#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dk2 s LYS 3 N 0.00 1.51 0.00 4.33 0.00 -1.26 -4.97 119.74 119.35 1dk2 s LYS 3 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 55.97 54.74 1dk2 s LYS 3 Cb 0.00 0.46 0.00 0.00 0.00 0.00 0.00 37.83 38.29 1dk2 s LYS 3 CO 0.00 -0.62 0.00 -2.13 0.00 0.00 0.00 175.35 172.60 1dk2 n ARG 4 N -0.37 0.00 -4.42 1.78 0.63 -1.26 -4.69 116.66 108.33 1dk2 n ARG 4 Ca -0.02 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.57 1dk2 n ARG 4 Cb 0.62 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.40 1dk2 n ARG 4 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1dk2 s LYS 5 N 0.00 3.59 0.46 -0.14 2.47 -1.26 -5.11 119.74 119.75 1dk2 s LYS 5 Ca 0.00 -0.56 -0.04 0.00 -1.56 0.00 0.00 55.97 53.81 1dk2 s LYS 5 Cb 0.00 -2.87 -0.03 0.00 -1.46 0.00 0.00 37.83 33.46 1dk2 s LYS 5 CO 0.00 0.19 0.75 0.00 0.16 0.00 0.00 175.35 176.44 1dk2 s ALA 6 N 0.49 3.46 -0.56 3.13 0.00 -1.26 -4.98 121.76 122.04 1dk2 s ALA 6 Ca -0.04 -0.60 -0.05 0.00 0.00 0.00 0.00 51.96 51.26 1dk2 s ALA 6 Cb -0.15 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 1dk2 s ALA 6 CO 0.03 -0.32 2.99 -0.35 0.00 0.00 0.00 175.76 178.11 1dk2 n PRO 7 N -2.19 2.74 -0.50 0.00 -0.04 -1.26 -4.60 135.00 129.15 1dk2 n PRO 7 Ca -0.00 -2.11 0.04 0.00 -0.04 0.00 0.00 63.50 61.39 1dk2 n PRO 7 Cb 0.55 -2.24 0.23 0.00 -0.04 0.00 0.00 33.50 32.00 1dk2 n PRO 7 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1dk2 n GLN 8 N 1.73 3.17 -3.53 0.54 1.13 -1.26 -4.88 117.38 114.28 1dk2 n GLN 8 Ca 0.52 -1.76 -0.16 0.00 -1.94 0.00 0.00 57.00 53.66 1dk2 n GLN 8 Cb 0.58 -1.93 -0.05 0.00 0.11 0.00 0.00 30.24 28.95 1dk2 n GLN 8 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1dk2 s GLU 9 N -1.98 1.07 -0.38 -1.09 2.02 -1.26 -5.05 118.70 112.02 1dk2 s GLU 9 Ca 0.30 0.01 0.06 0.00 0.02 0.00 0.00 54.97 55.36 1dk2 s GLU 9 Cb 0.23 0.50 0.48 0.00 0.10 0.00 0.00 34.13 35.44 1dk2 s GLU 9 CO 0.09 -0.37 1.49 -2.37 0.02 0.00 0.00 175.26 174.12 1dk2 n THR 10 N 0.62 2.80 -0.70 3.63 5.66 -1.26 -4.99 114.28 120.03 1dk2 n THR 10 Ca -0.19 -3.36 0.00 0.00 -3.05 0.00 0.00 64.05 57.45 1dk2 n THR 10 Cb 0.59 -0.83 0.00 0.00 -1.55 0.00 0.00 70.33 68.54 1dk2 n THR 10 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1dk2 n LEU 11 N -0.92 0.00 -4.30 1.09 7.99 -1.26 -4.81 117.00 114.79 1dk2 n LEU 11 Ca 0.44 0.00 -0.33 0.00 -0.01 0.00 0.00 56.01 56.12 1dk2 n LEU 11 Cb 0.93 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 44.18 1dk2 n LEU 11 CO 0.41 -0.62 1.69 0.59 -1.51 0.00 0.00 177.39 177.95 1dk2 n ASN 12 N -2.62 2.94 -0.51 -1.43 3.02 -1.26 -4.62 115.26 110.78 1dk2 n ASN 12 Ca 0.00 -2.70 0.13 0.00 -0.03 0.00 0.00 54.58 51.99 1dk2 n ASN 12 Cb 0.00 -1.55 0.48 0.00 -0.61 0.00 0.00 39.78 38.09 1dk2 n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dk2 n GLY 13 N 5.42 0.11 0.11 7.41 0.00 -1.26 -3.71 105.19 113.26 1dk2 n GLY 13 Ca 0.46 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 1.17 -0.76 0.15 -0.02 0.00 -1.26 -3.18 105.19 101.29 1dk2 n GLY 14 Ca 0.18 -0.18 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.04 0.39 -0.43 -0.61 2.04 -1.96 -3.14 117.51 113.83 1dk2 h ILE 15 Ca -0.37 -0.98 0.11 0.00 1.00 0.00 0.00 64.86 64.62 1dk2 h ILE 15 Cb 2.03 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 1dk2 h ILE 15 CO 0.08 0.11 0.31 0.00 0.00 0.00 0.00 178.15 178.64 1dk2 h THR 16 N -1.01 0.83 -0.22 -0.27 1.03 -1.77 0.18 112.91 111.68 1dk2 h THR 16 Ca -0.03 -0.03 -0.04 0.00 -0.01 0.00 0.00 66.41 66.30 1dk2 h THR 16 Cb 0.39 0.73 -0.01 0.00 -1.07 0.00 0.00 68.15 68.18 1dk2 h THR 16 CO 0.05 0.02 -0.05 0.44 -0.01 0.00 0.00 175.52 175.97 1dk2 h ASP 17 N 0.09 0.30 1.00 0.00 5.19 -1.58 0.34 116.42 121.76 1dk2 h ASP 17 Ca 0.20 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1dk2 h ASP 17 Cb 0.69 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.12 1dk2 h ASP 17 CO -0.02 0.40 -0.77 0.24 -3.12 0.00 0.00 179.24 175.96 1dk2 h MET 18 N 0.32 0.00 0.09 3.56 2.86 -0.66 -2.74 114.93 118.35 1dk2 h MET 18 Ca 0.07 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.39 1dk2 h MET 18 Cb 0.29 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1dk2 h MET 18 CO 0.01 0.00 -1.69 -0.07 1.06 0.00 0.00 176.91 176.22 1dk2 h LEU 19 N 0.00 0.29 -0.12 1.22 3.38 -0.34 -3.10 115.31 116.64 1dk2 h LEU 19 Ca 0.00 -0.51 -0.21 0.00 0.09 0.00 0.00 57.88 57.26 1dk2 h LEU 19 Cb 0.88 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1dk2 h LEU 19 CO 0.00 1.44 -0.96 0.58 0.09 0.00 0.00 178.44 179.59 1dk2 h VAL 20 N 0.05 1.64 0.50 1.22 2.07 -0.48 -1.79 116.25 119.46 1dk2 h VAL 20 Ca -0.30 -3.14 -0.02 0.00 0.82 0.00 0.00 66.70 64.06 1dk2 h VAL 20 Cb 2.02 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 34.52 1dk2 h VAL 20 CO 0.12 0.90 -0.24 -0.08 0.02 0.00 0.00 177.57 178.29 1dk2 h GLU 21 N 0.02 -0.64 -0.30 1.57 4.81 -1.60 -2.95 114.58 115.48 1dk2 h GLU 21 Ca -0.03 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1dk2 h GLU 21 Cb 1.68 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 31.19 1dk2 h GLU 21 CO 0.13 -0.42 0.02 1.37 -0.73 0.00 0.00 179.01 179.38 1dk2 h LEU 22 N -1.17 0.42 -0.91 1.64 8.10 -1.67 -2.36 115.31 119.35 1dk2 h LEU 22 Ca -0.07 -0.07 0.16 0.00 0.11 0.00 0.00 57.88 58.01 1dk2 h LEU 22 Cb 0.53 -0.11 -0.10 0.00 -0.44 0.00 0.00 40.66 40.54 1dk2 h LEU 22 CO 0.11 0.47 0.51 0.00 -4.11 0.00 0.00 178.44 175.42 1dk2 h ALA 23 N 1.59 1.42 -0.53 0.17 0.00 -1.33 0.44 119.26 121.02 1dk2 h ALA 23 Ca 0.10 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1dk2 h ALA 23 Cb 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1dk2 h ALA 23 CO 0.01 -0.04 0.05 -0.91 0.00 0.00 0.00 179.25 178.35 1dk2 h ASN 24 N 0.71 0.82 0.28 0.00 -0.26 -1.24 -1.10 115.58 114.79 1dk2 h ASN 24 Ca 0.50 -0.19 -0.01 0.00 -0.56 0.00 0.00 56.30 56.04 1dk2 h ASN 24 Cb 0.71 -0.22 -0.00 0.00 -1.06 0.00 0.00 38.32 37.75 1dk2 h ASN 24 CO -0.36 0.85 -0.07 0.15 -1.06 0.00 0.00 177.43 176.94 1dk2 h PHE 25 N 0.81 0.00 0.21 1.19 3.04 -0.10 0.39 116.94 122.48 1dk2 h PHE 25 Ca 0.16 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.10 1dk2 h PHE 25 Cb 0.42 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.93 1dk2 h PHE 25 CO 0.02 0.07 -0.10 0.93 -2.02 0.00 0.00 178.31 177.21 1dk2 h GLU 26 N 0.00 -0.27 -0.71 1.11 3.07 0.13 -2.83 114.58 115.08 1dk2 h GLU 26 Ca -0.00 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1dk2 h GLU 26 Cb 0.23 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 1dk2 h GLU 26 CO 0.01 -0.18 0.36 -0.22 -1.40 0.00 0.00 179.01 177.57 1dk2 h LYS 27 N -0.78 1.01 -0.09 2.33 3.64 -1.41 -1.47 116.57 119.80 1dk2 h LYS 27 Ca -0.03 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.24 1dk2 h LYS 27 Cb 0.22 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1dk2 h LYS 27 CO 0.05 0.78 0.13 -0.91 -2.27 0.00 0.00 179.45 177.23 1dk2 h ASN 28 N 0.98 0.00 -3.17 4.20 2.35 -0.34 -3.41 115.58 116.19 1dk2 h ASN 28 Ca 0.24 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.53 1dk2 h ASN 28 Cb 0.09 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.50 1dk2 h ASN 28 CO -0.03 0.00 0.04 -0.69 -1.65 0.00 0.00 177.43 175.10 1dk2 s VAL 29 N -4.49 3.71 0.00 2.81 1.01 -0.55 -5.05 120.40 117.84 1dk2 s VAL 29 Ca -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1dk2 s VAL 29 Cb 0.14 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1dk2 s VAL 29 CO 0.49 -0.37 0.20 -0.24 0.00 0.00 0.00 175.10 175.19 1dk2 n SER 30 N -2.35 0.00 -3.76 3.32 2.88 -1.26 -4.33 113.62 108.12 1dk2 n SER 30 Ca 0.03 0.59 -0.42 0.00 -1.33 0.00 0.00 58.87 57.74 1dk2 n SER 30 Cb 0.58 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1dk2 n SER 30 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1dk2 n GLN 31 N -1.96 3.77 -2.59 -1.46 -0.06 -1.26 -4.41 117.38 109.42 1dk2 n GLN 31 Ca 0.00 -3.41 -0.01 0.00 -2.00 0.00 0.00 57.00 51.58 1dk2 n GLN 31 Cb 0.00 -2.88 0.08 0.00 -4.06 0.00 0.00 30.24 23.38 1dk2 n GLN 31 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1dk2 n ALA 32 N 3.56 2.80 0.05 1.69 0.00 -1.26 -4.91 120.51 122.44 1dk2 n ALA 32 Ca 0.46 -1.74 0.00 0.00 0.00 0.00 0.00 53.44 52.16 1dk2 n ALA 32 Cb 0.34 -0.81 -0.07 0.00 0.00 0.00 0.00 19.45 18.91 1dk2 n ALA 32 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1dk2 h ILE 33 N 4.84 0.54 0.09 0.00 6.09 -1.78 -2.95 117.51 124.34 1dk2 h ILE 33 Ca -0.32 -2.01 -0.00 0.00 -1.37 0.00 0.00 64.86 61.15 1dk2 h ILE 33 Cb 1.32 2.08 0.00 0.00 0.47 0.00 0.00 36.82 40.69 1dk2 h ILE 33 CO -0.03 0.31 -0.04 1.12 -3.07 0.00 0.00 178.15 176.43 1dk2 h HIS 34 N 0.00 -0.12 0.00 2.19 2.07 -1.96 -2.91 115.15 114.42 1dk2 h HIS 34 Ca -0.14 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.38 1dk2 h HIS 34 Cb 1.55 0.04 0.00 0.00 2.57 0.00 0.00 27.41 31.57 1dk2 h HIS 34 CO 0.00 0.34 0.00 1.57 -3.07 0.00 0.00 177.93 176.77 1dk2 h LYS 35 N -0.62 0.00 0.53 5.12 -0.00 -1.95 -3.15 116.57 116.49 1dk2 h LYS 35 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.62 1dk2 h LYS 35 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.72 1dk2 h LYS 35 CO 0.02 0.00 -0.40 -0.92 -0.00 0.00 0.00 179.45 178.16 1dk2 h TYR 36 N 0.00 -1.06 0.00 0.07 3.20 -1.33 -1.33 116.97 116.52 1dk2 h TYR 36 Ca 0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1dk2 h TYR 36 Cb 0.48 0.39 -0.00 0.00 1.54 0.00 0.00 36.73 39.15 1dk2 h TYR 36 CO 0.00 -0.57 -0.01 -0.97 -1.64 0.00 0.00 178.16 174.96 1dk2 h ASN 37 N -0.90 0.00 0.21 -2.11 -0.73 -1.51 -1.06 115.58 109.48 1dk2 h ASN 37 Ca -0.06 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.11 1dk2 h ASN 37 Cb 0.76 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.33 1dk2 h ASN 37 CO 0.01 0.01 -0.27 0.00 -0.37 0.00 0.00 177.43 176.82 1dk2 h ALA 38 N 1.99 -0.92 0.00 1.57 0.00 -1.23 0.09 119.26 120.76 1dk2 h ALA 38 Ca -0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1dk2 h ALA 38 Cb 0.03 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1dk2 h ALA 38 CO 0.00 -0.95 -0.38 1.88 0.00 0.00 0.00 179.25 179.80 1dk2 h TYR 39 N -0.50 0.00 -0.18 0.00 -1.99 -1.39 -2.69 116.97 110.22 1dk2 h TYR 39 Ca -0.03 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.69 1dk2 h TYR 39 Cb 0.45 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.17 1dk2 h TYR 39 CO -0.22 0.38 0.07 -0.09 -0.00 0.00 0.00 178.16 178.30 1dk2 h ARG 40 N 0.00 0.27 -0.00 4.88 9.65 -0.94 0.39 114.38 128.63 1dk2 h ARG 40 Ca -0.00 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1dk2 h ARG 40 Cb 0.99 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.53 1dk2 h ARG 40 CO 0.05 0.35 -0.00 -0.22 2.80 0.00 0.00 179.97 182.95 1dk2 h LYS 41 N 0.13 0.01 0.00 0.20 3.64 -0.97 -2.74 116.57 116.83 1dk2 h LYS 41 Ca 0.06 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1dk2 h LYS 41 Cb 0.19 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1dk2 h LYS 41 CO -0.00 0.47 -0.07 0.00 -2.27 0.00 0.00 179.45 177.58 1dk2 h ALA 42 N 0.53 1.62 0.00 5.00 0.00 -1.43 -1.14 119.26 123.83 1dk2 h ALA 42 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1dk2 h ALA 42 Cb 0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1dk2 h ALA 42 CO 0.00 0.09 -0.52 0.00 0.00 0.00 0.00 179.25 178.82 1dk2 h ALA 43 N 1.93 0.96 0.07 0.00 0.00 -0.05 -2.19 119.26 119.98 1dk2 h ALA 43 Ca -0.00 -0.47 -0.20 0.00 0.00 0.00 0.00 54.91 54.24 1dk2 h ALA 43 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1dk2 h ALA 43 CO 0.01 0.65 -1.00 0.66 0.00 0.00 0.00 179.25 179.57 1dk2 h SER 44 N 0.00 0.22 -0.32 0.00 4.64 -0.94 -1.95 113.55 115.20 1dk2 h SER 44 Ca -0.01 -0.82 -0.05 0.00 -0.47 0.00 0.00 61.79 60.44 1dk2 h SER 44 Cb 1.04 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.03 1dk2 h SER 44 CO 0.07 1.43 0.03 1.62 -0.87 0.00 0.00 176.83 179.10 1dk2 h VAL 45 N -0.62 1.21 0.14 0.95 3.04 -1.39 0.82 116.25 120.41 1dk2 h VAL 45 Ca -0.23 -0.84 -0.32 0.00 -1.01 0.00 0.00 66.70 64.30 1dk2 h VAL 45 Cb 1.48 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 1dk2 h VAL 45 CO -0.00 0.30 -1.58 0.40 -1.01 0.00 0.00 177.57 175.67 1dk2 h ILE 46 N 0.62 1.11 0.00 3.17 2.04 -1.53 -3.13 117.51 119.79 1dk2 h ILE 46 Ca 0.13 -2.72 0.00 0.00 1.00 0.00 0.00 64.86 63.27 1dk2 h ILE 46 Cb 0.35 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.21 1dk2 h ILE 46 CO 0.01 0.83 -0.26 0.00 0.00 0.00 0.00 178.15 178.73 1dk2 h ALA 47 N 0.38 0.87 -0.49 1.87 0.00 -1.23 -3.25 119.26 117.40 1dk2 h ALA 47 Ca -0.27 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1dk2 h ALA 47 Cb 2.05 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.80 1dk2 h ALA 47 CO 0.17 0.00 0.06 1.17 0.00 0.00 0.00 179.25 180.65 1dk2 n LYS 48 N -2.99 3.78 -3.55 0.00 4.81 0.28 -4.96 118.16 115.53 1dk2 n LYS 48 Ca 0.03 -3.04 -0.37 0.00 -0.87 0.00 0.00 58.31 54.05 1dk2 n LYS 48 Cb 0.54 -2.09 -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 -2.88 3.69 -2.00 5.64 5.04 -1.18 -4.95 117.35 120.72 1dk2 s TYR 49 Ca 0.50 0.92 0.07 0.00 -2.44 0.00 0.00 57.07 56.12 1dk2 s TYR 49 Cb 0.40 -2.24 0.21 0.00 0.35 0.00 0.00 41.96 40.69 1dk2 s TYR 49 CO 0.12 0.63 1.18 -0.35 -1.34 0.00 0.00 175.55 175.79 1dk2 n PRO 50 N 1.69 1.55 -3.28 4.97 -0.04 -1.26 -4.89 135.00 133.74 1dk2 n PRO 50 Ca -0.14 -0.85 -0.11 0.00 -0.04 0.00 0.00 63.50 62.37 1dk2 n PRO 50 Cb 0.53 -1.18 -0.03 0.00 -0.04 0.00 0.00 33.50 32.77 1dk2 n PRO 50 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1dk2 n HIS 51 N 0.19 -1.04 -3.87 0.54 8.25 -1.26 -5.13 115.22 112.91 1dk2 n HIS 51 Ca 0.08 -1.67 -0.21 0.00 -0.26 0.00 0.00 57.72 55.66 1dk2 n HIS 51 Cb 0.20 0.35 -0.03 0.00 1.12 0.00 0.00 29.99 31.63 1dk2 n HIS 51 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1dk2 s LYS 52 N -2.61 2.99 -0.00 -0.41 1.02 -1.26 -4.73 119.74 114.74 1dk2 s LYS 52 Ca 0.21 -1.07 0.01 0.00 0.02 0.00 0.00 55.97 55.14 1dk2 s LYS 52 Cb -0.00 -2.65 -0.04 0.00 -0.52 0.00 0.00 37.83 34.63 1dk2 s LYS 52 CO 0.15 0.24 0.01 0.42 -0.92 0.00 0.00 175.35 175.25 1dk2 s ILE 53 N -2.17 4.21 -0.09 2.17 1.01 -1.26 -5.05 121.20 120.02 1dk2 s ILE 53 Ca 0.38 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 1dk2 s ILE 53 Cb -0.08 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 1dk2 s ILE 53 CO 0.27 0.37 -0.13 1.17 0.00 0.00 0.00 174.94 176.63 1dk2 n LYS 54 N 1.38 0.29 -4.64 2.79 4.81 -1.26 -5.04 118.16 116.48 1dk2 n LYS 54 Ca -0.14 0.38 -0.30 0.00 -0.87 0.00 0.00 58.31 57.37 1dk2 n LYS 54 Cb 0.53 -1.30 -0.07 0.00 0.02 0.00 0.00 35.03 34.20 1dk2 n LYS 54 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1dk2 n SER 55 N -3.74 2.53 0.25 3.14 3.41 -1.26 -4.89 113.62 113.06 1dk2 n SER 55 Ca -0.05 -3.27 0.07 0.00 -0.26 0.00 0.00 58.87 55.36 1dk2 n SER 55 Cb 0.19 0.66 0.60 0.00 -0.26 0.00 0.00 64.21 65.40 1dk2 n SER 55 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1dk2 h GLY 56 N 1.43 0.00 1.96 5.00 0.00 -1.85 -1.03 103.07 108.58 1dk2 h GLY 56 Ca -0.39 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1dk2 h GLY 56 CO 0.64 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 177.10 1dk2 h ALA 57 N 1.94 1.81 0.00 3.60 0.00 -1.95 0.13 119.26 124.79 1dk2 h ALA 57 Ca -0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1dk2 h ALA 57 Cb 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1dk2 h ALA 57 CO 0.01 0.15 -0.67 0.93 0.00 0.00 0.00 179.25 179.67 1dk2 h GLU 58 N 0.05 0.00 0.08 0.00 5.08 -1.58 -2.77 114.58 115.43 1dk2 h GLU 58 Ca 0.01 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.09 1dk2 h GLU 58 Cb 0.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1dk2 h GLU 58 CO 0.01 0.54 -1.42 0.00 -1.00 0.00 0.00 179.01 177.14 1dk2 h ALA 59 N 1.43 0.35 -0.05 3.43 0.00 -1.05 -3.32 119.26 120.04 1dk2 h ALA 59 Ca -0.02 -1.10 -0.23 0.00 0.00 0.00 0.00 54.91 53.55 1dk2 h ALA 59 Cb 1.46 0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.45 1dk2 h ALA 59 CO 0.07 1.22 -0.90 -0.22 0.00 0.00 0.00 179.25 179.42 1dk2 h LYS 60 N 0.04 0.61 -0.02 0.00 3.64 -0.86 -3.11 116.57 116.87 1dk2 h LYS 60 Ca -0.19 -0.58 0.01 0.00 -1.27 0.00 0.00 60.65 58.61 1dk2 h LYS 60 Cb 1.96 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 33.93 1dk2 h LYS 60 CO 0.15 1.20 0.02 1.57 -2.27 0.00 0.00 179.45 180.11 1dk2 h LYS 61 N 0.38 0.00 -7.13 1.90 2.10 -1.61 -3.43 116.57 108.78 1dk2 h LYS 61 Ca -0.08 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 58.07 1dk2 h LYS 61 Cb 1.53 0.00 0.08 0.00 -0.90 0.00 0.00 32.23 32.93 1dk2 h LYS 61 CO 0.17 0.00 0.40 -0.51 -2.00 0.00 0.00 179.45 177.51 1dk2 s LEU 62 N -7.77 3.63 -0.64 7.07 1.43 -1.18 -4.95 118.68 116.28 1dk2 s LEU 62 Ca -0.05 2.06 -0.28 0.00 -1.03 0.00 0.00 54.13 54.83 1dk2 s LEU 62 Cb 0.15 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.83 1dk2 s LEU 62 CO 0.56 -1.29 1.35 -2.16 0.23 0.00 0.00 176.35 175.04 1dk2 s PRO 63 N -3.61 3.25 0.00 1.29 0.04 -1.26 -3.30 135.00 131.41 1dk2 s PRO 63 Ca 0.69 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.90 1dk2 s PRO 63 Cb -0.21 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1dk2 s PRO 63 CO 0.32 -2.03 0.00 0.41 0.04 0.00 0.00 177.00 175.74 1dk2 n GLY 64 N 5.30 1.46 3.82 0.56 0.00 -1.26 -4.66 105.19 110.40 1dk2 n GLY 64 Ca 0.09 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 4.79 0.00 1.61 1.01 -1.21 -3.17 120.40 123.44 1dk2 s VAL 65 Ca 0.00 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.10 1dk2 s VAL 65 Cb 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1dk2 s VAL 65 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1dk2 n GLY 66 N 1.62 2.72 0.12 4.51 0.00 -1.26 -4.82 105.19 108.07 1dk2 n GLY 66 Ca -0.10 -1.82 -0.15 0.00 0.00 0.00 0.00 46.02 43.95 1dk2 n GLY 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1dk2 n THR 67 N 0.00 1.47 0.27 2.61 -1.04 -1.26 -3.51 114.28 112.82 1dk2 n THR 67 Ca 0.00 -0.68 -0.11 0.00 -2.04 0.00 0.00 64.05 61.21 1dk2 n THR 67 Cb 0.00 -1.07 -0.05 0.00 -1.82 0.00 0.00 70.33 67.38 1dk2 n THR 67 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1dk2 h LYS 68 N 0.00 -0.71 -0.59 -2.82 3.64 -2.00 -2.46 116.57 111.63 1dk2 h LYS 68 Ca -0.56 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 58.85 1dk2 h LYS 68 Cb 2.03 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 33.99 1dk2 h LYS 68 CO -0.04 -0.47 0.28 0.82 -2.27 0.00 0.00 179.45 177.78 1dk2 h ILE 69 N -1.18 1.19 -0.98 2.00 1.08 -1.91 -2.12 117.51 115.60 1dk2 h ILE 69 Ca -0.08 -0.54 0.05 0.00 -0.39 0.00 0.00 64.86 63.91 1dk2 h ILE 69 Cb 0.56 0.44 -0.06 0.00 -3.07 0.00 0.00 36.82 34.69 1dk2 h ILE 69 CO 0.12 0.22 0.64 0.00 -0.69 0.00 0.00 178.15 178.44 1dk2 h ALA 70 N 1.49 1.41 -0.86 1.87 0.00 -1.59 -0.91 119.26 120.66 1dk2 h ALA 70 Ca 0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1dk2 h ALA 70 Cb 0.08 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1dk2 h ALA 70 CO -0.03 0.46 0.46 0.93 0.00 0.00 0.00 179.25 181.08 1dk2 h GLU 71 N 1.17 1.21 -0.02 0.00 5.08 -0.88 -1.21 114.58 119.93 1dk2 h GLU 71 Ca 0.41 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1dk2 h GLU 71 Cb 0.11 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1dk2 h GLU 71 CO -0.15 0.90 -0.12 0.87 -1.00 0.00 0.00 179.01 179.51 1dk2 h LYS 72 N 1.21 0.03 -0.40 2.33 1.57 -1.06 -2.25 116.57 118.00 1dk2 h LYS 72 Ca 0.30 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 1dk2 h LYS 72 Cb 0.05 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1dk2 h LYS 72 CO -0.05 0.15 0.18 0.82 -0.57 0.00 0.00 179.45 179.98 1dk2 h ILE 73 N 0.03 1.19 -0.87 1.86 1.08 -0.70 -2.51 117.51 117.59 1dk2 h ILE 73 Ca 0.01 -0.55 0.09 0.00 -0.39 0.00 0.00 64.86 64.01 1dk2 h ILE 73 Cb 0.23 0.80 -0.07 0.00 -3.07 0.00 0.00 36.82 34.71 1dk2 h ILE 73 CO 0.02 0.20 0.52 0.44 -0.69 0.00 0.00 178.15 178.64 1dk2 h ASP 74 N 0.51 0.76 0.14 1.72 5.19 -1.27 0.19 116.42 123.66 1dk2 h ASP 74 Ca 0.14 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.56 1dk2 h ASP 74 Cb 0.16 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 1dk2 h ASP 74 CO -0.01 0.45 -0.11 -0.08 -3.12 0.00 0.00 179.24 176.37 1dk2 h GLU 75 N 0.88 0.00 0.11 3.56 4.81 -1.36 0.46 114.58 123.03 1dk2 h GLU 75 Ca 0.41 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.63 1dk2 h GLU 75 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1dk2 h GLU 75 CO -0.23 0.11 -0.05 0.74 -0.73 0.00 0.00 179.01 178.84 1dk2 h PHE 76 N 0.00 -0.14 0.00 0.92 -1.00 -0.27 -3.10 116.94 113.35 1dk2 h PHE 76 Ca -0.00 -0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.70 1dk2 h PHE 76 Cb 0.20 0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 1dk2 h PHE 76 CO 0.00 0.34 -0.35 -0.07 -1.61 0.00 0.00 178.31 176.62 1dk2 h LEU 77 N -0.71 0.00 0.00 1.54 -0.00 -1.05 -3.19 115.31 111.90 1dk2 h LEU 77 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1dk2 h LEU 77 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 1dk2 h LEU 77 CO 0.02 0.35 0.00 0.00 -0.00 0.00 0.00 178.44 178.82 1dk2 n ALA 78 N -2.28 -0.04 -0.03 1.53 0.00 0.16 -4.80 120.51 115.05 1dk2 n ALA 78 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1dk2 n ALA 78 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 1dk2 n ALA 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1dk2 n THR 79 N -0.62 1.29 -1.94 0.00 -1.04 -1.19 -5.07 114.28 105.72 1dk2 n THR 79 Ca 0.00 0.25 -0.03 0.00 -2.04 0.00 0.00 64.05 62.23 1dk2 n THR 79 Cb 0.00 -2.00 0.01 0.00 -1.82 0.00 0.00 70.33 66.52 1dk2 n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1dk2 n GLY 80 N 2.23 0.49 2.19 3.41 0.00 -1.18 -5.00 105.19 107.33 1dk2 n GLY 80 Ca -0.08 -0.22 0.01 0.00 0.00 0.00 0.00 46.02 45.72 1dk2 n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dk2 n LYS 81 N -1.69 0.93 -3.91 1.61 4.76 -1.26 -5.04 118.16 113.56 1dk2 n LYS 81 Ca -0.02 -2.50 -0.30 0.00 -2.87 0.00 0.00 58.31 52.62 1dk2 n LYS 81 Cb 0.52 -0.63 -0.15 0.00 -1.84 0.00 0.00 35.03 32.93 1dk2 n LYS 81 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1dk2 s LEU 82 N -2.19 3.07 -0.25 -0.35 1.02 -1.26 -4.96 118.68 113.75 1dk2 s LEU 82 Ca 0.25 -1.55 -0.01 0.00 0.02 0.00 0.00 54.13 52.84 1dk2 s LEU 82 Cb 0.33 -1.22 -0.17 0.00 0.02 0.00 0.00 46.19 45.15 1dk2 s LEU 82 CO -0.09 -0.32 -0.21 0.54 0.02 0.00 0.00 176.35 176.29 1dk2 n ARG 83 N 4.60 0.65 -2.27 1.70 1.74 -1.26 -4.95 116.66 116.86 1dk2 n ARG 83 Ca -0.05 0.18 -0.34 0.00 -0.77 0.00 0.00 57.85 56.87 1dk2 n ARG 83 Cb 0.43 -1.53 -0.01 0.00 -1.02 0.00 0.00 32.46 30.33 1dk2 n ARG 83 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1dk2 s LYS 84 N -2.52 3.49 0.39 5.56 1.02 -1.26 -5.05 119.74 121.36 1dk2 s LYS 84 Ca -0.35 1.36 0.08 0.00 0.02 0.00 0.00 55.97 57.08 1dk2 s LYS 84 Cb 0.10 -2.05 -0.02 0.00 -0.52 0.00 0.00 37.83 35.34 1dk2 s LYS 84 CO 0.59 -0.69 0.38 -0.51 -0.92 0.00 0.00 175.35 174.19 1dk2 s LEU 85 N -3.97 3.52 -0.04 3.17 1.43 -1.26 -5.12 118.68 116.40 1dk2 s LEU 85 Ca 0.67 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1dk2 s LEU 85 Cb -0.18 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 1dk2 s LEU 85 CO 0.28 -0.56 -0.08 -1.61 0.23 0.00 0.00 176.35 174.62 1dk2 s GLU 86 N -4.11 2.66 0.00 1.70 2.02 -1.26 -5.28 118.70 114.42 1dk2 s GLU 86 Ca 0.46 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.84 1dk2 s GLU 86 Cb -0.05 -2.54 0.00 0.00 0.10 0.00 0.00 34.13 31.64 1dk2 s GLU 86 CO 0.28 0.64 0.26 1.17 0.02 0.00 0.00 175.26 177.64