#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dck s GLN 2 N 0.00 3.50 -0.15 0.54 0.74 -1.26 -5.10 119.66 117.93 3dck s GLN 2 Ca 0.00 -0.50 0.00 0.00 0.05 0.00 0.00 55.36 54.92 3dck s GLN 2 Cb 0.00 -2.88 0.02 0.00 1.10 0.00 0.00 33.01 31.25 3dck s GLN 2 CO 0.00 0.35 -0.14 0.42 -0.55 0.00 0.00 175.29 175.37 3dck s ILE 3 N 0.06 1.58 0.89 -2.34 1.01 -1.26 -5.13 121.20 116.02 3dck s ILE 3 Ca 0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 60.65 59.88 3dck s ILE 3 Cb -0.13 -1.48 0.15 0.00 0.01 0.00 0.00 42.46 41.01 3dck s ILE 3 CO 0.03 0.46 1.24 0.42 0.00 0.00 0.00 174.94 177.09 3dck s THR 4 N 1.47 2.03 -0.12 2.92 -4.23 -1.26 -5.04 115.64 111.41 3dck s THR 4 Ca 0.05 -0.06 0.17 0.00 -1.18 0.00 0.00 61.69 60.66 3dck s THR 4 Cb -0.13 -2.97 0.26 0.00 1.34 0.00 0.00 72.50 71.00 3dck s THR 4 CO -0.11 0.00 1.13 0.18 -0.54 0.00 0.00 174.62 175.29 3dck n LEU 5 N -3.52 2.11 0.04 4.79 4.77 -1.26 -4.61 117.00 119.32 3dck n LEU 5 Ca 0.13 -2.87 0.02 0.00 -0.03 0.00 0.00 56.01 53.27 3dck n LEU 5 Cb 0.60 -0.38 0.38 0.00 -2.33 0.00 0.00 43.42 41.69 3dck n LEU 5 CO 0.49 0.66 1.01 -0.50 -1.33 0.00 0.00 177.39 177.72 3dck h TRP 6 N 0.00 0.43 -2.25 -1.77 4.06 -2.07 -3.43 115.95 110.92 3dck h TRP 6 Ca 0.00 -0.02 -0.58 0.00 2.06 0.00 0.00 58.89 60.35 3dck h TRP 6 Cb 1.03 -0.13 -0.14 0.00 -1.00 0.00 0.00 29.16 28.92 3dck h TRP 6 CO 0.01 0.39 -0.71 0.15 -3.56 0.00 0.00 178.44 174.72 3dck s LYS 7 N -5.10 1.67 0.25 0.49 1.02 -1.26 -5.10 119.74 111.71 3dck s LYS 7 Ca -0.07 -1.82 -0.31 0.00 0.02 0.00 0.00 55.97 53.79 3dck s LYS 7 Cb 0.16 -1.57 -0.13 0.00 -0.52 0.00 0.00 37.83 35.78 3dck s LYS 7 CO 0.74 0.19 1.45 0.54 -0.92 0.00 0.00 175.35 177.34 3dck n ARG 8 N -0.66 2.17 -1.36 1.68 1.74 -1.26 -4.85 116.66 114.12 3dck n ARG 8 Ca -0.05 0.77 -0.39 0.00 -0.77 0.00 0.00 57.85 57.41 3dck n ARG 8 Cb 0.62 -2.45 -0.02 0.00 -1.02 0.00 0.00 32.46 29.58 3dck n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3dck n PRO 9 N 2.06 2.53 -3.19 5.56 -0.04 -1.26 -4.94 135.00 135.72 3dck n PRO 9 Ca 0.11 -2.16 -0.39 0.00 -0.04 0.00 0.00 63.50 61.02 3dck n PRO 9 Cb 0.32 -2.98 -0.06 0.00 -0.04 0.00 0.00 33.50 30.74 3dck n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dck s LEU 10 N 1.26 4.43 0.12 1.53 1.43 -1.26 -1.02 118.68 125.18 3dck s LEU 10 Ca 0.53 1.20 0.01 0.00 -1.03 0.00 0.00 54.13 54.85 3dck s LEU 10 Cb 0.14 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 3dck s LEU 10 CO -0.02 0.11 -0.03 0.68 0.23 0.00 0.00 176.35 177.32 3dck s VAL 11 N -0.26 0.62 0.00 -1.59 -7.23 0.01 -4.95 120.40 107.00 3dck s VAL 11 Ca 0.32 -1.94 -0.21 0.00 -1.81 0.00 0.00 61.98 58.34 3dck s VAL 11 Cb -0.19 -1.85 -0.05 0.00 0.56 0.00 0.00 36.38 34.85 3dck s VAL 11 CO 0.18 -0.72 0.60 -0.89 -0.31 0.00 0.00 175.10 173.97 3dck s THR 12 N -3.68 4.89 0.20 5.32 2.01 -1.26 -0.83 115.64 122.29 3dck s THR 12 Ca 0.17 1.26 0.10 0.00 0.31 0.00 0.00 61.69 63.53 3dck s THR 12 Cb 0.06 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 3dck s THR 12 CO -0.02 0.42 -0.19 0.27 -0.69 0.00 0.00 174.62 174.41 3dck s ILE 13 N -0.21 2.06 -0.11 1.82 -4.36 0.69 -4.71 121.20 116.38 3dck s ILE 13 Ca 0.31 -2.09 0.01 0.00 -0.26 0.00 0.00 60.65 58.62 3dck s ILE 13 Cb -0.18 -2.03 -0.02 0.00 1.25 0.00 0.00 42.46 41.48 3dck s ILE 13 CO 0.17 -0.33 -0.13 -0.60 0.24 0.00 0.00 174.94 174.30 3dck s ARG 14 N -3.04 3.20 -0.23 0.37 3.52 -0.32 -0.80 118.95 121.65 3dck s ARG 14 Ca 0.21 -0.68 -0.08 0.00 -0.13 0.00 0.00 55.73 55.05 3dck s ARG 14 Cb -0.05 -2.59 0.10 0.00 -1.56 0.00 0.00 34.95 30.85 3dck s ARG 14 CO 0.09 0.31 0.49 -1.50 -0.81 0.00 0.00 175.30 173.88 3dck s ILE 15 N 0.10 -0.71 -1.43 4.11 2.07 0.27 -1.47 121.20 124.16 3dck s ILE 15 Ca -0.06 0.11 -0.04 0.00 -1.41 0.00 0.00 60.65 59.26 3dck s ILE 15 Cb -0.15 -0.77 0.00 0.00 0.13 0.00 0.00 42.46 41.67 3dck s ILE 15 CO 0.05 0.05 0.47 0.61 -1.91 0.00 0.00 174.94 174.20 3dck n GLY 16 N 5.32 -0.39 2.41 1.50 0.00 -1.26 -2.67 105.19 110.10 3dck n GLY 16 Ca -0.11 0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 3dck n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dck n GLY 17 N -1.39 1.04 3.19 -0.02 0.00 -1.26 -5.02 105.19 101.72 3dck n GLY 17 Ca -0.12 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 3dck n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dck s GLN 18 N -3.77 0.88 -0.12 1.61 -2.07 -1.09 -5.14 119.66 109.97 3dck s GLN 18 Ca 0.00 -1.27 -0.13 0.00 -1.82 0.00 0.00 55.36 52.13 3dck s GLN 18 Cb 0.00 -0.44 -0.05 0.00 -1.09 0.00 0.00 33.01 31.43 3dck s GLN 18 CO 0.00 0.05 0.30 -0.51 -1.32 0.00 0.00 175.29 173.81 3dck s LEU 19 N -2.79 4.32 0.14 2.60 1.43 -1.26 -0.56 118.68 122.56 3dck s LEU 19 Ca 0.10 0.62 0.04 0.00 -1.03 0.00 0.00 54.13 53.86 3dck s LEU 19 Cb 0.01 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 3dck s LEU 19 CO -0.01 0.19 -0.10 -0.54 0.23 0.00 0.00 176.35 176.12 3dck s LYS 20 N -0.11 1.03 -0.08 1.70 1.02 0.02 -4.97 119.74 118.34 3dck s LYS 20 Ca 0.18 -1.42 -0.07 0.00 0.02 0.00 0.00 55.97 54.68 3dck s LYS 20 Cb -0.14 -0.58 -0.04 0.00 -0.52 0.00 0.00 37.83 36.55 3dck s LYS 20 CO 0.06 0.07 0.18 -2.00 -0.92 0.00 0.00 175.35 172.74 3dck s GLU 21 N -3.69 3.48 0.08 1.68 2.12 -1.26 -0.22 118.70 120.89 3dck s GLU 21 Ca 0.15 -0.12 -0.14 0.00 0.36 0.00 0.00 54.97 55.22 3dck s GLU 21 Cb 0.02 -3.17 0.02 0.00 0.26 0.00 0.00 34.13 31.27 3dck s GLU 21 CO -0.00 0.74 0.32 0.00 -0.54 0.00 0.00 175.26 175.79 3dck s ALA 22 N -1.11 -0.70 -0.20 6.30 0.00 -0.01 -4.59 121.76 121.46 3dck s ALA 22 Ca 0.19 -0.13 -0.14 0.00 0.00 0.00 0.00 51.96 51.88 3dck s ALA 22 Cb -0.13 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 3dck s ALA 22 CO 0.08 -0.52 0.32 -1.17 0.00 0.00 0.00 175.76 174.47 3dck s LEU 23 N -2.50 4.17 -0.30 0.00 2.96 0.10 -0.81 118.68 122.30 3dck s LEU 23 Ca 0.00 0.43 -0.29 0.00 -0.22 0.00 0.00 54.13 54.06 3dck s LEU 23 Cb 0.01 -2.39 -0.00 0.00 0.50 0.00 0.00 46.19 44.31 3dck s LEU 23 CO -0.08 0.01 1.42 -0.76 -1.32 0.00 0.00 176.35 175.61 3dck s LEU 24 N 1.00 3.81 -0.33 -0.68 1.43 -0.19 -0.32 118.68 123.40 3dck s LEU 24 Ca 0.16 1.24 0.01 0.00 -1.03 0.00 0.00 54.13 54.51 3dck s LEU 24 Cb -0.14 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.65 3dck s LEU 24 CO 0.06 -1.21 0.09 0.21 0.23 0.00 0.00 176.35 175.73 3dck s ASN 25 N 3.49 4.22 0.08 2.29 3.84 0.29 -4.81 114.94 124.34 3dck s ASN 25 Ca 0.62 -1.86 0.20 0.00 0.21 0.00 0.00 52.86 52.03 3dck s ASN 25 Cb -0.18 -1.10 0.84 0.00 -0.55 0.00 0.00 41.25 40.26 3dck s ASN 25 CO 0.27 -0.40 1.64 0.35 -2.79 0.00 0.00 177.10 176.17 3dck n THR 26 N 4.58 0.72 1.43 -5.21 -2.24 -1.26 -2.51 114.28 109.80 3dck n THR 26 Ca 0.00 0.15 0.12 0.00 -2.27 0.00 0.00 64.05 62.06 3dck n THR 26 Cb 0.41 -0.90 0.49 0.00 -2.10 0.00 0.00 70.33 68.23 3dck n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dck n GLY 27 N 0.42 0.02 3.33 3.38 0.00 -1.26 -4.82 105.19 106.25 3dck n GLY 27 Ca 0.04 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 3dck n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dck s ALA 28 N -1.91 2.58 0.20 4.61 0.00 -1.04 -5.00 121.76 121.20 3dck s ALA 28 Ca 0.36 -0.96 -0.07 0.00 0.00 0.00 0.00 51.96 51.29 3dck s ALA 28 Cb 0.19 -1.24 0.14 0.00 0.00 0.00 0.00 23.12 22.21 3dck s ALA 28 CO 0.30 0.11 1.67 -0.44 0.00 0.00 0.00 175.76 177.40 3dck h ASP 29 N 7.00 0.97 -1.99 0.00 3.32 -1.87 0.16 116.42 124.01 3dck h ASP 29 Ca -0.29 -0.28 -0.60 0.00 0.02 0.00 0.00 57.03 55.88 3dck h ASP 29 Cb 1.20 -0.26 -0.13 0.00 0.22 0.00 0.00 39.33 40.36 3dck h ASP 29 CO 0.56 1.04 -0.64 -1.81 -1.72 0.00 0.00 179.24 176.68 3dck s ASP 30 N -6.61 3.62 -0.21 6.45 1.01 -1.26 -2.07 116.67 117.60 3dck s ASP 30 Ca -0.11 -1.30 -0.08 0.00 0.71 0.00 0.00 52.55 51.77 3dck s ASP 30 Cb 0.14 -0.34 -0.04 0.00 1.01 0.00 0.00 42.92 43.69 3dck s ASP 30 CO 0.85 -0.37 0.09 -0.89 0.21 0.00 0.00 175.17 175.06 3dck s THR 31 N -2.75 4.82 -0.10 -1.27 2.01 -1.26 -2.93 115.64 114.16 3dck s THR 31 Ca 0.34 -0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.33 3dck s THR 31 Cb 0.07 -3.21 0.02 0.00 0.01 0.00 0.00 72.50 69.39 3dck s THR 31 CO 0.17 0.41 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.71 3dck s VAL 32 N 0.81 1.10 0.01 3.82 1.01 -0.66 -0.22 120.40 126.27 3dck s VAL 32 Ca 0.05 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 61.71 3dck s VAL 32 Cb -0.13 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 3dck s VAL 32 CO 0.02 0.37 -0.23 -0.63 0.00 0.00 0.00 175.10 174.63 3dck s ILE 33 N 1.27 1.86 1.03 2.22 -1.09 0.09 -0.76 121.20 125.82 3dck s ILE 33 Ca -0.03 -1.10 -0.15 0.00 -2.23 0.00 0.00 60.65 57.13 3dck s ILE 33 Cb -0.14 -1.56 0.07 0.00 -1.58 0.00 0.00 42.46 39.25 3dck s ILE 33 CO -0.04 0.43 0.24 -1.84 -1.23 0.00 0.00 174.94 172.51 3dck n GLU 34 N 2.25 -0.94 -1.55 2.79 0.28 -1.25 -1.67 120.64 120.55 3dck n GLU 34 Ca -0.16 -0.24 -0.47 0.00 -0.16 0.00 0.00 57.16 56.12 3dck n GLU 34 Cb 0.52 -1.80 -0.03 0.00 1.43 0.00 0.00 31.44 31.57 3dck n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3dck n GLU 35 N -1.96 1.02 -4.26 3.44 4.71 -1.23 -4.49 120.64 117.88 3dck n GLU 35 Ca 0.04 0.36 -0.33 0.00 -0.01 0.00 0.00 57.16 57.22 3dck n GLU 35 Cb 0.58 -1.72 -0.15 0.00 -1.01 0.00 0.00 31.44 29.13 3dck n GLU 35 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 3dck s ASN 37 N -0.40 3.51 0.03 1.62 0.01 -1.26 -5.04 114.94 113.40 3dck s ASN 37 Ca 0.66 -0.54 0.04 0.00 -0.71 0.00 0.00 52.86 52.31 3dck s ASN 37 Cb -0.81 -1.55 -0.02 0.00 0.41 0.00 0.00 41.25 39.28 3dck s ASN 37 CO 0.56 0.03 -0.13 -0.76 -1.51 0.00 0.00 177.10 175.29 3dck s LEU 38 N 1.14 2.14 0.69 0.60 1.43 -1.26 -4.88 118.68 118.53 3dck s LEU 38 Ca 0.01 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 3dck s LEU 38 Cb -0.14 -0.57 0.00 0.00 0.03 0.00 0.00 46.19 45.51 3dck s LEU 38 CO -0.06 0.05 1.08 -2.84 0.23 0.00 0.00 176.35 174.80 3dck s PRO 39 N -0.92 3.04 0.72 1.29 0.02 -1.26 -5.07 135.00 132.81 3dck s PRO 39 Ca 0.02 0.56 0.00 0.00 0.02 0.00 0.00 61.00 61.60 3dck s PRO 39 Cb -0.07 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.42 3dck s PRO 39 CO 0.01 -0.93 0.00 0.41 -0.33 0.00 0.00 177.00 176.16 3dck n GLY 40 N -2.87 1.03 3.54 0.52 0.00 -1.26 -5.02 105.19 101.13 3dck n GLY 40 Ca 0.07 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 3dck n GLY 40 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3dck s TRP 42 N 0.00 -0.39 -0.05 1.61 1.48 -1.26 -5.12 118.94 115.20 3dck s TRP 42 Ca 0.00 0.16 0.04 0.00 -1.06 0.00 0.00 56.10 55.25 3dck s TRP 42 Cb 0.00 0.58 -0.02 0.00 -1.16 0.00 0.00 33.47 32.87 3dck s TRP 42 CO 0.00 -0.81 -0.17 0.15 -4.06 0.00 0.00 176.95 172.06 3dck s LYS 43 N -3.54 2.48 0.25 3.25 1.02 -0.41 -4.89 119.74 117.90 3dck s LYS 43 Ca 0.05 -0.75 -0.30 0.00 0.02 0.00 0.00 55.97 54.99 3dck s LYS 43 Cb -0.02 -2.31 -0.10 0.00 -0.52 0.00 0.00 37.83 34.88 3dck s LYS 43 CO -0.08 0.58 1.34 -2.14 -0.92 0.00 0.00 175.35 174.13 3dck s PRO 44 N -0.62 4.35 0.00 -1.68 0.02 -1.26 0.09 135.00 135.90 3dck s PRO 44 Ca 0.09 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.27 3dck s PRO 44 Cb -0.11 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.27 3dck s PRO 44 CO 0.01 -0.27 0.00 1.17 -0.33 0.00 0.00 177.00 177.57 3dck n LYS 45 N 2.07 0.00 0.00 5.54 4.81 -0.63 -4.90 118.16 125.06 3dck n LYS 45 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 3dck n LYS 45 Cb 0.42 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.47 3dck n LYS 45 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 3dck n ILE 47 N 0.00 0.00 -4.32 3.15 -5.35 -0.54 -0.32 119.36 111.98 3dck n ILE 47 Ca 0.00 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.21 3dck n ILE 47 Cb 0.00 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 3dck n ILE 47 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3dck s GLY 48 N 0.00 1.72 0.00 3.28 0.00 -1.26 -0.44 107.32 110.62 3dck s GLY 48 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.23 3dck s GLY 48 CO 0.00 -1.51 0.00 0.61 0.00 0.00 0.00 173.10 172.20 3dck n GLY 49 N 0.19 4.01 0.32 0.20 0.00 0.44 -4.98 105.19 105.37 3dck n GLY 49 Ca -0.12 -1.45 0.13 0.00 0.00 0.00 0.00 46.02 44.58 3dck n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3dck h ILE 50 N 0.66 0.90 0.00 -0.61 6.09 -2.02 -3.10 117.51 119.43 3dck h ILE 50 Ca 0.00 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.46 3dck h ILE 50 Cb 0.00 0.80 0.00 0.00 0.47 0.00 0.00 36.82 38.09 3dck h ILE 50 CO 0.00 0.02 -1.06 0.61 -3.07 0.00 0.00 178.15 174.65 3dck n GLY 51 N -1.57 -0.85 0.00 8.18 0.00 -1.26 -5.08 105.19 104.61 3dck n GLY 51 Ca 0.04 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3dck n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dck n GLY 52 N 1.45 0.65 3.55 -0.02 0.00 -1.17 -5.12 105.19 104.52 3dck n GLY 52 Ca 0.03 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 3dck n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dck s PHE 53 N -3.48 2.80 0.26 1.61 0.40 -1.26 -0.42 117.98 117.88 3dck s PHE 53 Ca 0.00 -0.09 0.10 0.00 -0.60 0.00 0.00 56.93 56.34 3dck s PHE 53 Cb 0.00 -1.59 -0.05 0.00 0.51 0.00 0.00 43.02 41.89 3dck s PHE 53 CO 0.00 0.31 -0.17 0.96 0.70 0.00 0.00 175.22 177.03 3dck s ILE 54 N -0.92 2.19 -0.04 0.64 -4.36 0.42 -4.96 121.20 114.17 3dck s ILE 54 Ca 0.15 -2.32 -0.18 0.00 -0.26 0.00 0.00 60.65 58.04 3dck s ILE 54 Cb -0.11 -2.26 -0.05 0.00 1.25 0.00 0.00 42.46 41.29 3dck s ILE 54 CO 0.05 -0.44 0.49 -0.54 0.24 0.00 0.00 174.94 174.74 3dck s LYS 55 N -3.57 4.20 0.19 0.37 1.02 -1.26 -1.46 119.74 119.22 3dck s LYS 55 Ca 0.28 0.53 0.03 0.00 0.02 0.00 0.00 55.97 56.83 3dck s LYS 55 Cb -0.03 -3.33 -0.05 0.00 -0.52 0.00 0.00 37.83 33.90 3dck s LYS 55 CO 0.12 0.41 -0.03 0.14 -0.92 0.00 0.00 175.35 175.08 3dck s VAL 56 N -0.24 0.94 -0.24 3.17 -7.23 0.56 -4.57 120.40 112.79 3dck s VAL 56 Ca 0.27 -2.02 -0.14 0.00 -1.81 0.00 0.00 61.98 58.28 3dck s VAL 56 Cb -0.17 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 3dck s VAL 56 CO 0.13 -0.49 0.30 -0.13 -0.31 0.00 0.00 175.10 174.61 3dck s ARG 57 N -3.85 4.07 -0.28 4.82 0.52 0.45 -1.60 118.95 123.06 3dck s ARG 57 Ca 0.24 -0.03 -0.15 0.00 -0.52 0.00 0.00 55.73 55.27 3dck s ARG 57 Cb 0.05 -3.59 -0.03 0.00 0.52 0.00 0.00 34.95 31.90 3dck s ARG 57 CO 0.05 -0.11 0.37 -1.14 0.02 0.00 0.00 175.30 174.49 3dck s GLN 58 N 1.55 3.93 -0.20 3.54 0.74 0.11 -0.82 119.66 128.51 3dck s GLN 58 Ca 0.13 -0.06 -0.07 0.00 0.05 0.00 0.00 55.36 55.42 3dck s GLN 58 Cb -0.15 -3.69 -0.03 0.00 1.10 0.00 0.00 33.01 30.24 3dck s GLN 58 CO 0.08 -0.33 0.05 0.71 -0.55 0.00 0.00 175.29 175.25 3dck s TYR 59 N 2.06 3.15 0.20 1.67 1.51 -0.16 -1.28 117.35 124.49 3dck s TYR 59 Ca 0.14 -0.17 0.01 0.00 -1.01 0.00 0.00 57.07 56.05 3dck s TYR 59 Cb -0.16 -2.11 -0.04 0.00 -0.11 0.00 0.00 41.96 39.54 3dck s TYR 59 CO 0.10 -0.06 0.35 -0.51 -1.11 0.00 0.00 175.55 174.33 3dck s ASP 60 N 0.79 6.35 -1.39 2.29 1.01 -1.26 -0.73 116.67 123.74 3dck s ASP 60 Ca 0.03 0.27 -0.02 0.00 0.71 0.00 0.00 52.55 53.54 3dck s ASP 60 Cb -0.14 -1.95 0.01 0.00 1.01 0.00 0.00 42.92 41.85 3dck s ASP 60 CO 0.02 -0.03 0.57 0.00 0.21 0.00 0.00 175.17 175.94 3dck n GLN 61 N -0.79 -4.02 -3.36 8.23 1.13 -1.17 -4.89 117.38 112.52 3dck n GLN 61 Ca -0.06 0.49 -0.39 0.00 -1.94 0.00 0.00 57.00 55.11 3dck n GLN 61 Cb 0.54 -4.85 -0.08 0.00 0.11 0.00 0.00 30.24 25.97 3dck n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3dck s ILE 62 N -3.79 5.17 0.24 5.09 -1.09 0.27 -4.68 121.20 122.42 3dck s ILE 62 Ca 0.07 0.74 -0.30 0.00 -2.23 0.00 0.00 60.65 58.94 3dck s ILE 62 Cb -0.04 -3.75 -0.09 0.00 -1.58 0.00 0.00 42.46 37.00 3dck s ILE 62 CO 0.86 0.22 1.29 -2.84 -1.23 0.00 0.00 174.94 173.24 3dck s PRO 63 N 1.50 4.40 -0.06 2.79 0.02 -1.26 -1.05 135.00 141.34 3dck s PRO 63 Ca 0.20 2.08 -0.03 0.00 0.02 0.00 0.00 61.00 63.26 3dck s PRO 63 Cb -0.15 -3.16 0.04 0.00 0.02 0.00 0.00 34.50 31.25 3dck s PRO 63 CO 0.08 -0.19 0.15 0.08 -0.33 0.00 0.00 177.00 176.79 3dck s VAL 64 N -0.34 -0.05 -0.23 3.83 1.01 0.07 -4.36 120.40 120.34 3dck s VAL 64 Ca 0.54 0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.61 3dck s VAL 64 Cb -0.37 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 3dck s VAL 64 CO 0.42 0.07 0.05 -0.70 0.00 0.00 0.00 175.10 174.95 3dck s GLU 65 N 1.09 3.71 -0.23 2.72 2.12 -0.54 -0.80 118.70 126.77 3dck s GLU 65 Ca -0.08 -0.46 0.10 0.00 0.36 0.00 0.00 54.97 54.89 3dck s GLU 65 Cb -0.11 -3.25 0.43 0.00 0.26 0.00 0.00 34.13 31.46 3dck s GLU 65 CO -0.06 -0.05 1.24 -0.89 -0.54 0.00 0.00 175.26 174.96 3dck n ILE 66 N 4.50 2.29 0.00 -3.70 5.41 -1.26 -1.18 119.36 125.43 3dck n ILE 66 Ca -0.16 -3.35 0.00 0.00 1.00 0.00 0.00 62.75 60.24 3dck n ILE 66 Cb 0.52 -0.38 0.00 0.00 -0.71 0.00 0.00 39.64 39.07 3dck n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dck n GLY 68 N -1.06 0.00 3.66 7.39 0.00 -1.26 -4.76 105.19 109.16 3dck n GLY 68 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 3dck n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dck s HIS 69 N 0.00 3.26 -0.01 1.61 4.02 -1.26 -5.08 115.29 117.82 3dck s HIS 69 Ca 0.00 0.11 -0.20 0.00 1.02 0.00 0.00 55.06 55.99 3dck s HIS 69 Cb 0.00 -2.01 -0.05 0.00 -1.02 0.00 0.00 32.58 29.50 3dck s HIS 69 CO 0.00 0.25 0.58 0.15 1.02 0.00 0.00 174.74 176.75 3dck s LYS 70 N 0.02 4.30 0.09 1.40 1.02 -1.26 -4.30 119.74 121.00 3dck s LYS 70 Ca 0.05 0.70 0.02 0.00 0.02 0.00 0.00 55.97 56.77 3dck s LYS 70 Cb -0.12 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 3dck s LYS 70 CO 0.01 0.36 -0.08 0.00 -0.92 0.00 0.00 175.35 174.72 3dck s ALA 71 N -0.14 0.94 -0.18 5.17 0.00 0.02 -4.70 121.76 122.86 3dck s ALA 71 Ca 0.31 -1.19 -0.05 0.00 0.00 0.00 0.00 51.96 51.03 3dck s ALA 71 Cb -0.18 0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.10 3dck s ALA 71 CO 0.17 -0.13 0.11 0.42 0.00 0.00 0.00 175.76 176.32 3dck s ILE 72 N -2.83 -0.12 0.00 0.00 1.01 -1.26 -0.75 121.20 117.25 3dck s ILE 72 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.54 3dck s ILE 72 Cb -0.00 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.88 3dck s ILE 72 CO -0.02 -0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.25 3dck n GLY 73 N 5.28 1.51 3.72 6.18 0.00 -0.21 -4.76 105.19 116.92 3dck n GLY 73 Ca -0.07 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 3dck n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dck s THR 74 N -2.58 4.49 -0.08 2.61 2.01 -1.26 -0.56 115.64 120.26 3dck s THR 74 Ca 0.00 1.91 0.03 0.00 0.31 0.00 0.00 61.69 63.94 3dck s THR 74 Cb 0.00 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.30 3dck s THR 74 CO 0.00 0.22 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.29 3dck s VAL 75 N 0.53 1.49 -0.12 3.82 1.01 0.09 -4.46 120.40 122.77 3dck s VAL 75 Ca 0.51 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 3dck s VAL 75 Cb -0.24 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 3dck s VAL 75 CO 0.30 0.43 0.18 -0.76 0.00 0.00 0.00 175.10 175.25 3dck s LEU 76 N 0.55 4.37 -0.14 3.92 1.43 0.70 -0.98 118.68 128.52 3dck s LEU 76 Ca -0.16 0.50 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 3dck s LEU 76 Cb -0.17 -2.15 0.01 0.00 0.03 0.00 0.00 46.19 43.92 3dck s LEU 76 CO 0.06 0.36 -0.21 -0.69 0.23 0.00 0.00 176.35 176.10 3dck s VAL 77 N -0.81 2.18 -0.04 -1.59 1.01 -0.00 -0.73 120.40 120.41 3dck s VAL 77 Ca 0.15 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 3dck s VAL 77 Cb -0.12 -1.88 0.05 0.00 0.00 0.00 0.00 36.38 34.42 3dck s VAL 77 CO 0.04 0.54 0.67 0.61 0.00 0.00 0.00 175.10 176.97 3dck n GLY 78 N 4.10 0.26 2.31 4.51 0.00 -0.67 -0.41 105.19 115.29 3dck n GLY 78 Ca -0.20 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.75 3dck n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dck n PRO 79 N -0.48 1.86 -2.55 1.61 -0.04 -1.26 -3.57 135.00 130.56 3dck n PRO 79 Ca 0.03 -1.10 -0.39 0.00 -0.04 0.00 0.00 63.50 62.01 3dck n PRO 79 Cb 0.28 -2.14 -0.05 0.00 -0.04 0.00 0.00 33.50 31.56 3dck n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3dck s THR 80 N 2.24 3.69 0.17 0.52 -1.32 -1.26 -4.97 115.64 114.71 3dck s THR 80 Ca 0.47 1.53 0.34 0.00 -1.21 0.00 0.00 61.69 62.82 3dck s THR 80 Cb 0.18 -3.90 0.39 0.00 -1.51 0.00 0.00 72.50 67.66 3dck s THR 80 CO -0.02 0.23 2.02 1.55 -2.21 0.00 0.00 174.62 176.20 3dck h PRO 81 N 3.33 0.00 -3.39 7.08 0.13 -1.99 -3.44 132.00 133.72 3dck h PRO 81 Ca -0.47 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.40 3dck h PRO 81 Cb 1.21 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.02 3dck h PRO 81 CO 0.65 0.01 -0.65 0.08 -0.23 0.00 0.00 178.00 177.87 3dck s VAL 82 N -3.73 -0.04 0.17 1.56 1.01 -1.26 -5.11 120.40 113.00 3dck s VAL 82 Ca 0.00 0.16 -0.31 0.00 0.00 0.00 0.00 61.98 61.84 3dck s VAL 82 Cb 0.09 -0.17 -0.09 0.00 0.00 0.00 0.00 36.38 36.21 3dck s VAL 82 CO 0.53 0.07 1.49 0.20 0.00 0.00 0.00 175.10 177.38 3dck s ASN 83 N 0.95 6.67 -0.02 3.32 0.01 -1.26 -4.85 114.94 119.75 3dck s ASN 83 Ca -0.07 2.55 0.03 0.00 -0.71 0.00 0.00 52.86 54.66 3dck s ASN 83 Cb -0.10 -2.60 -0.00 0.00 0.41 0.00 0.00 41.25 38.96 3dck s ASN 83 CO -0.04 -0.74 -0.11 0.27 -1.51 0.00 0.00 177.10 174.97 3dck s ILE 84 N 0.82 0.90 -0.33 0.60 -4.36 0.06 0.01 121.20 118.90 3dck s ILE 84 Ca 0.66 -0.45 -0.12 0.00 -0.26 0.00 0.00 60.65 60.48 3dck s ILE 84 Cb -0.41 -0.78 -0.01 0.00 1.25 0.00 0.00 42.46 42.50 3dck s ILE 84 CO 0.34 0.27 0.21 -0.63 0.24 0.00 0.00 174.94 175.37 3dck s ILE 85 N -0.00 5.04 0.30 8.37 -1.09 0.56 -1.65 121.20 132.73 3dck s ILE 85 Ca -0.00 -0.31 0.04 0.00 -2.23 0.00 0.00 60.65 58.15 3dck s ILE 85 Cb -0.07 -3.59 0.05 0.00 -1.58 0.00 0.00 42.46 37.27 3dck s ILE 85 CO 0.00 0.00 0.42 0.61 -1.23 0.00 0.00 174.94 174.75 3dck n GLY 86 N 5.06 1.78 0.26 6.18 0.00 -1.15 -0.55 105.19 116.78 3dck n GLY 86 Ca -0.13 -2.15 0.11 0.00 0.00 0.00 0.00 46.02 43.84 3dck n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dck h ARG 87 N 0.00 0.00 -0.64 1.61 3.08 -0.58 -1.50 114.38 116.35 3dck h ARG 87 Ca -0.14 0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.98 3dck h ARG 87 Cb 0.63 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.64 3dck h ARG 87 CO 0.19 0.07 0.42 -2.95 -1.07 0.00 0.00 179.97 176.64 3dck h ASN 88 N 0.00 0.54 0.05 7.04 -1.07 -1.68 -1.35 115.58 119.12 3dck h ASN 88 Ca -0.00 0.00 -0.36 0.00 0.07 0.00 0.00 56.30 56.01 3dck h ASN 88 Cb 0.16 -0.11 -0.07 0.00 -2.07 0.00 0.00 38.32 36.23 3dck h ASN 88 CO 0.01 0.35 -2.32 0.18 0.07 0.00 0.00 177.43 175.72 3dck n LEU 89 N -4.48 0.32 -0.28 6.14 4.77 -0.83 -4.11 117.00 118.53 3dck n LEU 89 Ca 0.09 0.04 0.03 0.00 -0.03 0.00 0.00 56.01 56.14 3dck n LEU 89 Cb 0.25 0.36 0.24 0.00 -2.33 0.00 0.00 43.42 41.94 3dck n LEU 89 CO 0.34 0.52 1.25 -0.07 -1.33 0.00 0.00 177.39 178.10 3dck h LEU 90 N 0.00 0.90 -1.23 2.23 3.38 -1.08 -2.10 115.31 117.40 3dck h LEU 90 Ca -0.52 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.40 3dck h LEU 90 Cb 2.20 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.73 3dck h LEU 90 CO 0.03 0.60 0.03 0.71 0.09 0.00 0.00 178.44 179.89 3dck h THR 91 N 1.03 1.19 0.00 0.22 1.35 -1.43 -2.83 112.91 112.44 3dck h THR 91 Ca 0.35 -0.75 -0.05 0.00 -0.55 0.00 0.00 66.41 65.41 3dck h THR 91 Cb 0.10 0.89 -0.01 0.00 -1.73 0.00 0.00 68.15 67.41 3dck h THR 91 CO -0.12 0.26 -0.24 1.56 -0.25 0.00 0.00 175.52 176.74 3dck h GLN 92 N 0.53 0.00 -0.28 4.72 4.20 -1.54 -2.32 115.11 120.42 3dck h GLN 92 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3dck h GLN 92 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3dck h GLN 92 CO 0.01 0.24 0.00 0.44 -0.67 0.00 0.00 178.83 178.84 3dck n ILE 93 N -4.19 0.36 -1.64 2.54 -5.35 -1.08 -4.90 119.36 105.09 3dck n ILE 93 Ca -0.02 -0.57 0.00 0.00 -0.27 0.00 0.00 62.75 61.89 3dck n ILE 93 Cb 0.30 0.74 0.00 0.00 -1.74 0.00 0.00 39.64 38.94 3dck n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dck n GLY 94 N 1.34 -4.37 0.00 3.28 0.00 -0.88 -5.09 105.19 99.48 3dck n GLY 94 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3dck n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dck n THR 96 N 0.93 0.00 -3.90 2.61 -2.24 -1.26 -5.03 114.28 105.39 3dck n THR 96 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 3dck n THR 96 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 3dck n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3dck s LEU 97 N 0.00 4.37 -0.01 3.22 1.43 -1.26 -5.10 118.68 121.33 3dck s LEU 97 Ca 0.00 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 3dck s LEU 97 Cb 0.00 -2.28 0.02 0.00 0.03 0.00 0.00 46.19 43.96 3dck s LEU 97 CO 0.00 0.35 0.02 0.20 0.23 0.00 0.00 176.35 177.15 3dck s ASN 98 N -1.39 0.04 0.00 2.29 0.01 -1.26 -5.30 114.94 109.34 3dck s ASN 98 Ca 0.20 0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.37 3dck s ASN 98 Cb -0.12 -0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.49 3dck s ASN 98 CO 0.10 -0.08 0.00 2.22 -1.51 0.00 0.00 177.10 177.83