#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dk2 n LYS 3 N 0.00 -0.52 -1.47 -1.46 4.81 -1.26 -4.86 118.16 113.40 1dk2 n LYS 3 Ca 0.00 0.00 0.18 0.00 -0.87 0.00 0.00 58.31 57.62 1dk2 n LYS 3 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 1dk2 n LYS 3 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1dk2 n ARG 4 N -1.06 -3.29 -3.04 1.64 1.74 -1.26 -4.59 116.66 106.80 1dk2 n ARG 4 Ca 0.00 2.58 -0.43 0.00 -0.77 0.00 0.00 57.85 59.22 1dk2 n ARG 4 Cb 0.00 -3.88 -0.05 0.00 -1.02 0.00 0.00 32.46 27.50 1dk2 n ARG 4 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1dk2 s LYS 5 N -3.79 3.19 0.64 5.56 1.02 -1.26 -5.04 119.74 120.06 1dk2 s LYS 5 Ca 0.00 -0.68 -0.02 0.00 0.02 0.00 0.00 55.97 55.28 1dk2 s LYS 5 Cb 0.00 -4.09 0.06 0.00 -0.52 0.00 0.00 37.83 33.28 1dk2 s LYS 5 CO 0.00 -1.34 0.91 0.00 -0.92 0.00 0.00 175.35 174.00 1dk2 s ALA 6 N 3.12 3.56 0.33 5.17 0.00 -1.26 -5.08 121.76 127.60 1dk2 s ALA 6 Ca 0.20 -1.24 -0.13 0.00 0.00 0.00 0.00 51.96 50.79 1dk2 s ALA 6 Cb -0.17 -2.27 -0.08 0.00 0.00 0.00 0.00 23.12 20.60 1dk2 s ALA 6 CO 0.14 -1.10 0.73 -1.25 0.00 0.00 0.00 175.76 174.28 1dk2 s PRO 7 N -5.02 3.93 0.44 0.00 0.04 -1.26 -5.04 135.00 128.09 1dk2 s PRO 7 Ca 0.60 0.58 -0.25 0.00 0.04 0.00 0.00 61.00 61.97 1dk2 s PRO 7 Cb -0.10 -2.44 -0.08 0.00 0.04 0.00 0.00 34.50 31.92 1dk2 s PRO 7 CO 0.42 0.12 1.39 1.14 0.04 0.00 0.00 177.00 180.11 1dk2 s GLN 8 N -3.18 3.75 0.52 4.56 1.03 -1.26 -5.02 119.66 120.05 1dk2 s GLN 8 Ca 0.53 2.34 0.01 0.00 0.04 0.00 0.00 55.36 58.27 1dk2 s GLN 8 Cb -0.10 -2.67 -0.01 0.00 0.03 0.00 0.00 33.01 30.26 1dk2 s GLN 8 CO 0.21 -0.74 0.01 -1.21 -2.54 0.00 0.00 175.29 171.02 1dk2 s GLU 9 N -2.41 2.22 0.22 9.60 2.02 -1.26 -5.04 118.70 124.05 1dk2 s GLU 9 Ca 0.60 -2.42 0.07 0.00 0.02 0.00 0.00 54.97 53.24 1dk2 s GLU 9 Cb -0.42 -1.54 0.16 0.00 0.10 0.00 0.00 34.13 32.43 1dk2 s GLU 9 CO 0.54 -0.39 1.49 1.79 0.02 0.00 0.00 175.26 178.71 1dk2 h THR 10 N 1.30 1.49 -1.12 3.63 1.35 -2.04 -3.45 112.91 114.07 1dk2 h THR 10 Ca -0.44 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 62.99 1dk2 h THR 10 Cb 1.32 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 70.05 1dk2 h THR 10 CO 0.73 0.70 0.00 0.18 -0.25 0.00 0.00 175.52 176.88 1dk2 n LEU 11 N -3.71 0.00 -3.12 3.87 7.99 -1.26 -4.83 117.00 115.94 1dk2 n LEU 11 Ca -0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 56.01 55.60 1dk2 n LEU 11 Cb 0.71 0.00 0.02 0.00 -0.11 0.00 0.00 43.42 44.04 1dk2 n LEU 11 CO 0.45 -1.27 1.58 0.59 -1.51 0.00 0.00 177.39 177.22 1dk2 n ASN 12 N -2.83 7.40 0.07 -1.43 3.02 -1.26 -4.55 115.26 115.67 1dk2 n ASN 12 Ca 0.00 -3.68 0.12 0.00 -0.03 0.00 0.00 54.58 50.99 1dk2 n ASN 12 Cb 0.00 -1.14 0.08 0.00 -0.61 0.00 0.00 39.78 38.11 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 -0.09 -1.39 0.10 7.41 0.00 -1.26 -3.09 105.19 106.87 1dk2 n GLY 13 Ca 0.52 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 1.29 -0.84 0.08 -0.02 0.00 -1.26 -3.53 105.19 100.90 1dk2 n GLY 14 Ca 0.02 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 0.02 1.36 -0.24 -0.61 5.03 -1.91 -3.12 117.51 118.04 1dk2 h ILE 15 Ca -0.35 -1.54 0.07 0.00 -0.12 0.00 0.00 64.86 62.92 1dk2 h ILE 15 Cb 2.03 2.35 -0.01 0.00 -3.03 0.00 0.00 36.82 38.16 1dk2 h ILE 15 CO 0.08 0.38 0.19 0.00 -0.68 0.00 0.00 178.15 178.11 1dk2 h THR 16 N -0.76 0.73 0.00 -0.27 1.03 -1.73 0.17 112.91 112.08 1dk2 h THR 16 Ca -0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 66.41 66.32 1dk2 h THR 16 Cb 0.65 0.86 -0.01 0.00 -1.07 0.00 0.00 68.15 68.58 1dk2 h THR 16 CO 0.01 0.00 -0.37 -0.78 -0.01 0.00 0.00 175.52 174.36 1dk2 h ASP 17 N 0.00 0.00 0.94 0.00 3.58 -1.59 -0.35 116.42 119.00 1dk2 h ASP 17 Ca 0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1dk2 h ASP 17 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1dk2 h ASP 17 CO -0.00 0.37 -1.00 0.23 -2.88 0.00 0.00 179.24 175.96 1dk2 n MET 18 N -3.66 0.57 0.00 0.28 2.81 0.48 -2.53 117.12 115.07 1dk2 n MET 18 Ca -0.01 0.11 -0.14 0.00 -1.81 0.00 0.00 57.70 55.86 1dk2 n MET 18 Cb 0.48 -1.80 -0.14 0.00 -0.71 0.00 0.00 33.22 31.04 1dk2 n MET 18 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1dk2 h LEU 19 N 0.00 0.18 0.03 4.03 4.07 -1.06 -3.08 115.31 119.49 1dk2 h LEU 19 Ca 0.00 -0.37 -0.23 0.00 0.08 0.00 0.00 57.88 57.36 1dk2 h LEU 19 Cb 0.97 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.63 1dk2 h LEU 19 CO 0.00 1.33 -1.08 0.58 -1.08 0.00 0.00 178.44 178.19 1dk2 h VAL 20 N 0.03 1.64 0.40 1.22 2.07 -1.20 -2.02 116.25 118.39 1dk2 h VAL 20 Ca -0.31 -3.28 -0.02 0.00 0.82 0.00 0.00 66.70 63.90 1dk2 h VAL 20 Cb 2.01 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 34.66 1dk2 h VAL 20 CO 0.10 0.95 -0.19 -0.08 0.02 0.00 0.00 177.57 178.36 1dk2 h GLU 21 N 0.03 -0.51 -0.42 1.57 4.57 -1.63 -2.99 114.58 115.20 1dk2 h GLU 21 Ca -0.05 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 1dk2 h GLU 21 Cb 1.83 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 30.52 1dk2 h GLU 21 CO 0.16 -0.28 0.12 1.37 -1.18 0.00 0.00 179.01 179.20 1dk2 h LEU 22 N -1.09 0.56 -0.82 1.64 8.10 -1.68 -2.38 115.31 119.64 1dk2 h LEU 22 Ca -0.05 -0.07 0.15 0.00 0.11 0.00 0.00 57.88 58.01 1dk2 h LEU 22 Cb 0.47 -0.14 -0.09 0.00 -0.44 0.00 0.00 40.66 40.46 1dk2 h LEU 22 CO 0.09 0.54 0.39 0.00 -4.11 0.00 0.00 178.44 175.36 1dk2 h ALA 23 N 1.54 1.21 -0.31 0.17 0.00 -1.40 0.50 119.26 120.98 1dk2 h ALA 23 Ca 0.14 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1dk2 h ALA 23 Cb 0.19 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1dk2 h ALA 23 CO -0.01 -0.13 -0.07 -0.91 0.00 0.00 0.00 179.25 178.14 1dk2 h ASN 24 N 0.56 0.47 0.41 0.00 4.21 -1.28 -1.40 115.58 118.56 1dk2 h ASN 24 Ca 0.45 -0.10 -0.04 0.00 1.21 0.00 0.00 56.30 57.81 1dk2 h ASN 24 Cb 0.65 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.72 1dk2 h ASN 24 CO -0.38 0.59 -0.21 0.15 -1.29 0.00 0.00 177.43 176.30 1dk2 h PHE 25 N 0.47 0.00 0.00 1.19 3.04 0.07 0.33 116.94 122.04 1dk2 h PHE 25 Ca 0.09 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 1dk2 h PHE 25 Cb 0.41 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.92 1dk2 h PHE 25 CO 0.01 0.21 -0.05 0.93 -2.02 0.00 0.00 178.31 177.39 1dk2 h GLU 26 N 0.00 0.00 -0.45 1.11 4.39 -0.14 -2.95 114.58 116.55 1dk2 h GLU 26 Ca -0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1dk2 h GLU 26 Cb 0.47 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1dk2 h GLU 26 CO 0.03 0.76 0.01 -0.22 -1.16 0.00 0.00 179.01 178.43 1dk2 h LYS 27 N -1.00 0.78 -0.08 2.33 3.64 -1.34 -2.14 116.57 118.75 1dk2 h LYS 27 Ca -0.01 -0.24 0.02 0.00 -1.27 0.00 0.00 60.65 59.15 1dk2 h LYS 27 Cb 0.78 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1dk2 h LYS 27 CO -0.01 0.84 0.09 -0.91 -2.27 0.00 0.00 179.45 177.19 1dk2 h ASN 28 N 0.63 0.00 -3.24 4.20 2.35 -0.47 -3.41 115.58 115.63 1dk2 h ASN 28 Ca 0.13 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.41 1dk2 h ASN 28 Cb 0.48 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.90 1dk2 h ASN 28 CO 0.02 0.00 0.06 -0.69 -1.65 0.00 0.00 177.43 175.17 1dk2 s VAL 29 N -4.70 3.69 0.00 2.81 1.01 -0.81 -5.06 120.40 117.35 1dk2 s VAL 29 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1dk2 s VAL 29 Cb 0.16 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1dk2 s VAL 29 CO 0.57 -0.38 0.03 -0.24 0.00 0.00 0.00 175.10 175.08 1dk2 n SER 30 N -2.38 0.00 -3.20 3.32 2.88 -1.26 -4.29 113.62 108.69 1dk2 n SER 30 Ca 0.04 0.50 -0.35 0.00 -1.33 0.00 0.00 58.87 57.72 1dk2 n SER 30 Cb 0.58 -0.48 -0.04 0.00 -0.75 0.00 0.00 64.21 63.51 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 -1.95 3.42 -2.69 -1.46 -0.06 -1.26 -4.24 117.38 109.13 1dk2 n GLN 31 Ca 0.00 -2.03 -0.07 0.00 -2.00 0.00 0.00 57.00 52.90 1dk2 n GLN 31 Cb 0.00 -2.70 0.08 0.00 -4.06 0.00 0.00 30.24 23.56 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 3.55 2.29 -0.02 1.69 0.00 -1.26 -4.91 120.51 121.86 1dk2 n ALA 32 Ca 0.73 -2.08 0.07 0.00 0.00 0.00 0.00 53.44 52.16 1dk2 n ALA 32 Cb 0.27 -0.96 -0.16 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.46 0.31 0.01 0.00 0.13 -1.26 -3.48 119.36 114.62 1dk2 n ILE 33 Ca 0.01 -0.57 -0.12 0.00 -1.10 0.00 0.00 62.75 60.97 1dk2 n ILE 33 Cb 0.84 -0.12 -0.09 0.00 -0.84 0.00 0.00 39.64 39.42 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 -0.09 0.00 9.51 2.07 -1.95 -3.11 115.15 121.57 1dk2 h HIS 34 Ca -0.10 -0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.38 1dk2 h HIS 34 Cb 1.23 0.03 -0.01 0.00 2.57 0.00 0.00 27.41 31.24 1dk2 h HIS 34 CO 0.00 0.44 -0.18 1.57 -3.07 0.00 0.00 177.93 176.68 1dk2 h LYS 35 N -0.70 0.00 0.00 5.12 -0.00 -1.96 -3.09 116.57 115.95 1dk2 h LYS 35 Ca -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 60.65 60.66 1dk2 h LYS 35 Cb 0.57 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 32.77 1dk2 h LYS 35 CO 0.02 0.18 -0.13 -0.92 -0.00 0.00 0.00 179.45 178.60 1dk2 h TYR 36 N 0.00 -0.34 0.00 0.07 3.20 -1.57 -0.79 116.97 117.54 1dk2 h TYR 36 Ca -0.00 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1dk2 h TYR 36 Cb 0.64 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.06 1dk2 h TYR 36 CO 0.00 -0.20 -0.12 -0.91 -1.64 0.00 0.00 178.16 175.29 1dk2 h ASN 37 N -0.22 0.00 0.25 -2.11 2.35 -1.50 -0.82 115.58 113.53 1dk2 h ASN 37 Ca 0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1dk2 h ASN 37 Cb 0.28 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1dk2 h ASN 37 CO -0.13 0.12 -0.25 0.00 -1.65 0.00 0.00 177.43 175.52 1dk2 h ALA 38 N 1.88 -0.95 0.00 -0.83 0.00 -1.13 -1.05 119.26 117.18 1dk2 h ALA 38 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1dk2 h ALA 38 Cb 0.21 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1dk2 h ALA 38 CO 0.02 -0.96 0.00 1.88 0.00 0.00 0.00 179.25 180.18 1dk2 h TYR 39 N -0.50 0.00 0.21 0.00 -1.99 -1.41 -2.91 116.97 110.38 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 0.43 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.16 1dk2 h TYR 39 CO -0.16 0.00 -0.10 -0.09 -0.00 0.00 0.00 178.16 177.81 1dk2 h ARG 40 N 0.00 -0.27 -0.42 4.88 9.65 -0.68 -0.33 114.38 127.20 1dk2 h ARG 40 Ca 0.00 0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 58.84 1dk2 h ARG 40 Cb 0.50 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.13 1dk2 h ARG 40 CO 0.00 0.11 0.04 1.57 2.80 0.00 0.00 179.97 184.49 1dk2 h LYS 41 N -0.89 0.72 -0.25 0.20 2.10 -1.25 -2.37 116.57 114.84 1dk2 h LYS 41 Ca -0.03 -0.21 -0.03 0.00 -2.00 0.00 0.00 60.65 58.39 1dk2 h LYS 41 Cb 0.51 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.75 1dk2 h LYS 41 CO 0.05 0.77 0.05 0.00 -2.00 0.00 0.00 179.45 178.32 1dk2 h ALA 42 N 0.92 0.32 0.00 0.07 0.00 -1.61 -2.04 119.26 116.92 1dk2 h ALA 42 Ca 0.12 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1dk2 h ALA 42 Cb 0.42 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1dk2 h ALA 42 CO 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 179.25 179.25 1dk2 h ALA 43 N 0.86 1.29 0.00 0.00 0.00 -0.98 -0.52 119.26 119.91 1dk2 h ALA 43 Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1dk2 h ALA 43 Cb 0.31 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1dk2 h ALA 43 CO 0.00 0.01 -0.13 0.77 0.00 0.00 0.00 179.25 179.90 1dk2 h SER 44 N 0.00 0.00 -0.51 0.00 0.02 -0.87 -2.07 113.55 110.12 1dk2 h SER 44 Ca -0.00 -0.69 -0.03 0.00 -0.84 0.00 0.00 61.79 60.23 1dk2 h SER 44 Cb 0.03 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1dk2 h SER 44 CO 0.00 0.92 0.21 1.62 -1.14 0.00 0.00 176.83 178.44 1dk2 h VAL 45 N -1.00 1.21 0.27 2.27 3.04 -1.15 -0.14 116.25 120.76 1dk2 h VAL 45 Ca -0.03 -0.65 -0.01 0.00 -1.01 0.00 0.00 66.70 64.99 1dk2 h VAL 45 Cb 0.78 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 1dk2 h VAL 45 CO -0.02 0.25 -0.13 0.40 -1.01 0.00 0.00 177.57 177.06 1dk2 h ILE 46 N 0.68 0.70 -0.00 3.17 2.04 -1.25 0.69 117.51 123.54 1dk2 h ILE 46 Ca 0.17 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1dk2 h ILE 46 Cb 0.19 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1dk2 h ILE 46 CO -0.01 0.14 0.03 0.00 0.00 0.00 0.00 178.15 178.30 1dk2 h ALA 47 N -0.30 1.12 -0.11 1.87 0.00 -1.37 -1.22 119.26 119.25 1dk2 h ALA 47 Ca -0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1dk2 h ALA 47 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1dk2 h ALA 47 CO 0.06 -0.03 -0.21 1.17 0.00 0.00 0.00 179.25 180.24 1dk2 n LYS 48 N -3.19 1.71 -3.09 0.00 0.00 -0.07 -5.03 118.16 108.49 1dk2 n LYS 48 Ca -0.03 -3.02 -0.39 0.00 0.00 0.00 0.00 58.31 54.87 1dk2 n LYS 48 Cb 0.10 -1.66 -0.06 0.00 0.00 0.00 0.00 35.03 33.41 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 -3.09 3.86 -2.00 5.64 5.04 0.22 -4.93 117.35 122.09 1dk2 s TYR 49 Ca 0.38 1.49 0.07 0.00 -2.44 0.00 0.00 57.07 56.58 1dk2 s TYR 49 Cb 0.35 -2.66 0.22 0.00 0.35 0.00 0.00 41.96 40.22 1dk2 s TYR 49 CO -0.01 0.54 1.18 -0.35 -1.34 0.00 0.00 175.55 175.57 1dk2 n PRO 50 N 1.60 1.53 -4.11 4.97 -0.04 -1.26 -4.90 135.00 132.79 1dk2 n PRO 50 Ca -0.07 -0.83 -0.15 0.00 -0.04 0.00 0.00 63.50 62.40 1dk2 n PRO 50 Cb 0.50 -1.18 -0.05 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.69 1.16 0.21 0.54 3.76 -1.26 -5.17 115.29 112.83 1dk2 s HIS 51 Ca 0.16 -1.35 0.03 0.00 -0.15 0.00 0.00 55.06 53.76 1dk2 s HIS 51 Cb 0.08 -0.16 -0.03 0.00 1.11 0.00 0.00 32.58 33.58 1dk2 s HIS 51 CO 0.11 -1.11 0.35 0.15 -0.85 0.00 0.00 174.74 173.39 1dk2 s LYS 52 N -3.08 3.45 -0.41 1.40 1.02 -1.26 -4.79 119.74 116.07 1dk2 s LYS 52 Ca 0.32 -0.64 -0.13 0.00 0.02 0.00 0.00 55.97 55.54 1dk2 s LYS 52 Cb -0.00 -2.90 0.04 0.00 -0.52 0.00 0.00 37.83 34.45 1dk2 s LYS 52 CO 0.21 0.44 0.27 0.42 -0.92 0.00 0.00 175.35 175.78 1dk2 s ILE 53 N -1.90 4.87 0.00 2.17 1.01 -1.26 -4.99 121.20 121.09 1dk2 s ILE 53 Ca 0.35 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 60.11 1dk2 s ILE 53 Cb -0.10 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.59 1dk2 s ILE 53 CO 0.29 -0.35 0.46 0.29 0.00 0.00 0.00 174.94 175.64 1dk2 n LYS 54 N 5.08 0.00 -4.04 2.79 5.02 -1.26 -4.94 118.16 120.81 1dk2 n LYS 54 Ca -0.11 0.42 -0.28 0.00 -2.02 0.00 0.00 58.31 56.32 1dk2 n LYS 54 Cb 0.46 -1.17 -0.01 0.00 -0.02 0.00 0.00 35.03 34.28 1dk2 n LYS 54 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1dk2 n SER 55 N -1.76 2.92 0.28 4.39 7.64 -1.26 -4.80 113.62 121.04 1dk2 n SER 55 Ca 0.00 -2.99 0.13 0.00 1.01 0.00 0.00 58.87 57.02 1dk2 n SER 55 Cb 0.00 0.04 0.83 0.00 -1.01 0.00 0.00 64.21 64.07 1dk2 n SER 55 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1dk2 h GLY 56 N 0.78 0.00 1.87 0.23 0.00 -1.84 -1.21 103.07 102.90 1dk2 h GLY 56 Ca -0.37 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1dk2 h GLY 56 CO 0.59 0.00 0.05 0.00 0.00 0.00 0.00 176.54 177.17 1dk2 h ALA 57 N 1.99 1.84 0.00 3.60 0.00 -1.94 -0.17 119.26 124.58 1dk2 h ALA 57 Ca -0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1dk2 h ALA 57 Cb 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1dk2 h ALA 57 CO 0.00 0.13 -0.27 0.93 0.00 0.00 0.00 179.25 180.04 1dk2 h GLU 58 N 0.18 0.00 0.00 0.00 3.07 -1.60 -2.15 114.58 114.08 1dk2 h GLU 58 Ca 0.05 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.69 1dk2 h GLU 58 Cb 0.05 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.92 1dk2 h GLU 58 CO -0.00 0.27 -1.35 0.00 -1.40 0.00 0.00 179.01 176.53 1dk2 h ALA 59 N 1.73 0.65 -0.04 3.43 0.00 -1.15 -3.33 119.26 120.54 1dk2 h ALA 59 Ca -0.00 -1.07 -0.25 0.00 0.00 0.00 0.00 54.91 53.58 1dk2 h ALA 59 Cb 0.74 0.24 0.02 0.00 0.00 0.00 0.00 17.79 18.79 1dk2 h ALA 59 CO 0.04 1.22 -0.97 0.87 0.00 0.00 0.00 179.25 180.41 1dk2 h LYS 60 N 0.00 0.73 -0.01 0.00 1.57 -1.10 -3.10 116.57 114.66 1dk2 h LYS 60 Ca -0.16 -0.73 0.00 0.00 -1.87 0.00 0.00 60.65 57.89 1dk2 h LYS 60 Cb 1.77 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 34.28 1dk2 h LYS 60 CO 0.08 1.31 0.01 1.57 -0.57 0.00 0.00 179.45 181.85 1dk2 h LYS 61 N 0.43 0.00 -6.99 3.15 2.10 -1.53 -3.43 116.57 110.30 1dk2 h LYS 61 Ca -0.11 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.00 1dk2 h LYS 61 Cb 1.62 0.00 0.12 0.00 -0.90 0.00 0.00 32.23 33.07 1dk2 h LYS 61 CO 0.19 0.00 0.71 -0.51 -2.00 0.00 0.00 179.45 177.85 1dk2 s LEU 62 N -7.37 4.12 -0.59 7.07 1.43 -1.17 -4.91 118.68 117.25 1dk2 s LEU 62 Ca -0.05 2.95 -0.28 0.00 -1.03 0.00 0.00 54.13 55.72 1dk2 s LEU 62 Cb 0.15 -3.92 0.03 0.00 0.03 0.00 0.00 46.19 42.48 1dk2 s LEU 62 CO 0.52 -1.19 1.19 -2.16 0.23 0.00 0.00 176.35 174.94 1dk2 s PRO 63 N -2.45 3.48 0.00 1.29 0.04 -1.26 -3.27 135.00 132.83 1dk2 s PRO 63 Ca 0.61 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.84 1dk2 s PRO 63 Cb -0.44 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.07 1dk2 s PRO 63 CO 0.57 -1.71 0.00 0.41 0.04 0.00 0.00 177.00 176.31 1dk2 n GLY 64 N 5.09 1.20 3.79 0.56 0.00 -1.26 -4.95 105.19 109.62 1dk2 n GLY 64 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.73 4.84 0.00 1.61 1.01 -1.20 -4.64 120.40 121.28 1dk2 s VAL 65 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1dk2 s VAL 65 Cb 0.00 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1dk2 s VAL 65 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1dk2 n GLY 66 N 2.04 2.84 0.08 4.51 0.00 -1.26 -4.86 105.19 108.54 1dk2 n GLY 66 Ca -0.09 -1.72 -0.05 0.00 0.00 0.00 0.00 46.02 44.16 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 1.09 0.08 2.61 -1.04 -1.26 -3.52 114.28 112.24 1dk2 n THR 67 Ca 0.00 -0.76 -0.03 0.00 -2.04 0.00 0.00 64.05 61.21 1dk2 n THR 67 Cb 0.00 -0.42 -0.02 0.00 -1.82 0.00 0.00 70.33 68.07 1dk2 n THR 67 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1dk2 h LYS 68 N 0.00 -0.21 -0.52 -2.82 1.57 -1.99 0.52 116.57 113.12 1dk2 h LYS 68 Ca -0.38 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1dk2 h LYS 68 Cb 1.91 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 34.24 1dk2 h LYS 68 CO 0.03 -0.14 0.34 0.82 -0.57 0.00 0.00 179.45 179.93 1dk2 h ILE 69 N -0.29 1.13 -0.63 1.86 1.08 -1.91 -1.96 117.51 116.79 1dk2 h ILE 69 Ca -0.02 -0.24 0.05 0.00 -0.39 0.00 0.00 64.86 64.25 1dk2 h ILE 69 Cb 0.17 0.37 -0.04 0.00 -3.07 0.00 0.00 36.82 34.26 1dk2 h ILE 69 CO 0.04 0.13 0.42 0.00 -0.69 0.00 0.00 178.15 178.04 1dk2 h ALA 70 N 1.19 1.72 -0.79 1.87 0.00 -1.64 -0.96 119.26 120.65 1dk2 h ALA 70 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1dk2 h ALA 70 Cb -0.08 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1dk2 h ALA 70 CO -0.04 0.19 0.49 0.93 0.00 0.00 0.00 179.25 180.83 1dk2 h GLU 71 N 0.68 1.05 0.00 0.00 4.39 -0.09 -0.77 114.58 119.85 1dk2 h GLU 71 Ca 0.26 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.83 1dk2 h GLU 71 Cb 0.17 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1dk2 h GLU 71 CO -0.08 0.72 -0.26 -0.22 -1.16 0.00 0.00 179.01 178.02 1dk2 h LYS 72 N 1.08 0.00 -0.03 2.33 3.64 -1.02 -3.08 116.57 119.48 1dk2 h LYS 72 Ca 0.29 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.63 1dk2 h LYS 72 Cb -0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1dk2 h LYS 72 CO -0.06 0.26 -0.12 0.82 -2.27 0.00 0.00 179.45 178.08 1dk2 h ILE 73 N 0.00 1.47 -0.47 2.00 1.08 -0.86 -2.78 117.51 117.96 1dk2 h ILE 73 Ca -0.00 -1.57 0.08 0.00 -0.39 0.00 0.00 64.86 62.98 1dk2 h ILE 73 Cb 0.69 2.42 -0.07 0.00 -3.07 0.00 0.00 36.82 36.79 1dk2 h ILE 73 CO 0.03 0.43 0.06 -0.78 -0.69 0.00 0.00 178.15 177.20 1dk2 h ASP 74 N -0.43 -0.06 0.14 1.72 1.82 -1.37 0.19 116.42 118.43 1dk2 h ASP 74 Ca -0.01 0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 56.70 1dk2 h ASP 74 Cb 0.76 0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.91 1dk2 h ASP 74 CO 0.03 -0.00 -0.11 1.05 -1.61 0.00 0.00 179.24 178.59 1dk2 h GLU 75 N 0.19 0.00 -0.32 0.28 4.11 -1.60 0.45 114.58 117.69 1dk2 h GLU 75 Ca 0.24 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.60 1dk2 h GLU 75 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1dk2 h GLU 75 CO -0.34 0.11 -0.07 0.74 0.07 0.00 0.00 179.01 179.53 1dk2 h PHE 76 N 0.00 0.68 0.00 2.06 0.04 -0.37 -3.03 116.94 116.32 1dk2 h PHE 76 Ca -0.00 -0.14 -0.09 0.00 2.80 0.00 0.00 57.97 60.54 1dk2 h PHE 76 Cb 0.21 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1dk2 h PHE 76 CO 0.00 0.78 -0.54 -0.07 -0.60 0.00 0.00 178.31 177.88 1dk2 h LEU 77 N 0.39 0.00 0.00 1.54 -0.00 -0.51 -3.36 115.31 113.37 1dk2 h LEU 77 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1dk2 h LEU 77 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.22 1dk2 h LEU 77 CO 0.03 0.39 0.00 0.00 -0.00 0.00 0.00 178.44 178.86 1dk2 n ALA 78 N -2.22 -0.07 0.04 1.53 0.00 0.15 -4.85 120.51 115.09 1dk2 n ALA 78 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.44 1dk2 n ALA 78 Cb 0.70 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.15 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 -0.73 1.22 -0.27 0.00 -2.24 -1.18 -5.09 114.28 105.99 1dk2 n THR 79 Ca 0.00 0.38 0.00 0.00 -2.27 0.00 0.00 64.05 62.16 1dk2 n THR 79 Cb 0.00 -1.64 0.00 0.00 -2.10 0.00 0.00 70.33 66.59 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 3.34 0.91 2.69 3.38 0.00 -1.18 -5.01 105.19 109.33 1dk2 n GLY 80 Ca -0.01 -0.73 -0.02 0.00 0.00 0.00 0.00 46.02 45.26 1dk2 n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1dk2 n LYS 81 N -0.27 1.41 -3.73 1.61 2.85 -1.26 -5.06 118.16 113.71 1dk2 n LYS 81 Ca 0.00 -1.57 -0.30 0.00 -1.05 0.00 0.00 58.31 55.39 1dk2 n LYS 81 Cb 0.09 0.12 -0.14 0.00 -0.65 0.00 0.00 35.03 34.45 1dk2 n LYS 81 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1dk2 s LEU 82 N -4.02 2.70 -0.18 -5.58 1.43 -1.26 -4.93 118.68 106.84 1dk2 s LEU 82 Ca 0.12 -2.39 0.19 0.00 -1.03 0.00 0.00 54.13 51.02 1dk2 s LEU 82 Cb 0.43 -1.03 -0.26 0.00 0.03 0.00 0.00 46.19 45.36 1dk2 s LEU 82 CO -0.11 -0.30 0.13 -2.11 0.23 0.00 0.00 176.35 174.18 1dk2 n ARG 83 N 3.86 0.69 -2.93 1.70 1.85 -1.26 -4.88 116.66 115.68 1dk2 n ARG 83 Ca 0.06 -0.03 0.01 0.00 -1.00 0.00 0.00 57.85 56.88 1dk2 n ARG 83 Cb 0.36 -1.52 0.00 0.00 -1.05 0.00 0.00 32.46 30.25 1dk2 n ARG 83 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1dk2 s LYS 84 N -2.63 0.50 0.06 2.89 2.20 -1.26 -5.16 119.74 116.33 1dk2 s LYS 84 Ca -0.10 -0.22 0.02 0.00 -0.36 0.00 0.00 55.97 55.30 1dk2 s LYS 84 Cb 0.07 0.04 -0.03 0.00 -1.51 0.00 0.00 37.83 36.40 1dk2 s LYS 84 CO 0.84 -0.70 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.56 1dk2 s LEU 85 N 1.75 2.36 0.16 5.43 1.02 -1.26 -5.05 118.68 123.11 1dk2 s LEU 85 Ca 0.17 -0.74 -0.04 0.00 0.02 0.00 0.00 54.13 53.53 1dk2 s LEU 85 Cb 0.01 -0.08 0.03 0.00 0.02 0.00 0.00 46.19 46.16 1dk2 s LEU 85 CO -0.11 -0.34 1.43 -0.33 0.02 0.00 0.00 176.35 177.02 1dk2 h GLU 86 N 3.85 0.53 0.00 1.70 5.08 -2.04 -3.53 114.58 120.17 1dk2 h GLU 86 Ca -0.35 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 57.60 1dk2 h GLU 86 Cb 1.18 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1dk2 h GLU 86 CO 0.51 1.03 0.00 1.63 -1.00 0.00 0.00 179.01 181.18