#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de1 s PHE 2 N 0.00 2.44 -0.11 1.12 0.40 -0.74 -3.92 117.98 117.18 1de1 s PHE 2 Ca 0.00 1.55 0.01 0.00 -0.60 0.00 0.00 56.93 57.89 1de1 s PHE 2 Cb 0.00 -3.36 0.02 0.00 0.51 0.00 0.00 43.02 40.19 1de1 s PHE 2 CO 0.00 -2.02 -0.13 0.15 0.70 0.00 0.00 175.22 173.92 1de1 s LYS 3 N -3.63 2.00 -0.16 0.44 3.01 -0.76 0.62 119.74 121.26 1de1 s LYS 3 Ca 0.73 -0.47 -0.07 0.00 -1.01 0.00 0.00 55.97 55.15 1de1 s LYS 3 Cb -0.26 -1.78 -0.04 0.00 -1.01 0.00 0.00 37.83 34.74 1de1 s LYS 3 CO 0.36 -0.11 0.07 0.08 0.51 0.00 0.00 175.35 176.26 1de1 s VAL 4 N 1.15 4.86 -0.47 3.17 1.01 -0.19 0.50 120.40 130.42 1de1 s VAL 4 Ca -0.04 -0.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 1de1 s VAL 4 Cb -0.14 -3.16 0.12 0.00 0.00 0.00 0.00 36.38 33.20 1de1 s VAL 4 CO -0.03 0.50 0.32 -0.31 0.00 0.00 0.00 175.10 175.57 1de1 s TYR 5 N 0.03 3.49 0.00 5.22 1.51 0.60 0.13 117.35 128.34 1de1 s TYR 5 Ca 0.06 -2.13 0.00 0.00 -1.01 0.00 0.00 57.07 53.99 1de1 s TYR 5 Cb -0.12 -3.39 0.00 0.00 -0.11 0.00 0.00 41.96 38.34 1de1 s TYR 5 CO 0.01 -0.98 0.00 0.41 -1.11 0.00 0.00 175.55 173.88 1de1 n GLY 6 N 4.66 3.76 2.93 0.71 0.00 0.88 0.11 105.19 118.23 1de1 n GLY 6 Ca -0.04 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 1de1 n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1de1 s TYR 7 N 0.40 1.57 -0.69 1.61 1.51 -1.26 -0.58 117.35 119.89 1de1 s TYR 7 Ca 0.00 -0.79 0.05 0.00 -1.01 0.00 0.00 57.07 55.32 1de1 s TYR 7 Cb 0.00 -1.27 0.26 0.00 -0.11 0.00 0.00 41.96 40.85 1de1 s TYR 7 CO 0.00 -0.52 0.86 -0.25 -1.11 0.00 0.00 175.55 174.53 1de1 n ASP 8 N 4.85 4.16 0.00 2.29 9.92 -1.26 -4.65 116.55 131.85 1de1 n ASP 8 Ca -0.14 -3.46 0.00 0.00 -0.53 0.00 0.00 54.79 50.66 1de1 n ASP 8 Cb 0.50 -0.74 0.00 0.00 -0.64 0.00 0.00 41.12 40.24 1de1 n ASP 8 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1de1 n SER 9 N 0.82 0.00 -0.44 -2.24 2.88 -1.26 -4.98 113.62 108.40 1de1 n SER 9 Ca 0.30 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.90 1de1 n SER 9 Cb 0.40 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.10 1de1 n SER 9 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1de1 n ASN 10 N 0.32 1.29 0.10 -3.46 0.23 -1.26 -3.34 115.26 109.15 1de1 n ASN 10 Ca 0.00 -1.84 0.12 0.00 -0.53 0.00 0.00 54.58 52.33 1de1 n ASN 10 Cb 0.00 -0.13 0.11 0.00 -2.08 0.00 0.00 39.78 37.68 1de1 n ASN 10 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 1de1 h ILE 11 N 1.53 0.00 -1.53 1.53 1.08 -1.93 -3.45 117.51 114.73 1de1 h ILE 11 Ca 0.00 -0.79 0.12 0.00 -0.39 0.00 0.00 64.86 63.80 1de1 h ILE 11 Cb 0.34 1.41 -0.23 0.00 -3.07 0.00 0.00 36.82 35.28 1de1 h ILE 11 CO 0.00 0.00 0.11 -2.28 -0.69 0.00 0.00 178.15 175.29 1de1 s HIS 12 N -3.26 -0.93 0.54 1.37 2.46 -1.21 -4.88 115.29 109.38 1de1 s HIS 12 Ca 0.04 1.67 -0.17 0.00 0.47 0.00 0.00 55.06 57.07 1de1 s HIS 12 Cb 0.10 0.56 -0.06 0.00 -0.13 0.00 0.00 32.58 33.05 1de1 s HIS 12 CO 0.74 -0.46 1.01 -1.59 -2.47 0.00 0.00 174.74 171.97 1de1 s LYS 13 N 2.33 3.72 -0.35 2.88 -2.85 -1.26 -4.22 119.74 119.99 1de1 s LYS 13 Ca -0.06 1.08 0.07 0.00 -1.00 0.00 0.00 55.97 56.06 1de1 s LYS 13 Cb -0.08 -2.10 0.19 0.00 -2.06 0.00 0.00 37.83 33.79 1de1 s LYS 13 CO -0.18 -0.47 0.60 0.00 0.10 0.00 0.00 175.35 175.40 1de1 h VAL 15 N 5.54 1.38 0.00 0.00 -1.51 -1.97 -3.08 116.25 116.60 1de1 h VAL 15 Ca 0.02 -2.26 -0.00 0.00 -1.23 0.00 0.00 66.70 63.22 1de1 h VAL 15 Cb 1.18 2.24 -0.00 0.00 -2.13 0.00 0.00 31.29 32.58 1de1 h VAL 15 CO 0.13 0.68 -0.00 1.88 -1.23 0.00 0.00 177.57 179.03 1de1 h TYR 16 N 0.29 0.00 0.60 5.19 0.05 -1.99 -3.04 116.97 118.07 1de1 h TYR 16 Ca -0.06 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.69 1de1 h TYR 16 Cb 1.45 0.00 0.01 0.00 1.01 0.00 0.00 36.73 39.19 1de1 h TYR 16 CO 0.06 0.00 -0.29 0.00 -1.05 0.00 0.00 178.16 176.88 1de1 h ASP 18 N -1.12 0.58 0.25 0.00 3.58 -1.67 0.74 116.42 118.78 1de1 h ASP 18 Ca -0.08 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 1de1 h ASP 18 Cb 0.62 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1de1 h ASP 18 CO 0.14 0.28 -0.12 0.78 -2.88 0.00 0.00 179.24 177.44 1de1 h ASN 19 N 0.68 -0.29 -0.09 2.28 2.35 -1.56 -2.52 115.58 116.43 1de1 h ASN 19 Ca 0.43 -0.06 0.01 0.00 -0.55 0.00 0.00 56.30 56.14 1de1 h ASN 19 Cb 0.53 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 1de1 h ASN 19 CO -0.32 -0.12 0.01 0.00 -1.65 0.00 0.00 177.43 175.35 1de1 h ALA 20 N 0.29 0.08 -1.00 -0.83 0.00 -0.58 -1.65 119.26 115.56 1de1 h ALA 20 Ca -0.03 0.02 0.27 0.00 0.00 0.00 0.00 54.91 55.16 1de1 h ALA 20 Cb 0.33 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1de1 h ALA 20 CO 0.06 -0.46 0.69 -0.22 0.00 0.00 0.00 179.25 179.32 1de1 h LYS 21 N 0.04 0.18 -0.34 0.00 3.64 -0.83 0.41 116.57 119.67 1de1 h LYS 21 Ca 0.04 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.26 1de1 h LYS 21 Cb 0.04 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1de1 h LYS 21 CO -0.06 0.12 -0.39 -0.09 -2.27 0.00 0.00 179.45 176.76 1de1 h ARG 22 N 0.18 0.82 0.29 1.90 9.65 -0.85 -2.77 114.38 123.60 1de1 h ARG 22 Ca 0.51 -0.43 -0.00 0.00 -1.10 0.00 0.00 59.98 58.96 1de1 h ARG 22 Cb 1.68 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 30.26 1de1 h ARG 22 CO -0.12 1.06 -0.22 1.25 2.80 0.00 0.00 179.97 184.75 1de1 h LEU 23 N 0.67 -0.56 -0.76 3.80 6.46 0.11 -1.82 115.31 123.21 1de1 h LEU 23 Ca 0.06 0.04 0.10 0.00 -0.12 0.00 0.00 57.88 57.96 1de1 h LEU 23 Cb 0.96 0.18 -0.07 0.00 -0.73 0.00 0.00 40.66 40.99 1de1 h LEU 23 CO 0.09 -0.33 0.40 -0.07 -0.62 0.00 0.00 178.44 177.91 1de1 h LEU 24 N -0.51 0.54 -1.69 2.25 3.38 -1.48 0.21 115.31 118.01 1de1 h LEU 24 Ca -0.02 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1de1 h LEU 24 Cb 0.44 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1de1 h LEU 24 CO -0.00 0.31 0.28 0.74 0.09 0.00 0.00 178.44 179.85 1de1 h THR 25 N 0.67 1.00 0.01 0.22 2.02 -1.18 0.55 112.91 116.20 1de1 h THR 25 Ca 0.37 -0.13 -0.21 0.00 0.77 0.00 0.00 66.41 67.22 1de1 h THR 25 Cb 0.39 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1de1 h THR 25 CO -0.27 0.07 -0.97 0.58 0.37 0.00 0.00 175.52 175.31 1de1 h VAL 26 N 0.39 1.65 -0.00 3.16 2.07 0.12 -3.15 116.25 120.50 1de1 h VAL 26 Ca 0.18 -3.18 0.00 0.00 0.82 0.00 0.00 66.70 64.51 1de1 h VAL 26 Cb 0.21 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1de1 h VAL 26 CO -0.04 0.91 -0.04 0.29 0.02 0.00 0.00 177.57 178.71 1de1 n LYS 27 N -3.44 0.02 -2.92 1.57 4.01 0.45 -4.95 118.16 112.90 1de1 n LYS 27 Ca -0.01 -0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.67 1de1 n LYS 27 Cb 0.90 -1.50 0.06 0.00 -0.51 0.00 0.00 35.03 33.98 1de1 n LYS 27 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1de1 n LYS 28 N -1.49 -2.77 -4.31 1.97 4.76 0.01 -5.04 118.16 111.29 1de1 n LYS 28 Ca 0.07 0.66 -0.21 0.00 -2.87 0.00 0.00 58.31 55.96 1de1 n LYS 28 Cb 0.33 -4.91 -0.16 0.00 -1.84 0.00 0.00 35.03 28.46 1de1 n LYS 28 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1de1 s GLN 29 N -4.37 1.09 0.25 1.97 -1.52 -1.07 -5.06 119.66 110.95 1de1 s GLN 29 Ca 0.24 -0.21 -0.30 0.00 -1.95 0.00 0.00 55.36 53.15 1de1 s GLN 29 Cb -0.03 -1.00 -0.09 0.00 -0.22 0.00 0.00 33.01 31.67 1de1 s GLN 29 CO 0.56 -0.03 1.13 -1.25 -0.25 0.00 0.00 175.29 175.45 1de1 s PRO 30 N 0.77 4.59 0.27 2.91 0.04 -1.26 -4.65 135.00 137.67 1de1 s PRO 30 Ca -0.12 1.82 -0.16 0.00 0.04 0.00 0.00 61.00 62.59 1de1 s PRO 30 Cb -0.14 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.19 1de1 s PRO 30 CO 0.01 0.11 0.58 -0.59 0.04 0.00 0.00 177.00 177.15 1de1 s PHE 31 N -0.78 0.17 -0.01 0.56 -0.71 -1.26 -1.78 117.98 114.17 1de1 s PHE 31 Ca 0.47 -0.58 -0.02 0.00 -1.04 0.00 0.00 56.93 55.76 1de1 s PHE 31 Cb -0.32 0.40 -0.00 0.00 -1.21 0.00 0.00 43.02 41.89 1de1 s PHE 31 CO 0.40 -1.12 0.05 -2.00 -1.34 0.00 0.00 175.22 171.21 1de1 s GLU 32 N -3.88 0.19 0.47 1.99 2.12 0.20 -4.84 118.70 114.96 1de1 s GLU 32 Ca 0.18 -0.17 -0.03 0.00 0.36 0.00 0.00 54.97 55.31 1de1 s GLU 32 Cb -0.03 0.08 -0.02 0.00 0.26 0.00 0.00 34.13 34.42 1de1 s GLU 32 CO 0.09 -0.03 0.74 0.12 -0.54 0.00 0.00 175.26 175.64 1de1 s PHE 33 N -0.56 3.40 -0.16 5.30 5.36 -1.26 -1.03 117.98 129.04 1de1 s PHE 33 Ca -0.06 0.56 -0.05 0.00 -0.96 0.00 0.00 56.93 56.41 1de1 s PHE 33 Cb -0.04 -2.33 0.07 0.00 -0.34 0.00 0.00 43.02 40.39 1de1 s PHE 33 CO 0.00 -0.35 0.32 0.42 -1.46 0.00 0.00 175.22 174.15 1de1 s ILE 34 N -2.68 -0.50 0.05 3.12 1.01 0.35 -4.72 121.20 117.84 1de1 s ILE 34 Ca 0.48 0.24 -0.19 0.00 0.00 0.00 0.00 60.65 61.17 1de1 s ILE 34 Cb -0.10 -0.53 -0.06 0.00 0.01 0.00 0.00 42.46 41.78 1de1 s ILE 34 CO 0.42 0.10 0.55 0.21 0.00 0.00 0.00 174.94 176.21 1de1 s ASN 35 N 2.49 7.02 -0.13 3.58 2.47 -1.26 -0.09 114.94 129.02 1de1 s ASN 35 Ca 0.00 1.21 0.19 0.00 0.42 0.00 0.00 52.86 54.69 1de1 s ASN 35 Cb -0.12 -2.34 -0.28 0.00 -1.45 0.00 0.00 41.25 37.05 1de1 s ASN 35 CO -0.10 0.26 0.25 2.30 -3.72 0.00 0.00 177.10 176.09 1de1 n ILE 36 N 1.86 0.86 -3.93 -5.21 -6.64 0.25 -4.76 119.36 101.79 1de1 n ILE 36 Ca -0.10 -0.72 -0.30 0.00 -1.77 0.00 0.00 62.75 59.85 1de1 n ILE 36 Cb 0.51 -0.29 -0.13 0.00 -1.44 0.00 0.00 39.64 38.28 1de1 n ILE 36 CO 0.00 0.00 0.00 -0.32 -1.77 0.00 0.00 176.55 174.46 1de1 s MET 37 N -2.89 2.08 0.00 6.28 0.00 -1.26 0.13 119.30 123.64 1de1 s MET 37 Ca -0.09 -2.70 0.28 0.00 0.00 0.00 0.00 55.69 53.17 1de1 s MET 37 Cb 0.09 -3.37 1.34 0.00 0.00 0.00 0.00 34.83 32.89 1de1 s MET 37 CO 0.86 -1.13 1.93 -0.35 0.00 0.00 0.00 175.02 176.33 1de1 n PRO 38 N 3.00 0.28 -3.93 4.11 -0.04 -1.26 -4.77 135.00 132.39 1de1 n PRO 38 Ca 0.07 0.03 -0.12 0.00 -0.04 0.00 0.00 63.50 63.43 1de1 n PRO 38 Cb 0.33 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.15 1de1 n PRO 38 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1de1 s GLU 39 N -2.69 0.12 0.00 0.54 2.12 -1.26 -5.02 118.70 112.50 1de1 s GLU 39 Ca 0.23 -0.14 0.14 0.00 0.36 0.00 0.00 54.97 55.55 1de1 s GLU 39 Cb 0.18 -0.04 0.64 0.00 0.26 0.00 0.00 34.13 35.17 1de1 s GLU 39 CO 0.44 0.01 1.40 1.17 -0.54 0.00 0.00 175.26 177.74 1de1 n LYS 40 N 2.78 0.10 -0.06 4.30 4.81 -1.26 -3.29 118.16 125.55 1de1 n LYS 40 Ca -0.14 0.21 -0.02 0.00 -0.87 0.00 0.00 58.31 57.49 1de1 n LYS 40 Cb 0.59 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.13 1de1 n LYS 40 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1de1 h GLY 41 N 2.30 0.00 -5.77 3.14 0.00 -1.97 -3.48 103.07 97.29 1de1 h GLY 41 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1de1 h GLY 41 CO 0.00 0.00 -0.35 0.14 0.00 0.00 0.00 176.54 176.33 1de1 s VAL 42 N -1.80 -0.09 1.19 4.60 1.01 -1.21 -5.16 120.40 118.94 1de1 s VAL 42 Ca -0.06 0.12 -0.15 0.00 0.00 0.00 0.00 61.98 61.89 1de1 s VAL 42 Cb 0.01 -0.57 0.26 0.00 0.00 0.00 0.00 36.38 36.08 1de1 s VAL 42 CO 0.09 0.05 0.74 2.22 0.00 0.00 0.00 175.10 178.20 1de1 n PHE 43 N 4.38 -1.49 -2.51 5.22 1.16 -1.26 -4.34 117.46 118.62 1de1 n PHE 43 Ca -0.22 -0.13 -0.40 0.00 -1.87 0.00 0.00 57.45 54.83 1de1 n PHE 43 Cb 0.54 -1.64 -0.03 0.00 -1.61 0.00 0.00 39.48 36.75 1de1 n PHE 43 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1de1 s ASP 44 N -2.24 6.43 0.63 5.98 2.15 0.35 -4.81 116.67 125.16 1de1 s ASP 44 Ca 0.66 -1.64 0.30 0.00 0.43 0.00 0.00 52.55 52.30 1de1 s ASP 44 Cb -0.22 -2.57 1.65 0.00 -0.30 0.00 0.00 42.92 41.47 1de1 s ASP 44 CO 0.66 -1.57 1.98 -0.78 -0.17 0.00 0.00 175.17 175.28 1de1 h ASP 45 N 9.37 0.00 -0.08 -0.34 3.58 -1.88 -1.66 116.42 125.41 1de1 h ASP 45 Ca 0.25 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.73 1de1 h ASP 45 Cb 0.97 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.99 1de1 h ASP 45 CO 1.41 0.00 -0.12 -0.33 -2.88 0.00 0.00 179.24 177.33 1de1 h GLU 46 N 0.00 -0.16 -0.05 0.28 4.39 -1.95 0.66 114.58 117.75 1de1 h GLU 46 Ca 0.07 0.01 -0.16 0.00 0.34 0.00 0.00 59.36 59.62 1de1 h GLU 46 Cb 0.73 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1de1 h GLU 46 CO -0.00 -0.10 -0.68 0.87 -1.16 0.00 0.00 179.01 177.94 1de1 h LYS 47 N -0.16 0.23 -0.06 2.33 1.57 -1.69 -2.98 116.57 115.80 1de1 h LYS 47 Ca 0.07 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1de1 h LYS 47 Cb 0.26 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1de1 h LYS 47 CO -0.18 0.82 -0.08 0.82 -0.57 0.00 0.00 179.45 180.27 1de1 h ILE 48 N 0.16 0.78 0.13 1.86 1.08 -1.07 0.42 117.51 120.88 1de1 h ILE 48 Ca -0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.45 1de1 h ILE 48 Cb 1.22 0.78 0.00 0.00 -3.07 0.00 0.00 36.82 35.75 1de1 h ILE 48 CO 0.10 0.00 -0.06 0.00 -0.69 0.00 0.00 178.15 177.50 1de1 h ALA 49 N 0.94 -0.17 -0.27 1.87 0.00 -0.91 -1.91 119.26 118.81 1de1 h ALA 49 Ca 0.05 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1de1 h ALA 49 Cb 0.18 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1de1 h ALA 49 CO -0.13 -0.60 0.18 1.49 0.00 0.00 0.00 179.25 180.20 1de1 h GLU 50 N -0.17 0.27 0.70 0.00 4.81 -1.34 -2.63 114.58 116.22 1de1 h GLU 50 Ca -0.02 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1de1 h GLU 50 Cb 0.13 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.46 1de1 h GLU 50 CO 0.03 0.18 -0.34 1.25 -0.73 0.00 0.00 179.01 179.40 1de1 h LEU 51 N 0.28 -0.80 -0.87 1.64 7.12 0.60 0.15 115.31 123.43 1de1 h LEU 51 Ca 0.11 0.01 0.23 0.00 0.13 0.00 0.00 57.88 58.36 1de1 h LEU 51 Cb 0.10 0.21 -0.15 0.00 -0.53 0.00 0.00 40.66 40.28 1de1 h LEU 51 CO -0.02 -0.54 0.12 -0.07 -0.13 0.00 0.00 178.44 177.80 1de1 h LEU 52 N -0.99 -0.21 -0.95 2.25 3.38 -1.02 1.30 115.31 119.06 1de1 h LEU 52 Ca -0.10 0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1de1 h LEU 52 Cb 0.73 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1de1 h LEU 52 CO 0.16 -0.21 -0.50 0.74 0.09 0.00 0.00 178.44 178.72 1de1 h THR 53 N 0.13 1.36 -0.52 0.22 2.02 -1.33 -3.02 112.91 111.76 1de1 h THR 53 Ca 0.53 -1.73 -0.09 0.00 0.77 0.00 0.00 66.41 65.89 1de1 h THR 53 Cb 1.04 1.91 -0.02 0.00 -1.74 0.00 0.00 68.15 69.34 1de1 h THR 53 CO -0.72 0.50 -0.02 0.11 0.37 0.00 0.00 175.52 175.75 1de1 h LYS 54 N 0.04 0.94 0.43 6.66 1.79 0.45 -3.23 116.57 123.66 1de1 h LYS 54 Ca -0.00 -0.31 -0.02 0.00 -2.18 0.00 0.00 60.65 58.14 1de1 h LYS 54 Cb 0.90 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 1de1 h LYS 54 CO 0.07 0.97 -0.21 -0.07 -1.08 0.00 0.00 179.45 179.13 1de1 h LEU 55 N 0.81 -0.49 0.00 2.94 4.07 -0.78 -3.46 115.31 118.41 1de1 h LEU 55 Ca 0.15 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1de1 h LEU 55 Cb 0.56 0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.43 1de1 h LEU 55 CO 0.03 -0.26 0.00 0.61 -1.08 0.00 0.00 178.44 177.74 1de1 n GLY 56 N -1.02 0.06 1.37 0.83 0.00 -1.15 -4.84 105.19 100.45 1de1 n GLY 56 Ca -0.11 0.54 -0.02 0.00 0.00 0.00 0.00 46.02 46.43 1de1 n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1de1 n ARG 57 N 0.00 0.14 0.00 1.61 1.74 -1.26 -4.55 116.66 114.34 1de1 n ARG 57 Ca 0.00 -1.54 0.00 0.00 -0.77 0.00 0.00 57.85 55.54 1de1 n ARG 57 Cb 0.00 0.19 0.00 0.00 -1.02 0.00 0.00 32.46 31.63 1de1 n ARG 57 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1de1 n ASP 58 N 0.11 0.00 -4.70 0.55 -0.08 -1.26 -5.14 116.55 106.03 1de1 n ASP 58 Ca -0.12 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 52.91 1de1 n ASP 58 Cb 0.90 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 44.28 1de1 n ASP 58 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1de1 s THR 59 N 2.78 2.18 -0.67 5.18 -1.32 -1.26 -4.97 115.64 117.56 1de1 s THR 59 Ca 0.00 -1.79 -0.26 0.00 -1.21 0.00 0.00 61.69 58.43 1de1 s THR 59 Cb 0.00 -2.98 -0.02 0.00 -1.51 0.00 0.00 72.50 67.99 1de1 s THR 59 CO 0.00 0.00 1.86 -1.10 -2.21 0.00 0.00 174.62 173.17 1de1 s GLN 60 N -3.85 2.63 -1.17 7.08 -0.21 -1.26 -4.90 119.66 117.98 1de1 s GLN 60 Ca 0.39 0.42 -0.20 0.00 0.02 0.00 0.00 55.36 55.98 1de1 s GLN 60 Cb 0.06 -4.51 0.06 0.00 1.00 0.00 0.00 33.01 29.62 1de1 s GLN 60 CO 0.21 -2.84 1.60 0.42 -2.12 0.00 0.00 175.29 172.56 1de1 s ILE 61 N 9.18 4.06 -1.47 1.08 1.09 -1.26 -4.16 121.20 129.71 1de1 s ILE 61 Ca 0.67 -1.43 0.00 0.00 -1.10 0.00 0.00 60.65 58.79 1de1 s ILE 61 Cb -0.11 -5.13 0.00 0.00 -1.06 0.00 0.00 42.46 36.16 1de1 s ILE 61 CO 0.16 -1.98 0.00 0.61 -0.10 0.00 0.00 174.94 173.64 1de1 n GLY 62 N 6.02 0.04 3.68 6.18 0.00 -1.26 -4.87 105.19 114.98 1de1 n GLY 62 Ca 0.42 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.00 1de1 n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1de1 n LEU 63 N -2.68 3.33 -4.15 0.99 7.99 -1.26 -5.00 117.00 116.21 1de1 n LEU 63 Ca -0.18 1.15 -0.10 0.00 -0.01 0.00 0.00 56.01 56.87 1de1 n LEU 63 Cb 0.62 -1.46 -0.10 0.00 -0.11 0.00 0.00 43.42 42.37 1de1 n LEU 63 CO 0.23 -0.41 -0.38 0.42 -1.51 0.00 0.00 177.39 175.74 1de1 s THR 64 N -0.22 0.59 0.11 -5.08 -4.23 -1.26 -5.13 115.64 100.41 1de1 s THR 64 Ca 0.66 -1.90 0.02 0.00 -1.18 0.00 0.00 61.69 59.29 1de1 s THR 64 Cb -0.62 -1.64 -0.04 0.00 1.34 0.00 0.00 72.50 71.55 1de1 s THR 64 CO 0.52 -0.90 0.19 -0.04 -0.54 0.00 0.00 174.62 173.85 1de1 s MET 65 N -3.83 3.22 0.28 3.99 -1.94 -1.26 -3.86 119.30 115.90 1de1 s MET 65 Ca 0.11 -0.61 -0.25 0.00 -1.71 0.00 0.00 55.69 53.22 1de1 s MET 65 Cb 0.06 -2.88 -0.09 0.00 2.01 0.00 0.00 34.83 33.92 1de1 s MET 65 CO -0.06 0.56 0.89 -2.14 -0.01 0.00 0.00 175.02 174.25 1de1 s PRO 66 N -2.78 4.56 -0.26 2.03 0.02 -1.26 -5.05 135.00 132.27 1de1 s PRO 66 Ca 0.33 1.25 -0.06 0.00 0.02 0.00 0.00 61.00 62.54 1de1 s PRO 66 Cb -0.12 -2.94 -0.01 0.00 0.02 0.00 0.00 34.50 31.46 1de1 s PRO 66 CO 0.26 0.37 0.05 -1.14 -0.33 0.00 0.00 177.00 176.21 1de1 s GLN 67 N -1.81 3.40 0.50 5.54 2.00 0.29 -4.21 119.66 125.37 1de1 s GLN 67 Ca 0.46 -0.64 -0.00 0.00 -2.00 0.00 0.00 55.36 53.18 1de1 s GLN 67 Cb -0.20 -3.27 0.01 0.00 0.80 0.00 0.00 33.01 30.35 1de1 s GLN 67 CO 0.25 -0.28 0.73 0.08 -0.50 0.00 0.00 175.29 175.57 1de1 s VAL 68 N 1.55 3.51 -0.04 1.34 1.01 -0.48 0.22 120.40 127.51 1de1 s VAL 68 Ca 0.05 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 1de1 s VAL 68 Cb -0.16 -3.32 0.02 0.00 0.00 0.00 0.00 36.38 32.93 1de1 s VAL 68 CO 0.02 -0.24 0.08 -0.36 0.00 0.00 0.00 175.10 174.60 1de1 s PHE 69 N -2.68 -0.08 0.58 5.22 0.08 0.18 -2.83 117.98 118.45 1de1 s PHE 69 Ca 0.52 0.26 -0.18 0.00 0.12 0.00 0.00 56.93 57.65 1de1 s PHE 69 Cb -0.10 -0.07 -0.08 0.00 -0.57 0.00 0.00 43.02 42.20 1de1 s PHE 69 CO 0.39 -0.09 0.56 0.00 -0.10 0.00 0.00 175.22 175.98 1de1 n ALA 70 N 3.65 -1.05 -0.02 5.36 0.00 0.34 -1.83 120.51 126.96 1de1 n ALA 70 Ca -0.20 -0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.28 1de1 n ALA 70 Cb 0.55 -1.85 0.46 0.00 0.00 0.00 0.00 19.45 18.61 1de1 n ALA 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1de1 h PRO 71 N 0.23 0.47 0.00 0.00 0.11 -1.90 -2.04 132.00 128.87 1de1 h PRO 71 Ca -0.46 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1de1 h PRO 71 Cb 1.40 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1de1 h PRO 71 CO 0.47 0.31 -1.13 -0.40 -0.21 0.00 0.00 178.00 177.04 1de1 n ASP 72 N -4.48 0.85 0.00 -2.05 5.75 -1.26 -3.74 116.55 111.62 1de1 n ASP 72 Ca 0.05 0.34 0.00 0.00 -0.01 0.00 0.00 54.79 55.17 1de1 n ASP 72 Cb 0.17 0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 1de1 n ASP 72 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1de1 n GLY 73 N 1.24 1.52 3.58 6.12 0.00 -0.76 -5.14 105.19 111.75 1de1 n GLY 73 Ca -0.03 -0.52 -0.05 0.00 0.00 0.00 0.00 46.02 45.42 1de1 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1de1 s SER 74 N 0.00 -0.22 -0.34 1.61 0.01 -1.25 -4.86 113.70 108.65 1de1 s SER 74 Ca 0.00 -0.06 -0.20 0.00 1.31 0.00 0.00 55.95 57.00 1de1 s SER 74 Cb 0.00 0.28 -0.00 0.00 0.21 0.00 0.00 66.02 66.50 1de1 s SER 74 CO 0.00 -0.46 0.64 -2.28 0.41 0.00 0.00 173.24 171.55 1de1 s HIS 75 N -2.78 3.17 -0.22 2.43 2.46 -1.26 0.13 115.29 119.21 1de1 s HIS 75 Ca 0.08 0.44 -0.19 0.00 0.47 0.00 0.00 55.06 55.86 1de1 s HIS 75 Cb -0.00 -3.09 -0.18 0.00 -0.13 0.00 0.00 32.58 29.17 1de1 s HIS 75 CO -0.06 -0.58 0.11 -0.89 -2.47 0.00 0.00 174.74 170.86 1de1 n ILE 76 N 5.52 1.55 0.00 0.89 5.41 -1.13 -4.88 119.36 126.72 1de1 n ILE 76 Ca -0.01 -0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.61 1de1 n ILE 76 Cb 0.49 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 37.42 1de1 n ILE 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1de1 n GLY 77 N 1.44 0.40 0.00 7.39 0.00 -1.24 -4.42 105.19 108.75 1de1 n GLY 77 Ca -0.36 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.51 1de1 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1de1 n GLY 78 N 0.00 1.10 0.01 -0.02 0.00 -1.26 -1.39 105.19 103.63 1de1 n GLY 78 Ca 0.00 -1.48 -0.00 0.00 0.00 0.00 0.00 46.02 44.54 1de1 n GLY 78 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1de1 h PHE 79 N 0.00 -0.01 -0.78 1.61 3.04 -1.96 -2.09 116.94 116.75 1de1 h PHE 79 Ca 0.00 -0.00 0.18 0.00 3.98 0.00 0.00 57.97 62.13 1de1 h PHE 79 Cb 0.00 0.00 -0.12 0.00 2.56 0.00 0.00 35.95 38.39 1de1 h PHE 79 CO 0.00 -0.01 0.19 0.22 -2.02 0.00 0.00 178.31 176.69 1de1 h ASP 80 N -0.05 0.00 -0.49 0.41 1.82 -1.99 1.01 116.42 117.15 1de1 h ASP 80 Ca -0.00 0.16 -0.01 0.00 -0.39 0.00 0.00 57.03 56.79 1de1 h ASP 80 Cb 0.01 0.22 -0.03 0.00 0.68 0.00 0.00 39.33 40.21 1de1 h ASP 80 CO 0.00 -0.07 0.28 -0.61 -1.61 0.00 0.00 179.24 177.23 1de1 h GLN 81 N 0.25 0.69 0.13 0.28 5.75 -1.89 -2.48 115.11 117.84 1de1 h GLN 81 Ca 0.45 -0.07 -0.29 0.00 -0.15 0.00 0.00 58.65 58.60 1de1 h GLN 81 Cb 0.81 -0.14 0.02 0.00 1.07 0.00 0.00 27.48 29.24 1de1 h GLN 81 CO -0.55 0.51 -1.24 1.25 -2.65 0.00 0.00 178.83 176.15 1de1 h LEU 82 N 0.70 0.72 -1.79 -2.39 6.46 0.11 -3.16 115.31 115.97 1de1 h LEU 82 Ca 0.18 -0.69 0.25 0.00 -0.12 0.00 0.00 57.88 57.50 1de1 h LEU 82 Cb 0.02 -0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 39.67 1de1 h LEU 82 CO -0.03 1.51 0.65 0.03 -0.62 0.00 0.00 178.44 179.98 1de1 h ARG 83 N 0.20 0.15 -0.23 1.25 3.08 0.11 1.80 114.38 120.75 1de1 h ARG 83 Ca -0.17 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.76 1de1 h ARG 83 Cb 1.92 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.93 1de1 h ARG 83 CO 0.23 0.10 -0.33 0.93 -1.07 0.00 0.00 179.97 179.82 1de1 h GLU 84 N 0.16 0.48 -0.34 0.04 5.08 -1.47 1.22 114.58 119.75 1de1 h GLU 84 Ca 0.47 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.57 1de1 h GLU 84 Cb 1.59 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.81 1de1 h GLU 84 CO -0.09 0.76 0.02 -0.92 -1.00 0.00 0.00 179.01 177.77 1de1 h TYR 85 N 0.41 0.53 0.00 4.33 5.03 0.27 -3.34 116.97 124.20 1de1 h TYR 85 Ca 0.05 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1de1 h TYR 85 Cb 0.78 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 38.91 1de1 h TYR 85 CO 0.03 0.51 0.00 1.19 -1.32 0.00 0.00 178.16 178.57 1de1 n PHE 86 N -4.29 0.00 -0.46 -3.82 3.72 -0.45 -5.12 117.46 107.04 1de1 n PHE 86 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1de1 n PHE 86 Cb 0.23 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 1de1 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34