#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de2 s PHE 2 N 0.00 2.01 -0.10 1.12 0.40 -0.74 -3.98 117.98 116.68 1de2 s PHE 2 Ca 0.00 1.66 -0.01 0.00 -0.60 0.00 0.00 56.93 57.98 1de2 s PHE 2 Cb 0.00 -3.35 0.03 0.00 0.51 0.00 0.00 43.02 40.21 1de2 s PHE 2 CO 0.00 -2.51 -0.04 0.15 0.70 0.00 0.00 175.22 173.52 1de2 s LYS 3 N -4.32 1.14 -0.16 0.44 3.01 -0.74 -0.50 119.74 118.62 1de2 s LYS 3 Ca 0.69 -0.14 -0.06 0.00 -1.01 0.00 0.00 55.97 55.46 1de2 s LYS 3 Cb -0.25 -1.40 -0.04 0.00 -1.01 0.00 0.00 37.83 35.13 1de2 s LYS 3 CO 0.51 -0.31 0.04 0.08 0.51 0.00 0.00 175.35 176.18 1de2 s VAL 4 N 1.81 4.58 -0.46 3.17 1.01 -0.77 0.10 120.40 129.84 1de2 s VAL 4 Ca 0.04 -0.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 1de2 s VAL 4 Cb -0.13 -3.03 0.12 0.00 0.00 0.00 0.00 36.38 33.35 1de2 s VAL 4 CO -0.07 0.50 0.32 -0.31 0.00 0.00 0.00 175.10 175.54 1de2 s TYR 5 N 0.08 3.47 0.00 5.22 1.51 0.48 0.11 117.35 128.22 1de2 s TYR 5 Ca 0.04 -2.04 0.00 0.00 -1.01 0.00 0.00 57.07 54.06 1de2 s TYR 5 Cb -0.12 -3.43 0.00 0.00 -0.11 0.00 0.00 41.96 38.29 1de2 s TYR 5 CO 0.01 -0.99 0.00 0.41 -1.11 0.00 0.00 175.55 173.88 1de2 n GLY 6 N 4.78 3.45 3.44 0.71 0.00 -0.15 0.79 105.19 118.20 1de2 n GLY 6 Ca -0.06 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 1de2 n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1de2 s TYR 7 N -0.09 2.38 0.00 1.61 2.02 -1.26 -2.63 117.35 119.38 1de2 s TYR 7 Ca 0.00 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 1de2 s TYR 7 Cb 0.00 -1.24 0.00 0.00 -0.40 0.00 0.00 41.96 40.32 1de2 s TYR 7 CO 0.00 0.41 0.04 -0.25 -1.57 0.00 0.00 175.55 174.19 1de2 n ASP 8 N 0.61 0.00 0.00 2.29 9.92 -1.26 -4.91 116.55 123.20 1de2 n ASP 8 Ca -0.15 0.28 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 1de2 n ASP 8 Cb 0.54 -0.25 0.00 0.00 -0.64 0.00 0.00 41.12 40.77 1de2 n ASP 8 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1de2 n SER 9 N -1.24 0.00 0.15 -2.24 2.88 -1.19 -4.83 113.62 107.15 1de2 n SER 9 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 1de2 n SER 9 Cb 0.00 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 63.60 1de2 n SER 9 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1de2 h ASN 10 N 0.00 0.00 0.11 -3.46 -1.24 -2.01 -3.31 115.58 105.68 1de2 h ASN 10 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.66 1de2 h ASN 10 Cb 0.00 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 1de2 h ASN 10 CO 0.00 0.52 -1.89 0.40 -1.29 0.00 0.00 177.43 175.17 1de2 h ILE 11 N 0.00 0.68 -3.01 2.57 5.03 -1.92 -3.49 117.51 117.37 1de2 h ILE 11 Ca -0.01 -2.33 -0.12 0.00 -0.12 0.00 0.00 64.86 62.29 1de2 h ILE 11 Cb 1.22 2.49 -0.20 0.00 -3.03 0.00 0.00 36.82 37.30 1de2 h ILE 11 CO 0.07 0.83 -0.27 -2.28 -0.68 0.00 0.00 178.15 175.82 1de2 s HIS 12 N -2.53 -0.20 0.36 1.37 2.46 -1.24 -4.72 115.29 110.79 1de2 s HIS 12 Ca -0.23 0.31 -0.26 0.00 0.47 0.00 0.00 55.06 55.35 1de2 s HIS 12 Cb 0.06 0.10 -0.09 0.00 -0.13 0.00 0.00 32.58 32.53 1de2 s HIS 12 CO 0.75 -0.39 1.12 0.21 -2.47 0.00 0.00 174.74 173.97 1de2 s LYS 13 N -1.26 4.26 -0.30 2.88 2.36 -1.26 -3.17 119.74 123.25 1de2 s LYS 13 Ca -0.13 1.76 -0.16 0.00 -2.55 0.00 0.00 55.97 54.89 1de2 s LYS 13 Cb -0.05 -2.80 0.18 0.00 -1.05 0.00 0.00 37.83 34.11 1de2 s LYS 13 CO 0.04 -0.12 1.17 0.00 1.55 0.00 0.00 175.35 178.00 1de2 h VAL 15 N 4.38 0.00 0.00 0.00 -1.51 -1.96 -3.31 116.25 113.85 1de2 h VAL 15 Ca -0.11 -0.95 -0.01 0.00 -1.23 0.00 0.00 66.70 64.41 1de2 h VAL 15 Cb 1.17 1.60 -0.00 0.00 -2.13 0.00 0.00 31.29 31.93 1de2 h VAL 15 CO -0.18 0.00 -0.03 1.88 -1.23 0.00 0.00 177.57 178.02 1de2 h TYR 16 N 0.00 0.00 -0.18 5.19 0.05 -1.98 -3.17 116.97 116.89 1de2 h TYR 16 Ca 0.00 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.67 1de2 h TYR 16 Cb 0.97 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.71 1de2 h TYR 16 CO 0.00 0.03 -0.32 0.00 -1.05 0.00 0.00 178.16 176.82 1de2 h ASP 18 N 0.18 0.95 0.09 0.00 1.82 -1.74 -1.85 116.42 115.86 1de2 h ASP 18 Ca 0.01 -0.17 -0.00 0.00 -0.39 0.00 0.00 57.03 56.48 1de2 h ASP 18 Cb 0.91 -0.25 -0.00 0.00 0.68 0.00 0.00 39.33 40.67 1de2 h ASP 18 CO 0.07 0.86 -0.06 0.78 -1.61 0.00 0.00 179.24 179.29 1de2 h ASN 19 N 0.98 -0.14 0.10 2.28 2.35 -1.55 -2.10 115.58 117.51 1de2 h ASN 19 Ca 0.23 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 1de2 h ASN 19 Cb 0.20 0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 1de2 h ASN 19 CO -0.02 -0.09 -0.08 0.00 -1.65 0.00 0.00 177.43 175.59 1de2 h ALA 20 N 0.77 1.75 -0.62 -0.83 0.00 -1.33 -2.09 119.26 116.91 1de2 h ALA 20 Ca -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1de2 h ALA 20 Cb 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1de2 h ALA 20 CO 0.01 0.10 0.35 -0.22 0.00 0.00 0.00 179.25 179.49 1de2 h LYS 21 N 0.00 0.86 0.00 0.00 3.11 -0.65 -1.86 116.57 118.03 1de2 h LYS 21 Ca -0.00 -0.09 -0.08 0.00 -2.81 0.00 0.00 60.65 57.67 1de2 h LYS 21 Cb 0.15 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.20 1de2 h LYS 21 CO 0.01 0.64 -0.37 -0.09 -2.81 0.00 0.00 179.45 176.83 1de2 h ARG 22 N 0.84 0.00 0.52 1.90 2.43 -1.09 -2.90 114.38 116.08 1de2 h ARG 22 Ca 0.22 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 1de2 h ARG 22 Cb 0.02 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1de2 h ARG 22 CO -0.04 0.37 -0.37 1.25 -1.51 0.00 0.00 179.97 179.68 1de2 h LEU 23 N 0.00 -0.95 -0.99 3.80 6.46 -0.96 0.30 115.31 122.97 1de2 h LEU 23 Ca -0.00 0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.83 1de2 h LEU 23 Cb 0.77 0.29 -0.05 0.00 -0.73 0.00 0.00 40.66 40.94 1de2 h LEU 23 CO 0.05 -0.55 0.64 -0.07 -0.62 0.00 0.00 178.44 177.89 1de2 h LEU 24 N -0.86 1.16 -1.81 2.25 3.38 -1.50 -0.89 115.31 117.03 1de2 h LEU 24 Ca -0.06 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1de2 h LEU 24 Cb 0.72 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1de2 h LEU 24 CO 0.03 0.85 0.06 0.74 0.09 0.00 0.00 178.44 180.21 1de2 h THR 25 N 1.35 1.05 0.00 0.22 2.02 -1.26 -0.28 112.91 116.02 1de2 h THR 25 Ca 0.36 -0.15 -0.11 0.00 0.77 0.00 0.00 66.41 67.29 1de2 h THR 25 Cb -0.13 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1de2 h THR 25 CO -0.08 0.06 -0.52 0.58 0.37 0.00 0.00 175.52 175.94 1de2 h VAL 26 N 0.19 1.12 0.00 3.16 2.07 0.47 -3.00 116.25 120.26 1de2 h VAL 26 Ca 0.05 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 65.63 1de2 h VAL 26 Cb 0.02 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1de2 h VAL 26 CO -0.01 0.51 -0.27 0.11 0.02 0.00 0.00 177.57 177.93 1de2 h LYS 27 N 0.00 0.00 -3.44 1.57 6.56 -0.55 -3.48 116.57 117.23 1de2 h LYS 27 Ca -0.01 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.50 1de2 h LYS 27 Cb 1.09 0.00 0.06 0.00 -0.57 0.00 0.00 32.23 32.80 1de2 h LYS 27 CO 0.07 0.00 -0.24 1.17 -2.06 0.00 0.00 179.45 178.38 1de2 n LYS 28 N -2.62 -1.24 -4.05 3.15 3.00 -0.70 -5.08 118.16 110.61 1de2 n LYS 28 Ca 0.04 0.25 -0.13 0.00 -0.00 0.00 0.00 58.31 58.47 1de2 n LYS 28 Cb 0.49 -3.10 -0.13 0.00 0.00 0.00 0.00 35.03 32.29 1de2 n LYS 28 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1de2 s GLN 29 N -3.85 0.38 0.24 1.64 -1.52 -1.20 -5.08 119.66 110.26 1de2 s GLN 29 Ca 0.08 -0.43 -0.30 0.00 -1.95 0.00 0.00 55.36 52.76 1de2 s GLN 29 Cb -0.01 -0.22 -0.09 0.00 -0.22 0.00 0.00 33.01 32.47 1de2 s GLN 29 CO 0.22 0.05 1.02 -1.25 -0.25 0.00 0.00 175.29 175.07 1de2 s PRO 30 N -0.84 4.74 0.26 2.91 0.04 -1.26 -4.66 135.00 136.19 1de2 s PRO 30 Ca -0.05 1.63 -0.14 0.00 0.04 0.00 0.00 61.00 62.48 1de2 s PRO 30 Cb -0.06 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1de2 s PRO 30 CO -0.00 0.33 0.52 -0.59 0.04 0.00 0.00 177.00 177.31 1de2 s PHE 31 N -0.99 0.30 -0.02 0.56 -0.12 -1.26 -1.79 117.98 114.65 1de2 s PHE 31 Ca 0.44 -0.68 -0.06 0.00 -0.05 0.00 0.00 56.93 56.58 1de2 s PHE 31 Cb -0.28 0.27 0.00 0.00 -0.63 0.00 0.00 43.02 42.38 1de2 s PHE 31 CO 0.36 -1.05 0.12 -2.00 -0.05 0.00 0.00 175.22 172.60 1de2 s GLU 32 N -3.93 0.36 0.38 1.99 2.56 0.35 -4.83 118.70 115.57 1de2 s GLU 32 Ca 0.21 -0.21 -0.06 0.00 0.00 0.00 0.00 54.97 54.91 1de2 s GLU 32 Cb -0.02 0.15 -0.05 0.00 2.00 0.00 0.00 34.13 36.21 1de2 s GLU 32 CO 0.09 -0.08 0.68 0.12 -0.56 0.00 0.00 175.26 175.52 1de2 s PHE 33 N -0.88 3.50 -0.10 5.30 5.36 -1.26 -1.85 117.98 128.05 1de2 s PHE 33 Ca -0.10 0.79 -0.03 0.00 -0.96 0.00 0.00 56.93 56.62 1de2 s PHE 33 Cb -0.06 -2.24 0.05 0.00 -0.34 0.00 0.00 43.02 40.43 1de2 s PHE 33 CO 0.01 -0.04 0.16 0.42 -1.46 0.00 0.00 175.22 174.31 1de2 s ILE 34 N -2.37 -0.25 -0.15 3.12 1.01 0.31 -4.78 121.20 118.08 1de2 s ILE 34 Ca 0.47 0.29 -0.15 0.00 0.00 0.00 0.00 60.65 61.25 1de2 s ILE 34 Cb -0.10 -0.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 1de2 s ILE 34 CO 0.35 0.10 0.36 0.20 0.00 0.00 0.00 174.94 175.95 1de2 s ASN 35 N 2.29 6.51 0.22 3.58 0.01 -1.26 -0.98 114.94 125.31 1de2 s ASN 35 Ca 0.03 0.60 0.23 0.00 -0.71 0.00 0.00 52.86 53.02 1de2 s ASN 35 Cb -0.13 -2.22 0.24 0.00 0.41 0.00 0.00 41.25 39.55 1de2 s ASN 35 CO -0.06 0.05 1.30 0.16 -1.51 0.00 0.00 177.10 177.03 1de2 h ILE 36 N 4.74 0.00 -3.35 0.60 3.07 -1.88 -3.42 117.51 117.28 1de2 h ILE 36 Ca -0.40 -0.80 -0.63 0.00 1.55 0.00 0.00 64.86 64.57 1de2 h ILE 36 Cb 1.17 1.46 -0.41 0.00 -0.27 0.00 0.00 36.82 38.77 1de2 h ILE 36 CO 0.75 0.00 -0.68 -0.32 -1.05 0.00 0.00 178.15 176.86 1de2 s MET 37 N -3.25 1.67 0.29 0.16 0.00 -1.26 0.07 119.30 116.97 1de2 s MET 37 Ca 0.04 -2.27 0.25 0.00 0.00 0.00 0.00 55.69 53.72 1de2 s MET 37 Cb 0.10 -3.03 0.97 0.00 0.00 0.00 0.00 34.83 32.88 1de2 s MET 37 CO 0.73 -1.08 1.75 -1.00 0.00 0.00 0.00 175.02 175.43 1de2 h PRO 38 N 6.85 0.00 -3.85 4.11 0.13 -1.82 -3.44 132.00 133.98 1de2 h PRO 38 Ca -0.06 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.85 1de2 h PRO 38 Cb 0.93 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.80 1de2 h PRO 38 CO 0.60 0.00 -0.72 -1.83 -0.23 0.00 0.00 178.00 175.82 1de2 s GLU 39 N -3.31 0.12 0.00 0.86 -1.05 -1.26 -5.01 118.70 109.05 1de2 s GLU 39 Ca 0.05 -0.19 0.08 0.00 -0.15 0.00 0.00 54.97 54.76 1de2 s GLU 39 Cb 0.10 -0.00 0.37 0.00 -0.44 0.00 0.00 34.13 34.16 1de2 s GLU 39 CO 0.46 -0.00 1.22 1.63 0.95 0.00 0.00 175.26 179.51 1de2 n LYS 40 N 2.64 0.04 -0.05 -4.83 5.02 -1.26 -3.02 118.16 116.70 1de2 n LYS 40 Ca -0.15 0.31 -0.01 0.00 -2.02 0.00 0.00 58.31 56.44 1de2 n LYS 40 Cb 0.58 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 34.09 1de2 n LYS 40 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1de2 h GLY 41 N 1.39 0.00 -5.83 0.72 0.00 -1.96 -3.48 103.07 93.92 1de2 h GLY 41 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1de2 h GLY 41 CO 0.00 0.00 -0.37 0.14 0.00 0.00 0.00 176.54 176.31 1de2 s VAL 42 N -1.65 -0.14 1.22 4.60 1.01 -1.17 -5.16 120.40 119.11 1de2 s VAL 42 Ca -0.03 0.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.94 1de2 s VAL 42 Cb 0.00 -0.56 0.30 0.00 0.00 0.00 0.00 36.38 36.13 1de2 s VAL 42 CO 0.04 0.05 0.95 2.22 0.00 0.00 0.00 175.10 178.36 1de2 n PHE 43 N 4.49 -1.59 -2.90 5.22 1.16 -1.26 -4.28 117.46 118.30 1de2 n PHE 43 Ca -0.21 -0.23 -0.43 0.00 -1.87 0.00 0.00 57.45 54.71 1de2 n PHE 43 Cb 0.54 -1.65 -0.03 0.00 -1.61 0.00 0.00 39.48 36.72 1de2 n PHE 43 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1de2 s ASP 44 N -2.38 6.33 0.55 5.98 -1.08 0.11 -4.88 116.67 121.30 1de2 s ASP 44 Ca 0.68 -1.39 0.27 0.00 -0.52 0.00 0.00 52.55 51.60 1de2 s ASP 44 Cb -0.25 -2.40 1.45 0.00 -1.46 0.00 0.00 42.92 40.26 1de2 s ASP 44 CO 0.66 -1.29 1.97 -0.78 0.52 0.00 0.00 175.17 176.25 1de2 h ASP 45 N 9.29 0.00 -0.71 -0.34 3.58 -1.91 -1.05 116.42 125.28 1de2 h ASP 45 Ca -0.13 0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.44 1de2 h ASP 45 Cb 1.06 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.02 1de2 h ASP 45 CO 1.15 0.00 0.29 -0.08 -2.88 0.00 0.00 179.24 177.72 1de2 h GLU 46 N 0.00 0.45 0.03 0.28 4.81 -1.95 0.49 114.58 118.69 1de2 h GLU 46 Ca 0.26 -0.03 -0.22 0.00 -0.13 0.00 0.00 59.36 59.24 1de2 h GLU 46 Cb 1.12 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1de2 h GLU 46 CO -0.00 0.30 -1.05 0.87 -0.73 0.00 0.00 179.01 178.39 1de2 h LYS 47 N 0.46 0.06 -0.50 1.92 1.79 -1.56 -2.96 116.57 115.78 1de2 h LYS 47 Ca 0.38 -0.10 -0.03 0.00 -2.18 0.00 0.00 60.65 58.72 1de2 h LYS 47 Cb 0.52 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.18 1de2 h LYS 47 CO -0.36 1.04 0.19 0.82 -1.08 0.00 0.00 179.45 180.07 1de2 h ILE 48 N 0.02 1.21 0.35 1.86 1.08 -0.66 -0.38 117.51 120.99 1de2 h ILE 48 Ca -0.04 -0.67 -0.02 0.00 -0.39 0.00 0.00 64.86 63.75 1de2 h ILE 48 Cb 1.81 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 36.29 1de2 h ILE 48 CO 0.15 0.25 -0.17 0.00 -0.69 0.00 0.00 178.15 177.69 1de2 h ALA 49 N 1.04 -0.48 -0.50 1.87 0.00 -0.16 -2.88 119.26 118.15 1de2 h ALA 49 Ca 0.17 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.01 1de2 h ALA 49 Cb 0.20 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1de2 h ALA 49 CO -0.01 -0.57 0.35 1.05 0.00 0.00 0.00 179.25 180.07 1de2 h GLU 50 N -0.87 0.11 0.86 0.00 4.11 -1.53 -2.09 114.58 115.16 1de2 h GLU 50 Ca -0.05 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.33 1de2 h GLU 50 Cb 0.53 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1de2 h GLU 50 CO 0.08 0.07 -0.45 1.25 0.07 0.00 0.00 179.01 180.03 1de2 h LEU 51 N 0.12 -1.10 -0.91 3.06 5.85 -0.96 0.41 115.31 121.79 1de2 h LEU 51 Ca 0.24 0.05 0.26 0.00 0.84 0.00 0.00 57.88 59.26 1de2 h LEU 51 Cb 0.79 0.30 -0.15 0.00 0.37 0.00 0.00 40.66 41.97 1de2 h LEU 51 CO -0.03 -0.74 0.26 -0.07 -0.34 0.00 0.00 178.44 177.52 1de2 h LEU 52 N -1.20 0.01 -0.97 2.25 3.38 -1.16 1.22 115.31 118.83 1de2 h LEU 52 Ca -0.12 0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1de2 h LEU 52 Cb 0.94 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1de2 h LEU 52 CO 0.16 -0.19 -0.47 0.74 0.09 0.00 0.00 178.44 178.77 1de2 h THR 53 N 0.18 1.34 -0.61 0.22 2.02 -1.30 -2.99 112.91 111.77 1de2 h THR 53 Ca 0.59 -1.65 -0.08 0.00 0.77 0.00 0.00 66.41 66.04 1de2 h THR 53 Cb 1.24 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 69.47 1de2 h THR 53 CO -0.69 0.48 0.08 0.50 0.37 0.00 0.00 175.52 176.26 1de2 h LYS 54 N 0.08 1.03 0.63 6.66 3.64 0.37 -3.20 116.57 125.77 1de2 h LYS 54 Ca 0.00 -0.29 -0.03 0.00 -1.27 0.00 0.00 60.65 59.07 1de2 h LYS 54 Cb 0.87 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1de2 h LYS 54 CO 0.07 0.97 -0.33 -0.07 -2.27 0.00 0.00 179.45 177.81 1de2 h LEU 55 N 0.94 -0.81 0.00 5.20 4.07 -1.04 -3.44 115.31 120.23 1de2 h LEU 55 Ca 0.18 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1de2 h LEU 55 Cb 0.45 0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.42 1de2 h LEU 55 CO 0.02 -0.55 0.00 0.61 -1.08 0.00 0.00 178.44 177.44 1de2 n GLY 56 N -1.48 -0.89 1.44 0.83 0.00 -1.18 -4.85 105.19 99.06 1de2 n GLY 56 Ca -0.13 0.66 -0.02 0.00 0.00 0.00 0.00 46.02 46.54 1de2 n GLY 56 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1de2 n ARG 57 N 0.00 0.20 0.00 1.61 0.63 -1.26 -4.65 116.66 113.20 1de2 n ARG 57 Ca 0.00 -1.59 0.00 0.00 -0.92 0.00 0.00 57.85 55.34 1de2 n ARG 57 Cb 0.00 0.15 0.00 0.00 0.45 0.00 0.00 32.46 33.06 1de2 n ARG 57 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1de2 n ASP 58 N 0.07 0.00 -4.62 6.15 8.00 -1.26 -5.15 116.55 119.73 1de2 n ASP 58 Ca -0.11 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.11 1de2 n ASP 58 Cb 0.91 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.90 1de2 n ASP 58 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1de2 s THR 59 N 2.24 1.94 -0.65 -3.53 -1.32 -1.26 -4.97 115.64 108.09 1de2 s THR 59 Ca 0.00 -2.00 -0.20 0.00 -1.21 0.00 0.00 61.69 58.28 1de2 s THR 59 Cb 0.00 -2.97 0.10 0.00 -1.51 0.00 0.00 72.50 68.12 1de2 s THR 59 CO 0.00 0.00 0.84 0.00 -2.21 0.00 0.00 174.62 173.25 1de2 s GLN 60 N -3.72 3.13 -1.15 7.08 -2.07 -1.26 -4.98 119.66 116.69 1de2 s GLN 60 Ca 0.34 -1.22 -0.21 0.00 -1.82 0.00 0.00 55.36 52.46 1de2 s GLN 60 Cb 0.10 -4.32 0.06 0.00 -1.09 0.00 0.00 33.01 27.76 1de2 s GLN 60 CO 0.17 -1.66 1.60 0.42 -1.32 0.00 0.00 175.29 174.51 1de2 s ILE 61 N 3.11 4.01 -1.46 3.63 1.09 -1.26 -4.16 121.20 126.16 1de2 s ILE 61 Ca 0.17 -1.31 0.00 0.00 -1.10 0.00 0.00 60.65 58.41 1de2 s ILE 61 Cb -0.19 -5.11 0.00 0.00 -1.06 0.00 0.00 42.46 36.10 1de2 s ILE 61 CO 0.06 -1.96 0.00 0.61 -0.10 0.00 0.00 174.94 173.55 1de2 n GLY 62 N 6.16 0.04 3.57 6.18 0.00 -1.26 -4.89 105.19 114.99 1de2 n GLY 62 Ca 0.41 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.04 1de2 n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1de2 n LEU 63 N -2.67 2.56 -4.59 0.99 7.99 -1.26 -5.01 117.00 115.01 1de2 n LEU 63 Ca -0.18 0.83 -0.27 0.00 -0.01 0.00 0.00 56.01 56.38 1de2 n LEU 63 Cb 0.61 -1.31 -0.11 0.00 -0.11 0.00 0.00 43.42 42.50 1de2 n LEU 63 CO 0.23 -2.16 -0.29 0.42 -1.51 0.00 0.00 177.39 174.08 1de2 s THR 64 N -1.53 1.82 0.25 -5.08 -4.23 -1.26 -5.15 115.64 100.46 1de2 s THR 64 Ca 0.71 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.32 1de2 s THR 64 Cb -0.45 -2.94 -0.04 0.00 1.34 0.00 0.00 72.50 70.40 1de2 s THR 64 CO 0.51 0.00 -0.07 -0.04 -0.54 0.00 0.00 174.62 174.48 1de2 s MET 65 N -3.75 2.09 0.35 3.99 -1.94 -1.26 -4.35 119.30 114.43 1de2 s MET 65 Ca 0.35 -1.48 -0.14 0.00 -1.71 0.00 0.00 55.69 52.71 1de2 s MET 65 Cb 0.10 -2.06 -0.08 0.00 2.01 0.00 0.00 34.83 34.79 1de2 s MET 65 CO 0.17 0.37 0.75 -1.25 -0.01 0.00 0.00 175.02 175.05 1de2 s PRO 66 N -3.47 3.94 -0.24 2.03 0.05 -1.26 -5.02 135.00 131.03 1de2 s PRO 66 Ca 0.30 0.62 -0.04 0.00 0.05 0.00 0.00 61.00 61.92 1de2 s PRO 66 Cb -0.06 -2.41 0.00 0.00 0.05 0.00 0.00 34.50 32.07 1de2 s PRO 66 CO 0.18 0.09 -0.02 -0.65 0.05 0.00 0.00 177.00 176.65 1de2 s GLN 67 N -3.25 3.21 0.52 4.56 -1.52 0.24 -3.97 119.66 119.45 1de2 s GLN 67 Ca 0.53 -0.74 -0.01 0.00 -1.95 0.00 0.00 55.36 53.19 1de2 s GLN 67 Cb -0.10 -3.09 0.01 0.00 -0.22 0.00 0.00 33.01 29.61 1de2 s GLN 67 CO 0.22 -0.29 0.77 0.08 -0.25 0.00 0.00 175.29 175.81 1de2 s VAL 68 N 1.45 3.47 -0.01 1.09 1.01 0.54 0.18 120.40 128.13 1de2 s VAL 68 Ca 0.04 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 1de2 s VAL 68 Cb -0.15 -3.32 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 1de2 s VAL 68 CO -0.02 -0.25 0.06 -0.36 0.00 0.00 0.00 175.10 174.52 1de2 s PHE 69 N -2.74 0.02 0.69 5.22 0.08 0.29 -2.95 117.98 118.58 1de2 s PHE 69 Ca 0.53 -0.02 -0.17 0.00 0.12 0.00 0.00 56.93 57.39 1de2 s PHE 69 Cb -0.10 -0.03 -0.03 0.00 -0.57 0.00 0.00 43.02 42.29 1de2 s PHE 69 CO 0.40 -0.11 0.79 0.00 -0.10 0.00 0.00 175.22 176.20 1de2 n ALA 70 N 2.47 -0.65 0.24 5.36 0.00 0.35 -1.79 120.51 126.49 1de2 n ALA 70 Ca -0.16 -0.15 0.11 0.00 0.00 0.00 0.00 53.44 53.23 1de2 n ALA 70 Cb 0.58 -2.01 0.72 0.00 0.00 0.00 0.00 19.45 18.74 1de2 n ALA 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1de2 h PRO 71 N -0.11 0.00 0.00 0.00 0.11 -1.90 -2.18 132.00 127.92 1de2 h PRO 71 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1de2 h PRO 71 Cb 1.35 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 1de2 h PRO 71 CO 0.46 0.00 -1.64 -0.25 -0.21 0.00 0.00 178.00 176.37 1de2 n ASP 72 N -4.33 0.36 0.00 -2.05 9.92 -1.26 -3.64 116.55 115.54 1de2 n ASP 72 Ca -0.02 0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.39 1de2 n ASP 72 Cb 0.15 1.27 0.00 0.00 -0.64 0.00 0.00 41.12 41.90 1de2 n ASP 72 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1de2 n GLY 73 N 1.27 1.13 3.57 0.44 0.00 -0.82 -5.14 105.19 105.65 1de2 n GLY 73 Ca -0.05 -0.49 -0.07 0.00 0.00 0.00 0.00 46.02 45.42 1de2 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1de2 s SER 74 N 0.00 -0.31 -0.11 1.61 0.01 -1.26 -4.86 113.70 108.78 1de2 s SER 74 Ca 0.00 -0.11 -0.19 0.00 1.31 0.00 0.00 55.95 56.96 1de2 s SER 74 Cb 0.00 0.41 -0.04 0.00 0.21 0.00 0.00 66.02 66.60 1de2 s SER 74 CO 0.00 -0.69 0.53 -2.28 0.41 0.00 0.00 173.24 171.21 1de2 s HIS 75 N -3.15 3.52 -0.06 2.43 2.46 -1.26 0.13 115.29 119.35 1de2 s HIS 75 Ca 0.07 0.97 -0.01 0.00 0.47 0.00 0.00 55.06 56.56 1de2 s HIS 75 Cb -0.01 -2.62 -0.03 0.00 -0.13 0.00 0.00 32.58 29.78 1de2 s HIS 75 CO -0.06 0.13 -0.06 -0.89 -2.47 0.00 0.00 174.74 171.39 1de2 n ILE 76 N 3.76 0.33 0.00 0.89 -0.00 -1.15 -4.83 119.36 118.36 1de2 n ILE 76 Ca -0.05 -0.11 0.00 0.00 -0.00 0.00 0.00 62.75 62.58 1de2 n ILE 76 Cb 0.51 -1.02 0.00 0.00 -0.00 0.00 0.00 39.64 39.13 1de2 n ILE 76 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1de2 n GLY 77 N 3.00 0.37 0.00 7.39 0.00 -1.22 -4.25 105.19 110.48 1de2 n GLY 77 Ca -0.11 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.72 1de2 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1de2 n GLY 78 N 0.00 1.03 0.00 -0.02 0.00 -1.25 -0.34 105.19 104.61 1de2 n GLY 78 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1de2 n GLY 78 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1de2 n PHE 79 N 0.00 0.00 -0.27 1.61 -0.00 -1.26 -1.23 117.46 116.31 1de2 n PHE 79 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.53 1de2 n PHE 79 Cb 0.00 -0.49 0.22 0.00 -0.00 0.00 0.00 39.48 39.21 1de2 n PHE 79 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1de2 h ASP 80 N 0.00 0.13 -0.41 -2.13 1.82 -1.98 0.85 116.42 114.71 1de2 h ASP 80 Ca 0.00 0.15 -0.03 0.00 -0.39 0.00 0.00 57.03 56.76 1de2 h ASP 80 Cb 0.00 0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.16 1de2 h ASP 80 CO 0.00 -0.02 0.14 -0.61 -1.61 0.00 0.00 179.24 177.15 1de2 h GLN 81 N 0.33 0.62 -0.24 0.28 5.75 -1.87 -2.76 115.11 117.22 1de2 h GLN 81 Ca 0.47 -0.12 -0.10 0.00 -0.15 0.00 0.00 58.65 58.74 1de2 h GLN 81 Cb 0.82 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.27 1de2 h GLN 81 CO -0.51 0.60 -0.25 1.25 -2.65 0.00 0.00 178.83 177.27 1de2 h LEU 82 N 0.51 0.64 -1.84 -2.39 6.46 0.52 -2.74 115.31 116.46 1de2 h LEU 82 Ca 0.13 -0.48 0.24 0.00 -0.12 0.00 0.00 57.88 57.65 1de2 h LEU 82 Cb 0.23 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 39.93 1de2 h LEU 82 CO -0.01 0.99 0.61 -0.09 -0.62 0.00 0.00 178.44 179.32 1de2 h ARG 83 N 0.30 0.12 -0.05 1.25 2.43 0.67 1.53 114.38 120.62 1de2 h ARG 83 Ca 0.04 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.04 1de2 h ARG 83 Cb 0.81 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 1de2 h ARG 83 CO 0.06 0.08 -0.66 0.93 -1.51 0.00 0.00 179.97 178.87 1de2 h GLU 84 N 0.12 0.22 -0.10 0.20 3.07 -1.21 1.53 114.58 118.41 1de2 h GLU 84 Ca 0.43 -0.17 -0.10 0.00 -0.50 0.00 0.00 59.36 59.02 1de2 h GLU 84 Cb 1.49 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.42 1de2 h GLU 84 CO -0.06 0.80 -0.39 -0.92 -1.40 0.00 0.00 179.01 177.04 1de2 h TYR 85 N 0.15 0.26 0.00 4.33 5.03 0.23 -3.37 116.97 123.60 1de2 h TYR 85 Ca -0.01 -0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.23 1de2 h TYR 85 Cb 1.19 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.41 1de2 h TYR 85 CO 0.02 0.59 0.00 1.19 -1.32 0.00 0.00 178.16 178.64 1de2 n PHE 86 N -4.04 0.00 -0.05 -3.82 3.72 0.27 -5.10 117.46 108.43 1de2 n PHE 86 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1de2 n PHE 86 Cb 0.46 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 1de2 n PHE 86 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07