#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 3.77 0.04 3.17 -0.21 -1.26 -4.16 119.66 121.01 2klg s GLN 2 Ca 0.00 0.24 0.00 0.00 0.02 0.00 0.00 55.36 55.63 2klg s GLN 2 Cb 0.00 -3.19 -0.03 0.00 1.00 0.00 0.00 33.01 30.80 2klg s GLN 2 CO 0.00 0.70 -0.04 -1.50 -2.12 0.00 0.00 175.29 172.33 2klg s ILE 3 N -1.11 0.28 -0.73 1.08 1.10 -1.26 -1.06 121.20 119.51 2klg s ILE 3 Ca 0.23 -1.22 0.04 0.00 -0.51 0.00 0.00 60.65 59.18 2klg s ILE 3 Cb -0.15 -0.72 0.18 0.00 0.15 0.00 0.00 42.46 41.91 2klg s ILE 3 CO 0.12 -0.61 0.53 0.12 -2.11 0.00 0.00 174.94 172.99 2klg s PHE 4 N -2.13 3.61 -0.03 3.50 5.36 -1.26 -4.79 117.98 122.24 2klg s PHE 4 Ca -0.07 -3.29 0.01 0.00 -0.96 0.00 0.00 56.93 52.62 2klg s PHE 4 Cb -0.05 -2.80 0.02 0.00 -0.34 0.00 0.00 43.02 39.84 2klg s PHE 4 CO -0.03 -0.59 -0.05 0.54 -1.46 0.00 0.00 175.22 173.64 2klg s VAL 5 N -1.38 0.53 0.45 3.12 0.11 -1.26 -4.49 120.40 117.48 2klg s VAL 5 Ca 0.25 -0.17 0.07 0.00 -2.93 0.00 0.00 61.98 59.20 2klg s VAL 5 Cb -0.06 -0.53 -0.00 0.00 -1.53 0.00 0.00 36.38 34.26 2klg s VAL 5 CO -0.15 0.21 0.41 -0.54 -3.33 0.00 0.00 175.10 171.70 2klg s LYS 6 N 0.62 2.45 0.34 1.54 3.01 -1.26 -2.56 119.74 123.89 2klg s LYS 6 Ca -0.08 -1.65 0.06 0.00 -1.01 0.00 0.00 55.97 53.29 2klg s LYS 6 Cb -0.12 -2.34 0.06 0.00 -1.01 0.00 0.00 37.83 34.42 2klg s LYS 6 CO 0.00 -0.33 0.47 0.25 0.51 0.00 0.00 175.35 176.25 2klg n THR 7 N -1.64 0.00 0.56 2.17 -2.24 -0.92 -4.76 114.28 107.45 2klg n THR 7 Ca 0.03 -1.13 0.05 0.00 -2.27 0.00 0.00 64.05 60.73 2klg n THR 7 Cb 0.62 -0.72 0.29 0.00 -2.10 0.00 0.00 70.33 68.42 2klg n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2klg n LEU 8 N 0.00 0.00 -0.13 3.22 -0.00 -1.26 -2.95 117.00 115.88 2klg n LEU 8 Ca 0.10 0.20 -0.23 0.00 -0.00 0.00 0.00 56.01 56.08 2klg n LEU 8 Cb 0.35 -0.20 -0.11 0.00 -0.00 0.00 0.00 43.42 43.46 2klg n LEU 8 CO 0.23 -0.13 -1.38 0.35 -0.00 0.00 0.00 177.39 176.46 2klg n THR 9 N -1.20 1.51 0.00 1.47 -2.24 -1.26 -4.67 114.28 107.88 2klg n THR 9 Ca 0.06 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2klg n THR 9 Cb 0.07 -1.62 0.00 0.00 -2.10 0.00 0.00 70.33 66.69 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 1.84 1.23 3.77 3.38 0.00 -1.15 -5.13 105.19 109.12 2klg n GLY 10 Ca -0.49 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 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 4.30 0.11 1.61 2.36 -1.26 -4.69 119.74 122.17 2klg s LYS 11 Ca 0.00 1.71 -0.05 0.00 -2.55 0.00 0.00 55.97 55.09 2klg s LYS 11 Cb 0.00 -2.81 -0.05 0.00 -1.05 0.00 0.00 37.83 33.91 2klg s LYS 11 CO 0.00 -0.07 0.34 -0.08 1.55 0.00 0.00 175.35 177.10 2klg s THR 12 N -1.41 5.21 0.13 3.43 -1.32 -1.26 -2.16 115.64 118.25 2klg s THR 12 Ca 0.53 0.02 0.08 0.00 -1.21 0.00 0.00 61.69 61.11 2klg s THR 12 Cb -0.28 -3.62 -0.04 0.00 -1.51 0.00 0.00 72.50 67.05 2klg s THR 12 CO 0.36 0.10 -0.20 -0.51 -2.21 0.00 0.00 174.62 172.16 2klg s ILE 13 N -1.58 1.76 -0.10 5.08 2.07 -1.06 -5.00 121.20 122.36 2klg s ILE 13 Ca 0.38 -1.71 -0.13 0.00 -1.41 0.00 0.00 60.65 57.79 2klg s ILE 13 Cb -0.12 -1.68 -0.05 0.00 0.13 0.00 0.00 42.46 40.73 2klg s ILE 13 CO 0.24 -0.17 0.30 -0.89 -1.91 0.00 0.00 174.94 172.51 2klg s THR 14 N -1.54 5.26 0.01 4.00 2.01 -1.26 -4.48 115.64 119.64 2klg s THR 14 Ca 0.10 0.57 0.01 0.00 0.31 0.00 0.00 61.69 62.69 2klg s THR 14 Cb -0.08 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 2klg s THR 14 CO 0.05 0.49 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.68 2klg s LEU 15 N -0.30 2.07 0.00 4.42 1.43 -1.26 -5.05 118.68 119.99 2klg s LEU 15 Ca 0.19 -0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 2klg s LEU 15 Cb -0.14 -0.10 -0.04 0.00 0.03 0.00 0.00 46.19 45.94 2klg s LEU 15 CO 0.07 -0.04 0.16 -1.61 0.23 0.00 0.00 176.35 175.16 2klg s GLU 16 N -0.44 3.34 -0.00 1.70 2.02 -1.26 -4.33 118.70 119.72 2klg s GLU 16 Ca -0.03 -0.38 -0.00 0.00 0.02 0.00 0.00 54.97 54.58 2klg s GLU 16 Cb -0.03 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.17 2klg s GLU 16 CO -0.00 0.66 0.01 0.08 0.02 0.00 0.00 175.26 176.02 2klg s VAL 17 N -1.32 -0.01 0.30 2.63 1.01 -1.26 -4.83 120.40 116.92 2klg s VAL 17 Ca 0.27 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.36 2klg s VAL 17 Cb -0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 36.38 36.20 2klg s VAL 17 CO 0.19 0.01 0.22 -1.83 0.00 0.00 0.00 175.10 173.69 2klg s GLU 18 N 0.16 2.73 0.17 2.72 -1.05 -1.26 -4.48 118.70 117.67 2klg s GLU 18 Ca -0.01 -1.24 -0.22 0.00 -0.15 0.00 0.00 54.97 53.34 2klg s GLU 18 Cb -0.02 -2.45 0.07 0.00 -0.44 0.00 0.00 34.13 31.29 2klg s GLU 18 CO -0.00 0.23 1.60 -1.35 0.95 0.00 0.00 175.26 176.68 2klg h PRO 19 N 1.41 -0.23 -1.59 -4.83 0.11 -2.02 -1.14 132.00 123.72 2klg h PRO 19 Ca -0.46 0.02 -0.38 0.00 0.11 0.00 0.00 66.00 65.28 2klg h PRO 19 Cb 1.25 0.05 -0.16 0.00 0.11 0.00 0.00 31.00 32.25 2klg h PRO 19 CO 0.60 -0.15 0.44 -1.13 -0.21 0.00 0.00 178.00 177.55 2klg n SER 20 N -5.42 6.55 -4.55 -2.05 3.41 -1.26 -4.56 113.62 105.75 2klg n SER 20 Ca 0.01 -3.14 -0.38 0.00 -0.26 0.00 0.00 58.87 55.11 2klg n SER 20 Cb 0.33 -1.09 -0.03 0.00 -0.26 0.00 0.00 64.21 63.16 2klg n SER 20 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2klg s ASP 21 N 0.09 5.52 0.07 4.04 -1.08 -0.43 -4.97 116.67 119.92 2klg s ASP 21 Ca 0.39 -0.08 -0.24 0.00 -0.52 0.00 0.00 52.55 52.10 2klg s ASP 21 Cb 0.29 -2.54 -0.06 0.00 -1.46 0.00 0.00 42.92 39.15 2klg s ASP 21 CO -0.05 -2.26 0.74 0.42 0.52 0.00 0.00 175.17 174.55 2klg s THR 22 N 8.22 4.65 -0.83 1.71 -4.23 -1.26 -3.04 115.64 120.86 2klg s THR 22 Ca 0.59 1.60 -0.24 0.00 -1.18 0.00 0.00 61.69 62.46 2klg s THR 22 Cb -0.10 -4.10 -0.17 0.00 1.34 0.00 0.00 72.50 69.47 2klg s THR 22 CO 0.15 0.42 1.90 -0.38 -0.54 0.00 0.00 174.62 176.16 2klg n ILE 23 N 2.42 1.48 0.23 2.99 5.41 -0.86 -3.54 119.36 127.48 2klg n ILE 23 Ca -0.04 -1.40 0.00 0.00 1.00 0.00 0.00 62.75 62.31 2klg n ILE 23 Cb 0.50 -2.20 0.00 0.00 -0.71 0.00 0.00 39.64 37.22 2klg n ILE 23 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2klg n GLU 24 N 7.64 0.00 0.06 0.38 4.71 -1.26 -4.75 120.64 127.42 2klg n GLU 24 Ca 0.47 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.55 2klg n GLU 24 Cb 0.43 0.00 0.08 0.00 -1.01 0.00 0.00 31.44 30.94 2klg n GLU 24 CO 0.00 0.00 0.00 -0.97 0.09 0.00 0.00 177.13 176.25 2klg h ASN 25 N 0.00 0.37 0.29 1.62 -0.73 -2.00 -3.03 115.58 112.10 2klg h ASN 25 Ca 0.00 -0.23 -0.02 0.00 1.87 0.00 0.00 56.30 57.93 2klg h ASN 25 Cb 0.00 -0.11 -0.00 0.00 0.27 0.00 0.00 38.32 38.48 2klg h ASN 25 CO 0.00 0.92 -0.09 0.58 -0.37 0.00 0.00 177.43 178.47 2klg h VAL 26 N 0.23 0.54 -0.87 2.57 2.07 -1.93 -2.73 116.25 116.13 2klg h VAL 26 Ca -0.01 -0.41 0.09 0.00 0.82 0.00 0.00 66.70 67.19 2klg h VAL 26 Cb 1.18 1.26 -0.07 0.00 -1.52 0.00 0.00 31.29 32.14 2klg h VAL 26 CO 0.11 0.09 0.52 0.50 0.02 0.00 0.00 177.57 178.81 2klg h LYS 27 N 0.00 0.86 -0.95 1.57 3.64 -1.86 -1.30 116.57 118.53 2klg h LYS 27 Ca -0.00 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2klg h LYS 27 Cb 0.26 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 2klg h LYS 27 CO 0.01 0.57 0.58 0.00 -2.27 0.00 0.00 179.45 178.34 2klg h ALA 28 N 1.46 1.23 -0.55 5.00 0.00 -1.66 -0.99 119.26 123.74 2klg h ALA 28 Ca 0.41 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 2klg h ALA 28 Cb 0.33 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2klg h ALA 28 CO -0.23 0.67 0.18 0.87 0.00 0.00 0.00 179.25 180.73 2klg h LYS 29 N 1.31 0.86 0.00 0.00 1.57 -1.38 -2.60 116.57 116.34 2klg h LYS 29 Ca 0.34 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 2klg h LYS 29 Cb -0.07 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 2klg h LYS 29 CO -0.07 0.78 -0.28 0.82 -0.57 0.00 0.00 179.45 180.13 2klg h ILE 30 N 0.77 0.73 -0.47 1.86 2.04 -1.02 -3.01 117.51 118.41 2klg h ILE 30 Ca 0.18 -1.22 0.14 0.00 1.00 0.00 0.00 64.86 64.96 2klg h ILE 30 Cb 0.28 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 2klg h ILE 30 CO -0.01 0.28 0.36 -0.61 0.00 0.00 0.00 178.15 178.17 2klg h GLN 31 N 0.00 0.00 -0.25 2.37 4.15 -0.77 -0.59 115.11 120.01 2klg h GLN 31 Ca -0.00 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.49 2klg h GLN 31 Cb 0.75 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 2klg h GLN 31 CO 0.04 0.00 0.34 0.22 -1.93 0.00 0.00 178.83 177.50 2klg h ASP 32 N 0.00 0.00 0.17 -0.69 3.58 -1.62 -2.83 116.42 115.02 2klg h ASP 32 Ca 0.22 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 2klg h ASP 32 Cb 0.94 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.00 2klg h ASP 32 CO -0.00 0.00 -0.08 0.50 -2.88 0.00 0.00 179.24 176.78 2klg h LYS 33 N 0.00 -0.21 0.00 0.28 3.11 -1.34 -3.47 116.57 114.94 2klg h LYS 33 Ca 0.12 0.01 -0.08 0.00 -2.81 0.00 0.00 60.65 57.89 2klg h LYS 33 Cb 0.80 0.05 -0.09 0.00 -1.00 0.00 0.00 32.23 31.99 2klg h LYS 33 CO -0.00 -0.14 0.20 0.39 -2.81 0.00 0.00 179.45 177.09 2klg n GLU 34 N -3.73 0.15 -1.86 1.90 -0.58 -1.09 -5.08 120.64 110.34 2klg n GLU 34 Ca -0.03 -0.67 -0.00 0.00 -0.42 0.00 0.00 57.16 56.04 2klg n GLU 34 Cb 0.09 -0.01 -0.00 0.00 -0.57 0.00 0.00 31.44 30.94 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 -0.46 -3.35 0.11 0.62 0.00 -1.10 -4.98 105.19 96.03 2klg n GLY 35 Ca -0.27 0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 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 0.98 1.15 -0.87 -0.61 6.09 -1.82 -3.37 117.51 119.06 2klg h ILE 36 Ca -0.03 -2.66 0.19 0.00 -1.37 0.00 0.00 64.86 61.00 2klg h ILE 36 Cb 0.06 2.55 -0.16 0.00 0.47 0.00 0.00 36.82 39.75 2klg h ILE 36 CO 0.03 0.65 -0.11 -0.65 -3.07 0.00 0.00 178.15 175.00 2klg h PRO 37 N 0.00 0.03 -4.67 2.19 0.11 -1.94 -3.43 132.00 124.29 2klg h PRO 37 Ca -0.03 -0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.52 2klg h PRO 37 Cb 1.56 -0.01 0.07 0.00 0.11 0.00 0.00 31.00 32.73 2klg h PRO 37 CO 0.09 0.02 -0.24 -2.30 -0.21 0.00 0.00 178.00 175.36 2klg n PRO 38 N -5.49 0.00 0.00 1.05 -0.01 -1.26 -4.79 135.00 124.50 2klg n PRO 38 Ca 0.15 0.00 0.07 0.00 -0.01 0.00 0.00 63.50 63.72 2klg n PRO 38 Cb 0.52 -0.93 0.44 0.00 -0.01 0.00 0.00 33.50 33.52 2klg n PRO 38 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 175.50 172.02 2klg n ASP 39 N 1.41 0.00 0.04 2.55 -0.08 -1.26 -2.60 116.55 116.61 2klg n ASP 39 Ca 0.15 -0.42 0.12 0.00 -1.51 0.00 0.00 54.79 53.12 2klg n ASP 39 Cb 0.14 -0.02 0.15 0.00 2.34 0.00 0.00 41.12 43.73 2klg n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2klg n GLN 40 N -1.02 0.24 -3.06 -0.67 1.13 -1.26 -4.64 117.38 108.10 2klg n GLN 40 Ca 0.11 0.05 -0.45 0.00 -1.94 0.00 0.00 57.00 54.77 2klg n GLN 40 Cb 0.06 -1.63 -0.02 0.00 0.11 0.00 0.00 30.24 28.75 2klg n GLN 40 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2klg s GLN 41 N -3.14 3.69 0.07 -1.09 -0.44 -1.07 -4.69 119.66 112.98 2klg s GLN 41 Ca 0.06 -2.12 0.01 0.00 -2.50 0.00 0.00 55.36 50.81 2klg s GLN 41 Cb 0.14 -4.78 -0.03 0.00 -1.64 0.00 0.00 33.01 26.70 2klg s GLN 41 CO 0.73 -1.61 -0.06 0.50 0.50 0.00 0.00 175.29 175.35 2klg s ARG 42 N 1.65 0.68 0.12 1.67 3.52 -1.26 -4.87 118.95 120.46 2klg s ARG 42 Ca 0.30 -1.10 0.01 0.00 -0.13 0.00 0.00 55.73 54.81 2klg s ARG 42 Cb -0.06 -0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.13 2klg s ARG 42 CO -0.08 -0.01 0.27 -0.48 -0.81 0.00 0.00 175.30 174.18 2klg s LEU 43 N -2.48 4.34 -0.87 -0.88 0.05 -1.26 -2.42 118.68 115.15 2klg s LEU 43 Ca 0.03 0.23 -0.00 0.00 0.05 0.00 0.00 54.13 54.44 2klg s LEU 43 Cb 0.00 -2.96 0.25 0.00 -2.05 0.00 0.00 46.19 41.43 2klg s LEU 43 CO -0.04 0.09 0.93 0.00 -0.55 0.00 0.00 176.35 176.77 2klg n ILE 44 N -0.25 3.35 -3.60 1.48 3.06 -0.52 -4.62 119.36 118.25 2klg n ILE 44 Ca -0.06 -5.32 -0.10 0.00 -2.50 0.00 0.00 62.75 54.77 2klg n ILE 44 Cb 0.53 -2.24 -0.10 0.00 0.54 0.00 0.00 39.64 38.37 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 -1.97 -0.73 -1.51 9.51 5.36 -1.26 -4.49 117.98 122.89 2klg s PHE 45 Ca 0.31 1.29 -0.04 0.00 -0.96 0.00 0.00 56.93 57.53 2klg s PHE 45 Cb 0.01 0.18 0.02 0.00 -0.34 0.00 0.00 43.02 42.89 2klg s PHE 45 CO -0.05 -0.50 0.44 0.00 -1.46 0.00 0.00 175.22 173.65 2klg n ALA 46 N 5.38 -0.92 -4.12 11.12 0.00 -1.26 -2.40 120.51 128.31 2klg n ALA 46 Ca -0.07 0.22 -0.30 0.00 0.00 0.00 0.00 53.44 53.29 2klg n ALA 46 Cb 0.50 -3.24 -0.04 0.00 0.00 0.00 0.00 19.45 16.67 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 -1.33 -0.28 3.37 0.00 0.00 -1.26 -4.91 105.19 100.79 2klg n GLY 47 Ca -0.12 0.15 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 2klg n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2klg s LYS 48 N -6.83 2.98 0.31 1.61 2.36 -1.01 -5.07 119.74 114.10 2klg s LYS 48 Ca 0.27 -1.42 -0.09 0.00 -2.55 0.00 0.00 55.97 52.18 2klg s LYS 48 Cb -0.15 -4.16 -0.07 0.00 -1.05 0.00 0.00 37.83 32.41 2klg s LYS 48 CO 0.92 -1.08 0.64 1.14 1.55 0.00 0.00 175.35 178.52 2klg s GLN 49 N 1.63 3.77 0.00 4.03 -2.07 -1.26 -4.47 119.66 121.29 2klg s GLN 49 Ca 0.04 0.31 0.30 0.00 -1.82 0.00 0.00 55.36 54.19 2klg s GLN 49 Cb -0.25 -2.54 1.58 0.00 -1.09 0.00 0.00 33.01 30.71 2klg s GLN 49 CO 0.06 0.16 2.07 -0.11 -1.32 0.00 0.00 175.29 176.15 2klg n LEU 50 N -0.76 0.00 -0.06 2.60 7.94 -1.26 -3.82 117.00 121.64 2klg n LEU 50 Ca 0.01 0.22 -0.14 0.00 -1.11 0.00 0.00 56.01 54.99 2klg n LEU 50 Cb 0.53 -0.22 -0.12 0.00 0.53 0.00 0.00 43.42 44.14 2klg n LEU 50 CO 0.46 -0.00 0.41 -0.33 -1.11 0.00 0.00 177.39 176.82 2klg h GLU 51 N 0.00 -0.00 -6.04 1.96 4.39 -1.93 -3.45 114.58 109.51 2klg h GLU 51 Ca 0.00 0.00 -0.71 0.00 0.34 0.00 0.00 59.36 58.99 2klg h GLU 51 Cb 0.21 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2klg h GLU 51 CO 0.00 0.90 1.24 -0.25 -1.16 0.00 0.00 179.01 179.74 2klg n ASP 52 N -4.65 1.96 -2.07 1.42 8.00 -1.25 -4.75 116.55 115.21 2klg n ASP 52 Ca -0.10 0.67 -0.04 0.00 0.71 0.00 0.00 54.79 56.04 2klg n ASP 52 Cb 0.44 -1.16 -0.06 0.00 -0.02 0.00 0.00 41.12 40.33 2klg n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2klg n GLY 53 N 5.98 1.86 2.64 0.44 0.00 -1.26 -4.69 105.19 110.16 2klg n GLY 53 Ca 0.39 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 2klg n GLY 53 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2klg n ARG 54 N 2.40 0.88 -3.84 1.61 0.63 -1.26 -4.70 116.66 112.37 2klg n ARG 54 Ca 0.14 -2.31 -0.36 0.00 -0.92 0.00 0.00 57.85 54.40 2klg n ARG 54 Cb 0.40 0.14 -0.06 0.00 0.45 0.00 0.00 32.46 33.39 2klg n ARG 54 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2klg s THR 55 N -1.77 5.43 0.26 5.15 2.01 -1.26 -2.04 115.64 123.42 2klg s THR 55 Ca 0.27 0.18 -0.02 0.00 0.31 0.00 0.00 61.69 62.43 2klg s THR 55 Cb -0.02 -3.47 0.23 0.00 0.01 0.00 0.00 72.50 69.25 2klg s THR 55 CO 0.17 0.53 1.78 -0.07 -0.69 0.00 0.00 174.62 176.33 2klg h LEU 56 N 4.61 0.57 -1.85 4.42 3.38 -1.86 0.36 115.31 124.93 2klg h LEU 56 Ca -0.53 0.08 0.15 0.00 0.09 0.00 0.00 57.88 57.67 2klg h LEU 56 Cb 1.22 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 2klg h LEU 56 CO 0.61 0.27 0.42 -1.28 0.09 0.00 0.00 178.44 178.55 2klg h SER 57 N 0.67 0.14 -0.77 -0.43 0.87 -1.80 -0.95 113.55 111.28 2klg h SER 57 Ca 0.44 0.01 0.17 0.00 -1.23 0.00 0.00 61.79 61.17 2klg h SER 57 Cb 0.56 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.45 2klg h SER 57 CO -0.33 0.07 0.52 0.44 -0.53 0.00 0.00 176.83 177.01 2klg h ASP 58 N 0.15 0.33 -1.04 6.23 3.32 -1.26 -0.85 116.42 123.30 2klg h ASP 58 Ca 0.29 0.02 -0.67 0.00 0.02 0.00 0.00 57.03 56.69 2klg h ASP 58 Cb 0.93 -0.04 -0.31 0.00 0.22 0.00 0.00 39.33 40.13 2klg h ASP 58 CO -0.04 0.16 0.69 -1.22 -1.72 0.00 0.00 179.24 177.11 2klg n TYR 59 N -4.46 3.17 -2.32 4.55 4.01 -0.39 -4.86 117.16 116.86 2klg n TYR 59 Ca 0.15 -2.90 -0.16 0.00 -0.16 0.00 0.00 57.90 54.83 2klg n TYR 59 Cb 0.59 -1.31 -0.01 0.00 -0.31 0.00 0.00 39.34 38.30 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 -0.87 -4.60 -4.46 7.72 2.85 -0.32 -4.89 115.26 110.69 2klg n ASN 60 Ca 0.60 0.15 -0.44 0.00 -0.11 0.00 0.00 54.58 54.78 2klg n ASN 60 Cb 0.67 -3.90 -0.02 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 -2.72 4.81 0.40 -1.44 1.01 -1.02 -4.99 121.20 117.25 2klg s ILE 61 Ca 0.00 -1.91 0.05 0.00 0.00 0.00 0.00 60.65 58.79 2klg s ILE 61 Cb 0.00 -4.83 0.00 0.00 0.01 0.00 0.00 42.46 37.64 2klg s ILE 61 CO 0.00 -1.55 0.56 -1.10 0.00 0.00 0.00 174.94 172.85 2klg s GLN 62 N 2.36 2.98 0.95 2.79 -0.21 -1.26 -3.74 119.66 123.52 2klg s GLN 62 Ca 0.36 -0.94 -0.14 0.00 0.02 0.00 0.00 55.36 54.67 2klg s GLN 62 Cb -0.04 -2.72 0.00 0.00 1.00 0.00 0.00 33.01 31.25 2klg s GLN 62 CO -0.06 -0.16 0.19 0.36 -2.12 0.00 0.00 175.29 173.49 2klg n LYS 63 N -1.85 -0.22 -2.83 2.91 2.85 -1.26 -2.55 118.16 115.21 2klg n LYS 63 Ca 0.03 -0.03 -0.20 0.00 -1.05 0.00 0.00 58.31 57.06 2klg n LYS 63 Cb 0.58 -1.70 0.01 0.00 -0.65 0.00 0.00 35.03 33.27 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 -0.91 -3.24 -2.24 -1.58 4.07 -0.22 -4.94 120.64 111.57 2klg n GLU 64 Ca 0.05 0.74 -0.33 0.00 -0.06 0.00 0.00 57.16 57.57 2klg n GLU 64 Cb 0.54 -5.47 -0.01 0.00 -0.06 0.00 0.00 31.44 26.44 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 -2.41 6.08 -0.95 4.31 0.01 -1.06 -4.98 113.70 114.71 2klg s SER 65 Ca 0.19 1.80 -0.02 0.00 1.31 0.00 0.00 55.95 59.23 2klg s SER 65 Cb -0.09 -2.54 0.28 0.00 0.21 0.00 0.00 66.02 63.89 2klg s SER 65 CO 0.23 -0.96 1.21 0.35 0.41 0.00 0.00 173.24 174.49 2klg n THR 66 N -1.67 4.33 -3.98 1.44 -2.24 -1.26 -4.07 114.28 106.84 2klg n THR 66 Ca 0.08 -5.65 -0.33 0.00 -2.27 0.00 0.00 64.05 55.88 2klg n THR 66 Cb 0.53 -2.14 -0.06 0.00 -2.10 0.00 0.00 70.33 66.56 2klg n THR 66 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2klg s LEU 67 N -2.51 4.18 0.09 3.22 0.05 -1.26 -5.06 118.68 117.39 2klg s LEU 67 Ca 0.33 0.26 0.04 0.00 0.05 0.00 0.00 54.13 54.81 2klg s LEU 67 Cb 0.06 -2.49 -0.04 0.00 -2.05 0.00 0.00 46.19 41.66 2klg s LEU 67 CO 0.05 0.26 0.05 -2.28 -0.55 0.00 0.00 176.35 173.87 2klg s HIS 68 N -1.29 3.09 0.23 3.48 2.46 -1.26 -4.60 115.29 117.41 2klg s HIS 68 Ca 0.26 0.02 0.06 0.00 0.47 0.00 0.00 55.06 55.87 2klg s HIS 68 Cb -0.12 -1.57 -0.03 0.00 -0.13 0.00 0.00 32.58 30.72 2klg s HIS 68 CO 0.17 0.50 0.24 -1.17 -2.47 0.00 0.00 174.74 172.02 2klg s LEU 69 N -2.43 3.97 0.13 8.88 2.96 -1.26 -1.44 118.68 129.50 2klg s LEU 69 Ca 0.28 -0.13 0.04 0.00 -0.22 0.00 0.00 54.13 54.09 2klg s LEU 69 Cb -0.12 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 2klg s LEU 69 CO 0.20 -0.03 0.16 -0.69 -1.32 0.00 0.00 176.35 174.68 2klg s VAL 70 N -2.04 4.76 0.49 1.68 1.01 -1.02 -4.83 120.40 120.46 2klg s VAL 70 Ca 0.33 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 61.31 2klg s VAL 70 Cb -0.09 -3.40 -0.07 0.00 0.00 0.00 0.00 36.38 32.83 2klg s VAL 70 CO 0.26 -0.04 0.91 -1.48 0.00 0.00 0.00 175.10 174.76 2klg s LEU 71 N -2.94 3.64 0.66 3.92 0.05 -1.26 -4.76 118.68 118.00 2klg s LEU 71 Ca 0.32 1.38 0.01 0.00 0.05 0.00 0.00 54.13 55.89 2klg s LEU 71 Cb -0.11 -4.32 0.10 0.00 -2.05 0.00 0.00 46.19 39.81 2klg s LEU 71 CO 0.25 -0.56 0.92 -0.60 -0.55 0.00 0.00 176.35 175.80 2klg s ARG 72 N -4.16 1.95 -0.11 1.48 3.52 -1.26 -4.99 118.95 115.38 2klg s ARG 72 Ca 0.55 -1.09 -0.09 0.00 -0.13 0.00 0.00 55.73 54.98 2klg s ARG 72 Cb -0.10 -2.40 -0.08 0.00 -1.56 0.00 0.00 34.95 30.81 2klg s ARG 72 CO 0.35 -1.21 0.22 1.25 -0.81 0.00 0.00 175.30 175.10 2klg h LEU 73 N -0.31 0.00 -6.91 -0.88 6.46 -1.98 -3.39 115.31 108.29 2klg h LEU 73 Ca -0.37 -0.29 -0.75 0.00 -0.12 0.00 0.00 57.88 56.35 2klg h LEU 73 Cb 1.28 0.00 -0.17 0.00 -0.73 0.00 0.00 40.66 41.04 2klg h LEU 73 CO 0.43 0.65 1.73 -1.14 -0.62 0.00 0.00 178.44 179.49 2klg n ARG 74 N -4.73 3.57 0.00 1.25 0.63 -1.26 -4.64 116.66 111.48 2klg n ARG 74 Ca -0.03 -3.69 0.00 0.00 -0.92 0.00 0.00 57.85 53.21 2klg n ARG 74 Cb 0.14 -2.94 0.00 0.00 0.45 0.00 0.00 32.46 30.11 2klg n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2klg n GLY 75 N 3.18 0.25 0.00 5.14 0.00 -1.26 -5.21 105.19 107.28 2klg n GLY 75 Ca 0.38 0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.56 2klg n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93