#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dk2 h LYS 3 N 0.00 0.34 0.00 1.43 3.64 -2.11 -3.47 116.57 116.40 1dk2 h LYS 3 Ca 0.00 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1dk2 h LYS 3 Cb 0.00 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1dk2 h LYS 3 CO 0.00 1.18 0.00 0.54 -2.27 0.00 0.00 179.45 178.90 1dk2 n ARG 4 N -3.63 0.00 -3.82 1.90 1.74 -1.26 -4.54 116.66 107.05 1dk2 n ARG 4 Ca -0.08 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.88 1dk2 n ARG 4 Cb 0.95 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 32.28 1dk2 n ARG 4 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1dk2 s LYS 5 N 0.00 0.32 0.75 5.56 2.20 -1.26 -5.15 119.74 122.16 1dk2 s LYS 5 Ca 0.00 0.07 -0.11 0.00 -0.36 0.00 0.00 55.97 55.57 1dk2 s LYS 5 Cb 0.00 0.15 0.04 0.00 -1.51 0.00 0.00 37.83 36.51 1dk2 s LYS 5 CO 0.00 -0.06 1.09 0.00 -0.36 0.00 0.00 175.35 176.02 1dk2 s ALA 6 N -0.38 2.35 0.68 3.13 0.00 -1.26 -5.06 121.76 121.22 1dk2 s ALA 6 Ca -0.05 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1dk2 s ALA 6 Cb -0.03 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1dk2 s ALA 6 CO 0.01 -1.63 0.00 -0.35 0.00 0.00 0.00 175.76 173.79 1dk2 n PRO 7 N -3.38 0.47 -2.74 0.00 -0.04 -1.26 -4.99 135.00 123.06 1dk2 n PRO 7 Ca 0.09 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.13 1dk2 n PRO 7 Cb 0.53 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 1dk2 n PRO 7 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1dk2 s GLN 8 N -2.29 3.16 -0.00 0.54 0.74 -1.26 -4.70 119.66 115.85 1dk2 s GLN 8 Ca 0.00 -0.64 0.13 0.00 0.05 0.00 0.00 55.36 54.90 1dk2 s GLN 8 Cb 0.00 -4.26 0.22 0.00 1.10 0.00 0.00 33.01 30.08 1dk2 s GLN 8 CO 0.00 -1.95 1.09 0.39 -0.55 0.00 0.00 175.29 174.27 1dk2 n GLU 9 N 8.34 0.02 -3.13 1.67 1.02 -1.26 -5.11 120.64 122.19 1dk2 n GLU 9 Ca 0.00 -1.52 -0.36 0.00 -0.02 0.00 0.00 57.16 55.26 1dk2 n GLU 9 Cb 0.47 0.23 -0.06 0.00 -0.02 0.00 0.00 31.44 32.06 1dk2 n GLU 9 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1dk2 s THR 10 N -0.03 4.61 0.03 2.62 -4.23 -1.26 -5.08 115.64 112.30 1dk2 s THR 10 Ca 0.17 1.20 -0.00 0.00 -1.18 0.00 0.00 61.69 61.88 1dk2 s THR 10 Cb 0.20 -3.82 0.01 0.00 1.34 0.00 0.00 72.50 70.23 1dk2 s THR 10 CO -0.09 0.16 0.04 0.18 -0.54 0.00 0.00 174.62 174.37 1dk2 n LEU 11 N 0.59 0.00 -2.39 4.79 4.77 -1.26 -4.35 117.00 119.15 1dk2 n LEU 11 Ca -0.02 -0.05 -0.19 0.00 -0.03 0.00 0.00 56.01 55.72 1dk2 n LEU 11 Cb 0.51 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.56 1dk2 n LEU 11 CO 0.43 -0.53 -0.25 0.59 -1.33 0.00 0.00 177.39 176.30 1dk2 n ASN 12 N -3.02 -5.55 0.07 -1.43 5.03 -1.26 -4.85 115.26 104.26 1dk2 n ASN 12 Ca 0.01 0.03 0.12 0.00 0.87 0.00 0.00 54.58 55.60 1dk2 n ASN 12 Cb 0.02 -4.64 0.07 0.00 -1.02 0.00 0.00 39.78 34.21 1dk2 n ASN 12 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1dk2 n GLY 13 N -0.97 -1.40 0.13 7.41 0.00 -1.26 -3.12 105.19 105.98 1dk2 n GLY 13 Ca -0.23 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 1dk2 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dk2 n GLY 14 N 1.27 -0.61 0.06 -0.02 0.00 -1.26 -3.50 105.19 101.14 1dk2 n GLY 14 Ca 0.01 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 1dk2 n GLY 14 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1dk2 h ILE 15 N 0.06 1.36 -0.63 -0.61 2.04 -1.97 -3.06 117.51 114.69 1dk2 h ILE 15 Ca -0.42 -1.09 0.07 0.00 1.00 0.00 0.00 64.86 64.42 1dk2 h ILE 15 Cb 2.03 2.05 -0.04 0.00 -0.74 0.00 0.00 36.82 40.12 1dk2 h ILE 15 CO 0.07 0.29 0.42 0.00 0.00 0.00 0.00 178.15 178.93 1dk2 h THR 16 N -0.39 0.99 -0.57 -0.27 1.03 -1.73 -0.14 112.91 111.82 1dk2 h THR 16 Ca 0.00 -0.21 0.01 0.00 -0.01 0.00 0.00 66.41 66.21 1dk2 h THR 16 Cb 0.48 0.33 -0.03 0.00 -1.07 0.00 0.00 68.15 67.86 1dk2 h THR 16 CO 0.00 0.11 0.38 -0.78 -0.01 0.00 0.00 175.52 175.22 1dk2 h ASP 17 N 0.60 0.64 0.57 0.00 3.58 -1.57 0.33 116.42 120.56 1dk2 h ASP 17 Ca 0.28 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.71 1dk2 h ASP 17 Cb 0.31 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1dk2 h ASP 17 CO -0.08 0.46 -0.62 0.80 -2.88 0.00 0.00 179.24 176.92 1dk2 n MET 18 N -4.45 0.11 0.01 0.28 1.56 -0.23 -2.64 117.12 111.76 1dk2 n MET 18 Ca 0.06 0.02 -0.12 0.00 -0.27 0.00 0.00 57.70 57.39 1dk2 n MET 18 Cb 0.07 -1.56 -0.14 0.00 2.15 0.00 0.00 33.22 33.74 1dk2 n MET 18 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1dk2 h LEU 19 N 0.00 0.14 0.12 -0.89 3.38 0.24 -3.09 115.31 115.22 1dk2 h LEU 19 Ca 0.00 -0.25 -0.32 0.00 0.09 0.00 0.00 57.88 57.40 1dk2 h LEU 19 Cb 0.59 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1dk2 h LEU 19 CO 0.00 1.22 -1.63 0.58 0.09 0.00 0.00 178.44 178.69 1dk2 h VAL 20 N 0.02 1.03 -0.16 1.22 2.07 -1.11 -2.28 116.25 117.05 1dk2 h VAL 20 Ca -0.26 -2.69 -0.03 0.00 0.82 0.00 0.00 66.70 64.55 1dk2 h VAL 20 Cb 1.98 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 34.46 1dk2 h VAL 20 CO 0.11 0.81 -0.02 -0.08 0.02 0.00 0.00 177.57 178.40 1dk2 h GLU 21 N 0.07 0.29 -0.07 1.57 4.22 -1.65 -2.23 114.58 116.78 1dk2 h GLU 21 Ca -0.28 -0.11 -0.19 0.00 0.08 0.00 0.00 59.36 58.86 1dk2 h GLU 21 Cb 2.03 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 31.26 1dk2 h GLU 21 CO 0.15 0.55 -0.76 1.37 -2.18 0.00 0.00 179.01 178.15 1dk2 h LEU 22 N 0.00 0.47 -0.32 1.64 8.10 -1.69 -3.01 115.31 120.51 1dk2 h LEU 22 Ca 0.04 -0.32 0.06 0.00 0.11 0.00 0.00 57.88 57.77 1dk2 h LEU 22 Cb 0.44 -0.14 -0.06 0.00 -0.44 0.00 0.00 40.66 40.46 1dk2 h LEU 22 CO 0.01 1.07 -0.07 0.00 -4.11 0.00 0.00 178.44 175.34 1dk2 h ALA 23 N 0.92 0.22 -0.26 0.17 0.00 -1.31 0.11 119.26 119.12 1dk2 h ALA 23 Ca -0.04 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1dk2 h ALA 23 Cb 1.34 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1dk2 h ALA 23 CO 0.13 -0.46 0.04 -2.95 0.00 0.00 0.00 179.25 176.01 1dk2 h ASN 24 N 0.01 0.34 0.42 0.00 -1.07 -1.42 0.31 115.58 114.17 1dk2 h ASN 24 Ca 0.15 -0.04 -0.01 0.00 0.07 0.00 0.00 56.30 56.47 1dk2 h ASN 24 Cb 0.23 -0.09 -0.00 0.00 -2.07 0.00 0.00 38.32 36.39 1dk2 h ASN 24 CO -0.32 0.37 -0.03 0.15 0.07 0.00 0.00 177.43 177.67 1dk2 h PHE 25 N 0.37 0.00 0.06 4.14 3.04 -0.68 0.40 116.94 124.27 1dk2 h PHE 25 Ca 0.09 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.03 1dk2 h PHE 25 Cb 0.19 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.70 1dk2 h PHE 25 CO 0.00 0.03 -0.03 0.93 -2.02 0.00 0.00 178.31 177.23 1dk2 h GLU 26 N 0.00 -0.08 -0.57 1.11 4.39 0.14 -2.96 114.58 116.62 1dk2 h GLU 26 Ca -0.00 0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.60 1dk2 h GLU 26 Cb 0.25 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1dk2 h GLU 26 CO 0.00 0.15 -0.07 -0.22 -1.16 0.00 0.00 179.01 177.71 1dk2 h LYS 27 N -1.01 1.04 -0.08 2.33 3.11 -1.42 -2.36 116.57 118.18 1dk2 h LYS 27 Ca -0.01 -0.36 0.02 0.00 -2.81 0.00 0.00 60.65 57.49 1dk2 h LYS 27 Cb 0.26 -0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 31.41 1dk2 h LYS 27 CO 0.01 1.06 0.08 -0.91 -2.81 0.00 0.00 179.45 176.89 1dk2 h ASN 28 N 0.93 0.00 -3.24 4.20 4.21 -0.34 -3.41 115.58 117.93 1dk2 h ASN 28 Ca 0.15 0.00 -0.47 0.00 1.21 0.00 0.00 56.30 57.19 1dk2 h ASN 28 Cb 0.64 0.00 0.04 0.00 -1.12 0.00 0.00 38.32 37.88 1dk2 h ASN 28 CO 0.04 0.00 0.05 -0.69 -1.29 0.00 0.00 177.43 175.54 1dk2 s VAL 29 N -4.73 3.87 0.00 2.81 1.01 -0.89 -5.05 120.40 117.43 1dk2 s VAL 29 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1dk2 s VAL 29 Cb 0.16 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1dk2 s VAL 29 CO 0.58 -0.43 0.15 -0.24 0.00 0.00 0.00 175.10 175.16 1dk2 n SER 30 N -2.34 0.00 -3.40 3.32 2.88 -1.26 -4.25 113.62 108.57 1dk2 n SER 30 Ca 0.03 0.57 -0.40 0.00 -1.33 0.00 0.00 58.87 57.75 1dk2 n SER 30 Cb 0.57 -0.50 -0.02 0.00 -0.75 0.00 0.00 64.21 63.52 1dk2 n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dk2 n GLN 31 N -2.00 4.09 -2.94 -1.46 1.13 -1.26 -4.51 117.38 110.43 1dk2 n GLN 31 Ca 0.00 -2.78 -0.14 0.00 -1.94 0.00 0.00 57.00 52.14 1dk2 n GLN 31 Cb 0.00 -2.74 0.02 0.00 0.11 0.00 0.00 30.24 27.63 1dk2 n GLN 31 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1dk2 n ALA 32 N 2.81 0.42 -0.05 -1.58 0.00 -1.26 -4.93 120.51 115.92 1dk2 n ALA 32 Ca 0.71 -2.33 -0.05 0.00 0.00 0.00 0.00 53.44 51.76 1dk2 n ALA 32 Cb 0.24 -1.07 -0.08 0.00 0.00 0.00 0.00 19.45 18.54 1dk2 n ALA 32 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1dk2 n ILE 33 N 0.81 0.69 -0.01 0.00 0.13 -1.26 -3.07 119.36 116.65 1dk2 n ILE 33 Ca 0.15 -0.41 -0.11 0.00 -1.10 0.00 0.00 62.75 61.28 1dk2 n ILE 33 Cb 0.64 -0.76 -0.05 0.00 -0.84 0.00 0.00 39.64 38.64 1dk2 n ILE 33 CO 0.00 0.00 0.00 1.12 2.80 0.00 0.00 176.55 180.47 1dk2 h HIS 34 N 0.00 0.15 0.00 9.51 2.07 -1.95 -1.98 115.15 122.95 1dk2 h HIS 34 Ca -0.27 -0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.18 1dk2 h HIS 34 Cb 1.60 -0.05 -0.01 0.00 2.57 0.00 0.00 27.41 31.52 1dk2 h HIS 34 CO 0.00 0.14 -0.30 1.57 -3.07 0.00 0.00 177.93 176.27 1dk2 h LYS 35 N 0.12 0.00 0.07 5.12 2.10 -1.97 -3.19 116.57 118.82 1dk2 h LYS 35 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1dk2 h LYS 35 Cb 0.03 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.34 1dk2 h LYS 35 CO -0.01 0.30 -0.24 -0.92 -2.00 0.00 0.00 179.45 176.58 1dk2 h TYR 36 N 0.00 -0.68 -0.12 0.07 3.20 -1.50 -0.32 116.97 117.61 1dk2 h TYR 36 Ca -0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.92 1dk2 h TYR 36 Cb 0.73 0.29 -0.00 0.00 1.54 0.00 0.00 36.73 39.28 1dk2 h TYR 36 CO 0.00 -0.27 0.15 -0.91 -1.64 0.00 0.00 178.16 175.48 1dk2 h ASN 37 N -0.35 0.00 0.22 -2.11 2.35 -1.60 -0.37 115.58 113.71 1dk2 h ASN 37 Ca -0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1dk2 h ASN 37 Cb 0.35 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 1dk2 h ASN 37 CO -0.12 0.00 -0.15 0.00 -1.65 0.00 0.00 177.43 175.51 1dk2 h ALA 38 N 1.82 -0.99 0.00 -0.83 0.00 -1.06 -1.46 119.26 116.75 1dk2 h ALA 38 Ca 0.06 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1dk2 h ALA 38 Cb 0.35 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1dk2 h ALA 38 CO -0.00 -0.98 -0.29 1.88 0.00 0.00 0.00 179.25 179.87 1dk2 h TYR 39 N -0.35 0.00 -0.65 0.00 -1.99 -1.27 -2.83 116.97 109.88 1dk2 h TYR 39 Ca -0.03 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.67 1dk2 h TYR 39 Cb 0.28 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.98 1dk2 h TYR 39 CO 0.02 0.29 0.30 -0.09 -0.00 0.00 0.00 178.16 178.68 1dk2 h ARG 40 N 0.00 0.95 -0.03 4.88 9.65 -0.95 0.18 114.38 129.05 1dk2 h ARG 40 Ca -0.00 -0.15 -0.14 0.00 -1.10 0.00 0.00 59.98 58.59 1dk2 h ARG 40 Cb 0.84 -0.17 0.01 0.00 -1.39 0.00 0.00 29.97 29.26 1dk2 h ARG 40 CO 0.04 0.76 -0.53 0.87 2.80 0.00 0.00 179.97 183.91 1dk2 h LYS 41 N 0.91 0.41 -0.77 0.20 1.57 -1.19 -2.80 116.57 114.90 1dk2 h LYS 41 Ca 0.22 -0.40 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1dk2 h LYS 41 Cb 0.13 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 1dk2 h LYS 41 CO -0.03 1.06 0.39 0.00 -0.57 0.00 0.00 179.45 180.30 1dk2 h ALA 42 N 0.36 0.98 0.00 3.86 0.00 -1.40 -1.77 119.26 121.30 1dk2 h ALA 42 Ca -0.06 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1dk2 h ALA 42 Cb 1.22 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1dk2 h ALA 42 CO 0.11 0.53 -0.25 0.00 0.00 0.00 0.00 179.25 179.64 1dk2 h ALA 43 N 1.20 1.54 -0.15 0.00 0.00 -0.70 0.32 119.26 121.47 1dk2 h ALA 43 Ca 0.27 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1dk2 h ALA 43 Cb 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1dk2 h ALA 43 CO -0.04 0.31 -0.52 0.77 0.00 0.00 0.00 179.25 179.77 1dk2 h SER 44 N 0.00 0.47 0.06 0.00 0.02 -1.05 -1.25 113.55 111.79 1dk2 h SER 44 Ca -0.00 -0.24 -0.30 0.00 -0.84 0.00 0.00 61.79 60.41 1dk2 h SER 44 Cb 0.45 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 1dk2 h SER 44 CO 0.03 0.90 -1.62 0.55 -1.14 0.00 0.00 176.83 175.55 1dk2 n VAL 45 N -3.96 1.65 0.19 2.27 3.14 -0.94 -3.41 118.33 117.29 1dk2 n VAL 45 Ca -0.02 -0.33 -0.13 0.00 -2.96 0.00 0.00 64.34 60.90 1dk2 n VAL 45 Cb 0.57 -1.90 -0.08 0.00 -1.06 0.00 0.00 33.84 31.38 1dk2 n VAL 45 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1dk2 h ILE 46 N -0.50 0.55 0.00 1.55 2.04 -0.48 0.83 117.51 121.51 1dk2 h ILE 46 Ca -0.39 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1dk2 h ILE 46 Cb 1.65 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1dk2 h ILE 46 CO -0.07 0.09 0.04 0.00 0.00 0.00 0.00 178.15 178.20 1dk2 h ALA 47 N -0.41 1.04 -0.09 1.87 0.00 -1.38 -1.19 119.26 119.09 1dk2 h ALA 47 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1dk2 h ALA 47 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1dk2 h ALA 47 CO 0.09 -0.04 -0.31 1.17 0.00 0.00 0.00 179.25 180.16 1dk2 n LYS 48 N -3.05 1.65 -3.37 0.00 4.81 -1.06 -4.98 118.16 112.16 1dk2 n LYS 48 Ca -0.03 -3.16 -0.38 0.00 -0.87 0.00 0.00 58.31 53.87 1dk2 n LYS 48 Cb 0.10 -1.66 -0.06 0.00 0.02 0.00 0.00 35.03 33.44 1dk2 n LYS 48 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1dk2 s TYR 49 N -3.17 3.77 -2.08 5.64 5.04 0.26 -4.92 117.35 121.89 1dk2 s TYR 49 Ca 0.39 1.15 0.13 0.00 -2.44 0.00 0.00 57.07 56.30 1dk2 s TYR 49 Cb 0.36 -2.41 0.57 0.00 0.35 0.00 0.00 41.96 40.83 1dk2 s TYR 49 CO -0.03 0.61 1.40 -0.35 -1.34 0.00 0.00 175.55 175.83 1dk2 n PRO 50 N 1.79 1.41 -4.09 4.97 -0.04 -1.26 -4.62 135.00 133.16 1dk2 n PRO 50 Ca -0.12 -0.63 -0.12 0.00 -0.04 0.00 0.00 63.50 62.60 1dk2 n PRO 50 Cb 0.51 -1.25 -0.06 0.00 -0.04 0.00 0.00 33.50 32.66 1dk2 n PRO 50 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1dk2 s HIS 51 N -1.82 0.82 -0.02 0.54 3.76 -1.26 -4.94 115.29 112.36 1dk2 s HIS 51 Ca 0.22 -1.09 -0.06 0.00 -0.15 0.00 0.00 55.06 53.98 1dk2 s HIS 51 Cb 0.11 -0.12 -0.04 0.00 1.11 0.00 0.00 32.58 33.64 1dk2 s HIS 51 CO 0.17 -0.93 0.22 -1.59 -0.85 0.00 0.00 174.74 171.76 1dk2 s LYS 52 N -3.78 3.52 -0.45 1.40 -2.85 -1.26 -4.67 119.74 111.65 1dk2 s LYS 52 Ca 0.30 -0.14 -0.29 0.00 -1.00 0.00 0.00 55.97 54.84 1dk2 s LYS 52 Cb 0.02 -3.11 0.01 0.00 -2.06 0.00 0.00 37.83 32.69 1dk2 s LYS 52 CO 0.13 0.68 1.41 0.42 0.10 0.00 0.00 175.35 178.10 1dk2 s ILE 53 N -1.25 3.87 0.02 3.79 1.01 -1.26 -4.88 121.20 122.50 1dk2 s ILE 53 Ca 0.25 0.86 -0.21 0.00 0.00 0.00 0.00 60.65 61.55 1dk2 s ILE 53 Cb -0.13 -4.26 -0.17 0.00 0.01 0.00 0.00 42.46 37.92 1dk2 s ILE 53 CO 0.14 -0.85 1.27 0.50 0.00 0.00 0.00 174.94 176.00 1dk2 h LYS 54 N 10.83 0.31 -4.86 2.79 3.64 -1.96 -3.47 116.57 123.85 1dk2 h LYS 54 Ca -0.27 -0.19 -0.39 0.00 -1.27 0.00 0.00 60.65 58.52 1dk2 h LYS 54 Cb 1.10 0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 32.80 1dk2 h LYS 54 CO 1.11 0.78 -0.57 -1.54 -2.27 0.00 0.00 179.45 176.96 1dk2 s SER 55 N -6.17 1.39 0.52 4.20 1.04 -1.26 -5.00 113.70 108.42 1dk2 s SER 55 Ca -0.14 -1.52 0.20 0.00 0.48 0.00 0.00 55.95 54.97 1dk2 s SER 55 Cb 0.04 0.35 1.37 0.00 0.10 0.00 0.00 66.02 67.88 1dk2 s SER 55 CO 0.75 -0.86 2.14 1.23 0.98 0.00 0.00 173.24 177.48 1dk2 h GLY 56 N 2.27 0.00 1.96 7.32 0.00 -1.91 -1.19 103.07 111.52 1dk2 h GLY 56 Ca -0.34 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1dk2 h GLY 56 CO 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 176.97 1dk2 h ALA 57 N 1.95 1.77 0.00 3.60 0.00 -1.95 -1.07 119.26 123.56 1dk2 h ALA 57 Ca -0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1dk2 h ALA 57 Cb 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1dk2 h ALA 57 CO 0.01 0.18 -0.30 1.49 0.00 0.00 0.00 179.25 180.62 1dk2 h GLU 58 N 0.05 0.00 0.00 0.00 4.81 -1.61 -2.47 114.58 115.36 1dk2 h GLU 58 Ca 0.01 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.01 1dk2 h GLU 58 Cb 0.21 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1dk2 h GLU 58 CO 0.01 0.30 -1.32 0.00 -0.73 0.00 0.00 179.01 177.28 1dk2 h ALA 59 N 1.70 0.59 0.02 2.92 0.00 -1.25 -3.32 119.26 119.91 1dk2 h ALA 59 Ca -0.00 -1.12 -0.26 0.00 0.00 0.00 0.00 54.91 53.52 1dk2 h ALA 59 Cb 0.95 0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.93 1dk2 h ALA 59 CO 0.04 1.33 -1.05 -0.22 0.00 0.00 0.00 179.25 179.35 1dk2 h LYS 60 N 0.00 0.61 0.00 0.00 3.64 -1.26 -3.12 116.57 116.44 1dk2 h LYS 60 Ca -0.14 -0.69 -0.00 0.00 -1.27 0.00 0.00 60.65 58.55 1dk2 h LYS 60 Cb 1.84 0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 33.86 1dk2 h LYS 60 CO 0.10 1.28 -0.01 1.57 -2.27 0.00 0.00 179.45 180.12 1dk2 h LYS 61 N 0.34 0.00 -6.96 1.90 2.10 -1.57 -3.43 116.57 108.94 1dk2 h LYS 61 Ca -0.13 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 57.99 1dk2 h LYS 61 Cb 1.70 0.00 0.11 0.00 -0.90 0.00 0.00 32.23 33.14 1dk2 h LYS 61 CO 0.20 0.01 0.74 -0.51 -2.00 0.00 0.00 179.45 177.88 1dk2 s LEU 62 N -7.21 4.23 -0.53 7.07 1.43 -1.18 -4.92 118.68 117.57 1dk2 s LEU 62 Ca -0.05 2.97 -0.29 0.00 -1.03 0.00 0.00 54.13 55.74 1dk2 s LEU 62 Cb 0.14 -3.79 0.03 0.00 0.03 0.00 0.00 46.19 42.60 1dk2 s LEU 62 CO 0.51 -0.99 1.19 -2.16 0.23 0.00 0.00 176.35 175.13 1dk2 s PRO 63 N -2.24 3.59 0.00 1.29 0.04 -1.26 -3.27 135.00 133.15 1dk2 s PRO 63 Ca 0.56 0.43 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1dk2 s PRO 63 Cb -0.45 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.12 1dk2 s PRO 63 CO 0.59 -1.57 0.00 0.41 0.04 0.00 0.00 177.00 176.48 1dk2 n GLY 64 N 4.99 1.07 3.80 0.56 0.00 -1.26 -4.89 105.19 109.45 1dk2 n GLY 64 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1dk2 n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dk2 s VAL 65 N -0.51 4.84 0.00 1.61 1.01 -1.20 -4.51 120.40 121.63 1dk2 s VAL 65 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.15 1dk2 s VAL 65 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1dk2 s VAL 65 CO 0.00 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1dk2 n GLY 66 N 1.98 2.78 0.07 4.51 0.00 -1.26 -4.87 105.19 108.40 1dk2 n GLY 66 Ca -0.10 -1.24 -0.03 0.00 0.00 0.00 0.00 46.02 44.65 1dk2 n GLY 66 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1dk2 n THR 67 N 0.00 0.97 0.13 2.61 5.66 -1.26 -3.52 114.28 118.87 1dk2 n THR 67 Ca 0.00 -0.74 -0.05 0.00 -3.05 0.00 0.00 64.05 60.21 1dk2 n THR 67 Cb 0.00 -0.36 -0.03 0.00 -1.55 0.00 0.00 70.33 68.39 1dk2 n THR 67 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1dk2 h LYS 68 N 0.00 -0.34 -0.45 1.09 1.63 -1.99 -1.47 116.57 115.04 1dk2 h LYS 68 Ca -0.35 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.47 1dk2 h LYS 68 Cb 1.82 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 33.50 1dk2 h LYS 68 CO 0.02 -0.23 0.25 0.82 -3.45 0.00 0.00 179.45 176.87 1dk2 h ILE 69 N -0.61 1.16 -0.56 2.00 1.08 -1.91 -2.18 117.51 116.50 1dk2 h ILE 69 Ca -0.04 -0.39 0.06 0.00 -0.39 0.00 0.00 64.86 64.10 1dk2 h ILE 69 Cb 0.27 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 1dk2 h ILE 69 CO 0.06 0.16 0.37 0.00 -0.69 0.00 0.00 178.15 178.05 1dk2 h ALA 70 N 1.10 1.88 -0.61 1.87 0.00 -1.67 -1.30 119.26 120.54 1dk2 h ALA 70 Ca 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1dk2 h ALA 70 Cb 0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1dk2 h ALA 70 CO -0.03 0.02 0.37 0.93 0.00 0.00 0.00 179.25 180.54 1dk2 h GLU 71 N 0.50 0.83 0.00 0.00 4.39 -0.60 -1.38 114.58 118.32 1dk2 h GLU 71 Ca 0.24 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 1dk2 h GLU 71 Cb 0.32 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1dk2 h GLU 71 CO -0.07 0.60 -0.17 0.87 -1.16 0.00 0.00 179.01 179.09 1dk2 h LYS 72 N 0.83 0.00 -0.29 2.33 1.79 -1.12 -2.49 116.57 117.62 1dk2 h LYS 72 Ca 0.22 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.67 1dk2 h LYS 72 Cb -0.01 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 1dk2 h LYS 72 CO -0.04 0.17 0.12 0.82 -1.08 0.00 0.00 179.45 179.43 1dk2 h ILE 73 N 0.00 1.18 -0.95 1.86 1.08 -0.91 -2.43 117.51 117.34 1dk2 h ILE 73 Ca -0.00 -0.53 0.09 0.00 -0.39 0.00 0.00 64.86 64.03 1dk2 h ILE 73 Cb 0.30 0.99 -0.08 0.00 -3.07 0.00 0.00 36.82 34.96 1dk2 h ILE 73 CO 0.02 0.18 0.59 -0.78 -0.69 0.00 0.00 178.15 177.48 1dk2 h ASP 74 N 0.32 0.89 0.20 1.72 3.58 -1.17 0.23 116.42 122.19 1dk2 h ASP 74 Ca 0.10 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 1dk2 h ASP 74 Cb 0.18 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 1dk2 h ASP 74 CO -0.01 0.52 -0.16 -0.08 -2.88 0.00 0.00 179.24 176.63 1dk2 h GLU 75 N 1.00 0.00 0.11 0.28 4.81 -1.36 0.44 114.58 119.85 1dk2 h GLU 75 Ca 0.45 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.67 1dk2 h GLU 75 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1dk2 h GLU 75 CO -0.23 0.16 -0.05 0.74 -0.73 0.00 0.00 179.01 178.90 1dk2 h PHE 76 N 0.00 -0.14 0.00 0.92 -1.00 -0.12 -3.11 116.94 113.49 1dk2 h PHE 76 Ca -0.00 -0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 1dk2 h PHE 76 Cb 0.30 0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 1dk2 h PHE 76 CO 0.00 0.33 -0.36 -0.07 -1.61 0.00 0.00 178.31 176.60 1dk2 h LEU 77 N -0.68 0.00 0.00 1.54 -0.00 -1.07 -3.09 115.31 112.00 1dk2 h LEU 77 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1dk2 h LEU 77 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 1dk2 h LEU 77 CO 0.02 0.36 0.00 0.00 -0.00 0.00 0.00 178.44 178.82 1dk2 n ALA 78 N -2.28 -0.04 -0.06 1.53 0.00 0.15 -4.77 120.51 115.04 1dk2 n ALA 78 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1dk2 n ALA 78 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 1dk2 n ALA 78 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1dk2 n THR 79 N -0.65 1.38 -0.28 0.00 -2.24 -1.19 -5.05 114.28 106.25 1dk2 n THR 79 Ca 0.00 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1dk2 n THR 79 Cb 0.00 -2.09 0.00 0.00 -2.10 0.00 0.00 70.33 66.14 1dk2 n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dk2 n GLY 80 N 1.94 1.21 3.91 3.38 0.00 -1.17 -5.03 105.19 109.43 1dk2 n GLY 80 Ca -0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.76 1dk2 n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dk2 s LYS 81 N -0.79 1.12 -1.23 1.61 2.20 -1.26 -5.06 119.74 116.34 1dk2 s LYS 81 Ca 0.00 -0.73 -0.09 0.00 -0.36 0.00 0.00 55.97 54.80 1dk2 s LYS 81 Cb 0.00 0.31 0.20 0.00 -1.51 0.00 0.00 37.83 36.83 1dk2 s LYS 81 CO 0.00 -0.53 1.73 1.28 -0.36 0.00 0.00 175.35 177.48 1dk2 n LEU 82 N -0.75 6.45 -4.32 5.43 4.77 -1.26 -4.93 117.00 122.39 1dk2 n LEU 82 Ca -0.01 -4.77 -0.46 0.00 -0.03 0.00 0.00 56.01 50.74 1dk2 n LEU 82 Cb 0.59 -1.44 -0.05 0.00 -2.33 0.00 0.00 43.42 40.18 1dk2 n LEU 82 CO 0.20 1.39 0.13 -0.60 -1.33 0.00 0.00 177.39 177.18 1dk2 s ARG 83 N -0.27 2.98 -0.41 3.23 6.06 -1.26 -4.95 118.95 124.33 1dk2 s ARG 83 Ca 0.38 -1.67 0.05 0.00 -2.50 0.00 0.00 55.73 52.00 1dk2 s ARG 83 Cb 0.07 -4.28 0.20 0.00 0.06 0.00 0.00 34.95 31.00 1dk2 s ARG 83 CO 0.02 -1.29 0.41 0.36 -2.50 0.00 0.00 175.30 172.31 1dk2 n LYS 84 N 5.24 0.44 -1.31 5.12 2.85 -1.26 -5.12 118.16 124.12 1dk2 n LYS 84 Ca -0.14 -3.24 -0.31 0.00 -1.05 0.00 0.00 58.31 53.57 1dk2 n LYS 84 Cb 0.40 -1.53 0.10 0.00 -0.65 0.00 0.00 35.03 33.35 1dk2 n LYS 84 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1dk2 s LEU 85 N -0.45 2.84 -0.17 -5.58 2.01 -1.26 -4.99 118.68 111.09 1dk2 s LEU 85 Ca 0.34 1.68 0.22 0.00 0.01 0.00 0.00 54.13 56.37 1dk2 s LEU 85 Cb 0.08 -4.34 0.47 0.00 0.01 0.00 0.00 46.19 42.42 1dk2 s LEU 85 CO -0.17 -2.09 1.15 -1.84 1.01 0.00 0.00 176.35 174.42 1dk2 n GLU 86 N -3.54 1.30 0.00 1.70 0.28 -1.26 -5.34 120.64 113.78 1dk2 n GLU 86 Ca 0.08 -3.03 0.00 0.00 -0.16 0.00 0.00 57.16 54.05 1dk2 n GLU 86 Cb 0.54 -1.11 0.00 0.00 1.43 0.00 0.00 31.44 32.30 1dk2 n GLU 86 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14