1.61 2.61 5.02 -1.26 -0.97 118.16 121.17 2klg n LYS 63 Ca 0.03 0.19 -0.17 0.00 -2.02 0.00 0.00 58.31 56.34 2klg n LYS 63 Cb 0.27 -1.45 -0.07 0.00 -0.02 0.00 0.00 35.03 33.77 2klg n LYS 63 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2klg n GLU 64 N 0.70 -1.24 -1.62 1.97 -0.58 -0.21 -4.98 120.64 114.69 2klg n GLU 64 Ca 0.12 1.08 -0.31 0.00 -0.42 0.00 0.00 57.16 57.64 2klg n GLU 64 Cb 0.38 -5.35 0.06 0.00 -0.57 0.00 0.00 31.44 25.96 2klg n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2klg s SER 65 N -2.74 5.13 -0.90 1.62 0.01 -0.14 -5.01 113.70 111.67 2klg s SER 65 Ca 0.00 1.44 -0.05 0.00 1.31 0.00 0.00 55.95 58.65 2klg s SER 65 Cb 0.00 -2.28 0.23 0.00 0.21 0.00 0.00 66.02 64.18 2klg s SER 65 CO 0.00 -1.58 0.81 0.42 0.41 0.00 0.00 173.24 173.30 2klg s THR 66 N -3.12 4.81 -0.22 1.44 -4.23 -1.26 -4.39 115.64 108.68 2klg s THR 66 Ca 0.59 -3.46 -0.11 0.00 -1.18 0.00 0.00 61.69 57.52 2klg s THR 66 Cb -0.14 -3.97 -0.05 0.00 1.34 0.00 0.00 72.50 69.68 2klg s THR 66 CO 0.54 -1.07 0.19 -1.48 -0.54 0.00 0.00 174.62 172.26 2klg s LEU 67 N -0.96 4.16 -0.27 4.79 0.05 -1.26 -5.07 118.68 120.12 2klg s LEU 67 Ca 0.26 0.23 -0.07 0.00 0.05 0.00 0.00 54.13 54.60 2klg s LEU 67 Cb -0.10 -2.18 -0.01 0.00 -2.05 0.00 0.00 46.19 41.85 2klg s LEU 67 CO -0.10 0.08 0.07 -2.28 -0.55 0.00 0.00 176.35 173.58 2klg s HIS 68 N 0.84 3.10 -0.35 3.48 2.46 -1.26 -4.58 115.29 118.98 2klg s HIS 68 Ca 0.10 -0.65 -0.18 0.00 0.47 0.00 0.00 55.06 54.80 2klg s HIS 68 Cb -0.13 -2.25 -0.00 0.00 -0.13 0.00 0.00 32.58 30.07 2klg s HIS 68 CO 0.03 -0.45 0.51 -1.17 -2.47 0.00 0.00 174.74 171.19 2klg s LEU 69 N 1.57 4.36 0.14 8.88 2.96 -1.26 -1.85 118.68 133.48 2klg s LEU 69 Ca 0.05 -0.04 0.07 0.00 -0.22 0.00 0.00 54.13 53.99 2klg s LEU 69 Cb -0.16 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 2klg s LEU 69 CO 0.03 -0.48 -0.05 0.54 -1.32 0.00 0.00 176.35 175.07 2klg s VAL 70 N 2.39 3.56 -0.05 1.68 0.11 0.30 -4.81 120.40 123.58 2klg s VAL 70 Ca 0.19 -1.36 -0.23 0.00 -2.93 0.00 0.00 61.98 57.64 2klg s VAL 70 Cb -0.15 -2.74 -0.04 0.00 -1.53 0.00 0.00 36.38 31.92 2klg s VAL 70 CO 0.13 -0.02 0.68 -1.48 -3.33 0.00 0.00 175.10 171.08 2klg s LEU 71 N -2.63 4.34 -0.56 2.54 2.34 -1.24 -1.26 118.68 122.21 2klg s LEU 71 Ca 0.25 1.18 -0.20 0.00 0.06 0.00 0.00 54.13 55.43 2klg s LEU 71 Cb -0.10 -3.05 0.08 0.00 -0.56 0.00 0.00 46.19 42.56 2klg s LEU 71 CO 0.16 -0.07 0.73 -0.60 -1.06 0.00 0.00 176.35 175.51 2klg s ARG 72 N 0.57 3.10 -0.07 1.48 3.52 0.39 -4.93 118.95 123.02 2klg s ARG 72 Ca 0.36 -1.01 -0.03 0.00 -0.13 0.00 0.00 55.73 54.92 2klg s ARG 72 Cb -0.18 -4.18 -0.09 0.00 -1.56 0.00 0.00 34.95 28.94 2klg s ARG 72 CO 0.18 -1.45 2.74 -0.11 -0.81 0.00 0.00 175.30 175.85 2klg n LEU 73 N 6.54 5.50 -4.45 -0.88 -0.00 -1.26 -4.48 117.00 117.96 2klg n LEU 73 Ca -0.07 -2.94 -0.43 0.00 -0.00 0.00 0.00 56.01 52.57 2klg n LEU 73 Cb 0.44 -1.25 -0.05 0.00 -0.00 0.00 0.00 43.42 42.57 2klg n LEU 73 CO 0.58 1.37 0.61 -0.13 -0.00 0.00 0.00 177.39 179.82 2klg s ARG 74 N 0.11 3.15 -0.43 1.96 0.52 -1.26 -4.94 118.95 118.07 2klg s ARG 74 Ca 0.35 -0.80 0.05 0.00 -0.52 0.00 0.00 55.73 54.81 2klg s ARG 74 Cb 0.18 -4.17 0.18 0.00 0.52 0.00 0.00 34.95 31.67 2klg s ARG 74 CO -0.02 -1.57 0.41 0.41 0.02 0.00 0.00 175.30 174.56 2klg n GLY 75 N 5.24 1.74 0.00 -3.53 0.00 -1.26 -5.07 105.19 102.31 2klg n GLY 75 Ca -0.04 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.94 2klg n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93