#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 0.72 -4.18 2.12 1.13 -1.22 -4.92 117.38 111.03 2klg n GLN 2 Ca 0.00 0.22 -0.11 0.00 -1.94 0.00 0.00 57.00 55.18 2klg n GLN 2 Cb 0.00 -1.66 -0.10 0.00 0.11 0.00 0.00 30.24 28.59 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 -2.55 0.19 -0.28 5.09 -4.36 -1.21 0.10 121.20 118.18 2klg s ILE 3 Ca -0.23 -1.94 0.01 0.00 -0.26 0.00 0.00 60.65 58.24 2klg s ILE 3 Cb 0.07 -2.14 0.08 0.00 1.25 0.00 0.00 42.46 41.72 2klg s ILE 3 CO 0.74 -0.39 0.02 -0.36 0.24 0.00 0.00 174.94 175.19 2klg s PHE 4 N -4.00 2.55 0.24 1.37 0.08 -1.26 -4.19 117.98 112.77 2klg s PHE 4 Ca 0.27 -2.06 -0.00 0.00 0.12 0.00 0.00 56.93 55.25 2klg s PHE 4 Cb 0.07 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 2klg s PHE 4 CO 0.04 -0.85 0.43 0.08 -0.10 0.00 0.00 175.22 174.82 2klg s VAL 5 N 1.33 5.18 0.09 -0.44 1.01 -1.26 -4.31 120.40 122.00 2klg s VAL 5 Ca 0.03 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.63 2klg s VAL 5 Cb -0.18 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2klg s VAL 5 CO -0.12 -0.28 0.06 -0.75 0.00 0.00 0.00 175.10 174.01 2klg s LYS 6 N -3.60 2.78 0.00 2.72 2.20 -1.26 -4.16 119.74 118.42 2klg s LYS 6 Ca 0.39 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 2klg s LYS 6 Cb -0.10 -2.67 0.00 0.00 -1.51 0.00 0.00 37.83 33.55 2klg s LYS 6 CO 0.30 0.55 0.00 0.25 -0.36 0.00 0.00 175.35 176.10 2klg n THR 7 N 0.45 0.00 0.07 3.43 -2.24 -1.26 -4.44 114.28 110.28 2klg n THR 7 Ca -0.09 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.67 2klg n THR 7 Cb 0.52 -0.77 0.26 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.34 0.00 3.22 -0.00 -1.94 -3.41 115.31 113.52 2klg h LEU 8 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 2klg h LEU 8 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 40.57 2klg h LEU 8 CO 0.00 0.61 0.00 1.07 -0.00 0.00 0.00 178.44 180.12 2klg n THR 9 N -4.13 0.00 -2.62 0.15 5.66 -1.26 -4.64 114.28 107.44 2klg n THR 9 Ca -0.01 0.07 -0.03 0.00 -3.05 0.00 0.00 64.05 61.03 2klg n THR 9 Cb 0.39 -0.87 0.01 0.00 -1.55 0.00 0.00 70.33 68.32 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 3.14 -0.35 3.80 1.09 0.00 -1.26 -5.11 105.19 106.50 2klg n GLY 10 Ca 0.00 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 0.05 4.40 -0.36 1.61 2.20 -1.26 -4.90 119.74 121.47 2klg s LYS 11 Ca 0.05 1.03 -0.19 0.00 -0.36 0.00 0.00 55.97 56.50 2klg s LYS 11 Cb 0.11 -2.99 0.00 0.00 -1.51 0.00 0.00 37.83 33.45 2klg s LYS 11 CO -0.03 0.44 0.56 -0.08 -0.36 0.00 0.00 175.35 175.87 2klg s THR 12 N -1.42 4.97 0.01 3.43 -1.32 -1.26 -4.02 115.64 116.02 2klg s THR 12 Ca 0.42 0.35 0.06 0.00 -1.21 0.00 0.00 61.69 61.31 2klg s THR 12 Cb -0.19 -4.02 -0.03 0.00 -1.51 0.00 0.00 72.50 66.75 2klg s THR 12 CO 0.23 -0.29 -0.16 0.27 -2.21 0.00 0.00 174.62 172.47 2klg s ILE 13 N 2.51 2.97 -0.27 5.08 -4.36 -1.26 -5.09 121.20 120.78 2klg s ILE 13 Ca 0.20 -0.98 -0.08 0.00 -0.26 0.00 0.00 60.65 59.53 2klg s ILE 13 Cb -0.15 -2.22 -0.02 0.00 1.25 0.00 0.00 42.46 41.31 2klg s ILE 13 CO 0.14 0.43 0.10 0.42 0.24 0.00 0.00 174.94 176.27 2klg s THR 14 N -0.87 4.43 0.07 8.37 -4.23 -1.26 -4.17 115.64 117.98 2klg s THR 14 Ca 0.14 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.42 2klg s THR 14 Cb -0.11 -3.13 -0.04 0.00 1.34 0.00 0.00 72.50 70.56 2klg s THR 14 CO 0.04 0.26 -0.04 -1.48 -0.54 0.00 0.00 174.62 172.85 2klg s LEU 15 N 1.62 2.48 0.00 4.79 2.34 -1.26 -5.06 118.68 123.59 2klg s LEU 15 Ca 0.06 -0.98 0.05 0.00 0.06 0.00 0.00 54.13 53.33 2klg s LEU 15 Cb -0.16 0.09 0.05 0.00 -0.56 0.00 0.00 46.19 45.62 2klg s LEU 15 CO 0.05 -0.53 0.44 1.21 -1.06 0.00 0.00 176.35 176.45 2klg n GLU 16 N 0.14 0.80 -3.63 1.48 2.13 -1.26 -3.32 120.64 116.98 2klg n GLU 16 Ca -0.14 -1.84 -0.29 0.00 0.66 0.00 0.00 57.16 55.55 2klg n GLU 16 Cb 0.61 -0.10 -0.15 0.00 0.27 0.00 0.00 31.44 32.07 2klg n GLU 16 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2klg s VAL 17 N -1.15 0.34 0.16 6.31 1.01 -1.26 -4.90 120.40 120.91 2klg s VAL 17 Ca 0.33 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.37 2klg s VAL 17 Cb -0.03 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 2klg s VAL 17 CO 0.21 -0.68 0.09 -1.83 0.00 0.00 0.00 175.10 172.90 2klg s GLU 18 N 1.89 2.76 0.59 2.72 -1.05 -1.26 -5.00 118.70 119.36 2klg s GLU 18 Ca 0.09 -0.92 0.35 0.00 -0.15 0.00 0.00 54.97 54.34 2klg s GLU 18 Cb -0.17 -2.57 1.89 0.00 -0.44 0.00 0.00 34.13 32.84 2klg s GLU 18 CO -0.30 0.48 2.22 -1.00 0.95 0.00 0.00 175.26 177.61 2klg h PRO 19 N 2.59 0.00 0.10 -4.83 0.13 -2.01 -2.61 132.00 125.36 2klg h PRO 19 Ca -0.47 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.39 2klg h PRO 19 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 2klg h PRO 19 CO 0.62 0.03 -1.17 0.66 -0.23 0.00 0.00 178.00 177.92 2klg h SER 20 N 0.00 0.48 -1.70 1.44 4.64 -2.02 -3.42 113.55 112.96 2klg h SER 20 Ca -0.00 -0.47 -0.48 0.00 -0.47 0.00 0.00 61.79 60.37 2klg h SER 20 Cb 0.16 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 62.04 2klg h SER 20 CO 0.00 1.33 1.17 -1.81 -0.87 0.00 0.00 176.83 176.66 2klg s ASP 21 N -7.15 5.61 0.86 4.97 1.01 -0.99 -4.98 116.67 116.00 2klg s ASP 21 Ca -0.05 -0.28 -0.07 0.00 0.71 0.00 0.00 52.55 52.86 2klg s ASP 21 Cb 0.07 -2.55 0.14 0.00 1.01 0.00 0.00 42.92 41.60 2klg s ASP 21 CO 0.88 -2.22 0.90 0.35 0.21 0.00 0.00 175.17 175.29 2klg n THR 22 N 7.11 0.00 0.14 -1.27 -2.24 -1.26 -4.30 114.28 112.45 2klg n THR 22 Ca 0.22 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 2klg n THR 22 Cb 0.50 -1.38 0.29 0.00 -2.10 0.00 0.00 70.33 67.64 2klg n THR 22 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2klg h ILE 23 N -1.16 1.29 -0.08 2.28 1.08 -1.56 -3.19 117.51 116.18 2klg h ILE 23 Ca -0.29 -1.40 -0.04 0.00 -0.39 0.00 0.00 64.86 62.74 2klg h ILE 23 Cb 0.91 1.68 -0.00 0.00 -3.07 0.00 0.00 36.82 36.34 2klg h ILE 23 CO 0.25 0.41 -0.09 -0.08 -0.69 0.00 0.00 178.15 177.94 2klg h GLU 24 N 0.10 0.20 -2.02 2.37 4.22 -1.47 -3.25 114.58 114.73 2klg h GLU 24 Ca 0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 59.36 59.33 2klg h GLU 24 Cb 0.73 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 2klg h GLU 24 CO 0.05 0.66 -0.01 0.09 -2.18 0.00 0.00 179.01 177.62 2klg n ASN 25 N -4.67 4.00 0.10 1.04 3.02 -1.20 -4.23 115.26 113.32 2klg n ASN 25 Ca -0.07 -2.07 -0.05 0.00 -0.03 0.00 0.00 54.58 52.35 2klg n ASN 25 Cb 0.33 -0.86 0.07 0.00 -0.61 0.00 0.00 39.78 38.70 2klg n ASN 25 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2klg h VAL 26 N 1.33 1.48 -0.33 2.41 -1.51 -1.69 -3.15 116.25 114.79 2klg h VAL 26 Ca 0.01 -2.40 0.01 0.00 -1.23 0.00 0.00 66.70 63.09 2klg h VAL 26 Cb 0.78 2.29 -0.02 0.00 -2.13 0.00 0.00 31.29 32.22 2klg h VAL 26 CO 0.02 0.69 0.22 0.11 -1.23 0.00 0.00 177.57 177.39 2klg h LYS 27 N 0.07 0.41 0.48 5.19 1.79 -1.90 -1.88 116.57 120.72 2klg h LYS 27 Ca -0.02 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 2klg h LYS 27 Cb 1.30 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.85 2klg h LYS 27 CO 0.11 0.27 -0.34 0.00 -1.08 0.00 0.00 179.45 178.41 2klg h ALA 28 N 1.80 -0.81 -0.56 3.86 0.00 -1.90 0.56 119.26 122.22 2klg h ALA 28 Ca 0.12 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2klg h ALA 28 Cb -0.00 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2klg h ALA 28 CO -0.03 -0.98 0.13 1.57 0.00 0.00 0.00 179.25 179.94 2klg h LYS 29 N -0.79 0.86 0.00 0.00 2.10 -1.65 -1.93 116.57 115.15 2klg h LYS 29 Ca -0.05 -0.18 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 2klg h LYS 29 Cb 0.67 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 2klg h LYS 29 CO 0.02 0.78 0.00 0.82 -2.00 0.00 0.00 179.45 179.07 2klg h ILE 30 N 0.83 0.00 0.00 0.07 2.04 -1.07 -3.11 117.51 116.26 2klg h ILE 30 Ca 0.18 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2klg h ILE 30 Cb 0.31 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2klg h ILE 30 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 178.15 179.82 2klg n GLN 31 N -2.45 0.03 -0.27 2.37 -0.06 0.19 -3.21 117.38 113.99 2klg n GLN 31 Ca 0.03 0.39 0.26 0.00 -2.00 0.00 0.00 57.00 55.68 2klg n GLN 31 Cb 0.34 -1.57 0.61 0.00 -4.06 0.00 0.00 30.24 25.56 2klg n GLN 31 CO 0.00 0.00 0.00 0.22 -0.20 0.00 0.00 177.06 177.08 2klg h ASP 32 N 0.00 0.23 0.85 1.69 3.58 -1.69 0.26 116.42 121.35 2klg h ASP 32 Ca 0.00 0.04 -0.21 0.00 0.42 0.00 0.00 57.03 57.27 2klg h ASP 32 Cb 0.15 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 2klg h ASP 32 CO 0.00 0.06 -1.24 0.07 -2.88 0.00 0.00 179.24 175.25 2klg h LYS 33 N 0.21 0.00 -2.04 0.28 2.10 -1.86 -3.48 116.57 111.79 2klg h LYS 33 Ca 0.52 0.00 -0.40 0.00 -2.00 0.00 0.00 60.65 58.77 2klg h LYS 33 Cb 1.63 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.89 2klg h LYS 33 CO -0.14 0.61 -0.45 0.39 -2.00 0.00 0.00 179.45 177.87 2klg n GLU 34 N -3.14 -1.49 -1.82 0.07 -0.58 0.93 -4.83 120.64 109.79 2klg n GLU 34 Ca -0.07 1.05 -0.02 0.00 -0.42 0.00 0.00 57.16 57.70 2klg n GLU 34 Cb 0.93 -5.54 0.02 0.00 -0.57 0.00 0.00 31.44 26.28 2klg n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2klg n GLY 35 N -0.83 1.19 3.49 0.62 0.00 -1.26 -5.08 105.19 103.33 2klg n GLY 35 Ca -0.22 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.67 4.64 0.07 -0.61 1.10 -1.26 -4.95 121.20 119.52 2klg s ILE 36 Ca 0.17 -0.02 -0.24 0.00 -0.51 0.00 0.00 60.65 60.05 2klg s ILE 36 Cb 0.26 -4.39 -0.16 0.00 0.15 0.00 0.00 42.46 38.32 2klg s ILE 36 CO -0.08 -0.91 1.64 -0.65 -2.11 0.00 0.00 174.94 172.83 2klg h PRO 37 N 9.12 -0.00 -5.27 3.50 0.11 -2.02 -3.40 132.00 134.05 2klg h PRO 37 Ca -0.26 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 2klg h PRO 37 Cb 1.08 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2klg h PRO 37 CO 1.01 0.10 0.41 -2.30 -0.21 0.00 0.00 178.00 177.01 2klg n PRO 38 N -5.04 0.44 -0.06 1.05 -0.02 -1.26 -4.75 135.00 125.36 2klg n PRO 38 Ca -0.07 -0.69 -0.07 0.00 -2.02 0.00 0.00 63.50 60.64 2klg n PRO 38 Cb 0.08 -3.17 0.10 0.00 -0.02 0.00 0.00 33.50 30.49 2klg n PRO 38 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2klg h ASP 39 N 12.34 0.73 -1.49 2.55 1.82 -1.91 -3.10 116.42 127.36 2klg h ASP 39 Ca 0.01 -0.28 -0.71 0.00 -0.39 0.00 0.00 57.03 55.66 2klg h ASP 39 Cb 1.03 -0.20 -0.29 0.00 0.68 0.00 0.00 39.33 40.54 2klg h ASP 39 CO 1.13 0.96 0.84 0.00 -1.61 0.00 0.00 179.24 180.55 2klg n GLN 40 N -4.09 2.79 -2.88 0.28 6.02 -1.26 -4.99 117.38 113.24 2klg n GLN 40 Ca -0.00 -3.49 -0.40 0.00 -0.01 0.00 0.00 57.00 53.10 2klg n GLN 40 Cb 0.45 -2.28 -0.05 0.00 1.02 0.00 0.00 30.24 29.38 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 -3.93 4.62 0.29 -1.09 0.74 -1.17 -4.64 119.66 114.47 2klg s GLN 41 Ca 0.58 1.26 0.02 0.00 0.05 0.00 0.00 55.36 57.26 2klg s GLN 41 Cb 0.47 -3.34 -0.03 0.00 1.10 0.00 0.00 33.01 31.22 2klg s GLN 41 CO -0.21 0.35 0.28 1.03 -0.55 0.00 0.00 175.29 176.19 2klg s ARG 42 N -0.41 1.60 0.07 1.67 0.52 -1.25 -4.95 118.95 116.19 2klg s ARG 42 Ca 0.41 -1.81 0.04 0.00 -0.52 0.00 0.00 55.73 53.85 2klg s ARG 42 Cb -0.23 0.34 -0.04 0.00 0.52 0.00 0.00 34.95 35.54 2klg s ARG 42 CO 0.27 -0.59 0.01 -0.48 0.02 0.00 0.00 175.30 174.53 2klg s LEU 43 N -3.26 3.53 -1.10 2.53 2.34 -1.26 -1.95 118.68 119.51 2klg s LEU 43 Ca 0.37 -0.12 -0.08 0.00 0.06 0.00 0.00 54.13 54.36 2klg s LEU 43 Cb 0.03 -2.22 0.28 0.00 -0.56 0.00 0.00 46.19 43.72 2klg s LEU 43 CO 0.20 0.19 1.11 -0.38 -1.06 0.00 0.00 176.35 176.42 2klg n ILE 44 N 0.69 4.49 -3.70 1.48 5.41 -0.49 -4.74 119.36 122.50 2klg n ILE 44 Ca -0.11 -5.40 -0.11 0.00 1.00 0.00 0.00 62.75 58.14 2klg n ILE 44 Cb 0.52 -2.54 -0.11 0.00 -0.71 0.00 0.00 39.64 36.80 2klg n ILE 44 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 2klg s PHE 45 N -1.39 -0.57 -1.97 1.39 2.19 -1.26 -4.82 117.98 111.54 2klg s PHE 45 Ca 0.31 1.23 0.00 0.00 0.33 0.00 0.00 56.93 58.80 2klg s PHE 45 Cb -0.09 0.24 0.00 0.00 -1.31 0.00 0.00 43.02 41.86 2klg s PHE 45 CO -0.07 -0.33 0.00 0.00 1.83 0.00 0.00 175.22 176.64 2klg n ALA 46 N 4.28 -0.50 -4.28 11.12 0.00 -1.26 -2.65 120.51 127.22 2klg n ALA 46 Ca -0.23 0.24 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2klg n ALA 46 Cb 0.55 -2.15 -0.04 0.00 0.00 0.00 0.00 19.45 17.81 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 -0.77 -0.42 3.55 0.00 0.00 -1.26 -4.93 105.19 101.36 2klg n GLY 47 Ca -0.23 0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -6.99 3.72 0.78 1.61 -0.14 -1.08 -5.11 119.74 112.53 2klg s LYS 48 Ca 0.71 -0.46 -0.04 0.00 -1.36 0.00 0.00 55.97 54.81 2klg s LYS 48 Cb -0.39 -2.99 0.15 0.00 -1.68 0.00 0.00 37.83 32.91 2klg s LYS 48 CO 0.95 0.28 1.07 1.14 -0.76 0.00 0.00 175.35 178.03 2klg s GLN 49 N 0.29 1.42 0.51 1.68 0.00 -1.26 -4.73 119.66 117.58 2klg s GLN 49 Ca -0.01 -0.95 0.30 0.00 -0.00 0.00 0.00 55.36 54.69 2klg s GLN 49 Cb -0.13 -2.22 1.29 0.00 0.00 0.00 0.00 33.01 31.95 2klg s GLN 49 CO 0.02 -1.68 1.97 -0.07 0.00 0.00 0.00 175.29 175.52 2klg h LEU 50 N -0.80 0.00 -2.86 2.60 3.38 -1.93 -2.93 115.31 112.78 2klg h LEU 50 Ca -0.38 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.38 2klg h LEU 50 Cb 1.26 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.88 2klg h LEU 50 CO 0.40 0.11 0.27 1.21 0.09 0.00 0.00 178.44 180.51 2klg n GLU 51 N -3.31 1.84 -0.19 1.13 4.07 -1.26 -1.29 120.64 121.63 2klg n GLU 51 Ca -0.00 -1.49 -0.02 0.00 -0.06 0.00 0.00 57.16 55.59 2klg n GLU 51 Cb 0.32 -1.63 0.05 0.00 -0.06 0.00 0.00 31.44 30.12 2klg n GLU 51 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 2klg h ASP 52 N 0.75 -0.66 0.00 4.31 1.82 -1.85 -3.46 116.42 117.33 2klg h ASP 52 Ca 0.26 0.19 0.00 0.00 -0.39 0.00 0.00 57.03 57.08 2klg h ASP 52 Cb 1.80 0.40 0.00 0.00 0.68 0.00 0.00 39.33 42.21 2klg h ASP 52 CO 0.49 -0.22 0.00 0.61 -1.61 0.00 0.00 179.24 178.51 2klg n GLY 53 N -1.42 3.12 2.36 -0.78 0.00 -1.26 -5.05 105.19 102.16 2klg n GLY 53 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.17 0.93 -3.73 1.61 1.74 -1.26 -4.88 116.66 109.89 2klg n ARG 54 Ca 0.00 -2.06 -0.30 0.00 -0.77 0.00 0.00 57.85 54.72 2klg n ARG 54 Cb 0.00 0.12 -0.04 0.00 -1.02 0.00 0.00 32.46 31.52 2klg n ARG 54 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2klg s THR 55 N -1.55 5.23 0.23 0.55 2.01 -1.26 -1.64 115.64 119.21 2klg s THR 55 Ca 0.24 -0.20 -0.06 0.00 0.31 0.00 0.00 61.69 61.98 2klg s THR 55 Cb -0.02 -3.67 0.19 0.00 0.01 0.00 0.00 72.50 69.01 2klg s THR 55 CO 0.15 -0.02 1.77 -0.07 -0.69 0.00 0.00 174.62 175.76 2klg h LEU 56 N 2.57 0.43 -0.15 4.42 3.38 -1.84 -2.41 115.31 121.71 2klg h LEU 56 Ca -0.46 0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.63 2klg h LEU 56 Cb 1.17 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.87 2klg h LEU 56 CO 0.72 0.23 -0.23 -1.28 0.09 0.00 0.00 178.44 177.97 2klg h SER 57 N 0.57 -0.71 0.43 -0.43 0.87 -1.92 -0.55 113.55 111.82 2klg h SER 57 Ca 0.37 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 2klg h SER 57 Cb 0.43 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 2klg h SER 57 CO -0.30 -0.28 0.00 -2.24 -0.53 0.00 0.00 176.83 173.48 2klg h ASP 58 N -0.28 0.00 -0.90 6.23 3.04 -1.82 -2.68 116.42 120.02 2klg h ASP 58 Ca 0.11 0.00 -0.48 0.00 -3.24 0.00 0.00 57.03 53.41 2klg h ASP 58 Cb 0.44 0.00 -0.28 0.00 -1.04 0.00 0.00 39.33 38.45 2klg h ASP 58 CO -0.31 0.00 0.61 0.00 -2.04 0.00 0.00 179.24 177.51 2klg n TYR 59 N -2.89 2.79 0.00 4.15 4.19 -0.27 -4.90 117.16 120.23 2klg n TYR 59 Ca -0.01 -1.83 0.00 0.00 3.31 0.00 0.00 57.90 59.37 2klg n TYR 59 Cb 0.16 -0.93 0.00 0.00 0.49 0.00 0.00 39.34 39.06 2klg n TYR 59 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 2klg n ASN 60 N -0.95 0.00 -3.57 2.98 4.13 -1.01 -4.82 115.26 112.01 2klg n ASN 60 Ca 0.54 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 56.40 2klg n ASN 60 Cb 1.47 -0.59 -0.00 0.00 -1.54 0.00 0.00 39.78 39.12 2klg n ASN 60 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2klg n ILE 61 N -1.54 4.94 -2.28 2.41 0.13 -0.85 -4.94 119.36 117.24 2klg n ILE 61 Ca 0.00 -4.22 0.00 0.00 -1.10 0.00 0.00 62.75 57.43 2klg n ILE 61 Cb 0.00 -2.19 0.00 0.00 -0.84 0.00 0.00 39.64 36.61 2klg n ILE 61 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2klg n GLN 62 N 2.42 1.23 -1.34 9.51 10.64 -1.25 -4.02 117.38 134.57 2klg n GLN 62 Ca 0.58 0.00 -0.45 0.00 -1.83 0.00 0.00 57.00 55.30 2klg n GLN 62 Cb 0.28 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.64 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 -0.74 0.00 -1.26 2.61 4.01 -1.26 -0.64 118.16 120.88 2klg n LYS 63 Ca 0.00 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.71 2klg n LYS 63 Cb 0.00 -0.99 -0.04 0.00 -0.51 0.00 0.00 35.03 33.49 2klg n LYS 63 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 2klg n GLU 64 N 1.15 -1.22 -1.62 1.97 4.07 0.29 -4.99 120.64 120.28 2klg n GLU 64 Ca 0.15 0.75 -0.30 0.00 -0.06 0.00 0.00 57.16 57.71 2klg n GLU 64 Cb 0.32 -4.87 0.18 0.00 -0.06 0.00 0.00 31.44 27.00 2klg n GLU 64 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2klg s SER 65 N -2.49 2.78 -0.70 4.31 1.04 0.19 -5.01 113.70 113.82 2klg s SER 65 Ca 0.00 0.57 -0.09 0.00 0.48 0.00 0.00 55.95 56.91 2klg s SER 65 Cb 0.00 -0.84 0.18 0.00 0.10 0.00 0.00 66.02 65.47 2klg s SER 65 CO 0.00 -2.97 0.59 0.42 0.98 0.00 0.00 173.24 172.26 2klg s THR 66 N -3.49 4.73 -0.42 2.02 -4.23 -1.26 -4.63 115.64 108.36 2klg s THR 66 Ca 0.70 -2.56 -0.16 0.00 -1.18 0.00 0.00 61.69 58.49 2klg s THR 66 Cb -0.09 -3.99 0.02 0.00 1.34 0.00 0.00 72.50 69.79 2klg s THR 66 CO 0.53 -0.94 0.36 -0.76 -0.54 0.00 0.00 174.62 173.28 2klg s LEU 67 N 0.25 5.05 -0.53 4.79 1.02 -1.26 -4.96 118.68 123.03 2klg s LEU 67 Ca 0.16 -0.85 -0.09 0.00 0.02 0.00 0.00 54.13 53.37 2klg s LEU 67 Cb -0.16 -2.25 0.14 0.00 0.02 0.00 0.00 46.19 43.93 2klg s LEU 67 CO -0.06 -0.52 0.40 -2.28 0.02 0.00 0.00 176.35 173.91 2klg s HIS 68 N 1.87 3.46 -0.15 0.29 2.46 -1.26 -4.10 115.29 117.87 2klg s HIS 68 Ca 0.08 -2.02 -0.16 0.00 0.47 0.00 0.00 55.06 53.42 2klg s HIS 68 Cb -0.19 -3.49 -0.04 0.00 -0.13 0.00 0.00 32.58 28.73 2klg s HIS 68 CO 0.11 -0.97 0.40 -1.17 -2.47 0.00 0.00 174.74 170.63 2klg s LEU 69 N 1.02 4.25 0.16 8.88 2.96 -1.26 -1.39 118.68 133.30 2klg s LEU 69 Ca 0.09 0.66 0.08 0.00 -0.22 0.00 0.00 54.13 54.74 2klg s LEU 69 Cb -0.24 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.87 2klg s LEU 69 CO -0.02 0.03 -0.10 0.54 -1.32 0.00 0.00 176.35 175.48 2klg s VAL 70 N 0.65 3.23 0.09 1.68 0.11 -0.82 -4.53 120.40 120.81 2klg s VAL 70 Ca 0.21 -1.54 -0.30 0.00 -2.93 0.00 0.00 61.98 57.43 2klg s VAL 70 Cb -0.14 -2.57 -0.06 0.00 -1.53 0.00 0.00 36.38 32.08 2klg s VAL 70 CO 0.07 -0.04 1.08 -1.48 -3.33 0.00 0.00 175.10 171.40 2klg s LEU 71 N -2.62 4.43 -0.17 2.54 0.05 -1.26 -3.94 118.68 117.71 2klg s LEU 71 Ca 0.23 1.92 -0.20 0.00 0.05 0.00 0.00 54.13 56.14 2klg s LEU 71 Cb -0.10 -3.59 -0.03 0.00 -2.05 0.00 0.00 46.19 40.43 2klg s LEU 71 CO 0.15 -0.27 0.57 -0.60 -0.55 0.00 0.00 176.35 175.64 2klg s ARG 72 N 0.40 4.25 -0.01 1.48 6.06 -1.26 -4.97 118.95 124.90 2klg s ARG 72 Ca 0.52 0.54 -0.19 0.00 -2.50 0.00 0.00 55.73 54.10 2klg s ARG 72 Cb -0.26 -3.53 -0.33 0.00 0.06 0.00 0.00 34.95 30.88 2klg s ARG 72 CO 0.31 -0.09 0.94 -0.07 -2.50 0.00 0.00 175.30 173.88 2klg h LEU 73 N 7.65 0.65-10.43 -0.88 4.07 -1.95 -3.45 115.31 110.96 2klg h LEU 73 Ca -0.35 -0.94 -0.50 0.00 0.08 0.00 0.00 57.88 56.17 2klg h LEU 73 Cb 1.16 -0.21 0.07 0.00 1.08 0.00 0.00 40.66 42.76 2klg h LEU 73 CO 0.76 1.55 0.39 -0.13 -1.08 0.00 0.00 178.44 179.93 2klg s ARG 74 N -2.51 3.12 0.00 1.13 0.52 -1.26 -4.69 118.95 115.26 2klg s ARG 74 Ca -0.12 0.51 0.00 0.00 -0.52 0.00 0.00 55.73 55.61 2klg s ARG 74 Cb 0.02 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.43 2klg s ARG 74 CO 0.88 -0.84 0.00 0.41 0.02 0.00 0.00 175.30 175.77 2klg n GLY 75 N -2.88 4.19 0.00 -3.53 0.00 -1.26 -4.78 105.19 96.94 2klg n GLY 75 Ca 0.06 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2klg n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93