#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 3.94 -0.26 0.54 0.74 -1.26 -5.09 119.66 118.28 3hdk s GLN 2 Ca 0.00 -0.35 -0.04 0.00 0.05 0.00 0.00 55.36 55.02 3hdk s GLN 2 Cb 0.00 -3.31 0.01 0.00 1.10 0.00 0.00 33.01 30.81 3hdk s GLN 2 CO 0.00 0.14 -0.01 0.42 -0.55 0.00 0.00 175.29 175.29 3hdk s ILE 3 N 0.76 3.39 0.82 -2.34 1.01 -1.26 -5.11 121.20 118.47 3hdk s ILE 3 Ca 0.04 -0.76 -0.12 0.00 0.00 0.00 0.00 60.65 59.82 3hdk s ILE 3 Cb -0.13 -2.68 0.09 0.00 0.01 0.00 0.00 42.46 39.75 3hdk s ILE 3 CO 0.02 0.22 1.18 0.42 0.00 0.00 0.00 174.94 176.78 3hdk s THR 4 N 1.43 2.02 -0.17 2.92 -4.23 -1.26 -5.01 115.64 111.34 3hdk s THR 4 Ca 0.03 -0.02 0.16 0.00 -1.18 0.00 0.00 61.69 60.68 3hdk s THR 4 Cb -0.16 -3.00 0.38 0.00 1.34 0.00 0.00 72.50 71.06 3hdk s THR 4 CO -0.02 0.00 1.24 0.18 -0.54 0.00 0.00 174.62 175.49 3hdk n LEU 5 N -3.33 2.87 -0.27 4.79 4.77 -1.26 -4.60 117.00 119.98 3hdk n LEU 5 Ca 0.09 -3.27 -0.06 0.00 -0.03 0.00 0.00 56.01 52.74 3hdk n LEU 5 Cb 0.61 -0.49 0.06 0.00 -2.33 0.00 0.00 43.42 41.27 3hdk n LEU 5 CO 0.56 0.86 1.06 -0.50 -1.33 0.00 0.00 177.39 178.05 3hdk h TRP 6 N 0.61 1.09 -1.69 -1.77 4.06 -2.06 -3.43 115.95 112.76 3hdk h TRP 6 Ca 0.02 -0.06 -0.62 0.00 2.06 0.00 0.00 58.89 60.29 3hdk h TRP 6 Cb 1.15 -0.34 -0.12 0.00 -1.00 0.00 0.00 29.16 28.85 3hdk h TRP 6 CO 0.31 0.81 -0.60 -1.59 -3.56 0.00 0.00 178.44 173.82 3hdk s LYS 7 N -5.66 1.98 0.27 0.49 -2.85 -1.26 -5.09 119.74 107.62 3hdk s LYS 7 Ca -0.13 -2.04 -0.31 0.00 -1.00 0.00 0.00 55.97 52.50 3hdk s LYS 7 Cb 0.15 -1.70 -0.12 0.00 -2.06 0.00 0.00 37.83 34.09 3hdk s LYS 7 CO 0.82 -0.03 1.53 0.54 0.10 0.00 0.00 175.35 178.31 3hdk n ARG 8 N -0.98 2.45 -2.22 1.78 1.74 -1.26 -4.85 116.66 113.32 3hdk n ARG 8 Ca -0.04 0.87 -0.38 0.00 -0.77 0.00 0.00 57.85 57.53 3hdk n ARG 8 Cb 0.66 -2.61 -0.02 0.00 -1.02 0.00 0.00 32.46 29.47 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 2.17 2.54 -3.58 5.56 -0.04 -1.26 -4.95 135.00 135.44 3hdk n PRO 9 Ca 0.10 -2.85 -0.37 0.00 -0.04 0.00 0.00 63.50 60.35 3hdk n PRO 9 Cb 0.35 -3.51 -0.07 0.00 -0.04 0.00 0.00 33.50 30.23 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 5.89 4.31 0.22 1.53 1.43 -1.26 -1.41 118.68 129.40 3hdk s LEU 10 Ca 0.58 0.60 0.01 0.00 -1.03 0.00 0.00 54.13 54.29 3hdk s LEU 10 Cb 0.04 -2.37 -0.05 0.00 0.03 0.00 0.00 46.19 43.84 3hdk s LEU 10 CO 0.08 0.19 0.07 0.68 0.23 0.00 0.00 176.35 177.60 3hdk s VAL 11 N -0.06 0.52 -0.05 -1.59 -7.23 0.75 -4.92 120.40 107.82 3hdk s VAL 11 Ca 0.18 -1.99 -0.21 0.00 -1.81 0.00 0.00 61.98 58.14 3hdk s VAL 11 Cb -0.14 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 3hdk s VAL 11 CO 0.06 -0.16 0.62 -0.89 -0.31 0.00 0.00 175.10 174.41 3hdk s THR 12 N -3.77 5.01 0.37 5.32 2.01 -1.26 -0.20 115.64 123.11 3hdk s THR 12 Ca 0.33 1.28 0.07 0.00 0.31 0.00 0.00 61.69 63.69 3hdk s THR 12 Cb 0.07 -3.96 -0.07 0.00 0.01 0.00 0.00 72.50 68.55 3hdk s THR 12 CO 0.10 0.34 -0.02 0.27 -0.69 0.00 0.00 174.62 174.61 3hdk s ILE 13 N 0.35 1.95 -0.09 1.82 -4.36 0.14 -4.64 121.20 116.36 3hdk s ILE 13 Ca 0.33 -2.07 0.01 0.00 -0.26 0.00 0.00 60.65 58.66 3hdk s ILE 13 Cb -0.18 -2.82 0.02 0.00 1.25 0.00 0.00 42.46 40.73 3hdk s ILE 13 CO 0.16 -0.09 -0.11 -0.60 0.24 0.00 0.00 174.94 174.55 3hdk s ARG 14 N -3.70 1.68 -0.07 0.37 3.52 -0.07 -1.62 118.95 119.07 3hdk s ARG 14 Ca 0.34 -0.36 -0.04 0.00 -0.13 0.00 0.00 55.73 55.53 3hdk s ARG 14 Cb 0.07 -1.53 0.03 0.00 -1.56 0.00 0.00 34.95 31.97 3hdk s ARG 14 CO 0.17 -0.10 0.16 -1.50 -0.81 0.00 0.00 175.30 173.22 3hdk s ILE 15 N 1.11 -0.03 -1.82 4.11 2.07 -0.03 -1.07 121.20 125.55 3hdk s ILE 15 Ca -0.06 0.11 0.00 0.00 -1.41 0.00 0.00 60.65 59.29 3hdk s ILE 15 Cb -0.14 -0.25 0.00 0.00 0.13 0.00 0.00 42.46 42.19 3hdk s ILE 15 CO -0.02 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.67 3hdk n GLY 16 N 3.76 0.48 1.99 1.50 0.00 -1.26 -0.31 105.19 111.34 3hdk n GLY 16 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.72 0.67 3.57 -0.02 0.00 -1.26 -5.04 105.19 102.38 3hdk n GLY 17 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 3hdk n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hdk s GLN 18 N -0.13 2.64 -0.06 1.61 -1.52 0.57 -5.12 119.66 117.65 3hdk s GLN 18 Ca 0.00 -0.63 -0.14 0.00 -1.95 0.00 0.00 55.36 52.64 3hdk s GLN 18 Cb 0.00 -2.52 -0.05 0.00 -0.22 0.00 0.00 33.01 30.22 3hdk s GLN 18 CO 0.00 0.64 0.35 -0.51 -0.25 0.00 0.00 175.29 175.52 3hdk s LEU 19 N -1.00 4.40 0.15 2.90 1.43 -1.26 -0.85 118.68 124.44 3hdk s LEU 19 Ca 0.14 0.78 -0.06 0.00 -1.03 0.00 0.00 54.13 53.96 3hdk s LEU 19 Cb -0.11 -2.48 -0.02 0.00 0.03 0.00 0.00 46.19 43.61 3hdk s LEU 19 CO 0.03 0.26 0.19 -0.54 0.23 0.00 0.00 176.35 176.52 3hdk s LYS 20 N -0.58 1.06 -0.11 1.70 1.02 -0.64 -4.99 119.74 117.20 3hdk s LYS 20 Ca 0.21 -1.28 -0.05 0.00 0.02 0.00 0.00 55.97 54.87 3hdk s LYS 20 Cb -0.15 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.44 3hdk s LYS 20 CO 0.10 -0.36 0.08 -1.21 -0.92 0.00 0.00 175.35 173.04 3hdk s GLU 21 N -4.00 3.30 0.04 1.68 0.41 -1.26 -0.68 118.70 118.18 3hdk s GLU 21 Ca 0.20 -0.26 -0.04 0.00 -0.41 0.00 0.00 54.97 54.46 3hdk s GLU 21 Cb 0.05 -3.03 -0.02 0.00 -1.78 0.00 0.00 34.13 29.35 3hdk s GLU 21 CO 0.01 0.70 0.05 0.00 -0.49 0.00 0.00 175.26 175.53 3hdk s ALA 22 N -0.85 0.07 -0.22 5.21 0.00 0.71 -4.32 121.76 122.37 3hdk s ALA 22 Ca 0.13 -0.68 -0.16 0.00 0.00 0.00 0.00 51.96 51.26 3hdk s ALA 22 Cb -0.12 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 3hdk s ALA 22 CO 0.03 -0.30 0.40 -1.17 0.00 0.00 0.00 175.76 174.72 3hdk s LEU 23 N -2.15 4.12 -0.36 0.00 2.96 0.77 -0.18 118.68 123.85 3hdk s LEU 23 Ca -0.05 0.46 -0.29 0.00 -0.22 0.00 0.00 54.13 54.03 3hdk s LEU 23 Cb -0.01 -2.50 0.01 0.00 0.50 0.00 0.00 46.19 44.19 3hdk s LEU 23 CO -0.05 -0.11 1.24 -0.76 -1.32 0.00 0.00 176.35 175.35 3hdk s LEU 24 N 1.54 3.79 -0.35 -0.68 1.43 -0.50 -0.19 118.68 123.73 3hdk s LEU 24 Ca 0.18 0.97 0.02 0.00 -1.03 0.00 0.00 54.13 54.26 3hdk s LEU 24 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.63 3hdk s LEU 24 CO 0.08 -1.14 0.10 -0.62 0.23 0.00 0.00 176.35 175.01 3hdk s ASP 25 N 2.70 4.31 0.37 2.29 -1.08 -0.32 -4.80 116.67 120.14 3hdk s ASP 25 Ca 0.53 -2.02 0.27 0.00 -0.52 0.00 0.00 52.55 50.81 3hdk s ASP 25 Cb -0.13 -1.23 1.26 0.00 -1.46 0.00 0.00 42.92 41.35 3hdk s ASP 25 CO 0.25 -0.38 1.81 0.71 0.52 0.00 0.00 175.17 178.08 3hdk h THR 26 N 6.36 0.00 -0.38 1.71 1.35 -1.94 -1.98 112.91 118.03 3hdk h THR 26 Ca -0.08 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3hdk h THR 26 Cb 1.00 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 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 -0.52 0.91 3.39 5.82 0.00 -1.26 -4.82 105.19 108.70 3hdk n GLY 27 Ca 0.00 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.50 2.95 0.31 4.61 0.00 -0.75 -5.00 121.76 122.39 3hdk s ALA 28 Ca 0.30 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 51.20 3hdk s ALA 28 Cb 0.16 -1.78 0.51 0.00 0.00 0.00 0.00 23.12 22.01 3hdk s ALA 28 CO 0.22 -0.31 1.84 -0.44 0.00 0.00 0.00 175.76 177.06 3hdk h ASP 29 N 7.85 0.58 -2.84 0.00 3.32 -1.87 -0.11 116.42 123.35 3hdk h ASP 29 Ca -0.38 -0.12 -0.53 0.00 0.02 0.00 0.00 57.03 56.02 3hdk h ASP 29 Cb 1.17 -0.15 -0.13 0.00 0.22 0.00 0.00 39.33 40.43 3hdk h ASP 29 CO 0.60 0.65 -0.56 -1.81 -1.72 0.00 0.00 179.24 176.39 3hdk s ASP 30 N -6.70 2.77 -0.15 6.45 1.01 -1.26 -2.56 116.67 116.23 3hdk s ASP 30 Ca -0.08 -1.51 -0.02 0.00 0.71 0.00 0.00 52.55 51.64 3hdk s ASP 30 Cb 0.15 0.18 -0.02 0.00 1.01 0.00 0.00 42.92 44.24 3hdk s ASP 30 CO 0.78 -0.74 -0.07 -0.89 0.21 0.00 0.00 175.17 174.46 3hdk s THR 31 N -3.20 3.60 -0.12 -1.27 2.01 -1.26 -3.24 115.64 112.15 3hdk s THR 31 Ca 0.29 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.83 3hdk s THR 31 Cb 0.06 -2.56 0.02 0.00 0.01 0.00 0.00 72.50 70.03 3hdk s THR 31 CO 0.14 0.50 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.76 3hdk s VAL 32 N 0.37 1.35 -0.00 3.82 1.01 0.04 -0.67 120.40 126.33 3hdk s VAL 32 Ca -0.06 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.49 3hdk s VAL 32 Cb -0.15 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 3hdk s VAL 32 CO 0.04 0.42 -0.25 -0.63 0.00 0.00 0.00 175.10 174.68 3hdk s ILE 33 N 1.41 1.98 0.80 2.22 -1.09 0.75 -0.49 121.20 126.78 3hdk s ILE 33 Ca 0.01 -1.14 -0.12 0.00 -2.23 0.00 0.00 60.65 57.17 3hdk s ILE 33 Cb -0.13 -1.66 0.08 0.00 -1.58 0.00 0.00 42.46 39.17 3hdk s ILE 33 CO -0.07 0.49 1.14 -1.61 -1.23 0.00 0.00 174.94 173.66 3hdk s GLU 34 N -0.76 1.82 0.31 2.79 0.41 -1.26 -2.78 118.70 119.23 3hdk s GLU 34 Ca 0.10 1.49 -0.13 0.00 -0.41 0.00 0.00 54.97 56.02 3hdk s GLU 34 Cb -0.10 -1.82 -0.10 0.00 -1.78 0.00 0.00 34.13 30.33 3hdk s GLU 34 CO -0.00 -2.02 -0.03 -1.91 -0.49 0.00 0.00 175.26 170.80 3hdk n GLU 35 N -3.47 0.00 -3.13 1.61 4.07 -1.25 -4.83 120.64 113.64 3hdk n GLU 35 Ca 0.11 0.00 -0.22 0.00 -0.06 0.00 0.00 57.16 56.99 3hdk n GLU 35 Cb 0.52 -0.67 -0.04 0.00 -0.06 0.00 0.00 31.44 31.18 3hdk n GLU 35 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3hdk n ASN 37 N 1.65 2.16 -4.76 4.31 3.02 -1.26 -5.09 115.26 115.29 3hdk n ASN 37 Ca 0.06 -3.23 -0.41 0.00 -0.03 0.00 0.00 54.58 50.97 3hdk n ASN 37 Cb 0.30 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 38.84 3hdk n ASN 37 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hdk s LEU 38 N -2.64 4.43 0.48 3.41 1.43 -1.26 -5.02 118.68 119.51 3hdk s LEU 38 Ca 0.42 2.58 -0.19 0.00 -1.03 0.00 0.00 54.13 55.92 3hdk s LEU 38 Cb 0.29 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.79 3hdk s LEU 38 CO -0.10 -0.51 0.98 -2.84 0.23 0.00 0.00 176.35 174.11 3hdk s PRO 39 N -1.20 3.99 0.00 1.29 0.02 -1.26 -5.08 135.00 132.75 3hdk s PRO 39 Ca 0.51 1.10 0.00 0.00 0.02 0.00 0.00 61.00 62.63 3hdk s PRO 39 Cb -0.38 -2.14 0.00 0.00 0.02 0.00 0.00 34.50 32.00 3hdk s PRO 39 CO 0.47 -0.24 0.00 0.41 -0.33 0.00 0.00 177.00 177.31 3hdk n GLY 40 N -0.98 0.47 3.61 0.52 0.00 -1.26 -5.04 105.19 102.50 3hdk n GLY 40 Ca 0.07 -0.98 -0.02 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.08 0.06 1.61 1.48 -1.26 -5.12 118.94 115.64 3hdk s TRP 42 Ca 0.00 0.03 0.08 0.00 -1.06 0.00 0.00 56.10 55.16 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 -0.15 -0.22 -1.59 -4.06 0.00 0.00 176.95 170.93 3hdk s LYS 43 N -2.29 1.87 0.52 3.25 -2.85 -0.58 -4.89 119.74 114.77 3hdk s LYS 43 Ca 0.11 -1.09 -0.21 0.00 -1.00 0.00 0.00 55.97 53.78 3hdk s LYS 43 Cb 0.00 -2.07 -0.06 0.00 -2.06 0.00 0.00 37.83 33.64 3hdk s LYS 43 CO -0.04 0.51 1.17 -1.25 0.10 0.00 0.00 175.35 175.84 3hdk s PRO 44 N -1.51 3.46 0.00 1.78 0.04 -1.26 -0.13 135.00 137.38 3hdk s PRO 44 Ca 0.14 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.91 3hdk s PRO 44 Cb -0.10 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3hdk s PRO 44 CO 0.05 -0.79 0.00 1.17 0.04 0.00 0.00 177.00 177.47 3hdk n LYS 45 N -0.99 0.00 -3.63 4.56 4.81 -0.69 -4.84 118.16 117.39 3hdk n LYS 45 Ca 0.10 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.51 3hdk n LYS 45 Cb 0.49 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.51 3hdk n LYS 45 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 3hdk s ILE 47 N -0.96 0.00 0.17 3.15 -5.25 -0.53 -0.53 121.20 117.25 3hdk s ILE 47 Ca 0.00 0.00 0.01 0.00 -0.99 0.00 0.00 60.65 59.67 3hdk s ILE 47 Cb 0.00 -1.00 -0.04 0.00 2.95 0.00 0.00 42.46 44.37 3hdk s ILE 47 CO 0.00 0.00 0.04 -0.83 -1.79 0.00 0.00 174.94 172.36 3hdk s GLY 48 N -1.59 1.22 0.00 6.27 0.00 -1.26 -1.04 107.32 110.92 3hdk s GLY 48 Ca 0.09 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.22 3hdk s GLY 48 CO -0.05 -1.47 0.00 0.61 0.00 0.00 0.00 173.10 172.19 3hdk n GLY 49 N -0.22 1.94 3.11 0.20 0.00 -1.26 -4.98 105.19 103.98 3hdk n GLY 49 Ca -0.05 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 3hdk n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hdk n ILE 50 N 0.00 0.00 0.00 -0.61 5.41 -1.26 -4.72 119.36 118.18 3hdk n ILE 50 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3hdk n ILE 50 Cb 0.00 -1.55 0.00 0.00 -0.71 0.00 0.00 39.64 37.38 3hdk n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hdk n GLY 52 N 4.19 0.00 3.45 7.39 0.00 -1.26 -5.14 105.19 113.82 3hdk n GLY 52 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 2.39 0.11 1.61 0.40 -1.26 -4.37 117.98 116.85 3hdk s PHE 53 Ca 0.00 -0.33 0.07 0.00 -0.60 0.00 0.00 56.93 56.07 3hdk s PHE 53 Cb 0.00 -1.20 -0.03 0.00 0.51 0.00 0.00 43.02 42.30 3hdk s PHE 53 CO 0.00 0.48 -0.18 0.96 0.70 0.00 0.00 175.22 177.18 3hdk s ILE 54 N -1.57 1.53 0.07 0.64 -4.36 -0.21 -4.97 121.20 112.33 3hdk s ILE 54 Ca 0.21 -1.57 -0.26 0.00 -0.26 0.00 0.00 60.65 58.77 3hdk s ILE 54 Cb -0.09 -1.48 -0.06 0.00 1.25 0.00 0.00 42.46 42.09 3hdk s ILE 54 CO 0.10 -0.19 0.79 -0.75 0.24 0.00 0.00 174.94 175.14 3hdk s LYS 55 N -2.11 4.53 0.16 0.37 2.20 -1.26 -1.46 119.74 122.17 3hdk s LYS 55 Ca 0.06 1.13 0.00 0.00 -0.36 0.00 0.00 55.97 56.80 3hdk s LYS 55 Cb -0.09 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 3hdk s LYS 55 CO 0.04 0.32 0.05 0.14 -0.36 0.00 0.00 175.35 175.54 3hdk s VAL 56 N -0.22 0.32 -0.22 4.02 -7.23 0.31 -4.67 120.40 112.72 3hdk s VAL 56 Ca 0.39 -1.95 -0.08 0.00 -1.81 0.00 0.00 61.98 58.54 3hdk s VAL 56 Cb -0.21 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 3hdk s VAL 56 CO 0.24 -0.38 0.07 -0.13 -0.31 0.00 0.00 175.10 174.60 3hdk s ARG 57 N -4.01 3.81 -0.24 4.82 0.52 -0.44 -1.70 118.95 121.70 3hdk s ARG 57 Ca 0.27 -0.41 -0.16 0.00 -0.52 0.00 0.00 55.73 54.90 3hdk s ARG 57 Cb 0.07 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 32.21 3hdk s ARG 57 CO 0.05 0.01 0.44 -1.14 0.02 0.00 0.00 175.30 174.67 3hdk s GLN 58 N 1.10 4.09 -0.10 3.54 0.74 0.82 -1.32 119.66 128.54 3hdk s GLN 58 Ca 0.04 0.21 0.01 0.00 0.05 0.00 0.00 55.36 55.67 3hdk s GLN 58 Cb -0.14 -3.61 -0.02 0.00 1.10 0.00 0.00 33.01 30.33 3hdk s GLN 58 CO 0.03 -0.22 -0.10 0.71 -0.55 0.00 0.00 175.29 175.16 3hdk s TYR 59 N 1.87 2.85 0.19 1.67 1.51 -0.51 -1.52 117.35 123.41 3hdk s TYR 59 Ca 0.19 -0.30 0.06 0.00 -1.01 0.00 0.00 57.07 56.01 3hdk s TYR 59 Cb -0.15 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.89 3hdk s TYR 59 CO 0.09 0.05 0.13 -0.51 -1.11 0.00 0.00 175.55 174.21 3hdk s ASP 60 N -0.21 5.42 -1.30 2.29 -0.00 -1.26 -1.22 116.67 120.39 3hdk s ASP 60 Ca 0.02 -0.20 -0.03 0.00 -0.00 0.00 0.00 52.55 52.34 3hdk s ASP 60 Cb -0.13 -1.38 0.01 0.00 -0.00 0.00 0.00 42.92 41.42 3hdk s ASP 60 CO 0.03 0.05 0.91 0.00 -0.00 0.00 0.00 175.17 176.15 3hdk n GLN 61 N -0.52 -6.03 -3.54 8.23 1.13 -1.09 -4.91 117.38 110.64 3hdk n GLN 61 Ca -0.08 0.73 -0.38 0.00 -1.94 0.00 0.00 57.00 55.33 3hdk n GLN 61 Cb 0.56 -5.56 -0.10 0.00 0.11 0.00 0.00 30.24 25.24 3hdk n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3hdk s ILE 62 N -3.47 5.28 0.18 5.09 -1.09 0.05 -4.75 121.20 122.49 3hdk s ILE 62 Ca 0.16 0.31 -0.31 0.00 -2.23 0.00 0.00 60.65 58.58 3hdk s ILE 62 Cb -0.07 -3.58 -0.09 0.00 -1.58 0.00 0.00 42.46 37.14 3hdk s ILE 62 CO 0.77 0.25 1.40 -2.16 -1.23 0.00 0.00 174.94 173.97 3hdk s PRO 63 N 1.66 4.32 -0.11 2.79 0.04 -1.26 -1.47 135.00 140.96 3hdk s PRO 63 Ca 0.10 2.16 -0.03 0.00 0.04 0.00 0.00 61.00 63.27 3hdk s PRO 63 Cb -0.15 -3.18 0.04 0.00 0.04 0.00 0.00 34.50 31.25 3hdk s PRO 63 CO 0.09 -0.39 0.05 0.08 0.04 0.00 0.00 177.00 176.87 3hdk s VAL 64 N 0.49 0.13 -0.10 -0.36 1.01 -0.14 -4.40 120.40 117.02 3hdk s VAL 64 Ca 0.61 0.02 -0.22 0.00 0.00 0.00 0.00 61.98 62.39 3hdk s VAL 64 Cb -0.39 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 3hdk s VAL 64 CO 0.36 0.00 0.64 -0.70 0.00 0.00 0.00 175.10 175.41 3hdk s GLU 65 N 2.06 4.37 -0.23 2.72 2.12 -0.23 -1.17 118.70 128.35 3hdk s GLU 65 Ca 0.03 0.74 0.10 0.00 0.36 0.00 0.00 54.97 56.21 3hdk s GLU 65 Cb -0.14 -3.47 0.43 0.00 0.26 0.00 0.00 34.13 31.21 3hdk s GLU 65 CO -0.06 0.02 1.21 -0.89 -0.54 0.00 0.00 175.26 175.00 3hdk n ILE 66 N 3.94 2.24 0.00 -3.70 5.41 -1.26 -0.89 119.36 125.11 3hdk n ILE 66 Ca -0.02 -3.44 0.00 0.00 1.00 0.00 0.00 62.75 60.29 3hdk n ILE 66 Cb 0.51 -0.42 0.00 0.00 -0.71 0.00 0.00 39.64 39.02 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 -0.99 0.00 3.66 7.39 0.00 -1.26 -4.73 105.19 109.25 3hdk n GLY 68 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 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 3.33 -0.08 1.61 4.02 -1.26 -5.07 115.29 117.84 3hdk s HIS 69 Ca 0.00 0.32 -0.26 0.00 1.02 0.00 0.00 55.06 56.14 3hdk s HIS 69 Cb 0.00 -2.34 -0.03 0.00 -1.02 0.00 0.00 32.58 29.19 3hdk s HIS 69 CO 0.00 0.03 0.83 0.15 1.02 0.00 0.00 174.74 176.77 3hdk s LYS 70 N 1.17 4.43 0.34 1.40 1.02 -1.26 -4.29 119.74 122.55 3hdk s LYS 70 Ca 0.11 1.09 0.06 0.00 0.02 0.00 0.00 55.97 57.25 3hdk s LYS 70 Cb -0.14 -3.49 -0.07 0.00 -0.52 0.00 0.00 37.83 33.61 3hdk s LYS 70 CO 0.06 -0.10 -0.00 0.00 -0.92 0.00 0.00 175.35 174.38 3hdk s ALA 71 N 1.31 2.67 -0.19 5.17 0.00 -0.32 -4.88 121.76 125.52 3hdk s ALA 71 Ca 0.42 -2.10 -0.08 0.00 0.00 0.00 0.00 51.96 50.20 3hdk s ALA 71 Cb -0.18 0.31 0.08 0.00 0.00 0.00 0.00 23.12 23.32 3hdk s ALA 71 CO 0.19 -0.15 0.43 -1.50 0.00 0.00 0.00 175.76 174.73 3hdk s ILE 72 N -2.97 -0.35 0.00 0.00 2.07 -1.26 -0.97 121.20 117.72 3hdk s ILE 72 Ca 0.34 0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.70 3hdk s ILE 72 Cb 0.07 -0.66 0.00 0.00 0.13 0.00 0.00 42.46 42.00 3hdk s ILE 72 CO 0.15 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.85 3hdk n GLY 73 N 4.85 0.82 3.72 1.50 0.00 -0.54 -4.84 105.19 110.71 3hdk n GLY 73 Ca -0.16 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.14 4.33 -0.06 2.61 2.01 -1.26 -0.77 115.64 120.35 3hdk s THR 74 Ca 0.00 1.79 0.05 0.00 0.31 0.00 0.00 61.69 63.83 3hdk s THR 74 Cb 0.00 -4.14 -0.00 0.00 0.01 0.00 0.00 72.50 68.36 3hdk s THR 74 CO 0.00 0.20 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.24 3hdk s VAL 75 N 0.54 1.73 -0.18 3.82 1.01 -0.36 -4.47 120.40 122.50 3hdk s VAL 75 Ca 0.52 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 3hdk s VAL 75 Cb -0.26 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 3hdk s VAL 75 CO 0.30 0.49 0.06 -0.76 0.00 0.00 0.00 175.10 175.19 3hdk s LEU 76 N 0.12 3.80 -0.18 3.92 1.43 0.16 -1.42 118.68 126.51 3hdk s LEU 76 Ca -0.08 0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.07 3hdk s LEU 76 Cb -0.14 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 3hdk s LEU 76 CO 0.04 0.19 -0.07 -0.69 0.23 0.00 0.00 176.35 176.05 3hdk s VAL 77 N 0.30 3.33 0.03 -1.59 1.01 -0.44 -0.18 120.40 122.87 3hdk s VAL 77 Ca 0.03 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.31 3hdk s VAL 77 Cb -0.12 -2.47 0.06 0.00 0.00 0.00 0.00 36.38 33.84 3hdk s VAL 77 CO 0.00 0.47 0.78 0.61 0.00 0.00 0.00 175.10 176.96 3hdk n GLY 78 N 4.23 0.51 3.62 4.51 0.00 -1.12 -1.33 105.19 115.62 3hdk n GLY 78 Ca -0.18 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 3hdk n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hdk s PRO 79 N -2.02 3.82 0.00 1.61 0.04 -1.26 -3.80 135.00 133.40 3hdk s PRO 79 Ca 0.18 1.11 0.02 0.00 0.04 0.00 0.00 61.00 62.35 3hdk s PRO 79 Cb -0.01 -3.91 -0.01 0.00 0.04 0.00 0.00 34.50 30.61 3hdk s PRO 79 CO 0.01 -1.24 -0.06 -0.08 0.04 0.00 0.00 177.00 175.67 3hdk s THR 80 N 4.61 0.43 0.53 1.26 -1.32 -1.26 -5.03 115.64 114.86 3hdk s THR 80 Ca 0.56 -0.38 0.18 0.00 -1.21 0.00 0.00 61.69 60.84 3hdk s THR 80 Cb -0.15 -0.40 0.30 0.00 -1.51 0.00 0.00 72.50 70.74 3hdk s THR 80 CO 0.26 0.02 2.13 1.55 -2.21 0.00 0.00 174.62 176.37 3hdk h PRO 81 N 5.73 0.00 -3.50 7.08 0.13 -2.01 -3.43 132.00 136.01 3hdk h PRO 81 Ca -0.29 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.62 3hdk h PRO 81 Cb 1.19 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.05 3hdk h PRO 81 CO 0.48 0.00 -0.62 0.08 -0.23 0.00 0.00 178.00 177.71 3hdk s VAL 82 N -5.03 -0.01 0.31 1.56 1.01 -1.26 -5.13 120.40 111.85 3hdk s VAL 82 Ca -0.05 0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 3hdk s VAL 82 Cb 0.17 -0.14 -0.10 0.00 0.00 0.00 0.00 36.38 36.31 3hdk s VAL 82 CO 0.67 0.01 1.30 0.20 0.00 0.00 0.00 175.10 177.28 3hdk s ASN 83 N 0.17 6.82 -0.09 3.32 0.01 -1.26 -4.85 114.94 119.05 3hdk s ASN 83 Ca -0.01 2.62 0.01 0.00 -0.71 0.00 0.00 52.86 54.77 3hdk s ASN 83 Cb -0.02 -2.64 0.02 0.00 0.41 0.00 0.00 41.25 39.02 3hdk s ASN 83 CO -0.00 -0.51 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.34 3hdk s ILE 84 N -0.92 1.14 -0.32 0.60 1.01 0.35 -0.16 121.20 122.91 3hdk s ILE 84 Ca 0.50 -0.42 -0.16 0.00 0.00 0.00 0.00 60.65 60.57 3hdk s ILE 84 Cb -0.39 -1.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 3hdk s ILE 84 CO 0.50 0.37 0.41 -0.63 0.00 0.00 0.00 174.94 175.58 3hdk s ILE 85 N 1.17 5.13 0.36 2.92 -1.09 0.74 -0.78 121.20 129.65 3hdk s ILE 85 Ca -0.05 0.33 0.04 0.00 -2.23 0.00 0.00 60.65 58.74 3hdk s ILE 85 Cb -0.14 -3.81 0.06 0.00 -1.58 0.00 0.00 42.46 36.99 3hdk s ILE 85 CO -0.03 -0.03 0.50 0.61 -1.23 0.00 0.00 174.94 174.77 3hdk n GLY 86 N 4.80 1.61 0.24 6.18 0.00 -1.20 -1.17 105.19 115.66 3hdk n GLY 86 Ca -0.08 -2.14 0.08 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.52 1.61 3.08 -1.01 -1.41 114.38 116.12 3hdk h ARG 87 Ca -0.17 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.90 3hdk h ARG 87 Cb 0.73 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 3hdk h ARG 87 CO 0.22 0.19 0.35 -2.95 -1.07 0.00 0.00 179.97 176.71 3hdk h ASN 88 N 0.00 0.56 0.19 7.04 -1.07 -1.75 -1.74 115.58 118.82 3hdk h ASN 88 Ca -0.00 -0.01 -0.34 0.00 0.07 0.00 0.00 56.30 56.01 3hdk h ASN 88 Cb 0.41 -0.14 -0.06 0.00 -2.07 0.00 0.00 38.32 36.46 3hdk h ASN 88 CO 0.02 0.40 -2.11 0.18 0.07 0.00 0.00 177.43 176.00 3hdk n LEU 89 N -4.46 1.12 -0.19 6.14 4.77 -0.83 -4.36 117.00 119.19 3hdk n LEU 89 Ca 0.05 0.16 0.04 0.00 -0.03 0.00 0.00 56.01 56.23 3hdk n LEU 89 Cb 0.09 -0.05 0.31 0.00 -2.33 0.00 0.00 43.42 41.43 3hdk n LEU 89 CO 0.35 0.57 1.22 -0.07 -1.33 0.00 0.00 177.39 178.14 3hdk h LEU 90 N 0.01 0.75 -1.27 2.23 3.38 -1.06 -1.49 115.31 117.87 3hdk h LEU 90 Ca -0.44 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 3hdk h LEU 90 Cb 2.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 3hdk h LEU 90 CO 0.04 0.51 -0.27 0.71 0.09 0.00 0.00 178.44 179.52 3hdk h THR 91 N 0.87 1.23 0.00 0.22 1.35 -1.53 -2.71 112.91 112.34 3hdk h THR 91 Ca 0.29 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 3hdk h THR 91 Cb 0.06 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3hdk h THR 91 CO -0.08 0.32 0.00 1.56 -0.25 0.00 0.00 175.52 177.07 3hdk h GLN 92 N 0.14 0.00 -0.39 4.72 4.20 -1.47 -2.75 115.11 119.56 3hdk h GLN 92 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3hdk h GLN 92 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 3hdk h GLN 92 CO 0.04 0.00 0.00 0.44 -0.67 0.00 0.00 178.83 178.64 3hdk n ILE 93 N -2.91 0.81 -1.37 2.54 -5.35 -1.03 -4.94 119.36 107.12 3hdk n ILE 93 Ca 0.01 -0.91 -0.00 0.00 -0.27 0.00 0.00 62.75 61.58 3hdk n ILE 93 Cb 0.31 0.65 -0.00 0.00 -1.74 0.00 0.00 39.64 38.86 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 0.89 -3.30 0.00 3.28 0.00 -1.04 -5.11 105.19 99.90 3hdk n GLY 94 Ca 0.15 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.29 0.00 -3.50 2.61 -2.24 -1.26 -5.06 114.28 105.12 3hdk n THR 96 Ca -0.02 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.38 3hdk n THR 96 Cb 0.03 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.21 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 4.46 -0.02 3.22 1.43 -1.26 -5.10 118.68 121.40 3hdk s LEU 97 Ca 0.00 0.96 0.01 0.00 -1.03 0.00 0.00 54.13 54.06 3hdk s LEU 97 Cb 0.00 -2.67 0.02 0.00 0.03 0.00 0.00 46.19 43.56 3hdk s LEU 97 CO 0.00 0.30 -0.02 0.20 0.23 0.00 0.00 176.35 177.05 3hdk s ASN 98 N -1.19 0.55 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.16 3hdk s ASN 98 Ca 0.26 -0.06 0.00 0.00 -1.57 0.00 0.00 52.86 51.48 3hdk s ASN 98 Cb -0.16 -0.23 0.00 0.00 -0.02 0.00 0.00 41.25 40.84 3hdk s ASN 98 CO 0.14 -0.04 0.00 2.22 -2.57 0.00 0.00 177.10 176.85