#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klg s GLN 2 N 0.00 4.15 0.04 3.17 -0.21 -1.26 -4.23 119.66 121.32 2klg s GLN 2 Ca 0.00 0.15 0.00 0.00 0.02 0.00 0.00 55.36 55.53 2klg s GLN 2 Cb 0.00 -3.54 -0.03 0.00 1.00 0.00 0.00 33.01 30.44 2klg s GLN 2 CO 0.00 -0.05 -0.04 -1.50 -2.12 0.00 0.00 175.29 171.58 2klg s ILE 3 N 1.34 0.26 -0.12 1.08 2.07 -1.26 -1.89 121.20 122.67 2klg s ILE 3 Ca 0.18 -1.24 0.03 0.00 -1.41 0.00 0.00 60.65 58.20 2klg s ILE 3 Cb -0.15 -0.74 0.00 0.00 0.13 0.00 0.00 42.46 41.70 2klg s ILE 3 CO 0.08 -0.63 -0.21 -0.36 -1.91 0.00 0.00 174.94 171.91 2klg s PHE 4 N -2.21 2.65 -0.11 3.50 0.40 -1.26 -4.55 117.98 116.41 2klg s PHE 4 Ca -0.07 -1.12 -0.06 0.00 -0.60 0.00 0.00 56.93 55.08 2klg s PHE 4 Cb -0.04 -1.78 -0.04 0.00 0.51 0.00 0.00 43.02 41.66 2klg s PHE 4 CO -0.03 -0.48 0.12 0.08 0.70 0.00 0.00 175.22 175.60 2klg s VAL 5 N 0.58 5.27 -0.80 -0.44 1.01 -1.26 -3.46 120.40 121.30 2klg s VAL 5 Ca -0.12 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 2klg s VAL 5 Cb -0.17 -3.29 0.20 0.00 0.00 0.00 0.00 36.38 33.12 2klg s VAL 5 CO 0.03 0.60 0.68 -0.54 0.00 0.00 0.00 175.10 175.87 2klg s LYS 6 N -1.07 3.22 -0.23 2.72 3.01 -1.14 -4.67 119.74 121.58 2klg s LYS 6 Ca 0.16 -2.74 -0.05 0.00 -1.01 0.00 0.00 55.97 52.33 2klg s LYS 6 Cb -0.12 -4.09 -0.01 0.00 -1.01 0.00 0.00 37.83 32.60 2klg s LYS 6 CO 0.05 -1.24 -0.01 0.95 0.51 0.00 0.00 175.35 175.61 2klg s THR 7 N -0.38 3.62 0.65 2.17 -4.23 -1.26 -4.34 115.64 111.87 2klg s THR 7 Ca 0.21 -0.41 0.25 0.00 -1.18 0.00 0.00 61.69 60.56 2klg s THR 7 Cb -0.13 -2.66 0.27 0.00 1.34 0.00 0.00 72.50 71.31 2klg s THR 7 CO -0.07 0.40 1.77 -0.07 -0.54 0.00 0.00 174.62 176.11 2klg h LEU 8 N 8.15 0.00 -4.00 4.79 3.38 -1.96 -0.53 115.31 125.14 2klg h LEU 8 Ca -0.41 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 56.91 2klg h LEU 8 Cb 1.16 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.62 2klg h LEU 8 CO 0.60 0.00 0.84 0.35 0.09 0.00 0.00 178.44 180.32 2klg n THR 9 N -2.95 3.57 -2.48 0.22 -2.24 -1.26 -4.88 114.28 104.27 2klg n THR 9 Ca 0.00 -2.77 -0.10 0.00 -2.27 0.00 0.00 64.05 58.91 2klg n THR 9 Cb 0.53 -1.05 -0.00 0.00 -2.10 0.00 0.00 70.33 67.70 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 -0.95 -0.50 2.60 3.38 0.00 -0.21 -4.83 105.19 104.68 2klg n GLY 10 Ca 0.62 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.24 2klg n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2klg n LYS 11 N -2.76 3.66 -3.04 1.61 3.00 -1.23 -4.90 118.16 114.50 2klg n LYS 11 Ca -0.11 -2.94 -0.44 0.00 -0.00 0.00 0.00 58.31 54.82 2klg n LYS 11 Cb 0.58 -2.92 -0.04 0.00 0.00 0.00 0.00 35.03 32.65 2klg n LYS 11 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 2klg s THR 12 N 1.21 4.69 0.38 3.15 -1.32 -1.26 -4.53 115.64 117.97 2klg s THR 12 Ca 0.52 -0.85 0.04 0.00 -1.21 0.00 0.00 61.69 60.19 2klg s THR 12 Cb 0.15 -4.55 -0.05 0.00 -1.51 0.00 0.00 72.50 66.54 2klg s THR 12 CO -0.06 -1.22 0.05 0.27 -2.21 0.00 0.00 174.62 171.45 2klg s ILE 13 N 3.02 1.26 -0.15 5.08 -5.25 -1.26 -5.03 121.20 118.87 2klg s ILE 13 Ca 0.15 -2.00 -0.05 0.00 -0.99 0.00 0.00 60.65 57.75 2klg s ILE 13 Cb -0.22 -2.68 -0.04 0.00 2.95 0.00 0.00 42.46 42.48 2klg s ILE 13 CO 0.07 0.00 0.03 -0.89 -1.79 0.00 0.00 174.94 172.36 2klg s THR 14 N -3.09 4.55 -0.10 8.37 2.01 -1.26 -4.39 115.64 121.72 2klg s THR 14 Ca 0.30 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.17 2klg s THR 14 Cb 0.07 -3.00 0.02 0.00 0.01 0.00 0.00 72.50 69.59 2klg s THR 14 CO 0.14 0.51 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.72 2klg s LEU 15 N 0.01 1.40 -0.18 4.42 1.43 -1.26 -5.05 118.68 119.45 2klg s LEU 15 Ca 0.04 -0.31 -0.09 0.00 -1.03 0.00 0.00 54.13 52.74 2klg s LEU 15 Cb -0.12 -0.86 -0.05 0.00 0.03 0.00 0.00 46.19 45.19 2klg s LEU 15 CO 0.01 -0.05 0.11 -1.83 0.23 0.00 0.00 176.35 174.82 2klg s GLU 16 N 1.27 4.00 0.21 1.70 -1.05 -1.26 -4.41 118.70 119.16 2klg s GLU 16 Ca -0.03 -0.25 0.05 0.00 -0.15 0.00 0.00 54.97 54.59 2klg s GLU 16 Cb -0.14 -3.32 -0.02 0.00 -0.44 0.00 0.00 34.13 30.22 2klg s GLU 16 CO -0.04 0.37 0.18 0.28 0.95 0.00 0.00 175.26 177.00 2klg n VAL 17 N 3.28 0.00 -3.96 1.83 0.31 -1.26 -4.82 118.33 113.70 2klg n VAL 17 Ca -0.17 -1.56 -0.21 0.00 -0.01 0.00 0.00 64.34 62.39 2klg n VAL 17 Cb 0.52 0.78 -0.03 0.00 -0.91 0.00 0.00 33.84 34.21 2klg n VAL 17 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2klg s GLU 18 N -2.87 3.17 0.15 5.55 -1.05 -1.26 -4.37 118.70 118.03 2klg s GLU 18 Ca 0.26 -0.93 -0.18 0.00 -0.15 0.00 0.00 54.97 53.96 2klg s GLU 18 Cb 0.01 -2.73 0.05 0.00 -0.44 0.00 0.00 34.13 31.02 2klg s GLU 18 CO 0.18 0.36 1.68 -1.35 0.95 0.00 0.00 175.26 177.08 2klg h PRO 19 N 1.27 -0.01 -1.11 -4.83 0.11 -2.03 -1.80 132.00 123.60 2klg h PRO 19 Ca -0.50 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.33 2klg h PRO 19 Cb 1.24 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.19 2klg h PRO 19 CO 0.60 -0.01 0.36 0.45 -0.21 0.00 0.00 178.00 179.19 2klg n SER 20 N -5.28 4.10 -4.66 -2.05 2.88 -1.26 -4.51 113.62 102.85 2klg n SER 20 Ca 0.01 -2.89 -0.43 0.00 -1.33 0.00 0.00 58.87 54.23 2klg n SER 20 Cb 0.19 -0.76 -0.02 0.00 -0.75 0.00 0.00 64.21 62.87 2klg n SER 20 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2klg s ASP 21 N -0.12 6.91 0.64 -3.46 -4.77 -0.68 -4.94 116.67 110.25 2klg s ASP 21 Ca 0.30 1.65 -0.07 0.00 -3.30 0.00 0.00 52.55 51.13 2klg s ASP 21 Cb 0.25 -2.54 0.02 0.00 -1.09 0.00 0.00 42.92 39.56 2klg s ASP 21 CO 0.04 -0.80 0.96 0.28 0.70 0.00 0.00 175.17 176.36 2klg s THR 22 N 3.60 3.27 0.32 2.11 -1.32 -1.26 -3.56 115.64 118.80 2klg s THR 22 Ca 0.55 0.01 0.01 0.00 -1.21 0.00 0.00 61.69 61.06 2klg s THR 22 Cb -0.21 -3.34 0.28 0.00 -1.51 0.00 0.00 72.50 67.72 2klg s THR 22 CO 0.16 -0.37 1.93 -0.29 -2.21 0.00 0.00 174.62 173.84 2klg h ILE 23 N -0.37 1.08 -0.65 5.08 6.09 -1.55 -0.06 117.51 127.13 2klg h ILE 23 Ca -0.45 -0.34 -0.04 0.00 -1.37 0.00 0.00 64.86 62.66 2klg h ILE 23 Cb 1.27 0.02 -0.03 0.00 0.47 0.00 0.00 36.82 38.55 2klg h ILE 23 CO 0.61 0.18 0.25 -0.08 -3.07 0.00 0.00 178.15 176.04 2klg h GLU 24 N 0.98 0.99 -0.04 2.19 4.81 -1.91 -0.67 114.58 120.93 2klg h GLU 24 Ca 0.36 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 2klg h GLU 24 Cb 0.16 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2klg h GLU 24 CO -0.12 0.84 -0.15 -0.97 -0.73 0.00 0.00 179.01 177.88 2klg h ASN 25 N 0.93 0.19 0.37 1.04 -0.73 -1.79 -3.18 115.58 112.41 2klg h ASN 25 Ca 0.22 -0.65 -0.01 0.00 1.87 0.00 0.00 56.30 57.73 2klg h ASN 25 Cb 0.23 -0.06 -0.00 0.00 0.27 0.00 0.00 38.32 38.76 2klg h ASN 25 CO -0.01 0.81 -0.03 1.62 -0.37 0.00 0.00 177.43 179.45 2klg h VAL 26 N -0.41 0.16 -0.73 2.57 3.04 -1.01 -2.65 116.25 117.23 2klg h VAL 26 Ca -0.01 -0.27 0.11 0.00 -1.01 0.00 0.00 66.70 65.53 2klg h VAL 26 Cb 0.80 1.22 -0.05 0.00 -2.01 0.00 0.00 31.29 31.26 2klg h VAL 26 CO 0.03 0.03 0.48 0.11 -1.01 0.00 0.00 177.57 177.21 2klg h LYS 27 N 0.00 0.52 -0.82 4.17 1.57 -1.09 -0.33 116.57 120.60 2klg h LYS 27 Ca -0.00 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.80 2klg h LYS 27 Cb 0.22 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 2klg h LYS 27 CO 0.00 0.35 0.54 0.00 -0.57 0.00 0.00 179.45 179.77 2klg h ALA 28 N 1.64 1.57 -0.11 3.86 0.00 -1.63 0.31 119.26 124.90 2klg h ALA 28 Ca 0.34 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 55.01 2klg h ALA 28 Cb 0.61 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2klg h ALA 28 CO -0.12 0.32 -0.79 0.87 0.00 0.00 0.00 179.25 179.52 2klg h LYS 29 N 0.93 0.63 -0.34 0.00 6.56 -1.26 -3.04 116.57 120.06 2klg h LYS 29 Ca 0.34 -0.54 -0.04 0.00 -1.06 0.00 0.00 60.65 59.36 2klg h LYS 29 Cb 0.17 0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 31.93 2klg h LYS 29 CO -0.12 1.16 0.06 0.82 -2.06 0.00 0.00 179.45 179.31 2klg h ILE 30 N 0.42 1.23 -0.01 1.86 1.08 -0.87 -2.48 117.51 118.74 2klg h ILE 30 Ca -0.05 -0.80 0.00 0.00 -0.39 0.00 0.00 64.86 63.62 2klg h ILE 30 Cb 1.41 1.11 -0.00 0.00 -3.07 0.00 0.00 36.82 36.26 2klg h ILE 30 CO 0.15 0.27 0.01 0.06 -0.69 0.00 0.00 178.15 177.95 2klg h GLN 31 N 0.39 0.00 -0.09 2.37 3.07 -1.01 -1.66 115.11 118.18 2klg h GLN 31 Ca 0.10 0.00 0.02 0.00 0.09 0.00 0.00 58.65 58.87 2klg h GLN 31 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.89 2klg h GLN 31 CO 0.00 0.00 0.16 0.22 0.09 0.00 0.00 178.83 179.31 2klg h ASP 32 N 0.00 0.00 -0.02 0.06 1.82 -1.32 0.68 116.42 117.63 2klg h ASP 32 Ca 0.00 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.41 2klg h ASP 32 Cb 0.02 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.04 2klg h ASP 32 CO -0.00 0.00 -0.87 0.11 -1.61 0.00 0.00 179.24 176.87 2klg h LYS 33 N 0.00 0.70 0.00 0.28 1.57 -1.43 -3.44 116.57 114.25 2klg h LYS 33 Ca 0.04 -0.63 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 2klg h LYS 33 Cb 0.37 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2klg h LYS 33 CO -0.00 1.24 0.00 -0.85 -0.57 0.00 0.00 179.45 179.27 2klg n GLU 34 N -3.89 0.00 0.00 3.15 -0.00 -0.49 -5.10 120.64 114.31 2klg n GLU 34 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.08 2klg n GLU 34 Cb 0.79 -0.05 0.00 0.00 -0.00 0.00 0.00 31.44 32.18 2klg n GLU 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2klg n GLY 35 N 0.74 0.68 3.59 -1.84 0.00 0.22 -5.05 105.19 103.54 2klg n GLY 35 Ca 0.00 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 2klg n GLY 35 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2klg s ILE 36 N -1.12 4.03 0.20 -0.61 2.07 -1.26 -4.93 121.20 119.59 2klg s ILE 36 Ca 0.00 1.00 -0.09 0.00 -1.41 0.00 0.00 60.65 60.15 2klg s ILE 36 Cb 0.00 -4.54 0.13 0.00 0.13 0.00 0.00 42.46 38.18 2klg s ILE 36 CO 0.00 -1.08 1.75 -0.65 -1.91 0.00 0.00 174.94 173.06 2klg h PRO 37 N 9.86 1.11 -6.65 3.50 0.11 -1.97 -3.44 132.00 134.53 2klg h PRO 37 Ca -0.25 -0.22 -0.53 0.00 0.11 0.00 0.00 66.00 65.12 2klg h PRO 37 Cb 1.07 -0.17 0.04 0.00 0.11 0.00 0.00 31.00 32.04 2klg h PRO 37 CO 1.14 0.93 0.70 -1.25 -0.21 0.00 0.00 178.00 179.31 2klg s PRO 38 N -5.50 4.34 0.00 1.05 0.04 -1.26 -4.89 135.00 128.78 2klg s PRO 38 Ca -0.12 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2klg s PRO 38 Cb 0.15 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.50 2klg s PRO 38 CO 0.83 -0.35 0.41 -3.47 0.04 0.00 0.00 177.00 174.47 2klg n ASP 39 N 2.98 0.25 -0.48 6.66 2.03 -1.26 -3.10 116.55 123.64 2klg n ASP 39 Ca 0.08 -1.07 0.13 0.00 0.52 0.00 0.00 54.79 54.45 2klg n ASP 39 Cb 0.42 -0.13 0.49 0.00 -0.72 0.00 0.00 41.12 41.19 2klg n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2klg n GLN 40 N -0.16 1.65 -2.67 -0.67 6.02 -1.26 -4.76 117.38 115.54 2klg n GLN 40 Ca 0.00 -0.96 -0.42 0.00 -0.01 0.00 0.00 57.00 55.61 2klg n GLN 40 Cb 0.06 -1.45 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 2klg n GLN 40 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2klg s GLN 41 N -1.93 3.24 0.37 -1.09 2.00 -1.18 -4.96 119.66 116.12 2klg s GLN 41 Ca 0.36 -0.31 0.05 0.00 -2.00 0.00 0.00 55.36 53.46 2klg s GLN 41 Cb 0.20 -4.15 -0.03 0.00 0.80 0.00 0.00 33.01 29.83 2klg s GLN 41 CO 0.31 -1.91 0.18 1.03 -0.50 0.00 0.00 175.29 174.40 2klg s ARG 42 N 4.98 1.84 -0.14 1.67 3.00 -1.26 -5.06 118.95 123.99 2klg s ARG 42 Ca 0.33 -2.10 -0.04 0.00 0.00 0.00 0.00 55.73 53.91 2klg s ARG 42 Cb -0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 34.95 34.56 2klg s ARG 42 CO 0.16 -0.54 0.01 -1.17 0.00 0.00 0.00 175.30 173.76 2klg s LEU 43 N -3.51 3.55 -0.35 2.53 2.96 -1.26 -3.53 118.68 119.07 2klg s LEU 43 Ca 0.30 0.03 -0.05 0.00 -0.22 0.00 0.00 54.13 54.20 2klg s LEU 43 Cb 0.03 -1.86 0.06 0.00 0.50 0.00 0.00 46.19 44.92 2klg s LEU 43 CO 0.19 0.24 0.12 0.27 -1.32 0.00 0.00 176.35 175.85 2klg s ILE 44 N -0.05 3.53 -0.15 6.68 -4.36 0.20 -4.29 121.20 122.76 2klg s ILE 44 Ca 0.04 -1.41 -0.11 0.00 -0.26 0.00 0.00 60.65 58.90 2klg s ILE 44 Cb -0.13 -3.11 0.05 0.00 1.25 0.00 0.00 42.46 40.52 2klg s ILE 44 CO 0.02 -0.30 0.39 0.12 0.24 0.00 0.00 174.94 175.41 2klg s PHE 45 N 1.32 -0.50 -1.47 1.37 5.36 -1.26 -4.27 117.98 118.53 2klg s PHE 45 Ca -0.00 1.14 -0.11 0.00 -0.96 0.00 0.00 56.93 57.00 2klg s PHE 45 Cb -0.21 0.19 0.06 0.00 -0.34 0.00 0.00 43.02 42.72 2klg s PHE 45 CO 0.00 -0.27 0.89 0.00 -1.46 0.00 0.00 175.22 174.39 2klg n ALA 46 N 3.53 -1.20 -2.34 11.12 0.00 -1.26 -1.15 120.51 129.21 2klg n ALA 46 Ca -0.18 0.24 -0.14 0.00 0.00 0.00 0.00 53.44 53.36 2klg n ALA 46 Cb 0.56 -4.36 -0.01 0.00 0.00 0.00 0.00 19.45 15.64 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 -1.65 -0.33 3.18 0.00 0.00 -1.26 -4.93 105.19 100.20 2klg n GLY 47 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.86 2.29 -0.92 1.61 1.02 -0.30 -5.04 119.74 113.55 2klg s LYS 48 Ca 0.00 -1.66 -0.19 0.00 0.02 0.00 0.00 55.97 54.14 2klg s LYS 48 Cb 0.00 -3.66 0.12 0.00 -0.52 0.00 0.00 37.83 33.78 2klg s LYS 48 CO 0.00 -1.02 1.13 -0.65 -0.92 0.00 0.00 175.35 173.89 2klg s GLN 49 N 1.27 3.57 -1.48 1.68 -0.21 -1.26 -4.08 119.66 119.15 2klg s GLN 49 Ca 0.05 -1.69 -0.13 0.00 0.02 0.00 0.00 55.36 53.62 2klg s GLN 49 Cb -0.23 -4.89 -0.02 0.00 1.00 0.00 0.00 33.01 28.86 2klg s GLN 49 CO -0.02 -1.79 2.50 1.47 -2.12 0.00 0.00 175.29 175.33 2klg n LEU 50 N 6.69 7.44 -0.01 2.90 -0.00 -1.26 -4.50 117.00 128.26 2klg n LEU 50 Ca 0.23 -4.14 -0.22 0.00 -0.00 0.00 0.00 56.01 51.88 2klg n LEU 50 Cb 0.49 -1.58 -0.14 0.00 -0.00 0.00 0.00 43.42 42.19 2klg n LEU 50 CO 0.52 1.41 -0.71 1.05 -0.00 0.00 0.00 177.39 179.66 2klg h GLU 51 N 5.70 0.23 -0.02 1.47 4.11 -1.93 -3.41 114.58 120.73 2klg h GLU 51 Ca 0.68 -0.39 0.00 0.00 0.07 0.00 0.00 59.36 59.72 2klg h GLU 51 Cb 0.49 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2klg h GLU 51 CO 1.84 1.19 -0.04 -0.44 0.07 0.00 0.00 179.01 181.63 2klg h ASP 52 N -0.15 -0.13 0.00 3.06 5.19 -2.01 -3.46 116.42 118.93 2klg h ASP 52 Ca -0.40 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 2klg h ASP 52 Cb 1.89 0.05 0.00 0.00 0.18 0.00 0.00 39.33 41.45 2klg h ASP 52 CO 0.04 -0.03 0.00 0.61 -3.12 0.00 0.00 179.24 176.74 2klg n GLY 53 N -1.03 -1.11 3.95 2.75 0.00 -1.26 -5.00 105.19 103.49 2klg n GLY 53 Ca -0.00 0.34 -0.23 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 2.31 0.16 1.61 1.81 -1.26 -4.76 118.95 118.83 2klg s ARG 54 Ca 0.00 -1.83 0.02 0.00 -1.72 0.00 0.00 55.73 52.20 2klg s ARG 54 Cb 0.00 -2.33 -0.04 0.00 -0.45 0.00 0.00 34.95 32.14 2klg s ARG 54 CO 0.00 -0.65 0.31 -0.08 -0.68 0.00 0.00 175.30 174.21 2klg s THR 55 N -2.70 5.29 0.15 0.02 -1.32 -1.26 -1.45 115.64 114.37 2klg s THR 55 Ca 0.45 -0.60 -0.17 0.00 -1.21 0.00 0.00 61.69 60.17 2klg s THR 55 Cb -0.04 -3.74 -0.00 0.00 -1.51 0.00 0.00 72.50 67.21 2klg s THR 55 CO 0.28 -0.12 1.79 -0.07 -2.21 0.00 0.00 174.62 174.30 2klg h LEU 56 N 2.09 0.34 -1.09 9.08 4.07 -1.86 -2.50 115.31 125.43 2klg h LEU 56 Ca -0.48 0.00 0.15 0.00 0.08 0.00 0.00 57.88 57.63 2klg h LEU 56 Cb 1.19 -0.07 -0.09 0.00 1.08 0.00 0.00 40.66 42.77 2klg h LEU 56 CO 0.68 0.25 0.61 -1.28 -1.08 0.00 0.00 178.44 177.63 2klg h SER 57 N 0.43 0.80 -0.62 -0.43 0.87 -1.79 -0.08 113.55 112.73 2klg h SER 57 Ca 0.14 0.06 0.18 0.00 -1.23 0.00 0.00 61.79 60.93 2klg h SER 57 Cb -0.01 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 2klg h SER 57 CO -0.06 0.37 0.44 -0.78 -0.53 0.00 0.00 176.83 176.28 2klg h ASP 58 N 0.83 0.02 -1.01 6.23 3.58 -1.78 -0.92 116.42 123.38 2klg h ASP 58 Ca 0.51 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 57.29 2klg h ASP 58 Cb 0.71 -0.00 -0.30 0.00 1.72 0.00 0.00 39.33 41.45 2klg h ASP 58 CO -0.29 0.01 0.72 -1.22 -2.88 0.00 0.00 179.24 175.58 2klg n TYR 59 N -4.36 3.19 -2.17 0.28 4.01 -0.08 -4.87 117.16 113.16 2klg n TYR 59 Ca 0.12 -2.94 -0.16 0.00 -0.16 0.00 0.00 57.90 54.76 2klg n TYR 59 Cb 0.68 -1.34 -0.02 0.00 -0.31 0.00 0.00 39.34 38.35 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 -0.89 -4.53 -4.45 7.72 2.85 -0.35 -4.91 115.26 110.71 2klg n ASN 60 Ca 0.61 0.19 -0.43 0.00 -0.11 0.00 0.00 54.58 54.83 2klg n ASN 60 Cb 0.68 -3.89 -0.04 0.00 1.24 0.00 0.00 39.78 37.77 2klg n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2klg s ILE 61 N -2.66 4.47 0.45 -1.44 1.01 -0.94 -5.00 121.20 117.09 2klg s ILE 61 Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.27 2klg s ILE 61 Cb 0.00 -4.59 0.00 0.00 0.01 0.00 0.00 42.46 37.88 2klg s ILE 61 CO 0.00 -1.29 0.65 -1.10 0.00 0.00 0.00 174.94 173.20 2klg s GLN 62 N 3.66 2.94 0.62 2.79 -0.21 -1.26 -3.73 119.66 124.47 2klg s GLN 62 Ca 0.21 -0.70 -0.18 0.00 0.02 0.00 0.00 55.36 54.71 2klg s GLN 62 Cb -0.18 -2.61 -0.07 0.00 1.00 0.00 0.00 33.01 31.16 2klg s GLN 62 CO 0.11 -0.31 0.56 1.17 -2.12 0.00 0.00 175.29 174.70 2klg n LYS 63 N -2.04 0.49 -1.70 2.91 4.81 -1.26 -1.90 118.16 119.47 2klg n LYS 63 Ca 0.03 0.20 -0.18 0.00 -0.87 0.00 0.00 58.31 57.49 2klg n LYS 63 Cb 0.58 -1.78 -0.06 0.00 0.02 0.00 0.00 35.03 33.79 2klg n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2klg n GLU 64 N -0.33 -1.31 -1.59 1.64 1.02 -0.79 -4.98 120.64 114.31 2klg n GLU 64 Ca 0.11 1.09 -0.29 0.00 -0.02 0.00 0.00 57.16 58.05 2klg n GLU 64 Cb 0.48 -5.41 0.13 0.00 -0.02 0.00 0.00 31.44 26.62 2klg n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2klg s SER 65 N -2.67 3.65 -0.39 1.62 0.01 -0.80 -4.86 113.70 110.25 2klg s SER 65 Ca 0.00 0.93 -0.16 0.00 1.31 0.00 0.00 55.95 58.03 2klg s SER 65 Cb 0.00 -1.50 0.01 0.00 0.21 0.00 0.00 66.02 64.74 2klg s SER 65 CO 0.00 -2.46 0.40 0.42 0.41 0.00 0.00 173.24 172.01 2klg s THR 66 N -3.32 5.12 -0.32 1.44 -4.23 -1.26 -4.11 115.64 108.95 2klg s THR 66 Ca 0.64 -0.24 -0.13 0.00 -1.18 0.00 0.00 61.69 60.77 2klg s THR 66 Cb -0.14 -3.96 -0.02 0.00 1.34 0.00 0.00 72.50 69.71 2klg s THR 66 CO 0.53 -0.31 0.28 -1.48 -0.54 0.00 0.00 174.62 173.10 2klg s LEU 67 N 2.07 4.37 -0.36 4.79 0.05 -1.22 -4.96 118.68 123.42 2klg s LEU 67 Ca 0.12 -0.23 -0.08 0.00 0.05 0.00 0.00 54.13 53.98 2klg s LEU 67 Cb -0.17 -2.22 0.04 0.00 -2.05 0.00 0.00 46.19 41.78 2klg s LEU 67 CO 0.13 -0.23 0.15 -1.00 -0.55 0.00 0.00 176.35 174.85 2klg s HIS 68 N 1.85 3.25 0.72 3.48 3.76 -1.26 -2.90 115.29 124.19 2klg s HIS 68 Ca 0.09 -1.24 0.02 0.00 -0.15 0.00 0.00 55.06 53.78 2klg s HIS 68 Cb -0.17 -2.37 0.14 0.00 1.11 0.00 0.00 32.58 31.29 2klg s HIS 68 CO 0.11 -0.70 0.98 -0.51 -0.85 0.00 0.00 174.74 173.77 2klg s LEU 69 N 1.47 2.95 0.00 0.89 1.02 -1.26 0.59 118.68 124.33 2klg s LEU 69 Ca 0.00 -0.58 0.04 0.00 0.02 0.00 0.00 54.13 53.61 2klg s LEU 69 Cb -0.19 -1.68 0.04 0.00 0.02 0.00 0.00 46.19 44.38 2klg s LEU 69 CO 0.04 -1.87 0.37 0.52 0.02 0.00 0.00 176.35 175.43 2klg n VAL 70 N -2.77 0.00 -2.57 -1.59 0.31 -1.23 -4.81 118.33 105.66 2klg n VAL 70 Ca 0.17 -1.83 -0.41 0.00 -0.01 0.00 0.00 64.34 62.26 2klg n VAL 70 Cb 0.61 -0.13 -0.04 0.00 -0.91 0.00 0.00 33.84 33.37 2klg n VAL 70 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2klg s LEU 71 N 0.00 4.48 0.01 7.52 1.43 -1.26 -4.95 118.68 125.90 2klg s LEU 71 Ca 0.28 1.99 0.13 0.00 -1.03 0.00 0.00 54.13 55.50 2klg s LEU 71 Cb -0.02 -3.60 -0.20 0.00 0.03 0.00 0.00 46.19 42.40 2klg s LEU 71 CO 0.18 -0.20 0.80 0.08 0.23 0.00 0.00 176.35 177.44 2klg h ARG 72 N 5.39 0.00 0.07 1.70 0.11 -1.98 -3.38 114.38 116.29 2klg h ARG 72 Ca -0.44 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.64 2klg h ARG 72 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2klg h ARG 72 CO 0.73 0.51 -0.03 1.25 0.10 0.00 0.00 179.97 182.53 2klg h LEU 73 N 0.00 -0.08-10.48 0.08 5.85 -2.05 -3.46 115.31 105.18 2klg h LEU 73 Ca -0.22 -0.45 -0.45 0.00 0.84 0.00 0.00 57.88 57.60 2klg h LEU 73 Cb 1.88 0.02 0.05 0.00 0.37 0.00 0.00 40.66 42.98 2klg h LEU 73 CO 0.08 0.44 0.06 -0.13 -0.34 0.00 0.00 178.44 178.54 2klg s ARG 74 N -4.02 2.61 0.00 1.25 0.52 -1.26 -5.07 118.95 112.98 2klg s ARG 74 Ca -0.15 -0.47 0.00 0.00 -0.52 0.00 0.00 55.73 54.59 2klg s ARG 74 Cb 0.01 -2.38 0.00 0.00 0.52 0.00 0.00 34.95 33.10 2klg s ARG 74 CO 0.62 -0.76 0.00 0.41 0.02 0.00 0.00 175.30 175.59 2klg n GLY 75 N -2.48 4.46 0.00 -3.53 0.00 -1.26 -4.77 105.19 97.60 2klg n GLY 75 Ca 0.06 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2klg n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93