#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hdk s GLN 2 N 0.00 3.83 -0.12 0.54 0.74 -1.26 -5.11 119.66 118.29 3hdk s GLN 2 Ca 0.00 -0.38 0.01 0.00 0.05 0.00 0.00 55.36 55.05 3hdk s GLN 2 Cb 0.00 -3.12 0.02 0.00 1.10 0.00 0.00 33.01 31.01 3hdk s GLN 2 CO 0.00 0.31 -0.15 0.42 -0.55 0.00 0.00 175.29 175.32 3hdk s ILE 3 N 0.24 1.51 0.64 -2.34 1.01 -1.26 -5.13 121.20 115.87 3hdk s ILE 3 Ca 0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 60.03 3hdk s ILE 3 Cb -0.13 -1.39 0.07 0.00 0.01 0.00 0.00 42.46 41.03 3hdk s ILE 3 CO 0.01 0.44 0.89 0.42 0.00 0.00 0.00 174.94 176.70 3hdk s THR 4 N 1.09 2.41 -0.15 2.92 -4.23 -1.26 -5.03 115.64 111.39 3hdk s THR 4 Ca -0.04 -0.58 0.18 0.00 -1.18 0.00 0.00 61.69 60.07 3hdk s THR 4 Cb -0.14 -2.83 0.36 0.00 1.34 0.00 0.00 72.50 71.23 3hdk s THR 4 CO -0.03 0.00 1.23 0.18 -0.54 0.00 0.00 174.62 175.46 3hdk n LEU 5 N -2.61 2.81 0.13 4.79 4.77 -1.26 -4.59 117.00 121.05 3hdk n LEU 5 Ca 0.11 -3.09 0.02 0.00 -0.03 0.00 0.00 56.01 53.02 3hdk n LEU 5 Cb 0.60 -0.47 0.36 0.00 -2.33 0.00 0.00 43.42 41.59 3hdk n LEU 5 CO 0.45 0.71 0.82 -0.50 -1.33 0.00 0.00 177.39 177.54 3hdk h TRP 6 N 0.54 0.20 -2.18 -1.77 4.06 -2.07 -3.43 115.95 111.31 3hdk h TRP 6 Ca 0.00 -0.03 -0.60 0.00 2.06 0.00 0.00 58.89 60.32 3hdk h TRP 6 Cb 1.13 -0.05 -0.14 0.00 -1.00 0.00 0.00 29.16 29.10 3hdk h TRP 6 CO 0.16 0.40 -0.73 0.15 -3.56 0.00 0.00 178.44 174.86 3hdk s LYS 7 N -4.53 1.70 0.24 0.49 1.02 -1.26 -5.10 119.74 112.30 3hdk s LYS 7 Ca -0.05 -1.81 -0.31 0.00 0.02 0.00 0.00 55.97 53.82 3hdk s LYS 7 Cb 0.15 -1.70 -0.13 0.00 -0.52 0.00 0.00 37.83 35.62 3hdk s LYS 7 CO 0.74 0.26 1.46 0.54 -0.92 0.00 0.00 175.35 177.43 3hdk n ARG 8 N -0.66 2.16 -1.61 1.68 1.74 -1.26 -4.85 116.66 113.86 3hdk n ARG 8 Ca -0.05 0.77 -0.41 0.00 -0.77 0.00 0.00 57.85 57.38 3hdk n ARG 8 Cb 0.61 -2.46 -0.01 0.00 -1.02 0.00 0.00 32.46 29.58 3hdk n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3hdk n PRO 9 N 2.21 2.94 -3.00 5.56 -0.04 -1.26 -4.93 135.00 136.47 3hdk n PRO 9 Ca 0.12 -2.47 -0.40 0.00 -0.04 0.00 0.00 63.50 60.70 3hdk n PRO 9 Cb 0.32 -3.17 -0.05 0.00 -0.04 0.00 0.00 33.50 30.56 3hdk n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hdk s LEU 10 N 1.75 4.42 0.13 1.53 1.43 -1.26 -1.28 118.68 125.40 3hdk s LEU 10 Ca 0.52 1.39 0.02 0.00 -1.03 0.00 0.00 54.13 55.03 3hdk s LEU 10 Cb 0.15 -3.20 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 3hdk s LEU 10 CO -0.07 -0.01 -0.04 0.68 0.23 0.00 0.00 176.35 177.13 3hdk s VAL 11 N 0.13 0.70 0.08 -1.59 -7.23 -0.03 -4.95 120.40 107.50 3hdk s VAL 11 Ca 0.38 -1.96 -0.19 0.00 -1.81 0.00 0.00 61.98 58.40 3hdk s VAL 11 Cb -0.20 -1.87 -0.07 0.00 0.56 0.00 0.00 36.38 34.80 3hdk s VAL 11 CO 0.22 -0.70 0.57 -0.89 -0.31 0.00 0.00 175.10 173.99 3hdk s THR 12 N -3.63 4.74 0.16 5.32 2.01 -1.26 -0.85 115.64 122.13 3hdk s THR 12 Ca 0.17 1.20 0.08 0.00 0.31 0.00 0.00 61.69 63.46 3hdk s THR 12 Cb 0.05 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 3hdk s THR 12 CO -0.01 0.54 -0.18 0.27 -0.69 0.00 0.00 174.62 174.56 3hdk s ILE 13 N -1.12 1.73 -0.14 1.82 -4.36 0.27 -4.68 121.20 114.73 3hdk s ILE 13 Ca 0.29 -1.88 -0.00 0.00 -0.26 0.00 0.00 60.65 58.79 3hdk s ILE 13 Cb -0.19 -1.79 -0.01 0.00 1.25 0.00 0.00 42.46 41.71 3hdk s ILE 13 CO 0.19 -0.33 -0.12 -0.13 0.24 0.00 0.00 174.94 174.78 3hdk s ARG 14 N -2.78 3.39 -0.20 0.37 0.52 -0.31 -1.30 118.95 118.63 3hdk s ARG 14 Ca 0.15 -0.68 -0.09 0.00 -0.52 0.00 0.00 55.73 54.58 3hdk s ARG 14 Cb -0.06 -2.66 0.08 0.00 0.52 0.00 0.00 34.95 32.83 3hdk s ARG 14 CO 0.06 0.19 0.46 -1.50 0.02 0.00 0.00 175.30 174.53 3hdk s ILE 15 N 0.42 -0.30 -1.98 1.52 2.07 -0.62 -1.09 121.20 121.22 3hdk s ILE 15 Ca -0.10 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.25 3hdk s ILE 15 Cb -0.16 -0.70 0.00 0.00 0.13 0.00 0.00 42.46 41.73 3hdk s ILE 15 CO 0.05 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.73 3hdk n GLY 16 N 4.73 0.54 1.46 1.50 0.00 -1.26 -2.21 105.19 109.95 3hdk n GLY 16 Ca -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3hdk n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hdk n GLY 17 N -0.76 1.30 3.67 -0.02 0.00 -1.26 -5.00 105.19 103.13 3hdk n GLY 17 Ca -0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 3hdk n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hdk s GLN 18 N -0.51 2.10 -0.12 1.61 -2.07 -0.94 -5.13 119.66 114.60 3hdk s GLN 18 Ca 0.00 -1.90 -0.06 0.00 -1.82 0.00 0.00 55.36 51.57 3hdk s GLN 18 Cb 0.00 -1.86 -0.04 0.00 -1.09 0.00 0.00 33.01 30.02 3hdk s GLN 18 CO 0.00 -0.03 0.12 -0.51 -1.32 0.00 0.00 175.29 173.54 3hdk s LEU 19 N -3.80 4.24 0.09 2.60 1.43 -1.26 -1.59 118.68 120.39 3hdk s LEU 19 Ca 0.38 0.40 0.02 0.00 -1.03 0.00 0.00 54.13 53.89 3hdk s LEU 19 Cb 0.05 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 3hdk s LEU 19 CO 0.20 0.39 -0.06 -0.54 0.23 0.00 0.00 176.35 176.56 3hdk s LYS 20 N -0.89 0.81 -0.11 1.70 1.02 -0.42 -4.98 119.74 116.86 3hdk s LYS 20 Ca 0.14 -1.29 -0.06 0.00 0.02 0.00 0.00 55.97 54.77 3hdk s LYS 20 Cb -0.12 -0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 36.96 3hdk s LYS 20 CO 0.03 -0.02 0.13 -2.00 -0.92 0.00 0.00 175.35 172.57 3hdk s GLU 21 N -3.70 3.39 0.07 1.68 2.12 -1.26 -0.57 118.70 120.43 3hdk s GLU 21 Ca 0.10 -0.17 -0.10 0.00 0.36 0.00 0.00 54.97 55.17 3hdk s GLU 21 Cb 0.04 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.30 3hdk s GLU 21 CO -0.05 0.77 0.22 0.00 -0.54 0.00 0.00 175.26 175.66 3hdk s ALA 22 N -1.02 -0.36 -0.16 6.30 0.00 -0.03 -4.59 121.76 121.89 3hdk s ALA 22 Ca 0.15 -0.42 -0.14 0.00 0.00 0.00 0.00 51.96 51.55 3hdk s ALA 22 Cb -0.12 0.43 -0.05 0.00 0.00 0.00 0.00 23.12 23.38 3hdk s ALA 22 CO 0.04 -0.47 0.30 -1.17 0.00 0.00 0.00 175.76 174.47 3hdk s LEU 23 N -2.56 4.23 -0.30 0.00 2.96 0.36 -0.85 118.68 122.51 3hdk s LEU 23 Ca 0.01 0.51 -0.29 0.00 -0.22 0.00 0.00 54.13 54.14 3hdk s LEU 23 Cb 0.02 -2.39 0.01 0.00 0.50 0.00 0.00 46.19 44.34 3hdk s LEU 23 CO -0.08 0.08 1.19 -0.76 -1.32 0.00 0.00 176.35 175.46 3hdk s LEU 24 N 0.55 3.92 -0.35 -0.68 1.43 -0.40 -0.07 118.68 123.08 3hdk s LEU 24 Ca 0.17 1.15 0.02 0.00 -1.03 0.00 0.00 54.13 54.43 3hdk s LEU 24 Cb -0.13 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.65 3hdk s LEU 24 CO 0.04 -0.97 0.11 -0.62 0.23 0.00 0.00 176.35 175.14 3hdk s ASP 25 N 2.22 4.25 0.36 2.29 -1.08 0.21 -4.81 116.67 120.11 3hdk s ASP 25 Ca 0.51 -2.03 0.27 0.00 -0.52 0.00 0.00 52.55 50.79 3hdk s ASP 25 Cb -0.15 -1.19 1.19 0.00 -1.46 0.00 0.00 42.92 41.31 3hdk s ASP 25 CO 0.19 -0.37 1.81 0.71 0.52 0.00 0.00 175.17 178.03 3hdk h THR 26 N 6.31 0.00 -0.34 1.71 1.35 -1.93 -2.40 112.91 117.61 3hdk h THR 26 Ca -0.08 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3hdk h THR 26 Cb 1.00 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3hdk h THR 26 CO 0.50 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 3hdk n GLY 27 N -0.25 0.83 3.56 5.82 0.00 -1.26 -4.84 105.19 109.05 3hdk n GLY 27 Ca 0.01 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 3hdk n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hdk s ALA 28 N -1.55 3.13 0.16 4.61 0.00 -0.90 -5.00 121.76 122.21 3hdk s ALA 28 Ca 0.31 -0.80 -0.07 0.00 0.00 0.00 0.00 51.96 51.40 3hdk s ALA 28 Cb 0.16 -1.61 0.03 0.00 0.00 0.00 0.00 23.12 21.70 3hdk s ALA 28 CO 0.23 0.27 1.47 -0.44 0.00 0.00 0.00 175.76 177.29 3hdk h ASP 29 N 6.43 0.78 -2.52 0.00 3.32 -1.88 0.44 116.42 122.99 3hdk h ASP 29 Ca -0.36 -0.41 -0.55 0.00 0.02 0.00 0.00 57.03 55.74 3hdk h ASP 29 Cb 1.19 -0.22 -0.14 0.00 0.22 0.00 0.00 39.33 40.37 3hdk h ASP 29 CO 0.63 1.17 -0.67 -1.81 -1.72 0.00 0.00 179.24 176.84 3hdk s ASP 30 N -6.93 3.15 -0.16 6.45 1.01 -1.26 -2.08 116.67 116.85 3hdk s ASP 30 Ca -0.09 -1.21 -0.15 0.00 0.71 0.00 0.00 52.55 51.81 3hdk s ASP 30 Cb 0.11 -0.24 -0.04 0.00 1.01 0.00 0.00 42.92 43.75 3hdk s ASP 30 CO 0.86 -0.31 0.34 -0.89 0.21 0.00 0.00 175.17 175.38 3hdk s THR 31 N -2.87 5.27 -0.07 -1.27 2.01 -1.26 -3.11 115.64 114.34 3hdk s THR 31 Ca 0.31 0.64 0.01 0.00 0.31 0.00 0.00 61.69 62.97 3hdk s THR 31 Cb 0.04 -3.68 0.02 0.00 0.01 0.00 0.00 72.50 68.89 3hdk s THR 31 CO 0.14 0.36 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.66 3hdk s VAL 32 N 0.59 0.90 0.04 3.82 1.01 -0.55 -0.48 120.40 125.73 3hdk s VAL 32 Ca 0.19 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.95 3hdk s VAL 32 Cb -0.14 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 3hdk s VAL 32 CO 0.06 0.32 -0.22 -0.63 0.00 0.00 0.00 175.10 174.62 3hdk s ILE 33 N 1.12 1.80 0.93 2.22 -1.09 0.10 -0.83 121.20 125.46 3hdk s ILE 33 Ca -0.07 -1.24 -0.13 0.00 -2.23 0.00 0.00 60.65 56.98 3hdk s ILE 33 Cb -0.14 -1.56 0.03 0.00 -1.58 0.00 0.00 42.46 39.21 3hdk s ILE 33 CO -0.01 0.26 0.40 -1.84 -1.23 0.00 0.00 174.94 172.52 3hdk n GLU 34 N 1.85 -0.23 -1.56 2.79 0.28 -1.26 -1.89 120.64 120.63 3hdk n GLU 34 Ca -0.17 -0.02 -0.45 0.00 -0.16 0.00 0.00 57.16 56.35 3hdk n GLU 34 Cb 0.53 -1.85 -0.02 0.00 1.43 0.00 0.00 31.44 31.54 3hdk n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3hdk n GLU 35 N -1.55 1.13 -3.76 3.44 1.02 -1.22 -4.50 120.64 115.19 3hdk n GLU 35 Ca 0.07 0.40 -0.36 0.00 -0.02 0.00 0.00 57.16 57.25 3hdk n GLU 35 Cb 0.53 -1.71 -0.10 0.00 -0.02 0.00 0.00 31.44 30.15 3hdk n GLU 35 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3hdk s ASN 37 N -0.62 5.92 -0.02 1.62 0.01 -1.26 -5.00 114.94 115.58 3hdk s ASN 37 Ca 0.60 0.09 0.02 0.00 -0.71 0.00 0.00 52.86 52.85 3hdk s ASN 37 Cb -0.74 -2.05 0.00 0.00 0.41 0.00 0.00 41.25 38.87 3hdk s ASN 37 CO 0.59 0.10 -0.05 -0.76 -1.51 0.00 0.00 177.10 175.47 3hdk s LEU 38 N 0.86 1.77 0.49 0.60 1.43 -1.26 -4.93 118.68 117.64 3hdk s LEU 38 Ca 0.06 -0.11 -0.21 0.00 -1.03 0.00 0.00 54.13 52.85 3hdk s LEU 38 Cb -0.13 -0.35 -0.08 0.00 0.03 0.00 0.00 46.19 45.66 3hdk s LEU 38 CO 0.03 0.03 1.07 -2.84 0.23 0.00 0.00 176.35 174.87 3hdk s PRO 39 N 0.22 3.72 0.00 1.29 0.02 -1.26 -5.04 135.00 133.95 3hdk s PRO 39 Ca -0.02 1.48 0.00 0.00 0.02 0.00 0.00 61.00 62.47 3hdk s PRO 39 Cb -0.07 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 32.31 3hdk s PRO 39 CO -0.00 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 176.56 3hdk n GLY 40 N -0.02 0.99 3.54 0.52 0.00 -1.26 -5.04 105.19 103.92 3hdk n GLY 40 Ca 0.09 -1.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 3hdk n GLY 40 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hdk s TRP 42 N 0.00 -0.32 0.05 1.61 1.48 -1.26 -5.12 118.94 115.38 3hdk s TRP 42 Ca 0.00 0.32 0.09 0.00 -1.06 0.00 0.00 56.10 55.44 3hdk s TRP 42 Cb 0.00 0.51 -0.03 0.00 -1.16 0.00 0.00 33.47 32.79 3hdk s TRP 42 CO 0.00 -0.43 -0.24 -1.59 -4.06 0.00 0.00 176.95 170.63 3hdk s LYS 43 N -2.43 1.57 0.28 3.25 -2.85 -0.53 -4.90 119.74 114.13 3hdk s LYS 43 Ca 0.04 -1.06 -0.29 0.00 -1.00 0.00 0.00 55.97 53.65 3hdk s LYS 43 Cb -0.01 -1.75 -0.10 0.00 -2.06 0.00 0.00 37.83 33.92 3hdk s LYS 43 CO -0.05 0.45 1.28 -2.14 0.10 0.00 0.00 175.35 174.98 3hdk s PRO 44 N -1.30 4.41 0.00 1.78 0.02 -1.26 -0.00 135.00 138.64 3hdk s PRO 44 Ca 0.10 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.22 3hdk s PRO 44 Cb -0.09 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.30 3hdk s PRO 44 CO 0.02 -0.15 0.00 1.17 -0.33 0.00 0.00 177.00 177.71 3hdk n LYS 45 N 1.48 0.00 0.00 5.54 4.81 -0.82 -4.88 118.16 124.29 3hdk n LYS 45 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 3hdk n LYS 45 Cb 0.42 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.47 3hdk n LYS 45 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 3hdk n ILE 47 N 0.00 0.00 -4.53 3.15 -5.35 -0.69 -0.11 119.36 111.83 3hdk n ILE 47 Ca 0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.18 3hdk n ILE 47 Cb 0.00 0.00 -0.12 0.00 -1.74 0.00 0.00 39.64 37.78 3hdk n ILE 47 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3hdk s GLY 48 N 0.00 1.60 0.00 3.28 0.00 -1.26 -0.88 107.32 110.05 3hdk s GLY 48 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.43 3hdk s GLY 48 CO 0.00 -1.22 0.00 0.61 0.00 0.00 0.00 173.10 172.49 3hdk n GLY 49 N 1.24 4.03 0.00 0.20 0.00 -1.26 -5.00 105.19 104.40 3hdk n GLY 49 Ca -0.16 -1.49 0.08 0.00 0.00 0.00 0.00 46.02 44.45 3hdk n GLY 49 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3hdk n ILE 50 N 0.00 0.00 0.00 -0.61 -6.64 -1.26 -4.95 119.36 105.90 3hdk n ILE 50 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 3hdk n ILE 50 Cb 0.00 -0.52 0.00 0.00 -1.44 0.00 0.00 39.64 37.68 3hdk n ILE 50 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3hdk n GLY 52 N 0.35 -1.29 3.45 3.28 0.00 -1.26 -5.25 105.19 104.46 3hdk n GLY 52 Ca 0.12 -1.46 -0.25 0.00 0.00 0.00 0.00 46.02 44.43 3hdk n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hdk s PHE 53 N 0.00 2.29 0.21 1.61 0.40 -1.26 -4.43 117.98 116.80 3hdk s PHE 53 Ca 0.00 -0.34 0.09 0.00 -0.60 0.00 0.00 56.93 56.08 3hdk s PHE 53 Cb 0.00 -1.06 -0.05 0.00 0.51 0.00 0.00 43.02 42.43 3hdk s PHE 53 CO 0.00 0.62 -0.17 0.96 0.70 0.00 0.00 175.22 177.33 3hdk s ILE 54 N -2.14 1.92 0.01 0.64 -4.36 -0.06 -4.97 121.20 112.25 3hdk s ILE 54 Ca 0.26 -2.15 -0.21 0.00 -0.26 0.00 0.00 60.65 58.29 3hdk s ILE 54 Cb -0.06 -2.03 -0.06 0.00 1.25 0.00 0.00 42.46 41.56 3hdk s ILE 54 CO 0.13 -0.46 0.60 -0.54 0.24 0.00 0.00 174.94 174.91 3hdk s LYS 55 N -3.32 4.31 0.19 0.37 1.02 -1.26 -1.70 119.74 119.34 3hdk s LYS 55 Ca 0.22 0.76 0.02 0.00 0.02 0.00 0.00 55.97 56.98 3hdk s LYS 55 Cb -0.03 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.91 3hdk s LYS 55 CO 0.08 0.42 0.02 0.14 -0.92 0.00 0.00 175.35 175.09 3hdk s VAL 56 N -0.36 0.67 -0.24 3.17 -7.23 0.84 -4.56 120.40 112.69 3hdk s VAL 56 Ca 0.31 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 58.38 3hdk s VAL 56 Cb -0.19 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.49 3hdk s VAL 56 CO 0.18 -0.39 0.19 -0.13 -0.31 0.00 0.00 175.10 174.64 3hdk s ARG 57 N -3.93 4.07 -0.31 4.82 0.52 0.50 -1.94 118.95 122.67 3hdk s ARG 57 Ca 0.26 -0.23 -0.14 0.00 -0.52 0.00 0.00 55.73 55.11 3hdk s ARG 57 Cb 0.06 -3.55 -0.02 0.00 0.52 0.00 0.00 34.95 31.96 3hdk s ARG 57 CO 0.06 0.02 0.33 -1.14 0.02 0.00 0.00 175.30 174.59 3hdk s GLN 58 N 1.16 3.73 -0.19 3.54 0.74 0.99 -0.87 119.66 128.76 3hdk s GLN 58 Ca 0.09 -0.30 -0.05 0.00 0.05 0.00 0.00 55.36 55.14 3hdk s GLN 58 Cb -0.14 -3.75 -0.03 0.00 1.10 0.00 0.00 33.01 30.20 3hdk s GLN 58 CO 0.05 -0.41 0.01 0.71 -0.55 0.00 0.00 175.29 175.11 3hdk s TYR 59 N 1.98 3.09 0.29 1.67 1.51 -0.12 -1.45 117.35 124.31 3hdk s TYR 59 Ca 0.12 -0.28 0.02 0.00 -1.01 0.00 0.00 57.07 55.91 3hdk s TYR 59 Cb -0.16 -2.06 -0.03 0.00 -0.11 0.00 0.00 41.96 39.59 3hdk s TYR 59 CO 0.11 -0.10 0.46 -0.51 -1.11 0.00 0.00 175.55 174.41 3hdk s ASP 60 N 0.72 6.32 -1.43 2.29 1.01 -1.26 -0.84 116.67 123.47 3hdk s ASP 60 Ca 0.01 0.33 -0.06 0.00 0.71 0.00 0.00 52.55 53.53 3hdk s ASP 60 Cb -0.14 -1.98 0.04 0.00 1.01 0.00 0.00 42.92 41.85 3hdk s ASP 60 CO 0.02 -0.18 0.77 1.67 0.21 0.00 0.00 175.17 177.65 3hdk n GLN 61 N -1.46 -4.77 -3.15 8.23 7.27 -1.17 -4.89 117.38 117.43 3hdk n GLN 61 Ca -0.06 0.56 -0.40 0.00 0.07 0.00 0.00 57.00 57.17 3hdk n GLN 61 Cb 0.56 -5.18 -0.06 0.00 2.41 0.00 0.00 30.24 27.96 3hdk n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3hdk s ILE 62 N -3.56 5.04 0.24 1.69 -1.09 0.59 -4.66 121.20 119.45 3hdk s ILE 62 Ca 0.30 1.11 -0.30 0.00 -2.23 0.00 0.00 60.65 59.52 3hdk s ILE 62 Cb -0.15 -3.91 -0.09 0.00 -1.58 0.00 0.00 42.46 36.72 3hdk s ILE 62 CO 0.84 0.11 1.34 -2.84 -1.23 0.00 0.00 174.94 173.16 3hdk s PRO 63 N 1.99 4.35 -0.02 2.79 0.02 -1.26 -1.07 135.00 141.80 3hdk s PRO 63 Ca 0.27 2.15 -0.00 0.00 0.02 0.00 0.00 61.00 63.44 3hdk s PRO 63 Cb -0.16 -3.14 0.02 0.00 0.02 0.00 0.00 34.50 31.24 3hdk s PRO 63 CO 0.10 -0.27 0.03 0.08 -0.33 0.00 0.00 177.00 176.60 3hdk s VAL 64 N -0.23 -0.04 -0.19 3.83 1.01 0.29 -4.37 120.40 120.70 3hdk s VAL 64 Ca 0.55 0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.62 3hdk s VAL 64 Cb -0.39 -0.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 3hdk s VAL 64 CO 0.43 0.06 0.04 -0.70 0.00 0.00 0.00 175.10 174.94 3hdk s GLU 65 N 0.78 3.86 -0.20 2.72 2.12 -0.25 -0.92 118.70 126.82 3hdk s GLU 65 Ca -0.06 -0.40 0.12 0.00 0.36 0.00 0.00 54.97 54.98 3hdk s GLU 65 Cb -0.09 -3.17 0.42 0.00 0.26 0.00 0.00 34.13 31.54 3hdk s GLU 65 CO -0.02 0.19 1.22 -0.89 -0.54 0.00 0.00 175.26 175.22 3hdk n ILE 66 N 3.76 2.12 0.00 -3.70 5.41 -1.26 -1.16 119.36 124.52 3hdk n ILE 66 Ca -0.17 -3.13 0.00 0.00 1.00 0.00 0.00 62.75 60.45 3hdk n ILE 66 Cb 0.52 -0.19 0.00 0.00 -0.71 0.00 0.00 39.64 39.26 3hdk n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hdk n GLY 68 N -1.07 0.00 3.74 7.39 0.00 -1.26 -4.76 105.19 109.24 3hdk n GLY 68 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3hdk n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hdk s HIS 69 N 0.00 3.41 0.10 1.61 4.02 -1.26 -5.08 115.29 118.08 3hdk s HIS 69 Ca 0.00 0.31 -0.25 0.00 1.02 0.00 0.00 55.06 56.14 3hdk s HIS 69 Cb 0.00 -2.08 -0.06 0.00 -1.02 0.00 0.00 32.58 29.42 3hdk s HIS 69 CO 0.00 0.37 0.78 0.15 1.02 0.00 0.00 174.74 177.05 3hdk s LYS 70 N 0.01 4.53 0.07 1.40 1.02 -1.26 -4.36 119.74 121.15 3hdk s LYS 70 Ca 0.09 1.12 0.02 0.00 0.02 0.00 0.00 55.97 57.21 3hdk s LYS 70 Cb -0.12 -3.32 -0.03 0.00 -0.52 0.00 0.00 37.83 33.84 3hdk s LYS 70 CO -0.00 0.40 -0.07 0.00 -0.92 0.00 0.00 175.35 174.75 3hdk s ALA 71 N -0.50 0.77 -0.11 5.17 0.00 -0.10 -4.67 121.76 122.32 3hdk s ALA 71 Ca 0.38 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.27 3hdk s ALA 71 Cb -0.22 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.04 3hdk s ALA 71 CO 0.25 -0.12 0.04 0.42 0.00 0.00 0.00 175.76 176.35 3hdk s ILE 72 N -2.43 0.20 0.00 0.00 1.01 -1.26 -0.55 121.20 118.18 3hdk s ILE 72 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.63 3hdk s ILE 72 Cb -0.03 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 41.87 3hdk s ILE 72 CO -0.02 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.55 3hdk n GLY 73 N 5.19 1.36 3.73 6.18 0.00 -0.24 -4.76 105.19 116.65 3hdk n GLY 73 Ca -0.07 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 3hdk n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hdk s THR 74 N -2.33 4.27 -0.08 2.61 2.01 -1.26 -0.30 115.64 120.56 3hdk s THR 74 Ca 0.00 1.93 0.02 0.00 0.31 0.00 0.00 61.69 63.95 3hdk s THR 74 Cb 0.00 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.29 3hdk s THR 74 CO 0.00 0.32 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.44 3hdk s VAL 75 N -0.16 1.21 -0.08 3.82 1.01 -0.02 -4.42 120.40 121.75 3hdk s VAL 75 Ca 0.47 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 3hdk s VAL 75 Cb -0.25 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 3hdk s VAL 75 CO 0.31 0.38 0.28 -0.76 0.00 0.00 0.00 175.10 175.31 3hdk s LEU 76 N 0.88 4.40 -0.11 3.92 1.43 0.37 -0.95 118.68 128.63 3hdk s LEU 76 Ca -0.10 0.68 0.03 0.00 -1.03 0.00 0.00 54.13 53.71 3hdk s LEU 76 Cb -0.15 -2.34 0.01 0.00 0.03 0.00 0.00 46.19 43.74 3hdk s LEU 76 CO 0.01 0.32 -0.21 -0.69 0.23 0.00 0.00 176.35 176.01 3hdk s VAL 77 N -0.78 1.88 -1.55 -1.59 1.01 -0.05 0.03 120.40 119.36 3hdk s VAL 77 Ca 0.19 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.27 3hdk s VAL 77 Cb -0.14 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.59 3hdk s VAL 77 CO 0.08 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.31 3hdk n GLY 78 N 3.76 -1.40 2.48 4.51 0.00 -0.79 -0.37 105.19 113.38 3hdk n GLY 78 Ca -0.20 -0.99 -0.24 0.00 0.00 0.00 0.00 46.02 44.59 3hdk n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hdk n PRO 79 N -0.09 2.39 -2.64 1.61 -0.04 -1.26 -3.44 135.00 131.53 3hdk n PRO 79 Ca 0.00 -1.54 -0.37 0.00 -0.04 0.00 0.00 63.50 61.55 3hdk n PRO 79 Cb 0.00 -2.46 -0.05 0.00 -0.04 0.00 0.00 33.50 30.95 3hdk n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3hdk s THR 80 N 2.88 3.91 0.47 0.52 -1.32 -1.26 -4.96 115.64 115.88 3hdk s THR 80 Ca 0.48 1.52 0.21 0.00 -1.21 0.00 0.00 61.69 62.69 3hdk s THR 80 Cb 0.14 -3.81 0.25 0.00 -1.51 0.00 0.00 72.50 67.57 3hdk s THR 80 CO -0.04 0.06 2.07 -0.65 -2.21 0.00 0.00 174.62 173.86 3hdk h PRO 81 N 2.80 0.00 -3.29 7.08 0.11 -1.99 -3.45 132.00 133.27 3hdk h PRO 81 Ca -0.48 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.43 3hdk h PRO 81 Cb 1.20 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.03 3hdk h PRO 81 CO 0.63 0.12 -0.55 0.08 -0.21 0.00 0.00 178.00 178.08 3hdk s VAL 82 N -4.54 -0.02 0.18 3.15 1.01 -1.26 -5.11 120.40 113.81 3hdk s VAL 82 Ca -0.04 0.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.70 3hdk s VAL 82 Cb 0.15 -0.25 -0.09 0.00 0.00 0.00 0.00 36.38 36.19 3hdk s VAL 82 CO 0.63 0.03 1.41 0.20 0.00 0.00 0.00 175.10 177.37 3hdk s ASN 83 N 0.50 6.76 -0.03 3.32 0.01 -1.26 -4.85 114.94 119.39 3hdk s ASN 83 Ca -0.03 2.48 0.03 0.00 -0.71 0.00 0.00 52.86 54.63 3hdk s ASN 83 Cb -0.05 -2.60 -0.00 0.00 0.41 0.00 0.00 41.25 39.01 3hdk s ASN 83 CO -0.02 -0.66 -0.12 0.27 -1.51 0.00 0.00 177.10 175.06 3hdk s ILE 84 N 0.57 0.99 -0.34 0.60 -4.36 -0.01 -0.49 121.20 118.17 3hdk s ILE 84 Ca 0.62 -0.48 -0.16 0.00 -0.26 0.00 0.00 60.65 60.37 3hdk s ILE 84 Cb -0.39 -0.86 -0.01 0.00 1.25 0.00 0.00 42.46 42.44 3hdk s ILE 84 CO 0.36 0.30 0.39 -0.63 0.24 0.00 0.00 174.94 175.60 3hdk s ILE 85 N 0.08 5.14 0.24 8.37 -1.09 0.90 -1.48 121.20 133.36 3hdk s ILE 85 Ca -0.02 0.12 0.04 0.00 -2.23 0.00 0.00 60.65 58.56 3hdk s ILE 85 Cb -0.09 -3.84 0.04 0.00 -1.58 0.00 0.00 42.46 36.99 3hdk s ILE 85 CO 0.01 -0.11 0.33 0.61 -1.23 0.00 0.00 174.94 174.55 3hdk n GLY 86 N 4.91 2.01 0.24 6.18 0.00 -1.18 -0.62 105.19 116.74 3hdk n GLY 86 Ca -0.08 -2.17 0.07 0.00 0.00 0.00 0.00 46.02 43.84 3hdk n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hdk h ARG 87 N 0.00 0.00 -0.85 1.61 3.08 -0.79 -0.30 114.38 117.14 3hdk h ARG 87 Ca -0.12 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.99 3hdk h ARG 87 Cb 0.52 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 3hdk h ARG 87 CO 0.17 0.10 0.55 -2.95 -1.07 0.00 0.00 179.97 176.77 3hdk h ASN 88 N 0.00 0.86 0.27 7.04 -1.07 -1.68 -1.71 115.58 119.29 3hdk h ASN 88 Ca -0.00 -0.00 -0.33 0.00 0.07 0.00 0.00 56.30 56.04 3hdk h ASN 88 Cb 0.19 -0.19 -0.06 0.00 -2.07 0.00 0.00 38.32 36.19 3hdk h ASN 88 CO 0.01 0.57 -2.01 0.18 0.07 0.00 0.00 177.43 176.25 3hdk n LEU 89 N -4.47 0.75 -0.28 6.14 4.77 -0.81 -4.17 117.00 118.92 3hdk n LEU 89 Ca 0.12 0.23 0.06 0.00 -0.03 0.00 0.00 56.01 56.39 3hdk n LEU 89 Cb 0.17 0.17 0.28 0.00 -2.33 0.00 0.00 43.42 41.71 3hdk n LEU 89 CO 0.34 0.48 1.24 -0.07 -1.33 0.00 0.00 177.39 178.05 3hdk h LEU 90 N 0.00 0.83 -1.28 2.23 3.38 -0.91 -1.30 115.31 118.27 3hdk h LEU 90 Ca -0.40 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 3hdk h LEU 90 Cb 2.10 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 3hdk h LEU 90 CO 0.05 0.51 -0.10 0.71 0.09 0.00 0.00 178.44 179.70 3hdk h THR 91 N 0.93 1.20 -0.05 0.22 1.35 -1.50 -2.80 112.91 112.26 3hdk h THR 91 Ca 0.40 -0.85 -0.09 0.00 -0.55 0.00 0.00 66.41 65.31 3hdk h THR 91 Cb 0.32 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.86 3hdk h THR 91 CO -0.16 0.27 -0.41 1.56 -0.25 0.00 0.00 175.52 176.54 3hdk h GLN 92 N 0.35 0.10 -0.15 4.72 4.20 -1.41 -2.40 115.11 120.52 3hdk h GLN 92 Ca 0.07 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3hdk h GLN 92 Cb 0.40 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3hdk h GLN 92 CO 0.02 0.49 0.00 0.44 -0.67 0.00 0.00 178.83 179.11 3hdk n ILE 93 N -4.04 0.18 -1.33 2.54 -5.35 -1.06 -4.93 119.36 105.38 3hdk n ILE 93 Ca -0.02 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 3hdk n ILE 93 Cb 0.45 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 39.05 3hdk n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hdk n GLY 94 N 1.25 -3.73 0.00 3.28 0.00 -0.91 -5.09 105.19 99.99 3hdk n GLY 94 Ca 0.17 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3hdk n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hdk n THR 96 N 0.52 0.00 -3.97 2.61 -2.24 -1.26 -5.04 114.28 104.90 3hdk n THR 96 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 3hdk n THR 96 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 3hdk n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hdk s LEU 97 N 0.00 4.22 -0.01 3.22 1.43 -1.26 -5.11 118.68 121.18 3hdk s LEU 97 Ca 0.00 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 3hdk s LEU 97 Cb 0.00 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.20 3hdk s LEU 97 CO 0.00 0.40 -0.04 0.20 0.23 0.00 0.00 176.35 177.14 3hdk s ASN 98 N -0.96 0.55 0.00 2.29 0.01 -1.26 -5.30 114.94 110.27 3hdk s ASN 98 Ca 0.14 -0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.22 3hdk s ASN 98 Cb -0.12 -0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.42 3hdk s ASN 98 CO 0.04 0.02 0.00 2.22 -1.51 0.00 0.00 177.10 177.87