#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de2 n PHE 2 N 0.00 1.75 -3.15 1.12 3.72 -1.26 -3.88 117.46 115.76 1de2 n PHE 2 Ca 0.00 1.14 -0.39 0.00 -0.05 0.00 0.00 57.45 58.14 1de2 n PHE 2 Cb 0.00 -2.23 -0.06 0.00 -0.94 0.00 0.00 39.48 36.25 1de2 n PHE 2 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1de2 s LYS 3 N 3.07 4.29 0.06 -1.08 3.01 0.14 0.16 119.74 129.39 1de2 s LYS 3 Ca 1.05 0.63 0.04 0.00 -1.01 0.00 0.00 55.97 56.68 1de2 s LYS 3 Cb -1.50 -3.51 -0.04 0.00 -1.01 0.00 0.00 37.83 31.77 1de2 s LYS 3 CO 0.82 -0.07 -0.02 0.08 0.51 0.00 0.00 175.35 176.67 1de2 s VAL 4 N 1.34 3.94 -0.32 3.17 1.01 0.36 0.19 120.40 130.10 1de2 s VAL 4 Ca 0.30 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1de2 s VAL 4 Cb -0.16 -2.83 0.10 0.00 0.00 0.00 0.00 36.38 33.49 1de2 s VAL 4 CO 0.12 0.20 0.09 -0.31 0.00 0.00 0.00 175.10 175.20 1de2 s TYR 5 N -1.22 2.38 0.00 5.22 1.51 0.53 0.12 117.35 125.89 1de2 s TYR 5 Ca 0.23 -2.16 0.00 0.00 -1.01 0.00 0.00 57.07 54.13 1de2 s TYR 5 Cb -0.12 -2.11 0.00 0.00 -0.11 0.00 0.00 41.96 39.62 1de2 s TYR 5 CO 0.15 -0.90 0.00 0.41 -1.11 0.00 0.00 175.55 174.10 1de2 n GLY 6 N 4.63 3.76 3.03 0.71 0.00 -0.96 0.21 105.19 116.56 1de2 n GLY 6 Ca 0.00 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 0.55 3.17 -0.64 1.61 2.02 -1.26 -2.87 117.35 119.93 1de2 s TYR 7 Ca 0.00 -2.34 0.02 0.00 -0.37 0.00 0.00 57.07 54.38 1de2 s TYR 7 Cb 0.00 -2.04 0.38 0.00 -0.40 0.00 0.00 41.96 39.90 1de2 s TYR 7 CO 0.00 -0.87 1.51 -0.25 -1.57 0.00 0.00 175.55 174.37 1de2 n ASP 8 N 4.45 5.97 -0.98 2.29 9.92 -1.26 -4.69 116.55 132.25 1de2 n ASP 8 Ca -0.10 -3.77 0.00 0.00 -0.53 0.00 0.00 54.79 50.39 1de2 n ASP 8 Cb 0.42 -0.75 0.00 0.00 -0.64 0.00 0.00 41.12 40.16 1de2 n ASP 8 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1de2 n SER 9 N -0.47 0.00 -0.48 -2.24 7.64 -1.26 -5.01 113.62 111.80 1de2 n SER 9 Ca 0.45 -0.98 0.06 0.00 1.01 0.00 0.00 58.87 59.41 1de2 n SER 9 Cb 0.45 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.84 1de2 n SER 9 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1de2 n ASN 10 N -0.57 1.39 0.06 6.43 4.13 -1.26 -3.31 115.26 122.13 1de2 n ASN 10 Ca 0.00 -1.92 0.12 0.00 1.68 0.00 0.00 54.58 54.46 1de2 n ASN 10 Cb 0.00 -0.16 0.25 0.00 -1.54 0.00 0.00 39.78 38.33 1de2 n ASN 10 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 1de2 n ILE 11 N 0.23 0.34 -3.50 2.41 -5.35 -1.26 -4.91 119.36 107.31 1de2 n ILE 11 Ca 0.10 -0.23 -0.14 0.00 -0.27 0.00 0.00 62.75 62.22 1de2 n ILE 11 Cb 0.23 -0.19 -0.04 0.00 -1.74 0.00 0.00 39.64 37.90 1de2 n ILE 11 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1de2 s HIS 12 N -3.12 -0.53 0.86 4.28 5.04 -1.21 -4.30 115.29 116.30 1de2 s HIS 12 Ca 0.08 0.72 -0.13 0.00 -1.54 0.00 0.00 55.06 54.19 1de2 s HIS 12 Cb 0.14 0.47 0.11 0.00 0.04 0.00 0.00 32.58 33.35 1de2 s HIS 12 CO 0.68 -0.61 1.20 -1.59 -2.34 0.00 0.00 174.74 172.08 1de2 s LYS 13 N -2.06 1.54 -0.39 2.88 -2.85 -1.26 -4.47 119.74 113.13 1de2 s LYS 13 Ca -0.04 0.04 0.02 0.00 -1.00 0.00 0.00 55.97 55.00 1de2 s LYS 13 Cb -0.00 -1.91 0.18 0.00 -2.06 0.00 0.00 37.83 34.04 1de2 s LYS 13 CO 0.00 -1.88 0.77 0.00 0.10 0.00 0.00 175.35 174.34 1de2 n VAL 15 N 4.13 1.73 0.25 0.00 0.24 -1.26 -4.18 118.33 119.24 1de2 n VAL 15 Ca 0.10 -0.61 0.13 0.00 -2.04 0.00 0.00 64.34 61.92 1de2 n VAL 15 Cb 0.59 -1.72 0.65 0.00 -1.47 0.00 0.00 33.84 31.89 1de2 n VAL 15 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1de2 h TYR 16 N -0.01 0.00 -0.21 6.34 0.05 -1.96 -3.07 116.97 118.11 1de2 h TYR 16 Ca -0.44 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.32 1de2 h TYR 16 Cb 1.97 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.70 1de2 h TYR 16 CO 0.07 0.13 0.05 0.00 -1.05 0.00 0.00 178.16 177.37 1de2 h ASP 18 N 0.16 0.27 0.18 0.00 3.58 -1.72 0.28 116.42 119.17 1de2 h ASP 18 Ca 0.07 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1de2 h ASP 18 Cb 0.27 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.28 1de2 h ASP 18 CO 0.00 0.16 -0.08 0.78 -2.88 0.00 0.00 179.24 177.22 1de2 h ASN 19 N 0.30 -0.20 0.01 2.28 2.35 -1.56 -2.10 115.58 116.66 1de2 h ASN 19 Ca 0.25 -0.29 0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1de2 h ASN 19 Cb 0.61 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.01 1de2 h ASN 19 CO -0.06 0.35 -0.08 0.00 -1.65 0.00 0.00 177.43 176.00 1de2 h ALA 20 N -0.50 -0.09 -0.46 -0.83 0.00 -0.98 0.14 119.26 116.55 1de2 h ALA 20 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1de2 h ALA 20 Cb 0.48 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1de2 h ALA 20 CO 0.04 -0.57 0.14 -0.22 0.00 0.00 0.00 179.25 178.63 1de2 h LYS 21 N -0.14 0.28 -0.86 0.00 3.64 -0.57 -0.19 116.57 118.72 1de2 h LYS 21 Ca 0.03 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1de2 h LYS 21 Cb 0.17 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 1de2 h LYS 21 CO -0.07 0.19 0.47 -0.09 -2.27 0.00 0.00 179.45 177.68 1de2 h ARG 22 N 0.29 1.20 0.12 1.90 9.65 -1.03 0.19 114.38 126.71 1de2 h ARG 22 Ca 0.22 -0.14 0.01 0.00 -1.10 0.00 0.00 59.98 58.98 1de2 h ARG 22 Cb 0.25 -0.24 -0.03 0.00 -1.39 0.00 0.00 29.97 28.57 1de2 h ARG 22 CO -0.25 0.88 -0.20 1.25 2.80 0.00 0.00 179.97 184.45 1de2 h LEU 23 N 1.20 -0.57 -0.56 3.80 6.46 0.55 0.25 115.31 126.44 1de2 h LEU 23 Ca 0.30 0.06 0.01 0.00 -0.12 0.00 0.00 57.88 58.14 1de2 h LEU 23 Cb 0.03 0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.14 1de2 h LEU 23 CO -0.05 -0.29 0.36 -0.07 -0.62 0.00 0.00 178.44 177.77 1de2 h LEU 24 N -0.39 0.61 -0.93 2.25 3.38 -0.79 0.91 115.31 120.36 1de2 h LEU 24 Ca 0.02 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1de2 h LEU 24 Cb 0.41 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 1de2 h LEU 24 CO -0.11 0.44 0.60 0.74 0.09 0.00 0.00 178.44 180.20 1de2 h THR 25 N 0.73 1.09 -0.01 0.22 2.02 -0.48 0.30 112.91 116.77 1de2 h THR 25 Ca 0.21 -0.38 -0.19 0.00 0.77 0.00 0.00 66.41 66.82 1de2 h THR 25 Cb -0.05 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.24 1de2 h THR 25 CO -0.06 0.20 -0.84 0.58 0.37 0.00 0.00 175.52 175.77 1de2 h VAL 26 N 1.11 1.46 0.00 3.16 2.07 0.35 -2.98 116.25 121.42 1de2 h VAL 26 Ca 0.39 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.44 1de2 h VAL 26 Cb 0.12 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1de2 h VAL 26 CO -0.16 0.73 0.00 0.29 0.02 0.00 0.00 177.57 178.45 1de2 n LYS 27 N -3.71 0.10 -3.00 1.57 4.76 0.31 -4.91 118.16 113.28 1de2 n LYS 27 Ca -0.04 0.20 -0.12 0.00 -2.87 0.00 0.00 58.31 55.48 1de2 n LYS 27 Cb 0.78 -1.65 0.04 0.00 -1.84 0.00 0.00 35.03 32.36 1de2 n LYS 27 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1de2 n LYS 28 N -1.84 -3.97 -3.84 1.97 4.76 0.93 -5.03 118.16 111.15 1de2 n LYS 28 Ca 0.05 0.43 -0.26 0.00 -2.87 0.00 0.00 58.31 55.66 1de2 n LYS 28 Cb 0.30 -4.23 -0.17 0.00 -1.84 0.00 0.00 35.03 29.09 1de2 n LYS 28 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1de2 s GLN 29 N -5.50 1.08 0.88 1.97 1.11 -0.48 -5.04 119.66 113.68 1de2 s GLN 29 Ca 0.25 -0.19 -0.12 0.00 0.01 0.00 0.00 55.36 55.31 1de2 s GLN 29 Cb -0.11 -1.50 0.19 0.00 -1.01 0.00 0.00 33.01 30.58 1de2 s GLN 29 CO 0.37 -0.35 0.43 -2.30 0.01 0.00 0.00 175.29 173.45 1de2 n PRO 30 N 5.02 -1.91 -3.79 2.91 -0.02 -1.26 -4.45 135.00 131.50 1de2 n PRO 30 Ca -0.10 -0.72 -0.04 0.00 -2.02 0.00 0.00 63.50 60.62 1de2 n PRO 30 Cb 0.49 -1.24 -0.01 0.00 -0.02 0.00 0.00 33.50 32.72 1de2 n PRO 30 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1de2 s PHE 31 N -1.76 -0.12 -0.06 6.00 -0.71 -1.26 -4.39 117.98 115.67 1de2 s PHE 31 Ca 0.33 -0.24 -0.03 0.00 -1.04 0.00 0.00 56.93 55.95 1de2 s PHE 31 Cb -0.06 0.67 0.04 0.00 -1.21 0.00 0.00 43.02 42.46 1de2 s PHE 31 CO 0.28 -0.96 0.11 -2.00 -1.34 0.00 0.00 175.22 171.30 1de2 s GLU 32 N -3.33 -0.02 0.49 1.99 2.12 0.41 -4.74 118.70 115.62 1de2 s GLU 32 Ca 0.13 0.45 -0.00 0.00 0.36 0.00 0.00 54.97 55.90 1de2 s GLU 32 Cb -0.03 -0.38 0.01 0.00 0.26 0.00 0.00 34.13 33.99 1de2 s GLU 32 CO 0.04 -0.30 0.73 0.12 -0.54 0.00 0.00 175.26 175.30 1de2 s PHE 33 N 2.12 3.13 -0.16 5.30 5.36 -1.26 0.14 117.98 132.61 1de2 s PHE 33 Ca 0.03 0.22 -0.08 0.00 -0.96 0.00 0.00 56.93 56.14 1de2 s PHE 33 Cb -0.12 -2.48 0.06 0.00 -0.34 0.00 0.00 43.02 40.14 1de2 s PHE 33 CO -0.04 -0.55 0.38 0.42 -1.46 0.00 0.00 175.22 173.97 1de2 s ILE 34 N -2.66 -0.13 -0.12 3.12 1.01 0.33 -4.65 121.20 118.09 1de2 s ILE 34 Ca 0.51 0.12 -0.26 0.00 0.00 0.00 0.00 60.65 61.03 1de2 s ILE 34 Cb -0.10 -0.58 -0.02 0.00 0.01 0.00 0.00 42.46 41.77 1de2 s ILE 34 CO 0.39 0.05 0.83 0.20 0.00 0.00 0.00 174.94 176.41 1de2 s ASN 35 N 1.60 7.03 -0.11 3.58 -0.87 -1.26 -2.27 114.94 122.64 1de2 s ASN 35 Ca -0.08 1.26 0.19 0.00 -1.57 0.00 0.00 52.86 52.66 1de2 s ASN 35 Cb -0.09 -2.46 -0.28 0.00 -0.02 0.00 0.00 41.25 38.39 1de2 s ASN 35 CO -0.12 -0.32 0.26 2.30 -2.57 0.00 0.00 177.10 176.65 1de2 n ILE 36 N 4.41 0.68 -3.68 0.60 -5.35 -1.14 -4.83 119.36 110.05 1de2 n ILE 36 Ca 0.04 -0.66 -0.39 0.00 -0.27 0.00 0.00 62.75 61.47 1de2 n ILE 36 Cb 0.50 -0.24 -0.11 0.00 -1.74 0.00 0.00 39.64 38.05 1de2 n ILE 36 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 1de2 s MET 37 N -2.95 2.49 0.40 6.28 1.75 -1.26 0.41 119.30 126.42 1de2 s MET 37 Ca -0.09 -1.46 0.14 0.00 -1.25 0.00 0.00 55.69 53.03 1de2 s MET 37 Cb 0.10 -3.65 0.85 0.00 2.84 0.00 0.00 34.83 34.97 1de2 s MET 37 CO 0.84 -0.90 1.89 -1.00 -0.65 0.00 0.00 175.02 175.19 1de2 h PRO 38 N 8.28 0.00 -3.66 4.11 0.13 -1.86 -3.44 132.00 135.56 1de2 h PRO 38 Ca -0.21 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.81 1de2 h PRO 38 Cb 1.07 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.04 1de2 h PRO 38 CO 0.71 0.29 -0.41 -2.00 -0.23 0.00 0.00 178.00 176.36 1de2 s GLU 39 N -4.33 0.70 0.00 0.86 2.12 -1.26 -5.01 118.70 111.78 1de2 s GLU 39 Ca -0.03 -0.73 0.06 0.00 0.36 0.00 0.00 54.97 54.63 1de2 s GLU 39 Cb 0.15 0.29 0.29 0.00 0.26 0.00 0.00 34.13 35.12 1de2 s GLU 39 CO 0.71 -0.20 1.07 0.36 -0.54 0.00 0.00 175.26 176.65 1de2 n LYS 40 N 0.54 0.07 -0.07 4.30 2.85 -1.26 -2.94 118.16 121.65 1de2 n LYS 40 Ca -0.18 0.26 -0.09 0.00 -1.05 0.00 0.00 58.31 57.26 1de2 n LYS 40 Cb 0.60 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.41 1de2 n LYS 40 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1de2 h GLY 41 N 1.00 0.00 -5.56 2.58 0.00 -1.95 -3.49 103.07 95.65 1de2 h GLY 41 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1de2 h GLY 41 CO 0.00 0.00 -0.39 0.14 0.00 0.00 0.00 176.54 176.29 1de2 s VAL 42 N -2.01 -0.01 1.17 4.60 1.01 -1.15 -5.16 120.40 118.85 1de2 s VAL 42 Ca -0.13 0.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 1de2 s VAL 42 Cb 0.00 -0.43 0.29 0.00 0.00 0.00 0.00 36.38 36.24 1de2 s VAL 42 CO 0.34 0.02 1.01 0.49 0.00 0.00 0.00 175.10 176.96 1de2 n PHE 43 N 3.47 -1.20 -3.17 5.22 3.72 -1.26 -4.00 117.46 120.24 1de2 n PHE 43 Ca -0.18 -0.13 -0.39 0.00 -0.05 0.00 0.00 57.45 56.70 1de2 n PHE 43 Cb 0.56 -1.71 -0.05 0.00 -0.94 0.00 0.00 39.48 37.34 1de2 n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1de2 s ASP 44 N -2.40 6.84 0.33 4.37 1.01 0.17 -4.75 116.67 122.23 1de2 s ASP 44 Ca 0.68 1.01 0.03 0.00 0.71 0.00 0.00 52.55 54.98 1de2 s ASP 44 Cb -0.25 -2.35 0.57 0.00 1.01 0.00 0.00 42.92 41.90 1de2 s ASP 44 CO 0.65 -0.07 1.88 -2.24 0.21 0.00 0.00 175.17 175.60 1de2 h ASP 45 N 6.77 0.57 0.06 0.27 2.03 -1.93 0.26 116.42 124.46 1de2 h ASP 45 Ca -0.41 -0.09 -0.00 0.00 -0.73 0.00 0.00 57.03 55.80 1de2 h ASP 45 Cb 1.19 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.54 1de2 h ASP 45 CO 0.76 0.59 -0.03 -0.08 -1.03 0.00 0.00 179.24 179.45 1de2 h GLU 46 N 0.60 -0.08 -0.42 4.15 4.81 -1.96 0.19 114.58 121.87 1de2 h GLU 46 Ca 0.14 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.25 1de2 h GLU 46 Cb 0.27 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1de2 h GLU 46 CO 0.00 0.25 -0.20 0.87 -0.73 0.00 0.00 179.01 179.20 1de2 h LYS 47 N -0.42 0.87 -0.31 1.92 1.79 -1.85 -1.57 116.57 117.02 1de2 h LYS 47 Ca -0.01 -0.38 -0.09 0.00 -2.18 0.00 0.00 60.65 57.99 1de2 h LYS 47 Cb 0.37 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 1de2 h LYS 47 CO 0.01 1.02 -0.18 0.82 -1.08 0.00 0.00 179.45 180.05 1de2 h ILE 48 N 0.69 1.25 0.41 1.86 5.03 -0.50 -1.97 117.51 124.28 1de2 h ILE 48 Ca 0.09 -1.17 -0.02 0.00 -0.12 0.00 0.00 64.86 63.64 1de2 h ILE 48 Cb 0.76 1.22 0.00 0.00 -3.03 0.00 0.00 36.82 35.78 1de2 h ILE 48 CO 0.06 0.38 -0.19 0.00 -0.68 0.00 0.00 178.15 177.72 1de2 h ALA 49 N 1.30 -0.54 -0.39 1.87 0.00 -0.49 -2.97 119.26 118.04 1de2 h ALA 49 Ca 0.08 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.94 1de2 h ALA 49 Cb 0.60 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1de2 h ALA 49 CO 0.04 -0.56 0.29 1.05 0.00 0.00 0.00 179.25 180.08 1de2 h GLU 50 N -1.04 0.00 0.84 0.00 4.11 -1.32 -2.42 114.58 114.74 1de2 h GLU 50 Ca -0.06 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.33 1de2 h GLU 50 Cb 0.52 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.78 1de2 h GLU 50 CO 0.09 0.00 -0.40 1.25 0.07 0.00 0.00 179.01 180.02 1de2 h LEU 51 N 0.00 -0.95 -1.43 3.06 5.85 -1.34 -2.02 115.31 118.48 1de2 h LEU 51 Ca 0.19 0.03 0.34 0.00 0.84 0.00 0.00 57.88 59.28 1de2 h LEU 51 Cb 0.76 0.25 -0.10 0.00 0.37 0.00 0.00 40.66 41.94 1de2 h LEU 51 CO -0.00 -0.65 0.75 -0.07 -0.34 0.00 0.00 178.44 178.13 1de2 h LEU 52 N -1.19 0.33 -0.79 2.25 3.38 -1.28 0.86 115.31 118.87 1de2 h LEU 52 Ca -0.11 0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1de2 h LEU 52 Cb 0.86 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1de2 h LEU 52 CO 0.19 -0.02 -0.41 0.74 0.09 0.00 0.00 178.44 179.03 1de2 h THR 53 N 0.25 1.31 -0.31 0.22 2.02 -1.26 -3.11 112.91 112.02 1de2 h THR 53 Ca 0.68 -1.56 -0.09 0.00 0.77 0.00 0.00 66.41 66.21 1de2 h THR 53 Cb 1.97 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 70.00 1de2 h THR 53 CO -0.32 0.48 -0.15 0.11 0.37 0.00 0.00 175.52 176.01 1de2 h LYS 54 N 0.34 0.65 -0.00 6.66 1.57 0.15 -2.74 116.57 123.20 1de2 h LYS 54 Ca 0.03 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1de2 h LYS 54 Cb 0.87 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 1de2 h LYS 54 CO 0.07 0.87 0.07 -0.07 -0.57 0.00 0.00 179.45 179.83 1de2 h LEU 55 N 0.41 0.00 0.00 2.94 4.07 -1.30 -3.37 115.31 118.07 1de2 h LEU 55 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1de2 h LEU 55 Cb 0.68 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.42 1de2 h LEU 55 CO 0.05 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.02 1de2 n GLY 56 N -1.12 2.83 1.92 0.83 0.00 -1.03 -4.82 105.19 103.80 1de2 n GLY 56 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 1de2 n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1de2 n ARG 57 N -0.11 0.07 -0.06 1.61 5.12 -1.25 -5.00 116.66 117.04 1de2 n ARG 57 Ca 0.00 -1.28 -0.07 0.00 -1.93 0.00 0.00 57.85 54.57 1de2 n ARG 57 Cb 0.00 -0.40 -0.09 0.00 -1.16 0.00 0.00 32.46 30.81 1de2 n ARG 57 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1de2 n ASP 58 N -3.05 2.24 -4.82 0.55 5.68 -1.26 -4.48 116.55 111.41 1de2 n ASP 58 Ca 0.08 -0.01 -0.22 0.00 -0.50 0.00 0.00 54.79 54.13 1de2 n ASP 58 Cb 0.29 0.60 -0.05 0.00 -1.14 0.00 0.00 41.12 40.83 1de2 n ASP 58 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1de2 s THR 59 N -2.29 2.51 -0.41 2.12 -1.32 -1.26 -5.01 115.64 109.99 1de2 s THR 59 Ca -0.08 -1.49 -0.03 0.00 -1.21 0.00 0.00 61.69 58.87 1de2 s THR 59 Cb 0.04 -3.00 0.11 0.00 -1.51 0.00 0.00 72.50 68.14 1de2 s THR 59 CO 0.46 -0.00 0.21 0.00 -2.21 0.00 0.00 174.62 173.08 1de2 s GLN 60 N -4.03 2.02 -1.16 7.08 -2.07 -1.26 -5.03 119.66 115.21 1de2 s GLN 60 Ca 0.45 -1.82 -0.21 0.00 -1.82 0.00 0.00 55.36 51.95 1de2 s GLN 60 Cb -0.00 -3.60 -0.01 0.00 -1.09 0.00 0.00 33.01 28.31 1de2 s GLN 60 CO 0.26 -1.08 1.81 0.96 -1.32 0.00 0.00 175.29 175.91 1de2 s ILE 61 N 1.14 3.78 -1.92 3.63 -0.00 -1.26 -3.97 121.20 122.59 1de2 s ILE 61 Ca 0.08 -1.17 0.00 0.00 -0.00 0.00 0.00 60.65 59.57 1de2 s ILE 61 Cb -0.23 -4.77 0.00 0.00 -0.00 0.00 0.00 42.46 37.46 1de2 s ILE 61 CO -0.04 -1.46 0.00 0.61 -0.00 0.00 0.00 174.94 174.05 1de2 n GLY 62 N 5.95 0.97 3.77 6.27 0.00 -1.26 -4.92 105.19 115.97 1de2 n GLY 62 Ca 0.44 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.06 1de2 n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1de2 s LEU 63 N -5.11 4.33 0.29 0.99 2.01 -1.25 -5.03 118.68 114.92 1de2 s LEU 63 Ca 0.00 2.78 0.02 0.00 0.01 0.00 0.00 54.13 56.94 1de2 s LEU 63 Cb 0.00 -3.73 -0.05 0.00 0.01 0.00 0.00 46.19 42.42 1de2 s LEU 63 CO 0.00 -0.72 0.09 0.42 1.01 0.00 0.00 176.35 177.15 1de2 s THR 64 N -1.17 0.78 0.17 5.49 -4.23 -1.26 -5.09 115.64 110.33 1de2 s THR 64 Ca 0.52 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.08 1de2 s THR 64 Cb -0.41 -2.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.72 1de2 s THR 64 CO 0.55 0.00 0.19 -0.04 -0.54 0.00 0.00 174.62 174.77 1de2 s MET 65 N -3.95 3.05 0.10 3.99 -1.94 -1.26 -3.85 119.30 115.44 1de2 s MET 65 Ca 0.37 -0.81 -0.28 0.00 -1.71 0.00 0.00 55.69 53.26 1de2 s MET 65 Cb 0.08 -2.73 -0.06 0.00 2.01 0.00 0.00 34.83 34.13 1de2 s MET 65 CO 0.15 0.49 0.87 -2.14 -0.01 0.00 0.00 175.02 174.37 1de2 s PRO 66 N -3.22 4.63 -0.15 2.03 0.02 -1.26 -5.04 135.00 132.01 1de2 s PRO 66 Ca 0.32 1.28 -0.17 0.00 0.02 0.00 0.00 61.00 62.45 1de2 s PRO 66 Cb -0.10 -3.35 -0.04 0.00 0.02 0.00 0.00 34.50 31.03 1de2 s PRO 66 CO 0.25 0.30 0.44 -0.65 -0.33 0.00 0.00 177.00 177.01 1de2 s GLN 67 N -0.23 4.28 0.20 5.54 -0.21 0.13 -4.36 119.66 125.00 1de2 s GLN 67 Ca 0.42 0.34 0.05 0.00 0.02 0.00 0.00 55.36 56.19 1de2 s GLN 67 Cb -0.22 -3.47 -0.03 0.00 1.00 0.00 0.00 33.01 30.28 1de2 s GLN 67 CO 0.27 0.09 0.24 0.08 -2.12 0.00 0.00 175.29 173.85 1de2 s VAL 68 N 0.86 4.88 -0.01 1.09 1.01 0.33 0.20 120.40 128.76 1de2 s VAL 68 Ca 0.23 -1.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 1de2 s VAL 68 Cb -0.15 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 1de2 s VAL 68 CO 0.09 -0.20 0.09 -0.36 0.00 0.00 0.00 175.10 174.71 1de2 s PHE 69 N -1.88 0.05 0.37 5.22 0.40 0.50 -2.74 117.98 119.91 1de2 s PHE 69 Ca 0.33 -0.11 -0.27 0.00 -0.60 0.00 0.00 56.93 56.27 1de2 s PHE 69 Cb -0.10 -0.06 -0.11 0.00 0.51 0.00 0.00 43.02 43.26 1de2 s PHE 69 CO 0.26 -0.20 1.29 0.00 0.70 0.00 0.00 175.22 177.27 1de2 n ALA 70 N 1.92 1.32 -0.64 5.36 0.00 0.21 0.24 120.51 128.93 1de2 n ALA 70 Ca -0.20 0.33 0.49 0.00 0.00 0.00 0.00 53.44 54.06 1de2 n ALA 70 Cb 0.56 -2.26 0.78 0.00 0.00 0.00 0.00 19.45 18.53 1de2 n ALA 70 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1de2 n PRO 71 N 0.38 -0.01 -1.35 0.00 -0.02 -1.26 -2.87 135.00 129.87 1de2 n PRO 71 Ca 0.05 1.14 -0.03 0.00 -2.02 0.00 0.00 63.50 62.64 1de2 n PRO 71 Cb 0.37 -2.49 0.01 0.00 -0.02 0.00 0.00 33.50 31.37 1de2 n PRO 71 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1de2 n ASP 72 N -4.18 -0.69 0.00 2.55 8.00 -1.26 -4.25 116.55 116.72 1de2 n ASP 72 Ca 0.43 -1.38 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1de2 n ASP 72 Cb 1.88 0.27 0.00 0.00 -0.02 0.00 0.00 41.12 43.24 1de2 n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1de2 n GLY 73 N -0.37 1.49 3.39 0.44 0.00 -1.14 -5.17 105.19 103.83 1de2 n GLY 73 Ca -0.14 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 1de2 n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1de2 s SER 74 N 1.00 1.95 0.19 1.61 0.15 -1.26 -4.81 113.70 112.53 1de2 s SER 74 Ca 0.00 -1.59 -0.32 0.00 0.70 0.00 0.00 55.95 54.74 1de2 s SER 74 Cb 0.00 0.40 -0.12 0.00 -1.71 0.00 0.00 66.02 64.59 1de2 s SER 74 CO 0.00 -0.89 1.73 1.57 1.20 0.00 0.00 173.24 176.84 1de2 n HIS 75 N -0.68 2.68 -0.12 3.44 -0.00 -1.26 -0.62 115.22 118.66 1de2 n HIS 75 Ca -0.01 0.04 -0.18 0.00 0.46 0.00 0.00 57.72 58.02 1de2 n HIS 75 Cb 0.65 -2.67 -0.10 0.00 -0.12 0.00 0.00 29.99 27.74 1de2 n HIS 75 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1de2 n ILE 76 N 4.02 1.34 0.00 3.57 5.41 -1.11 -4.85 119.36 127.74 1de2 n ILE 76 Ca 0.16 -0.48 0.00 0.00 1.00 0.00 0.00 62.75 63.44 1de2 n ILE 76 Cb 0.34 -1.43 0.00 0.00 -0.71 0.00 0.00 39.64 37.84 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 2.18 0.69 0.00 7.39 0.00 -1.18 -4.45 105.19 109.82 1de2 n GLY 77 Ca -0.43 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 43.78 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 1.86 0.00 -0.02 0.00 -1.26 0.12 105.19 105.89 1de2 n GLY 78 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.03 1.61 7.35 -1.26 -1.54 117.46 123.59 1de2 n PHE 79 Ca 0.00 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.59 1de2 n PHE 79 Cb 0.00 -0.47 -0.03 0.00 0.35 0.00 0.00 39.48 39.33 1de2 n PHE 79 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1de2 h ASP 80 N 0.00 0.09 -0.86 -2.13 1.82 -1.98 0.73 116.42 114.10 1de2 h ASP 80 Ca 0.00 0.01 0.15 0.00 -0.39 0.00 0.00 57.03 56.81 1de2 h ASP 80 Cb 0.00 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 39.91 1de2 h ASP 80 CO 0.00 0.08 0.43 -0.61 -1.61 0.00 0.00 179.24 177.53 1de2 h GLN 81 N 0.16 0.58 0.00 0.28 4.15 -1.92 0.59 115.11 118.95 1de2 h GLN 81 Ca 0.08 -0.04 -0.18 0.00 0.77 0.00 0.00 58.65 59.28 1de2 h GLN 81 Cb 0.04 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 1de2 h GLN 81 CO -0.07 0.39 -0.86 1.25 -1.93 0.00 0.00 178.83 177.60 1de2 h LEU 82 N 0.60 0.00 -1.74 -2.39 6.46 -0.64 -3.20 115.31 114.40 1de2 h LEU 82 Ca 0.47 0.00 0.23 0.00 -0.12 0.00 0.00 57.88 58.47 1de2 h LEU 82 Cb 0.70 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.58 1de2 h LEU 82 CO -0.38 0.86 0.62 -0.09 -0.62 0.00 0.00 178.44 178.83 1de2 h ARG 83 N 0.00 0.20 -0.37 1.25 2.43 0.28 1.50 114.38 119.67 1de2 h ARG 83 Ca -0.01 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 1de2 h ARG 83 Cb 1.65 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 31.14 1de2 h ARG 83 CO 0.11 0.13 -0.04 0.93 -1.51 0.00 0.00 179.97 179.59 1de2 h GLU 84 N 0.20 0.60 -0.33 0.20 4.39 -1.48 1.02 114.58 119.18 1de2 h GLU 84 Ca 0.45 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.96 1de2 h GLU 84 Cb 1.45 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 30.01 1de2 h GLU 84 CO -0.10 0.65 0.04 -0.92 -1.16 0.00 0.00 179.01 177.52 1de2 h TYR 85 N 0.56 0.50 0.00 4.33 5.03 0.19 -2.00 116.97 125.58 1de2 h TYR 85 Ca 0.11 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.39 1de2 h TYR 85 Cb 0.43 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.56 1de2 h TYR 85 CO 0.02 0.47 -0.81 1.19 -1.32 0.00 0.00 178.16 177.70 1de2 n PHE 86 N -4.32 0.16 -0.47 -3.82 3.72 -0.51 -5.14 117.46 107.08 1de2 n PHE 86 Ca 0.02 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1de2 n PHE 86 Cb 0.21 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 1de2 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34