#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 0.67 -4.26 2.12 3.00 -1.26 -4.92 117.38 112.72 2klg n GLN 2 Ca 0.00 0.34 -0.16 0.00 -0.01 0.00 0.00 57.00 57.17 2klg n GLN 2 Cb 0.00 -1.67 -0.09 0.00 0.00 0.00 0.00 30.24 28.47 2klg n GLN 2 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 2klg s ILE 3 N -2.49 0.09 -0.31 5.09 -4.36 -1.26 0.73 121.20 118.70 2klg s ILE 3 Ca -0.28 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.14 2klg s ILE 3 Cb 0.08 -2.51 0.08 0.00 1.25 0.00 0.00 42.46 41.36 2klg s ILE 3 CO 0.67 0.00 -0.01 -0.36 0.24 0.00 0.00 174.94 175.47 2klg s PHE 4 N -3.79 3.49 -0.02 1.37 0.40 -1.19 -4.83 117.98 113.40 2klg s PHE 4 Ca 0.39 -2.55 0.01 0.00 -0.60 0.00 0.00 56.93 54.17 2klg s PHE 4 Cb 0.05 -2.44 0.02 0.00 0.51 0.00 0.00 43.02 41.16 2klg s PHE 4 CO 0.18 -0.91 -0.01 0.54 0.70 0.00 0.00 175.22 175.73 2klg s VAL 5 N 1.04 0.21 0.30 -0.44 0.11 -1.26 -3.93 120.40 116.43 2klg s VAL 5 Ca 0.01 0.02 0.07 0.00 -2.93 0.00 0.00 61.98 59.16 2klg s VAL 5 Cb -0.20 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.35 2klg s VAL 5 CO -0.06 0.13 0.23 -0.54 -3.33 0.00 0.00 175.10 171.54 2klg s LYS 6 N 0.77 2.74 0.00 1.54 3.01 -1.26 -4.08 119.74 122.45 2klg s LYS 6 Ca -0.08 -1.24 0.00 0.00 -1.01 0.00 0.00 55.97 53.64 2klg s LYS 6 Cb -0.11 -2.46 0.00 0.00 -1.01 0.00 0.00 37.83 34.25 2klg s LYS 6 CO -0.01 0.21 0.00 2.41 0.51 0.00 0.00 175.35 178.47 2klg n THR 7 N -1.26 0.00 0.27 2.17 -1.04 -1.26 -3.96 114.28 109.20 2klg n THR 7 Ca -0.04 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.12 2klg n THR 7 Cb 0.59 -0.37 0.72 0.00 -1.82 0.00 0.00 70.33 69.45 2klg n THR 7 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2klg h LEU 8 N 0.00 0.00 0.00 -4.42 6.46 -1.90 -3.38 115.31 112.07 2klg h LEU 8 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2klg h LEU 8 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2klg h LEU 8 CO 0.00 0.07 0.00 1.07 -0.62 0.00 0.00 178.44 178.96 2klg n THR 9 N -3.27 0.00 0.00 1.05 5.66 -1.26 -4.94 114.28 111.51 2klg n THR 9 Ca -0.01 0.20 0.00 0.00 -3.05 0.00 0.00 64.05 61.19 2klg n THR 9 Cb 0.28 -1.18 0.00 0.00 -1.55 0.00 0.00 70.33 67.88 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 2.71 0.00 3.85 1.09 0.00 -1.26 -5.10 105.19 106.47 2klg n GLY 10 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 4.01 -0.33 1.61 2.20 -1.26 -4.85 119.74 121.11 2klg s LYS 11 Ca 0.00 0.72 -0.15 0.00 -0.36 0.00 0.00 55.97 56.18 2klg s LYS 11 Cb 0.00 -2.37 -0.01 0.00 -1.51 0.00 0.00 37.83 33.93 2klg s LYS 11 CO 0.00 0.09 0.38 -0.08 -0.36 0.00 0.00 175.35 175.37 2klg s THR 12 N -2.09 5.16 -0.04 3.43 -1.32 -1.26 -4.16 115.64 115.35 2klg s THR 12 Ca 0.55 0.14 0.05 0.00 -1.21 0.00 0.00 61.69 61.22 2klg s THR 12 Cb -0.10 -3.82 -0.01 0.00 -1.51 0.00 0.00 72.50 67.07 2klg s THR 12 CO 0.19 -0.07 -0.19 -0.51 -2.21 0.00 0.00 174.62 171.84 2klg s ILE 13 N 2.06 1.53 -0.15 5.08 2.07 -1.26 -5.12 121.20 125.41 2klg s ILE 13 Ca 0.13 -0.78 -0.05 0.00 -1.41 0.00 0.00 60.65 58.54 2klg s ILE 13 Cb -0.16 -1.31 -0.03 0.00 0.13 0.00 0.00 42.46 41.09 2klg s ILE 13 CO 0.12 0.44 0.02 0.28 -1.91 0.00 0.00 174.94 173.88 2klg s THR 14 N -0.06 4.39 -0.02 4.00 -1.32 -1.26 -4.54 115.64 116.82 2klg s THR 14 Ca -0.02 -0.19 0.02 0.00 -1.21 0.00 0.00 61.69 60.29 2klg s THR 14 Cb -0.11 -2.93 0.01 0.00 -1.51 0.00 0.00 72.50 67.96 2klg s THR 14 CO 0.02 0.51 -0.05 -0.76 -2.21 0.00 0.00 174.62 172.12 2klg s LEU 15 N 0.07 1.65 0.26 9.08 1.43 -1.26 -4.99 118.68 124.92 2klg s LEU 15 Ca 0.03 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 2klg s LEU 15 Cb -0.13 -0.38 -0.04 0.00 0.03 0.00 0.00 46.19 45.67 2klg s LEU 15 CO 0.02 0.01 0.47 -0.70 0.23 0.00 0.00 176.35 176.38 2klg s GLU 16 N 0.40 3.55 -0.01 1.70 -6.30 -1.26 -4.42 118.70 112.36 2klg s GLU 16 Ca -0.05 -0.24 -0.00 0.00 -2.50 0.00 0.00 54.97 52.18 2klg s GLU 16 Cb -0.09 -2.74 0.01 0.00 0.00 0.00 0.00 34.13 31.31 2klg s GLU 16 CO -0.00 0.29 0.01 0.08 0.02 0.00 0.00 175.26 175.66 2klg s VAL 17 N -2.03 -0.02 0.32 3.70 1.01 -1.26 -5.06 120.40 117.05 2klg s VAL 17 Ca 0.40 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.48 2klg s VAL 17 Cb -0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 36.38 36.21 2klg s VAL 17 CO 0.31 0.03 0.49 -1.83 0.00 0.00 0.00 175.10 174.10 2klg s GLU 18 N 0.37 3.39 0.05 2.72 -1.05 -1.26 -5.00 118.70 117.91 2klg s GLU 18 Ca -0.03 -0.56 -0.11 0.00 -0.15 0.00 0.00 54.97 54.12 2klg s GLU 18 Cb -0.04 -2.74 -0.03 0.00 -0.44 0.00 0.00 34.13 30.87 2klg s GLU 18 CO -0.01 0.19 1.18 -1.00 0.95 0.00 0.00 175.26 176.57 2klg h PRO 19 N 0.87 -0.07 -1.35 -4.83 0.13 -2.06 -1.42 132.00 123.27 2klg h PRO 19 Ca -0.50 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.31 2klg h PRO 19 Cb 1.23 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 32.22 2klg h PRO 19 CO 0.60 -0.05 0.42 0.45 -0.23 0.00 0.00 178.00 179.19 2klg n SER 20 N -3.67 5.65 -4.66 1.44 2.88 -1.26 -4.83 113.62 109.17 2klg n SER 20 Ca -0.00 -3.03 -0.43 0.00 -1.33 0.00 0.00 58.87 54.08 2klg n SER 20 Cb 0.10 -0.94 -0.02 0.00 -0.75 0.00 0.00 64.21 62.60 2klg n SER 20 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2klg s ASP 21 N -0.02 6.94 0.27 -3.46 2.15 -0.54 -5.02 116.67 116.99 2klg s ASP 21 Ca 0.32 1.63 -0.18 0.00 0.43 0.00 0.00 52.55 54.75 2klg s ASP 21 Cb 0.26 -2.54 -0.09 0.00 -0.30 0.00 0.00 42.92 40.25 2klg s ASP 21 CO 0.01 -0.78 0.75 0.42 -0.17 0.00 0.00 175.17 175.40 2klg s THR 22 N 3.54 4.58 0.46 1.71 -4.23 -1.26 -4.03 115.64 116.41 2klg s THR 22 Ca 0.54 1.20 0.14 0.00 -1.18 0.00 0.00 61.69 62.39 2klg s THR 22 Cb -0.21 -3.77 0.31 0.00 1.34 0.00 0.00 72.50 70.17 2klg s THR 22 CO 0.14 0.05 2.04 -0.29 -0.54 0.00 0.00 174.62 176.03 2klg h ILE 23 N 2.44 0.96 0.02 2.99 6.09 -1.65 -1.89 117.51 126.46 2klg h ILE 23 Ca -0.48 -0.10 -0.26 0.00 -1.37 0.00 0.00 64.86 62.64 2klg h ILE 23 Cb 1.19 0.63 0.02 0.00 0.47 0.00 0.00 36.82 39.12 2klg h ILE 23 CO 0.65 0.06 -1.05 1.05 -3.07 0.00 0.00 178.15 175.78 2klg h GLU 24 N 0.30 0.63 -0.13 2.19 4.11 -1.82 -3.24 114.58 116.62 2klg h GLU 24 Ca 0.17 -0.70 -0.03 0.00 0.07 0.00 0.00 59.36 58.87 2klg h GLU 24 Cb 0.31 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2klg h GLU 24 CO -0.04 1.29 -0.08 -0.97 0.07 0.00 0.00 179.01 179.28 2klg h ASN 25 N 0.35 0.18 0.46 3.06 -0.73 -1.76 -1.83 115.58 115.30 2klg h ASN 25 Ca -0.13 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.02 2klg h ASN 25 Cb 1.70 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 40.25 2klg h ASN 25 CO 0.20 0.28 0.00 0.55 -0.37 0.00 0.00 177.43 178.10 2klg n VAL 26 N -4.34 0.37 -0.34 2.57 3.14 -0.87 -3.59 118.33 115.27 2klg n VAL 26 Ca -0.01 0.09 0.06 0.00 -2.96 0.00 0.00 64.34 61.53 2klg n VAL 26 Cb 0.21 -0.73 0.25 0.00 -1.06 0.00 0.00 33.84 32.51 2klg n VAL 26 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 2klg h LYS 27 N 0.00 0.97 -0.41 1.45 1.57 -1.43 0.54 116.57 119.26 2klg h LYS 27 Ca 0.00 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 2klg h LYS 27 Cb 0.23 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2klg h LYS 27 CO 0.00 0.64 -0.17 0.00 -0.57 0.00 0.00 179.45 179.35 2klg h ALA 28 N 1.53 0.57 -0.08 3.86 0.00 -1.79 -2.39 119.26 120.95 2klg h ALA 28 Ca 0.46 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 2klg h ALA 28 Cb 0.41 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2klg h ALA 28 CO -0.22 0.51 -0.62 -0.22 0.00 0.00 0.00 179.25 178.70 2klg h LYS 29 N 0.65 0.56 0.00 0.00 3.64 -1.57 -3.17 116.57 116.69 2klg h LYS 29 Ca 0.09 -0.50 -0.00 0.00 -1.27 0.00 0.00 60.65 58.97 2klg h LYS 29 Cb 0.72 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.66 2klg h LYS 29 CO 0.05 1.12 -0.02 0.97 -2.27 0.00 0.00 179.45 179.31 2klg h ILE 30 N 0.17 0.08 -0.10 2.00 2.10 0.02 -3.38 117.51 118.40 2klg h ILE 30 Ca -0.05 -0.29 -0.38 0.00 1.08 0.00 0.00 64.86 65.21 2klg h ILE 30 Cb 1.28 1.26 0.06 0.00 -1.09 0.00 0.00 36.82 38.32 2klg h ILE 30 CO 0.13 0.02 1.07 1.67 -1.08 0.00 0.00 178.15 179.95 2klg n GLN 31 N -3.17 0.55 0.02 2.19 7.27 -0.90 -4.72 117.38 118.62 2klg n GLN 31 Ca -0.01 -1.60 -0.01 0.00 0.07 0.00 0.00 57.00 55.45 2klg n GLN 31 Cb 0.19 -3.21 -0.00 0.00 2.41 0.00 0.00 30.24 29.62 2klg n GLN 31 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 2klg h ASP 32 N 10.09 -0.05 0.00 1.69 3.58 -1.88 -3.43 116.42 126.42 2klg h ASP 32 Ca 0.20 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.66 2klg h ASP 32 Cb 0.82 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.89 2klg h ASP 32 CO 1.58 -0.03 0.00 2.29 -2.88 0.00 0.00 179.24 180.20 2klg n LYS 33 N -2.17 0.00 -2.07 0.28 2.85 -1.26 -5.03 118.16 110.76 2klg n LYS 33 Ca -0.01 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.24 2klg n LYS 33 Cb 0.02 -0.15 -0.00 0.00 -0.65 0.00 0.00 35.03 34.25 2klg n LYS 33 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2klg n GLU 34 N -0.32 0.14 -1.00 -1.58 0.00 -1.26 -5.02 120.64 111.59 2klg n GLU 34 Ca 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 57.16 56.80 2klg n GLU 34 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 31.44 31.45 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 -0.32 0.75 0.12 -1.84 0.00 -1.26 -4.95 105.19 97.69 2klg n GLY 35 Ca -0.14 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 2klg n GLY 35 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2klg h ILE 36 N 5.99 0.88 -0.76 -0.61 1.08 -1.93 -3.39 117.51 118.76 2klg h ILE 36 Ca -0.27 -2.26 0.12 0.00 -0.39 0.00 0.00 64.86 62.07 2klg h ILE 36 Cb 1.50 2.40 -0.09 0.00 -3.07 0.00 0.00 36.82 37.56 2klg h ILE 36 CO -0.07 0.53 0.36 -0.65 -0.69 0.00 0.00 178.15 177.63 2klg h PRO 37 N -0.62 0.54 -5.98 2.37 0.11 -1.92 -3.39 132.00 123.11 2klg h PRO 37 Ca -0.35 -0.03 -0.54 0.00 0.11 0.00 0.00 66.00 65.19 2klg h PRO 37 Cb 1.56 -0.12 0.24 0.00 0.11 0.00 0.00 31.00 32.79 2klg h PRO 37 CO -0.09 0.36 -2.02 -2.30 -0.21 0.00 0.00 178.00 173.74 2klg n PRO 38 N -4.91 0.00 0.00 1.05 -0.02 -1.26 -4.78 135.00 125.08 2klg n PRO 38 Ca 0.14 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.69 2klg n PRO 38 Cb 0.36 -1.00 0.44 0.00 -0.02 0.00 0.00 33.50 33.28 2klg n PRO 38 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2klg n ASP 39 N 3.49 0.00 -0.66 2.55 5.68 -1.26 -2.83 116.55 123.51 2klg n ASP 39 Ca -0.02 -0.50 0.07 0.00 -0.50 0.00 0.00 54.79 53.85 2klg n ASP 39 Cb 0.59 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.79 2klg n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2klg n GLN 40 N -0.98 1.84 -3.03 0.11 6.02 -1.26 -4.82 117.38 115.27 2klg n GLN 40 Ca 0.11 -1.29 -0.43 0.00 -0.01 0.00 0.00 57.00 55.38 2klg n GLN 40 Cb 0.05 -1.32 -0.06 0.00 1.02 0.00 0.00 30.24 29.93 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 3.42 0.02 -1.09 -2.07 -1.13 -4.34 119.66 112.90 2klg s GLN 41 Ca 0.27 -0.14 -0.06 0.00 -1.82 0.00 0.00 55.36 53.61 2klg s GLN 41 Cb 0.14 -3.92 -0.01 0.00 -1.09 0.00 0.00 33.01 28.14 2klg s GLN 41 CO 0.20 -1.02 0.11 1.03 -1.32 0.00 0.00 175.29 174.29 2klg s ARG 42 N 3.06 0.52 0.12 9.60 0.52 -1.26 -4.22 118.95 127.29 2klg s ARG 42 Ca 0.27 -0.57 0.05 0.00 -0.52 0.00 0.00 55.73 54.96 2klg s ARG 42 Cb -0.13 0.21 -0.04 0.00 0.52 0.00 0.00 34.95 35.51 2klg s ARG 42 CO 0.20 -0.13 0.04 -0.51 0.02 0.00 0.00 175.30 174.93 2klg s LEU 43 N -1.73 3.56 -0.79 2.53 1.02 -1.25 -3.58 118.68 118.44 2klg s LEU 43 Ca -0.10 -0.18 0.02 0.00 0.02 0.00 0.00 54.13 53.88 2klg s LEU 43 Cb -0.05 -2.24 0.32 0.00 0.02 0.00 0.00 46.19 44.24 2klg s LEU 43 CO -0.01 0.13 1.30 -0.38 0.02 0.00 0.00 176.35 177.41 2klg n ILE 44 N 0.21 4.33 -3.60 -0.59 2.08 -1.18 -4.53 119.36 116.07 2klg n ILE 44 Ca -0.10 -5.73 -0.07 0.00 0.56 0.00 0.00 62.75 57.41 2klg n ILE 44 Cb 0.53 -1.58 -0.08 0.00 -0.75 0.00 0.00 39.64 37.76 2klg n ILE 44 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 2klg s PHE 45 N -3.65 -0.93 -1.56 1.39 5.36 -1.26 -4.69 117.98 112.64 2klg s PHE 45 Ca 0.43 1.58 -0.02 0.00 -0.96 0.00 0.00 56.93 57.96 2klg s PHE 45 Cb 0.22 0.36 0.01 0.00 -0.34 0.00 0.00 43.02 43.27 2klg s PHE 45 CO -0.10 -0.56 0.23 0.00 -1.46 0.00 0.00 175.22 173.33 2klg n ALA 46 N 5.40 -0.80 -4.19 11.12 0.00 -1.26 -2.33 120.51 128.46 2klg n ALA 46 Ca -0.08 0.19 -0.34 0.00 0.00 0.00 0.00 53.44 53.21 2klg n ALA 46 Cb 0.49 -2.68 -0.03 0.00 0.00 0.00 0.00 19.45 17.23 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 -1.16 -0.37 3.80 0.00 0.00 -1.26 -4.93 105.19 101.26 2klg n GLY 47 Ca -0.17 0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -6.89 3.56 0.61 1.61 2.47 -0.98 -5.11 119.74 115.01 2klg s LYS 48 Ca 0.53 -0.21 -0.03 0.00 -1.56 0.00 0.00 55.97 54.71 2klg s LYS 48 Cb -0.29 -3.17 0.04 0.00 -1.46 0.00 0.00 37.83 32.94 2klg s LYS 48 CO 0.93 0.64 0.88 1.14 0.16 0.00 0.00 175.35 179.10 2klg s GLN 49 N -0.63 2.49 0.06 4.03 -2.07 -1.26 -3.80 119.66 118.48 2klg s GLN 49 Ca 0.12 -0.43 -0.11 0.00 -1.82 0.00 0.00 55.36 53.12 2klg s GLN 49 Cb -0.12 -2.33 -0.30 0.00 -1.09 0.00 0.00 33.01 29.18 2klg s GLN 49 CO 0.02 -0.90 1.10 1.25 -1.32 0.00 0.00 175.29 175.44 2klg h LEU 50 N -0.22 0.70 -2.02 2.60 7.12 -1.93 -3.27 115.31 118.29 2klg h LEU 50 Ca -0.44 -0.71 0.00 0.00 0.13 0.00 0.00 57.88 56.87 2klg h LEU 50 Cb 1.30 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 41.20 2klg h LEU 50 CO 0.57 1.54 0.00 -1.84 -0.13 0.00 0.00 178.44 178.58 2klg n GLU 51 N -3.68 2.64 -0.34 1.25 0.00 -1.26 -4.45 120.64 114.80 2klg n GLU 51 Ca -0.13 -1.47 0.20 0.00 0.00 0.00 0.00 57.16 55.76 2klg n GLU 51 Cb 1.03 -1.73 0.42 0.00 0.00 0.00 0.00 31.44 31.16 2klg n GLU 51 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 2klg h ASP 52 N 1.98 0.61 0.00 -1.84 2.03 -1.97 -3.46 116.42 113.78 2klg h ASP 52 Ca 0.00 0.15 0.00 0.00 -0.73 0.00 0.00 57.03 56.45 2klg h ASP 52 Cb 1.04 0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 2klg h ASP 52 CO 0.18 0.03 0.00 0.61 -1.03 0.00 0.00 179.24 179.03 2klg n GLY 53 N -1.31 0.67 3.91 7.15 0.00 -1.26 -5.08 105.19 109.26 2klg n GLY 53 Ca 0.28 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.07 2.34 -0.17 1.61 0.52 -1.26 -4.86 118.95 116.06 2klg s ARG 54 Ca 0.00 -1.82 -0.10 0.00 -0.52 0.00 0.00 55.73 53.30 2klg s ARG 54 Cb 0.00 -2.26 -0.05 0.00 0.52 0.00 0.00 34.95 33.16 2klg s ARG 54 CO 0.00 -0.52 0.16 0.99 0.02 0.00 0.00 175.30 175.95 2klg s THR 55 N -2.66 5.41 0.51 0.02 2.01 -1.26 -1.67 115.64 118.00 2klg s THR 55 Ca 0.43 0.26 0.28 0.00 0.31 0.00 0.00 61.69 62.96 2klg s THR 55 Cb -0.03 -3.48 0.45 0.00 0.01 0.00 0.00 72.50 69.45 2klg s THR 55 CO 0.26 0.49 1.90 0.17 -0.69 0.00 0.00 174.62 176.75 2klg h LEU 56 N 6.13 0.09 -0.82 4.42 -0.00 -1.88 -0.04 115.31 123.21 2klg h LEU 56 Ca -0.45 0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 57.39 2klg h LEU 56 Cb 1.18 -0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 41.79 2klg h LEU 56 CO 0.70 0.03 0.35 -1.28 -0.00 0.00 0.00 178.44 178.25 2klg h SER 57 N 0.09 1.11 0.17 0.17 0.87 -1.87 -0.73 113.55 113.36 2klg h SER 57 Ca 0.41 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.78 2klg h SER 57 Cb 1.49 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2klg h SER 57 CO -0.04 0.97 -0.15 -2.24 -0.53 0.00 0.00 176.83 174.83 2klg h ASP 58 N 1.18 0.00 -0.60 6.23 3.04 -1.41 -1.82 116.42 123.05 2klg h ASP 58 Ca 0.28 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.07 2klg h ASP 58 Cb 0.19 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.48 2klg h ASP 58 CO -0.03 0.15 0.00 -1.22 -2.04 0.00 0.00 179.24 176.10 2klg n TYR 59 N -4.27 0.79 -1.05 4.15 4.02 -0.99 -4.93 117.16 114.88 2klg n TYR 59 Ca -0.02 -0.40 -0.02 0.00 -0.01 0.00 0.00 57.90 57.45 2klg n TYR 59 Cb 0.22 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.53 2klg n TYR 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2klg n ASN 60 N 1.40 -5.15 -3.60 7.72 4.13 -0.68 -4.89 115.26 114.18 2klg n ASN 60 Ca 0.21 0.05 -0.41 0.00 1.68 0.00 0.00 54.58 56.11 2klg n ASN 60 Cb 0.55 -2.81 -0.00 0.00 -1.54 0.00 0.00 39.78 35.98 2klg n ASN 60 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2klg n ILE 61 N -2.30 4.99 -2.38 2.41 -5.35 -0.33 -4.95 119.36 111.46 2klg n ILE 61 Ca -0.02 -4.36 0.00 0.00 -0.27 0.00 0.00 62.75 58.10 2klg n ILE 61 Cb 0.38 -2.16 0.00 0.00 -1.74 0.00 0.00 39.64 36.12 2klg n ILE 61 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 2klg n GLN 62 N 2.34 0.99 -1.20 6.28 7.27 -1.26 -4.66 117.38 127.13 2klg n GLN 62 Ca 0.55 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 57.24 2klg n GLN 62 Cb 0.28 0.00 0.02 0.00 2.41 0.00 0.00 30.24 32.95 2klg n GLN 62 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2klg n LYS 63 N -0.87 0.01 -1.91 3.69 0.00 -1.26 -1.74 118.16 116.08 2klg n LYS 63 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 58.31 58.13 2klg n LYS 63 Cb 0.00 -1.01 -0.05 0.00 0.00 0.00 0.00 35.03 33.97 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 1.67 -1.39 -2.56 1.64 4.07 0.22 -4.96 120.64 119.33 2klg n GLU 64 Ca 0.06 1.05 -0.37 0.00 -0.06 0.00 0.00 57.16 57.84 2klg n GLU 64 Cb 0.49 -5.46 -0.04 0.00 -0.06 0.00 0.00 31.44 26.37 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 -2.51 6.83 -0.95 4.31 1.04 -0.71 -4.88 113.70 116.82 2klg s SER 65 Ca 0.00 2.04 -0.01 0.00 0.48 0.00 0.00 55.95 58.46 2klg s SER 65 Cb 0.00 -2.59 0.31 0.00 0.10 0.00 0.00 66.02 63.84 2klg s SER 65 CO 0.00 -0.44 1.42 0.41 0.98 0.00 0.00 173.24 175.61 2klg n THR 66 N 0.05 4.90 -4.13 2.02 -1.04 -1.26 -3.17 114.28 111.65 2klg n THR 66 Ca 0.04 -5.82 -0.33 0.00 -2.04 0.00 0.00 64.05 55.90 2klg n THR 66 Cb 0.49 -1.88 -0.07 0.00 -1.82 0.00 0.00 70.33 67.05 2klg n THR 66 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2klg s LEU 67 N -3.23 3.86 -0.07 -4.42 1.43 -1.25 -5.11 118.68 109.89 2klg s LEU 67 Ca 0.36 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.60 2klg s LEU 67 Cb 0.12 -2.19 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 2klg s LEU 67 CO 0.01 0.29 0.01 -1.00 0.23 0.00 0.00 176.35 175.88 2klg s HIS 68 N -1.14 3.15 0.31 0.29 3.76 -1.26 -4.43 115.29 115.96 2klg s HIS 68 Ca 0.21 0.17 0.07 0.00 -0.15 0.00 0.00 55.06 55.36 2klg s HIS 68 Cb -0.12 -1.76 -0.02 0.00 1.11 0.00 0.00 32.58 31.78 2klg s HIS 68 CO 0.12 0.47 0.32 -0.51 -0.85 0.00 0.00 174.74 174.29 2klg s LEU 69 N -1.04 3.83 0.57 0.89 2.01 -1.25 -3.08 118.68 120.60 2klg s LEU 69 Ca 0.15 -0.30 0.07 0.00 0.01 0.00 0.00 54.13 54.07 2klg s LEU 69 Cb -0.11 -2.46 0.07 0.00 0.01 0.00 0.00 46.19 43.70 2klg s LEU 69 CO 0.04 -0.27 0.60 0.68 1.01 0.00 0.00 176.35 178.41 2klg s VAL 70 N -2.19 1.79 -0.54 -1.59 -7.23 -1.23 -4.85 120.40 104.55 2klg s VAL 70 Ca 0.39 -1.26 -0.28 0.00 -1.81 0.00 0.00 61.98 59.02 2klg s VAL 70 Cb -0.08 -2.06 0.02 0.00 0.56 0.00 0.00 36.38 34.82 2klg s VAL 70 CO 0.28 0.00 1.37 -0.76 -0.31 0.00 0.00 175.10 175.68 2klg s LEU 71 N -4.49 3.45 -0.10 1.32 1.02 -1.26 -4.39 118.68 114.22 2klg s LEU 71 Ca 0.47 0.35 -0.03 0.00 0.02 0.00 0.00 54.13 54.94 2klg s LEU 71 Cb -0.04 -3.17 -0.26 0.00 0.02 0.00 0.00 46.19 42.75 2klg s LEU 71 CO 0.29 -1.62 0.42 0.54 0.02 0.00 0.00 176.35 176.01 2klg n ARG 72 N 8.50 0.74 0.12 1.70 1.74 -1.26 -4.55 116.66 123.65 2klg n ARG 72 Ca 0.12 0.27 -0.05 0.00 -0.77 0.00 0.00 57.85 57.42 2klg n ARG 72 Cb 0.49 -1.73 -0.02 0.00 -1.02 0.00 0.00 32.46 30.18 2klg n ARG 72 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2klg h LEU 73 N 0.06 -0.28-10.59 0.55 5.85 -1.89 -3.45 115.31 105.56 2klg h LEU 73 Ca -0.40 0.01 -0.45 0.00 0.84 0.00 0.00 57.88 57.88 2klg h LEU 73 Cb 2.03 0.07 0.07 0.00 0.37 0.00 0.00 40.66 43.21 2klg h LEU 73 CO 0.09 -0.08 0.10 -0.13 -0.34 0.00 0.00 178.44 178.07 2klg s ARG 74 N -2.87 2.12 -0.17 1.25 1.81 -1.26 -5.06 118.95 114.77 2klg s ARG 74 Ca -0.05 -0.71 -0.15 0.00 -1.72 0.00 0.00 55.73 53.11 2klg s ARG 74 Cb 0.00 -2.33 -0.10 0.00 -0.45 0.00 0.00 34.95 32.07 2klg s ARG 74 CO 0.14 -1.14 -0.01 0.41 -0.68 0.00 0.00 175.30 174.03 2klg n GLY 75 N -2.70 -0.89 0.00 -3.53 0.00 -1.26 -4.77 105.19 92.03 2klg n GLY 75 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2klg n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93