#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klg h GLN 2 N 0.00 0.00 -4.85 3.17 7.50 -1.92 -3.49 115.11 115.52 2klg h GLN 2 Ca 0.00 0.00 -0.42 0.00 0.50 0.00 0.00 58.65 58.73 2klg h GLN 2 Cb 0.00 0.00 -0.14 0.00 0.05 0.00 0.00 27.48 27.39 2klg h GLN 2 CO 0.00 0.00 -0.53 0.96 -1.50 0.00 0.00 178.83 177.76 2klg s ILE 3 N -3.33 0.10 -0.35 2.54 -4.36 -1.26 -3.36 121.20 111.17 2klg s ILE 3 Ca 0.01 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.43 2klg s ILE 3 Cb 0.10 -2.49 0.10 0.00 1.25 0.00 0.00 42.46 41.42 2klg s ILE 3 CO 0.78 0.00 0.08 -0.36 0.24 0.00 0.00 174.94 175.67 2klg s PHE 4 N -3.59 3.73 -0.05 1.37 0.08 -1.26 -4.83 117.98 113.43 2klg s PHE 4 Ca 0.38 -2.92 -0.01 0.00 0.12 0.00 0.00 56.93 54.50 2klg s PHE 4 Cb 0.04 -2.97 -0.03 0.00 -0.57 0.00 0.00 43.02 39.48 2klg s PHE 4 CO 0.22 -0.95 0.01 0.08 -0.10 0.00 0.00 175.22 174.48 2klg s VAL 5 N 0.91 4.27 -0.02 -0.44 1.01 -1.26 -4.49 120.40 120.38 2klg s VAL 5 Ca 0.11 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.76 2klg s VAL 5 Cb -0.20 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 2klg s VAL 5 CO -0.07 0.51 -0.18 -1.59 0.00 0.00 0.00 175.10 173.76 2klg s LYS 6 N -1.18 2.29 0.00 2.72 0.00 -1.26 -4.46 119.74 117.85 2klg s LYS 6 Ca 0.16 -0.83 0.00 0.00 0.00 0.00 0.00 55.97 55.30 2klg s LYS 6 Cb -0.11 -2.24 0.00 0.00 0.00 0.00 0.00 37.83 35.47 2klg s LYS 6 CO 0.06 0.59 0.00 0.25 0.00 0.00 0.00 175.35 176.25 2klg n THR 7 N 2.16 0.00 0.16 3.79 -2.24 -1.26 -4.36 114.28 112.54 2klg n THR 7 Ca -0.17 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.62 2klg n THR 7 Cb 0.52 -1.02 0.31 0.00 -2.10 0.00 0.00 70.33 68.04 2klg n THR 7 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2klg h LEU 8 N 0.00 0.05 0.00 3.22 6.46 -1.94 -3.40 115.31 119.71 2klg h LEU 8 Ca 0.00 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2klg h LEU 8 Cb 0.00 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 39.92 2klg h LEU 8 CO 0.00 0.46 -0.02 0.35 -0.62 0.00 0.00 178.44 178.60 2klg n THR 9 N -4.05 0.07 0.00 1.05 -2.24 -1.26 -4.82 114.28 103.04 2klg n THR 9 Ca -0.02 0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 2klg n THR 9 Cb 0.45 -1.26 0.00 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 2.62 0.00 3.81 3.38 0.00 -1.26 -5.15 105.19 108.58 2klg n GLY 10 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2klg n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2klg s LYS 11 N 0.00 4.33 -0.29 1.61 2.47 -1.26 -4.90 119.74 121.70 2klg s LYS 11 Ca 0.00 0.96 -0.10 0.00 -1.56 0.00 0.00 55.97 55.28 2klg s LYS 11 Cb 0.00 -2.90 -0.02 0.00 -1.46 0.00 0.00 37.83 33.45 2klg s LYS 11 CO 0.00 0.39 0.15 -0.08 0.16 0.00 0.00 175.35 175.97 2klg s THR 12 N -1.51 4.81 0.14 3.43 -1.32 -1.26 -4.06 115.64 115.86 2klg s THR 12 Ca 0.44 -0.18 0.08 0.00 -1.21 0.00 0.00 61.69 60.82 2klg s THR 12 Cb -0.17 -3.36 -0.04 0.00 -1.51 0.00 0.00 72.50 67.41 2klg s THR 12 CO 0.22 0.17 -0.19 0.27 -2.21 0.00 0.00 174.62 172.87 2klg s ILE 13 N 1.67 1.78 -0.10 5.08 -4.36 -1.26 -5.11 121.20 118.90 2klg s ILE 13 Ca 0.06 -1.78 -0.03 0.00 -0.26 0.00 0.00 60.65 58.64 2klg s ILE 13 Cb -0.16 -1.74 -0.03 0.00 1.25 0.00 0.00 42.46 41.78 2klg s ILE 13 CO 0.07 -0.22 0.02 0.28 0.24 0.00 0.00 174.94 175.33 2klg s THR 14 N -1.71 4.46 0.03 8.37 -1.32 -1.26 -4.47 115.64 119.73 2klg s THR 14 Ca 0.12 -0.19 0.05 0.00 -1.21 0.00 0.00 61.69 60.46 2klg s THR 14 Cb -0.07 -2.89 -0.02 0.00 -1.51 0.00 0.00 72.50 68.00 2klg s THR 14 CO 0.06 0.60 -0.14 -0.22 -2.21 0.00 0.00 174.62 172.70 2klg s LEU 15 N -0.80 2.14 0.03 9.08 2.96 -1.26 -5.01 118.68 125.82 2klg s LEU 15 Ca 0.12 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.59 2klg s LEU 15 Cb -0.12 -0.63 -0.04 0.00 0.50 0.00 0.00 46.19 45.90 2klg s LEU 15 CO 0.02 0.06 0.25 -1.83 -1.32 0.00 0.00 176.35 173.53 2klg s GLU 16 N -0.95 3.51 -0.29 1.98 4.04 -1.26 -4.26 118.70 121.46 2klg s GLU 16 Ca 0.02 -0.23 -0.00 0.00 0.04 0.00 0.00 54.97 54.80 2klg s GLU 16 Cb -0.07 -3.04 0.09 0.00 0.02 0.00 0.00 34.13 31.13 2klg s GLU 16 CO 0.01 0.62 0.07 0.08 -1.84 0.00 0.00 175.26 174.20 2klg s VAL 17 N -1.41 1.09 0.28 1.83 1.01 -1.26 -5.07 120.40 116.87 2klg s VAL 17 Ca 0.31 -1.42 0.08 0.00 0.00 0.00 0.00 61.98 60.95 2klg s VAL 17 Cb -0.13 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 2klg s VAL 17 CO 0.21 -0.56 0.19 -1.83 0.00 0.00 0.00 175.10 173.11 2klg s GLU 18 N 1.53 2.77 0.18 2.72 -1.05 -1.26 -4.84 118.70 118.75 2klg s GLU 18 Ca 0.07 -1.19 -0.20 0.00 -0.15 0.00 0.00 54.97 53.50 2klg s GLU 18 Cb -0.18 -2.47 0.12 0.00 -0.44 0.00 0.00 34.13 31.17 2klg s GLU 18 CO -0.19 0.30 1.60 -1.35 0.95 0.00 0.00 175.26 176.57 2klg h PRO 19 N 1.48 -0.16 -1.58 -4.83 0.11 -2.02 -0.53 132.00 124.47 2klg h PRO 19 Ca -0.47 0.01 -0.37 0.00 0.11 0.00 0.00 66.00 65.29 2klg h PRO 19 Cb 1.24 0.04 -0.15 0.00 0.11 0.00 0.00 31.00 32.24 2klg h PRO 19 CO 0.60 -0.10 0.43 0.43 -0.21 0.00 0.00 178.00 179.15 2klg n SER 20 N -5.43 6.53 -4.55 -2.05 7.64 -1.26 -4.86 113.62 109.64 2klg n SER 20 Ca 0.04 -3.12 -0.33 0.00 1.01 0.00 0.00 58.87 56.46 2klg n SER 20 Cb 0.34 -1.09 -0.04 0.00 -1.01 0.00 0.00 64.21 62.42 2klg n SER 20 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2klg s ASP 21 N 0.12 5.15 0.11 6.43 -4.77 -0.21 -4.95 116.67 118.54 2klg s ASP 21 Ca 0.37 -0.02 -0.24 0.00 -3.30 0.00 0.00 52.55 49.36 2klg s ASP 21 Cb 0.28 -2.54 -0.07 0.00 -1.09 0.00 0.00 42.92 39.50 2klg s ASP 21 CO -0.04 -2.58 0.74 -0.89 0.70 0.00 0.00 175.17 173.11 2klg s THR 22 N 9.74 4.56 0.17 2.11 2.01 -1.26 -2.08 115.64 130.88 2klg s THR 22 Ca 0.70 1.61 -0.09 0.00 0.31 0.00 0.00 61.69 64.22 2klg s THR 22 Cb -0.11 -4.10 0.01 0.00 0.01 0.00 0.00 72.50 68.32 2klg s THR 22 CO 0.12 0.46 1.56 0.40 -0.69 0.00 0.00 174.62 176.48 2klg h ILE 23 N 3.67 1.27 -0.45 1.82 2.04 -1.42 -2.53 117.51 121.90 2klg h ILE 23 Ca -0.46 -1.36 -0.10 0.00 1.00 0.00 0.00 64.86 63.94 2klg h ILE 23 Cb 1.21 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 2klg h ILE 23 CO 0.68 0.47 -0.10 -0.08 0.00 0.00 0.00 178.15 179.12 2klg h GLU 24 N 0.86 0.86 -0.70 2.37 4.81 -1.71 -2.82 114.58 118.26 2klg h GLU 24 Ca 0.11 -0.33 -0.04 0.00 -0.13 0.00 0.00 59.36 58.98 2klg h GLU 24 Cb 0.78 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 2klg h GLU 24 CO 0.06 0.96 0.28 -0.91 -0.73 0.00 0.00 179.01 178.68 2klg h ASN 25 N 0.70 0.94 0.87 1.04 4.21 -1.91 -1.95 115.58 119.47 2klg h ASN 25 Ca 0.11 -0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.49 2klg h ASN 25 Cb 0.64 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 2klg h ASN 25 CO 0.04 0.83 0.00 0.55 -1.29 0.00 0.00 177.43 177.57 2klg n VAL 26 N -4.30 0.70 -0.09 2.81 3.14 -0.96 -3.51 118.33 116.12 2klg n VAL 26 Ca 0.06 0.09 -0.06 0.00 -2.96 0.00 0.00 64.34 61.47 2klg n VAL 26 Cb 0.17 -0.90 0.01 0.00 -1.06 0.00 0.00 33.84 32.06 2klg n VAL 26 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 2klg h LYS 27 N 0.00 0.13 0.00 1.45 3.64 -1.09 -1.15 116.57 119.55 2klg h LYS 27 Ca 0.00 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 2klg h LYS 27 Cb 0.43 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2klg h LYS 27 CO 0.00 0.09 -0.37 0.00 -2.27 0.00 0.00 179.45 176.90 2klg h ALA 28 N 1.26 1.31 -0.29 5.00 0.00 -1.72 -2.79 119.26 122.03 2klg h ALA 28 Ca 0.15 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2klg h ALA 28 Cb 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2klg h ALA 28 CO -0.23 0.46 -0.03 0.87 0.00 0.00 0.00 179.25 180.32 2klg h LYS 29 N 0.00 0.44 -0.52 0.00 1.57 -1.37 -2.21 116.57 114.49 2klg h LYS 29 Ca -0.00 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 2klg h LYS 29 Cb 0.68 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 2klg h LYS 29 CO 0.05 0.50 0.12 0.82 -0.57 0.00 0.00 179.45 180.36 2klg h ILE 30 N 0.42 1.24 -0.48 1.86 1.08 -1.11 -2.76 117.51 117.76 2klg h ILE 30 Ca 0.09 -0.87 -0.07 0.00 -0.39 0.00 0.00 64.86 63.62 2klg h ILE 30 Cb 0.33 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 34.88 2klg h ILE 30 CO 0.01 0.32 0.00 -0.61 -0.69 0.00 0.00 178.15 177.18 2klg h GLN 31 N 0.72 0.80 0.00 2.37 4.15 -1.52 -2.34 115.11 119.29 2klg h GLN 31 Ca 0.16 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2klg h GLN 31 Cb 0.35 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.94 2klg h GLN 31 CO 0.00 0.80 0.00 0.22 -1.93 0.00 0.00 178.83 177.92 2klg h ASP 32 N 0.75 0.00 0.00 -0.69 1.82 -1.12 -0.35 116.42 116.83 2klg h ASP 32 Ca 0.15 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.79 2klg h ASP 32 Cb 0.45 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.46 2klg h ASP 32 CO 0.02 0.00 0.00 0.29 -1.61 0.00 0.00 179.24 177.94 2klg n LYS 33 N -2.80 0.00 -0.80 0.28 5.02 -0.88 -4.77 118.16 114.20 2klg n LYS 33 Ca -0.02 0.31 0.02 0.00 -2.02 0.00 0.00 58.31 56.60 2klg n LYS 33 Cb 0.09 -0.96 0.03 0.00 -0.02 0.00 0.00 35.03 34.17 2klg n LYS 33 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2klg n GLU 34 N -1.42 0.17 -3.11 1.97 2.13 -1.23 -5.07 120.64 114.07 2klg n GLU 34 Ca 0.00 -1.55 -0.13 0.00 0.66 0.00 0.00 57.16 56.14 2klg n GLU 34 Cb 0.00 -0.46 0.01 0.00 0.27 0.00 0.00 31.44 31.26 2klg n GLU 34 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2klg n GLY 35 N 0.00 -1.18 3.60 8.31 0.00 -0.14 -4.84 105.19 110.94 2klg n GLY 35 Ca 0.04 0.70 -0.43 0.00 0.00 0.00 0.00 46.02 46.33 2klg n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2klg s ILE 36 N -1.61 4.12 0.19 -0.61 -5.25 -1.26 -4.93 121.20 111.85 2klg s ILE 36 Ca 0.16 1.14 -0.12 0.00 -0.99 0.00 0.00 60.65 60.85 2klg s ILE 36 Cb -0.03 -4.48 0.11 0.00 2.95 0.00 0.00 42.46 41.02 2klg s ILE 36 CO 0.58 -0.92 1.84 -0.65 -1.79 0.00 0.00 174.94 174.01 2klg h PRO 37 N 9.65 0.87 -6.22 0.37 0.11 -2.01 -3.42 132.00 131.34 2klg h PRO 37 Ca -0.24 -0.07 -0.56 0.00 0.11 0.00 0.00 66.00 65.24 2klg h PRO 37 Cb 1.07 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.97 2klg h PRO 37 CO 1.11 0.60 1.00 -1.25 -0.21 0.00 0.00 178.00 179.25 2klg s PRO 38 N -6.06 4.13 0.16 1.05 0.04 -1.26 -4.89 135.00 128.17 2klg s PRO 38 Ca -0.13 1.79 0.19 0.00 0.04 0.00 0.00 61.00 62.89 2klg s PRO 38 Cb 0.14 -3.88 0.82 0.00 0.04 0.00 0.00 34.50 31.61 2klg s PRO 38 CO 0.77 -0.87 1.58 -0.40 0.04 0.00 0.00 177.00 178.12 2klg n ASP 39 N 7.12 0.39 -1.37 6.66 5.75 -1.26 -2.73 116.55 131.11 2klg n ASP 39 Ca 0.16 0.61 -0.00 0.00 -0.01 0.00 0.00 54.79 55.54 2klg n ASP 39 Cb 0.44 -0.69 0.19 0.00 -1.03 0.00 0.00 41.12 40.04 2klg n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2klg n GLN 40 N -1.95 2.80 -2.73 0.11 6.02 -1.26 -4.81 117.38 115.56 2klg n GLN 40 Ca 0.02 -1.72 -0.42 0.00 -0.01 0.00 0.00 57.00 54.87 2klg n GLN 40 Cb 0.18 -1.86 -0.03 0.00 1.02 0.00 0.00 30.24 29.55 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 -1.93 3.44 0.30 -1.09 -1.52 -1.10 -4.90 119.66 112.86 2klg s GLN 41 Ca 0.30 -1.13 0.05 0.00 -1.95 0.00 0.00 55.36 52.64 2klg s GLN 41 Cb 0.24 -4.83 -0.03 0.00 -0.22 0.00 0.00 33.01 28.17 2klg s GLN 41 CO 0.08 -1.99 0.24 0.50 -0.25 0.00 0.00 175.29 173.87 2klg s ARG 42 N 4.22 1.64 0.37 2.91 3.52 -1.26 -5.01 118.95 125.34 2klg s ARG 42 Ca 0.36 -1.94 0.05 0.00 -0.13 0.00 0.00 55.73 54.07 2klg s ARG 42 Cb -0.06 0.27 -0.01 0.00 -1.56 0.00 0.00 34.95 33.60 2klg s ARG 42 CO -0.02 -0.58 0.54 -0.51 -0.81 0.00 0.00 175.30 173.91 2klg s LEU 43 N -3.33 3.86 -0.81 -0.88 2.01 -1.26 -2.48 118.68 115.79 2klg s LEU 43 Ca 0.40 -0.05 -0.02 0.00 0.01 0.00 0.00 54.13 54.46 2klg s LEU 43 Cb 0.03 -2.87 0.20 0.00 0.01 0.00 0.00 46.19 43.57 2klg s LEU 43 CO 0.24 -0.53 0.67 0.27 1.01 0.00 0.00 176.35 178.00 2klg s ILE 44 N -2.30 4.17 -0.21 -0.59 -4.36 0.78 -4.83 121.20 113.86 2klg s ILE 44 Ca 0.46 -3.55 -0.05 0.00 -0.26 0.00 0.00 60.65 57.25 2klg s ILE 44 Cb -0.10 -3.63 0.11 0.00 1.25 0.00 0.00 42.46 40.09 2klg s ILE 44 CO 0.33 -1.02 0.37 0.12 0.24 0.00 0.00 174.94 174.99 2klg s PHE 45 N -0.91 -0.74 -1.86 1.37 5.36 -1.26 -4.67 117.98 115.27 2klg s PHE 45 Ca 0.24 1.12 0.00 0.00 -0.96 0.00 0.00 56.93 57.33 2klg s PHE 45 Cb -0.11 0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.68 2klg s PHE 45 CO -0.10 -0.57 0.00 0.00 -1.46 0.00 0.00 175.22 173.10 2klg n ALA 46 N 5.37 -0.41 -4.32 11.12 0.00 -1.26 -2.87 120.51 128.15 2klg n ALA 46 Ca -0.06 0.24 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 2klg n ALA 46 Cb 0.50 -1.99 -0.04 0.00 0.00 0.00 0.00 19.45 17.92 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 -0.80 -0.43 3.79 0.00 0.00 -1.26 -4.92 105.19 101.57 2klg n GLY 47 Ca -0.21 0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 -7.02 3.72 0.75 1.61 3.01 -1.14 -5.10 119.74 115.57 2klg s LYS 48 Ca 0.77 -0.21 -0.12 0.00 -1.01 0.00 0.00 55.97 55.41 2klg s LYS 48 Cb -0.43 -3.24 0.04 0.00 -1.01 0.00 0.00 37.83 33.19 2klg s LYS 48 CO 0.95 0.56 1.12 -1.14 0.51 0.00 0.00 175.35 177.34 2klg s GLN 49 N -0.39 2.46 0.37 1.68 -0.44 -1.26 -4.82 119.66 117.25 2klg s GLN 49 Ca 0.11 0.41 0.24 0.00 -2.50 0.00 0.00 55.36 53.62 2klg s GLN 49 Cb -0.12 -1.98 0.55 0.00 -1.64 0.00 0.00 33.01 29.82 2klg s GLN 49 CO 0.01 -1.30 1.68 1.37 0.50 0.00 0.00 175.29 177.55 2klg h LEU 50 N -0.85 0.00 -0.13 3.68 8.10 -1.94 -3.23 115.31 120.93 2klg h LEU 50 Ca -0.46 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.41 2klg h LEU 50 Cb 1.28 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.48 2klg h LEU 50 CO 0.63 0.00 -0.61 1.05 -4.11 0.00 0.00 178.44 175.41 2klg h GLU 51 N 0.00 0.00 -6.07 0.17 4.11 -1.93 -3.35 114.58 107.50 2klg h GLU 51 Ca 0.00 0.00 -0.72 0.00 0.07 0.00 0.00 59.36 58.71 2klg h GLU 51 Cb 0.88 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 2klg h GLU 51 CO 0.00 0.61 1.12 -0.40 0.07 0.00 0.00 179.01 180.41 2klg n ASP 52 N -3.30 2.09 -2.07 3.06 5.75 -1.22 -4.67 116.55 116.18 2klg n ASP 52 Ca 0.01 0.81 -0.04 0.00 -0.01 0.00 0.00 54.79 55.56 2klg n ASP 52 Cb 0.75 -1.14 -0.06 0.00 -1.03 0.00 0.00 41.12 39.64 2klg n ASP 52 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2klg n GLY 53 N 5.39 1.91 3.87 6.12 0.00 -1.26 -4.02 105.19 117.19 2klg n GLY 53 Ca 0.35 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 1.60 2.50 -0.12 1.61 3.00 -1.26 -4.92 118.95 121.36 2klg s ARG 54 Ca 0.24 -1.57 -0.09 0.00 0.00 0.00 0.00 55.73 54.31 2klg s ARG 54 Cb 0.12 -2.35 -0.04 0.00 0.00 0.00 0.00 34.95 32.67 2klg s ARG 54 CO 0.00 -0.21 0.17 0.99 0.00 0.00 0.00 175.30 176.25 2klg s THR 55 N -2.49 5.44 0.26 0.02 2.01 -1.26 -1.24 115.64 118.37 2klg s THR 55 Ca 0.47 0.28 -0.02 0.00 0.31 0.00 0.00 61.69 62.74 2klg s THR 55 Cb -0.03 -3.45 0.24 0.00 0.01 0.00 0.00 72.50 69.27 2klg s THR 55 CO 0.27 0.57 1.75 -0.07 -0.69 0.00 0.00 174.62 176.46 2klg h LEU 56 N 5.34 0.47 -1.88 4.42 4.07 -1.73 0.12 115.31 126.12 2klg h LEU 56 Ca -0.52 0.10 0.08 0.00 0.08 0.00 0.00 57.88 57.62 2klg h LEU 56 Cb 1.21 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.96 2klg h LEU 56 CO 0.62 0.20 0.25 -1.28 -1.08 0.00 0.00 178.44 177.15 2klg h SER 57 N 0.58 0.12 -0.81 -0.43 0.87 -1.80 -1.50 113.55 110.59 2klg h SER 57 Ca 0.45 0.00 0.16 0.00 -1.23 0.00 0.00 61.79 61.17 2klg h SER 57 Cb 0.65 -0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.53 2klg h SER 57 CO -0.37 0.08 0.54 0.44 -0.53 0.00 0.00 176.83 176.98 2klg h ASP 58 N 0.14 0.45 -0.91 6.23 3.32 -1.10 -0.42 116.42 124.12 2klg h ASP 58 Ca 0.17 0.03 -0.57 0.00 0.02 0.00 0.00 57.03 56.67 2klg h ASP 58 Cb 0.49 -0.06 -0.29 0.00 0.22 0.00 0.00 39.33 39.69 2klg h ASP 58 CO -0.02 0.22 0.55 -1.22 -1.72 0.00 0.00 179.24 177.05 2klg n TYR 59 N -4.50 2.94 -1.84 4.55 4.01 -0.65 -4.88 117.16 116.79 2klg n TYR 59 Ca 0.16 -2.49 -0.19 0.00 -0.16 0.00 0.00 57.90 55.22 2klg n TYR 59 Cb 0.55 -1.11 -0.06 0.00 -0.31 0.00 0.00 39.34 38.41 2klg n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2klg n ASN 60 N -0.98 -5.18 -4.29 7.72 2.85 -0.17 -4.89 115.26 110.32 2klg n ASN 60 Ca 0.57 0.32 -0.44 0.00 -0.11 0.00 0.00 54.58 54.93 2klg n ASN 60 Cb 1.02 -4.51 0.00 0.00 1.24 0.00 0.00 39.78 37.52 2klg n ASN 60 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 2klg n ILE 61 N -2.81 4.30 -2.74 -1.44 5.41 -0.71 -4.98 119.36 116.39 2klg n ILE 61 Ca -0.20 -4.65 -0.21 0.00 1.00 0.00 0.00 62.75 58.69 2klg n ILE 61 Cb 0.64 -2.43 0.05 0.00 -0.71 0.00 0.00 39.64 37.19 2klg n ILE 61 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2klg s GLN 62 N 1.15 2.38 0.54 0.38 -0.21 -1.26 -3.71 119.66 118.93 2klg s GLN 62 Ca 0.42 -1.04 -0.19 0.00 0.02 0.00 0.00 55.36 54.57 2klg s GLN 62 Cb 0.01 -2.52 -0.09 0.00 1.00 0.00 0.00 33.01 31.41 2klg s GLN 62 CO 0.00 -0.81 0.64 0.36 -2.12 0.00 0.00 175.29 173.37 2klg n LYS 63 N -2.35 0.65 -1.73 2.91 2.85 -1.26 -1.69 118.16 117.55 2klg n LYS 63 Ca 0.10 0.25 -0.18 0.00 -1.05 0.00 0.00 58.31 57.44 2klg n LYS 63 Cb 0.60 -1.78 -0.06 0.00 -0.65 0.00 0.00 35.03 33.14 2klg n LYS 63 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2klg n GLU 64 N -0.12 -1.27 -1.57 -1.58 4.07 -1.21 -4.99 120.64 113.97 2klg n GLU 64 Ca 0.12 1.05 -0.30 0.00 -0.06 0.00 0.00 57.16 57.97 2klg n GLU 64 Cb 0.46 -5.35 0.20 0.00 -0.06 0.00 0.00 31.44 26.69 2klg n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2klg s SER 65 N -2.65 2.26 -0.81 4.31 0.01 -0.68 -4.99 113.70 111.15 2klg s SER 65 Ca 0.00 0.45 -0.06 0.00 1.31 0.00 0.00 55.95 57.65 2klg s SER 65 Cb 0.00 -0.61 0.21 0.00 0.21 0.00 0.00 66.02 65.83 2klg s SER 65 CO 0.00 -3.28 0.69 0.42 0.41 0.00 0.00 173.24 171.49 2klg s THR 66 N -3.50 4.67 -0.26 1.44 -4.23 -1.26 -4.54 115.64 107.96 2klg s THR 66 Ca 0.72 -3.11 -0.12 0.00 -1.18 0.00 0.00 61.69 58.01 2klg s THR 66 Cb -0.07 -3.92 -0.05 0.00 1.34 0.00 0.00 72.50 69.80 2klg s THR 66 CO 0.54 -1.01 0.22 -0.76 -0.54 0.00 0.00 174.62 173.07 2klg s LEU 67 N -0.46 4.07 -0.07 4.79 1.43 -1.26 -5.06 118.68 122.11 2klg s LEU 67 Ca 0.21 0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.42 2klg s LEU 67 Cb -0.13 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 2klg s LEU 67 CO -0.08 -0.02 0.00 -1.00 0.23 0.00 0.00 176.35 175.48 2klg s HIS 68 N 1.47 3.15 0.32 0.29 3.76 -1.26 -4.61 115.29 118.40 2klg s HIS 68 Ca 0.09 0.18 0.01 0.00 -0.15 0.00 0.00 55.06 55.19 2klg s HIS 68 Cb -0.15 -1.77 0.06 0.00 1.11 0.00 0.00 32.58 31.83 2klg s HIS 68 CO 0.08 0.47 0.44 -0.11 -0.85 0.00 0.00 174.74 174.76 2klg n LEU 69 N 2.05 0.00 -4.76 0.89 7.94 -1.26 -0.16 117.00 121.70 2klg n LEU 69 Ca -0.18 -1.00 -0.36 0.00 -1.11 0.00 0.00 56.01 53.37 2klg n LEU 69 Cb 0.53 -0.27 -0.08 0.00 0.53 0.00 0.00 43.42 44.13 2klg n LEU 69 CO 0.29 -0.70 -0.24 0.54 -1.11 0.00 0.00 177.39 176.17 2klg s VAL 70 N -1.15 4.86 -0.64 1.96 0.11 -1.04 -4.58 120.40 119.93 2klg s VAL 70 Ca 0.30 -0.04 -0.23 0.00 -2.93 0.00 0.00 61.98 59.08 2klg s VAL 70 Cb -0.02 -3.09 0.06 0.00 -1.53 0.00 0.00 36.38 31.80 2klg s VAL 70 CO 0.20 0.60 0.98 -1.48 -3.33 0.00 0.00 175.10 172.06 2klg s LEU 71 N -0.83 4.22 -1.01 2.54 2.34 -1.26 -4.66 118.68 120.03 2klg s LEU 71 Ca 0.13 -0.80 -0.15 0.00 0.06 0.00 0.00 54.13 53.37 2klg s LEU 71 Cb -0.12 -2.52 0.18 0.00 -0.56 0.00 0.00 46.19 43.17 2klg s LEU 71 CO 0.03 -1.42 1.13 -0.60 -1.06 0.00 0.00 176.35 174.43 2klg s ARG 72 N 4.16 3.81 0.06 1.48 3.52 -1.26 -4.82 118.95 125.90 2klg s ARG 72 Ca 0.25 -2.32 -0.08 0.00 -0.13 0.00 0.00 55.73 53.45 2klg s ARG 72 Cb -0.15 -4.81 -0.31 0.00 -1.56 0.00 0.00 34.95 28.12 2klg s ARG 72 CO 0.13 -1.60 1.09 1.37 -0.81 0.00 0.00 175.30 175.47 2klg h LEU 73 N 9.18 0.57 -6.80 -0.88 8.10 -1.93 -3.38 115.31 120.17 2klg h LEU 73 Ca 0.19 -0.61 -0.75 0.00 0.11 0.00 0.00 57.88 56.82 2klg h LEU 73 Cb 0.97 -0.18 -0.17 0.00 -0.44 0.00 0.00 40.66 40.84 2klg h LEU 73 CO 1.06 1.48 1.78 -2.11 -4.11 0.00 0.00 178.44 176.54 2klg n ARG 74 N -3.59 3.60 -2.60 0.17 1.85 -1.26 -4.73 116.66 110.10 2klg n ARG 74 Ca -0.11 -3.67 -0.20 0.00 -1.00 0.00 0.00 57.85 52.87 2klg n ARG 74 Cb 1.05 -2.93 0.01 0.00 -1.05 0.00 0.00 32.46 29.54 2klg n ARG 74 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2klg n GLY 75 N 3.06 4.32 0.27 2.89 0.00 -1.26 -5.23 105.19 109.24 2klg n GLY 75 Ca 0.38 -2.21 0.03 0.00 0.00 0.00 0.00 46.02 44.23 2klg n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93