#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 3.47 -0.23 1.12 0.40 -0.99 -3.06 117.98 118.69 1de1 s PHE 2 Ca 0.00 1.70 -0.06 0.00 -0.60 0.00 0.00 56.93 57.97 1de1 s PHE 2 Cb 0.00 -3.01 -0.02 0.00 0.51 0.00 0.00 43.02 40.50 1de1 s PHE 2 CO 0.00 -0.19 0.03 0.15 0.70 0.00 0.00 175.22 175.91 1de1 s LYS 3 N -2.35 3.57 -0.17 0.44 3.01 0.06 0.44 119.74 124.75 1de1 s LYS 3 Ca 0.54 -0.52 -0.06 0.00 -1.01 0.00 0.00 55.97 54.92 1de1 s LYS 3 Cb -0.19 -3.20 -0.04 0.00 -1.01 0.00 0.00 37.83 33.39 1de1 s LYS 3 CO 0.24 -0.16 0.04 0.08 0.51 0.00 0.00 175.35 176.06 1de1 s VAL 4 N 1.49 4.57 -0.50 3.17 1.01 -0.96 0.12 120.40 129.29 1de1 s VAL 4 Ca 0.06 -0.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 1de1 s VAL 4 Cb -0.15 -3.04 0.13 0.00 0.00 0.00 0.00 36.38 33.32 1de1 s VAL 4 CO 0.01 0.48 0.38 -0.31 0.00 0.00 0.00 175.10 175.67 1de1 s TYR 5 N 0.22 3.44 0.00 5.22 1.51 0.50 -1.54 117.35 126.70 1de1 s TYR 5 Ca 0.02 -1.91 0.00 0.00 -1.01 0.00 0.00 57.07 54.17 1de1 s TYR 5 Cb -0.13 -3.51 0.00 0.00 -0.11 0.00 0.00 41.96 38.21 1de1 s TYR 5 CO 0.01 -0.99 0.00 0.41 -1.11 0.00 0.00 175.55 173.87 1de1 n GLY 6 N 4.79 3.31 3.30 0.71 0.00 -1.11 0.11 105.19 116.30 1de1 n GLY 6 Ca -0.06 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 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 0.31 1.59 -0.02 1.61 2.02 -1.26 -2.58 117.35 119.01 1de1 s TYR 7 Ca 0.00 -0.58 -0.01 0.00 -0.37 0.00 0.00 57.07 56.11 1de1 s TYR 7 Cb 0.00 -0.78 -0.00 0.00 -0.40 0.00 0.00 41.96 40.78 1de1 s TYR 7 CO 0.00 0.26 -0.02 0.38 -1.57 0.00 0.00 175.55 174.60 1de1 h ASP 8 N 2.95 0.00 0.00 2.29 2.03 -1.90 -3.45 116.42 118.34 1de1 h ASP 8 Ca -0.39 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 1de1 h ASP 8 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 1de1 h ASP 8 CO 0.57 0.11 0.00 -1.20 -1.03 0.00 0.00 179.24 177.70 1de1 n SER 9 N -2.60 0.00 -0.06 4.15 7.64 -0.82 -4.66 113.62 117.27 1de1 n SER 9 Ca -0.01 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.72 1de1 n SER 9 Cb 0.03 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.18 1de1 n SER 9 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1de1 h ASN 10 N 0.00 0.78 0.15 6.43 -0.73 -1.99 -3.34 115.58 116.88 1de1 h ASN 10 Ca 0.00 -0.55 -0.36 0.00 1.87 0.00 0.00 56.30 57.26 1de1 h ASN 10 Cb 0.00 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.35 1de1 h ASN 10 CO 0.00 1.18 -1.95 0.40 -0.37 0.00 0.00 177.43 176.70 1de1 h ILE 11 N 0.40 0.68 -3.20 2.57 1.08 -1.94 -3.49 117.51 113.61 1de1 h ILE 11 Ca 0.01 -2.39 -0.09 0.00 -0.39 0.00 0.00 64.86 62.00 1de1 h ILE 11 Cb 1.06 2.55 -0.17 0.00 -3.07 0.00 0.00 36.82 37.18 1de1 h ILE 11 CO 0.10 0.88 -0.22 -2.28 -0.69 0.00 0.00 178.15 175.94 1de1 s HIS 12 N -2.56 -0.15 0.72 1.37 2.46 -1.25 -4.79 115.29 111.08 1de1 s HIS 12 Ca -0.21 0.07 -0.11 0.00 0.47 0.00 0.00 55.06 55.28 1de1 s HIS 12 Cb 0.06 0.12 0.02 0.00 -0.13 0.00 0.00 32.58 32.66 1de1 s HIS 12 CO 0.79 -0.50 1.08 -1.59 -2.47 0.00 0.00 174.74 172.04 1de1 s LYS 13 N -2.34 2.71 -0.30 2.88 -2.85 -1.26 -1.94 119.74 116.64 1de1 s LYS 13 Ca -0.06 0.70 -0.11 0.00 -1.00 0.00 0.00 55.97 55.49 1de1 s LYS 13 Cb -0.01 -1.98 0.18 0.00 -2.06 0.00 0.00 37.83 33.95 1de1 s LYS 13 CO -0.02 -1.19 1.00 0.00 0.10 0.00 0.00 175.35 175.24 1de1 h VAL 15 N 5.29 0.80 0.00 0.00 -1.51 -1.96 -3.34 116.25 115.53 1de1 h VAL 15 Ca -0.13 -2.53 0.00 0.00 -1.23 0.00 0.00 66.70 62.81 1de1 h VAL 15 Cb 1.17 2.55 0.00 0.00 -2.13 0.00 0.00 31.29 32.88 1de1 h VAL 15 CO -0.06 0.78 0.00 1.88 -1.23 0.00 0.00 177.57 178.94 1de1 h TYR 16 N 0.06 0.00 0.46 5.19 0.05 -1.96 -3.10 116.97 117.66 1de1 h TYR 16 Ca -0.35 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.41 1de1 h TYR 16 Cb 2.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.78 1de1 h TYR 16 CO 0.06 0.00 -0.22 0.00 -1.05 0.00 0.00 178.16 176.95 1de1 h ASP 18 N -0.83 0.30 0.50 0.00 1.82 -1.71 -1.91 116.42 114.58 1de1 h ASP 18 Ca -0.06 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.55 1de1 h ASP 18 Cb 0.56 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.52 1de1 h ASP 18 CO 0.10 0.19 -0.24 0.78 -1.61 0.00 0.00 179.24 178.47 1de1 h ASN 19 N 0.34 -0.57 -0.85 2.28 -0.26 -1.47 -2.71 115.58 112.34 1de1 h ASN 19 Ca 0.19 -0.05 0.14 0.00 -0.56 0.00 0.00 56.30 56.02 1de1 h ASN 19 Cb 0.33 0.15 -0.09 0.00 -1.06 0.00 0.00 38.32 37.65 1de1 h ASN 19 CO -0.04 -0.16 0.45 0.00 -1.06 0.00 0.00 177.43 176.62 1de1 h ALA 20 N -0.94 1.27 -0.11 -0.83 0.00 -1.07 -0.73 119.26 116.86 1de1 h ALA 20 Ca -0.07 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1de1 h ALA 20 Cb 0.58 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1de1 h ALA 20 CO 0.11 -0.04 -0.09 -0.22 0.00 0.00 0.00 179.25 179.01 1de1 h LYS 21 N 0.67 -0.10 -0.89 0.00 3.11 -1.39 -0.53 116.57 117.44 1de1 h LYS 21 Ca 0.45 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.30 1de1 h LYS 21 Cb 0.59 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.80 1de1 h LYS 21 CO -0.34 -0.07 0.56 0.00 -2.81 0.00 0.00 179.45 176.80 1de1 h ARG 22 N -0.11 1.20 0.04 1.90 3.08 -0.98 -0.80 114.38 118.71 1de1 h ARG 22 Ca 0.07 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1de1 h ARG 22 Cb 0.21 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1de1 h ARG 22 CO -0.17 0.82 -0.12 1.25 -1.07 0.00 0.00 179.97 180.68 1de1 h LEU 23 N 1.22 -0.35 0.03 3.04 6.46 -0.49 0.27 115.31 125.49 1de1 h LEU 23 Ca 0.32 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 58.13 1de1 h LEU 23 Cb -0.09 0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.98 1de1 h LEU 23 CO -0.06 -0.18 -0.02 -0.07 -0.62 0.00 0.00 178.44 177.49 1de1 h LEU 24 N -0.23 -0.05 -1.14 2.25 3.38 -0.81 0.58 115.31 119.28 1de1 h LEU 24 Ca 0.03 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.16 1de1 h LEU 24 Cb 0.26 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 1de1 h LEU 24 CO -0.10 -0.03 0.61 0.74 0.09 0.00 0.00 178.44 179.75 1de1 h THR 25 N -0.05 0.81 0.02 0.22 2.02 -0.92 0.26 112.91 115.27 1de1 h THR 25 Ca -0.00 -0.27 -0.24 0.00 0.77 0.00 0.00 66.41 66.67 1de1 h THR 25 Cb 0.05 -0.04 0.01 0.00 -1.74 0.00 0.00 68.15 66.42 1de1 h THR 25 CO -0.00 0.14 -1.00 0.58 0.37 0.00 0.00 175.52 175.61 1de1 h VAL 26 N 0.78 1.38 0.00 3.16 2.07 -0.30 -3.07 116.25 120.27 1de1 h VAL 26 Ca 0.50 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 65.57 1de1 h VAL 26 Cb 0.74 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1de1 h VAL 26 CO -0.27 0.74 0.00 1.17 0.02 0.00 0.00 177.57 179.23 1de1 n LYS 27 N -3.75 0.01 -2.46 1.57 3.00 0.20 -4.92 118.16 111.80 1de1 n LYS 27 Ca -0.08 0.16 -0.08 0.00 -0.00 0.00 0.00 58.31 58.31 1de1 n LYS 27 Cb 0.86 -1.50 0.04 0.00 0.00 0.00 0.00 35.03 34.43 1de1 n LYS 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1de1 n LYS 28 N -1.49 -1.35 -3.76 1.64 3.00 0.72 -5.04 118.16 111.88 1de1 n LYS 28 Ca 0.05 0.47 -0.13 0.00 -0.00 0.00 0.00 58.31 58.70 1de1 n LYS 28 Cb 0.23 -3.87 -0.13 0.00 0.00 0.00 0.00 35.03 31.25 1de1 n LYS 28 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1de1 s GLN 29 N -3.81 0.16 0.61 1.64 -1.52 -0.93 -5.04 119.66 110.77 1de1 s GLN 29 Ca 0.24 0.40 -0.12 0.00 -1.95 0.00 0.00 55.36 53.92 1de1 s GLN 29 Cb -0.03 -0.09 -0.04 0.00 -0.22 0.00 0.00 33.01 32.63 1de1 s GLN 29 CO 0.40 -0.13 1.03 -1.25 -0.25 0.00 0.00 175.29 175.09 1de1 s PRO 30 N 0.94 3.57 0.27 2.91 0.04 -1.26 -4.40 135.00 137.08 1de1 s PRO 30 Ca -0.07 0.80 -0.21 0.00 0.04 0.00 0.00 61.00 61.56 1de1 s PRO 30 Cb -0.09 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.41 1de1 s PRO 30 CO -0.05 -0.59 0.78 -0.59 0.04 0.00 0.00 177.00 176.59 1de1 s PHE 31 N -3.09 -0.13 -0.02 0.56 -0.71 -1.26 -2.34 117.98 110.98 1de1 s PHE 31 Ca 0.56 -0.33 0.02 0.00 -1.04 0.00 0.00 56.93 56.14 1de1 s PHE 31 Cb -0.11 0.71 0.01 0.00 -1.21 0.00 0.00 43.02 42.42 1de1 s PHE 31 CO 0.51 -1.20 -0.06 -1.21 -1.34 0.00 0.00 175.22 171.92 1de1 s GLU 32 N -3.55 0.72 0.38 1.99 0.41 0.17 -4.79 118.70 114.03 1de1 s GLU 32 Ca 0.12 -0.19 -0.06 0.00 -0.41 0.00 0.00 54.97 54.43 1de1 s GLU 32 Cb -0.05 -0.71 -0.05 0.00 -1.78 0.00 0.00 34.13 31.54 1de1 s GLU 32 CO 0.07 0.04 0.68 0.12 -0.49 0.00 0.00 175.26 175.68 1de1 s PHE 33 N 0.36 3.50 -0.12 1.61 5.36 -1.26 -2.26 117.98 125.17 1de1 s PHE 33 Ca -0.05 0.78 -0.04 0.00 -0.96 0.00 0.00 56.93 56.66 1de1 s PHE 33 Cb -0.09 -2.24 0.06 0.00 -0.34 0.00 0.00 43.02 40.41 1de1 s PHE 33 CO 0.00 -0.04 0.24 0.42 -1.46 0.00 0.00 175.22 174.38 1de1 s ILE 34 N -2.37 -0.34 -0.35 3.12 1.01 -0.59 -4.86 121.20 116.81 1de1 s ILE 34 Ca 0.47 0.28 -0.24 0.00 0.00 0.00 0.00 60.65 61.16 1de1 s ILE 34 Cb -0.10 -0.40 0.01 0.00 0.01 0.00 0.00 42.46 41.98 1de1 s ILE 34 CO 0.35 0.12 0.85 0.54 0.00 0.00 0.00 174.94 176.80 1de1 s ASN 35 N 2.27 6.64 0.47 3.58 4.22 -1.26 -2.77 114.94 128.09 1de1 s ASN 35 Ca 0.01 0.53 0.26 0.00 -2.14 0.00 0.00 52.86 51.51 1de1 s ASN 35 Cb -0.12 -2.43 0.79 0.00 1.28 0.00 0.00 41.25 40.77 1de1 s ASN 35 CO -0.08 -0.77 1.77 0.16 -2.04 0.00 0.00 177.10 176.14 1de1 h ILE 36 N 5.75 0.16 -3.77 0.54 3.07 -1.87 -3.41 117.51 117.98 1de1 h ILE 36 Ca -0.24 -0.95 -0.68 0.00 1.55 0.00 0.00 64.86 64.55 1de1 h ILE 36 Cb 1.09 1.82 -0.34 0.00 -0.27 0.00 0.00 36.82 39.11 1de1 h ILE 36 CO 0.94 0.08 -0.72 -0.32 -1.05 0.00 0.00 178.15 177.08 1de1 s MET 37 N -3.43 2.29 0.25 0.16 0.00 -1.26 -0.63 119.30 116.69 1de1 s MET 37 Ca 0.04 -1.36 0.12 0.00 0.00 0.00 0.00 55.69 54.48 1de1 s MET 37 Cb 0.07 -3.13 0.21 0.00 0.00 0.00 0.00 34.83 31.98 1de1 s MET 37 CO 0.62 -0.66 1.51 -1.00 0.00 0.00 0.00 175.02 175.50 1de1 h PRO 38 N 7.92 0.00 -4.08 4.11 0.13 -1.80 -3.46 132.00 134.82 1de1 h PRO 38 Ca -0.19 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.77 1de1 h PRO 38 Cb 1.05 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.98 1de1 h PRO 38 CO 0.52 0.66 -0.70 -1.21 -0.23 0.00 0.00 178.00 177.04 1de1 s GLU 39 N -3.22 0.38 0.00 0.86 0.41 -1.25 -5.01 118.70 110.87 1de1 s GLU 39 Ca 0.01 -0.73 0.07 0.00 -0.41 0.00 0.00 54.97 53.91 1de1 s GLU 39 Cb 0.11 0.08 0.31 0.00 -1.78 0.00 0.00 34.13 32.85 1de1 s GLU 39 CO 0.76 -0.05 1.17 1.17 -0.49 0.00 0.00 175.26 177.82 1de1 n LYS 40 N 1.34 0.03 -0.07 1.61 4.81 -1.26 -2.87 118.16 121.75 1de1 n LYS 40 Ca -0.22 0.33 -0.08 0.00 -0.87 0.00 0.00 58.31 57.46 1de1 n LYS 40 Cb 0.56 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 34.05 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 1.16 0.00 -5.15 3.14 0.00 -1.97 -3.49 103.07 96.77 1de1 h GLY 41 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1de1 h GLY 41 CO 0.00 0.00 -0.33 0.14 0.00 0.00 0.00 176.54 176.35 1de1 s VAL 42 N -1.99 0.01 1.21 4.60 1.01 -1.14 -5.16 120.40 118.94 1de1 s VAL 42 Ca -0.12 -0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.62 1de1 s VAL 42 Cb 0.01 -0.49 0.30 0.00 0.00 0.00 0.00 36.38 36.20 1de1 s VAL 42 CO 0.32 -0.05 0.93 0.49 0.00 0.00 0.00 175.10 176.78 1de1 n PHE 43 N 2.58 -1.55 -3.25 5.22 3.72 -1.26 -3.85 117.46 119.08 1de1 n PHE 43 Ca -0.15 -0.21 -0.38 0.00 -0.05 0.00 0.00 57.45 56.66 1de1 n PHE 43 Cb 0.57 -1.65 -0.06 0.00 -0.94 0.00 0.00 39.48 37.40 1de1 n PHE 43 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1de1 s ASP 44 N -2.36 7.08 0.05 4.37 1.47 0.20 -4.75 116.67 122.73 1de1 s ASP 44 Ca 0.68 1.29 0.26 0.00 1.18 0.00 0.00 52.55 55.96 1de1 s ASP 44 Cb -0.24 -2.37 1.07 0.00 -0.34 0.00 0.00 42.92 41.04 1de1 s ASP 44 CO 0.66 0.25 1.84 -0.67 0.68 0.00 0.00 175.17 177.92 1de1 n ASP 45 N 1.59 0.18 0.16 2.11 -0.08 -1.26 -2.62 116.55 116.63 1de1 n ASP 45 Ca -0.09 0.52 -0.07 0.00 -1.51 0.00 0.00 54.79 53.64 1de1 n ASP 45 Cb 0.51 -0.57 -0.03 0.00 2.34 0.00 0.00 41.12 43.37 1de1 n ASP 45 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1de1 h GLU 46 N 0.00 -0.45 -0.19 -0.67 4.57 -1.94 -2.17 114.58 113.73 1de1 h GLU 46 Ca 0.00 0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 58.07 1de1 h GLU 46 Cb 0.51 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1de1 h GLU 46 CO 0.00 -0.30 -0.43 0.87 -1.18 0.00 0.00 179.01 177.97 1de1 h LYS 47 N -0.83 0.62 -0.95 1.92 6.56 -1.91 -1.76 116.57 120.23 1de1 h LYS 47 Ca -0.05 -0.42 0.08 0.00 -1.06 0.00 0.00 60.65 59.20 1de1 h LYS 47 Cb 0.36 0.06 -0.07 0.00 -0.57 0.00 0.00 32.23 32.01 1de1 h LYS 47 CO 0.08 1.04 0.61 0.82 -2.06 0.00 0.00 179.45 179.94 1de1 h ILE 48 N 0.29 1.03 0.18 1.86 5.03 -1.66 0.95 117.51 125.20 1de1 h ILE 48 Ca -0.00 -0.36 -0.01 0.00 -0.12 0.00 0.00 64.86 64.37 1de1 h ILE 48 Cb 1.04 -0.10 0.00 0.00 -3.03 0.00 0.00 36.82 34.73 1de1 h ILE 48 CO 0.09 0.19 -0.09 0.00 -0.68 0.00 0.00 178.15 177.66 1de1 h ALA 49 N 1.51 -0.25 -0.66 1.87 0.00 -1.36 -2.95 119.26 117.43 1de1 h ALA 49 Ca 0.42 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1de1 h ALA 49 Cb 0.28 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1de1 h ALA 49 CO -0.18 -0.31 0.43 1.49 0.00 0.00 0.00 179.25 180.69 1de1 h GLU 50 N -0.91 0.77 -0.00 0.00 4.81 -1.12 -2.48 114.58 115.66 1de1 h GLU 50 Ca -0.03 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1de1 h GLU 50 Cb 0.50 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1de1 h GLU 50 CO 0.04 0.51 -0.11 1.25 -0.73 0.00 0.00 179.01 179.97 1de1 h LEU 51 N 0.80 -0.33 -0.59 1.64 5.85 0.88 0.76 115.31 124.33 1de1 h LEU 51 Ca 0.26 0.05 0.11 0.00 0.84 0.00 0.00 57.88 59.14 1de1 h LEU 51 Cb 0.05 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 1de1 h LEU 51 CO -0.07 -0.16 0.12 -0.07 -0.34 0.00 0.00 178.44 177.92 1de1 h LEU 52 N -0.19 -0.00 -0.28 2.25 3.38 -1.26 0.48 115.31 119.69 1de1 h LEU 52 Ca 0.04 0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 1de1 h LEU 52 Cb 0.25 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1de1 h LEU 52 CO -0.12 0.01 -0.32 0.74 0.09 0.00 0.00 178.44 178.84 1de1 h THR 53 N 0.25 1.30 -0.97 0.22 2.02 -1.28 -2.93 112.91 111.53 1de1 h THR 53 Ca 0.31 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.99 1de1 h THR 53 Cb 0.45 1.62 -0.05 0.00 -1.74 0.00 0.00 68.15 68.44 1de1 h THR 53 CO -0.39 0.48 0.63 0.11 0.37 0.00 0.00 175.52 176.71 1de1 h LYS 54 N 0.45 1.29 0.09 6.66 1.57 0.15 -3.22 116.57 123.57 1de1 h LYS 54 Ca 0.04 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1de1 h LYS 54 Cb 0.90 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1de1 h LYS 54 CO 0.08 0.87 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.71 1de1 h LEU 55 N 1.33 -0.11 0.00 2.94 3.38 -0.02 -3.45 115.31 119.38 1de1 h LEU 55 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1de1 h LEU 55 Cb -0.12 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1de1 h LEU 55 CO -0.07 -0.08 0.00 0.61 0.09 0.00 0.00 178.44 178.99 1de1 n GLY 56 N -1.04 3.02 1.95 0.83 0.00 -1.11 -5.01 105.19 103.83 1de1 n GLY 56 Ca -0.02 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 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 0.06 -0.08 1.61 3.00 -1.26 -4.98 116.66 115.01 1de1 n ARG 57 Ca 0.00 -1.30 -0.09 0.00 -0.01 0.00 0.00 57.85 56.46 1de1 n ARG 57 Cb 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 32.46 31.92 1de1 n ARG 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1de1 n ASP 58 N -3.05 0.86 -4.79 0.55 8.00 -1.26 -4.49 116.55 112.36 1de1 n ASP 58 Ca 0.08 -0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.35 1de1 n ASP 58 Cb 0.30 0.88 -0.06 0.00 -0.02 0.00 0.00 41.12 42.22 1de1 n ASP 58 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1de1 s THR 59 N -2.41 2.47 -0.44 -3.53 -1.32 -1.26 -4.99 115.64 104.16 1de1 s THR 59 Ca -0.09 -1.57 -0.05 0.00 -1.21 0.00 0.00 61.69 58.77 1de1 s THR 59 Cb 0.05 -3.00 0.12 0.00 -1.51 0.00 0.00 72.50 68.16 1de1 s THR 59 CO 0.69 -0.01 0.27 -1.10 -2.21 0.00 0.00 174.62 172.26 1de1 s GLN 60 N -3.98 2.21 -1.09 7.08 1.11 -1.26 -5.03 119.66 118.70 1de1 s GLN 60 Ca 0.43 -1.83 -0.22 0.00 0.01 0.00 0.00 55.36 53.76 1de1 s GLN 60 Cb 0.01 -3.73 0.06 0.00 -1.01 0.00 0.00 33.01 28.34 1de1 s GLN 60 CO 0.25 -1.13 1.52 0.42 0.01 0.00 0.00 175.29 176.35 1de1 s ILE 61 N 1.18 3.99 -1.69 1.08 1.01 -1.26 -4.10 121.20 121.41 1de1 s ILE 61 Ca 0.08 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 59.65 1de1 s ILE 61 Cb -0.24 -5.09 0.00 0.00 0.01 0.00 0.00 42.46 37.14 1de1 s ILE 61 CO -0.03 -1.95 0.00 0.61 0.00 0.00 0.00 174.94 173.57 1de1 n GLY 62 N 6.47 -0.42 3.45 6.18 0.00 -1.26 -4.90 105.19 114.71 1de1 n GLY 62 Ca 0.37 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.96 0.05 -4.39 0.99 7.99 -1.26 -4.99 117.00 112.43 1de1 n LEU 63 Ca -0.23 0.83 -0.26 0.00 -0.01 0.00 0.00 56.01 56.34 1de1 n LEU 63 Cb 0.68 -1.12 -0.12 0.00 -0.11 0.00 0.00 43.42 42.75 1de1 n LEU 63 CO 0.27 -3.04 -0.53 0.42 -1.51 0.00 0.00 177.39 173.00 1de1 s THR 64 N -1.59 2.19 0.15 -5.08 -4.23 -1.26 -5.15 115.64 100.67 1de1 s THR 64 Ca 0.65 -1.94 0.10 0.00 -1.18 0.00 0.00 61.69 59.32 1de1 s THR 64 Cb -0.54 -2.01 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 1de1 s THR 64 CO 0.57 -0.12 -0.22 -0.04 -0.54 0.00 0.00 174.62 174.27 1de1 s MET 65 N -2.55 1.34 0.41 3.99 1.00 -1.26 -4.11 119.30 118.13 1de1 s MET 65 Ca 0.18 -1.38 -0.20 0.00 0.00 0.00 0.00 55.69 54.28 1de1 s MET 65 Cb -0.08 -1.62 -0.11 0.00 0.00 0.00 0.00 34.83 33.03 1de1 s MET 65 CO 0.08 0.36 0.92 -2.14 0.00 0.00 0.00 175.02 174.24 1de1 s PRO 66 N -2.43 4.21 -0.26 2.03 0.02 -1.26 -4.99 135.00 132.33 1de1 s PRO 66 Ca 0.15 1.06 -0.08 0.00 0.02 0.00 0.00 61.00 62.15 1de1 s PRO 66 Cb -0.08 -2.25 -0.03 0.00 0.02 0.00 0.00 34.50 32.16 1de1 s PRO 66 CO 0.07 0.02 0.09 -0.65 -0.33 0.00 0.00 177.00 176.20 1de1 s GLN 67 N -3.09 3.66 0.43 5.54 -1.52 0.30 -4.27 119.66 120.70 1de1 s GLN 67 Ca 0.60 -0.48 -0.02 0.00 -1.95 0.00 0.00 55.36 53.51 1de1 s GLN 67 Cb -0.10 -3.38 -0.02 0.00 -0.22 0.00 0.00 33.01 29.29 1de1 s GLN 67 CO 0.14 -0.21 0.67 0.08 -0.25 0.00 0.00 175.29 175.73 1de1 s VAL 68 N 1.63 4.68 -0.04 1.09 1.01 0.25 0.19 120.40 129.21 1de1 s VAL 68 Ca 0.06 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 1de1 s VAL 68 Cb -0.15 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1de1 s VAL 68 CO 0.05 -0.59 0.11 -0.36 0.00 0.00 0.00 175.10 174.31 1de1 s PHE 69 N -2.55 -0.11 0.53 5.22 0.08 0.31 -2.74 117.98 118.73 1de1 s PHE 69 Ca 0.45 0.26 -0.21 0.00 0.12 0.00 0.00 56.93 57.55 1de1 s PHE 69 Cb -0.10 0.03 -0.07 0.00 -0.57 0.00 0.00 43.02 42.31 1de1 s PHE 69 CO 0.40 -0.07 0.99 0.00 -0.10 0.00 0.00 175.22 176.43 1de1 n ALA 70 N 2.91 0.25 0.29 5.36 0.00 0.24 -0.76 120.51 128.79 1de1 n ALA 70 Ca -0.13 0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.51 1de1 n ALA 70 Cb 0.59 -2.11 0.51 0.00 0.00 0.00 0.00 19.45 18.45 1de1 n ALA 70 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1de1 n PRO 71 N -0.53 0.16 -0.03 0.00 -0.02 -1.17 -2.02 135.00 131.38 1de1 n PRO 71 Ca 0.12 0.51 0.04 0.00 -2.02 0.00 0.00 63.50 62.15 1de1 n PRO 71 Cb 0.44 -1.89 -0.15 0.00 -0.02 0.00 0.00 33.50 31.89 1de1 n PRO 71 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1de1 n ASP 72 N -2.21 0.64 0.00 2.55 9.92 -1.26 -4.75 116.55 121.44 1de1 n ASP 72 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 1de1 n ASP 72 Cb 0.14 1.59 0.00 0.00 -0.64 0.00 0.00 41.12 42.21 1de1 n ASP 72 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1de1 n GLY 73 N 1.57 0.62 3.25 0.44 0.00 -0.86 -5.16 105.19 105.04 1de1 n GLY 73 Ca -0.11 -0.53 0.04 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.81 -0.11 1.61 0.01 -1.25 -4.90 113.70 108.25 1de1 s SER 74 Ca 0.00 0.68 -0.35 0.00 1.31 0.00 0.00 55.95 57.58 1de1 s SER 74 Cb 0.00 1.75 -0.13 0.00 0.21 0.00 0.00 66.02 67.85 1de1 s SER 74 CO 0.00 -0.15 1.83 1.57 0.41 0.00 0.00 173.24 176.89 1de1 n HIS 75 N 5.34 2.26 -0.12 2.43 -0.00 -1.26 0.79 115.22 124.67 1de1 n HIS 75 Ca -0.06 0.12 -0.24 0.00 0.46 0.00 0.00 57.72 58.00 1de1 n HIS 75 Cb 0.52 -2.61 -0.11 0.00 -0.12 0.00 0.00 29.99 27.67 1de1 n HIS 75 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1de1 n ILE 76 N 4.89 1.55 0.00 3.57 5.41 -1.11 -4.84 119.36 128.83 1de1 n ILE 76 Ca 0.23 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1de1 n ILE 76 Cb 0.26 -1.75 0.00 0.00 -0.71 0.00 0.00 39.64 37.44 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 1.66 0.78 0.00 7.39 0.00 -1.19 -4.59 105.19 109.23 1de1 n GLY 77 Ca -0.46 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 43.68 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 1.28 0.20 -0.02 0.00 -1.26 0.85 105.19 106.25 1de1 n GLY 78 Ca 0.00 -1.28 -0.07 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.40 -0.60 1.61 3.57 -1.95 -2.53 116.94 116.64 1de1 h PHE 79 Ca 0.00 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.57 1de1 h PHE 79 Cb 0.00 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.81 1de1 h PHE 79 CO 0.00 -0.25 0.27 0.22 -2.23 0.00 0.00 178.31 176.32 1de1 h ASP 80 N -1.00 0.33 -0.34 0.41 1.82 -1.99 0.20 116.42 115.85 1de1 h ASP 80 Ca -0.04 0.06 0.05 0.00 -0.39 0.00 0.00 57.03 56.70 1de1 h ASP 80 Cb 0.33 0.01 -0.04 0.00 0.68 0.00 0.00 39.33 40.30 1de1 h ASP 80 CO 0.07 0.21 0.07 1.56 -1.61 0.00 0.00 179.24 179.54 1de1 h GLN 81 N 0.49 0.18 -0.52 0.28 7.50 -1.89 -2.37 115.11 118.79 1de1 h GLN 81 Ca 0.29 -0.01 -0.05 0.00 0.50 0.00 0.00 58.65 59.38 1de1 h GLN 81 Cb 0.29 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 27.76 1de1 h GLN 81 CO -0.25 0.12 0.15 1.25 -1.50 0.00 0.00 178.83 178.60 1de1 h LEU 82 N 0.19 0.77 -2.00 1.46 5.85 -0.93 -1.97 115.31 118.68 1de1 h LEU 82 Ca 0.16 -0.22 0.24 0.00 0.84 0.00 0.00 57.88 58.90 1de1 h LEU 82 Cb 0.18 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1de1 h LEU 82 CO -0.21 0.78 0.61 -0.09 -0.34 0.00 0.00 178.44 179.19 1de1 h ARG 83 N 0.71 0.00 -0.03 1.25 2.43 -0.48 1.21 114.38 119.47 1de1 h ARG 83 Ca 0.16 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.13 1de1 h ARG 83 Cb 0.30 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1de1 h ARG 83 CO -0.00 0.00 -0.85 0.93 -1.51 0.00 0.00 179.97 178.53 1de1 h GLU 84 N 0.00 0.39 -0.44 0.20 5.08 -0.93 0.91 114.58 119.78 1de1 h GLU 84 Ca 0.40 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1de1 h GLU 84 Cb 1.61 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.93 1de1 h GLU 84 CO -0.00 1.04 0.13 -0.92 -1.00 0.00 0.00 179.01 178.25 1de1 h TYR 85 N 0.24 0.66 0.00 4.33 5.03 0.17 -3.33 116.97 124.07 1de1 h TYR 85 Ca -0.06 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.21 1de1 h TYR 85 Cb 1.47 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 39.55 1de1 h TYR 85 CO 0.05 0.56 0.00 1.19 -1.32 0.00 0.00 178.16 178.64 1de1 n PHE 86 N -4.32 0.00 1.27 -3.82 3.72 0.01 -5.11 117.46 109.20 1de1 n PHE 86 Ca 0.03 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.56 1de1 n PHE 86 Cb 0.19 -0.30 0.33 0.00 -0.94 0.00 0.00 39.48 38.76 1de1 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34