#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 0.71 -4.28 2.12 1.13 -1.26 -5.03 117.38 110.77 2klg n GLN 2 Ca 0.00 0.30 -0.18 0.00 -1.94 0.00 0.00 57.00 55.18 2klg n GLN 2 Cb 0.00 -1.68 -0.09 0.00 0.11 0.00 0.00 30.24 28.58 2klg n GLN 2 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 2klg s ILE 3 N -2.52 0.08 -0.34 5.09 -4.36 -1.24 -3.42 121.20 114.49 2klg s ILE 3 Ca -0.26 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.16 2klg s ILE 3 Cb 0.07 -2.49 0.10 0.00 1.25 0.00 0.00 42.46 41.39 2klg s ILE 3 CO 0.71 0.00 0.06 -0.36 0.24 0.00 0.00 174.94 175.58 2klg s PHE 4 N -3.63 3.68 -0.01 1.37 0.40 -1.26 -4.66 117.98 113.88 2klg s PHE 4 Ca 0.39 -2.83 0.01 0.00 -0.60 0.00 0.00 56.93 53.90 2klg s PHE 4 Cb 0.04 -2.86 0.00 0.00 0.51 0.00 0.00 43.02 40.71 2klg s PHE 4 CO 0.22 -0.94 -0.04 0.54 0.70 0.00 0.00 175.22 175.69 2klg s VAL 5 N 0.96 0.38 0.40 -0.44 0.11 -1.26 -4.45 120.40 116.10 2klg s VAL 5 Ca 0.08 -0.18 0.08 0.00 -2.93 0.00 0.00 61.98 59.03 2klg s VAL 5 Cb -0.20 -0.34 -0.02 0.00 -1.53 0.00 0.00 36.38 34.29 2klg s VAL 5 CO -0.07 0.12 0.34 -0.54 -3.33 0.00 0.00 175.10 171.62 2klg s LYS 6 N 0.06 2.55 0.00 1.54 1.02 -1.26 -3.15 119.74 120.50 2klg s LYS 6 Ca -0.00 -1.50 0.00 0.00 0.02 0.00 0.00 55.97 54.49 2klg s LYS 6 Cb -0.04 -2.37 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 2klg s LYS 6 CO -0.00 -0.12 0.00 0.25 -0.92 0.00 0.00 175.35 174.56 2klg n THR 7 N -1.48 0.00 0.29 2.17 -2.24 -1.21 -4.83 114.28 106.98 2klg n THR 7 Ca 0.02 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 61.96 2klg n THR 7 Cb 0.61 -1.00 0.86 0.00 -2.10 0.00 0.00 70.33 68.70 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 0.00 0.00 3.22 -0.00 -1.96 -2.33 115.31 114.25 2klg h LEU 8 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2klg h LEU 8 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2klg h LEU 8 CO 0.00 0.06 -1.05 1.07 -0.00 0.00 0.00 178.44 178.52 2klg n THR 9 N -3.38 0.00 -0.54 0.15 5.66 -1.26 -4.99 114.28 109.93 2klg n THR 9 Ca -0.02 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 2klg n THR 9 Cb 0.20 0.93 0.00 0.00 -1.55 0.00 0.00 70.33 69.91 2klg n THR 9 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2klg n GLY 10 N 1.47 1.56 3.92 1.09 0.00 -0.88 -5.10 105.19 107.26 2klg n GLY 10 Ca 0.03 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.80 2.11 -0.29 1.61 2.20 -1.26 -4.76 119.74 117.55 2klg s LYS 11 Ca 0.00 -0.20 -0.10 0.00 -0.36 0.00 0.00 55.97 55.32 2klg s LYS 11 Cb 0.00 -2.12 -0.03 0.00 -1.51 0.00 0.00 37.83 34.17 2klg s LYS 11 CO 0.00 -1.34 0.15 -0.08 -0.36 0.00 0.00 175.35 173.72 2klg s THR 12 N -3.33 4.80 0.19 3.43 -1.32 -1.26 -3.31 115.64 114.84 2klg s THR 12 Ca 0.61 -0.16 0.09 0.00 -1.21 0.00 0.00 61.69 61.01 2klg s THR 12 Cb -0.11 -3.35 -0.04 0.00 -1.51 0.00 0.00 72.50 67.49 2klg s THR 12 CO 0.46 0.18 -0.17 0.27 -2.21 0.00 0.00 174.62 173.15 2klg s ILE 13 N 1.67 1.85 -0.20 5.08 -4.36 -1.19 -5.06 121.20 118.98 2klg s ILE 13 Ca 0.06 -2.08 -0.06 0.00 -0.26 0.00 0.00 60.65 58.31 2klg s ILE 13 Cb -0.16 -1.96 -0.03 0.00 1.25 0.00 0.00 42.46 41.55 2klg s ILE 13 CO 0.07 -0.43 0.04 0.42 0.24 0.00 0.00 174.94 175.28 2klg s THR 14 N -2.46 4.37 0.04 8.37 -4.23 -1.26 -4.33 115.64 116.15 2klg s THR 14 Ca 0.20 -0.17 0.05 0.00 -1.18 0.00 0.00 61.69 60.59 2klg s THR 14 Cb -0.04 -2.99 -0.02 0.00 1.34 0.00 0.00 72.50 70.79 2klg s THR 14 CO 0.07 0.42 -0.15 -0.22 -0.54 0.00 0.00 174.62 174.20 2klg s LEU 15 N 0.88 2.18 0.11 4.79 0.20 -1.26 -5.03 118.68 120.54 2klg s LEU 15 Ca 0.03 -0.47 0.02 0.00 0.69 0.00 0.00 54.13 54.39 2klg s LEU 15 Cb -0.14 -0.66 -0.04 0.00 -0.43 0.00 0.00 46.19 44.92 2klg s LEU 15 CO 0.02 0.05 0.22 -1.61 -0.29 0.00 0.00 176.35 174.74 2klg s GLU 16 N -1.17 3.34 -0.04 1.98 0.41 -1.26 -3.70 118.70 118.25 2klg s GLU 16 Ca 0.02 -0.57 0.02 0.00 -0.41 0.00 0.00 54.97 54.03 2klg s GLU 16 Cb -0.08 -2.94 0.01 0.00 -1.78 0.00 0.00 34.13 29.34 2klg s GLU 16 CO 0.01 0.56 -0.06 0.08 -0.49 0.00 0.00 175.26 175.36 2klg s VAL 17 N -1.61 0.64 0.25 2.63 1.01 -1.26 -5.08 120.40 116.97 2klg s VAL 17 Ca 0.34 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.17 2klg s VAL 17 Cb -0.12 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 2klg s VAL 17 CO 0.27 0.23 0.16 -1.83 0.00 0.00 0.00 175.10 173.93 2klg s GLU 18 N 0.62 2.82 0.18 2.72 1.03 -1.26 -4.92 118.70 119.88 2klg s GLU 18 Ca -0.09 -1.12 -0.16 0.00 0.03 0.00 0.00 54.97 53.64 2klg s GLU 18 Cb -0.12 -2.49 0.14 0.00 -0.80 0.00 0.00 34.13 30.85 2klg s GLU 18 CO 0.01 0.40 1.66 -1.35 -1.33 0.00 0.00 175.26 174.64 2klg h PRO 19 N 1.57 0.01 -1.33 -4.83 0.11 -2.02 -1.08 132.00 124.42 2klg h PRO 19 Ca -0.48 -0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.31 2klg h PRO 19 Cb 1.24 -0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.20 2klg h PRO 19 CO 0.61 0.00 0.41 -1.13 -0.21 0.00 0.00 178.00 177.68 2klg n SER 20 N -5.34 5.53 -4.57 -2.05 3.41 -1.26 -4.73 113.62 104.61 2klg n SER 20 Ca 0.04 -3.02 -0.40 0.00 -0.26 0.00 0.00 58.87 55.23 2klg n SER 20 Cb 0.25 -0.93 -0.03 0.00 -0.26 0.00 0.00 64.21 63.24 2klg n SER 20 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2klg s ASP 21 N -0.03 5.50 0.03 4.04 -4.77 -0.41 -4.96 116.67 116.07 2klg s ASP 21 Ca 0.32 0.71 -0.25 0.00 -3.30 0.00 0.00 52.55 50.03 2klg s ASP 21 Cb 0.26 -2.53 -0.05 0.00 -1.09 0.00 0.00 42.92 39.51 2klg s ASP 21 CO 0.01 -2.12 0.75 0.42 0.70 0.00 0.00 175.17 174.93 2klg s THR 22 N 8.27 4.77 0.26 2.11 -4.23 -1.26 -1.62 115.64 123.95 2klg s THR 22 Ca 0.72 1.60 -0.02 0.00 -1.18 0.00 0.00 61.69 62.81 2klg s THR 22 Cb -0.16 -4.10 0.12 0.00 1.34 0.00 0.00 72.50 69.70 2klg s THR 22 CO 0.26 0.35 1.77 -0.29 -0.54 0.00 0.00 174.62 176.17 2klg h ILE 23 N 4.19 1.24 -0.53 2.99 6.09 -1.04 -3.11 117.51 127.35 2klg h ILE 23 Ca -0.44 -0.98 0.11 0.00 -1.37 0.00 0.00 64.86 62.17 2klg h ILE 23 Cb 1.20 0.86 -0.11 0.00 0.47 0.00 0.00 36.82 39.25 2klg h ILE 23 CO 0.71 0.35 -0.21 -0.08 -3.07 0.00 0.00 178.15 175.85 2klg h GLU 24 N 0.74 -0.09 -2.09 2.19 4.81 -1.63 -1.02 114.58 117.48 2klg h GLU 24 Ca 0.15 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 2klg h GLU 24 Cb 0.44 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2klg h GLU 24 CO 0.02 -0.06 -0.06 -1.71 -0.73 0.00 0.00 179.01 176.47 2klg n ASN 25 N -5.41 3.93 -0.00 1.04 2.85 -1.17 -4.27 115.26 112.21 2klg n ASN 25 Ca 0.05 -2.11 -0.17 0.00 -0.11 0.00 0.00 54.58 52.23 2klg n ASN 25 Cb 0.32 -0.91 -0.07 0.00 1.24 0.00 0.00 39.78 40.36 2klg n ASN 25 CO 0.00 0.00 0.00 1.62 -2.11 0.00 0.00 177.26 176.77 2klg h VAL 26 N 1.62 1.29 -0.67 3.44 3.04 -1.37 -3.03 116.25 120.56 2klg h VAL 26 Ca 0.05 -2.06 0.07 0.00 -1.01 0.00 0.00 66.70 63.76 2klg h VAL 26 Cb 0.88 2.09 -0.06 0.00 -2.01 0.00 0.00 31.29 32.18 2klg h VAL 26 CO 0.11 0.65 0.36 0.11 -1.01 0.00 0.00 177.57 177.78 2klg h LYS 27 N 0.49 0.62 -0.54 4.17 6.56 -1.86 0.62 116.57 126.63 2klg h LYS 27 Ca -0.07 -0.04 -0.05 0.00 -1.06 0.00 0.00 60.65 59.44 2klg h LYS 27 Cb 1.47 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 32.97 2klg h LYS 27 CO 0.17 0.41 0.15 0.00 -2.06 0.00 0.00 179.45 178.12 2klg h ALA 28 N 1.38 0.71 -0.14 3.86 0.00 -1.90 0.67 119.26 123.83 2klg h ALA 28 Ca 0.31 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2klg h ALA 28 Cb 0.25 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2klg h ALA 28 CO -0.22 0.39 -0.22 0.87 0.00 0.00 0.00 179.25 180.07 2klg h LYS 29 N 0.75 0.40 -0.23 0.00 1.57 -1.26 -3.10 116.57 114.69 2klg h LYS 29 Ca 0.17 -0.24 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 2klg h LYS 29 Cb 0.31 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2klg h LYS 29 CO -0.00 0.82 -0.47 0.97 -0.57 0.00 0.00 179.45 180.20 2klg h ILE 30 N 0.01 1.31 -0.03 1.86 6.09 0.27 -2.88 117.51 124.12 2klg h ILE 30 Ca 0.01 -1.68 0.01 0.00 -1.37 0.00 0.00 64.86 61.84 2klg h ILE 30 Cb 0.79 1.64 -0.00 0.00 0.47 0.00 0.00 36.82 39.71 2klg h ILE 30 CO 0.05 0.53 0.04 -0.61 -3.07 0.00 0.00 178.15 175.09 2klg h GLN 31 N 0.48 0.00 -0.47 2.19 -0.00 0.34 -2.27 115.11 115.38 2klg h GLN 31 Ca 0.03 0.00 0.14 0.00 -0.00 0.00 0.00 58.65 58.81 2klg h GLN 31 Cb 1.00 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.46 2klg h GLN 31 CO 0.09 0.00 0.55 0.22 0.00 0.00 0.00 178.83 179.70 2klg h ASP 32 N 0.00 0.00 -0.08 -0.69 1.82 -1.43 0.12 116.42 116.16 2klg h ASP 32 Ca 0.01 0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 56.41 2klg h ASP 32 Cb 0.10 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.12 2klg h ASP 32 CO -0.00 0.00 -0.90 0.50 -1.61 0.00 0.00 179.24 177.23 2klg h LYS 33 N 0.00 0.76 0.00 0.28 3.11 -1.63 -3.47 116.57 115.62 2klg h LYS 33 Ca 0.22 -0.70 0.00 0.00 -2.81 0.00 0.00 60.65 57.36 2klg h LYS 33 Cb 1.33 0.17 0.00 0.00 -1.00 0.00 0.00 32.23 32.73 2klg h LYS 33 CO -0.00 1.29 0.00 -0.85 -2.81 0.00 0.00 179.45 177.08 2klg n GLU 34 N -3.90 0.00 0.00 1.90 0.28 0.40 -5.08 120.64 114.24 2klg n GLU 34 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 2klg n GLU 34 Cb 0.81 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.68 2klg n GLU 34 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2klg n GLY 35 N 0.00 0.48 3.58 -1.84 0.00 -1.16 -5.00 105.19 101.26 2klg n GLY 35 Ca 0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 3.90 0.24 -0.61 2.07 -1.26 -4.92 121.20 120.61 2klg s ILE 36 Ca 0.00 0.80 -0.00 0.00 -1.41 0.00 0.00 60.65 60.03 2klg s ILE 36 Cb 0.00 -4.53 0.02 0.00 0.13 0.00 0.00 42.46 38.08 2klg s ILE 36 CO 0.00 -1.19 1.64 -0.65 -1.91 0.00 0.00 174.94 172.83 2klg h PRO 37 N 10.41 0.56 -6.12 3.50 0.11 -2.02 -3.44 132.00 134.99 2klg h PRO 37 Ca -0.26 -0.25 -0.57 0.00 0.11 0.00 0.00 66.00 65.03 2klg h PRO 37 Cb 1.08 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2klg h PRO 37 CO 1.17 0.82 1.40 -1.25 -0.21 0.00 0.00 178.00 179.93 2klg s PRO 38 N -4.37 3.48 0.00 1.05 0.04 -1.26 -4.84 135.00 129.10 2klg s PRO 38 Ca -0.07 2.20 0.08 0.00 0.04 0.00 0.00 61.00 63.24 2klg s PRO 38 Cb 0.13 -4.29 0.46 0.00 0.04 0.00 0.00 34.50 30.83 2klg s PRO 38 CO 0.81 -1.71 0.92 -0.40 0.04 0.00 0.00 177.00 176.66 2klg n ASP 39 N 10.25 0.00 -0.65 6.66 5.75 -1.26 -2.95 116.55 134.34 2klg n ASP 39 Ca 0.26 -0.79 0.07 0.00 -0.01 0.00 0.00 54.79 54.32 2klg n ASP 39 Cb 0.44 0.00 0.21 0.00 -1.03 0.00 0.00 41.12 40.74 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 -0.73 1.82 -2.65 0.11 6.02 -1.26 -4.79 117.38 115.90 2klg n GLN 40 Ca 0.06 -1.26 -0.42 0.00 -0.01 0.00 0.00 57.00 55.37 2klg n GLN 40 Cb 0.03 -1.31 -0.03 0.00 1.02 0.00 0.00 30.24 29.95 2klg n GLN 40 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2klg s GLN 41 N -1.57 3.19 0.26 -1.09 -2.07 -1.15 0.28 119.66 117.50 2klg s GLN 41 Ca 0.26 -0.48 0.02 0.00 -1.82 0.00 0.00 55.36 53.33 2klg s GLN 41 Cb 0.14 -4.26 -0.05 0.00 -1.09 0.00 0.00 33.01 27.75 2klg s GLN 41 CO 0.19 -2.05 0.09 0.50 -1.32 0.00 0.00 175.29 172.70 2klg s ARG 42 N 5.15 1.42 -0.07 9.60 3.52 -1.13 -4.98 118.95 132.46 2klg s ARG 42 Ca 0.32 -1.77 -0.09 0.00 -0.13 0.00 0.00 55.73 54.06 2klg s ARG 42 Cb -0.10 -0.33 -0.05 0.00 -1.56 0.00 0.00 34.95 32.91 2klg s ARG 42 CO 0.12 -0.28 0.23 -1.17 -0.81 0.00 0.00 175.30 173.39 2klg s LEU 43 N -3.33 4.41 -0.88 -0.88 1.98 -1.26 -2.38 118.68 116.34 2klg s LEU 43 Ca 0.37 0.60 0.01 0.00 -2.89 0.00 0.00 54.13 52.22 2klg s LEU 43 Cb 0.08 -2.29 0.31 0.00 0.66 0.00 0.00 46.19 44.94 2klg s LEU 43 CO 0.13 0.36 1.34 0.00 -1.89 0.00 0.00 176.35 176.30 2klg n ILE 44 N 1.80 4.56 -3.66 6.68 3.06 -1.09 -4.56 119.36 126.15 2klg n ILE 44 Ca -0.17 -5.75 -0.10 0.00 -2.50 0.00 0.00 62.75 54.23 2klg n ILE 44 Cb 0.54 -1.79 -0.10 0.00 0.54 0.00 0.00 39.64 38.82 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 -3.34 -0.69 -1.90 9.51 2.19 -1.26 -4.83 117.98 117.67 2klg s PHE 45 Ca 0.39 1.37 0.00 0.00 0.33 0.00 0.00 56.93 59.02 2klg s PHE 45 Cb 0.16 0.22 0.00 0.00 -1.31 0.00 0.00 43.02 42.09 2klg s PHE 45 CO -0.03 -0.44 0.00 0.00 1.83 0.00 0.00 175.22 176.58 2klg n ALA 46 N 5.26 -0.46 -3.97 11.12 0.00 -1.26 -3.12 120.51 128.08 2klg n ALA 46 Ca -0.10 0.23 -0.34 0.00 0.00 0.00 0.00 53.44 53.23 2klg n ALA 46 Cb 0.50 -2.07 -0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 -0.60 3.75 0.00 0.00 -1.26 -4.94 105.19 101.34 2klg n GLY 47 Ca -0.22 0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 2klg n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2klg s LYS 48 N -6.79 3.69 0.34 1.61 -2.85 -1.18 -5.10 119.74 109.46 2klg s LYS 48 Ca 0.28 -0.25 -0.08 0.00 -1.00 0.00 0.00 55.97 54.92 2klg s LYS 48 Cb -0.13 -3.19 -0.06 0.00 -2.06 0.00 0.00 37.83 32.39 2klg s LYS 48 CO 0.92 0.52 0.66 -0.65 0.10 0.00 0.00 175.35 176.91 2klg s GLN 49 N -0.32 3.73 0.15 1.78 -1.52 -1.26 -4.55 119.66 117.68 2klg s GLN 49 Ca 0.10 0.27 -0.10 0.00 -1.95 0.00 0.00 55.36 53.68 2klg s GLN 49 Cb -0.12 -2.52 -0.01 0.00 -0.22 0.00 0.00 33.01 30.14 2klg s GLN 49 CO 0.01 0.10 1.49 1.37 -0.25 0.00 0.00 175.29 178.02 2klg h LEU 50 N 1.57 0.96 -1.43 2.90 8.10 -1.94 -2.96 115.31 122.51 2klg h LEU 50 Ca -0.47 -0.44 0.00 0.00 0.11 0.00 0.00 57.88 57.08 2klg h LEU 50 Cb 1.19 -0.27 0.00 0.00 -0.44 0.00 0.00 40.66 41.14 2klg h LEU 50 CO 0.65 1.23 0.00 -0.62 -4.11 0.00 0.00 178.44 175.59 2klg n GLU 51 N -4.05 1.95 -0.27 0.17 -0.58 -1.26 -2.34 120.64 114.25 2klg n GLU 51 Ca -0.02 -1.34 0.08 0.00 -0.42 0.00 0.00 57.16 55.47 2klg n GLU 51 Cb 0.55 -1.34 0.22 0.00 -0.57 0.00 0.00 31.44 30.29 2klg n GLU 51 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2klg h ASP 52 N 2.12 -0.08 0.00 1.62 1.82 -1.88 -3.46 116.42 116.56 2klg h ASP 52 Ca 0.00 0.18 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 2klg h ASP 52 Cb 0.56 0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.83 2klg h ASP 52 CO 0.02 -0.12 0.00 0.61 -1.61 0.00 0.00 179.24 178.15 2klg n GLY 53 N -1.38 0.87 3.01 -0.78 0.00 -1.26 -5.00 105.19 100.64 2klg n GLY 53 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 2klg n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2klg n ARG 54 N -2.11 0.81 -3.88 1.61 5.12 -1.26 -4.85 116.66 112.11 2klg n ARG 54 Ca 0.00 -2.63 -0.31 0.00 -1.93 0.00 0.00 57.85 52.98 2klg n ARG 54 Cb 0.00 0.16 -0.04 0.00 -1.16 0.00 0.00 32.46 31.41 2klg n ARG 54 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2klg s THR 55 N -2.05 5.35 0.24 0.55 -1.32 -1.26 -0.44 115.64 116.71 2klg s THR 55 Ca 0.31 -0.34 -0.06 0.00 -1.21 0.00 0.00 61.69 60.39 2klg s THR 55 Cb -0.02 -3.63 0.21 0.00 -1.51 0.00 0.00 72.50 67.54 2klg s THR 55 CO 0.20 0.11 1.87 -0.07 -2.21 0.00 0.00 174.62 174.51 2klg h LEU 56 N 2.99 1.12 -1.79 9.08 3.38 -1.57 -2.26 115.31 126.25 2klg h LEU 56 Ca -0.45 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.46 2klg h LEU 56 Cb 1.16 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2klg h LEU 56 CO 0.75 0.89 0.22 -1.28 0.09 0.00 0.00 178.44 179.11 2klg h SER 57 N 1.26 0.23 -0.81 -0.43 0.87 -1.80 -0.12 113.55 112.74 2klg h SER 57 Ca 0.32 -0.00 0.15 0.00 -1.23 0.00 0.00 61.79 61.03 2klg h SER 57 Cb 0.02 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 61.87 2klg h SER 57 CO -0.05 0.16 0.53 0.44 -0.53 0.00 0.00 176.83 177.38 2klg h ASP 58 N 0.26 0.46 -0.83 6.23 3.32 -1.75 0.05 116.42 124.15 2klg h ASP 58 Ca 0.14 0.03 -0.46 0.00 0.02 0.00 0.00 57.03 56.75 2klg h ASP 58 Cb 0.21 -0.06 -0.26 0.00 0.22 0.00 0.00 39.33 39.44 2klg h ASP 58 CO -0.03 0.23 0.46 -1.22 -1.72 0.00 0.00 179.24 176.96 2klg n TYR 59 N -4.50 2.61 -1.18 4.55 4.02 -0.77 -4.89 117.16 116.99 2klg n TYR 59 Ca 0.16 -1.98 -0.06 0.00 -0.01 0.00 0.00 57.90 56.01 2klg n TYR 59 Cb 0.54 -0.89 -0.03 0.00 -0.02 0.00 0.00 39.34 38.94 2klg n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2klg n ASN 60 N -1.10 -5.08 -3.80 7.72 2.85 0.00 -4.90 115.26 110.95 2klg n ASN 60 Ca 0.53 0.15 -0.42 0.00 -0.11 0.00 0.00 54.58 54.74 2klg n ASN 60 Cb 1.36 -3.13 0.00 0.00 1.24 0.00 0.00 39.78 39.25 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 -2.37 4.54 -2.96 -1.44 5.41 -0.13 -4.94 119.36 117.46 2klg n ILE 61 Ca -0.06 -4.45 -0.17 0.00 1.00 0.00 0.00 62.75 59.07 2klg n ILE 61 Cb 0.43 -2.30 0.07 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 3.37 0.55 -1.50 0.38 10.64 -1.26 -3.47 117.38 126.10 2klg n GLN 62 Ca 0.43 -2.68 -0.41 0.00 -1.83 0.00 0.00 57.00 52.51 2klg n GLN 62 Cb 0.34 -0.27 0.01 0.00 -0.86 0.00 0.00 30.24 29.47 2klg n GLN 62 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 2klg n LYS 63 N -2.18 0.75 -1.17 2.61 0.00 -1.26 -1.19 118.16 115.72 2klg n LYS 63 Ca 0.14 0.27 -0.06 0.00 -0.00 0.00 0.00 58.31 58.67 2klg n LYS 63 Cb 0.52 -1.67 -0.03 0.00 -0.00 0.00 0.00 35.03 33.85 2klg n LYS 63 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2klg n GLU 64 N 0.36 -1.29 -1.20 -1.58 4.07 -1.22 -4.99 120.64 114.78 2klg n GLU 64 Ca 0.11 0.62 -0.23 0.00 -0.06 0.00 0.00 57.16 57.61 2klg n GLU 64 Cb 0.40 -4.73 0.17 0.00 -0.06 0.00 0.00 31.44 27.23 2klg n GLU 64 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2klg n SER 65 N -0.62 -0.65 -4.32 4.31 2.88 -0.33 -4.98 113.62 109.91 2klg n SER 65 Ca -0.06 -1.23 -0.45 0.00 -1.33 0.00 0.00 58.87 55.80 2klg n SER 65 Cb 0.41 -0.77 -0.01 0.00 -0.75 0.00 0.00 64.21 63.09 2klg n SER 65 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2klg s THR 66 N -2.95 5.74 -0.40 2.46 2.01 -1.26 -4.67 115.64 116.56 2klg s THR 66 Ca 0.56 -3.13 -0.15 0.00 0.31 0.00 0.00 61.69 59.27 2klg s THR 66 Cb -0.03 -4.48 0.01 0.00 0.01 0.00 0.00 72.50 68.01 2klg s THR 66 CO 0.41 -1.12 0.34 -0.22 -0.69 0.00 0.00 174.62 173.33 2klg s LEU 67 N -0.78 4.90 -0.20 4.42 0.20 -1.26 -4.96 118.68 120.99 2klg s LEU 67 Ca 0.26 -0.71 -0.06 0.00 0.69 0.00 0.00 54.13 54.31 2klg s LEU 67 Cb -0.10 -2.24 -0.03 0.00 -0.43 0.00 0.00 46.19 43.39 2klg s LEU 67 CO -0.08 -0.45 0.02 -2.28 -0.29 0.00 0.00 176.35 173.27 2klg s HIS 68 N 1.84 3.09 -0.40 5.38 2.46 -1.26 -4.55 115.29 121.85 2klg s HIS 68 Ca 0.08 -0.31 -0.17 0.00 0.47 0.00 0.00 55.06 55.13 2klg s HIS 68 Cb -0.18 -2.09 0.01 0.00 -0.13 0.00 0.00 32.58 30.19 2klg s HIS 68 CO 0.11 -0.14 0.43 -1.17 -2.47 0.00 0.00 174.74 171.50 2klg s LEU 69 N 0.87 4.76 0.11 8.88 2.96 -1.26 -2.66 118.68 132.33 2klg s LEU 69 Ca 0.02 -0.56 0.08 0.00 -0.22 0.00 0.00 54.13 53.44 2klg s LEU 69 Cb -0.14 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 2klg s LEU 69 CO 0.02 -0.54 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.69 2klg s VAL 70 N 2.15 3.18 -0.67 1.68 1.01 -1.00 -4.93 120.40 121.82 2klg s VAL 70 Ca 0.13 -1.35 -0.23 0.00 0.00 0.00 0.00 61.98 60.52 2klg s VAL 70 Cb -0.17 -2.48 0.07 0.00 0.00 0.00 0.00 36.38 33.80 2klg s VAL 70 CO 0.13 0.11 1.00 -1.48 0.00 0.00 0.00 175.10 174.86 2klg s LEU 71 N -2.18 4.26 -0.51 3.92 0.05 -1.26 -2.83 118.68 120.13 2klg s LEU 71 Ca 0.20 -0.93 -0.20 0.00 0.05 0.00 0.00 54.13 53.25 2klg s LEU 71 Cb -0.11 -2.43 0.06 0.00 -2.05 0.00 0.00 46.19 41.65 2klg s LEU 71 CO 0.12 -1.48 0.67 -0.13 -0.55 0.00 0.00 176.35 174.98 2klg s ARG 72 N 4.24 3.15 -0.00 1.48 3.00 0.14 -4.93 118.95 126.03 2klg s ARG 72 Ca 0.23 -0.80 -0.23 0.00 0.00 0.00 0.00 55.73 54.93 2klg s ARG 72 Cb -0.16 -4.09 -0.18 0.00 0.00 0.00 0.00 34.95 30.52 2klg s ARG 72 CO 0.11 -1.25 1.26 -0.07 0.00 0.00 0.00 175.30 175.34 2klg h LEU 73 N 9.87 0.20 -9.09 2.53 3.38 -1.95 -3.38 115.31 116.86 2klg h LEU 73 Ca -0.27 -0.53 -0.60 0.00 0.09 0.00 0.00 57.88 56.57 2klg h LEU 73 Cb 1.09 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.68 2klg h LEU 73 CO 0.98 0.69 0.08 -0.13 0.09 0.00 0.00 178.44 180.15 2klg s ARG 74 N -4.08 4.18 0.00 1.13 3.00 -1.26 -4.77 118.95 117.15 2klg s ARG 74 Ca -0.15 0.54 0.00 0.00 0.00 0.00 0.00 55.73 56.12 2klg s ARG 74 Cb 0.03 -3.59 0.00 0.00 0.00 0.00 0.00 34.95 31.39 2klg s ARG 74 CO 0.72 -0.25 0.00 0.41 0.00 0.00 0.00 175.30 176.18 2klg n GLY 75 N 3.90 -0.41 0.00 -3.53 0.00 -1.26 -5.17 105.19 98.72 2klg n GLY 75 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2klg n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93