#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 0.16 -0.11 -1.46 -2.85 -1.26 -5.08 119.74 109.14 1dk2 s LYS 3 Ca 0.00 0.27 -0.03 0.00 -1.00 0.00 0.00 55.97 55.21 1dk2 s LYS 3 Cb 0.00 0.03 -0.02 0.00 -2.06 0.00 0.00 37.83 35.78 1dk2 s LYS 3 CO 0.00 -0.03 0.04 0.00 0.10 0.00 0.00 175.35 175.46 1dk2 h ARG 4 N 5.37 0.00 -6.00 1.78 2.47 -2.14 -3.46 114.38 112.41 1dk2 h ARG 4 Ca -0.27 0.00 -0.68 0.00 -1.26 0.00 0.00 59.98 57.78 1dk2 h ARG 4 Cb 1.17 0.00 -0.31 0.00 -1.65 0.00 0.00 29.97 29.18 1dk2 h ARG 4 CO 0.22 0.08 -0.88 -1.59 0.56 0.00 0.00 179.97 178.36 1dk2 s LYS 5 N -1.67 2.40 0.82 0.04 -2.85 -1.26 -5.14 119.74 112.08 1dk2 s LYS 5 Ca -0.03 -0.87 -0.08 0.00 -1.00 0.00 0.00 55.97 53.98 1dk2 s LYS 5 Cb 0.00 -2.07 0.14 0.00 -2.06 0.00 0.00 37.83 33.84 1dk2 s LYS 5 CO 0.08 0.39 1.14 0.00 0.10 0.00 0.00 175.35 177.05 1dk2 s ALA 6 N -0.19 2.98 0.13 0.59 0.00 -1.26 -5.06 121.76 118.95 1dk2 s ALA 6 Ca -0.02 -1.35 -0.24 0.00 0.00 0.00 0.00 51.96 50.35 1dk2 s ALA 6 Cb -0.13 -2.45 -0.07 0.00 0.00 0.00 0.00 23.12 20.47 1dk2 s ALA 6 CO 0.03 -1.83 0.72 -1.25 0.00 0.00 0.00 175.76 173.43 1dk2 s PRO 7 N -5.47 4.47 0.22 0.00 0.04 -1.26 -4.98 135.00 128.02 1dk2 s PRO 7 Ca 0.68 1.04 -0.07 0.00 0.04 0.00 0.00 61.00 62.70 1dk2 s PRO 7 Cb -0.06 -3.26 0.20 0.00 0.04 0.00 0.00 34.50 31.42 1dk2 s PRO 7 CO 0.48 0.57 1.79 1.96 0.04 0.00 0.00 177.00 181.83 1dk2 h GLN 8 N 4.49 1.15 -1.95 4.56 1.08 -2.08 -3.45 115.11 118.91 1dk2 h GLN 8 Ca -0.47 -0.21 -0.04 0.00 -1.45 0.00 0.00 58.65 56.48 1dk2 h GLN 8 Cb 1.21 -0.19 -0.20 0.00 -0.05 0.00 0.00 27.48 28.25 1dk2 h GLN 8 CO 0.66 0.94 0.22 -1.21 -0.95 0.00 0.00 178.83 178.48 1dk2 s GLU 9 N -5.51 0.95 0.95 1.46 2.02 -1.26 -5.17 118.70 112.14 1dk2 s GLU 9 Ca -0.12 0.44 -0.14 0.00 0.02 0.00 0.00 54.97 55.17 1dk2 s GLU 9 Cb 0.16 0.45 0.21 0.00 0.10 0.00 0.00 34.13 35.05 1dk2 s GLU 9 CO 0.83 -0.25 1.29 -0.08 0.02 0.00 0.00 175.26 177.08 1dk2 s THR 10 N -0.76 2.00 -0.00 3.63 -1.32 -1.26 -5.07 115.64 112.86 1dk2 s THR 10 Ca -0.07 -0.11 -0.01 0.00 -1.21 0.00 0.00 61.69 60.29 1dk2 s THR 10 Cb -0.01 -2.89 -0.00 0.00 -1.51 0.00 0.00 72.50 68.08 1dk2 s THR 10 CO 0.07 0.00 -0.01 0.18 -2.21 0.00 0.00 174.62 172.65 1dk2 n LEU 11 N -3.68 0.09 -2.59 9.08 4.77 -1.26 -4.90 117.00 118.51 1dk2 n LEU 11 Ca 0.17 0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 56.02 1dk2 n LEU 11 Cb 0.59 -0.27 0.02 0.00 -2.33 0.00 0.00 43.42 41.44 1dk2 n LEU 11 CO 0.43 -0.50 -0.00 0.59 -1.33 0.00 0.00 177.39 176.58 1dk2 n ASN 12 N -2.59 2.62 -0.23 -1.43 3.02 -1.26 -4.83 115.26 110.56 1dk2 n ASN 12 Ca -0.00 -3.01 0.13 0.00 -0.03 0.00 0.00 54.58 51.67 1dk2 n ASN 12 Cb 0.02 -0.49 0.41 0.00 -0.61 0.00 0.00 39.78 39.10 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 -0.27 -0.65 0.13 7.41 0.00 -1.26 -3.74 105.19 106.81 1dk2 n GLY 13 Ca 0.20 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 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 1.33 -0.65 0.23 -0.02 0.00 -1.26 -3.79 105.19 101.02 1dk2 n GLY 14 Ca 0.13 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 0.05 1.26 -0.56 -0.61 5.03 -1.95 -2.64 117.51 118.09 1dk2 h ILE 15 Ca -0.40 -0.98 0.06 0.00 -0.12 0.00 0.00 64.86 63.42 1dk2 h ILE 15 Cb 2.03 1.02 -0.03 0.00 -3.03 0.00 0.00 36.82 36.80 1dk2 h ILE 15 CO 0.08 0.34 0.37 0.00 -0.68 0.00 0.00 178.15 178.26 1dk2 h THR 16 N 0.62 0.98 -0.14 -0.27 1.03 -1.72 0.12 112.91 113.53 1dk2 h THR 16 Ca 0.13 -0.17 -0.04 0.00 -0.01 0.00 0.00 66.41 66.32 1dk2 h THR 16 Cb 0.45 0.43 -0.01 0.00 -1.07 0.00 0.00 68.15 67.95 1dk2 h THR 16 CO 0.02 0.09 -0.11 0.44 -0.01 0.00 0.00 175.52 175.95 1dk2 h ASP 17 N 0.50 0.19 0.94 0.00 5.19 -1.57 0.42 116.42 122.10 1dk2 h ASP 17 Ca 0.24 -0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 56.56 1dk2 h ASP 17 Cb 0.32 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 1dk2 h ASP 17 CO -0.07 0.33 -1.10 0.24 -3.12 0.00 0.00 179.24 175.53 1dk2 h MET 18 N 0.20 0.00 0.15 3.56 2.86 -0.89 -2.76 114.93 118.05 1dk2 h MET 18 Ca 0.04 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.37 1dk2 h MET 18 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1dk2 h MET 18 CO 0.02 0.11 -1.54 -0.07 1.06 0.00 0.00 176.91 176.50 1dk2 h LEU 19 N 0.00 0.50 -0.50 1.22 3.38 -0.26 -3.13 115.31 116.52 1dk2 h LEU 19 Ca -0.06 -0.66 -0.15 0.00 0.09 0.00 0.00 57.88 57.10 1dk2 h LEU 19 Cb 1.22 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1dk2 h LEU 19 CO 0.02 1.54 -0.74 0.58 0.09 0.00 0.00 178.44 179.94 1dk2 h VAL 20 N 0.09 1.51 0.43 1.22 2.07 -0.31 -1.24 116.25 120.00 1dk2 h VAL 20 Ca -0.25 -2.54 -0.02 0.00 0.82 0.00 0.00 66.70 64.70 1dk2 h VAL 20 Cb 2.05 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 34.20 1dk2 h VAL 20 CO 0.19 0.72 -0.20 -0.08 0.02 0.00 0.00 177.57 178.21 1dk2 h GLU 21 N 0.00 -0.55 -0.04 1.57 4.81 -1.55 -2.71 114.58 116.11 1dk2 h GLU 21 Ca -0.01 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1dk2 h GLU 21 Cb 1.32 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 1dk2 h GLU 21 CO 0.10 -0.37 -0.19 1.37 -0.73 0.00 0.00 179.01 179.18 1dk2 h LEU 22 N -0.73 0.05 -0.62 1.64 8.10 -1.66 -2.64 115.31 119.46 1dk2 h LEU 22 Ca -0.06 -0.01 0.11 0.00 0.11 0.00 0.00 57.88 58.03 1dk2 h LEU 22 Cb 0.44 -0.01 -0.08 0.00 -0.44 0.00 0.00 40.66 40.56 1dk2 h LEU 22 CO 0.10 0.25 0.18 0.00 -4.11 0.00 0.00 178.44 174.86 1dk2 h ALA 23 N 1.75 0.77 -0.58 0.17 0.00 -1.18 0.25 119.26 120.44 1dk2 h ALA 23 Ca 0.01 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1dk2 h ALA 23 Cb 0.38 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1dk2 h ALA 23 CO 0.03 -0.26 0.22 -0.97 0.00 0.00 0.00 179.25 178.27 1dk2 h ASN 24 N 0.33 0.78 0.24 0.00 -0.73 -1.13 -0.37 115.58 114.70 1dk2 h ASN 24 Ca 0.32 -0.11 -0.00 0.00 1.87 0.00 0.00 56.30 58.39 1dk2 h ASN 24 Cb 0.45 -0.20 -0.00 0.00 0.27 0.00 0.00 38.32 38.84 1dk2 h ASN 24 CO -0.37 0.71 -0.00 0.15 -0.37 0.00 0.00 177.43 177.55 1dk2 h PHE 25 N 0.84 0.00 0.04 0.67 3.57 -0.48 0.47 116.94 122.05 1dk2 h PHE 25 Ca 0.20 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 1dk2 h PHE 25 Cb 0.18 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1dk2 h PHE 25 CO 0.01 0.00 -0.02 0.93 -2.23 0.00 0.00 178.31 177.01 1dk2 h GLU 26 N 0.00 -0.06 -0.39 1.11 4.39 -0.10 -3.01 114.58 116.52 1dk2 h GLU 26 Ca -0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 1dk2 h GLU 26 Cb 0.13 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1dk2 h GLU 26 CO 0.00 0.17 -0.30 -0.22 -1.16 0.00 0.00 179.01 177.51 1dk2 h LYS 27 N -1.00 0.84 -0.09 2.33 3.64 -1.38 -2.61 116.57 118.31 1dk2 h LYS 27 Ca -0.01 -0.39 0.02 0.00 -1.27 0.00 0.00 60.65 59.01 1dk2 h LYS 27 Cb 0.25 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1dk2 h LYS 27 CO 0.01 1.03 0.08 -0.91 -2.27 0.00 0.00 179.45 177.39 1dk2 h ASN 28 N 0.71 0.00 -3.25 4.20 4.21 -0.20 -3.41 115.58 117.84 1dk2 h ASN 28 Ca 0.08 0.00 -0.47 0.00 1.21 0.00 0.00 56.30 57.12 1dk2 h ASN 28 Cb 0.85 0.00 0.04 0.00 -1.12 0.00 0.00 38.32 38.09 1dk2 h ASN 28 CO 0.07 0.00 0.05 -0.69 -1.29 0.00 0.00 177.43 175.58 1dk2 s VAL 29 N -4.76 3.93 0.00 2.81 1.01 -0.98 -5.05 120.40 117.36 1dk2 s VAL 29 Ca -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1dk2 s VAL 29 Cb 0.16 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1dk2 s VAL 29 CO 0.59 -0.45 0.15 -0.24 0.00 0.00 0.00 175.10 175.15 1dk2 n SER 30 N -2.33 0.00 -3.41 3.32 2.88 -1.26 -4.24 113.62 108.58 1dk2 n SER 30 Ca 0.03 0.58 -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 3.98 -2.94 -1.46 3.00 -1.26 -4.53 117.38 112.17 1dk2 n GLN 31 Ca 0.00 -2.72 -0.14 0.00 -0.01 0.00 0.00 57.00 54.13 1dk2 n GLN 31 Cb 0.00 -2.77 0.01 0.00 0.00 0.00 0.00 30.24 27.48 1dk2 n GLN 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1dk2 n ALA 32 N 3.05 0.36 -0.05 -1.58 0.00 -1.26 -4.94 120.51 116.09 1dk2 n ALA 32 Ca 0.70 -2.31 -0.06 0.00 0.00 0.00 0.00 53.44 51.78 1dk2 n ALA 32 Cb 0.25 -1.09 -0.07 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 1.13 0.69 -0.02 0.00 0.13 -1.26 -3.14 119.36 116.90 1dk2 n ILE 33 Ca 0.14 -0.39 -0.11 0.00 -1.10 0.00 0.00 62.75 61.29 1dk2 n ILE 33 Cb 0.62 -0.78 -0.05 0.00 -0.84 0.00 0.00 39.64 38.59 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 0.17 0.00 9.51 2.07 -1.95 -1.71 115.15 123.25 1dk2 h HIS 34 Ca -0.27 -0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.24 1dk2 h HIS 34 Cb 1.58 -0.06 -0.00 0.00 2.57 0.00 0.00 27.41 31.50 1dk2 h HIS 34 CO 0.00 0.19 -0.03 1.57 -3.07 0.00 0.00 177.93 176.59 1dk2 h LYS 35 N 0.11 0.00 0.02 5.12 -0.00 -1.96 -3.19 116.57 116.66 1dk2 h LYS 35 Ca 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.69 1dk2 h LYS 35 Cb 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.30 1dk2 h LYS 35 CO -0.01 0.03 -0.01 -0.92 -0.00 0.00 0.00 179.45 178.54 1dk2 h TYR 36 N 0.00 -0.03 -0.38 0.07 3.20 -1.45 -2.22 116.97 116.16 1dk2 h TYR 36 Ca -0.00 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.98 1dk2 h TYR 36 Cb 0.55 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1dk2 h TYR 36 CO 0.00 -0.02 0.44 -0.91 -1.64 0.00 0.00 178.16 176.03 1dk2 h ASN 37 N -0.03 0.00 0.16 -2.11 4.21 -1.62 0.19 115.58 116.38 1dk2 h ASN 37 Ca -0.00 0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.52 1dk2 h ASN 37 Cb 0.02 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.19 1dk2 h ASN 37 CO 0.00 0.00 -0.31 0.00 -1.29 0.00 0.00 177.43 175.83 1dk2 h ALA 38 N 1.48 -0.56 0.00 -0.83 0.00 -1.39 0.53 119.26 118.49 1dk2 h ALA 38 Ca 0.18 -0.06 -0.28 0.00 0.00 0.00 0.00 54.91 54.75 1dk2 h ALA 38 Cb 1.05 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 19.28 1dk2 h ALA 38 CO -0.00 -0.86 -1.68 0.66 0.00 0.00 0.00 179.25 177.37 1dk2 n TYR 39 N -5.41 1.02 -0.15 0.00 4.02 -0.68 -2.85 117.16 113.10 1dk2 n TYR 39 Ca -0.07 0.37 -0.09 0.00 -0.01 0.00 0.00 57.90 58.10 1dk2 n TYR 39 Cb 0.32 -1.18 0.00 0.00 -0.02 0.00 0.00 39.34 38.46 1dk2 n TYR 39 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1dk2 h ARG 40 N 0.00 0.65 0.00 -0.72 1.12 -0.62 0.26 114.38 115.07 1dk2 h ARG 40 Ca -0.27 -0.11 -0.22 0.00 -1.11 0.00 0.00 59.98 58.26 1dk2 h ARG 40 Cb 1.98 -0.11 0.02 0.00 -0.01 0.00 0.00 29.97 31.85 1dk2 h ARG 40 CO 0.08 0.59 -0.86 -0.22 -3.11 0.00 0.00 179.97 176.45 1dk2 h LYS 41 N 0.57 0.58 -0.10 0.20 3.64 -1.04 -2.70 116.57 117.71 1dk2 h LYS 41 Ca 0.15 -0.62 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1dk2 h LYS 41 Cb 0.18 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1dk2 h LYS 41 CO -0.01 1.24 0.04 0.00 -2.27 0.00 0.00 179.45 178.45 1dk2 h ALA 42 N 0.36 0.13 0.00 5.00 0.00 -1.43 -1.03 119.26 122.29 1dk2 h ALA 42 Ca -0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1dk2 h ALA 42 Cb 1.54 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1dk2 h ALA 42 CO 0.17 -0.30 -0.07 0.00 0.00 0.00 0.00 179.25 179.04 1dk2 h ALA 43 N 0.90 1.58 0.01 0.00 0.00 -0.57 -0.01 119.26 121.18 1dk2 h ALA 43 Ca 0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1dk2 h ALA 43 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1dk2 h ALA 43 CO -0.00 0.09 -0.01 1.03 0.00 0.00 0.00 179.25 180.36 1dk2 h SER 44 N 0.00 -0.01 -0.33 0.00 0.87 -1.06 -1.19 113.55 111.82 1dk2 h SER 44 Ca -0.00 -0.75 -0.07 0.00 -1.23 0.00 0.00 61.79 59.75 1dk2 h SER 44 Cb 0.16 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1dk2 h SER 44 CO 0.01 0.76 -0.05 1.62 -0.53 0.00 0.00 176.83 178.65 1dk2 h VAL 45 N -0.82 1.27 0.24 2.23 3.04 -1.00 -1.29 116.25 119.92 1dk2 h VAL 45 Ca -0.00 -1.07 -0.01 0.00 -1.01 0.00 0.00 66.70 64.61 1dk2 h VAL 45 Cb 0.76 1.29 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 1dk2 h VAL 45 CO 0.00 0.35 -0.11 0.40 -1.01 0.00 0.00 177.57 177.20 1dk2 h ILE 46 N 0.41 0.81 -0.00 3.17 2.04 -1.12 0.15 117.51 122.96 1dk2 h ILE 46 Ca 0.09 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1dk2 h ILE 46 Cb 0.53 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1dk2 h ILE 46 CO 0.03 0.15 0.01 0.00 0.00 0.00 0.00 178.15 178.34 1dk2 h ALA 47 N -0.12 1.14 -0.07 1.87 0.00 -1.26 -1.29 119.26 119.53 1dk2 h ALA 47 Ca -0.03 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1dk2 h ALA 47 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1dk2 h ALA 47 CO 0.05 -0.01 -0.34 1.17 0.00 0.00 0.00 179.25 180.12 1dk2 n LYS 48 N -3.26 1.63 -3.14 0.00 4.81 -0.49 -4.99 118.16 112.72 1dk2 n LYS 48 Ca -0.03 -3.18 -0.39 0.00 -0.87 0.00 0.00 58.31 53.85 1dk2 n LYS 48 Cb 0.09 -1.65 -0.06 0.00 0.02 0.00 0.00 35.03 33.43 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 -3.18 3.84 -1.98 5.64 5.04 0.49 -4.92 117.35 122.28 1dk2 s TYR 49 Ca 0.39 1.42 0.07 0.00 -2.44 0.00 0.00 57.07 56.51 1dk2 s TYR 49 Cb 0.36 -2.62 0.20 0.00 0.35 0.00 0.00 41.96 40.25 1dk2 s TYR 49 CO -0.04 0.54 1.16 -0.35 -1.34 0.00 0.00 175.55 175.52 1dk2 n PRO 50 N 1.76 1.53 -4.10 4.97 -0.04 -1.26 -4.90 135.00 132.96 1dk2 n PRO 50 Ca -0.08 -0.81 -0.13 0.00 -0.04 0.00 0.00 63.50 62.44 1dk2 n PRO 50 Cb 0.50 -1.18 -0.06 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.70 0.96 0.73 0.54 3.76 -1.26 -5.17 115.29 113.15 1dk2 s HIS 51 Ca 0.15 -1.20 -0.01 0.00 -0.15 0.00 0.00 55.06 53.85 1dk2 s HIS 51 Cb 0.08 -0.14 0.13 0.00 1.11 0.00 0.00 32.58 33.76 1dk2 s HIS 51 CO 0.10 -1.00 1.01 0.15 -0.85 0.00 0.00 174.74 174.15 1dk2 s LYS 52 N -3.49 1.63 -0.18 1.40 1.02 -1.26 -4.88 119.74 113.97 1dk2 s LYS 52 Ca 0.31 -1.10 0.01 0.00 0.02 0.00 0.00 55.97 55.20 1dk2 s LYS 52 Cb 0.01 -2.31 0.03 0.00 -0.52 0.00 0.00 37.83 35.03 1dk2 s LYS 52 CO 0.17 -1.49 -0.16 0.42 -0.92 0.00 0.00 175.35 173.36 1dk2 s ILE 53 N -3.17 1.88 0.03 2.17 1.01 -1.26 -5.01 121.20 116.85 1dk2 s ILE 53 Ca 0.67 -0.92 -0.18 0.00 0.00 0.00 0.00 60.65 60.21 1dk2 s ILE 53 Cb -0.05 -1.77 -0.22 0.00 0.01 0.00 0.00 42.46 40.43 1dk2 s ILE 53 CO 0.45 0.42 1.16 0.50 0.00 0.00 0.00 174.94 177.46 1dk2 h LYS 54 N 7.96 0.50 0.00 2.79 3.64 -1.98 -3.48 116.57 126.00 1dk2 h LYS 54 Ca -0.39 -0.49 -0.19 0.00 -1.27 0.00 0.00 60.65 58.30 1dk2 h LYS 54 Cb 1.12 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 33.03 1dk2 h LYS 54 CO 0.57 1.13 -0.01 0.45 -2.27 0.00 0.00 179.45 179.32 1dk2 n SER 55 N -4.16 -1.63 0.23 4.20 2.88 -1.26 -5.00 113.62 108.89 1dk2 n SER 55 Ca -0.10 -2.76 0.15 0.00 -1.33 0.00 0.00 58.87 54.83 1dk2 n SER 55 Cb 0.69 2.90 0.81 0.00 -0.75 0.00 0.00 64.21 67.86 1dk2 n SER 55 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1dk2 h GLY 56 N 1.94 0.00 1.90 0.46 0.00 -1.82 -0.32 103.07 105.23 1dk2 h GLY 56 Ca -0.29 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1dk2 h GLY 56 CO 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 176.54 176.92 1dk2 h ALA 57 N 1.90 1.83 0.00 3.60 0.00 -1.95 -0.12 119.26 124.52 1dk2 h ALA 57 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1dk2 h ALA 57 Cb 0.25 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1dk2 h ALA 57 CO -0.00 0.13 -0.06 0.93 0.00 0.00 0.00 179.25 180.25 1dk2 h GLU 58 N 0.13 0.00 0.00 0.00 3.07 -1.44 -2.96 114.58 113.37 1dk2 h GLU 58 Ca 0.03 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.72 1dk2 h GLU 58 Cb 0.09 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 1dk2 h GLU 58 CO 0.00 0.06 -1.18 0.00 -1.40 0.00 0.00 179.01 176.49 1dk2 h ALA 59 N 1.94 0.64 -0.09 3.43 0.00 -1.09 -3.33 119.26 120.76 1dk2 h ALA 59 Ca -0.00 -0.83 -0.19 0.00 0.00 0.00 0.00 54.91 53.89 1dk2 h ALA 59 Cb 0.71 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.68 1dk2 h ALA 59 CO 0.01 0.96 -0.70 -0.22 0.00 0.00 0.00 179.25 179.29 1dk2 h LYS 60 N 0.00 0.64 -0.01 0.00 3.11 -1.28 -3.08 116.57 115.95 1dk2 h LYS 60 Ca -0.12 -0.56 0.00 0.00 -2.81 0.00 0.00 60.65 57.16 1dk2 h LYS 60 Cb 1.60 0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 32.96 1dk2 h LYS 60 CO 0.06 1.18 0.02 1.57 -2.81 0.00 0.00 179.45 179.47 1dk2 h LYS 61 N 0.29 0.00 -6.98 1.90 2.10 -1.66 -3.43 116.57 108.79 1dk2 h LYS 61 Ca -0.06 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.05 1dk2 h LYS 61 Cb 1.35 0.00 0.12 0.00 -0.90 0.00 0.00 32.23 32.80 1dk2 h LYS 61 CO 0.14 0.00 0.72 -0.51 -2.00 0.00 0.00 179.45 177.80 1dk2 s LEU 62 N -7.45 4.14 -0.50 7.07 1.43 -1.16 -4.92 118.68 117.29 1dk2 s LEU 62 Ca -0.05 2.95 -0.29 0.00 -1.03 0.00 0.00 54.13 55.72 1dk2 s LEU 62 Cb 0.15 -3.89 0.03 0.00 0.03 0.00 0.00 46.19 42.51 1dk2 s LEU 62 CO 0.53 -1.14 1.16 -2.16 0.23 0.00 0.00 176.35 174.96 1dk2 s PRO 63 N -2.40 3.67 0.00 1.29 0.04 -1.26 -3.28 135.00 133.06 1dk2 s PRO 63 Ca 0.60 0.49 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1dk2 s PRO 63 Cb -0.44 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.16 1dk2 s PRO 63 CO 0.58 -1.46 0.00 0.41 0.04 0.00 0.00 177.00 176.56 1dk2 n GLY 64 N 4.91 1.21 3.79 0.56 0.00 -1.26 -4.93 105.19 109.47 1dk2 n GLY 64 Ca 0.11 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 -0.93 4.86 0.00 1.61 1.01 -1.21 -4.54 120.40 121.20 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 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1dk2 n GLY 66 N 2.12 1.46 0.10 4.51 0.00 -1.26 -4.87 105.19 107.24 1dk2 n GLY 66 Ca -0.09 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 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 1.42 -0.06 2.61 5.66 -1.26 -3.51 114.28 119.14 1dk2 n THR 67 Ca 0.00 -0.84 -0.14 0.00 -3.05 0.00 0.00 64.05 60.02 1dk2 n THR 67 Cb 0.00 -0.57 -0.07 0.00 -1.55 0.00 0.00 70.33 68.15 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 0.50 -0.18 1.09 2.10 -1.99 -1.95 116.57 116.14 1dk2 h LYS 68 Ca -0.49 -0.31 -0.09 0.00 -2.00 0.00 0.00 60.65 57.76 1dk2 h LYS 68 Cb 2.19 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 33.55 1dk2 h LYS 68 CO 0.04 0.91 -0.23 0.82 -2.00 0.00 0.00 179.45 178.99 1dk2 h ILE 69 N 0.13 1.34 -0.81 0.07 1.08 -1.89 -2.74 117.51 114.69 1dk2 h ILE 69 Ca 0.01 -1.42 0.03 0.00 -0.39 0.00 0.00 64.86 63.09 1dk2 h ILE 69 Cb 0.87 1.85 -0.05 0.00 -3.07 0.00 0.00 36.82 36.42 1dk2 h ILE 69 CO 0.07 0.43 0.52 0.00 -0.69 0.00 0.00 178.15 178.47 1dk2 h ALA 70 N 0.61 1.06 -0.70 1.87 0.00 -1.61 -1.51 119.26 118.99 1dk2 h ALA 70 Ca 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1dk2 h ALA 70 Cb 0.79 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1dk2 h ALA 70 CO 0.05 0.34 0.37 0.93 0.00 0.00 0.00 179.25 180.94 1dk2 h GLU 71 N 1.01 0.97 -0.20 0.00 4.39 -1.31 -1.58 114.58 117.85 1dk2 h GLU 71 Ca 0.32 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.88 1dk2 h GLU 71 Cb 0.01 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.45 1dk2 h GLU 71 CO -0.11 0.72 -0.03 0.87 -1.16 0.00 0.00 179.01 179.30 1dk2 h LYS 72 N 0.97 0.30 -0.54 2.33 1.57 -0.97 -2.30 116.57 117.93 1dk2 h LYS 72 Ca 0.25 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1dk2 h LYS 72 Cb 0.04 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1dk2 h LYS 72 CO -0.04 0.35 0.18 0.82 -0.57 0.00 0.00 179.45 180.20 1dk2 h ILE 73 N 0.29 1.23 -0.92 1.86 1.08 -0.87 -2.56 117.51 117.62 1dk2 h ILE 73 Ca 0.07 -0.76 0.09 0.00 -0.39 0.00 0.00 64.86 63.87 1dk2 h ILE 73 Cb 0.25 0.71 -0.07 0.00 -3.07 0.00 0.00 36.82 34.64 1dk2 h ILE 73 CO 0.01 0.28 0.57 -0.78 -0.69 0.00 0.00 178.15 177.54 1dk2 h ASP 74 N 0.73 0.86 0.14 1.72 1.82 -1.27 0.17 116.42 120.59 1dk2 h ASP 74 Ca 0.17 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.82 1dk2 h ASP 74 Cb 0.25 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.12 1dk2 h ASP 74 CO -0.01 0.51 -0.13 -0.33 -1.61 0.00 0.00 179.24 177.67 1dk2 h GLU 75 N 0.97 0.00 0.12 0.28 5.08 -1.35 0.45 114.58 120.14 1dk2 h GLU 75 Ca 0.43 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.78 1dk2 h GLU 75 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1dk2 h GLU 75 CO -0.22 0.13 -0.06 0.74 -1.00 0.00 0.00 179.01 178.60 1dk2 h PHE 76 N 0.00 -0.16 0.00 4.33 -1.00 -0.44 -3.05 116.94 116.62 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 0.23 0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.83 1dk2 h PHE 76 CO 0.00 0.29 -0.34 -0.07 -1.61 0.00 0.00 178.31 176.58 1dk2 h LEU 77 N -0.68 0.00 0.00 1.54 -0.00 -1.07 -3.31 115.31 111.79 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 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 1dk2 h LEU 77 CO 0.03 0.34 0.00 0.00 -0.00 0.00 0.00 178.44 178.80 1dk2 n ALA 78 N -2.27 -0.02 0.02 1.53 0.00 0.15 -4.85 120.51 115.07 1dk2 n ALA 78 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1dk2 n ALA 78 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.55 1.16 -1.72 0.00 -2.24 -1.19 -5.08 114.28 104.66 1dk2 n THR 79 Ca 0.00 0.32 -0.01 0.00 -2.27 0.00 0.00 64.05 62.09 1dk2 n THR 79 Cb 0.00 -1.69 0.01 0.00 -2.10 0.00 0.00 70.33 66.55 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 3.05 0.68 2.89 3.38 0.00 -1.16 -5.00 105.19 109.02 1dk2 n GLY 80 Ca -0.03 -0.22 -0.12 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 -3.25 0.07 -0.40 1.61 1.02 -1.26 -5.06 119.74 112.47 1dk2 s LYS 81 Ca 0.04 -0.04 0.10 0.00 0.02 0.00 0.00 55.97 56.09 1dk2 s LYS 81 Cb -0.01 -0.06 0.42 0.00 -0.52 0.00 0.00 37.83 37.67 1dk2 s LYS 81 CO 0.07 0.01 1.01 1.28 -0.92 0.00 0.00 175.35 176.81 1dk2 n LEU 82 N 3.02 3.21 0.00 3.17 4.77 -1.26 -4.87 117.00 125.03 1dk2 n LEU 82 Ca -0.12 -4.67 0.00 0.00 -0.03 0.00 0.00 56.01 51.19 1dk2 n LEU 82 Cb 0.60 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1dk2 n LEU 82 CO 0.26 1.99 0.14 0.54 -1.33 0.00 0.00 177.39 178.99 1dk2 n ARG 83 N -0.26 0.00 -0.06 3.23 5.12 -1.26 -4.77 116.66 118.66 1dk2 n ARG 83 Ca 0.26 0.40 -0.09 0.00 -1.93 0.00 0.00 57.85 56.49 1dk2 n ARG 83 Cb 0.70 -1.05 -0.06 0.00 -1.16 0.00 0.00 32.46 30.89 1dk2 n ARG 83 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1dk2 n LYS 84 N -1.69 0.30 -2.24 5.56 4.81 -1.26 -4.98 118.16 118.66 1dk2 n LYS 84 Ca 0.00 0.08 -0.41 0.00 -0.87 0.00 0.00 58.31 57.11 1dk2 n LYS 84 Cb 0.00 -1.21 -0.03 0.00 0.02 0.00 0.00 35.03 33.81 1dk2 n LYS 84 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1dk2 s LEU 85 N -5.86 4.43 -0.22 3.14 1.02 -1.26 -4.94 118.68 114.99 1dk2 s LEU 85 Ca -0.17 2.39 -0.13 0.00 0.02 0.00 0.00 54.13 56.25 1dk2 s LEU 85 Cb 0.05 -3.61 -0.18 0.00 0.02 0.00 0.00 46.19 42.46 1dk2 s LEU 85 CO 0.28 -0.49 0.02 1.21 0.02 0.00 0.00 176.35 177.39 1dk2 n GLU 86 N 2.41 0.63 0.00 1.70 0.00 -1.26 -4.64 120.64 119.48 1dk2 n GLU 86 Ca 0.05 0.36 0.15 0.00 0.00 0.00 0.00 57.16 57.72 1dk2 n GLU 86 Cb 0.43 -1.63 0.81 0.00 0.00 0.00 0.00 31.44 31.05 1dk2 n GLU 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30