#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 -4.09 -0.81 4.33 5.02 -1.26 -4.81 118.16 116.54 1dk2 n LYS 3 Ca 0.00 3.15 0.11 0.00 -2.02 0.00 0.00 58.31 59.55 1dk2 n LYS 3 Cb 0.00 -5.22 -0.03 0.00 -0.02 0.00 0.00 35.03 29.76 1dk2 n LYS 3 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1dk2 n ARG 4 N 1.24 -1.63 -4.13 1.97 1.74 -1.26 -4.91 116.66 109.68 1dk2 n ARG 4 Ca -0.22 1.07 -0.16 0.00 -0.77 0.00 0.00 57.85 57.77 1dk2 n ARG 4 Cb 0.35 -1.99 -0.12 0.00 -1.02 0.00 0.00 32.46 29.68 1dk2 n ARG 4 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1dk2 s LYS 5 N -1.25 0.71 1.04 5.56 -2.85 -1.26 -5.15 119.74 116.54 1dk2 s LYS 5 Ca 0.00 -0.89 -0.15 0.00 -1.00 0.00 0.00 55.97 53.94 1dk2 s LYS 5 Cb 0.00 -0.64 0.21 0.00 -2.06 0.00 0.00 37.83 35.34 1dk2 s LYS 5 CO 0.00 0.14 1.13 0.00 0.10 0.00 0.00 175.35 176.71 1dk2 s ALA 6 N -1.32 1.14 0.67 0.59 0.00 -1.26 -5.07 121.76 116.52 1dk2 s ALA 6 Ca -0.05 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1dk2 s ALA 6 Cb -0.10 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1dk2 s ALA 6 CO 0.02 -2.90 0.00 -0.35 0.00 0.00 0.00 175.76 172.53 1dk2 n PRO 7 N -4.22 0.92 -1.25 0.00 -0.04 -1.26 -5.06 135.00 124.09 1dk2 n PRO 7 Ca 0.08 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.24 1dk2 n PRO 7 Cb 0.59 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.15 1dk2 n PRO 7 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1dk2 s GLN 8 N -1.04 1.90 -0.26 0.54 -0.21 -1.26 -4.99 119.66 114.33 1dk2 s GLN 8 Ca 0.00 1.02 0.22 0.00 0.02 0.00 0.00 55.36 56.62 1dk2 s GLN 8 Cb 0.00 -1.87 0.51 0.00 1.00 0.00 0.00 33.01 32.65 1dk2 s GLN 8 CO 0.00 -1.85 1.12 0.39 -2.12 0.00 0.00 175.29 172.83 1dk2 n GLU 9 N -3.64 1.90 -1.49 2.91 4.71 -1.26 -4.87 120.64 118.90 1dk2 n GLU 9 Ca 0.08 -3.57 -0.24 0.00 -0.01 0.00 0.00 57.16 53.42 1dk2 n GLU 9 Cb 0.54 -1.67 0.09 0.00 -1.01 0.00 0.00 31.44 29.38 1dk2 n GLU 9 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1dk2 n THR 10 N -0.61 2.96 0.00 2.62 -2.24 -1.26 -4.78 114.28 110.97 1dk2 n THR 10 Ca 0.10 -3.36 -0.00 0.00 -2.27 0.00 0.00 64.05 58.52 1dk2 n THR 10 Cb 0.82 -0.94 -0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1dk2 n THR 10 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1dk2 h LEU 11 N 1.82 -0.01 -3.91 3.22 3.38 -1.90 -3.31 115.31 114.60 1dk2 h LEU 11 Ca 0.44 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.79 1dk2 h LEU 11 Cb 1.37 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.86 1dk2 h LEU 11 CO 0.99 -0.00 0.80 -0.46 0.09 0.00 0.00 178.44 179.86 1dk2 n ASN 12 N -2.04 7.46 -0.39 -0.43 0.23 -1.26 -4.47 115.26 114.37 1dk2 n ASN 12 Ca -0.00 -3.66 0.14 0.00 -0.53 0.00 0.00 54.58 50.53 1dk2 n ASN 12 Cb 0.00 -0.99 0.59 0.00 -2.08 0.00 0.00 39.78 37.30 1dk2 n ASN 12 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1dk2 n GLY 13 N -0.70 -0.18 0.10 4.83 0.00 -1.25 -3.81 105.19 104.19 1dk2 n GLY 13 Ca 0.57 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 1.13 -0.83 0.23 -0.02 0.00 -1.26 -3.73 105.19 100.70 1dk2 n GLY 14 Ca 0.19 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 0.03 1.29 -0.09 -0.61 5.03 -1.92 -2.88 117.51 118.36 1dk2 h ILE 15 Ca -0.35 -1.43 -0.01 0.00 -0.12 0.00 0.00 64.86 62.95 1dk2 h ILE 15 Cb 2.03 1.49 -0.01 0.00 -3.03 0.00 0.00 36.82 37.30 1dk2 h ILE 15 CO 0.08 0.47 0.02 0.00 -0.68 0.00 0.00 178.15 178.03 1dk2 h THR 16 N 0.53 1.05 -0.68 -0.27 1.03 -1.72 0.28 112.91 113.12 1dk2 h THR 16 Ca 0.06 -0.16 -0.06 0.00 -0.01 0.00 0.00 66.41 66.23 1dk2 h THR 16 Cb 0.84 0.96 -0.03 0.00 -1.07 0.00 0.00 68.15 68.86 1dk2 h THR 16 CO 0.07 0.06 0.18 0.44 -0.01 0.00 0.00 175.52 176.26 1dk2 h ASP 17 N 0.12 1.01 1.64 0.00 5.19 -1.59 0.12 116.42 122.91 1dk2 h ASP 17 Ca 0.03 -0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 1dk2 h ASP 17 Cb 0.05 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.30 1dk2 h ASP 17 CO -0.00 0.96 -0.29 0.24 -3.12 0.00 0.00 179.24 177.03 1dk2 h MET 18 N 1.03 0.00 0.19 3.56 2.86 -1.24 -2.81 114.93 118.52 1dk2 h MET 18 Ca 0.22 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.55 1dk2 h MET 18 Cb 0.34 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.02 1dk2 h MET 18 CO -0.00 0.00 -1.39 -0.07 1.06 0.00 0.00 176.91 176.51 1dk2 h LEU 19 N 0.00 0.64 -0.91 1.22 3.38 -0.42 -3.12 115.31 116.10 1dk2 h LEU 19 Ca 0.00 -0.69 -0.10 0.00 0.09 0.00 0.00 57.88 57.18 1dk2 h LEU 19 Cb 0.97 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1dk2 h LEU 19 CO 0.00 1.55 -0.47 0.58 0.09 0.00 0.00 178.44 180.18 1dk2 h VAL 20 N 0.11 1.15 0.13 1.22 2.07 -0.83 -2.24 116.25 117.86 1dk2 h VAL 20 Ca -0.20 -1.73 -0.01 0.00 0.82 0.00 0.00 66.70 65.58 1dk2 h VAL 20 Cb 2.08 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.83 1dk2 h VAL 20 CO 0.24 0.46 -0.06 -0.08 0.02 0.00 0.00 177.57 178.15 1dk2 h GLU 21 N 0.00 -0.17 -0.32 1.57 4.81 -1.48 -2.62 114.58 116.36 1dk2 h GLU 21 Ca -0.00 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1dk2 h GLU 21 Cb 0.95 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 1dk2 h GLU 21 CO 0.06 -0.11 0.22 1.37 -0.73 0.00 0.00 179.01 179.82 1dk2 h LEU 22 N -0.24 0.11 -1.26 1.64 -0.00 -1.65 -0.05 115.31 113.85 1dk2 h LEU 22 Ca -0.02 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 57.96 1dk2 h LEU 22 Cb 0.14 -0.02 -0.06 0.00 -0.00 0.00 0.00 40.66 40.71 1dk2 h LEU 22 CO 0.03 0.07 0.55 0.00 -0.00 0.00 0.00 178.44 179.09 1dk2 h ALA 23 N 1.83 1.70 -0.52 0.17 0.00 -1.38 0.11 119.26 121.19 1dk2 h ALA 23 Ca 0.15 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1dk2 h ALA 23 Cb 0.44 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1dk2 h ALA 23 CO -0.02 0.11 -0.10 -2.95 0.00 0.00 0.00 179.25 176.30 1dk2 h ASN 24 N 0.81 0.98 0.15 0.00 -1.07 -0.61 -2.01 115.58 113.84 1dk2 h ASN 24 Ca 0.40 -0.35 -0.01 0.00 0.07 0.00 0.00 56.30 56.41 1dk2 h ASN 24 Cb 0.46 -0.27 -0.00 0.00 -2.07 0.00 0.00 38.32 36.44 1dk2 h ASN 24 CO -0.17 1.10 -0.06 0.15 0.07 0.00 0.00 177.43 178.53 1dk2 h PHE 25 N 0.84 0.00 0.18 4.14 3.57 -0.73 0.41 116.94 125.35 1dk2 h PHE 25 Ca 0.13 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1dk2 h PHE 25 Cb 0.66 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.40 1dk2 h PHE 25 CO 0.05 0.06 -0.08 0.93 -2.23 0.00 0.00 178.31 177.03 1dk2 h GLU 26 N 0.00 -0.23 -0.46 1.11 3.07 -0.40 -2.90 114.58 114.76 1dk2 h GLU 26 Ca -0.00 0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.78 1dk2 h GLU 26 Cb 0.15 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1dk2 h GLU 26 CO 0.01 0.03 -0.09 -0.22 -1.40 0.00 0.00 179.01 177.34 1dk2 h LYS 27 N -1.01 0.88 -0.15 2.33 3.11 -1.33 -2.46 116.57 117.94 1dk2 h LYS 27 Ca -0.02 -0.33 0.04 0.00 -2.81 0.00 0.00 60.65 57.53 1dk2 h LYS 27 Cb 0.36 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.53 1dk2 h LYS 27 CO 0.04 0.97 0.18 -0.91 -2.81 0.00 0.00 179.45 176.92 1dk2 h ASN 28 N 0.72 0.00 -3.22 4.20 -0.26 -0.30 -3.41 115.58 113.31 1dk2 h ASN 28 Ca 0.12 0.00 -0.47 0.00 -0.56 0.00 0.00 56.30 55.39 1dk2 h ASN 28 Cb 0.63 0.00 0.04 0.00 -1.06 0.00 0.00 38.32 37.94 1dk2 h ASN 28 CO 0.04 0.00 0.05 -0.69 -1.06 0.00 0.00 177.43 175.77 1dk2 s VAL 29 N -4.60 3.81 0.00 2.81 1.01 -0.93 -5.05 120.40 117.46 1dk2 s VAL 29 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1dk2 s VAL 29 Cb 0.15 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1dk2 s VAL 29 CO 0.53 -0.41 0.10 -0.24 0.00 0.00 0.00 175.10 175.09 1dk2 n SER 30 N -2.35 0.00 -3.43 3.32 2.88 -1.26 -4.28 113.62 108.50 1dk2 n SER 30 Ca 0.03 0.54 -0.40 0.00 -1.33 0.00 0.00 58.87 57.72 1dk2 n SER 30 Cb 0.58 -0.49 -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 -1.98 3.82 -2.71 -1.46 1.13 -1.26 -4.30 117.38 110.62 1dk2 n GLN 31 Ca 0.00 -2.61 -0.05 0.00 -1.94 0.00 0.00 57.00 52.40 1dk2 n GLN 31 Cb 0.00 -2.82 0.09 0.00 0.11 0.00 0.00 30.24 27.61 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 3.43 2.48 -0.01 -1.58 0.00 -1.26 -4.91 120.51 118.66 1dk2 n ALA 32 Ca 0.70 -1.98 -0.04 0.00 0.00 0.00 0.00 53.44 52.11 1dk2 n ALA 32 Cb 0.26 -0.91 -0.12 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.71 1.32 -0.02 0.00 0.13 -1.26 -3.03 119.36 115.79 1dk2 n ILE 33 Ca -0.02 -0.75 -0.13 0.00 -1.10 0.00 0.00 62.75 60.75 1dk2 n ILE 33 Cb 0.84 -0.76 -0.10 0.00 -0.84 0.00 0.00 39.64 38.78 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 0.02 0.00 9.51 2.07 -1.95 -2.91 115.15 121.88 1dk2 h HIS 34 Ca -0.27 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.25 1dk2 h HIS 34 Cb 1.83 -0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.81 1dk2 h HIS 34 CO 0.00 0.52 0.00 1.57 -3.07 0.00 0.00 177.93 176.95 1dk2 h LYS 35 N -0.49 0.00 0.59 5.12 -0.00 -1.95 -3.19 116.57 116.65 1dk2 h LYS 35 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.62 1dk2 h LYS 35 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.75 1dk2 h LYS 35 CO 0.00 0.00 -0.30 -0.92 -0.00 0.00 0.00 179.45 178.23 1dk2 h TYR 36 N 0.00 -0.78 -0.20 0.07 3.20 -1.42 -2.05 116.97 115.78 1dk2 h TYR 36 Ca 0.00 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.91 1dk2 h TYR 36 Cb 0.51 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 1dk2 h TYR 36 CO 0.00 -0.47 0.29 -0.91 -1.64 0.00 0.00 178.16 175.43 1dk2 h ASN 37 N -0.81 0.00 0.24 -2.11 2.35 -1.57 0.11 115.58 113.78 1dk2 h ASN 37 Ca -0.08 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1dk2 h ASN 37 Cb 0.63 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 1dk2 h ASN 37 CO 0.12 0.00 -0.24 0.00 -1.65 0.00 0.00 177.43 175.66 1dk2 h ALA 38 N 1.61 -0.94 0.03 -0.83 0.00 -1.35 0.16 119.26 117.93 1dk2 h ALA 38 Ca 0.10 -0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 1dk2 h ALA 38 Cb 0.68 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1dk2 h ALA 38 CO -0.00 -0.95 -1.09 1.88 0.00 0.00 0.00 179.25 179.08 1dk2 h TYR 39 N -0.47 0.10 -0.11 0.00 0.05 -1.37 -2.63 116.97 112.54 1dk2 h TYR 39 Ca -0.03 -0.08 -0.00 0.00 0.05 0.00 0.00 58.73 58.67 1dk2 h TYR 39 Cb 0.41 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.14 1dk2 h TYR 39 CO -0.15 1.06 0.06 -0.09 -1.05 0.00 0.00 178.16 177.98 1dk2 h ARG 40 N 0.02 0.15 -0.12 4.88 1.12 -0.78 0.20 114.38 119.86 1dk2 h ARG 40 Ca -0.05 -0.02 -0.18 0.00 -1.11 0.00 0.00 59.98 58.62 1dk2 h ARG 40 Cb 1.83 -0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 31.75 1dk2 h ARG 40 CO 0.14 0.20 -0.68 0.87 -3.11 0.00 0.00 179.97 177.39 1dk2 h LYS 41 N 0.06 0.49 -0.00 0.20 1.79 -0.78 -2.79 116.57 115.53 1dk2 h LYS 41 Ca 0.04 -0.37 -0.00 0.00 -2.18 0.00 0.00 60.65 58.14 1dk2 h LYS 41 Cb 0.10 0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1dk2 h LYS 41 CO -0.01 0.99 -0.00 0.00 -1.08 0.00 0.00 179.45 179.36 1dk2 h ALA 42 N 0.91 0.01 0.00 3.86 0.00 -1.29 -2.44 119.26 120.31 1dk2 h ALA 42 Ca -0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1dk2 h ALA 42 Cb 1.25 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1dk2 h ALA 42 CO 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 179.25 179.04 1dk2 h ALA 43 N 0.65 1.62 0.38 0.00 0.00 -0.65 -0.57 119.26 120.70 1dk2 h ALA 43 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1dk2 h ALA 43 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1dk2 h ALA 43 CO 0.00 0.02 -0.18 1.03 0.00 0.00 0.00 179.25 180.12 1dk2 h SER 44 N 0.00 -0.43 -0.64 0.00 0.87 -1.21 -0.25 113.55 111.89 1dk2 h SER 44 Ca -0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1dk2 h SER 44 Cb 0.03 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 1dk2 h SER 44 CO 0.00 0.02 0.40 1.62 -0.53 0.00 0.00 176.83 178.34 1dk2 h VAL 45 N -1.09 1.18 0.00 2.23 3.04 -1.27 0.23 116.25 120.57 1dk2 h VAL 45 Ca -0.05 -0.37 -0.07 0.00 -1.01 0.00 0.00 66.70 65.20 1dk2 h VAL 45 Cb 0.45 0.27 -0.01 0.00 -2.01 0.00 0.00 31.29 30.00 1dk2 h VAL 45 CO 0.09 0.18 -0.31 0.40 -1.01 0.00 0.00 177.57 176.91 1dk2 h ILE 46 N 0.87 0.99 0.00 3.17 2.04 -1.19 -1.64 117.51 121.75 1dk2 h ILE 46 Ca 0.23 -1.17 -0.13 0.00 1.00 0.00 0.00 64.86 64.79 1dk2 h ILE 46 Cb -0.05 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 1dk2 h ILE 46 CO -0.05 0.31 -0.91 0.00 0.00 0.00 0.00 178.15 177.50 1dk2 h ALA 47 N 1.69 0.65 -0.60 1.87 0.00 -0.15 -3.29 119.26 119.42 1dk2 h ALA 47 Ca -0.00 -0.63 -0.27 0.00 0.00 0.00 0.00 54.91 54.01 1dk2 h ALA 47 Cb 0.65 0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.34 1dk2 h ALA 47 CO 0.04 0.76 0.20 1.17 0.00 0.00 0.00 179.25 181.43 1dk2 n LYS 48 N -3.08 2.32 -3.50 0.00 0.00 0.72 -4.98 118.16 109.65 1dk2 n LYS 48 Ca -0.03 -3.09 -0.38 0.00 0.00 0.00 0.00 58.31 54.81 1dk2 n LYS 48 Cb 0.78 -1.99 -0.06 0.00 0.00 0.00 0.00 35.03 33.77 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 -3.19 3.72 -1.81 5.64 5.04 -0.65 -4.97 117.35 121.13 1dk2 s TYR 49 Ca 0.50 0.98 0.07 0.00 -2.44 0.00 0.00 57.07 56.18 1dk2 s TYR 49 Cb 0.43 -2.30 0.21 0.00 0.35 0.00 0.00 41.96 40.66 1dk2 s TYR 49 CO 0.06 0.62 1.13 -0.35 -1.34 0.00 0.00 175.55 175.67 1dk2 n PRO 50 N 1.91 1.65 -4.10 4.97 -0.04 -1.26 -4.90 135.00 133.23 1dk2 n PRO 50 Ca -0.14 -0.86 -0.14 0.00 -0.04 0.00 0.00 63.50 62.32 1dk2 n PRO 50 Cb 0.52 -1.27 -0.05 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.67 1.04 -0.03 0.54 3.76 -1.26 -5.09 115.29 112.57 1dk2 s HIS 51 Ca 0.16 -1.26 -0.03 0.00 -0.15 0.00 0.00 55.06 53.78 1dk2 s HIS 51 Cb 0.09 -0.14 -0.04 0.00 1.11 0.00 0.00 32.58 33.60 1dk2 s HIS 51 CO 0.10 -1.06 0.12 0.21 -0.85 0.00 0.00 174.74 173.26 1dk2 s LYS 52 N -3.29 3.27 -0.19 1.40 2.20 -1.26 -4.65 119.74 117.21 1dk2 s LYS 52 Ca 0.31 -0.35 -0.27 0.00 -0.36 0.00 0.00 55.97 55.30 1dk2 s LYS 52 Cb 0.00 -3.00 -0.01 0.00 -1.51 0.00 0.00 37.83 33.31 1dk2 s LYS 52 CO 0.19 0.69 0.91 0.42 -0.36 0.00 0.00 175.35 177.20 1dk2 s ILE 53 N -1.19 4.80 -0.10 5.43 1.01 -1.26 -4.95 121.20 124.94 1dk2 s ILE 53 Ca 0.22 1.79 -0.01 0.00 0.00 0.00 0.00 60.65 62.65 1dk2 s ILE 53 Cb -0.12 -4.21 -0.00 0.00 0.01 0.00 0.00 42.46 38.14 1dk2 s ILE 53 CO 0.13 -0.06 -0.02 0.50 0.00 0.00 0.00 174.94 175.50 1dk2 h LYS 54 N 7.41 0.00 0.00 2.79 3.11 -1.97 -3.49 116.57 124.41 1dk2 h LYS 54 Ca -0.25 0.00 -0.63 0.00 -2.81 0.00 0.00 60.65 56.96 1dk2 h LYS 54 Cb 1.11 0.00 -0.13 0.00 -1.00 0.00 0.00 32.23 32.21 1dk2 h LYS 54 CO 0.89 0.00 -0.49 0.43 -2.81 0.00 0.00 179.45 177.46 1dk2 n SER 55 N -4.55 2.16 0.28 4.20 7.64 -1.26 -4.91 113.62 117.18 1dk2 n SER 55 Ca -0.01 -3.29 0.12 0.00 1.01 0.00 0.00 58.87 56.70 1dk2 n SER 55 Cb 0.02 0.79 0.79 0.00 -1.01 0.00 0.00 64.21 64.80 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 1.52 0.00 0.97 0.23 0.00 -1.87 -2.12 103.07 101.80 1dk2 h GLY 56 Ca -0.38 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1dk2 h GLY 56 CO 0.61 0.00 0.23 0.00 0.00 0.00 0.00 176.54 177.38 1dk2 h ALA 57 N 1.99 0.57 0.00 3.60 0.00 -1.95 -1.18 119.26 122.29 1dk2 h ALA 57 Ca -0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1dk2 h ALA 57 Cb 0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1dk2 h ALA 57 CO 0.00 0.10 -0.01 1.49 0.00 0.00 0.00 179.25 180.83 1dk2 h GLU 58 N 0.57 0.00 0.00 0.00 4.81 -1.78 -1.16 114.58 117.02 1dk2 h GLU 58 Ca 0.15 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.26 1dk2 h GLU 58 Cb 0.07 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1dk2 h GLU 58 CO -0.02 0.01 -1.02 0.00 -0.73 0.00 0.00 179.01 177.25 1dk2 h ALA 59 N 1.99 0.65 -0.22 2.92 0.00 -1.24 -3.33 119.26 120.04 1dk2 h ALA 59 Ca -0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 1dk2 h ALA 59 Cb 0.09 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1dk2 h ALA 59 CO 0.00 0.71 -0.28 0.87 0.00 0.00 0.00 179.25 180.55 1dk2 h LYS 60 N 0.00 0.58 0.00 0.00 1.57 -0.58 -2.97 116.57 115.18 1dk2 h LYS 60 Ca -0.09 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.36 1dk2 h LYS 60 Cb 1.45 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.78 1dk2 h LYS 60 CO 0.05 0.93 -0.04 1.57 -0.57 0.00 0.00 179.45 181.39 1dk2 h LYS 61 N 0.27 0.00 -6.57 3.15 2.10 -1.66 -3.43 116.57 110.44 1dk2 h LYS 61 Ca 0.03 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.11 1dk2 h LYS 61 Cb 0.85 0.00 0.06 0.00 -0.90 0.00 0.00 32.23 32.24 1dk2 h LYS 61 CO 0.07 0.04 0.85 1.28 -2.00 0.00 0.00 179.45 179.68 1dk2 n LEU 62 N -4.31 3.41 -4.56 7.07 4.77 -1.12 -4.89 117.00 117.36 1dk2 n LEU 62 Ca -0.03 1.08 -0.41 0.00 -0.03 0.00 0.00 56.01 56.62 1dk2 n LEU 62 Cb 0.12 -1.48 -0.03 0.00 -2.33 0.00 0.00 43.42 39.71 1dk2 n LEU 62 CO 0.33 -0.15 1.20 -2.16 -1.33 0.00 0.00 177.39 175.28 1dk2 s PRO 63 N 0.85 3.24 0.00 3.23 0.04 -1.26 -3.31 135.00 137.79 1dk2 s PRO 63 Ca 0.76 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.84 1dk2 s PRO 63 Cb -0.62 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 29.77 1dk2 s PRO 63 CO 0.37 -2.06 0.00 0.41 0.04 0.00 0.00 177.00 175.77 1dk2 n GLY 64 N 5.31 1.13 3.80 0.56 0.00 -1.26 -4.77 105.19 109.95 1dk2 n GLY 64 Ca 0.07 0.00 -0.39 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 4.82 0.00 1.61 1.01 -1.21 -3.94 120.40 122.69 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 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1dk2 n GLY 66 N 1.97 1.53 0.08 4.51 0.00 -1.26 -4.85 105.19 107.17 1dk2 n GLY 66 Ca -0.10 -1.65 -0.04 0.00 0.00 0.00 0.00 46.02 44.23 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 1.04 0.09 2.61 5.66 -1.26 -3.51 114.28 118.92 1dk2 n THR 67 Ca 0.00 -0.75 -0.23 0.00 -3.05 0.00 0.00 64.05 60.02 1dk2 n THR 67 Cb 0.00 -0.40 -0.15 0.00 -1.55 0.00 0.00 70.33 68.23 1dk2 n THR 67 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1dk2 h LYS 68 N 0.00 0.42 -0.18 1.09 1.57 -2.00 -3.15 116.57 114.31 1dk2 h LYS 68 Ca -0.37 -0.71 -0.17 0.00 -1.87 0.00 0.00 60.65 57.53 1dk2 h LYS 68 Cb 1.87 0.26 0.00 0.00 0.08 0.00 0.00 32.23 34.45 1dk2 h LYS 68 CO 0.03 1.34 -0.54 0.82 -0.57 0.00 0.00 179.45 180.52 1dk2 h ILE 69 N -0.03 1.31 -0.03 1.86 1.08 -1.90 -2.91 117.51 116.88 1dk2 h ILE 69 Ca -0.26 -1.78 0.02 0.00 -0.39 0.00 0.00 64.86 62.45 1dk2 h ILE 69 Cb 1.99 1.92 -0.02 0.00 -3.07 0.00 0.00 36.82 37.64 1dk2 h ILE 69 CO 0.20 0.56 -0.07 0.00 -0.69 0.00 0.00 178.15 178.14 1dk2 h ALA 70 N 0.57 -0.05 -0.39 1.87 0.00 -1.70 -1.37 119.26 118.19 1dk2 h ALA 70 Ca -0.02 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1dk2 h ALA 70 Cb 1.17 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1dk2 h ALA 70 CO 0.12 -0.56 0.26 1.05 0.00 0.00 0.00 179.25 180.12 1dk2 h GLU 71 N -0.11 0.32 -0.22 0.00 4.11 -1.60 0.35 114.58 117.43 1dk2 h GLU 71 Ca 0.04 -0.02 -0.06 0.00 0.07 0.00 0.00 59.36 59.40 1dk2 h GLU 71 Cb 0.17 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1dk2 h GLU 71 CO -0.10 0.21 -0.11 0.87 0.07 0.00 0.00 179.01 179.95 1dk2 h LYS 72 N 0.33 0.36 -0.61 1.06 1.79 -1.06 -2.39 116.57 116.05 1dk2 h LYS 72 Ca 0.17 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 58.52 1dk2 h LYS 72 Cb 0.25 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.82 1dk2 h LYS 72 CO -0.04 0.48 0.28 0.82 -1.08 0.00 0.00 179.45 179.92 1dk2 h ILE 73 N 0.34 1.22 -0.62 1.86 1.08 -0.33 -1.96 117.51 119.09 1dk2 h ILE 73 Ca 0.07 -0.63 0.04 0.00 -0.39 0.00 0.00 64.86 63.95 1dk2 h ILE 73 Cb 0.41 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 34.63 1dk2 h ILE 73 CO 0.02 0.25 0.41 -0.78 -0.69 0.00 0.00 178.15 177.37 1dk2 h ASP 74 N 0.84 0.61 0.11 1.72 1.82 -1.31 0.67 116.42 120.87 1dk2 h ASP 74 Ca 0.21 -0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.80 1dk2 h ASP 74 Cb 0.14 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 1dk2 h ASP 74 CO -0.02 0.41 -0.15 -0.33 -1.61 0.00 0.00 179.24 177.54 1dk2 h GLU 75 N 0.70 0.09 -0.05 0.28 5.08 -1.17 0.40 114.58 119.91 1dk2 h GLU 75 Ca 0.25 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1dk2 h GLU 75 Cb 0.13 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1dk2 h GLU 75 CO -0.07 0.25 -0.02 0.74 -1.00 0.00 0.00 179.01 178.90 1dk2 h PHE 76 N 0.09 0.12 0.00 4.33 -1.00 -0.63 -3.08 116.94 116.77 1dk2 h PHE 76 Ca 0.02 -0.03 -0.10 0.00 2.81 0.00 0.00 57.97 60.67 1dk2 h PHE 76 Cb 0.32 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 1dk2 h PHE 76 CO 0.00 0.46 -0.46 -0.07 -1.61 0.00 0.00 178.31 176.64 1dk2 h LEU 77 N -0.26 0.00 0.00 1.54 -0.00 -1.09 -3.37 115.31 112.12 1dk2 h LEU 77 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1dk2 h LEU 77 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 1dk2 h LEU 77 CO 0.01 0.46 0.00 0.00 -0.00 0.00 0.00 178.44 178.91 1dk2 n ALA 78 N -2.29 0.00 0.07 1.53 0.00 0.14 -4.90 120.51 115.04 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 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.49 0.61 0.00 0.00 -2.24 -1.18 -5.09 114.28 105.89 1dk2 n THR 79 Ca 0.00 0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1dk2 n THR 79 Cb 0.00 -1.07 0.00 0.00 -2.10 0.00 0.00 70.33 67.16 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 2.79 0.34 3.21 3.38 0.00 -1.18 -4.98 105.19 108.75 1dk2 n GLY 80 Ca 0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 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 1.05 -0.30 1.61 -0.14 -1.26 -5.11 119.74 115.59 1dk2 s LYS 81 Ca 0.00 -1.51 -0.02 0.00 -1.36 0.00 0.00 55.97 53.08 1dk2 s LYS 81 Cb 0.00 -0.06 0.12 0.00 -1.68 0.00 0.00 37.83 36.21 1dk2 s LYS 81 CO 0.00 -0.19 0.18 -0.51 -0.76 0.00 0.00 175.35 174.07 1dk2 s LEU 82 N -3.13 0.44 -0.85 3.17 1.43 -1.26 -5.03 118.68 113.45 1dk2 s LEU 82 Ca 0.25 -1.36 -0.14 0.00 -1.03 0.00 0.00 54.13 51.85 1dk2 s LEU 82 Cb 0.07 -0.16 0.22 0.00 0.03 0.00 0.00 46.19 46.35 1dk2 s LEU 82 CO 0.04 -0.40 0.79 -0.13 0.23 0.00 0.00 176.35 176.88 1dk2 s ARG 83 N 1.94 3.65 -0.29 1.70 0.52 -1.26 -4.97 118.95 120.25 1dk2 s ARG 83 Ca 0.11 -2.53 -0.23 0.00 -0.52 0.00 0.00 55.73 52.56 1dk2 s ARG 83 Cb -0.17 -4.43 0.14 0.00 0.52 0.00 0.00 34.95 31.01 1dk2 s ARG 83 CO -0.28 -1.29 1.09 -1.59 0.02 0.00 0.00 175.30 173.25 1dk2 s LYS 84 N 0.04 0.40 -0.02 3.54 -2.85 -1.26 -5.06 119.74 114.54 1dk2 s LYS 84 Ca 0.19 0.52 0.23 0.00 -1.00 0.00 0.00 55.97 55.91 1dk2 s LYS 84 Cb -0.10 0.18 0.38 0.00 -2.06 0.00 0.00 37.83 36.23 1dk2 s LYS 84 CO -0.09 -0.05 1.15 1.47 0.10 0.00 0.00 175.35 177.93 1dk2 n LEU 85 N 2.41 0.77 -4.03 2.77 -0.00 -1.26 -5.09 117.00 112.57 1dk2 n LEU 85 Ca -0.13 -2.08 -0.10 0.00 -0.00 0.00 0.00 56.01 53.70 1dk2 n LEU 85 Cb 0.56 0.03 -0.11 0.00 -0.00 0.00 0.00 43.42 43.90 1dk2 n LEU 85 CO 0.02 0.67 -0.38 -0.70 -0.00 0.00 0.00 177.39 177.00 1dk2 s GLU 86 N -0.24 0.43 0.00 1.47 2.12 -1.26 -5.37 118.70 115.85 1dk2 s GLU 86 Ca 0.29 -0.75 0.07 0.00 0.36 0.00 0.00 54.97 54.94 1dk2 s GLU 86 Cb 0.34 -0.03 0.06 0.00 0.26 0.00 0.00 34.13 34.75 1dk2 s GLU 86 CO -0.14 -0.02 0.72 1.63 -0.54 0.00 0.00 175.26 176.91