#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de1 n PHE 2 N 0.00 1.63 -3.20 1.12 3.72 -1.26 -3.77 117.46 115.70 1de1 n PHE 2 Ca 0.00 1.13 -0.39 0.00 -0.05 0.00 0.00 57.45 58.13 1de1 n PHE 2 Cb 0.00 -2.19 -0.06 0.00 -0.94 0.00 0.00 39.48 36.29 1de1 n PHE 2 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1de1 s LYS 3 N 2.69 4.20 -0.20 -1.08 3.01 0.19 0.13 119.74 128.68 1de1 s LYS 3 Ca 1.02 0.49 -0.09 0.00 -1.01 0.00 0.00 55.97 56.38 1de1 s LYS 3 Cb -1.46 -3.56 -0.04 0.00 -1.01 0.00 0.00 37.83 31.75 1de1 s LYS 3 CO 0.79 -0.17 0.10 0.08 0.51 0.00 0.00 175.35 176.65 1de1 s VAL 4 N 1.70 5.04 -0.52 3.17 1.01 0.94 0.11 120.40 131.84 1de1 s VAL 4 Ca 0.26 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 1de1 s VAL 4 Cb -0.16 -3.30 0.13 0.00 0.00 0.00 0.00 36.38 33.06 1de1 s VAL 4 CO 0.10 0.42 0.42 -0.31 0.00 0.00 0.00 175.10 175.73 1de1 s TYR 5 N 0.59 3.41 0.00 5.22 1.51 0.53 -0.21 117.35 128.40 1de1 s TYR 5 Ca 0.05 -1.78 0.00 0.00 -1.01 0.00 0.00 57.07 54.34 1de1 s TYR 5 Cb -0.12 -3.58 0.00 0.00 -0.11 0.00 0.00 41.96 38.14 1de1 s TYR 5 CO 0.01 -0.99 0.00 0.41 -1.11 0.00 0.00 175.55 173.86 1de1 n GLY 6 N 4.87 3.49 3.33 0.71 0.00 -0.95 0.77 105.19 117.41 1de1 n GLY 6 Ca -0.07 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 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 0.11 1.88 0.00 1.61 2.02 -1.26 -2.41 117.35 119.30 1de1 s TYR 7 Ca 0.00 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 1de1 s TYR 7 Cb 0.00 -0.96 0.00 0.00 -0.40 0.00 0.00 41.96 40.60 1de1 s TYR 7 CO 0.00 0.32 0.16 -0.25 -1.57 0.00 0.00 175.55 174.21 1de1 n ASP 8 N 0.49 0.00 0.00 2.29 8.00 -1.26 -4.68 116.55 121.38 1de1 n ASP 8 Ca -0.15 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1de1 n ASP 8 Cb 0.56 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 1de1 n ASP 8 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1de1 n SER 9 N -0.91 0.00 0.06 -2.24 7.64 -1.10 -4.61 113.62 112.46 1de1 n SER 9 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 1de1 n SER 9 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 1de1 n SER 9 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1de1 h ASN 10 N 0.00 0.02 0.04 6.43 4.21 -1.99 -3.36 115.58 120.91 1de1 h ASN 10 Ca 0.00 -0.02 -0.28 0.00 1.21 0.00 0.00 56.30 57.21 1de1 h ASN 10 Cb 0.00 -0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 37.16 1de1 h ASN 10 CO 0.00 1.01 -1.52 -0.38 -1.29 0.00 0.00 177.43 175.25 1de1 n ILE 11 N -3.34 1.61 -3.81 2.81 -0.00 -1.26 -5.00 119.36 110.35 1de1 n ILE 11 Ca -0.01 -0.22 -0.11 0.00 -0.00 0.00 0.00 62.75 62.41 1de1 n ILE 11 Cb 0.95 -1.95 -0.08 0.00 -0.00 0.00 0.00 39.64 38.56 1de1 n ILE 11 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 1de1 s HIS 12 N -2.42 -0.02 0.56 1.39 2.46 -1.26 -4.85 115.29 111.14 1de1 s HIS 12 Ca -0.27 -0.13 -0.19 0.00 0.47 0.00 0.00 55.06 54.93 1de1 s HIS 12 Cb 0.06 0.02 -0.05 0.00 -0.13 0.00 0.00 32.58 32.48 1de1 s HIS 12 CO 0.64 -0.43 1.18 -1.59 -2.47 0.00 0.00 174.74 172.06 1de1 s LYS 13 N -2.31 3.20 -0.40 2.88 -2.85 -1.26 -2.71 119.74 116.29 1de1 s LYS 13 Ca -0.07 1.75 0.03 0.00 -1.00 0.00 0.00 55.97 56.67 1de1 s LYS 13 Cb -0.02 -2.01 0.19 0.00 -2.06 0.00 0.00 37.83 33.93 1de1 s LYS 13 CO -0.02 -1.01 0.78 0.00 0.10 0.00 0.00 175.35 175.20 1de1 n VAL 15 N 3.86 1.36 0.10 0.00 0.24 -1.26 -3.72 118.33 118.91 1de1 n VAL 15 Ca 0.11 -0.74 0.02 0.00 -2.04 0.00 0.00 64.34 61.70 1de1 n VAL 15 Cb 0.59 -0.85 0.38 0.00 -1.47 0.00 0.00 33.84 32.49 1de1 n VAL 15 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1de1 h TYR 16 N 0.00 0.29 0.06 6.34 0.05 -1.95 -2.73 116.97 119.02 1de1 h TYR 16 Ca -0.22 -0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.39 1de1 h TYR 16 Cb 1.77 -0.08 0.01 0.00 1.01 0.00 0.00 36.73 39.44 1de1 h TYR 16 CO 0.00 0.38 -0.57 0.00 -1.05 0.00 0.00 178.16 176.92 1de1 h ASP 18 N -0.36 0.59 0.28 0.00 1.82 -1.60 0.46 116.42 117.60 1de1 h ASP 18 Ca -0.09 0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1de1 h ASP 18 Cb 1.37 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.37 1de1 h ASP 18 CO 0.11 0.16 -0.13 0.78 -1.61 0.00 0.00 179.24 178.55 1de1 h ASN 19 N 0.55 -0.32 -0.97 2.28 2.35 -1.54 -2.95 115.58 114.98 1de1 h ASN 19 Ca 0.58 -0.21 0.18 0.00 -0.55 0.00 0.00 56.30 56.30 1de1 h ASN 19 Cb 1.21 0.08 -0.09 0.00 0.05 0.00 0.00 38.32 39.57 1de1 h ASN 19 CO -0.34 0.11 0.61 0.00 -1.65 0.00 0.00 177.43 176.17 1de1 h ALA 20 N -0.34 1.82 0.14 -0.83 0.00 -1.13 0.03 119.26 118.95 1de1 h ALA 20 Ca -0.04 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1de1 h ALA 20 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1de1 h ALA 20 CO 0.06 -0.14 -0.13 -0.22 0.00 0.00 0.00 179.25 178.82 1de1 h LYS 21 N 0.69 -0.29 -0.68 0.00 3.64 -0.94 0.10 116.57 119.10 1de1 h LYS 21 Ca 0.53 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.92 1de1 h LYS 21 Cb 0.91 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 1de1 h LYS 21 CO -0.29 -0.19 0.38 0.00 -2.27 0.00 0.00 179.45 177.08 1de1 h ARG 22 N -0.30 0.93 0.38 1.90 2.47 -1.05 -1.38 114.38 117.33 1de1 h ARG 22 Ca 0.00 -0.09 -0.02 0.00 -1.26 0.00 0.00 59.98 58.61 1de1 h ARG 22 Cb 0.28 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1de1 h ARG 22 CO -0.03 0.68 -0.19 1.25 0.56 0.00 0.00 179.97 182.23 1de1 h LEU 23 N 0.94 -0.46 -0.67 3.04 6.46 -0.38 0.18 115.31 124.43 1de1 h LEU 23 Ca 0.24 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 58.09 1de1 h LEU 23 Cb 0.01 0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 40.00 1de1 h LEU 23 CO -0.04 -0.32 0.36 -0.07 -0.62 0.00 0.00 178.44 177.75 1de1 h LEU 24 N -0.52 0.52 -0.85 2.25 3.38 -0.49 0.87 115.31 120.46 1de1 h LEU 24 Ca -0.05 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1de1 h LEU 24 Cb 0.41 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1de1 h LEU 24 CO 0.08 0.33 0.56 0.74 0.09 0.00 0.00 178.44 180.23 1de1 h THR 25 N 0.65 1.22 -0.11 0.22 2.02 -0.99 0.22 112.91 116.14 1de1 h THR 25 Ca 0.31 -0.41 -0.18 0.00 0.77 0.00 0.00 66.41 66.90 1de1 h THR 25 Cb 0.23 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.61 1de1 h THR 25 CO -0.20 0.21 -0.69 0.58 0.37 0.00 0.00 175.52 175.79 1de1 h VAL 26 N 1.15 1.35 0.00 3.16 2.07 0.25 -2.90 116.25 121.33 1de1 h VAL 26 Ca 0.31 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 65.79 1de1 h VAL 26 Cb -0.13 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1de1 h VAL 26 CO -0.07 0.62 0.00 1.17 0.02 0.00 0.00 177.57 179.31 1de1 n LYS 27 N -3.88 0.15 -2.45 1.57 0.00 0.29 -4.92 118.16 108.92 1de1 n LYS 27 Ca -0.04 0.24 -0.06 0.00 0.00 0.00 0.00 58.31 58.45 1de1 n LYS 27 Cb 0.69 -1.72 0.03 0.00 0.00 0.00 0.00 35.03 34.03 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 -1.98 -2.10 -3.52 1.64 3.00 0.61 -5.04 118.16 110.77 1de1 n LYS 28 Ca 0.04 0.33 -0.18 0.00 -0.00 0.00 0.00 58.31 58.51 1de1 n LYS 28 Cb 0.31 -3.63 -0.13 0.00 0.00 0.00 0.00 35.03 31.58 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 -4.26 0.18 1.00 1.64 -1.52 -0.22 -5.04 119.66 111.44 1de1 s GLN 29 Ca 0.05 0.27 -0.13 0.00 -1.95 0.00 0.00 55.36 53.60 1de1 s GLN 29 Cb -0.01 -1.05 0.16 0.00 -0.22 0.00 0.00 33.01 31.90 1de1 s GLN 29 CO 0.28 -0.60 0.29 -2.30 -0.25 0.00 0.00 175.29 172.71 1de1 n PRO 30 N 5.32 -2.19 -3.80 2.91 -0.02 -1.26 -4.42 135.00 131.55 1de1 n PRO 30 Ca -0.05 -0.65 -0.05 0.00 -2.02 0.00 0.00 63.50 60.73 1de1 n PRO 30 Cb 0.50 -1.46 -0.02 0.00 -0.02 0.00 0.00 33.50 32.50 1de1 n PRO 30 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1de1 s PHE 31 N -2.07 -0.14 -0.06 6.00 -0.71 -1.26 -4.40 117.98 115.33 1de1 s PHE 31 Ca 0.36 -0.22 -0.01 0.00 -1.04 0.00 0.00 56.93 56.01 1de1 s PHE 31 Cb -0.06 0.67 0.03 0.00 -1.21 0.00 0.00 43.02 42.45 1de1 s PHE 31 CO 0.34 -0.98 0.01 -1.21 -1.34 0.00 0.00 175.22 172.04 1de1 s GLU 32 N -3.49 0.48 0.31 1.99 0.41 0.34 -4.72 118.70 114.01 1de1 s GLU 32 Ca 0.12 0.15 -0.09 0.00 -0.41 0.00 0.00 54.97 54.74 1de1 s GLU 32 Cb -0.03 -0.86 -0.06 0.00 -1.78 0.00 0.00 34.13 31.40 1de1 s GLU 32 CO 0.04 -0.29 0.62 0.12 -0.49 0.00 0.00 175.26 175.27 1de1 s PHE 33 N 1.90 3.45 -0.16 1.61 5.36 -1.26 -0.04 117.98 128.84 1de1 s PHE 33 Ca 0.03 0.86 -0.07 0.00 -0.96 0.00 0.00 56.93 56.79 1de1 s PHE 33 Cb -0.12 -2.27 0.06 0.00 -0.34 0.00 0.00 43.02 40.35 1de1 s PHE 33 CO -0.04 0.12 0.36 0.42 -1.46 0.00 0.00 175.22 174.62 1de1 s ILE 34 N -2.07 -0.21 -0.13 3.12 1.01 0.71 -4.76 121.20 118.86 1de1 s ILE 34 Ca 0.48 0.14 -0.17 0.00 0.00 0.00 0.00 60.65 61.10 1de1 s ILE 34 Cb -0.11 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 1de1 s ILE 34 CO 0.27 0.06 0.45 0.54 0.00 0.00 0.00 174.94 176.26 1de1 s ASN 35 N 1.77 6.63 0.25 3.58 2.20 -1.26 -2.25 114.94 125.86 1de1 s ASN 35 Ca -0.06 0.74 0.23 0.00 -0.94 0.00 0.00 52.86 52.83 1de1 s ASN 35 Cb -0.10 -2.27 0.12 0.00 -2.00 0.00 0.00 41.25 37.00 1de1 s ASN 35 CO -0.11 -0.00 1.21 0.16 -2.94 0.00 0.00 177.10 175.41 1de1 h ILE 36 N 4.76 0.00 -3.35 0.54 -0.00 -1.84 -3.42 117.51 114.20 1de1 h ILE 36 Ca -0.40 -0.95 -0.63 0.00 -0.00 0.00 0.00 64.86 62.87 1de1 h ILE 36 Cb 1.17 1.58 -0.40 0.00 -0.00 0.00 0.00 36.82 39.17 1de1 h ILE 36 CO 0.75 0.00 -0.70 -0.32 -0.00 0.00 0.00 178.15 177.88 1de1 s MET 37 N -3.31 1.46 0.25 0.16 0.00 -1.26 -0.89 119.30 115.70 1de1 s MET 37 Ca 0.02 -2.00 0.24 0.00 0.00 0.00 0.00 55.69 53.95 1de1 s MET 37 Cb 0.09 -2.84 0.94 0.00 0.00 0.00 0.00 34.83 33.02 1de1 s MET 37 CO 0.75 -1.05 1.73 -0.35 0.00 0.00 0.00 175.02 176.10 1de1 n PRO 38 N 3.85 0.21 -3.91 4.11 -0.04 -1.26 -4.74 135.00 133.22 1de1 n PRO 38 Ca 0.04 0.38 -0.11 0.00 -0.04 0.00 0.00 63.50 63.76 1de1 n PRO 38 Cb 0.37 -1.85 -0.13 0.00 -0.04 0.00 0.00 33.50 31.85 1de1 n PRO 38 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1de1 s GLU 39 N -3.27 0.09 0.00 0.54 -1.05 -1.26 -5.01 118.70 108.74 1de1 s GLU 39 Ca 0.06 -0.14 0.08 0.00 -0.15 0.00 0.00 54.97 54.81 1de1 s GLU 39 Cb 0.10 0.01 0.35 0.00 -0.44 0.00 0.00 34.13 34.14 1de1 s GLU 39 CO 0.44 -0.01 1.21 1.17 0.95 0.00 0.00 175.26 179.02 1de1 n LYS 40 N 2.74 0.03 -0.05 -4.83 4.81 -1.26 -2.98 118.16 116.62 1de1 n LYS 40 Ca -0.15 0.32 -0.01 0.00 -0.87 0.00 0.00 58.31 57.61 1de1 n LYS 40 Cb 0.59 -1.50 -0.00 0.00 0.02 0.00 0.00 35.03 34.14 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 1.31 0.00 -5.76 3.14 0.00 -1.97 -3.48 103.07 96.31 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 -0.35 0.14 0.00 0.00 0.00 176.54 176.33 1de1 s VAL 42 N -1.63 -0.04 1.19 4.60 1.01 -1.16 -5.16 120.40 119.21 1de1 s VAL 42 Ca -0.02 0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.94 1de1 s VAL 42 Cb 0.00 -0.55 0.28 0.00 0.00 0.00 0.00 36.38 36.12 1de1 s VAL 42 CO 0.03 0.05 0.91 2.22 0.00 0.00 0.00 175.10 178.30 1de1 n PHE 43 N 4.27 -1.41 -2.72 5.22 1.16 -1.26 -4.29 117.46 118.44 1de1 n PHE 43 Ca -0.24 -0.16 -0.42 0.00 -1.87 0.00 0.00 57.45 54.76 1de1 n PHE 43 Cb 0.54 -1.67 -0.03 0.00 -1.61 0.00 0.00 39.48 36.72 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 -2.33 6.42 0.64 5.98 2.15 -0.07 -4.86 116.67 124.60 1de1 s ASP 44 Ca 0.68 -1.37 0.28 0.00 0.43 0.00 0.00 52.55 52.56 1de1 s ASP 44 Cb -0.24 -2.49 1.50 0.00 -0.30 0.00 0.00 42.92 41.39 1de1 s ASP 44 CO 0.66 -1.42 1.87 0.44 -0.17 0.00 0.00 175.17 176.55 1de1 h ASP 45 N 9.51 0.00 -0.21 -0.34 5.19 -1.90 -1.74 116.42 126.94 1de1 h ASP 45 Ca 0.02 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.47 1de1 h ASP 45 Cb 1.03 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.50 1de1 h ASP 45 CO 1.26 0.00 -0.07 -0.08 -3.12 0.00 0.00 179.24 177.24 1de1 h GLU 46 N 0.00 -0.02 -0.05 3.56 4.81 -1.96 -0.97 114.58 119.95 1de1 h GLU 46 Ca 0.08 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.08 1de1 h GLU 46 Cb 0.91 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.31 1de1 h GLU 46 CO -0.00 -0.01 -0.88 0.87 -0.73 0.00 0.00 179.01 178.25 1de1 h LYS 47 N -0.02 0.69 -0.75 1.92 6.56 -1.70 -3.01 116.57 120.26 1de1 h LYS 47 Ca 0.10 -0.67 0.21 0.00 -1.06 0.00 0.00 60.65 59.23 1de1 h LYS 47 Cb 0.18 0.17 -0.03 0.00 -0.57 0.00 0.00 32.23 31.98 1de1 h LYS 47 CO -0.23 1.27 0.53 0.82 -2.06 0.00 0.00 179.45 179.78 1de1 h ILE 48 N 0.36 0.64 0.12 1.86 5.03 -1.31 0.99 117.51 125.21 1de1 h ILE 48 Ca -0.10 -0.01 -0.01 0.00 -0.12 0.00 0.00 64.86 64.62 1de1 h ILE 48 Cb 1.53 0.59 0.00 0.00 -3.03 0.00 0.00 36.82 35.92 1de1 h ILE 48 CO 0.18 0.01 -0.06 0.00 -0.68 0.00 0.00 178.15 177.60 1de1 h ALA 49 N 1.63 -0.16 0.00 1.87 0.00 -1.14 -2.88 119.26 118.58 1de1 h ALA 49 Ca 0.36 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1de1 h ALA 49 Cb 1.37 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1de1 h ALA 49 CO -0.02 -0.17 -0.05 1.05 0.00 0.00 0.00 179.25 180.06 1de1 h GLU 50 N -1.01 0.00 0.75 0.00 4.11 -1.28 -2.68 114.58 114.47 1de1 h GLU 50 Ca -0.02 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.38 1de1 h GLU 50 Cb 0.32 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.57 1de1 h GLU 50 CO 0.03 0.05 -0.36 1.25 0.07 0.00 0.00 179.01 180.05 1de1 h LEU 51 N 0.00 -0.85 -0.91 3.06 7.12 0.93 0.20 115.31 124.87 1de1 h LEU 51 Ca -0.00 0.01 0.25 0.00 0.13 0.00 0.00 57.88 58.27 1de1 h LEU 51 Cb 0.09 0.22 -0.16 0.00 -0.53 0.00 0.00 40.66 40.28 1de1 h LEU 51 CO 0.01 -0.57 0.10 -0.07 -0.13 0.00 0.00 178.44 177.79 1de1 h LEU 52 N -1.08 -0.28 -0.81 2.25 3.38 -1.25 1.57 115.31 119.09 1de1 h LEU 52 Ca -0.10 0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 1de1 h LEU 52 Cb 0.79 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1de1 h LEU 52 CO 0.17 -0.26 -0.51 0.74 0.09 0.00 0.00 178.44 178.67 1de1 h THR 53 N 0.09 1.35 -0.68 0.22 2.02 -1.37 -3.06 112.91 111.48 1de1 h THR 53 Ca 0.56 -1.75 -0.08 0.00 0.77 0.00 0.00 66.41 65.91 1de1 h THR 53 Cb 1.13 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 69.36 1de1 h THR 53 CO -0.78 0.52 0.11 0.11 0.37 0.00 0.00 175.52 175.85 1de1 h LYS 54 N 0.18 1.12 0.55 6.66 1.79 0.54 -3.28 116.57 124.13 1de1 h LYS 54 Ca 0.01 -0.30 -0.03 0.00 -2.18 0.00 0.00 60.65 58.15 1de1 h LYS 54 Cb 0.95 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 1de1 h LYS 54 CO 0.08 1.02 -0.28 -0.07 -1.08 0.00 0.00 179.45 179.12 1de1 h LEU 55 N 1.05 -0.67 0.00 2.94 4.07 -0.66 -3.41 115.31 118.63 1de1 h LEU 55 Ca 0.21 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.19 1de1 h LEU 55 Cb 0.44 0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.36 1de1 h LEU 55 CO 0.01 -0.46 0.00 0.61 -1.08 0.00 0.00 178.44 177.52 1de1 n GLY 56 N -1.38 0.49 0.00 0.83 0.00 -1.21 -4.77 105.19 99.16 1de1 n GLY 56 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1de1 n GLY 56 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1de1 n ARG 57 N 0.00 1.94 -0.07 1.61 0.63 -1.26 -4.96 116.66 114.55 1de1 n ARG 57 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 1de1 n ARG 57 Cb 0.00 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 32.80 1de1 n ARG 57 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1de1 n ASP 58 N -1.53 1.43 -4.98 6.15 -0.08 -1.26 -3.98 116.55 112.29 1de1 n ASP 58 Ca 0.00 -0.01 -0.20 0.00 -1.51 0.00 0.00 54.79 53.07 1de1 n ASP 58 Cb 0.00 0.79 0.02 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 -2.36 3.14 -0.40 5.18 -1.32 -1.26 -4.87 115.64 113.75 1de1 s THR 59 Ca -0.08 -0.76 -0.02 0.00 -1.21 0.00 0.00 61.69 59.62 1de1 s THR 59 Cb 0.05 -3.13 0.11 0.00 -1.51 0.00 0.00 72.50 68.02 1de1 s THR 59 CO 0.59 -0.08 0.19 0.00 -2.21 0.00 0.00 174.62 173.12 1de1 s GLN 60 N -4.56 1.93 -1.16 7.08 0.00 -1.26 -5.02 119.66 116.67 1de1 s GLN 60 Ca 0.54 -1.85 -0.21 0.00 -0.00 0.00 0.00 55.36 53.84 1de1 s GLN 60 Cb -0.10 -3.53 0.05 0.00 0.00 0.00 0.00 33.01 29.43 1de1 s GLN 60 CO 0.36 -1.06 1.64 0.42 0.00 0.00 0.00 175.29 176.65 1de1 s ILE 61 N 1.07 3.98 -1.73 3.63 1.01 -1.26 -4.00 121.20 123.91 1de1 s ILE 61 Ca 0.09 -1.32 0.00 0.00 0.00 0.00 0.00 60.65 59.42 1de1 s ILE 61 Cb -0.22 -5.06 0.00 0.00 0.01 0.00 0.00 42.46 37.19 1de1 s ILE 61 CO -0.05 -1.89 0.00 0.61 0.00 0.00 0.00 174.94 173.61 1de1 n GLY 62 N 6.10 0.42 3.69 6.18 0.00 -1.26 -4.91 105.19 115.42 1de1 n GLY 62 Ca 0.42 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 1de1 n GLY 62 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1de1 s LEU 63 N -4.92 4.39 0.33 0.99 1.98 -1.26 -4.99 118.68 115.20 1de1 s LEU 63 Ca 0.00 2.66 0.04 0.00 -2.89 0.00 0.00 54.13 53.93 1de1 s LEU 63 Cb 0.00 -3.56 -0.06 0.00 0.66 0.00 0.00 46.19 43.22 1de1 s LEU 63 CO 0.00 -0.96 0.06 0.42 -1.89 0.00 0.00 176.35 173.98 1de1 s THR 64 N 2.71 1.17 0.24 3.68 -4.23 -1.26 -5.10 115.64 112.84 1de1 s THR 64 Ca 0.78 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.36 1de1 s THR 64 Cb -0.44 -2.79 -0.04 0.00 1.34 0.00 0.00 72.50 70.58 1de1 s THR 64 CO 0.35 0.00 0.16 -0.04 -0.54 0.00 0.00 174.62 174.54 1de1 s MET 65 N -3.89 2.83 0.25 3.99 -1.94 -1.26 -4.24 119.30 115.03 1de1 s MET 65 Ca 0.36 -1.07 -0.21 0.00 -1.71 0.00 0.00 55.69 53.06 1de1 s MET 65 Cb 0.09 -2.52 -0.09 0.00 2.01 0.00 0.00 34.83 34.32 1de1 s MET 65 CO 0.15 0.41 0.78 -1.25 -0.01 0.00 0.00 175.02 175.11 1de1 s PRO 66 N -3.68 4.32 -0.21 2.03 0.05 -1.26 -5.03 135.00 131.23 1de1 s PRO 66 Ca 0.32 0.97 -0.03 0.00 0.05 0.00 0.00 61.00 62.31 1de1 s PRO 66 Cb -0.08 -2.83 -0.01 0.00 0.05 0.00 0.00 34.50 31.63 1de1 s PRO 66 CO 0.24 0.35 -0.06 -0.65 0.05 0.00 0.00 177.00 176.93 1de1 s GLN 67 N -2.05 3.37 0.33 4.56 -1.52 0.23 -3.99 119.66 120.60 1de1 s GLN 67 Ca 0.45 -0.64 0.01 0.00 -1.95 0.00 0.00 55.36 53.24 1de1 s GLN 67 Cb -0.17 -2.95 -0.03 0.00 -0.22 0.00 0.00 33.01 29.64 1de1 s GLN 67 CO 0.21 -0.15 0.52 0.08 -0.25 0.00 0.00 175.29 175.71 1de1 s VAL 68 N 1.34 5.11 -0.03 1.09 1.01 0.33 0.20 120.40 129.45 1de1 s VAL 68 Ca 0.04 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 1de1 s VAL 68 Cb -0.14 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.39 1de1 s VAL 68 CO -0.03 -0.52 0.08 -0.36 0.00 0.00 0.00 175.10 174.26 1de1 s PHE 69 N -2.27 -0.08 0.39 5.22 0.08 0.29 -2.91 117.98 118.70 1de1 s PHE 69 Ca 0.39 0.21 -0.25 0.00 0.12 0.00 0.00 56.93 57.40 1de1 s PHE 69 Cb -0.09 -0.00 -0.11 0.00 -0.57 0.00 0.00 43.02 42.24 1de1 s PHE 69 CO 0.35 -0.05 1.03 0.00 -0.10 0.00 0.00 175.22 176.45 1de1 n ALA 70 N 3.24 0.20 -0.24 5.36 0.00 -0.40 0.55 120.51 129.22 1de1 n ALA 70 Ca -0.15 0.27 0.22 0.00 0.00 0.00 0.00 53.44 53.78 1de1 n ALA 70 Cb 0.58 -2.08 0.38 0.00 0.00 0.00 0.00 19.45 18.33 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 0.30 -0.03 -1.28 0.00 -0.01 -1.26 -2.82 135.00 129.91 1de1 n PRO 71 Ca 0.09 0.78 -0.02 0.00 -0.01 0.00 0.00 63.50 64.34 1de1 n PRO 71 Cb 0.38 -1.48 0.01 0.00 -0.01 0.00 0.00 33.50 32.39 1de1 n PRO 71 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 175.50 175.24 1de1 n ASP 72 N -4.08 -0.58 0.00 2.55 9.92 -1.26 -4.40 116.55 118.70 1de1 n ASP 72 Ca 0.24 -1.22 0.00 0.00 -0.53 0.00 0.00 54.79 53.27 1de1 n ASP 72 Cb 0.87 0.22 0.00 0.00 -0.64 0.00 0.00 41.12 41.57 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 -0.31 0.92 3.47 0.44 0.00 -1.13 -5.16 105.19 103.42 1de1 n GLY 73 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 1de1 n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1de1 s SER 74 N 0.48 2.56 0.15 1.61 0.15 -1.26 -4.87 113.70 112.50 1de1 s SER 74 Ca 0.00 -1.68 -0.31 0.00 0.70 0.00 0.00 55.95 54.65 1de1 s SER 74 Cb 0.00 0.51 -0.09 0.00 -1.71 0.00 0.00 66.02 64.73 1de1 s SER 74 CO 0.00 -0.95 1.54 -2.28 1.20 0.00 0.00 173.24 172.74 1de1 s HIS 75 N -3.27 3.06 -0.21 3.44 2.46 -1.26 -1.27 115.29 118.24 1de1 s HIS 75 Ca 0.27 0.67 0.00 0.00 0.47 0.00 0.00 55.06 56.48 1de1 s HIS 75 Cb 0.03 -3.88 -0.13 0.00 -0.13 0.00 0.00 32.58 28.46 1de1 s HIS 75 CO 0.17 -3.23 -0.19 -0.89 -2.47 0.00 0.00 174.74 168.12 1de1 n ILE 76 N 4.02 1.20 0.00 0.89 -0.00 -1.15 -4.88 119.36 119.44 1de1 n ILE 76 Ca 0.13 -0.45 0.00 0.00 -0.00 0.00 0.00 62.75 62.44 1de1 n ILE 76 Cb 0.39 -1.29 0.00 0.00 -0.00 0.00 0.00 39.64 38.74 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 2.42 0.69 0.00 7.39 0.00 -1.15 -4.49 105.19 110.04 1de1 n GLY 77 Ca -0.38 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.56 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 1.09 0.05 -0.02 0.00 -1.26 0.12 105.19 105.17 1de1 n GLY 78 Ca 0.00 -1.05 -0.02 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.10 -0.69 1.61 3.57 -1.90 -2.23 116.94 117.19 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 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.70 1de1 h PHE 79 CO 0.00 -0.06 0.32 0.22 -2.23 0.00 0.00 178.31 176.56 1de1 h ASP 80 N -0.23 0.39 -0.28 0.41 1.82 -1.97 0.18 116.42 116.75 1de1 h ASP 80 Ca -0.01 0.07 0.03 0.00 -0.39 0.00 0.00 57.03 56.73 1de1 h ASP 80 Cb 0.08 0.01 -0.03 0.00 0.68 0.00 0.00 39.33 40.07 1de1 h ASP 80 CO 0.02 0.22 0.08 1.56 -1.61 0.00 0.00 179.24 179.51 1de1 h GLN 81 N 0.54 0.19 -0.41 0.28 7.50 -1.90 -2.48 115.11 118.83 1de1 h GLN 81 Ca 0.35 -0.01 -0.08 0.00 0.50 0.00 0.00 58.65 59.40 1de1 h GLN 81 Cb 0.40 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.87 1de1 h GLN 81 CO -0.29 0.13 -0.07 1.25 -1.50 0.00 0.00 178.83 178.35 1de1 h LEU 82 N 0.20 0.77 -1.97 1.46 5.85 -0.71 -2.47 115.31 118.44 1de1 h LEU 82 Ca 0.12 -0.35 0.26 0.00 0.84 0.00 0.00 57.88 58.75 1de1 h LEU 82 Cb 0.11 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1de1 h LEU 82 CO -0.14 0.94 0.64 -0.09 -0.34 0.00 0.00 178.44 179.44 1de1 h ARG 83 N 0.59 0.02 -0.13 1.25 2.43 -0.36 1.31 114.38 119.49 1de1 h ARG 83 Ca 0.11 -0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.10 1de1 h ARG 83 Cb 0.58 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1de1 h ARG 83 CO 0.03 0.01 -0.66 0.93 -1.51 0.00 0.00 179.97 178.78 1de1 h GLU 84 N 0.02 0.49 -0.28 0.20 3.07 -1.00 0.83 114.58 117.91 1de1 h GLU 84 Ca 0.43 -0.36 -0.04 0.00 -0.50 0.00 0.00 59.36 58.88 1de1 h GLU 84 Cb 1.68 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 29.64 1de1 h GLU 84 CO -0.01 0.98 -0.02 -0.92 -1.40 0.00 0.00 179.01 177.64 1de1 h TYR 85 N 0.36 0.45 0.00 4.33 5.03 0.18 -2.52 116.97 124.79 1de1 h TYR 85 Ca -0.02 -0.04 -0.23 0.00 2.58 0.00 0.00 58.73 61.03 1de1 h TYR 85 Cb 1.22 -0.13 -0.04 0.00 1.55 0.00 0.00 36.73 39.33 1de1 h TYR 85 CO 0.05 0.46 -1.42 0.74 -1.32 0.00 0.00 178.16 176.67 1de1 h PHE 86 N 0.42 0.00 0.00 -3.82 0.04 -0.78 -3.51 116.94 109.28 1de1 h PHE 86 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1de1 h PHE 86 Cb 0.31 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1de1 h PHE 86 CO 0.01 0.83 0.00 1.17 -0.60 0.00 0.00 178.31 179.71