#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de2 s PHE 2 N 0.00 3.18 -0.22 1.12 0.40 -1.03 -3.08 117.98 118.35 1de2 s PHE 2 Ca 0.00 1.51 -0.03 0.00 -0.60 0.00 0.00 56.93 57.80 1de2 s PHE 2 Cb 0.00 -2.93 -0.00 0.00 0.51 0.00 0.00 43.02 40.60 1de2 s PHE 2 CO 0.00 -0.75 -0.06 0.15 0.70 0.00 0.00 175.22 175.26 1de2 s LYS 3 N -3.93 3.29 -0.17 0.44 3.01 0.43 0.50 119.74 123.31 1de2 s LYS 3 Ca 0.62 -0.68 -0.03 0.00 -1.01 0.00 0.00 55.97 54.88 1de2 s LYS 3 Cb -0.13 -2.97 -0.02 0.00 -1.01 0.00 0.00 37.83 33.70 1de2 s LYS 3 CO 0.32 -0.22 -0.06 0.08 0.51 0.00 0.00 175.35 175.98 1de2 s VAL 4 N 1.45 3.52 -0.47 3.17 1.01 -1.01 0.55 120.40 128.61 1de2 s VAL 4 Ca 0.05 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 1de2 s VAL 4 Cb -0.14 -2.55 0.11 0.00 0.00 0.00 0.00 36.38 33.80 1de2 s VAL 4 CO -0.04 0.48 0.36 -0.31 0.00 0.00 0.00 175.10 175.58 1de2 s TYR 5 N 0.74 3.38 0.00 5.22 2.02 0.32 -1.69 117.35 127.33 1de2 s TYR 5 Ca -0.03 -1.68 0.00 0.00 -0.37 0.00 0.00 57.07 54.99 1de2 s TYR 5 Cb -0.15 -3.43 0.00 0.00 -0.40 0.00 0.00 41.96 37.98 1de2 s TYR 5 CO 0.02 -0.96 0.00 0.41 -1.57 0.00 0.00 175.55 173.45 1de2 n GLY 6 N 4.98 3.62 3.41 0.71 0.00 -1.07 -0.63 105.19 116.20 1de2 n GLY 6 Ca -0.09 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 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 0.33 2.02 0.00 1.61 2.02 -1.26 -1.57 117.35 120.50 1de2 s TYR 7 Ca 0.00 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 1de2 s TYR 7 Cb 0.00 -0.91 0.00 0.00 -0.40 0.00 0.00 41.96 40.65 1de2 s TYR 7 CO 0.00 0.53 0.00 -0.25 -1.57 0.00 0.00 175.55 174.26 1de2 n ASP 8 N -0.40 0.00 0.00 2.29 9.92 -1.26 -4.94 116.55 122.15 1de2 n ASP 8 Ca -0.07 0.33 0.00 0.00 -0.53 0.00 0.00 54.79 54.51 1de2 n ASP 8 Cb 0.60 -0.48 0.00 0.00 -0.64 0.00 0.00 41.12 40.60 1de2 n ASP 8 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1de2 n SER 9 N -2.11 0.00 0.11 -2.24 2.88 -1.19 -4.86 113.62 106.21 1de2 n SER 9 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1de2 n SER 9 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1de2 n SER 9 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1de2 h ASN 10 N 0.00 0.00 0.11 -3.46 4.21 -2.00 -3.34 115.58 111.10 1de2 h ASN 10 Ca 0.00 0.00 -0.33 0.00 1.21 0.00 0.00 56.30 57.18 1de2 h ASN 10 Cb 0.00 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.18 1de2 h ASN 10 CO 0.00 0.73 -1.81 0.40 -1.29 0.00 0.00 177.43 175.46 1de2 h ILE 11 N 0.00 0.72 -3.01 2.81 5.03 -1.93 -3.49 117.51 117.65 1de2 h ILE 11 Ca -0.01 -2.33 -0.08 0.00 -0.12 0.00 0.00 64.86 62.33 1de2 h ILE 11 Cb 1.51 2.48 -0.17 0.00 -3.03 0.00 0.00 36.82 37.62 1de2 h ILE 11 CO 0.09 0.78 -0.10 -2.28 -0.68 0.00 0.00 178.15 175.96 1de2 s HIS 12 N -2.52 -0.28 0.64 1.37 2.46 -1.25 -4.83 115.29 110.88 1de2 s HIS 12 Ca -0.23 0.25 -0.13 0.00 0.47 0.00 0.00 55.06 55.42 1de2 s HIS 12 Cb 0.06 0.22 -0.02 0.00 -0.13 0.00 0.00 32.58 32.72 1de2 s HIS 12 CO 0.74 -0.57 1.05 -1.59 -2.47 0.00 0.00 174.74 171.90 1de2 s LYS 13 N -2.45 3.23 0.00 2.88 -2.85 -1.26 -3.16 119.74 116.13 1de2 s LYS 13 Ca -0.05 1.00 0.00 0.00 -1.00 0.00 0.00 55.97 55.92 1de2 s LYS 13 Cb -0.01 -2.03 0.00 0.00 -2.06 0.00 0.00 37.83 33.73 1de2 s LYS 13 CO -0.02 -0.87 0.00 0.00 0.10 0.00 0.00 175.35 174.56 1de2 h VAL 15 N 0.00 1.37 0.00 0.00 -1.51 -1.98 -2.99 116.25 111.14 1de2 h VAL 15 Ca 0.00 -2.04 0.00 0.00 -1.23 0.00 0.00 66.70 63.43 1de2 h VAL 15 Cb 0.00 2.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 1de2 h VAL 15 CO 0.00 0.62 0.00 1.88 -1.23 0.00 0.00 177.57 178.84 1de2 h TYR 16 N 0.29 0.00 0.42 5.19 -1.99 -1.99 -3.02 116.97 115.87 1de2 h TYR 16 Ca -0.02 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.69 1de2 h TYR 16 Cb 1.23 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.96 1de2 h TYR 16 CO 0.04 0.00 -0.20 0.00 -0.00 0.00 0.00 178.16 178.00 1de2 h ASP 18 N -0.91 0.46 0.39 0.00 1.82 -1.66 -0.55 116.42 115.97 1de2 h ASP 18 Ca -0.06 0.07 -0.02 0.00 -0.39 0.00 0.00 57.03 56.64 1de2 h ASP 18 Cb 0.43 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.44 1de2 h ASP 18 CO 0.09 0.12 -0.19 0.78 -1.61 0.00 0.00 179.24 178.44 1de2 h ASN 19 N 0.43 -0.44 -0.47 2.28 2.35 -1.53 -2.73 115.58 115.48 1de2 h ASN 19 Ca 0.57 -0.05 0.03 0.00 -0.55 0.00 0.00 56.30 56.30 1de2 h ASN 19 Cb 1.39 0.11 -0.04 0.00 0.05 0.00 0.00 38.32 39.83 1de2 h ASN 19 CO -0.28 -0.22 0.25 0.00 -1.65 0.00 0.00 177.43 175.53 1de2 h ALA 20 N -0.06 0.59 -1.00 -0.83 0.00 -0.57 -1.65 119.26 115.73 1de2 h ALA 20 Ca -0.05 0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.09 1de2 h ALA 20 Cb 0.46 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.06 1de2 h ALA 20 CO 0.09 -0.09 0.62 -0.22 0.00 0.00 0.00 179.25 179.65 1de2 h LYS 21 N 0.50 0.55 -0.07 0.00 3.64 -1.14 0.86 116.57 120.91 1de2 h LYS 21 Ca 0.20 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 1de2 h LYS 21 Cb 0.08 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1de2 h LYS 21 CO -0.12 0.37 -0.40 -0.09 -2.27 0.00 0.00 179.45 176.93 1de2 h ARG 22 N 0.57 0.14 0.30 1.90 9.65 -0.99 -2.37 114.38 123.59 1de2 h ARG 22 Ca 0.59 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 59.40 1de2 h ARG 22 Cb 1.19 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.74 1de2 h ARG 22 CO -0.36 0.53 -0.31 1.25 2.80 0.00 0.00 179.97 183.89 1de2 h LEU 23 N 0.12 -0.83 0.23 3.80 6.46 0.11 0.18 115.31 125.40 1de2 h LEU 23 Ca 0.01 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 1de2 h LEU 23 Cb 0.77 0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.98 1de2 h LEU 23 CO 0.06 -0.43 -0.11 -0.07 -0.62 0.00 0.00 178.44 177.26 1de2 h LEU 24 N -0.64 -0.27 -0.93 2.25 3.38 -1.40 -1.62 115.31 116.09 1de2 h LEU 24 Ca -0.01 -0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.13 1de2 h LEU 24 Cb 0.59 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.30 1de2 h LEU 24 CO -0.06 -0.18 0.51 0.74 0.09 0.00 0.00 178.44 179.54 1de2 h THR 25 N -0.33 0.68 -0.12 0.22 2.02 -1.27 0.48 112.91 114.59 1de2 h THR 25 Ca -0.03 -0.23 -0.07 0.00 0.77 0.00 0.00 66.41 66.85 1de2 h THR 25 Cb 0.25 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1de2 h THR 25 CO 0.05 0.12 -0.25 0.58 0.37 0.00 0.00 175.52 176.40 1de2 h VAL 26 N 0.66 1.23 -0.00 3.16 2.07 -0.25 -1.94 116.25 121.17 1de2 h VAL 26 Ca 0.53 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1de2 h VAL 26 Cb 0.83 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1de2 h VAL 26 CO -0.40 0.33 -0.23 0.29 0.02 0.00 0.00 177.57 177.58 1de2 n LYS 27 N -4.17 0.03 -2.41 1.57 4.76 0.14 -4.95 118.16 113.12 1de2 n LYS 27 Ca -0.01 -0.01 -0.05 0.00 -2.87 0.00 0.00 58.31 55.37 1de2 n LYS 27 Cb 0.35 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 32.07 1de2 n LYS 27 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1de2 n LYS 28 N -1.48 -1.96 -4.38 1.97 3.00 0.69 -5.07 118.16 110.94 1de2 n LYS 28 Ca 0.07 0.28 -0.21 0.00 -0.00 0.00 0.00 58.31 58.44 1de2 n LYS 28 Cb 0.34 -3.50 -0.16 0.00 0.00 0.00 0.00 35.03 31.71 1de2 n LYS 28 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1de2 s GLN 29 N -4.30 1.06 0.62 1.64 -1.52 -0.89 -5.02 119.66 111.24 1de2 s GLN 29 Ca 0.02 -0.29 -0.10 0.00 -1.95 0.00 0.00 55.36 53.05 1de2 s GLN 29 Cb -0.00 -0.97 -0.02 0.00 -0.22 0.00 0.00 33.01 31.79 1de2 s GLN 29 CO 0.24 0.06 1.00 -1.25 -0.25 0.00 0.00 175.29 175.09 1de2 s PRO 30 N 0.41 3.34 0.27 2.91 0.04 -1.26 -4.22 135.00 136.49 1de2 s PRO 30 Ca -0.07 0.52 -0.21 0.00 0.04 0.00 0.00 61.00 61.29 1de2 s PRO 30 Cb -0.11 -2.13 0.03 0.00 0.04 0.00 0.00 34.50 32.34 1de2 s PRO 30 CO 0.01 -0.64 0.78 -0.59 0.04 0.00 0.00 177.00 176.60 1de2 s PHE 31 N -3.14 -0.13 -0.06 0.56 -0.71 -1.26 -2.46 117.98 110.78 1de2 s PHE 31 Ca 0.54 -0.33 0.00 0.00 -1.04 0.00 0.00 56.93 56.11 1de2 s PHE 31 Cb -0.11 0.72 0.02 0.00 -1.21 0.00 0.00 43.02 42.44 1de2 s PHE 31 CO 0.51 -1.20 -0.05 -1.21 -1.34 0.00 0.00 175.22 171.93 1de2 s GLU 32 N -3.53 1.00 0.40 1.99 2.02 0.18 -4.79 118.70 115.98 1de2 s GLU 32 Ca 0.12 -0.12 -0.05 0.00 0.02 0.00 0.00 54.97 54.94 1de2 s GLU 32 Cb -0.05 -1.05 -0.04 0.00 0.10 0.00 0.00 34.13 33.08 1de2 s GLU 32 CO 0.07 -0.14 0.68 0.12 0.02 0.00 0.00 175.26 176.01 1de2 s PHE 33 N 1.22 3.52 -0.17 1.61 5.36 -1.26 -2.40 117.98 125.85 1de2 s PHE 33 Ca -0.06 0.70 -0.07 0.00 -0.96 0.00 0.00 56.93 56.54 1de2 s PHE 33 Cb -0.14 -2.19 0.07 0.00 -0.34 0.00 0.00 43.02 40.43 1de2 s PHE 33 CO -0.02 -0.07 0.38 0.42 -1.46 0.00 0.00 175.22 174.47 1de2 s ILE 34 N -2.46 -0.29 -0.34 3.12 1.01 -0.68 -4.90 121.20 116.66 1de2 s ILE 34 Ca 0.45 0.15 -0.29 0.00 0.00 0.00 0.00 60.65 60.96 1de2 s ILE 34 Cb -0.10 -0.59 0.02 0.00 0.01 0.00 0.00 42.46 41.80 1de2 s ILE 34 CO 0.38 0.06 1.08 0.21 0.00 0.00 0.00 174.94 176.67 1de2 s ASN 35 N 1.93 6.89 0.44 3.58 2.47 -1.26 -2.61 114.94 126.38 1de2 s ASN 35 Ca -0.05 0.97 0.23 0.00 0.42 0.00 0.00 52.86 54.43 1de2 s ASN 35 Cb -0.10 -2.54 0.36 0.00 -1.45 0.00 0.00 41.25 37.52 1de2 s ASN 35 CO -0.12 -0.92 1.62 0.16 -3.72 0.00 0.00 177.10 174.12 1de2 h ILE 36 N 5.79 0.05 -3.09 -5.21 -0.00 -1.64 -3.39 117.51 110.01 1de2 h ILE 36 Ca -0.21 -1.05 -0.62 0.00 -0.00 0.00 0.00 64.86 62.98 1de2 h ILE 36 Cb 1.06 2.01 -0.41 0.00 -0.00 0.00 0.00 36.82 39.48 1de2 h ILE 36 CO 1.04 0.03 -0.67 -0.32 -0.00 0.00 0.00 178.15 178.23 1de2 s MET 37 N -3.21 1.88 0.00 0.16 0.00 -1.26 0.62 119.30 117.48 1de2 s MET 37 Ca 0.07 -2.67 0.22 0.00 0.00 0.00 0.00 55.69 53.30 1de2 s MET 37 Cb 0.05 -2.94 1.16 0.00 0.00 0.00 0.00 34.83 33.10 1de2 s MET 37 CO 0.67 -1.21 1.68 -2.30 0.00 0.00 0.00 175.02 173.87 1de2 n PRO 38 N 2.80 0.44 -3.87 4.11 -0.02 -1.26 -4.70 135.00 132.50 1de2 n PRO 38 Ca 0.13 0.06 -0.13 0.00 -2.02 0.00 0.00 63.50 61.53 1de2 n PRO 38 Cb 0.35 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.18 1de2 n PRO 38 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1de2 s GLU 39 N -2.36 0.05 0.00 -0.52 2.12 -1.26 -5.01 118.70 111.71 1de2 s GLU 39 Ca 0.25 0.04 0.06 0.00 0.36 0.00 0.00 54.97 55.68 1de2 s GLU 39 Cb 0.15 -0.13 0.28 0.00 0.26 0.00 0.00 34.13 34.69 1de2 s GLU 39 CO 0.30 -0.04 1.16 1.17 -0.54 0.00 0.00 175.26 177.31 1de2 n LYS 40 N 3.42 0.02 -0.04 4.30 4.81 -1.26 -3.05 118.16 126.36 1de2 n LYS 40 Ca -0.17 0.35 -0.01 0.00 -0.87 0.00 0.00 58.31 57.61 1de2 n LYS 40 Cb 0.57 -1.50 -0.00 0.00 0.02 0.00 0.00 35.03 34.11 1de2 n LYS 40 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1de2 h GLY 41 N 1.07 0.00 -5.00 3.14 0.00 -1.96 -3.49 103.07 96.82 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 -0.54 0.14 0.00 0.00 0.00 176.54 176.14 1de2 s VAL 42 N -1.57 0.06 0.94 4.60 1.01 -1.17 -5.16 120.40 119.11 1de2 s VAL 42 Ca -0.04 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 1de2 s VAL 42 Cb 0.01 -0.34 0.15 0.00 0.00 0.00 0.00 36.38 36.20 1de2 s VAL 42 CO 0.06 -0.28 1.11 0.72 0.00 0.00 0.00 175.10 176.72 1de2 s PHE 43 N -0.93 2.35 -0.25 5.22 -0.12 -1.26 -4.03 117.98 118.95 1de2 s PHE 43 Ca -0.10 0.97 -0.23 0.00 -0.05 0.00 0.00 56.93 57.52 1de2 s PHE 43 Cb -0.06 -3.29 -0.01 0.00 -0.63 0.00 0.00 43.02 39.03 1de2 s PHE 43 CO 0.01 -2.55 0.78 0.34 -0.05 0.00 0.00 175.22 173.75 1de2 s ASP 44 N -3.72 6.76 0.47 1.98 2.15 0.20 -4.91 116.67 119.60 1de2 s ASP 44 Ca 0.64 0.94 0.27 0.00 0.43 0.00 0.00 52.55 54.83 1de2 s ASP 44 Cb -0.17 -2.41 0.75 0.00 -0.30 0.00 0.00 42.92 40.79 1de2 s ASP 44 CO 0.56 -0.48 1.76 -0.78 -0.17 0.00 0.00 175.17 176.05 1de2 h ASP 45 N 7.75 0.00 0.77 -0.34 1.82 -1.94 -2.89 116.42 121.58 1de2 h ASP 45 Ca -0.24 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.36 1de2 h ASP 45 Cb 1.10 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.12 1de2 h ASP 45 CO 0.85 0.00 -0.37 -0.33 -1.61 0.00 0.00 179.24 177.78 1de2 h GLU 46 N 0.00 -0.99 -0.69 0.28 5.08 -1.96 0.93 114.58 117.23 1de2 h GLU 46 Ca 0.00 0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 1de2 h GLU 46 Cb 0.80 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 1de2 h GLU 46 CO 0.00 -0.64 0.18 0.87 -1.00 0.00 0.00 179.01 178.42 1de2 h LYS 47 N -1.17 1.09 -0.16 2.33 1.79 -1.95 -2.31 116.57 116.20 1de2 h LYS 47 Ca -0.11 -0.25 -0.06 0.00 -2.18 0.00 0.00 60.65 58.05 1de2 h LYS 47 Cb 0.81 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.30 1de2 h LYS 47 CO 0.17 0.96 -0.19 0.82 -1.08 0.00 0.00 179.45 180.13 1de2 h ILE 48 N 1.02 1.21 -0.15 1.86 2.04 -1.46 -2.80 117.51 119.23 1de2 h ILE 48 Ca 0.22 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1de2 h ILE 48 Cb 0.35 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1de2 h ILE 48 CO -0.00 0.30 0.10 0.00 0.00 0.00 0.00 178.15 178.55 1de2 h ALA 49 N 1.57 0.20 -0.71 1.87 0.00 0.15 -1.57 119.26 120.76 1de2 h ALA 49 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1de2 h ALA 49 Cb 0.48 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1de2 h ALA 49 CO 0.03 -0.31 0.42 1.49 0.00 0.00 0.00 179.25 180.88 1de2 h GLU 50 N 0.20 0.96 0.69 0.00 4.81 -1.32 -2.62 114.58 117.30 1de2 h GLU 50 Ca 0.06 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1de2 h GLU 50 Cb -0.01 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.17 1de2 h GLU 50 CO -0.01 0.68 -0.38 1.25 -0.73 0.00 0.00 179.01 179.82 1de2 h LEU 51 N 0.98 -0.94 -0.88 1.64 6.46 -1.17 -0.10 115.31 121.29 1de2 h LEU 51 Ca 0.26 0.05 0.23 0.00 -0.12 0.00 0.00 57.88 58.29 1de2 h LEU 51 Cb -0.03 0.26 -0.14 0.00 -0.73 0.00 0.00 40.66 40.03 1de2 h LEU 51 CO -0.05 -0.62 0.30 -0.07 -0.62 0.00 0.00 178.44 177.39 1de2 h LEU 52 N -1.00 0.13 -0.96 2.25 3.38 -1.08 0.66 115.31 118.68 1de2 h LEU 52 Ca -0.09 0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1de2 h LEU 52 Cb 0.79 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1de2 h LEU 52 CO 0.12 -0.11 -0.48 0.74 0.09 0.00 0.00 178.44 178.80 1de2 h THR 53 N 0.27 1.23 -0.33 0.22 2.02 -1.15 -3.19 112.91 111.97 1de2 h THR 53 Ca 0.56 -1.72 -0.04 0.00 0.77 0.00 0.00 66.41 65.98 1de2 h THR 53 Cb 1.12 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 69.48 1de2 h THR 53 CO -0.61 0.47 0.05 0.50 0.37 0.00 0.00 175.52 176.30 1de2 h LYS 54 N 0.00 0.55 0.58 6.66 3.64 0.22 -3.30 116.57 124.92 1de2 h LYS 54 Ca -0.00 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 1de2 h LYS 54 Cb 0.92 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1de2 h LYS 54 CO 0.06 0.63 -0.30 -0.07 -2.27 0.00 0.00 179.45 177.51 1de2 h LEU 55 N 0.38 -0.72 0.00 5.20 4.07 -1.40 -3.44 115.31 119.40 1de2 h LEU 55 Ca 0.10 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1de2 h LEU 55 Cb 0.35 0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.28 1de2 h LEU 55 CO 0.01 -0.49 0.00 0.61 -1.08 0.00 0.00 178.44 177.49 1de2 n GLY 56 N -1.40 1.32 1.20 0.83 0.00 -1.22 -4.95 105.19 100.97 1de2 n GLY 56 Ca -0.10 0.34 -0.02 0.00 0.00 0.00 0.00 46.02 46.25 1de2 n GLY 56 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1de2 n ARG 57 N 0.00 0.00 0.00 1.61 1.85 -1.26 -4.63 116.66 114.23 1de2 n ARG 57 Ca 0.00 -1.43 0.00 0.00 -1.00 0.00 0.00 57.85 55.42 1de2 n ARG 57 Cb 0.00 0.24 0.00 0.00 -1.05 0.00 0.00 32.46 31.65 1de2 n ARG 57 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1de2 n ASP 58 N 0.23 0.89 -4.54 2.89 8.00 -1.26 -5.14 116.55 117.62 1de2 n ASP 58 Ca -0.11 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.13 1de2 n ASP 58 Cb 0.90 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.89 1de2 n ASP 58 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1de2 s THR 59 N 1.42 2.09 -0.37 -3.53 -1.32 -1.26 -4.94 115.64 107.73 1de2 s THR 59 Ca 0.00 -2.15 0.02 0.00 -1.21 0.00 0.00 61.69 58.35 1de2 s THR 59 Cb 0.00 -2.69 0.11 0.00 -1.51 0.00 0.00 72.50 68.40 1de2 s THR 59 CO 0.00 -0.17 0.10 -1.10 -2.21 0.00 0.00 174.62 171.24 1de2 s GLN 60 N -3.65 1.64 -1.15 7.08 -0.21 -1.26 -5.04 119.66 117.07 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 0.04 -3.31 0.07 0.00 1.00 0.00 0.00 33.01 30.82 1de2 s GLN 60 CO 0.16 -0.98 1.57 0.42 -2.12 0.00 0.00 175.29 174.34 1de2 s ILE 61 N 0.85 4.11 0.00 1.08 -1.09 -1.26 -3.32 121.20 121.57 1de2 s ILE 61 Ca 0.11 -1.43 0.00 0.00 -2.23 0.00 0.00 60.65 57.10 1de2 s ILE 61 Cb -0.20 -5.10 0.00 0.00 -1.58 0.00 0.00 42.46 35.57 1de2 s ILE 61 CO -0.07 -1.95 0.00 0.61 -1.23 0.00 0.00 174.94 172.31 1de2 n GLY 62 N 6.00 1.99 3.64 6.18 0.00 -1.26 -5.07 105.19 116.66 1de2 n GLY 62 Ca 0.40 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.94 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 2.49 -4.49 0.99 -0.00 -1.21 -4.98 117.00 109.79 1de2 n LEU 63 Ca 0.00 1.11 -0.28 0.00 -0.00 0.00 0.00 56.01 56.85 1de2 n LEU 63 Cb 0.00 -1.33 -0.11 0.00 -0.00 0.00 0.00 43.42 41.98 1de2 n LEU 63 CO 0.00 -0.68 -0.48 0.42 -0.00 0.00 0.00 177.39 176.65 1de2 s THR 64 N 0.43 2.80 0.25 1.96 -4.23 -1.26 -5.15 115.64 110.44 1de2 s THR 64 Ca 0.77 -1.72 0.11 0.00 -1.18 0.00 0.00 61.69 59.67 1de2 s THR 64 Cb -0.77 -2.34 -0.05 0.00 1.34 0.00 0.00 72.50 70.69 1de2 s THR 64 CO 0.45 -0.03 -0.13 -0.04 -0.54 0.00 0.00 174.62 174.32 1de2 s MET 65 N -2.52 1.90 0.02 3.99 -1.94 -1.26 -4.08 119.30 115.40 1de2 s MET 65 Ca 0.21 -1.57 -0.22 0.00 -1.71 0.00 0.00 55.69 52.40 1de2 s MET 65 Cb -0.09 -1.95 -0.05 0.00 2.01 0.00 0.00 34.83 34.75 1de2 s MET 65 CO 0.12 0.36 0.67 -1.25 -0.01 0.00 0.00 175.02 174.91 1de2 s PRO 66 N -3.37 4.40 -0.00 2.03 0.05 -1.26 -5.03 135.00 131.82 1de2 s PRO 66 Ca 0.29 0.88 -0.16 0.00 0.05 0.00 0.00 61.00 62.06 1de2 s PRO 66 Cb -0.06 -3.35 -0.06 0.00 0.05 0.00 0.00 34.50 31.08 1de2 s PRO 66 CO 0.16 0.34 0.43 -1.14 0.05 0.00 0.00 177.00 176.84 1de2 s GLN 67 N -0.15 3.99 0.21 4.56 2.00 0.20 -4.48 119.66 126.00 1de2 s GLN 67 Ca 0.34 0.46 0.07 0.00 -2.00 0.00 0.00 55.36 54.23 1de2 s GLN 67 Cb -0.19 -3.24 -0.04 0.00 0.80 0.00 0.00 33.01 30.34 1de2 s GLN 67 CO 0.20 0.64 0.10 0.08 -0.50 0.00 0.00 175.29 175.81 1de2 s VAL 68 N -0.94 4.13 -0.05 1.34 1.01 0.49 0.12 120.40 126.49 1de2 s VAL 68 Ca 0.24 -1.41 -0.05 0.00 0.00 0.00 0.00 61.98 60.76 1de2 s VAL 68 Cb -0.17 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.06 1de2 s VAL 68 CO 0.14 -0.24 0.15 -0.36 0.00 0.00 0.00 175.10 174.78 1de2 s PHE 69 N -1.98 -0.13 0.57 5.22 0.40 0.19 -2.73 117.98 119.51 1de2 s PHE 69 Ca 0.31 0.32 -0.20 0.00 -0.60 0.00 0.00 56.93 56.77 1de2 s PHE 69 Cb -0.08 0.04 -0.06 0.00 0.51 0.00 0.00 43.02 43.43 1de2 s PHE 69 CO 0.22 -0.11 0.97 0.00 0.70 0.00 0.00 175.22 177.01 1de2 n ALA 70 N 2.79 0.20 0.34 5.36 0.00 0.30 -0.42 120.51 129.08 1de2 n ALA 70 Ca -0.14 0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.46 1de2 n ALA 70 Cb 0.58 -2.10 0.48 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.75 0.16 -0.02 0.00 -0.02 -1.18 -2.20 135.00 130.98 1de2 n PRO 71 Ca 0.13 0.46 0.07 0.00 -2.02 0.00 0.00 63.50 62.13 1de2 n PRO 71 Cb 0.46 -1.84 -0.16 0.00 -0.02 0.00 0.00 33.50 31.94 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 -2.14 0.38 0.00 2.55 9.92 -1.26 -4.76 116.55 121.24 1de2 n ASP 72 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 1de2 n ASP 72 Cb 0.17 1.78 0.00 0.00 -0.64 0.00 0.00 41.12 42.43 1de2 n ASP 72 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1de2 n GLY 73 N 1.43 1.48 0.00 0.44 0.00 -0.94 -5.18 105.19 102.42 1de2 n GLY 73 Ca -0.08 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1de2 n GLY 73 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1de2 n SER 74 N 0.00 0.00 -4.75 1.61 7.64 -1.26 -4.88 113.62 111.97 1de2 n SER 74 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 1de2 n SER 74 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1de2 n SER 74 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1de2 s HIS 75 N -2.00 3.62 -0.04 1.43 2.46 -1.26 0.11 115.29 119.61 1de2 s HIS 75 Ca 0.00 1.06 -0.01 0.00 0.47 0.00 0.00 55.06 56.58 1de2 s HIS 75 Cb 0.00 -2.56 -0.02 0.00 -0.13 0.00 0.00 32.58 29.87 1de2 s HIS 75 CO 0.00 0.31 -0.05 -0.89 -2.47 0.00 0.00 174.74 171.64 1de2 n ILE 76 N 3.02 0.23 0.00 0.89 5.41 -1.11 -4.83 119.36 122.97 1de2 n ILE 76 Ca -0.07 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1de2 n ILE 76 Cb 0.51 -1.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.30 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 2.99 0.38 0.00 7.39 0.00 -1.20 -4.24 105.19 110.51 1de2 n GLY 77 Ca -0.08 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 0.71 0.00 -0.02 0.00 -1.26 -0.38 105.19 104.24 1de2 n GLY 78 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.11 1.61 -0.00 -1.26 -2.00 117.46 115.70 1de2 n PHE 79 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.40 1de2 n PHE 79 Cb 0.00 -0.49 0.01 0.00 -0.00 0.00 0.00 39.48 39.00 1de2 n PHE 79 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1de2 h ASP 80 N 0.00 -0.48 -0.98 -2.13 1.82 -1.98 1.17 116.42 113.83 1de2 h ASP 80 Ca 0.00 0.13 0.09 0.00 -0.39 0.00 0.00 57.03 56.86 1de2 h ASP 80 Cb 0.00 0.29 -0.07 0.00 0.68 0.00 0.00 39.33 40.22 1de2 h ASP 80 CO 0.00 -0.17 0.63 1.56 -1.61 0.00 0.00 179.24 179.65 1de2 h GLN 81 N -0.06 1.02 0.04 0.28 4.20 -1.87 -1.62 115.11 117.09 1de2 h GLN 81 Ca 0.19 -0.06 -0.22 0.00 0.06 0.00 0.00 58.65 58.61 1de2 h GLN 81 Cb 0.34 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1de2 h GLN 81 CO -0.42 0.67 -1.02 1.25 -0.67 0.00 0.00 178.83 178.64 1de2 h LEU 82 N 1.05 0.22 -1.69 1.46 6.46 -0.33 -3.16 115.31 119.32 1de2 h LEU 82 Ca 0.46 -0.21 0.23 0.00 -0.12 0.00 0.00 57.88 58.23 1de2 h LEU 82 Cb 0.34 -0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.15 1de2 h LEU 82 CO -0.21 1.11 0.61 0.03 -0.62 0.00 0.00 178.44 179.36 1de2 h ARG 83 N 0.06 0.24 -0.27 1.25 2.47 0.23 1.61 114.38 119.97 1de2 h ARG 83 Ca -0.06 -0.01 -0.10 0.00 -1.26 0.00 0.00 59.98 58.55 1de2 h ARG 83 Cb 1.72 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.98 1de2 h ARG 83 CO 0.15 0.16 -0.26 1.49 0.56 0.00 0.00 179.97 182.07 1de2 h GLU 84 N 0.24 0.52 -0.45 0.04 4.57 -1.47 0.94 114.58 118.97 1de2 h GLU 84 Ca 0.46 -0.20 -0.05 0.00 -1.18 0.00 0.00 59.36 58.39 1de2 h GLU 84 Cb 1.39 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.93 1de2 h GLU 84 CO -0.12 0.74 0.09 -0.92 -1.18 0.00 0.00 179.01 177.62 1de2 h TYR 85 N 0.46 0.70 -0.00 0.92 5.03 0.22 -1.93 116.97 122.37 1de2 h TYR 85 Ca 0.06 -0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1de2 h TYR 85 Cb 0.69 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.77 1de2 h TYR 85 CO 0.02 0.61 -0.58 1.19 -1.32 0.00 0.00 178.16 178.09 1de2 n PHE 86 N -4.29 0.00 -0.45 -3.82 3.72 -0.33 -5.13 117.46 107.16 1de2 n PHE 86 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1de2 n PHE 86 Cb 0.22 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 1de2 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34