#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 1.15 -3.18 1.12 3.72 -1.25 -3.68 117.46 115.35 1de2 n PHE 2 Ca 0.00 0.76 -0.39 0.00 -0.05 0.00 0.00 57.45 57.77 1de2 n PHE 2 Cb 0.00 -2.26 -0.06 0.00 -0.94 0.00 0.00 39.48 36.22 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 5.92 4.30 -0.34 -1.08 3.01 0.12 0.80 119.74 132.47 1de2 s LYS 3 Ca 1.19 0.60 -0.09 0.00 -1.01 0.00 0.00 55.97 56.66 1de2 s LYS 3 Cb -1.48 -3.50 0.02 0.00 -1.01 0.00 0.00 37.83 31.85 1de2 s LYS 3 CO 0.65 -0.04 0.14 0.08 0.51 0.00 0.00 175.35 176.70 1de2 s VAL 4 N 1.24 4.27 -0.67 3.17 1.01 0.12 0.62 120.40 130.16 1de2 s VAL 4 Ca 0.29 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 1de2 s VAL 4 Cb -0.16 -3.31 0.08 0.00 0.00 0.00 0.00 36.38 33.00 1de2 s VAL 4 CO 0.12 -0.09 0.92 -0.31 0.00 0.00 0.00 175.10 175.74 1de2 s TYR 5 N 1.52 2.79 0.00 5.22 2.02 0.27 -1.80 117.35 127.37 1de2 s TYR 5 Ca 0.02 -0.73 0.00 0.00 -0.37 0.00 0.00 57.07 55.99 1de2 s TYR 5 Cb -0.18 -4.23 0.00 0.00 -0.40 0.00 0.00 41.96 37.15 1de2 s TYR 5 CO 0.05 -1.55 0.00 0.41 -1.57 0.00 0.00 175.55 172.88 1de2 n GLY 6 N 5.33 3.45 3.40 0.71 0.00 -0.99 0.11 105.19 117.20 1de2 n GLY 6 Ca -0.02 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.27 2.47 0.00 1.61 1.51 -1.26 0.40 117.35 121.81 1de2 s TYR 7 Ca 0.00 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 55.74 1de2 s TYR 7 Cb 0.00 -1.47 0.00 0.00 -0.11 0.00 0.00 41.96 40.38 1de2 s TYR 7 CO 0.00 0.16 0.49 -3.47 -1.11 0.00 0.00 175.55 171.62 1de2 n ASP 8 N 1.85 0.00 0.00 2.29 2.03 -1.26 -4.82 116.55 116.64 1de2 n ASP 8 Ca -0.16 0.53 0.00 0.00 0.52 0.00 0.00 54.79 55.67 1de2 n ASP 8 Cb 0.52 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 1de2 n ASP 8 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1de2 n SER 9 N -0.95 0.00 0.08 1.67 7.64 -1.21 -4.86 113.62 115.99 1de2 n SER 9 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 1de2 n SER 9 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1de2 n SER 9 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1de2 h ASN 10 N 0.00 0.00 0.06 6.43 -0.73 -2.01 -3.36 115.58 115.98 1de2 h ASN 10 Ca 0.00 0.00 -0.29 0.00 1.87 0.00 0.00 56.30 57.88 1de2 h ASN 10 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 1de2 h ASN 10 CO 0.00 0.79 -1.60 0.40 -0.37 0.00 0.00 177.43 176.65 1de2 h ILE 11 N 0.00 0.79 -3.98 2.57 5.03 -1.93 -3.49 117.51 116.50 1de2 h ILE 11 Ca -0.04 -2.26 -0.10 0.00 -0.12 0.00 0.00 64.86 62.34 1de2 h ILE 11 Cb 1.64 2.37 -0.15 0.00 -3.03 0.00 0.00 36.82 37.65 1de2 h ILE 11 CO 0.10 0.59 -0.51 -2.28 -0.68 0.00 0.00 178.15 175.37 1de2 s HIS 12 N -2.46 0.30 0.42 1.37 2.46 -1.26 -4.87 115.29 111.26 1de2 s HIS 12 Ca -0.25 -0.77 -0.21 0.00 0.47 0.00 0.00 55.06 54.29 1de2 s HIS 12 Cb 0.06 -0.20 -0.11 0.00 -0.13 0.00 0.00 32.58 32.20 1de2 s HIS 12 CO 0.68 -0.46 0.94 -1.59 -2.47 0.00 0.00 174.74 171.84 1de2 s LYS 13 N -3.79 4.23 -0.36 2.88 -2.85 -1.26 -3.31 119.74 115.27 1de2 s LYS 13 Ca 0.05 1.10 0.06 0.00 -1.00 0.00 0.00 55.97 56.19 1de2 s LYS 13 Cb 0.06 -2.20 0.18 0.00 -2.06 0.00 0.00 37.83 33.81 1de2 s LYS 13 CO -0.10 -0.02 0.56 0.00 0.10 0.00 0.00 175.35 175.89 1de2 h VAL 15 N 5.37 1.48 0.00 0.00 -1.51 -1.98 -3.29 116.25 116.32 1de2 h VAL 15 Ca 0.02 -3.17 -0.06 0.00 -1.23 0.00 0.00 66.70 62.26 1de2 h VAL 15 Cb 1.16 2.80 -0.01 0.00 -2.13 0.00 0.00 31.29 33.10 1de2 h VAL 15 CO 0.15 0.87 -0.30 1.88 -1.23 0.00 0.00 177.57 178.94 1de2 h TYR 16 N 0.02 0.00 -0.37 5.19 -1.99 -1.95 -2.99 116.97 114.88 1de2 h TYR 16 Ca -0.10 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.60 1de2 h TYR 16 Cb 1.88 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.59 1de2 h TYR 16 CO 0.02 0.30 0.14 0.00 -0.00 0.00 0.00 178.16 178.62 1de2 h ASP 18 N 0.45 0.46 0.33 0.00 5.19 -1.66 0.25 116.42 121.44 1de2 h ASP 18 Ca 0.12 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.58 1de2 h ASP 18 Cb 0.21 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.71 1de2 h ASP 18 CO -0.01 0.15 -0.16 0.78 -3.12 0.00 0.00 179.24 176.88 1de2 h ASN 19 N 0.44 -0.38 -0.24 6.45 2.35 -1.57 -2.84 115.58 119.79 1de2 h ASN 19 Ca 0.53 -0.15 0.07 0.00 -0.55 0.00 0.00 56.30 56.20 1de2 h ASN 19 Cb 1.28 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.74 1de2 h ASN 19 CO -0.24 0.08 0.19 0.00 -1.65 0.00 0.00 177.43 175.80 1de2 h ALA 20 N -0.66 2.14 -0.40 -0.83 0.00 -1.09 -0.66 119.26 117.75 1de2 h ALA 20 Ca -0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1de2 h ALA 20 Cb 0.51 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1de2 h ALA 20 CO 0.07 -0.31 0.08 -0.22 0.00 0.00 0.00 179.25 178.88 1de2 h LYS 21 N 0.00 0.65 -0.49 0.00 3.64 -0.51 -0.28 116.57 119.58 1de2 h LYS 21 Ca 0.11 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1de2 h LYS 21 Cb 0.49 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1de2 h LYS 21 CO -0.00 0.68 0.13 -0.09 -2.27 0.00 0.00 179.45 177.90 1de2 h ARG 22 N 0.51 0.74 0.75 1.90 9.65 -0.90 0.39 114.38 127.42 1de2 h ARG 22 Ca 0.12 -0.14 -0.04 0.00 -1.10 0.00 0.00 59.98 58.83 1de2 h ARG 22 Cb 0.33 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.80 1de2 h ARG 22 CO 0.00 0.66 -0.40 1.25 2.80 0.00 0.00 179.97 184.28 1de2 h LEU 23 N 0.72 -0.98 0.33 3.80 5.85 -0.78 0.22 115.31 124.46 1de2 h LEU 23 Ca 0.16 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1de2 h LEU 23 Cb 0.25 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1de2 h LEU 23 CO -0.00 -0.65 -0.16 -0.07 -0.34 0.00 0.00 178.44 177.21 1de2 h LEU 24 N -1.06 -0.37 -1.26 2.25 3.38 -0.92 -0.62 115.31 116.70 1de2 h LEU 24 Ca -0.10 -0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.02 1de2 h LEU 24 Cb 0.83 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.60 1de2 h LEU 24 CO 0.14 -0.22 0.60 0.74 0.09 0.00 0.00 178.44 179.79 1de2 h THR 25 N -0.49 0.75 0.00 0.22 2.02 -0.24 0.26 112.91 115.44 1de2 h THR 25 Ca -0.04 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1de2 h THR 25 Cb 0.37 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1de2 h THR 25 CO 0.07 0.12 0.00 0.58 0.37 0.00 0.00 175.52 176.66 1de2 h VAL 26 N 0.64 0.00 0.00 3.16 2.07 -0.24 -3.27 116.25 118.61 1de2 h VAL 26 Ca 0.50 -0.77 -0.28 0.00 0.82 0.00 0.00 66.70 66.96 1de2 h VAL 26 Cb 0.90 1.77 -0.05 0.00 -1.52 0.00 0.00 31.29 32.40 1de2 h VAL 26 CO -0.25 0.00 -1.64 0.11 0.02 0.00 0.00 177.57 175.81 1de2 h LYS 27 N 0.00 0.01 -3.44 1.57 1.79 0.10 -3.50 116.57 113.11 1de2 h LYS 27 Ca 0.00 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1de2 h LYS 27 Cb 0.88 0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.54 1de2 h LYS 27 CO 0.00 0.57 -0.03 1.17 -1.08 0.00 0.00 179.45 180.08 1de2 n LYS 28 N -3.10 -0.28 -3.70 3.15 3.00 -0.08 -5.09 118.16 112.07 1de2 n LYS 28 Ca -0.15 0.58 -0.11 0.00 -0.00 0.00 0.00 58.31 58.62 1de2 n LYS 28 Cb 1.04 -2.29 -0.11 0.00 0.00 0.00 0.00 35.03 33.67 1de2 n LYS 28 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1de2 s GLN 29 N -3.05 0.34 1.07 1.64 0.00 -1.25 -5.11 119.66 113.29 1de2 s GLN 29 Ca 0.02 0.72 -0.19 0.00 -0.00 0.00 0.00 55.36 55.91 1de2 s GLN 29 Cb -0.00 -0.05 0.03 0.00 0.00 0.00 0.00 33.01 32.99 1de2 s GLN 29 CO 0.14 -0.16 -0.19 -2.30 0.00 0.00 0.00 175.29 172.77 1de2 n PRO 30 N 4.27 -1.05 -3.49 9.60 -0.02 -1.26 -4.88 135.00 138.17 1de2 n PRO 30 Ca -0.24 -0.29 -0.09 0.00 -2.02 0.00 0.00 63.50 60.86 1de2 n PRO 30 Cb 0.55 -1.59 -0.02 0.00 -0.02 0.00 0.00 33.50 32.42 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 -2.22 -0.39 -0.13 6.00 -0.12 -1.26 -4.28 117.98 115.58 1de2 s PHE 31 Ca 0.52 0.22 0.01 0.00 -0.05 0.00 0.00 56.93 57.64 1de2 s PHE 31 Cb -0.11 0.55 0.02 0.00 -0.63 0.00 0.00 43.02 42.85 1de2 s PHE 31 CO 0.67 -0.65 -0.15 -1.21 -0.05 0.00 0.00 175.22 173.84 1de2 s GLU 32 N -3.31 2.27 -0.05 1.99 2.02 0.24 -4.84 118.70 117.02 1de2 s GLU 32 Ca 0.04 -0.56 -0.02 0.00 0.02 0.00 0.00 54.97 54.45 1de2 s GLU 32 Cb -0.01 -2.02 -0.04 0.00 0.10 0.00 0.00 34.13 32.17 1de2 s GLU 32 CO -0.10 -0.16 0.08 0.12 0.02 0.00 0.00 175.26 175.22 1de2 s PHE 33 N 1.27 3.33 -0.08 1.61 5.36 -1.26 0.15 117.98 128.36 1de2 s PHE 33 Ca 0.00 0.27 -0.04 0.00 -0.96 0.00 0.00 56.93 56.21 1de2 s PHE 33 Cb -0.14 -1.79 0.04 0.00 -0.34 0.00 0.00 43.02 40.79 1de2 s PHE 33 CO -0.07 0.57 0.18 0.42 -1.46 0.00 0.00 175.22 174.86 1de2 s ILE 34 N -1.10 -0.11 -0.20 3.12 1.01 -0.75 -4.88 121.20 118.30 1de2 s ILE 34 Ca 0.19 0.21 -0.27 0.00 0.00 0.00 0.00 60.65 60.78 1de2 s ILE 34 Cb -0.12 -0.29 -0.00 0.00 0.01 0.00 0.00 42.46 42.06 1de2 s ILE 34 CO 0.10 0.09 0.93 0.54 0.00 0.00 0.00 174.94 176.59 1de2 s ASN 35 N 1.46 7.01 0.26 3.58 4.22 -1.26 -2.34 114.94 127.87 1de2 s ASN 35 Ca -0.06 1.25 0.26 0.00 -2.14 0.00 0.00 52.86 52.16 1de2 s ASN 35 Cb -0.11 -2.49 0.82 0.00 1.28 0.00 0.00 41.25 40.74 1de2 s ASN 35 CO -0.07 -0.53 1.75 0.16 -2.04 0.00 0.00 177.10 176.37 1de2 h ILE 36 N 5.34 0.00 -2.86 0.54 3.07 -0.40 -3.37 117.51 119.83 1de2 h ILE 36 Ca -0.24 -0.48 -0.61 0.00 1.55 0.00 0.00 64.86 65.08 1de2 h ILE 36 Cb 1.10 1.43 -0.41 0.00 -0.27 0.00 0.00 36.82 38.66 1de2 h ILE 36 CO 0.90 0.00 -0.67 0.80 -1.05 0.00 0.00 178.15 178.13 1de2 n MET 37 N -2.38 1.46 0.00 0.16 0.00 -1.26 0.78 117.12 115.88 1de2 n MET 37 Ca 0.04 -4.17 0.10 0.00 0.00 0.00 0.00 57.70 53.67 1de2 n MET 37 Cb 0.39 -2.13 0.50 0.00 0.00 0.00 0.00 33.22 31.99 1de2 n MET 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1de2 n PRO 38 N 2.11 0.30 -3.87 2.12 -0.04 -1.26 -4.68 135.00 129.69 1de2 n PRO 38 Ca 0.23 0.09 -0.13 0.00 -0.04 0.00 0.00 63.50 63.65 1de2 n PRO 38 Cb 0.39 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.20 1de2 n PRO 38 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1de2 s GLU 39 N -2.53 0.04 0.00 0.54 2.02 -1.26 -5.01 118.70 112.50 1de2 s GLU 39 Ca 0.19 0.04 0.04 0.00 0.02 0.00 0.00 54.97 55.27 1de2 s GLU 39 Cb 0.13 -0.13 0.20 0.00 0.10 0.00 0.00 34.13 34.43 1de2 s GLU 39 CO 0.30 -0.05 1.10 0.36 0.02 0.00 0.00 175.26 176.99 1de2 n LYS 40 N 3.44 0.02 -0.05 1.61 2.85 -1.26 -2.88 118.16 121.89 1de2 n LYS 40 Ca -0.17 0.38 -0.00 0.00 -1.05 0.00 0.00 58.31 57.46 1de2 n LYS 40 Cb 0.56 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 33.44 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 0.75 0.00 -3.72 2.58 0.00 -1.96 -3.49 103.07 97.24 1de2 h GLY 41 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1de2 h GLY 41 CO 0.00 0.00 -0.23 0.14 0.00 0.00 0.00 176.54 176.45 1de2 s VAL 42 N -1.54 0.08 1.07 4.60 1.01 -1.14 -5.16 120.40 119.32 1de2 s VAL 42 Ca -0.01 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 1de2 s VAL 42 Cb 0.00 -0.98 0.23 0.00 0.00 0.00 0.00 36.38 35.63 1de2 s VAL 42 CO 0.02 -0.38 1.07 -0.36 0.00 0.00 0.00 175.10 175.45 1de2 s PHE 43 N -2.72 1.56 -0.16 5.22 0.08 -1.26 -4.11 117.98 116.59 1de2 s PHE 43 Ca -0.04 1.32 -0.26 0.00 0.12 0.00 0.00 56.93 58.07 1de2 s PHE 43 Cb -0.00 -3.17 -0.01 0.00 -0.57 0.00 0.00 43.02 39.26 1de2 s PHE 43 CO -0.04 -3.42 0.87 0.34 -0.10 0.00 0.00 175.22 172.87 1de2 s ASP 44 N -2.70 7.02 0.22 1.36 2.15 0.23 -4.90 116.67 120.05 1de2 s ASP 44 Ca 0.67 1.26 0.11 0.00 0.43 0.00 0.00 52.55 55.02 1de2 s ASP 44 Cb -0.23 -2.48 0.06 0.00 -0.30 0.00 0.00 42.92 39.97 1de2 s ASP 44 CO 0.62 -0.42 1.43 -0.78 -0.17 0.00 0.00 175.17 175.85 1de2 h ASP 45 N 7.28 0.00 0.69 -0.34 1.82 -1.92 -2.49 116.42 121.46 1de2 h ASP 45 Ca -0.29 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.31 1de2 h ASP 45 Cb 1.13 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.15 1de2 h ASP 45 CO 0.85 0.72 -0.33 -0.33 -1.61 0.00 0.00 179.24 178.54 1de2 h GLU 46 N 0.00 -0.89 -0.29 0.28 5.08 -1.98 0.53 114.58 117.31 1de2 h GLU 46 Ca -0.01 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1de2 h GLU 46 Cb 1.46 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.90 1de2 h GLU 46 CO 0.09 -0.59 0.13 0.87 -1.00 0.00 0.00 179.01 178.52 1de2 h LYS 47 N -1.23 0.42 -0.11 2.33 1.79 -1.97 -2.34 116.57 115.45 1de2 h LYS 47 Ca -0.09 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1de2 h LYS 47 Cb 0.71 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.29 1de2 h LYS 47 CO 0.15 0.42 0.08 0.82 -1.08 0.00 0.00 179.45 179.84 1de2 h ILE 48 N 0.33 1.02 -0.23 1.86 5.03 -1.52 -2.19 117.51 121.82 1de2 h ILE 48 Ca 0.10 -0.05 -0.01 0.00 -0.12 0.00 0.00 64.86 64.78 1de2 h ILE 48 Cb 0.14 0.87 -0.01 0.00 -3.03 0.00 0.00 36.82 34.79 1de2 h ILE 48 CO -0.01 0.03 0.10 0.00 -0.68 0.00 0.00 178.15 177.58 1de2 h ALA 49 N 1.93 0.30 -0.65 1.87 0.00 -0.33 -2.38 119.26 119.99 1de2 h ALA 49 Ca 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1de2 h ALA 49 Cb -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1de2 h ALA 49 CO -0.01 -0.12 0.37 1.49 0.00 0.00 0.00 179.25 180.98 1de2 h GLU 50 N 0.22 0.89 -0.08 0.00 4.81 -1.21 -2.60 114.58 116.62 1de2 h GLU 50 Ca 0.08 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1de2 h GLU 50 Cb 0.16 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1de2 h GLU 50 CO -0.01 0.64 -0.02 1.25 -0.73 0.00 0.00 179.01 180.15 1de2 h LEU 51 N 0.90 -0.08 -0.70 1.64 6.46 -1.09 -2.15 115.31 120.30 1de2 h LEU 51 Ca 0.23 0.02 0.13 0.00 -0.12 0.00 0.00 57.88 58.14 1de2 h LEU 51 Cb 0.00 0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 39.89 1de2 h LEU 51 CO -0.04 -0.03 0.25 -0.07 -0.62 0.00 0.00 178.44 177.93 1de2 h LEU 52 N -0.00 0.21 -0.42 2.25 3.38 -1.06 -0.70 115.31 118.97 1de2 h LEU 52 Ca 0.04 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1de2 h LEU 52 Cb 0.06 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1de2 h LEU 52 CO -0.08 0.09 0.19 0.74 0.09 0.00 0.00 178.44 179.46 1de2 h THR 53 N 0.40 0.94 -0.86 0.22 2.02 -1.23 -1.49 112.91 112.91 1de2 h THR 53 Ca 0.38 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 1de2 h THR 53 Cb 0.55 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 1de2 h THR 53 CO -0.39 0.07 0.51 0.11 0.37 0.00 0.00 175.52 176.19 1de2 h LYS 54 N 0.38 1.17 0.76 6.66 1.57 -0.57 -3.11 116.57 123.43 1de2 h LYS 54 Ca 0.18 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1de2 h LYS 54 Cb 0.12 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.19 1de2 h LYS 54 CO -0.15 0.82 -0.37 -0.07 -0.57 0.00 0.00 179.45 179.11 1de2 h LEU 55 N 1.18 -0.87 0.00 2.94 3.38 -0.36 -3.44 115.31 118.15 1de2 h LEU 55 Ca 0.31 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1de2 h LEU 55 Cb -0.04 0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1de2 h LEU 55 CO -0.06 -0.62 0.00 0.61 0.09 0.00 0.00 178.44 178.46 1de2 n GLY 56 N -1.51 -0.23 1.01 0.83 0.00 -0.64 -5.02 105.19 99.62 1de2 n GLY 56 Ca -0.13 0.58 -0.01 0.00 0.00 0.00 0.00 46.02 46.46 1de2 n GLY 56 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1de2 n ARG 57 N 0.00 0.00 0.00 1.61 3.00 -1.26 -4.52 116.66 115.49 1de2 n ARG 57 Ca 0.00 -1.16 0.00 0.00 -0.00 0.00 0.00 57.85 56.69 1de2 n ARG 57 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 32.46 32.57 1de2 n ARG 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1de2 n ASP 58 N 0.16 0.00 -4.56 6.15 5.75 -1.26 -5.16 116.55 117.63 1de2 n ASP 58 Ca -0.08 0.00 -0.26 0.00 -0.01 0.00 0.00 54.79 54.44 1de2 n ASP 58 Cb 0.81 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.80 1de2 n ASP 58 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1de2 s THR 59 N 2.06 2.10 -0.40 2.12 -1.32 -1.26 -5.03 115.64 113.91 1de2 s THR 59 Ca 0.00 -2.13 -0.00 0.00 -1.21 0.00 0.00 61.69 58.35 1de2 s THR 59 Cb 0.00 -2.75 0.11 0.00 -1.51 0.00 0.00 72.50 68.36 1de2 s THR 59 CO 0.00 -0.14 0.17 -1.10 -2.21 0.00 0.00 174.62 171.33 1de2 s GLN 60 N -3.65 1.85 -1.13 7.08 -0.21 -1.26 -5.04 119.66 117.29 1de2 s GLN 60 Ca 0.33 -1.93 -0.20 0.00 0.02 0.00 0.00 55.36 53.58 1de2 s GLN 60 Cb 0.05 -3.44 0.07 0.00 1.00 0.00 0.00 33.01 30.69 1de2 s GLN 60 CO 0.17 -1.03 1.53 -1.50 -2.12 0.00 0.00 175.29 172.33 1de2 s ILE 61 N 0.90 4.14 0.00 1.08 1.10 -1.26 -3.53 121.20 123.63 1de2 s ILE 61 Ca 0.10 -1.39 0.00 0.00 -0.51 0.00 0.00 60.65 58.85 1de2 s ILE 61 Cb -0.21 -5.08 0.00 0.00 0.15 0.00 0.00 42.46 37.32 1de2 s ILE 61 CO -0.05 -1.92 0.00 0.61 -2.11 0.00 0.00 174.94 171.47 1de2 n GLY 62 N 6.02 1.76 3.55 1.50 0.00 -1.26 -5.03 105.19 111.74 1de2 n GLY 62 Ca 0.39 -0.11 -0.49 0.00 0.00 0.00 0.00 46.02 45.81 1de2 n GLY 62 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1de2 n LEU 63 N -0.00 1.15 -4.69 0.99 -0.00 -1.23 -4.96 117.00 108.26 1de2 n LEU 63 Ca 0.00 1.15 -0.32 0.00 -0.00 0.00 0.00 56.01 56.84 1de2 n LEU 63 Cb 0.06 -1.18 -0.08 0.00 -0.00 0.00 0.00 43.42 42.22 1de2 n LEU 63 CO 0.00 -1.55 -0.32 0.42 -0.00 0.00 0.00 177.39 175.94 1de2 s THR 64 N -0.41 4.14 0.25 1.96 -4.23 -1.26 -5.13 115.64 110.97 1de2 s THR 64 Ca 0.71 -0.71 0.11 0.00 -1.18 0.00 0.00 61.69 60.62 1de2 s THR 64 Cb -0.87 -2.89 -0.05 0.00 1.34 0.00 0.00 72.50 70.04 1de2 s THR 64 CO 0.54 0.30 -0.19 -0.04 -0.54 0.00 0.00 174.62 174.69 1de2 s MET 65 N -1.80 1.55 0.48 3.99 -1.94 -1.26 -4.32 119.30 116.00 1de2 s MET 65 Ca 0.22 -1.69 -0.19 0.00 -1.71 0.00 0.00 55.69 52.32 1de2 s MET 65 Cb -0.12 -1.58 -0.09 0.00 2.01 0.00 0.00 34.83 35.05 1de2 s MET 65 CO 0.13 0.29 0.98 -2.14 -0.01 0.00 0.00 175.02 174.27 1de2 s PRO 66 N -3.45 4.02 -0.25 2.03 0.02 -1.26 -5.01 135.00 131.10 1de2 s PRO 66 Ca 0.27 1.10 -0.03 0.00 0.02 0.00 0.00 61.00 62.36 1de2 s PRO 66 Cb -0.04 -2.14 0.02 0.00 0.02 0.00 0.00 34.50 32.35 1de2 s PRO 66 CO 0.12 -0.22 -0.04 -0.65 -0.33 0.00 0.00 177.00 175.88 1de2 s GLN 67 N -3.56 3.00 0.35 5.54 -0.21 0.12 -4.25 119.66 120.66 1de2 s GLN 67 Ca 0.62 -0.88 -0.08 0.00 0.02 0.00 0.00 55.36 55.04 1de2 s GLN 67 Cb -0.11 -3.04 -0.06 0.00 1.00 0.00 0.00 33.01 30.81 1de2 s GLN 67 CO 0.22 -0.35 0.68 0.08 -2.12 0.00 0.00 175.29 173.79 1de2 s VAL 68 N 1.38 4.88 -0.04 1.09 1.01 0.36 0.98 120.40 130.06 1de2 s VAL 68 Ca 0.02 0.41 -0.03 0.00 0.00 0.00 0.00 61.98 62.37 1de2 s VAL 68 Cb -0.16 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.51 1de2 s VAL 68 CO -0.03 -0.42 0.10 -0.36 0.00 0.00 0.00 175.10 174.38 1de2 s PHE 69 N -2.23 -0.10 0.47 5.22 0.40 0.20 -2.78 117.98 119.16 1de2 s PHE 69 Ca 0.48 0.26 -0.24 0.00 -0.60 0.00 0.00 56.93 56.84 1de2 s PHE 69 Cb -0.10 0.02 -0.08 0.00 0.51 0.00 0.00 43.02 43.37 1de2 s PHE 69 CO 0.30 -0.06 1.25 0.00 0.70 0.00 0.00 175.22 177.41 1de2 n ALA 70 N 3.13 1.21 -0.38 5.36 0.00 -0.65 0.13 120.51 129.31 1de2 n ALA 70 Ca -0.13 0.20 0.31 0.00 0.00 0.00 0.00 53.44 53.82 1de2 n ALA 70 Cb 0.59 -2.26 0.52 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.31 -0.02 -1.22 0.00 -0.01 -1.26 -2.90 135.00 129.29 1de2 n PRO 71 Ca 0.08 0.93 -0.02 0.00 -0.01 0.00 0.00 63.50 64.47 1de2 n PRO 71 Cb 0.42 -1.86 0.00 0.00 -0.01 0.00 0.00 33.50 32.05 1de2 n PRO 71 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 175.50 172.02 1de2 n ASP 72 N -4.10 -0.56 0.00 2.55 -0.08 -1.26 -4.29 116.55 108.81 1de2 n ASP 72 Ca 0.31 -1.19 0.00 0.00 -1.51 0.00 0.00 54.79 52.40 1de2 n ASP 72 Cb 1.22 0.21 0.00 0.00 2.34 0.00 0.00 41.12 44.89 1de2 n ASP 72 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1de2 n GLY 73 N -0.27 0.84 3.34 0.27 0.00 -1.14 -5.16 105.19 103.06 1de2 n GLY 73 Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 1de2 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1de2 s SER 74 N 0.35 1.96 0.08 1.61 0.01 -1.26 -4.88 113.70 111.58 1de2 s SER 74 Ca 0.00 -1.76 -0.31 0.00 1.31 0.00 0.00 55.95 55.19 1de2 s SER 74 Cb 0.00 0.57 -0.09 0.00 0.21 0.00 0.00 66.02 66.71 1de2 s SER 74 CO 0.00 -1.05 1.69 -2.28 0.41 0.00 0.00 173.24 172.01 1de2 s HIS 75 N -3.38 2.35 -0.15 2.43 2.46 -1.26 -1.64 115.29 116.10 1de2 s HIS 75 Ca 0.37 0.24 0.18 0.00 0.47 0.00 0.00 55.06 56.31 1de2 s HIS 75 Cb 0.02 -4.01 -0.25 0.00 -0.13 0.00 0.00 32.58 28.21 1de2 s HIS 75 CO 0.25 -4.10 0.27 -0.89 -2.47 0.00 0.00 174.74 167.80 1de2 n ILE 76 N 4.73 1.23 0.00 0.89 -0.00 -1.12 -4.91 119.36 120.19 1de2 n ILE 76 Ca 0.16 -0.79 0.00 0.00 -0.00 0.00 0.00 62.75 62.12 1de2 n ILE 76 Cb 0.40 -0.51 0.00 0.00 -0.00 0.00 0.00 39.64 39.53 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 1.63 0.57 0.00 7.39 0.00 -1.18 -4.13 105.19 109.47 1de2 n GLY 77 Ca -0.25 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.50 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 0.78 0.00 -0.02 0.00 -1.26 0.13 105.19 104.82 1de2 n GLY 78 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.08 1.61 7.35 -1.26 -2.25 117.46 122.83 1de2 n PHE 79 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 1de2 n PHE 79 Cb 0.00 -0.47 -0.00 0.00 0.35 0.00 0.00 39.48 39.36 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 -0.56 -2.13 3.58 -1.97 0.16 116.42 115.59 1de2 h ASP 80 Ca 0.00 0.03 0.08 0.00 0.42 0.00 0.00 57.03 57.56 1de2 h ASP 80 Cb 0.00 0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.01 1de2 h ASP 80 CO 0.00 0.08 0.20 1.56 -2.88 0.00 0.00 179.24 178.21 1de2 h GLN 81 N 0.21 0.37 -0.51 0.28 7.50 -1.90 -1.49 115.11 119.58 1de2 h GLN 81 Ca 0.13 -0.02 -0.11 0.00 0.50 0.00 0.00 58.65 59.15 1de2 h GLN 81 Cb 0.11 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 27.53 1de2 h GLN 81 CO -0.14 0.25 -0.11 1.25 -1.50 0.00 0.00 178.83 178.58 1de2 h LEU 82 N 0.39 0.94 -2.00 1.46 6.46 -0.97 -2.15 115.31 119.44 1de2 h LEU 82 Ca 0.27 -0.30 0.24 0.00 -0.12 0.00 0.00 57.88 57.97 1de2 h LEU 82 Cb 0.32 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.96 1de2 h LEU 82 CO -0.28 1.06 0.59 -0.09 -0.62 0.00 0.00 178.44 179.10 1de2 h ARG 83 N 0.84 0.00 -0.12 1.25 2.43 0.35 1.40 114.38 120.54 1de2 h ARG 83 Ca 0.13 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.14 1de2 h ARG 83 Cb 0.65 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1de2 h ARG 83 CO 0.04 0.00 -0.63 1.49 -1.51 0.00 0.00 179.97 179.37 1de2 h GLU 84 N 0.00 0.42 -0.18 0.20 4.57 -0.98 0.99 114.58 119.61 1de2 h GLU 84 Ca 0.39 -0.30 -0.06 0.00 -1.18 0.00 0.00 59.36 58.22 1de2 h GLU 84 Cb 1.57 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 30.20 1de2 h GLU 84 CO -0.00 0.91 -0.14 -0.92 -1.18 0.00 0.00 179.01 177.68 1de2 h TYR 85 N 0.31 0.30 0.00 0.92 5.03 0.19 -2.23 116.97 121.49 1de2 h TYR 85 Ca -0.01 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.26 1de2 h TYR 85 Cb 1.17 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.37 1de2 h TYR 85 CO 0.04 0.42 -0.96 1.19 -1.32 0.00 0.00 178.16 177.54 1de2 n PHE 86 N -4.25 0.09 -0.52 -3.82 3.72 -0.22 -5.12 117.46 107.34 1de2 n PHE 86 Ca -0.00 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1de2 n PHE 86 Cb 0.29 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 1de2 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34