#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 3.71 0.64 1.43 2.20 -1.26 -5.08 119.74 121.39 1dk2 s LYS 3 Ca 0.00 -0.23 -0.17 0.00 -0.36 0.00 0.00 55.97 55.20 1dk2 s LYS 3 Cb 0.00 -3.21 -0.01 0.00 -1.51 0.00 0.00 37.83 33.10 1dk2 s LYS 3 CO 0.00 0.53 1.21 -0.98 -0.36 0.00 0.00 175.35 175.75 1dk2 s ARG 4 N -0.32 2.67 0.35 4.03 1.70 -1.26 -5.04 118.95 121.08 1dk2 s ARG 4 Ca 0.10 1.81 0.03 0.00 -0.47 0.00 0.00 55.73 57.19 1dk2 s ARG 4 Cb -0.12 -1.89 -0.01 0.00 -0.57 0.00 0.00 34.95 32.36 1dk2 s ARG 4 CO 0.01 -1.44 0.09 1.63 -1.08 0.00 0.00 175.30 174.51 1dk2 n LYS 5 N -2.01 0.73 -2.13 3.89 4.76 -1.26 -5.15 118.16 116.98 1dk2 n LYS 5 Ca 0.14 -2.88 -0.28 0.00 -2.87 0.00 0.00 58.31 52.42 1dk2 n LYS 5 Cb 0.50 1.37 0.06 0.00 -1.84 0.00 0.00 35.03 35.11 1dk2 n LYS 5 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1dk2 s ALA 6 N -2.86 3.05 0.14 7.82 0.00 -1.26 -5.06 121.76 123.59 1dk2 s ALA 6 Ca 0.13 -0.68 -0.22 0.00 0.00 0.00 0.00 51.96 51.19 1dk2 s ALA 6 Cb 0.01 -2.76 -0.07 0.00 0.00 0.00 0.00 23.12 20.29 1dk2 s ALA 6 CO 0.09 -1.18 0.68 -1.25 0.00 0.00 0.00 175.76 174.10 1dk2 s PRO 7 N -5.25 4.36 -1.17 0.00 0.04 -1.26 -5.01 135.00 126.71 1dk2 s PRO 7 Ca 0.58 0.93 -0.16 0.00 0.04 0.00 0.00 61.00 62.39 1dk2 s PRO 7 Cb -0.11 -3.19 0.14 0.00 0.04 0.00 0.00 34.50 31.39 1dk2 s PRO 7 CO 0.47 0.57 1.44 -1.14 0.04 0.00 0.00 177.00 178.38 1dk2 s GLN 8 N -1.27 3.98 -0.96 4.56 0.74 -1.26 -4.91 119.66 120.54 1dk2 s GLN 8 Ca 0.34 -2.30 -0.06 0.00 0.05 0.00 0.00 55.36 53.38 1dk2 s GLN 8 Cb -0.21 -5.13 0.24 0.00 1.10 0.00 0.00 33.01 29.02 1dk2 s GLN 8 CO 0.22 -1.86 0.90 -1.21 -0.55 0.00 0.00 175.29 172.79 1dk2 s GLU 9 N 2.31 3.66 0.00 1.67 2.02 -1.26 -4.43 118.70 122.67 1dk2 s GLU 9 Ca 0.43 -3.12 0.00 0.00 0.02 0.00 0.00 54.97 52.30 1dk2 s GLU 9 Cb -0.02 -4.25 0.00 0.00 0.10 0.00 0.00 34.13 29.96 1dk2 s GLU 9 CO -0.01 -1.25 0.00 0.25 0.02 0.00 0.00 175.26 174.27 1dk2 n THR 10 N 2.74 0.00 0.00 3.63 -2.24 -1.26 -4.86 114.28 112.29 1dk2 n THR 10 Ca 0.21 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1dk2 n THR 10 Cb 0.39 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 1dk2 n THR 10 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1dk2 n LEU 11 N -2.31 0.19 -2.06 3.22 4.77 -1.26 -4.86 117.00 114.69 1dk2 n LEU 11 Ca 0.00 0.36 -0.02 0.00 -0.03 0.00 0.00 56.01 56.32 1dk2 n LEU 11 Cb 0.25 -0.46 0.04 0.00 -2.33 0.00 0.00 43.42 40.92 1dk2 n LEU 11 CO 0.00 -0.46 0.30 -0.46 -1.33 0.00 0.00 177.39 175.44 1dk2 n ASN 12 N -2.00 -0.13 -0.39 -1.43 0.23 -1.26 -4.61 115.26 105.67 1dk2 n ASN 12 Ca 0.00 -2.07 0.14 0.00 -0.53 0.00 0.00 54.58 52.12 1dk2 n ASN 12 Cb 0.00 0.11 0.60 0.00 -2.08 0.00 0.00 39.78 38.42 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 -0.53 -0.18 0.11 4.83 0.00 -1.26 -3.81 105.19 104.35 1dk2 n GLY 13 Ca -0.10 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.38 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 1.14 -0.78 0.13 -0.02 0.00 -1.26 -3.78 105.19 100.62 1dk2 n GLY 14 Ca 0.20 -0.16 -0.11 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 1.22 -0.44 -0.61 5.03 -1.97 -2.52 117.51 118.26 1dk2 h ILE 15 Ca -0.36 -0.71 0.10 0.00 -0.12 0.00 0.00 64.86 63.76 1dk2 h ILE 15 Cb 2.03 1.30 -0.02 0.00 -3.03 0.00 0.00 36.82 37.09 1dk2 h ILE 15 CO 0.08 0.22 0.30 0.00 -0.68 0.00 0.00 178.15 178.07 1dk2 h THR 16 N 0.14 0.86 0.00 -0.27 1.03 -1.73 0.17 112.91 113.11 1dk2 h THR 16 Ca 0.06 -0.06 -0.04 0.00 -0.01 0.00 0.00 66.41 66.36 1dk2 h THR 16 Cb 0.30 0.68 -0.01 0.00 -1.07 0.00 0.00 68.15 68.05 1dk2 h THR 16 CO 0.00 0.03 -0.21 -0.78 -0.01 0.00 0.00 175.52 174.55 1dk2 h ASP 17 N 0.16 0.00 0.96 0.00 1.82 -1.54 0.19 116.42 118.01 1dk2 h ASP 17 Ca 0.20 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.82 1dk2 h ASP 17 Cb 0.60 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.60 1dk2 h ASP 17 CO -0.03 0.21 -1.06 0.24 -1.61 0.00 0.00 179.24 176.99 1dk2 h MET 18 N 0.00 0.00 0.07 0.28 2.86 -0.65 -2.90 114.93 114.59 1dk2 h MET 18 Ca -0.00 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.34 1dk2 h MET 18 Cb 0.41 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 1dk2 h MET 18 CO 0.03 0.05 -1.54 -0.07 1.06 0.00 0.00 176.91 176.44 1dk2 h LEU 19 N 0.00 0.24 -0.25 1.22 4.07 -0.68 -3.12 115.31 116.79 1dk2 h LEU 19 Ca -0.03 -0.37 -0.20 0.00 0.08 0.00 0.00 57.88 57.36 1dk2 h LEU 19 Cb 1.10 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 1dk2 h LEU 19 CO 0.01 1.31 -0.90 0.58 -1.08 0.00 0.00 178.44 178.36 1dk2 h VAL 20 N 0.04 1.49 0.56 1.22 2.07 -0.77 -1.29 116.25 119.58 1dk2 h VAL 20 Ca -0.24 -2.64 -0.03 0.00 0.82 0.00 0.00 66.70 64.61 1dk2 h VAL 20 Cb 1.98 2.49 0.01 0.00 -1.52 0.00 0.00 31.29 34.25 1dk2 h VAL 20 CO 0.13 0.77 -0.27 -0.33 0.02 0.00 0.00 177.57 177.89 1dk2 h GLU 21 N 0.11 -0.73 -0.17 1.57 4.39 -1.61 -2.78 114.58 115.37 1dk2 h GLU 21 Ca -0.05 0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1dk2 h GLU 21 Cb 1.54 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 30.34 1dk2 h GLU 21 CO 0.14 -0.49 -0.02 1.37 -1.16 0.00 0.00 179.01 178.85 1dk2 h LEU 22 N -1.01 0.23 -0.63 1.33 8.10 -1.66 -2.50 115.31 119.17 1dk2 h LEU 22 Ca -0.08 -0.03 0.11 0.00 0.11 0.00 0.00 57.88 57.99 1dk2 h LEU 22 Cb 0.58 -0.06 -0.08 0.00 -0.44 0.00 0.00 40.66 40.66 1dk2 h LEU 22 CO 0.13 0.30 0.20 0.00 -4.11 0.00 0.00 178.44 174.96 1dk2 h ALA 23 N 1.74 0.81 -0.44 0.17 0.00 -1.17 0.21 119.26 120.57 1dk2 h ALA 23 Ca 0.06 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1dk2 h ALA 23 Cb 0.21 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1dk2 h ALA 23 CO 0.01 -0.24 0.07 -0.91 0.00 0.00 0.00 179.25 178.18 1dk2 h ASN 24 N 0.36 0.64 0.08 0.00 2.35 -1.16 -1.38 115.58 116.47 1dk2 h ASN 24 Ca 0.33 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1dk2 h ASN 24 Cb 0.46 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 1dk2 h ASN 24 CO -0.36 0.66 -0.04 0.15 -1.65 0.00 0.00 177.43 176.19 1dk2 h PHE 25 N 0.66 0.00 0.00 1.19 3.04 -0.52 0.40 116.94 121.71 1dk2 h PHE 25 Ca 0.14 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.09 1dk2 h PHE 25 Cb 0.31 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.82 1dk2 h PHE 25 CO 0.01 0.04 -0.00 0.93 -2.02 0.00 0.00 178.31 177.27 1dk2 h GLU 26 N 0.00 -0.00 -0.59 1.11 4.39 -0.46 -2.93 114.58 116.09 1dk2 h GLU 26 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1dk2 h GLU 26 Cb 0.09 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 1dk2 h GLU 26 CO 0.00 0.46 0.26 -0.22 -1.16 0.00 0.00 179.01 178.35 1dk2 h LYS 27 N -1.00 0.86 -0.01 2.33 3.11 -1.32 -1.48 116.57 119.06 1dk2 h LYS 27 Ca -0.00 -0.14 0.00 0.00 -2.81 0.00 0.00 60.65 57.70 1dk2 h LYS 27 Cb 0.46 -0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 31.54 1dk2 h LYS 27 CO 0.00 0.72 0.02 -0.91 -2.81 0.00 0.00 179.45 176.46 1dk2 h ASN 28 N 0.81 0.00 -3.28 4.20 2.35 -0.34 -3.42 115.58 115.90 1dk2 h ASN 28 Ca 0.20 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.48 1dk2 h ASN 28 Cb 0.16 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.57 1dk2 h ASN 28 CO -0.02 0.00 0.07 -0.69 -1.65 0.00 0.00 177.43 175.14 1dk2 s VAL 29 N -4.62 3.71 -0.01 2.81 1.01 -0.56 -5.05 120.40 117.69 1dk2 s VAL 29 Ca -0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 1dk2 s VAL 29 Cb 0.15 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 1dk2 s VAL 29 CO 0.54 -0.39 0.13 -1.28 0.00 0.00 0.00 175.10 174.10 1dk2 h SER 30 N 0.03 -0.01 -0.63 3.32 0.87 -1.81 -3.38 113.55 111.94 1dk2 h SER 30 Ca -0.45 0.00 -0.71 0.00 -1.23 0.00 0.00 61.79 59.39 1dk2 h SER 30 Cb 1.26 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.16 1dk2 h SER 30 CO 0.59 0.02 2.99 1.67 -0.53 0.00 0.00 176.83 181.58 1dk2 n GLN 31 N -2.20 3.98 -2.81 2.24 -0.06 -1.26 -4.45 117.38 112.82 1dk2 n GLN 31 Ca -0.00 -2.91 -0.11 0.00 -2.00 0.00 0.00 57.00 51.98 1dk2 n GLN 31 Cb 0.00 -2.79 0.06 0.00 -4.06 0.00 0.00 30.24 23.45 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 3.09 1.34 -0.09 1.69 0.00 -1.26 -4.92 120.51 120.36 1dk2 n ALA 32 Ca 0.65 -2.23 -0.08 0.00 0.00 0.00 0.00 53.44 51.78 1dk2 n ALA 32 Cb 0.27 -1.01 -0.15 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.01 1.21 -0.02 0.00 0.13 -1.26 -3.32 119.36 116.08 1dk2 n ILE 33 Ca 0.09 -0.77 -0.12 0.00 -1.10 0.00 0.00 62.75 60.84 1dk2 n ILE 33 Cb 0.76 -0.47 -0.07 0.00 -0.84 0.00 0.00 39.64 39.02 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 0.14 0.00 9.51 2.07 -1.96 -2.55 115.15 122.36 1dk2 h HIS 34 Ca -0.48 -0.02 -0.03 0.00 -2.85 0.00 0.00 60.37 56.99 1dk2 h HIS 34 Cb 2.08 -0.04 -0.00 0.00 2.57 0.00 0.00 27.41 32.02 1dk2 h HIS 34 CO 0.00 0.36 -0.16 1.57 -3.07 0.00 0.00 177.93 176.63 1dk2 h LYS 35 N -0.11 0.00 0.19 5.12 -0.00 -1.96 -3.20 116.57 116.61 1dk2 h LYS 35 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.67 1dk2 h LYS 35 Cb 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.51 1dk2 h LYS 35 CO 0.00 0.16 -0.18 -0.92 -0.00 0.00 0.00 179.45 178.51 1dk2 h TYR 36 N 0.00 -0.50 -0.23 0.07 3.20 -1.52 -1.37 116.97 116.63 1dk2 h TYR 36 Ca -0.00 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.94 1dk2 h TYR 36 Cb 0.65 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 1dk2 h TYR 36 CO 0.00 -0.24 0.32 -0.91 -1.64 0.00 0.00 178.16 175.68 1dk2 h ASN 37 N -0.37 0.00 0.16 -2.11 2.35 -1.60 0.95 115.58 114.96 1dk2 h ASN 37 Ca -0.02 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1dk2 h ASN 37 Cb 0.31 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 1dk2 h ASN 37 CO -0.02 0.00 -0.29 0.00 -1.65 0.00 0.00 177.43 175.47 1dk2 h ALA 38 N 1.58 -0.53 0.00 -0.83 0.00 -1.24 -0.38 119.26 117.86 1dk2 h ALA 38 Ca 0.11 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 1dk2 h ALA 38 Cb 0.74 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1dk2 h ALA 38 CO -0.00 -0.84 -1.44 1.88 0.00 0.00 0.00 179.25 178.84 1dk2 h TYR 39 N -0.54 0.00 -0.72 0.00 -1.99 -1.20 -2.70 116.97 109.82 1dk2 h TYR 39 Ca 0.02 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.70 1dk2 h TYR 39 Cb 0.55 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.24 1dk2 h TYR 39 CO -0.25 0.64 0.24 -0.09 -0.00 0.00 0.00 178.16 178.70 1dk2 h ARG 40 N 0.00 1.10 0.15 4.88 1.12 -0.75 0.38 114.38 121.26 1dk2 h ARG 40 Ca -0.18 -0.22 -0.31 0.00 -1.11 0.00 0.00 59.98 58.16 1dk2 h ARG 40 Cb 1.65 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 31.44 1dk2 h ARG 40 CO 0.05 0.93 -1.58 -0.22 -3.11 0.00 0.00 179.97 176.04 1dk2 h LYS 41 N 1.06 0.32 0.00 0.20 1.63 -1.20 -2.85 116.57 115.73 1dk2 h LYS 41 Ca 0.24 -0.54 -0.05 0.00 -0.85 0.00 0.00 60.65 59.44 1dk2 h LYS 41 Cb 0.28 0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 1dk2 h LYS 41 CO -0.01 1.26 -0.25 0.00 -3.45 0.00 0.00 179.45 177.00 1dk2 h ALA 42 N 0.03 1.49 0.06 5.00 0.00 -1.43 -2.20 119.26 122.21 1dk2 h ALA 42 Ca -0.33 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.10 1dk2 h ALA 42 Cb 1.92 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 1dk2 h ALA 42 CO 0.12 0.31 -1.23 0.00 0.00 0.00 0.00 179.25 178.45 1dk2 h ALA 43 N 1.75 0.30 -0.05 0.00 0.00 -0.34 -2.94 119.26 117.97 1dk2 h ALA 43 Ca -0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 54.91 53.90 1dk2 h ALA 43 Cb 0.47 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1dk2 h ALA 43 CO 0.03 1.18 -0.02 1.03 0.00 0.00 0.00 179.25 181.47 1dk2 h SER 44 N 0.03 0.11 -0.65 0.00 0.87 -1.21 0.41 113.55 113.11 1dk2 h SER 44 Ca -0.11 -0.41 -0.07 0.00 -1.23 0.00 0.00 61.79 59.97 1dk2 h SER 44 Cb 1.90 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.80 1dk2 h SER 44 CO 0.15 0.49 0.14 1.62 -0.53 0.00 0.00 176.83 178.71 1dk2 h VAL 45 N -0.28 1.26 0.00 2.23 3.04 -1.54 -1.55 116.25 119.42 1dk2 h VAL 45 Ca 0.01 -0.97 -0.14 0.00 -1.01 0.00 0.00 66.70 64.59 1dk2 h VAL 45 Cb 0.45 0.63 -0.02 0.00 -2.01 0.00 0.00 31.29 30.34 1dk2 h VAL 45 CO 0.01 0.37 -0.66 0.40 -1.01 0.00 0.00 177.57 176.68 1dk2 h ILE 46 N 0.98 1.24 0.00 3.17 2.04 -1.50 -1.75 117.51 121.69 1dk2 h ILE 46 Ca 0.20 -2.46 -0.07 0.00 1.00 0.00 0.00 64.86 63.54 1dk2 h ILE 46 Cb 0.39 2.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 1dk2 h ILE 46 CO 0.01 0.64 -0.31 0.00 0.00 0.00 0.00 178.15 178.49 1dk2 h ALA 47 N 1.34 0.87 0.00 1.87 0.00 0.12 -3.23 119.26 120.23 1dk2 h ALA 47 Ca -0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1dk2 h ALA 47 Cb 1.37 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1dk2 h ALA 47 CO 0.09 0.39 -0.36 1.17 0.00 0.00 0.00 179.25 180.54 1dk2 n LYS 48 N -3.28 1.48 -2.89 0.00 3.00 -0.61 -5.03 118.16 110.83 1dk2 n LYS 48 Ca 0.01 -3.08 -0.40 0.00 -0.00 0.00 0.00 58.31 54.85 1dk2 n LYS 48 Cb 0.57 -1.57 -0.06 0.00 0.00 0.00 0.00 35.03 33.98 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 3.94 -1.92 5.64 5.04 -0.66 -4.95 117.35 121.34 1dk2 s TYR 49 Ca 0.36 1.75 0.07 0.00 -2.44 0.00 0.00 57.07 56.80 1dk2 s TYR 49 Cb 0.34 -2.85 0.20 0.00 0.35 0.00 0.00 41.96 40.00 1dk2 s TYR 49 CO -0.04 0.49 1.14 -0.35 -1.34 0.00 0.00 175.55 175.45 1dk2 n PRO 50 N 1.57 1.55 -4.07 4.97 -0.04 -1.26 -4.89 135.00 132.83 1dk2 n PRO 50 Ca -0.04 -0.80 -0.10 0.00 -0.04 0.00 0.00 63.50 62.52 1dk2 n PRO 50 Cb 0.48 -1.21 -0.07 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.66 0.10 0.54 3.76 -1.26 -5.16 115.29 112.24 1dk2 s HIS 51 Ca 0.15 -0.97 -0.05 0.00 -0.15 0.00 0.00 55.06 54.04 1dk2 s HIS 51 Cb 0.08 -0.13 -0.05 0.00 1.11 0.00 0.00 32.58 33.58 1dk2 s HIS 51 CO 0.10 -0.81 0.33 -1.59 -0.85 0.00 0.00 174.74 171.92 1dk2 s LYS 52 N -4.06 3.60 -0.50 1.40 -2.85 -1.26 -4.77 119.74 111.29 1dk2 s LYS 52 Ca 0.27 -0.12 -0.17 0.00 -1.00 0.00 0.00 55.97 54.96 1dk2 s LYS 52 Cb 0.03 -2.93 0.08 0.00 -2.06 0.00 0.00 37.83 32.94 1dk2 s LYS 52 CO 0.08 0.53 0.50 0.42 0.10 0.00 0.00 175.35 176.98 1dk2 s ILE 53 N -1.55 5.09 -0.09 3.79 1.01 -1.26 -4.90 121.20 123.30 1dk2 s ILE 53 Ca 0.37 -0.93 -0.10 0.00 0.00 0.00 0.00 60.65 59.99 1dk2 s ILE 53 Cb -0.13 -4.23 -0.28 0.00 0.01 0.00 0.00 42.46 37.84 1dk2 s ILE 53 CO 0.23 -0.72 0.52 0.11 0.00 0.00 0.00 174.94 175.08 1dk2 h LYS 54 N 8.87 0.31 -6.35 2.79 1.57 -1.97 -3.47 116.57 118.32 1dk2 h LYS 54 Ca -0.28 -0.53 -0.60 0.00 -1.87 0.00 0.00 60.65 57.36 1dk2 h LYS 54 Cb 1.10 0.20 -0.12 0.00 0.08 0.00 0.00 32.23 33.49 1dk2 h LYS 54 CO 0.94 1.26 -0.68 0.45 -0.57 0.00 0.00 179.45 180.84 1dk2 s SER 55 N -7.15 4.56 0.55 0.86 0.15 -1.26 -4.85 113.70 106.55 1dk2 s SER 55 Ca -0.20 -0.50 0.23 0.00 0.70 0.00 0.00 55.95 56.19 1dk2 s SER 55 Cb 0.06 -0.89 1.51 0.00 -1.71 0.00 0.00 66.02 64.99 1dk2 s SER 55 CO 0.80 0.08 2.18 1.23 1.20 0.00 0.00 173.24 178.73 1dk2 h GLY 56 N 2.65 0.00 1.91 9.45 0.00 -1.88 -1.07 103.07 114.13 1dk2 h GLY 56 Ca -0.46 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 1dk2 h GLY 56 CO 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 177.08 1dk2 h ALA 57 N 1.98 1.80 0.00 3.60 0.00 -1.94 -0.82 119.26 123.87 1dk2 h ALA 57 Ca -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1dk2 h ALA 57 Cb 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1dk2 h ALA 57 CO 0.00 0.16 -0.10 0.93 0.00 0.00 0.00 179.25 180.24 1dk2 h GLU 58 N 0.12 0.00 0.00 0.00 3.07 -1.59 -1.87 114.58 114.30 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 0.14 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.02 1dk2 h GLU 58 CO 0.01 0.10 -1.09 0.00 -1.40 0.00 0.00 179.01 176.63 1dk2 h ALA 59 N 1.90 0.63 -0.11 3.43 0.00 -1.27 -3.32 119.26 120.51 1dk2 h ALA 59 Ca -0.00 -0.80 -0.21 0.00 0.00 0.00 0.00 54.91 53.90 1dk2 h ALA 59 Cb 0.27 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1dk2 h ALA 59 CO 0.01 0.95 -0.76 -0.22 0.00 0.00 0.00 179.25 179.23 1dk2 h LYS 60 N 0.00 0.71 0.00 0.00 1.63 -1.13 -3.07 116.57 114.72 1dk2 h LYS 60 Ca -0.10 -0.62 -0.00 0.00 -0.85 0.00 0.00 60.65 59.08 1dk2 h LYS 60 Cb 1.60 0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 33.36 1dk2 h LYS 60 CO 0.07 1.22 -0.02 1.57 -3.45 0.00 0.00 179.45 178.85 1dk2 h LYS 61 N 0.40 0.00 -6.82 1.90 2.10 -1.53 -3.43 116.57 109.19 1dk2 h LYS 61 Ca -0.06 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.04 1dk2 h LYS 61 Cb 1.40 0.00 0.10 0.00 -0.90 0.00 0.00 32.23 32.83 1dk2 h LYS 61 CO 0.16 0.02 0.75 1.28 -2.00 0.00 0.00 179.45 179.65 1dk2 n LEU 62 N -3.81 4.24 -4.59 7.07 4.77 -1.16 -4.92 117.00 118.60 1dk2 n LEU 62 Ca -0.03 1.19 -0.43 0.00 -0.03 0.00 0.00 56.01 56.71 1dk2 n LEU 62 Cb 0.10 -1.57 -0.02 0.00 -2.33 0.00 0.00 43.42 39.60 1dk2 n LEU 62 CO 0.28 -0.03 0.99 -2.16 -1.33 0.00 0.00 177.39 175.14 1dk2 s PRO 63 N -1.32 3.67 0.00 3.23 0.04 -1.26 -3.31 135.00 136.05 1dk2 s PRO 63 Ca 0.59 0.47 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1dk2 s PRO 63 Cb -0.52 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.10 1dk2 s PRO 63 CO 0.57 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 176.63 1dk2 n GLY 64 N 4.89 1.35 3.79 0.56 0.00 -1.26 -4.95 105.19 109.55 1dk2 n GLY 64 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.03 4.86 0.00 1.61 1.01 -1.21 -4.61 120.40 121.03 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 -3.90 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 1.68 0.09 4.51 0.00 -1.26 -4.91 105.19 107.44 1dk2 n GLY 66 Ca -0.09 -1.78 -0.08 0.00 0.00 0.00 0.00 46.02 44.08 1dk2 n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dk2 n THR 67 N 0.00 1.27 0.17 2.61 -2.24 -1.26 -3.51 114.28 111.32 1dk2 n THR 67 Ca 0.00 -0.82 -0.07 0.00 -2.27 0.00 0.00 64.05 60.89 1dk2 n THR 67 Cb 0.00 -0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 67.73 1dk2 n THR 67 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1dk2 h LYS 68 N 0.00 -0.44 -0.87 -0.78 3.11 -1.99 -0.46 116.57 115.14 1dk2 h LYS 68 Ca -0.47 0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.38 1dk2 h LYS 68 Cb 2.10 0.10 -0.04 0.00 -1.00 0.00 0.00 32.23 33.39 1dk2 h LYS 68 CO 0.03 -0.29 0.44 0.82 -2.81 0.00 0.00 179.45 177.64 1dk2 h ILE 69 N -0.57 1.26 -0.74 2.00 1.08 -1.90 -2.48 117.51 116.16 1dk2 h ILE 69 Ca -0.05 -0.70 0.04 0.00 -0.39 0.00 0.00 64.86 63.77 1dk2 h ILE 69 Cb 0.35 0.12 -0.05 0.00 -3.07 0.00 0.00 36.82 34.16 1dk2 h ILE 69 CO 0.08 0.31 0.45 0.00 -0.69 0.00 0.00 178.15 178.30 1dk2 h ALA 70 N 1.25 0.98 -0.48 1.87 0.00 -1.60 -0.90 119.26 120.38 1dk2 h ALA 70 Ca 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1dk2 h ALA 70 Cb 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1dk2 h ALA 70 CO -0.04 0.21 0.25 0.93 0.00 0.00 0.00 179.25 180.59 1dk2 h GLU 71 N 0.86 0.66 -0.07 0.00 4.39 -0.62 -1.05 114.58 118.75 1dk2 h GLU 71 Ca 0.31 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.88 1dk2 h GLU 71 Cb 0.08 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1dk2 h GLU 71 CO -0.14 0.50 -0.25 -0.22 -1.16 0.00 0.00 179.01 177.75 1dk2 h LYS 72 N 0.67 0.12 -0.44 2.33 3.64 -0.89 -2.63 116.57 119.37 1dk2 h LYS 72 Ca 0.17 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1dk2 h LYS 72 Cb 0.05 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1dk2 h LYS 72 CO -0.03 0.37 0.19 0.82 -2.27 0.00 0.00 179.45 178.53 1dk2 h ILE 73 N 0.11 1.19 -0.90 2.00 1.08 -0.65 -2.32 117.51 118.02 1dk2 h ILE 73 Ca 0.02 -0.57 0.06 0.00 -0.39 0.00 0.00 64.86 63.98 1dk2 h ILE 73 Cb 0.50 0.76 -0.06 0.00 -3.07 0.00 0.00 36.82 34.96 1dk2 h ILE 73 CO 0.04 0.21 0.59 -0.78 -0.69 0.00 0.00 178.15 177.51 1dk2 h ASP 74 N 0.56 0.90 0.21 1.72 1.82 -1.35 0.14 116.42 120.42 1dk2 h ASP 74 Ca 0.15 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.77 1dk2 h ASP 74 Cb 0.16 -0.19 -0.00 0.00 0.68 0.00 0.00 39.33 39.98 1dk2 h ASP 74 CO -0.02 0.58 -0.11 -0.33 -1.61 0.00 0.00 179.24 177.75 1dk2 h GLU 75 N 1.02 0.00 -0.01 0.28 4.39 -1.29 0.44 114.58 119.42 1dk2 h GLU 75 Ca 0.39 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.08 1dk2 h GLU 75 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1dk2 h GLU 75 CO -0.14 0.11 -0.03 0.74 -1.16 0.00 0.00 179.01 178.53 1dk2 h PHE 76 N 0.00 0.04 -0.10 4.33 0.04 -0.41 0.41 116.94 121.25 1dk2 h PHE 76 Ca -0.00 -0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.58 1dk2 h PHE 76 Cb 0.25 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 38.40 1dk2 h PHE 76 CO 0.00 0.65 -0.62 -0.07 -0.60 0.00 0.00 178.31 177.67 1dk2 h LEU 77 N -0.58 0.72 0.00 1.54 -0.00 -1.10 -3.39 115.31 112.50 1dk2 h LEU 77 Ca -0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 57.88 57.22 1dk2 h LEU 77 Cb 0.65 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 1dk2 h LEU 77 CO 0.01 1.26 0.00 0.00 -0.00 0.00 0.00 178.44 179.71 1dk2 n ALA 78 N -2.57 0.00 -0.01 1.53 0.00 0.15 -4.93 120.51 114.67 1dk2 n ALA 78 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1dk2 n ALA 78 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 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 0.00 0.00 0.00 -2.24 -1.06 -5.07 114.28 105.42 1dk2 n THR 79 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1dk2 n THR 79 Cb 0.00 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 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 2.58 0.69 2.78 3.38 0.00 0.14 -4.78 105.19 109.98 1dk2 n GLY 80 Ca 0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 0.01 0.74 -0.56 1.61 -0.14 -1.26 -5.04 119.74 115.10 1dk2 s LYS 81 Ca 0.00 -0.95 -0.04 0.00 -1.36 0.00 0.00 55.97 53.62 1dk2 s LYS 81 Cb 0.00 -0.62 0.14 0.00 -1.68 0.00 0.00 37.83 35.67 1dk2 s LYS 81 CO 0.00 -1.23 0.38 -1.17 -0.76 0.00 0.00 175.35 172.56 1dk2 s LEU 82 N 1.26 5.35 -0.04 3.17 2.96 -1.26 -4.92 118.68 125.21 1dk2 s LEU 82 Ca 0.20 -2.52 -0.04 0.00 -0.22 0.00 0.00 54.13 51.55 1dk2 s LEU 82 Cb -0.10 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 1dk2 s LEU 82 CO -0.05 -0.46 -0.07 -1.14 -1.32 0.00 0.00 176.35 173.31 1dk2 n ARG 83 N 3.96 0.11 -3.24 1.98 3.00 -1.26 -4.95 116.66 116.26 1dk2 n ARG 83 Ca 0.04 0.04 -0.19 0.00 -0.00 0.00 0.00 57.85 57.74 1dk2 n ARG 83 Cb 0.39 -0.69 -0.07 0.00 0.00 0.00 0.00 32.46 32.10 1dk2 n ARG 83 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1dk2 s LYS 84 N -1.39 0.87 -0.04 -0.14 3.01 -1.26 -5.11 119.74 115.68 1dk2 s LYS 84 Ca -0.06 -1.56 -0.00 0.00 -1.01 0.00 0.00 55.97 53.34 1dk2 s LYS 84 Cb 0.01 -0.93 0.03 0.00 -1.01 0.00 0.00 37.83 35.92 1dk2 s LYS 84 CO 0.09 -1.33 0.01 -0.51 0.51 0.00 0.00 175.35 174.12 1dk2 s LEU 85 N 0.59 0.84 -0.22 3.17 1.02 -1.26 -5.04 118.68 117.79 1dk2 s LEU 85 Ca 0.28 -0.02 -0.20 0.00 0.02 0.00 0.00 54.13 54.21 1dk2 s LEU 85 Cb -0.03 -0.25 -0.18 0.00 0.02 0.00 0.00 46.19 45.75 1dk2 s LEU 85 CO -0.11 -0.15 0.13 -0.62 0.02 0.00 0.00 176.35 175.61 1dk2 n GLU 86 N 4.58 0.57 0.00 1.70 1.02 -1.26 -5.16 120.64 122.09 1dk2 n GLU 86 Ca -0.18 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 1dk2 n GLU 86 Cb 0.50 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 1dk2 n GLU 86 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67