#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 3.37 -0.23 1.12 0.40 -1.06 -3.03 117.98 118.55 1de1 s PHE 2 Ca 0.00 1.67 -0.07 0.00 -0.60 0.00 0.00 56.93 57.93 1de1 s PHE 2 Cb 0.00 -2.97 -0.03 0.00 0.51 0.00 0.00 43.02 40.53 1de1 s PHE 2 CO 0.00 -0.24 0.05 0.15 0.70 0.00 0.00 175.22 175.88 1de1 s LYS 3 N -2.67 3.64 -0.12 0.44 3.01 0.52 0.50 119.74 125.06 1de1 s LYS 3 Ca 0.58 -0.49 -0.00 0.00 -1.01 0.00 0.00 55.97 55.05 1de1 s LYS 3 Cb -0.16 -3.25 -0.02 0.00 -1.01 0.00 0.00 37.83 33.39 1de1 s LYS 3 CO 0.21 -0.13 -0.11 0.08 0.51 0.00 0.00 175.35 175.91 1de1 s VAL 4 N 1.42 3.24 -0.46 3.17 1.01 -0.91 0.63 120.40 128.50 1de1 s VAL 4 Ca 0.05 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 1de1 s VAL 4 Cb -0.15 -2.36 0.12 0.00 0.00 0.00 0.00 36.38 34.00 1de1 s VAL 4 CO 0.03 0.53 0.29 -0.31 0.00 0.00 0.00 175.10 175.64 1de1 s TYR 5 N 0.13 3.51 0.00 5.22 2.02 0.36 -1.69 117.35 126.90 1de1 s TYR 5 Ca -0.05 -2.20 0.00 0.00 -0.37 0.00 0.00 57.07 54.45 1de1 s TYR 5 Cb -0.15 -3.36 0.00 0.00 -0.40 0.00 0.00 41.96 38.06 1de1 s TYR 5 CO 0.04 -0.97 0.00 0.41 -1.57 0.00 0.00 175.55 173.46 1de1 n GLY 6 N 4.64 4.32 2.76 0.71 0.00 -1.16 0.09 105.19 116.55 1de1 n GLY 6 Ca -0.04 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.44 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 0.63 -0.47 -0.76 1.61 2.02 -1.26 -2.06 117.35 117.05 1de1 s TYR 7 Ca 0.00 -0.17 0.01 0.00 -0.37 0.00 0.00 57.07 56.54 1de1 s TYR 7 Cb 0.00 -0.46 0.35 0.00 -0.40 0.00 0.00 41.96 41.45 1de1 s TYR 7 CO 0.00 -0.93 1.51 -3.47 -1.57 0.00 0.00 175.55 171.10 1de1 n ASP 8 N 5.29 6.17 -0.80 2.29 2.03 -1.26 -4.58 116.55 125.69 1de1 n ASP 8 Ca -0.02 -3.73 0.00 0.00 0.52 0.00 0.00 54.79 51.56 1de1 n ASP 8 Cb 0.46 -0.86 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 1de1 n ASP 8 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1de1 n SER 9 N -0.29 0.00 -0.29 1.67 7.64 -1.25 -5.03 113.62 116.06 1de1 n SER 9 Ca 0.43 -0.80 0.14 0.00 1.01 0.00 0.00 58.87 59.65 1de1 n SER 9 Cb 0.36 0.00 0.66 0.00 -1.01 0.00 0.00 64.21 64.22 1de1 n SER 9 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1de1 n ASN 10 N -1.79 0.91 0.04 6.43 3.02 -1.26 -3.30 115.26 119.31 1de1 n ASN 10 Ca 0.00 -1.34 0.12 0.00 -0.03 0.00 0.00 54.58 53.33 1de1 n ASN 10 Cb 0.00 -0.01 0.21 0.00 -0.61 0.00 0.00 39.78 39.38 1de1 n ASN 10 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1de1 n ILE 11 N -0.27 0.26 -3.24 2.41 2.08 -1.26 -4.84 119.36 114.50 1de1 n ILE 11 Ca 0.20 -0.20 0.03 0.00 0.56 0.00 0.00 62.75 63.35 1de1 n ILE 11 Cb 0.25 -0.06 -0.04 0.00 -0.75 0.00 0.00 39.64 39.04 1de1 n ILE 11 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1de1 s HIS 12 N -3.12 -0.30 0.73 1.39 2.46 -1.21 -4.88 115.29 110.37 1de1 s HIS 12 Ca 0.08 0.48 -0.09 0.00 0.47 0.00 0.00 55.06 55.99 1de1 s HIS 12 Cb 0.15 0.16 0.06 0.00 -0.13 0.00 0.00 32.58 32.81 1de1 s HIS 12 CO 0.71 -0.15 1.08 0.21 -2.47 0.00 0.00 174.74 174.11 1de1 s LYS 13 N 2.34 2.29 -0.30 2.88 2.20 -1.26 -3.93 119.74 123.96 1de1 s LYS 13 Ca -0.01 0.03 -0.15 0.00 -0.36 0.00 0.00 55.97 55.47 1de1 s LYS 13 Cb -0.04 -2.07 0.18 0.00 -1.51 0.00 0.00 37.83 34.39 1de1 s LYS 13 CO -0.15 -1.29 1.14 0.00 -0.36 0.00 0.00 175.35 174.69 1de1 h VAL 15 N 4.99 0.00 0.00 0.00 -1.51 -1.98 -2.48 116.25 115.27 1de1 h VAL 15 Ca -0.11 -0.34 -0.13 0.00 -1.23 0.00 0.00 66.70 64.89 1de1 h VAL 15 Cb 1.18 1.17 -0.02 0.00 -2.13 0.00 0.00 31.29 31.49 1de1 h VAL 15 CO -0.17 0.00 -0.81 1.88 -1.23 0.00 0.00 177.57 177.24 1de1 h TYR 16 N 0.00 0.00 0.53 5.19 -1.99 -2.00 -3.21 116.97 115.49 1de1 h TYR 16 Ca 0.00 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 1de1 h TYR 16 Cb 0.43 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.16 1de1 h TYR 16 CO 0.00 0.57 -0.26 0.00 -0.00 0.00 0.00 178.16 178.47 1de1 h ASP 18 N -0.72 0.00 0.39 0.00 3.32 -1.68 -2.86 116.42 114.87 1de1 h ASP 18 Ca -0.07 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1de1 h ASP 18 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1de1 h ASP 18 CO 0.11 0.00 -0.19 0.78 -1.72 0.00 0.00 179.24 178.22 1de1 h ASN 19 N 0.00 -0.45 -0.92 6.45 -0.26 -1.37 -2.63 115.58 116.40 1de1 h ASN 19 Ca 0.00 0.02 0.12 0.00 -0.56 0.00 0.00 56.30 55.87 1de1 h ASN 19 Cb 0.20 0.12 -0.07 0.00 -1.06 0.00 0.00 38.32 37.50 1de1 h ASN 19 CO 0.00 -0.14 0.59 0.00 -1.06 0.00 0.00 177.43 176.82 1de1 h ALA 20 N -1.39 1.66 -0.11 -0.83 0.00 -1.43 -1.64 119.26 115.51 1de1 h ALA 20 Ca -0.05 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1de1 h ALA 20 Cb 0.41 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1de1 h ALA 20 CO 0.09 0.12 -0.06 0.87 0.00 0.00 0.00 179.25 180.27 1de1 h LYS 21 N 0.86 -0.05 -0.79 0.00 1.79 -1.56 -0.58 116.57 116.24 1de1 h LYS 21 Ca 0.45 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.90 1de1 h LYS 21 Cb 0.53 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.15 1de1 h LYS 21 CO -0.21 -0.03 0.42 -0.09 -1.08 0.00 0.00 179.45 178.46 1de1 h ARG 22 N -0.05 1.11 0.25 3.15 9.65 -0.95 -1.73 114.38 125.81 1de1 h ARG 22 Ca 0.06 -0.13 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 1de1 h ARG 22 Cb 0.14 -0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 28.50 1de1 h ARG 22 CO -0.14 0.82 -0.16 1.25 2.80 0.00 0.00 179.97 184.54 1de1 h LEU 23 N 1.11 -0.39 -0.21 3.80 6.46 -0.67 -0.95 115.31 124.46 1de1 h LEU 23 Ca 0.28 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 58.10 1de1 h LEU 23 Cb 0.05 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 1de1 h LEU 23 CO -0.04 -0.25 0.01 -0.07 -0.62 0.00 0.00 178.44 177.47 1de1 h LEU 24 N -0.39 -0.06 -1.16 2.25 3.38 -0.89 0.88 115.31 119.31 1de1 h LEU 24 Ca -0.02 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.12 1de1 h LEU 24 Cb 0.33 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.07 1de1 h LEU 24 CO 0.02 0.00 0.60 0.74 0.09 0.00 0.00 178.44 179.89 1de1 h THR 25 N 0.08 0.87 0.03 0.22 2.02 -1.15 0.26 112.91 115.25 1de1 h THR 25 Ca 0.10 -0.28 -0.22 0.00 0.77 0.00 0.00 66.41 66.78 1de1 h THR 25 Cb 0.12 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.49 1de1 h THR 25 CO -0.16 0.15 -0.99 0.58 0.37 0.00 0.00 175.52 175.47 1de1 h VAL 26 N 0.83 1.56 0.00 3.16 2.07 -0.07 -3.13 116.25 120.67 1de1 h VAL 26 Ca 0.47 -2.95 0.00 0.00 0.82 0.00 0.00 66.70 65.04 1de1 h VAL 26 Cb 0.61 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 1de1 h VAL 26 CO -0.23 0.85 0.00 0.11 0.02 0.00 0.00 177.57 178.32 1de1 h LYS 27 N 0.06 0.00 -2.70 1.57 6.56 0.29 -3.47 116.57 118.88 1de1 h LYS 27 Ca -0.05 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.47 1de1 h LYS 27 Cb 1.68 0.00 0.03 0.00 -0.57 0.00 0.00 32.23 33.37 1de1 h LYS 27 CO 0.15 0.00 -0.15 1.17 -2.06 0.00 0.00 179.45 178.56 1de1 n LYS 28 N -2.41 -1.29 -3.93 3.15 3.00 0.69 -5.04 118.16 112.32 1de1 n LYS 28 Ca 0.03 0.17 -0.16 0.00 -0.00 0.00 0.00 58.31 58.35 1de1 n LYS 28 Cb 0.33 -3.15 -0.16 0.00 0.00 0.00 0.00 35.03 32.05 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 -4.28 0.25 0.65 1.64 1.11 -0.93 -5.05 119.66 113.06 1de1 s GLN 29 Ca 0.00 0.05 -0.11 0.00 0.01 0.00 0.00 55.36 55.31 1de1 s GLN 29 Cb -0.00 -0.40 -0.02 0.00 -1.01 0.00 0.00 33.01 31.57 1de1 s GLN 29 CO 0.14 -0.10 1.05 -1.25 0.01 0.00 0.00 175.29 175.14 1de1 s PRO 30 N 0.81 3.33 0.27 2.91 0.04 -1.26 -4.40 135.00 136.70 1de1 s PRO 30 Ca -0.08 0.69 -0.21 0.00 0.04 0.00 0.00 61.00 61.44 1de1 s PRO 30 Cb -0.11 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.41 1de1 s PRO 30 CO -0.02 -0.75 0.78 -0.59 0.04 0.00 0.00 177.00 176.46 1de1 s PHE 31 N -3.22 -0.13 -0.07 0.56 -0.71 -1.26 -2.56 117.98 110.59 1de1 s PHE 31 Ca 0.56 -0.34 -0.00 0.00 -1.04 0.00 0.00 56.93 56.11 1de1 s PHE 31 Cb -0.11 0.72 0.02 0.00 -1.21 0.00 0.00 43.02 42.44 1de1 s PHE 31 CO 0.54 -1.22 -0.04 -2.00 -1.34 0.00 0.00 175.22 171.16 1de1 s GLU 32 N -3.53 0.97 0.41 1.99 2.56 0.18 -4.78 118.70 116.49 1de1 s GLU 32 Ca 0.12 -0.08 -0.05 0.00 0.00 0.00 0.00 54.97 54.96 1de1 s GLU 32 Cb -0.05 -1.10 -0.04 0.00 2.00 0.00 0.00 34.13 34.93 1de1 s GLU 32 CO 0.07 -0.20 0.70 0.12 -0.56 0.00 0.00 175.26 175.39 1de1 s PHE 33 N 1.47 3.52 -0.13 5.30 5.36 -1.26 -2.13 117.98 130.10 1de1 s PHE 33 Ca -0.02 0.75 -0.06 0.00 -0.96 0.00 0.00 56.93 56.65 1de1 s PHE 33 Cb -0.13 -2.23 0.06 0.00 -0.34 0.00 0.00 43.02 40.38 1de1 s PHE 33 CO -0.04 -0.09 0.30 0.42 -1.46 0.00 0.00 175.22 174.35 1de1 s ILE 34 N -2.47 -0.24 -0.28 3.12 1.01 -0.68 -4.88 121.20 116.77 1de1 s ILE 34 Ca 0.46 0.19 -0.29 0.00 0.00 0.00 0.00 60.65 61.01 1de1 s ILE 34 Cb -0.10 -0.47 -0.00 0.00 0.01 0.00 0.00 42.46 41.89 1de1 s ILE 34 CO 0.38 0.08 1.30 0.20 0.00 0.00 0.00 174.94 176.90 1de1 s ASN 35 N 1.86 6.71 0.18 3.58 0.01 -1.26 -3.00 114.94 123.02 1de1 s ASN 35 Ca -0.05 1.30 0.23 0.00 -0.71 0.00 0.00 52.86 53.63 1de1 s ASN 35 Cb -0.11 -2.54 0.04 0.00 0.41 0.00 0.00 41.25 39.05 1de1 s ASN 35 CO -0.10 -1.03 1.07 -0.38 -1.51 0.00 0.00 177.10 175.15 1de1 n ILE 36 N 6.08 0.55 -3.92 0.60 2.08 -0.88 -4.59 119.36 119.30 1de1 n ILE 36 Ca 0.15 -0.50 -0.29 0.00 0.56 0.00 0.00 62.75 62.67 1de1 n ILE 36 Cb 0.46 -0.28 -0.13 0.00 -0.75 0.00 0.00 39.64 38.95 1de1 n ILE 36 CO 0.00 0.00 0.00 -0.32 0.56 0.00 0.00 176.55 176.79 1de1 s MET 37 N -3.33 2.24 0.37 0.38 1.75 -1.26 0.15 119.30 119.59 1de1 s MET 37 Ca 0.00 -3.03 0.27 0.00 -1.25 0.00 0.00 55.69 51.69 1de1 s MET 37 Cb 0.10 -3.35 1.16 0.00 2.84 0.00 0.00 34.83 35.58 1de1 s MET 37 CO 0.78 -1.21 1.82 -1.00 -0.65 0.00 0.00 175.02 174.76 1de1 h PRO 38 N 5.87 0.00 -3.66 4.11 0.13 -1.81 -3.43 132.00 133.21 1de1 h PRO 38 Ca 0.05 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.93 1de1 h PRO 38 Cb 0.81 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.64 1de1 h PRO 38 CO 0.70 0.00 -0.72 -1.83 -0.23 0.00 0.00 178.00 175.92 1de1 s GLU 39 N -3.46 -0.01 0.00 0.86 -1.05 -1.26 -5.01 118.70 108.77 1de1 s GLU 39 Ca 0.03 0.06 0.00 0.00 -0.15 0.00 0.00 54.97 54.91 1de1 s GLU 39 Cb 0.09 -0.08 0.00 0.00 -0.44 0.00 0.00 34.13 33.70 1de1 s GLU 39 CO 0.43 -0.06 0.94 0.36 0.95 0.00 0.00 175.26 177.88 1de1 n LYS 40 N 3.45 0.00 0.06 -4.83 0.00 -1.26 -2.46 118.16 113.12 1de1 n LYS 40 Ca -0.17 0.44 -0.04 0.00 -0.00 0.00 0.00 58.31 58.53 1de1 n LYS 40 Cb 0.57 -1.52 -0.02 0.00 -0.00 0.00 0.00 35.03 34.06 1de1 n LYS 40 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1de1 h GLY 41 N 0.00 -0.27 -3.87 2.58 0.00 -1.96 -3.49 103.07 96.07 1de1 h GLY 41 Ca 0.00 0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.34 1de1 h GLY 41 CO 0.00 -0.10 -0.22 0.14 0.00 0.00 0.00 176.54 176.36 1de1 s VAL 42 N -2.43 0.07 1.15 4.60 1.01 -1.03 -5.17 120.40 118.61 1de1 s VAL 42 Ca -0.04 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 1de1 s VAL 42 Cb 0.00 -0.91 0.27 0.00 0.00 0.00 0.00 36.38 35.74 1de1 s VAL 42 CO 0.14 -0.34 1.04 -0.36 0.00 0.00 0.00 175.10 175.58 1de1 s PHE 43 N -2.41 1.42 -0.63 5.22 0.08 -1.26 -4.14 117.98 116.26 1de1 s PHE 43 Ca -0.06 1.04 -0.22 0.00 0.12 0.00 0.00 56.93 57.81 1de1 s PHE 43 Cb -0.01 -3.14 0.07 0.00 -0.57 0.00 0.00 43.02 39.37 1de1 s PHE 43 CO -0.02 -3.73 0.90 0.34 -0.10 0.00 0.00 175.22 172.61 1de1 s ASP 44 N -2.85 6.19 0.56 1.36 2.15 0.39 -4.89 116.67 119.58 1de1 s ASP 44 Ca 0.68 -1.00 0.29 0.00 0.43 0.00 0.00 52.55 52.95 1de1 s ASP 44 Cb -0.22 -2.39 1.47 0.00 -0.30 0.00 0.00 42.92 41.47 1de1 s ASP 44 CO 0.62 -1.34 1.92 0.44 -0.17 0.00 0.00 175.17 176.64 1de1 h ASP 45 N 9.45 0.00 0.75 -0.34 3.32 -1.92 -0.42 116.42 127.26 1de1 h ASP 45 Ca -0.29 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.73 1de1 h ASP 45 Cb 1.07 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.63 1de1 h ASP 45 CO 1.15 0.00 -0.36 -0.33 -1.72 0.00 0.00 179.24 177.98 1de1 h GLU 46 N 0.00 -0.97 -0.20 3.56 5.08 -1.97 0.79 114.58 120.88 1de1 h GLU 46 Ca 0.28 0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.65 1de1 h GLU 46 Cb 1.29 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 1de1 h GLU 46 CO -0.00 -0.63 -0.14 0.87 -1.00 0.00 0.00 179.01 178.11 1de1 h LYS 47 N -1.09 0.34 -0.29 2.33 1.79 -1.73 -2.48 116.57 115.43 1de1 h LYS 47 Ca -0.10 -0.09 -0.15 0.00 -2.18 0.00 0.00 60.65 58.13 1de1 h LYS 47 Cb 0.79 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 1de1 h LYS 47 CO 0.17 0.48 -0.41 0.82 -1.08 0.00 0.00 179.45 179.43 1de1 h ILE 48 N 0.31 1.29 -0.08 1.86 1.08 -0.91 -2.63 117.51 118.43 1de1 h ILE 48 Ca 0.06 -1.59 0.02 0.00 -0.39 0.00 0.00 64.86 62.96 1de1 h ILE 48 Cb 0.44 1.51 -0.03 0.00 -3.07 0.00 0.00 36.82 35.68 1de1 h ILE 48 CO 0.03 0.51 -0.07 0.00 -0.69 0.00 0.00 178.15 177.93 1de1 h ALA 49 N 0.96 -0.00 -0.37 1.87 0.00 0.11 -1.44 119.26 120.39 1de1 h ALA 49 Ca 0.04 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1de1 h ALA 49 Cb 0.96 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1de1 h ALA 49 CO 0.09 -0.54 0.14 1.49 0.00 0.00 0.00 179.25 180.43 1de1 h GLU 50 N -0.09 0.51 0.19 0.00 4.81 -1.51 -2.71 114.58 115.79 1de1 h GLU 50 Ca 0.06 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1de1 h GLU 50 Cb 0.16 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1de1 h GLU 50 CO -0.13 0.43 -0.13 1.25 -0.73 0.00 0.00 179.01 179.70 1de1 h LEU 51 N 0.51 -0.34 -0.92 1.64 6.46 -0.91 -2.30 115.31 119.46 1de1 h LEU 51 Ca 0.13 0.03 0.14 0.00 -0.12 0.00 0.00 57.88 58.05 1de1 h LEU 51 Cb 0.12 0.11 -0.09 0.00 -0.73 0.00 0.00 40.66 40.06 1de1 h LEU 51 CO -0.01 -0.21 0.53 -0.07 -0.62 0.00 0.00 178.44 178.05 1de1 h LEU 52 N -0.33 0.71 -0.31 2.25 3.38 -1.00 -1.19 115.31 118.82 1de1 h LEU 52 Ca -0.01 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1de1 h LEU 52 Cb 0.28 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1de1 h LEU 52 CO 0.00 0.33 0.15 0.74 0.09 0.00 0.00 178.44 179.75 1de1 h THR 53 N 0.78 0.98 -0.29 0.22 2.02 -1.25 -1.76 112.91 113.61 1de1 h THR 53 Ca 0.48 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.54 1de1 h THR 53 Cb 0.61 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1de1 h THR 53 CO -0.32 0.06 0.10 0.11 0.37 0.00 0.00 175.52 175.83 1de1 h LYS 54 N 0.31 0.41 0.43 6.66 1.57 -0.71 -2.88 116.57 122.36 1de1 h LYS 54 Ca 0.13 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1de1 h LYS 54 Cb 0.05 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1de1 h LYS 54 CO -0.09 0.36 -0.21 -0.07 -0.57 0.00 0.00 179.45 178.87 1de1 h LEU 55 N 0.41 -0.50 0.00 2.94 3.38 -0.44 -3.41 115.31 117.69 1de1 h LEU 55 Ca 0.10 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1de1 h LEU 55 Cb 0.12 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1de1 h LEU 55 CO -0.01 -0.35 0.00 0.61 0.09 0.00 0.00 178.44 178.78 1de1 n GLY 56 N -1.34 -0.73 1.43 0.83 0.00 -0.97 -4.98 105.19 99.43 1de1 n GLY 56 Ca -0.11 0.41 -0.02 0.00 0.00 0.00 0.00 46.02 46.30 1de1 n GLY 56 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1de1 n ARG 57 N 0.00 0.19 0.00 1.61 1.85 -1.26 -4.68 116.66 114.37 1de1 n ARG 57 Ca 0.00 -1.59 0.00 0.00 -1.00 0.00 0.00 57.85 55.26 1de1 n ARG 57 Cb 0.00 0.15 0.00 0.00 -1.05 0.00 0.00 32.46 31.56 1de1 n ARG 57 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1de1 n ASP 58 N 0.08 0.00 -4.68 2.89 5.75 -1.26 -5.17 116.55 114.15 1de1 n ASP 58 Ca -0.11 0.00 -0.27 0.00 -0.01 0.00 0.00 54.79 54.41 1de1 n ASP 58 Cb 0.91 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.91 1de1 n ASP 58 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1de1 s THR 59 N 3.46 2.11 -0.66 2.12 -1.32 -1.26 -5.05 115.64 115.04 1de1 s THR 59 Ca 0.00 -1.85 -0.26 0.00 -1.21 0.00 0.00 61.69 58.37 1de1 s THR 59 Cb 0.00 -2.96 -0.03 0.00 -1.51 0.00 0.00 72.50 68.00 1de1 s THR 59 CO 0.00 0.00 1.89 0.00 -2.21 0.00 0.00 174.62 174.30 1de1 s GLN 60 N -3.82 2.60 -1.09 7.08 -2.07 -1.26 -4.90 119.66 116.20 1de1 s GLN 60 Ca 0.37 0.48 -0.22 0.00 -1.82 0.00 0.00 55.36 54.17 1de1 s GLN 60 Cb 0.07 -4.50 0.06 0.00 -1.09 0.00 0.00 33.01 27.54 1de1 s GLN 60 CO 0.20 -2.86 1.52 0.96 -1.32 0.00 0.00 175.29 173.79 1de1 s ILE 61 N 9.33 3.98 -1.73 3.63 -4.36 -1.26 -4.05 121.20 126.74 1de1 s ILE 61 Ca 0.68 -1.08 -0.01 0.00 -0.26 0.00 0.00 60.65 59.98 1de1 s ILE 61 Cb -0.12 -5.09 0.00 0.00 1.25 0.00 0.00 42.46 38.50 1de1 s ILE 61 CO 0.17 -1.96 0.11 0.61 0.24 0.00 0.00 174.94 174.11 1de1 n GLY 62 N 6.47 -0.49 3.53 6.27 0.00 -1.26 -4.85 105.19 114.86 1de1 n GLY 62 Ca 0.37 0.01 -0.58 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.15 0.32 -4.28 0.99 7.99 -1.26 -4.96 117.00 112.64 1de1 n LEU 63 Ca -0.22 1.15 -0.21 0.00 -0.01 0.00 0.00 56.01 56.72 1de1 n LEU 63 Cb 0.68 -0.96 -0.11 0.00 -0.11 0.00 0.00 43.42 42.91 1de1 n LEU 63 CO 0.32 -1.72 -0.48 -0.89 -1.51 0.00 0.00 177.39 173.11 1de1 s THR 64 N 0.24 1.59 0.05 -5.08 2.01 -1.26 -5.14 115.64 108.05 1de1 s THR 64 Ca 0.91 -1.74 0.06 0.00 0.31 0.00 0.00 61.69 61.23 1de1 s THR 64 Cb -1.23 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 1de1 s THR 64 CO 0.57 -0.29 -0.12 -0.04 -0.69 0.00 0.00 174.62 174.04 1de1 s MET 65 N -2.51 2.22 0.05 4.92 1.00 -1.26 -3.34 119.30 120.38 1de1 s MET 65 Ca 0.10 -0.92 -0.25 0.00 0.00 0.00 0.00 55.69 54.62 1de1 s MET 65 Cb -0.07 -2.31 -0.05 0.00 0.00 0.00 0.00 34.83 32.40 1de1 s MET 65 CO 0.05 0.55 0.77 -1.25 0.00 0.00 0.00 175.02 175.13 1de1 s PRO 66 N -1.69 4.50 -0.05 2.03 0.05 -1.26 -5.04 135.00 133.55 1de1 s PRO 66 Ca 0.17 1.07 -0.19 0.00 0.05 0.00 0.00 61.00 62.10 1de1 s PRO 66 Cb -0.11 -3.36 -0.05 0.00 0.05 0.00 0.00 34.50 31.03 1de1 s PRO 66 CO 0.09 0.28 0.55 -1.14 0.05 0.00 0.00 177.00 176.82 1de1 s GLN 67 N -0.05 4.30 0.20 4.56 2.00 0.11 -4.39 119.66 126.38 1de1 s GLN 67 Ca 0.39 0.62 0.06 0.00 -2.00 0.00 0.00 55.36 54.43 1de1 s GLN 67 Cb -0.21 -3.37 -0.04 0.00 0.80 0.00 0.00 33.01 30.19 1de1 s GLN 67 CO 0.23 0.30 0.11 0.08 -0.50 0.00 0.00 175.29 175.51 1de1 s VAL 68 N 0.09 4.22 -0.05 1.34 1.01 0.10 0.14 120.40 127.25 1de1 s VAL 68 Ca 0.29 -1.30 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 1de1 s VAL 68 Cb -0.17 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.04 1de1 s VAL 68 CO 0.15 -0.19 0.11 -0.36 0.00 0.00 0.00 175.10 174.81 1de1 s PHE 69 N -1.89 -0.12 0.56 5.22 0.08 0.20 -2.65 117.98 119.39 1de1 s PHE 69 Ca 0.31 0.33 -0.19 0.00 0.12 0.00 0.00 56.93 57.50 1de1 s PHE 69 Cb -0.09 -0.01 -0.07 0.00 -0.57 0.00 0.00 43.02 42.27 1de1 s PHE 69 CO 0.22 -0.09 0.73 0.00 -0.10 0.00 0.00 175.22 175.98 1de1 n ALA 70 N 3.45 -0.55 0.42 5.36 0.00 0.20 -0.35 120.51 129.03 1de1 n ALA 70 Ca -0.17 0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.36 1de1 n ALA 70 Cb 0.56 -1.95 0.35 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.39 0.07 -0.01 0.00 -0.02 -1.17 -2.24 135.00 131.24 1de1 n PRO 71 Ca 0.12 0.34 0.07 0.00 -2.02 0.00 0.00 63.50 62.01 1de1 n PRO 71 Cb 0.46 -1.63 -0.11 0.00 -0.02 0.00 0.00 33.50 32.20 1de1 n PRO 71 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1de1 n ASP 72 N -1.76 1.49 0.00 2.55 5.75 -1.26 -4.76 116.55 118.56 1de1 n ASP 72 Ca 0.03 -0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.70 1de1 n ASP 72 Cb 0.17 1.59 0.00 0.00 -1.03 0.00 0.00 41.12 41.85 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 1.62 1.28 3.15 6.12 0.00 -0.95 -5.17 105.19 111.24 1de1 n GLY 73 Ca -0.02 -0.61 0.04 0.00 0.00 0.00 0.00 46.02 45.44 1de1 n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1de1 s SER 74 N 0.00 -0.01 -0.08 1.61 1.04 -1.26 -4.89 113.70 110.10 1de1 s SER 74 Ca 0.00 0.02 -0.31 0.00 0.48 0.00 0.00 55.95 56.14 1de1 s SER 74 Cb 0.00 1.02 -0.09 0.00 0.10 0.00 0.00 66.02 67.05 1de1 s SER 74 CO 0.00 -0.00 2.04 1.57 0.98 0.00 0.00 173.24 177.83 1de1 n HIS 75 N 4.74 2.27 -0.08 5.02 -0.00 -1.26 0.61 115.22 126.52 1de1 n HIS 75 Ca -0.07 -0.20 -0.23 0.00 0.46 0.00 0.00 57.72 57.68 1de1 n HIS 75 Cb 0.56 -2.74 -0.12 0.00 -0.12 0.00 0.00 29.99 27.56 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 6.20 1.61 0.00 3.57 5.41 -1.08 -4.88 119.36 130.18 1de1 n ILE 76 Ca 0.25 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1de1 n ILE 76 Cb 0.39 -1.90 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 1.62 0.79 0.00 7.39 0.00 -1.21 -4.62 105.19 109.17 1de1 n GLY 77 Ca -0.36 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 43.79 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 1.38 0.03 -0.02 0.00 -1.26 0.03 105.19 105.34 1de1 n GLY 78 Ca 0.00 -1.55 -0.01 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.06 -0.75 1.61 3.57 -1.95 -2.54 116.94 116.82 1de1 h PHE 79 Ca 0.00 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1de1 h PHE 79 Cb 0.00 0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.69 1de1 h PHE 79 CO 0.00 -0.04 0.39 0.22 -2.23 0.00 0.00 178.31 176.65 1de1 h ASP 80 N -0.12 0.51 -0.90 0.41 1.82 -1.99 -0.36 116.42 115.80 1de1 h ASP 80 Ca -0.01 0.06 0.11 0.00 -0.39 0.00 0.00 57.03 56.81 1de1 h ASP 80 Cb 0.05 -0.03 -0.07 0.00 0.68 0.00 0.00 39.33 39.97 1de1 h ASP 80 CO 0.01 0.28 0.58 1.56 -1.61 0.00 0.00 179.24 180.06 1de1 h GLN 81 N 0.64 0.81 -0.21 0.28 1.08 -1.90 -1.66 115.11 114.15 1de1 h GLN 81 Ca 0.38 -0.05 -0.17 0.00 -1.45 0.00 0.00 58.65 57.36 1de1 h GLN 81 Cb 0.41 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1de1 h GLN 81 CO -0.28 0.53 -0.53 1.25 -0.95 0.00 0.00 178.83 178.86 1de1 h LEU 82 N 0.83 0.83 -2.00 1.46 5.85 -0.64 -2.85 115.31 118.78 1de1 h LEU 82 Ca 0.43 -0.57 0.23 0.00 0.84 0.00 0.00 57.88 58.81 1de1 h LEU 82 Cb 0.51 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1de1 h LEU 82 CO -0.19 1.25 0.57 -0.09 -0.34 0.00 0.00 178.44 179.64 1de1 h ARG 83 N 0.44 0.00 -0.10 1.25 9.65 -0.39 1.31 114.38 126.54 1de1 h ARG 83 Ca -0.01 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.70 1de1 h ARG 83 Cb 1.14 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.72 1de1 h ARG 83 CO 0.11 0.00 -0.68 1.49 2.80 0.00 0.00 179.97 183.69 1de1 h GLU 84 N 0.00 0.44 -0.31 0.20 4.57 -1.25 0.60 114.58 118.83 1de1 h GLU 84 Ca 0.38 -0.34 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 1de1 h GLU 84 Cb 1.52 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 30.16 1de1 h GLU 84 CO -0.00 0.96 0.01 -0.92 -1.18 0.00 0.00 179.01 177.88 1de1 h TYR 85 N 0.31 0.48 0.00 0.92 5.03 0.18 -2.38 116.97 121.51 1de1 h TYR 85 Ca -0.02 -0.04 -0.18 0.00 2.58 0.00 0.00 58.73 61.06 1de1 h TYR 85 Cb 1.25 -0.14 -0.03 0.00 1.55 0.00 0.00 36.73 39.35 1de1 h TYR 85 CO 0.04 0.47 -1.25 0.74 -1.32 0.00 0.00 178.16 176.85 1de1 h PHE 86 N 0.46 0.00 0.00 -3.82 0.04 -0.76 -3.51 116.94 109.34 1de1 h PHE 86 Ca 0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1de1 h PHE 86 Cb 0.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.43 1de1 h PHE 86 CO 0.01 0.69 0.00 0.36 -0.60 0.00 0.00 178.31 178.77