#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 0.00 0.00 4.33 2.10 -2.13 -3.41 116.57 117.46 1dk2 h LYS 3 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1dk2 h LYS 3 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1dk2 h LYS 3 CO 0.00 0.16 0.00 2.89 -2.00 0.00 0.00 179.45 180.50 1dk2 n ARG 4 N -4.34 0.00 -3.40 0.07 1.85 -1.26 -5.04 116.66 104.54 1dk2 n ARG 4 Ca -0.03 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.60 1dk2 n ARG 4 Cb 0.23 -0.15 0.07 0.00 -1.05 0.00 0.00 32.46 31.56 1dk2 n ARG 4 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1dk2 n LYS 5 N -1.93 -6.84 -1.70 2.89 0.00 -1.26 -4.87 118.16 104.44 1dk2 n LYS 5 Ca 0.00 0.81 -0.43 0.00 0.00 0.00 0.00 58.31 58.69 1dk2 n LYS 5 Cb 0.00 -5.69 -0.03 0.00 0.00 0.00 0.00 35.03 29.31 1dk2 n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1dk2 s ALA 6 N -3.26 2.90 -1.19 3.14 0.00 -1.26 -4.89 121.76 117.19 1dk2 s ALA 6 Ca 0.49 0.76 -0.16 0.00 0.00 0.00 0.00 51.96 53.06 1dk2 s ALA 6 Cb -0.22 -4.02 0.14 0.00 0.00 0.00 0.00 23.12 19.02 1dk2 s ALA 6 CO 0.61 -2.55 1.47 -1.25 0.00 0.00 0.00 175.76 174.04 1dk2 s PRO 7 N 5.88 3.99 0.09 0.00 0.04 -1.26 -5.00 135.00 138.74 1dk2 s PRO 7 Ca 0.94 -2.29 -0.01 0.00 0.04 0.00 0.00 61.00 59.68 1dk2 s PRO 7 Cb -0.32 -5.17 0.02 0.00 0.04 0.00 0.00 34.50 29.07 1dk2 s PRO 7 CO 0.35 -1.90 0.12 1.04 0.04 0.00 0.00 177.00 176.66 1dk2 n GLN 8 N 6.52 0.28 -2.68 4.56 6.02 -1.26 -4.98 117.38 125.85 1dk2 n GLN 8 Ca 0.38 -0.26 -0.42 0.00 -0.01 0.00 0.00 57.00 56.69 1dk2 n GLN 8 Cb 0.45 -0.10 -0.03 0.00 1.02 0.00 0.00 30.24 31.57 1dk2 n GLN 8 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1dk2 s GLU 9 N -2.92 3.18 -0.18 -1.09 2.02 -1.26 -4.97 118.70 113.48 1dk2 s GLU 9 Ca 0.07 -0.44 -0.29 0.00 0.02 0.00 0.00 54.97 54.34 1dk2 s GLU 9 Cb -0.00 -4.19 -0.05 0.00 0.10 0.00 0.00 34.13 29.99 1dk2 s GLU 9 CO 0.05 -1.99 2.01 -0.08 0.02 0.00 0.00 175.26 175.27 1dk2 s THR 10 N 5.03 3.19 0.00 3.63 -1.32 -1.26 -4.85 115.64 120.05 1dk2 s THR 10 Ca 0.30 0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.99 1dk2 s THR 10 Cb -0.11 -3.21 0.00 0.00 -1.51 0.00 0.00 72.50 67.66 1dk2 s THR 10 CO 0.14 -0.11 0.00 0.18 -2.21 0.00 0.00 174.62 172.62 1dk2 n LEU 11 N 10.08 0.00 -2.89 9.08 4.77 -1.26 -4.71 117.00 132.06 1dk2 n LEU 11 Ca 0.25 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.90 1dk2 n LEU 11 Cb 0.44 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1dk2 n LEU 11 CO 0.67 -0.31 1.81 0.59 -1.33 0.00 0.00 177.39 178.82 1dk2 n ASN 12 N -2.06 7.09 -0.15 -1.43 5.03 -1.26 -4.50 115.26 117.98 1dk2 n ASN 12 Ca 0.00 -3.28 0.13 0.00 0.87 0.00 0.00 54.58 52.30 1dk2 n ASN 12 Cb 0.00 -1.25 0.33 0.00 -1.02 0.00 0.00 39.78 37.84 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 0.93 -0.87 0.13 7.41 0.00 -1.26 -3.39 105.19 108.14 1dk2 n GLY 13 Ca 0.53 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 1.40 -0.61 0.18 -0.02 0.00 -1.26 -3.68 105.19 101.20 1dk2 n GLY 14 Ca 0.10 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.31 1.29 -0.52 -0.61 2.04 -1.93 -2.92 117.51 114.55 1dk2 h ILE 15 Ca -0.44 -1.19 0.05 0.00 1.00 0.00 0.00 64.86 64.28 1dk2 h ILE 15 Cb 1.79 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 39.32 1dk2 h ILE 15 CO -0.05 0.38 0.34 0.00 0.00 0.00 0.00 178.15 178.82 1dk2 h THR 16 N 0.32 1.01 -0.36 -0.27 1.03 -1.75 0.12 112.91 113.01 1dk2 h THR 16 Ca 0.06 -0.18 -0.04 0.00 -0.01 0.00 0.00 66.41 66.25 1dk2 h THR 16 Cb 0.62 0.45 -0.02 0.00 -1.07 0.00 0.00 68.15 68.13 1dk2 h THR 16 CO 0.04 0.09 0.06 -0.78 -0.01 0.00 0.00 175.52 174.93 1dk2 h ASP 17 N 0.52 0.49 0.79 0.00 3.58 -1.59 0.23 116.42 120.44 1dk2 h ASP 17 Ca 0.22 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1dk2 h ASP 17 Cb 0.21 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.13 1dk2 h ASP 17 CO -0.06 0.52 -0.77 0.24 -2.88 0.00 0.00 179.24 176.29 1dk2 h MET 18 N 0.53 0.00 0.09 0.28 2.86 -1.06 -2.87 114.93 114.76 1dk2 h MET 18 Ca 0.12 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.44 1dk2 h MET 18 Cb 0.24 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1dk2 h MET 18 CO 0.00 0.00 -1.76 -0.07 1.06 0.00 0.00 176.91 176.15 1dk2 h LEU 19 N 0.00 0.29 -0.06 1.22 3.38 -0.12 -3.10 115.31 116.92 1dk2 h LEU 19 Ca 0.00 -0.54 -0.22 0.00 0.09 0.00 0.00 57.88 57.21 1dk2 h LEU 19 Cb 0.78 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1dk2 h LEU 19 CO 0.00 1.48 -1.01 0.58 0.09 0.00 0.00 178.44 179.58 1dk2 h VAL 20 N 0.05 1.63 0.45 1.22 2.07 -0.70 -1.97 116.25 119.00 1dk2 h VAL 20 Ca -0.32 -3.16 -0.02 0.00 0.82 0.00 0.00 66.70 64.02 1dk2 h VAL 20 Cb 2.02 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 34.57 1dk2 h VAL 20 CO 0.11 0.91 -0.22 -0.08 0.02 0.00 0.00 177.57 178.31 1dk2 h GLU 21 N 0.03 -0.59 -0.36 1.57 4.81 -1.63 -2.99 114.58 115.41 1dk2 h GLU 21 Ca -0.04 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1dk2 h GLU 21 Cb 1.73 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 31.23 1dk2 h GLU 21 CO 0.14 -0.36 0.01 1.37 -0.73 0.00 0.00 179.01 179.45 1dk2 h LEU 22 N -1.13 0.52 -0.87 1.64 8.10 -1.68 -2.54 115.31 119.34 1dk2 h LEU 22 Ca -0.06 -0.10 0.15 0.00 0.11 0.00 0.00 57.88 57.99 1dk2 h LEU 22 Cb 0.50 -0.14 -0.10 0.00 -0.44 0.00 0.00 40.66 40.49 1dk2 h LEU 22 CO 0.10 0.58 0.46 0.00 -4.11 0.00 0.00 178.44 175.47 1dk2 h ALA 23 N 1.49 1.34 -0.63 0.17 0.00 -1.39 0.40 119.26 120.63 1dk2 h ALA 23 Ca 0.12 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1dk2 h ALA 23 Cb 0.32 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1dk2 h ALA 23 CO 0.01 -0.09 0.18 -0.91 0.00 0.00 0.00 179.25 178.44 1dk2 h ASN 24 N 0.64 0.89 0.16 0.00 2.35 -1.30 -0.94 115.58 117.37 1dk2 h ASN 24 Ca 0.48 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 56.07 1dk2 h ASN 24 Cb 0.70 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 1dk2 h ASN 24 CO -0.37 0.84 -0.04 0.15 -1.65 0.00 0.00 177.43 176.37 1dk2 h PHE 25 N 0.92 0.00 0.12 1.19 3.57 -0.18 0.49 116.94 123.06 1dk2 h PHE 25 Ca 0.20 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1dk2 h PHE 25 Cb 0.28 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1dk2 h PHE 25 CO 0.02 0.04 -0.06 0.93 -2.23 0.00 0.00 178.31 177.01 1dk2 h GLU 26 N 0.00 -0.16 -0.46 1.11 4.39 -0.23 -2.99 114.58 116.24 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 0.13 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1dk2 h GLU 26 CO 0.00 0.08 -0.14 -0.22 -1.16 0.00 0.00 179.01 177.58 1dk2 h LYS 27 N -1.01 0.91 -0.14 2.33 3.64 -1.34 -2.57 116.57 118.39 1dk2 h LYS 27 Ca -0.02 -0.36 0.04 0.00 -1.27 0.00 0.00 60.65 59.04 1dk2 h LYS 27 Cb 0.32 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1dk2 h LYS 27 CO 0.03 1.02 0.16 -0.91 -2.27 0.00 0.00 179.45 177.47 1dk2 h ASN 28 N 0.76 0.00 -3.27 4.20 -0.26 -0.16 -3.41 115.58 113.44 1dk2 h ASN 28 Ca 0.11 0.00 -0.47 0.00 -0.56 0.00 0.00 56.30 55.38 1dk2 h ASN 28 Cb 0.70 0.00 0.04 0.00 -1.06 0.00 0.00 38.32 38.00 1dk2 h ASN 28 CO 0.05 0.00 0.06 -0.69 -1.06 0.00 0.00 177.43 175.79 1dk2 s VAL 29 N -4.62 3.91 0.00 2.81 1.01 -0.97 -5.05 120.40 117.49 1dk2 s VAL 29 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1dk2 s VAL 29 Cb 0.15 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1dk2 s VAL 29 CO 0.54 -0.44 0.12 -0.24 0.00 0.00 0.00 175.10 175.08 1dk2 n SER 30 N -2.34 0.00 -3.35 3.32 2.88 -1.26 -4.23 113.62 108.63 1dk2 n SER 30 Ca 0.03 0.56 -0.39 0.00 -1.33 0.00 0.00 58.87 57.73 1dk2 n SER 30 Cb 0.57 -0.50 -0.02 0.00 -0.75 0.00 0.00 64.21 63.51 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 -1.99 3.94 -2.95 -1.46 1.13 -1.26 -4.47 117.38 110.32 1dk2 n GLN 31 Ca 0.00 -2.54 -0.14 0.00 -1.94 0.00 0.00 57.00 52.39 1dk2 n GLN 31 Cb 0.00 -2.75 0.02 0.00 0.11 0.00 0.00 30.24 27.62 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 3.06 0.45 -0.05 -1.58 0.00 -1.26 -4.93 120.51 116.21 1dk2 n ALA 32 Ca 0.74 -2.35 -0.05 0.00 0.00 0.00 0.00 53.44 51.79 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 0.76 0.69 -0.01 0.00 0.13 -1.26 -3.16 119.36 116.50 1dk2 n ILE 33 Ca 0.15 -0.44 -0.12 0.00 -1.10 0.00 0.00 62.75 61.24 1dk2 n ILE 33 Cb 0.65 -0.68 -0.07 0.00 -0.84 0.00 0.00 39.64 38.69 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 0.11 0.00 9.51 2.07 -1.95 -2.49 115.15 122.40 1dk2 h HIS 34 Ca -0.27 -0.01 -0.06 0.00 -2.85 0.00 0.00 60.37 57.18 1dk2 h HIS 34 Cb 1.60 -0.03 -0.01 0.00 2.57 0.00 0.00 27.41 31.54 1dk2 h HIS 34 CO 0.00 0.27 -0.27 1.57 -3.07 0.00 0.00 177.93 176.43 1dk2 h LYS 35 N -0.08 0.00 0.16 5.12 -0.00 -1.96 -3.19 116.57 116.62 1dk2 h LYS 35 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.67 1dk2 h LYS 35 Cb 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.42 1dk2 h LYS 35 CO -0.00 0.27 -0.31 -0.92 -0.00 0.00 0.00 179.45 178.49 1dk2 h TYR 36 N 0.00 -0.88 -0.16 0.07 3.20 -1.57 -0.57 116.97 117.06 1dk2 h TYR 36 Ca -0.00 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.93 1dk2 h TYR 36 Cb 0.71 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 1dk2 h TYR 36 CO 0.00 -0.37 0.16 -0.91 -1.64 0.00 0.00 178.16 175.40 1dk2 h ASN 37 N -0.51 0.00 0.27 -2.11 4.21 -1.59 0.16 115.58 116.00 1dk2 h ASN 37 Ca -0.02 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.48 1dk2 h ASN 37 Cb 0.48 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.67 1dk2 h ASN 37 CO -0.12 0.00 -0.21 0.00 -1.29 0.00 0.00 177.43 175.81 1dk2 h ALA 38 N 1.82 -0.98 0.00 -0.83 0.00 -1.10 0.29 119.26 118.46 1dk2 h ALA 38 Ca 0.07 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1dk2 h ALA 38 Cb 0.40 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1dk2 h ALA 38 CO -0.00 -0.98 -0.52 1.88 0.00 0.00 0.00 179.25 179.63 1dk2 h TYR 39 N -0.47 0.00 -0.54 0.00 -1.99 -1.26 -2.64 116.97 110.08 1dk2 h TYR 39 Ca -0.03 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.58 1dk2 h TYR 39 Cb 0.39 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.10 1dk2 h TYR 39 CO -0.08 0.52 -0.11 0.00 -0.00 0.00 0.00 178.16 178.49 1dk2 h ARG 40 N 0.00 1.02 -0.09 4.88 2.47 -0.85 0.75 114.38 122.56 1dk2 h ARG 40 Ca -0.01 -0.38 -0.10 0.00 -1.26 0.00 0.00 59.98 58.24 1dk2 h ARG 40 Cb 1.11 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 1dk2 h ARG 40 CO 0.07 1.06 -0.32 0.87 0.56 0.00 0.00 179.97 182.21 1dk2 h LYS 41 N 0.90 0.38 -0.72 0.04 1.57 -0.37 -2.43 116.57 115.94 1dk2 h LYS 41 Ca 0.14 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 1dk2 h LYS 41 Cb 0.68 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 1dk2 h LYS 41 CO 0.05 0.91 0.28 0.00 -0.57 0.00 0.00 179.45 180.12 1dk2 h ALA 42 N 0.47 0.93 0.00 3.86 0.00 -1.42 -1.77 119.26 121.33 1dk2 h ALA 42 Ca -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1dk2 h ALA 42 Cb 0.95 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1dk2 h ALA 42 CO 0.07 0.57 -0.16 0.00 0.00 0.00 0.00 179.25 179.73 1dk2 h ALA 43 N 1.13 1.21 0.09 0.00 0.00 -0.86 0.44 119.26 121.28 1dk2 h ALA 43 Ca 0.24 -0.14 -0.26 0.00 0.00 0.00 0.00 54.91 54.74 1dk2 h ALA 43 Cb 0.23 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1dk2 h ALA 43 CO -0.02 0.20 -1.15 0.77 0.00 0.00 0.00 179.25 179.06 1dk2 h SER 44 N 0.00 0.56 0.07 0.00 0.02 -0.83 -2.51 113.55 110.85 1dk2 h SER 44 Ca -0.00 -0.52 -0.30 0.00 -0.84 0.00 0.00 61.79 60.12 1dk2 h SER 44 Cb 0.45 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1dk2 h SER 44 CO 0.02 1.36 -1.64 0.55 -1.14 0.00 0.00 176.83 175.99 1dk2 n VAL 45 N -3.66 1.67 0.21 2.27 3.14 -0.87 -3.33 118.33 117.75 1dk2 n VAL 45 Ca -0.09 -0.35 -0.14 0.00 -2.96 0.00 0.00 64.34 60.81 1dk2 n VAL 45 Cb 0.95 -1.89 -0.08 0.00 -1.06 0.00 0.00 33.84 31.77 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 -0.46 0.50 0.00 1.55 2.04 -0.28 0.15 117.51 121.02 1dk2 h ILE 46 Ca -0.39 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 64.97 1dk2 h ILE 46 Cb 1.68 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1dk2 h ILE 46 CO -0.06 0.08 -0.00 0.00 0.00 0.00 0.00 178.15 178.17 1dk2 h ALA 47 N -0.49 1.03 -0.15 1.87 0.00 -1.57 -1.27 119.26 118.67 1dk2 h ALA 47 Ca -0.06 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1dk2 h ALA 47 Cb 0.56 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1dk2 h ALA 47 CO 0.09 0.00 -0.20 1.17 0.00 0.00 0.00 179.25 180.32 1dk2 n LYS 48 N -3.12 1.78 -3.21 0.00 0.00 -1.07 -4.89 118.16 107.65 1dk2 n LYS 48 Ca -0.03 -3.07 -0.39 0.00 0.00 0.00 0.00 58.31 54.83 1dk2 n LYS 48 Cb 0.08 -1.69 -0.06 0.00 0.00 0.00 0.00 35.03 33.36 1dk2 n LYS 48 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1dk2 s TYR 49 N -3.12 3.77 -1.74 5.64 5.04 0.52 -4.91 117.35 122.55 1dk2 s TYR 49 Ca 0.40 1.29 0.07 0.00 -2.44 0.00 0.00 57.07 56.38 1dk2 s TYR 49 Cb 0.36 -2.57 0.22 0.00 0.35 0.00 0.00 41.96 40.32 1dk2 s TYR 49 CO -0.01 0.49 1.12 -0.35 -1.34 0.00 0.00 175.55 175.46 1dk2 n PRO 50 N 2.08 1.70 -4.06 4.97 -0.04 -1.26 -4.77 135.00 133.61 1dk2 n PRO 50 Ca -0.08 -0.89 -0.10 0.00 -0.04 0.00 0.00 63.50 62.38 1dk2 n PRO 50 Cb 0.51 -1.30 -0.07 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.66 0.63 -0.07 0.54 3.76 -1.26 -5.12 115.29 112.11 1dk2 s HIS 51 Ca 0.16 -0.94 -0.02 0.00 -0.15 0.00 0.00 55.06 54.11 1dk2 s HIS 51 Cb 0.09 -0.07 -0.04 0.00 1.11 0.00 0.00 32.58 33.68 1dk2 s HIS 51 CO 0.10 -0.86 0.04 -1.59 -0.85 0.00 0.00 174.74 171.57 1dk2 s LYS 52 N -4.06 3.05 0.19 1.40 -2.85 -1.26 -4.72 119.74 111.50 1dk2 s LYS 52 Ca 0.28 -0.39 0.00 0.00 -1.00 0.00 0.00 55.97 54.86 1dk2 s LYS 52 Cb 0.02 -2.86 -0.04 0.00 -2.06 0.00 0.00 37.83 32.89 1dk2 s LYS 52 CO 0.10 0.70 0.37 0.96 0.10 0.00 0.00 175.35 177.58 1dk2 s ILE 53 N -0.97 5.23 -0.05 3.79 -4.36 -1.26 -5.02 121.20 118.56 1dk2 s ILE 53 Ca 0.15 -0.44 0.05 0.00 -0.26 0.00 0.00 60.65 60.15 1dk2 s ILE 53 Cb -0.12 -3.74 -0.06 0.00 1.25 0.00 0.00 42.46 39.79 1dk2 s ILE 53 CO 0.05 -0.16 0.02 1.17 0.24 0.00 0.00 174.94 176.25 1dk2 n LYS 54 N -0.67 3.14 -4.32 0.37 3.00 -1.26 -5.06 118.16 113.37 1dk2 n LYS 54 Ca -0.05 -0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.09 1dk2 n LYS 54 Cb 0.54 -1.13 -0.10 0.00 0.00 0.00 0.00 35.03 34.33 1dk2 n LYS 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1dk2 s SER 55 N -3.63 1.78 0.57 3.14 0.15 -1.26 -4.90 113.70 109.54 1dk2 s SER 55 Ca -0.03 -1.21 0.27 0.00 0.70 0.00 0.00 55.95 55.68 1dk2 s SER 55 Cb 0.02 0.02 1.67 0.00 -1.71 0.00 0.00 66.02 66.01 1dk2 s SER 55 CO 0.21 -0.51 2.21 1.23 1.20 0.00 0.00 173.24 177.58 1dk2 h GLY 56 N 2.50 0.00 1.08 9.45 0.00 -1.85 -1.92 103.07 112.32 1dk2 h GLY 56 Ca -0.38 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.96 1dk2 h GLY 56 CO 0.64 0.00 0.61 0.00 0.00 0.00 0.00 176.54 177.79 1dk2 h ALA 57 N 1.98 1.32 0.00 3.60 0.00 -1.95 -0.15 119.26 124.05 1dk2 h ALA 57 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1dk2 h ALA 57 Cb 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1dk2 h ALA 57 CO 0.00 0.63 0.00 0.93 0.00 0.00 0.00 179.25 180.81 1dk2 h GLU 58 N 1.27 0.00 0.00 0.00 5.08 -1.76 -1.80 114.58 117.38 1dk2 h GLU 58 Ca 0.34 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.52 1dk2 h GLU 58 Cb -0.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1dk2 h GLU 58 CO -0.07 0.00 -1.38 0.00 -1.00 0.00 0.00 179.01 176.55 1dk2 h ALA 59 N 2.02 0.67 -0.08 3.43 0.00 -1.13 -3.35 119.26 120.81 1dk2 h ALA 59 Ca 0.00 -0.91 -0.23 0.00 0.00 0.00 0.00 54.91 53.77 1dk2 h ALA 59 Cb 0.18 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1dk2 h ALA 59 CO 0.00 1.00 -0.86 -0.22 0.00 0.00 0.00 179.25 179.17 1dk2 h LYS 60 N 0.00 0.66 0.00 0.00 3.11 -0.89 -3.07 116.57 116.38 1dk2 h LYS 60 Ca -0.17 -0.59 -0.00 0.00 -2.81 0.00 0.00 60.65 57.08 1dk2 h LYS 60 Cb 1.63 0.14 -0.00 0.00 -1.00 0.00 0.00 32.23 33.01 1dk2 h LYS 60 CO 0.05 1.20 -0.02 1.57 -2.81 0.00 0.00 179.45 179.45 1dk2 h LYS 61 N 0.42 0.00 -6.97 1.90 2.10 -1.63 -3.43 116.57 108.96 1dk2 h LYS 61 Ca -0.07 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.04 1dk2 h LYS 61 Cb 1.48 0.00 0.11 0.00 -0.90 0.00 0.00 32.23 32.93 1dk2 h LYS 61 CO 0.17 0.02 0.75 -0.51 -2.00 0.00 0.00 179.45 177.87 1dk2 s LEU 62 N -8.00 4.21 -0.41 7.07 1.43 -1.16 -4.92 118.68 116.90 1dk2 s LEU 62 Ca -0.05 3.00 -0.29 0.00 -1.03 0.00 0.00 54.13 55.77 1dk2 s LEU 62 Cb 0.15 -3.80 0.02 0.00 0.03 0.00 0.00 46.19 42.60 1dk2 s LEU 62 CO 0.58 -1.04 1.11 -2.16 0.23 0.00 0.00 176.35 175.08 1dk2 s PRO 63 N -2.28 3.86 0.00 1.29 0.04 -1.26 -3.30 135.00 133.35 1dk2 s PRO 63 Ca 0.57 0.77 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1dk2 s PRO 63 Cb -0.45 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.25 1dk2 s PRO 63 CO 0.60 -1.19 0.00 0.41 0.04 0.00 0.00 177.00 176.86 1dk2 n GLY 64 N 4.45 1.61 3.78 0.56 0.00 -1.26 -4.89 105.19 109.45 1dk2 n GLY 64 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.38 4.85 0.00 1.61 1.01 -1.21 -4.47 120.40 120.81 1dk2 s VAL 65 Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1dk2 s VAL 65 Cb 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1dk2 s VAL 65 CO 0.00 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1dk2 n GLY 66 N 2.14 1.71 0.10 4.51 0.00 -1.26 -4.91 105.19 107.48 1dk2 n GLY 66 Ca -0.09 -1.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 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 1.38 -0.07 2.61 5.66 -1.26 -3.51 114.28 119.09 1dk2 n THR 67 Ca 0.00 -0.84 -0.13 0.00 -3.05 0.00 0.00 64.05 60.03 1dk2 n THR 67 Cb 0.00 -0.50 -0.06 0.00 -1.55 0.00 0.00 70.33 68.22 1dk2 n THR 67 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 1dk2 h LYS 68 N 0.00 0.45 -0.15 1.09 2.10 -1.99 -1.73 116.57 116.33 1dk2 h LYS 68 Ca -0.54 -0.23 -0.17 0.00 -2.00 0.00 0.00 60.65 57.71 1dk2 h LYS 68 Cb 2.23 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 33.56 1dk2 h LYS 68 CO 0.03 0.79 -0.57 0.82 -2.00 0.00 0.00 179.45 178.51 1dk2 h ILE 69 N 0.12 1.32 -0.79 0.07 1.08 -1.91 -2.96 117.51 114.45 1dk2 h ILE 69 Ca 0.03 -1.82 0.03 0.00 -0.39 0.00 0.00 64.86 62.71 1dk2 h ILE 69 Cb 0.69 2.01 -0.05 0.00 -3.07 0.00 0.00 36.82 36.41 1dk2 h ILE 69 CO 0.04 0.57 0.50 0.00 -0.69 0.00 0.00 178.15 178.57 1dk2 h ALA 70 N 0.54 1.03 -0.59 1.87 0.00 -1.59 -1.34 119.26 119.18 1dk2 h ALA 70 Ca -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1dk2 h ALA 70 Cb 1.20 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1dk2 h ALA 70 CO 0.12 0.32 0.31 0.93 0.00 0.00 0.00 179.25 180.92 1dk2 h GLU 71 N 0.98 0.81 -0.10 0.00 5.08 -1.31 -1.32 114.58 118.72 1dk2 h GLU 71 Ca 0.31 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1dk2 h GLU 71 Cb 0.01 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1dk2 h GLU 71 CO -0.11 0.61 -0.16 -0.22 -1.00 0.00 0.00 179.01 178.13 1dk2 h LYS 72 N 0.82 0.17 -0.34 2.33 3.64 -1.08 -2.62 116.57 119.48 1dk2 h LYS 72 Ca 0.21 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1dk2 h LYS 72 Cb 0.05 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1dk2 h LYS 72 CO -0.03 0.33 0.13 0.82 -2.27 0.00 0.00 179.45 178.43 1dk2 h ILE 73 N 0.16 1.19 -0.99 2.00 1.08 -0.79 -2.45 117.51 117.71 1dk2 h ILE 73 Ca 0.03 -0.61 0.10 0.00 -0.39 0.00 0.00 64.86 63.99 1dk2 h ILE 73 Cb 0.39 0.96 -0.08 0.00 -3.07 0.00 0.00 36.82 35.02 1dk2 h ILE 73 CO 0.02 0.21 0.63 -0.78 -0.69 0.00 0.00 178.15 177.55 1dk2 h ASP 74 N 0.40 0.96 0.19 1.72 1.82 -1.34 0.19 116.42 120.36 1dk2 h ASP 74 Ca 0.11 0.03 -0.05 0.00 -0.39 0.00 0.00 57.03 56.73 1dk2 h ASP 74 Cb 0.21 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.04 1dk2 h ASP 74 CO -0.01 0.56 -0.21 -0.33 -1.61 0.00 0.00 179.24 177.64 1dk2 h GLU 75 N 1.05 0.04 0.10 0.28 5.08 -1.34 0.42 114.58 120.22 1dk2 h GLU 75 Ca 0.46 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1dk2 h GLU 75 Cb 0.36 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1dk2 h GLU 75 CO -0.22 0.25 -0.05 0.74 -1.00 0.00 0.00 179.01 178.74 1dk2 h PHE 76 N 0.04 -0.12 0.00 4.33 -1.00 -0.20 -2.92 116.94 117.07 1dk2 h PHE 76 Ca 0.01 -0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.71 1dk2 h PHE 76 Cb 0.39 0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.98 1dk2 h PHE 76 CO 0.00 0.26 -0.36 -0.07 -1.61 0.00 0.00 178.31 176.53 1dk2 h LEU 77 N -0.53 0.00 0.00 1.54 -0.00 -1.11 -3.33 115.31 111.88 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 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 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 -2.26 0.00 0.01 1.53 0.00 0.15 -4.85 120.51 115.08 1dk2 n ALA 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1dk2 n ALA 78 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.50 0.11 0.00 0.00 -2.24 -1.18 -5.09 114.28 105.38 1dk2 n THR 79 Ca 0.00 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1dk2 n THR 79 Cb 0.00 -1.34 0.00 0.00 -2.10 0.00 0.00 70.33 66.89 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 2.80 1.73 2.99 3.38 0.00 -1.11 -5.01 105.19 109.97 1dk2 n GLY 80 Ca 0.00 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 1dk2 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dk2 s LYS 81 N 0.00 1.03 -0.07 1.61 1.02 -1.26 -4.66 119.74 117.41 1dk2 s LYS 81 Ca 0.00 -0.30 -0.06 0.00 0.02 0.00 0.00 55.97 55.63 1dk2 s LYS 81 Cb 0.00 -0.95 0.02 0.00 -0.52 0.00 0.00 37.83 36.38 1dk2 s LYS 81 CO 0.00 0.09 0.18 -0.51 -0.92 0.00 0.00 175.35 174.19 1dk2 s LEU 82 N 0.32 1.15 -0.88 3.17 1.43 -1.26 -5.07 118.68 117.54 1dk2 s LEU 82 Ca -0.05 0.37 -0.25 0.00 -1.03 0.00 0.00 54.13 53.17 1dk2 s LEU 82 Cb -0.10 0.60 -0.08 0.00 0.03 0.00 0.00 46.19 46.64 1dk2 s LEU 82 CO 0.01 -0.08 2.11 -0.13 0.23 0.00 0.00 176.35 178.49 1dk2 s ARG 83 N 0.34 2.19 -0.10 1.70 1.81 -1.26 -4.86 118.95 118.76 1dk2 s ARG 83 Ca -0.02 -0.05 -0.03 0.00 -1.72 0.00 0.00 55.73 53.91 1dk2 s ARG 83 Cb -0.03 -4.97 0.04 0.00 -0.45 0.00 0.00 34.95 29.54 1dk2 s ARG 83 CO -0.01 -3.82 0.07 0.15 -0.68 0.00 0.00 175.30 171.00 1dk2 s LYS 84 N 7.68 0.06 -0.05 3.54 1.02 -1.26 -5.12 119.74 125.61 1dk2 s LYS 84 Ca 0.78 0.15 -0.01 0.00 0.02 0.00 0.00 55.97 56.91 1dk2 s LYS 84 Cb -0.09 -1.11 0.03 0.00 -0.52 0.00 0.00 37.83 36.14 1dk2 s LYS 84 CO 0.03 -0.47 0.01 -0.51 -0.92 0.00 0.00 175.35 173.49 1dk2 s LEU 85 N 2.13 0.75 0.06 3.17 1.43 -1.26 -5.14 118.68 119.81 1dk2 s LEU 85 Ca 0.04 -0.05 0.08 0.00 -1.03 0.00 0.00 54.13 53.17 1dk2 s LEU 85 Cb -0.14 -0.34 -0.03 0.00 0.03 0.00 0.00 46.19 45.72 1dk2 s LEU 85 CO -0.06 -0.16 -0.24 -1.61 0.23 0.00 0.00 176.35 174.52 1dk2 s GLU 86 N 1.64 1.54 0.00 1.70 0.41 -1.26 -5.33 118.70 117.39 1dk2 s GLU 86 Ca -0.01 -1.06 0.00 0.00 -0.41 0.00 0.00 54.97 53.49 1dk2 s GLU 86 Cb -0.13 -1.72 0.00 0.00 -1.78 0.00 0.00 34.13 30.50 1dk2 s GLU 86 CO -0.03 0.44 0.00 0.36 -0.49 0.00 0.00 175.26 175.53