#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 3.73 -0.24 1.12 0.40 -1.01 -3.01 117.98 118.98 1de2 s PHE 2 Ca 0.00 1.80 -0.08 0.00 -0.60 0.00 0.00 56.93 58.06 1de2 s PHE 2 Cb 0.00 -2.94 -0.03 0.00 0.51 0.00 0.00 43.02 40.56 1de2 s PHE 2 CO 0.00 0.23 0.08 0.15 0.70 0.00 0.00 175.22 176.38 1de2 s LYS 3 N -1.92 3.73 -0.21 0.44 3.01 -0.14 0.53 119.74 125.18 1de2 s LYS 3 Ca 0.49 -0.44 -0.08 0.00 -1.01 0.00 0.00 55.97 54.92 1de2 s LYS 3 Cb -0.20 -3.33 -0.04 0.00 -1.01 0.00 0.00 37.83 33.25 1de2 s LYS 3 CO 0.25 -0.11 0.09 0.08 0.51 0.00 0.00 175.35 176.17 1de2 s VAL 4 N 1.41 4.82 -0.54 3.17 1.01 -0.81 0.95 120.40 130.40 1de2 s VAL 4 Ca 0.06 -0.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.89 1de2 s VAL 4 Cb -0.15 -3.21 0.13 0.00 0.00 0.00 0.00 36.38 33.16 1de2 s VAL 4 CO 0.04 0.41 0.46 -0.31 0.00 0.00 0.00 175.10 175.70 1de2 s TYR 5 N 0.81 3.34 0.00 5.22 1.51 0.43 -1.13 117.35 127.54 1de2 s TYR 5 Ca 0.05 -1.55 0.00 0.00 -1.01 0.00 0.00 57.07 54.55 1de2 s TYR 5 Cb -0.13 -3.69 0.00 0.00 -0.11 0.00 0.00 41.96 38.03 1de2 s TYR 5 CO 0.02 -1.01 0.00 0.41 -1.11 0.00 0.00 175.55 173.87 1de2 n GLY 6 N 5.03 3.77 3.22 0.71 0.00 -1.04 0.11 105.19 116.99 1de2 n GLY 6 Ca -0.10 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 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 0.34 1.24 0.79 1.61 2.02 -1.26 -2.74 117.35 119.35 1de2 s TYR 7 Ca 0.00 -0.67 -0.13 0.00 -0.37 0.00 0.00 57.07 55.90 1de2 s TYR 7 Cb 0.00 -0.65 0.18 0.00 -0.40 0.00 0.00 41.96 41.09 1de2 s TYR 7 CO 0.00 0.08 1.07 -0.40 -1.57 0.00 0.00 175.55 174.73 1de2 n ASP 8 N 0.24 0.10 0.03 2.29 5.68 -1.26 -4.86 116.55 118.78 1de2 n ASP 8 Ca -0.13 -1.40 0.12 0.00 -0.50 0.00 0.00 54.79 52.87 1de2 n ASP 8 Cb 0.59 -0.82 0.11 0.00 -1.14 0.00 0.00 41.12 39.86 1de2 n ASP 8 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1de2 n SER 9 N -3.68 0.63 0.04 -1.12 7.64 -1.26 -3.14 113.62 112.74 1de2 n SER 9 Ca 0.13 -0.14 -0.22 0.00 1.01 0.00 0.00 58.87 59.65 1de2 n SER 9 Cb 0.47 0.51 -0.14 0.00 -1.01 0.00 0.00 64.21 64.03 1de2 n SER 9 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1de2 h ASN 10 N 0.00 0.50 0.06 6.43 2.35 -1.99 -3.40 115.58 119.52 1de2 h ASN 10 Ca 0.00 -0.90 -0.29 0.00 -0.55 0.00 0.00 56.30 54.56 1de2 h ASN 10 Cb 0.68 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 1de2 h ASN 10 CO 0.00 1.70 -1.56 0.40 -1.65 0.00 0.00 177.43 176.32 1de2 h ILE 11 N -0.11 0.82 -3.20 2.81 1.08 -1.96 -3.46 117.51 113.48 1de2 h ILE 11 Ca -0.32 -2.27 -0.42 0.00 -0.39 0.00 0.00 64.86 61.47 1de2 h ILE 11 Cb 1.92 2.39 -0.40 0.00 -3.07 0.00 0.00 36.82 37.66 1de2 h ILE 11 CO 0.12 0.58 -0.75 -2.28 -0.69 0.00 0.00 178.15 175.13 1de2 s HIS 12 N -2.45 0.17 0.56 1.37 2.46 -1.19 -4.92 115.29 111.29 1de2 s HIS 12 Ca -0.25 -0.03 -0.20 0.00 0.47 0.00 0.00 55.06 55.05 1de2 s HIS 12 Cb 0.06 -0.60 -0.06 0.00 -0.13 0.00 0.00 32.58 31.85 1de2 s HIS 12 CO 0.68 -0.34 1.00 0.36 -2.47 0.00 0.00 174.74 173.96 1de2 n LYS 13 N 5.28 1.06 -3.19 2.88 0.00 -1.26 -4.14 118.16 118.80 1de2 n LYS 13 Ca -0.05 0.40 0.01 0.00 -0.00 0.00 0.00 58.31 58.67 1de2 n LYS 13 Cb 0.49 -2.17 -0.02 0.00 -0.00 0.00 0.00 35.03 33.34 1de2 n LYS 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1de2 h VAL 15 N 6.04 1.39 0.00 0.00 -1.51 -1.99 -3.30 116.25 116.87 1de2 h VAL 15 Ca -0.12 -3.05 -0.05 0.00 -1.23 0.00 0.00 66.70 62.25 1de2 h VAL 15 Cb 1.17 2.81 -0.01 0.00 -2.13 0.00 0.00 31.29 33.13 1de2 h VAL 15 CO 0.22 0.85 -0.26 1.88 -1.23 0.00 0.00 177.57 179.04 1de2 h TYR 16 N 0.04 0.00 -0.12 5.19 -1.99 -2.00 -3.09 116.97 115.01 1de2 h TYR 16 Ca -0.15 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.58 1de2 h TYR 16 Cb 1.93 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.66 1de2 h TYR 16 CO 0.04 0.26 0.08 0.00 -0.00 0.00 0.00 178.16 178.53 1de2 h ASP 18 N 0.15 0.00 0.00 0.00 3.58 -1.69 -0.59 116.42 117.87 1de2 h ASP 18 Ca 0.04 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 1de2 h ASP 18 Cb -0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1de2 h ASP 18 CO -0.01 0.00 -0.00 0.78 -2.88 0.00 0.00 179.24 177.13 1de2 h ASN 19 N 0.00 -0.00 -0.63 2.28 2.35 -1.44 -2.11 115.58 116.03 1de2 h ASN 19 Ca 0.10 -0.73 -0.07 0.00 -0.55 0.00 0.00 56.30 55.05 1de2 h ASN 19 Cb 0.66 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.01 1de2 h ASN 19 CO -0.00 0.73 0.11 0.00 -1.65 0.00 0.00 177.43 176.62 1de2 h ALA 20 N 0.26 0.84 0.72 -0.83 0.00 -1.14 0.39 119.26 119.50 1de2 h ALA 20 Ca -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1de2 h ALA 20 Cb 0.73 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1de2 h ALA 20 CO 0.00 0.59 -0.35 -0.22 0.00 0.00 0.00 179.25 179.28 1de2 h LYS 21 N 0.96 -0.93 -0.33 0.00 3.64 -1.23 0.60 116.57 119.27 1de2 h LYS 21 Ca 0.19 0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1de2 h LYS 21 Cb 0.42 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1de2 h LYS 21 CO 0.01 -0.60 0.11 0.07 -2.27 0.00 0.00 179.45 176.77 1de2 h ARG 22 N -1.04 0.47 0.29 1.90 -0.00 -1.36 -1.44 114.38 113.20 1de2 h ARG 22 Ca -0.10 -0.06 -0.00 0.00 -0.00 0.00 0.00 59.98 59.82 1de2 h ARG 22 Cb 0.76 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.97 30.62 1de2 h ARG 22 CO 0.16 0.42 -0.25 1.25 -0.00 0.00 0.00 179.97 181.55 1de2 h LEU 23 N 0.47 -0.65 -0.31 0.08 7.12 0.12 0.33 115.31 122.47 1de2 h LEU 23 Ca 0.12 0.05 0.02 0.00 0.13 0.00 0.00 57.88 58.20 1de2 h LEU 23 Cb 0.14 0.22 -0.03 0.00 -0.53 0.00 0.00 40.66 40.46 1de2 h LEU 23 CO -0.01 -0.37 0.15 -0.07 -0.13 0.00 0.00 178.44 178.02 1de2 h LEU 24 N -0.55 0.23 -1.01 2.25 3.38 -0.47 0.17 115.31 119.30 1de2 h LEU 24 Ca -0.02 0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.12 1de2 h LEU 24 Cb 0.50 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.12 1de2 h LEU 24 CO -0.03 0.17 0.62 0.74 0.09 0.00 0.00 178.44 180.04 1de2 h THR 25 N 0.32 0.82 -0.02 0.22 2.02 -0.97 0.33 112.91 115.63 1de2 h THR 25 Ca 0.13 -0.31 -0.14 0.00 0.77 0.00 0.00 66.41 66.86 1de2 h THR 25 Cb 0.05 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.29 1de2 h THR 25 CO -0.09 0.16 -0.66 0.58 0.37 0.00 0.00 175.52 175.88 1de2 h VAL 26 N 0.89 1.45 0.00 3.16 2.07 0.04 -2.77 116.25 121.08 1de2 h VAL 26 Ca 0.54 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1de2 h VAL 26 Cb 0.68 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1de2 h VAL 26 CO -0.32 0.63 0.00 1.17 0.02 0.00 0.00 177.57 179.07 1de2 n LYS 27 N -3.79 0.02 -2.76 1.57 3.00 0.91 -4.91 118.16 112.21 1de2 n LYS 27 Ca -0.02 0.05 -0.10 0.00 -0.00 0.00 0.00 58.31 58.24 1de2 n LYS 27 Cb 0.65 -1.50 0.02 0.00 0.00 0.00 0.00 35.03 34.20 1de2 n LYS 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1de2 n LYS 28 N -1.49 -2.71 -4.99 1.64 4.76 0.30 -5.04 118.16 110.62 1de2 n LYS 28 Ca 0.07 0.38 -0.29 0.00 -2.87 0.00 0.00 58.31 55.60 1de2 n LYS 28 Cb 0.30 -4.10 -0.16 0.00 -1.84 0.00 0.00 35.03 29.23 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 -5.26 2.27 0.55 1.97 1.11 -0.81 -5.04 119.66 114.44 1de2 s GLN 29 Ca 0.19 -0.72 -0.11 0.00 0.01 0.00 0.00 55.36 54.73 1de2 s GLN 29 Cb -0.08 -1.86 -0.05 0.00 -1.01 0.00 0.00 33.01 30.01 1de2 s GLN 29 CO 0.23 0.23 0.95 -1.25 0.01 0.00 0.00 175.29 175.45 1de2 s PRO 30 N 0.17 3.69 0.26 2.91 0.04 -1.26 -4.25 135.00 136.56 1de2 s PRO 30 Ca -0.09 0.67 -0.21 0.00 0.04 0.00 0.00 61.00 61.40 1de2 s PRO 30 Cb -0.14 -2.18 0.04 0.00 0.04 0.00 0.00 34.50 32.25 1de2 s PRO 30 CO 0.04 -0.37 0.79 -0.59 0.04 0.00 0.00 177.00 176.92 1de2 s PHE 31 N -2.88 -0.12 -0.01 0.56 -0.71 -1.26 -2.39 117.98 111.17 1de2 s PHE 31 Ca 0.54 -0.33 0.01 0.00 -1.04 0.00 0.00 56.93 56.11 1de2 s PHE 31 Cb -0.11 0.71 0.00 0.00 -1.21 0.00 0.00 43.02 42.42 1de2 s PHE 31 CO 0.44 -1.19 -0.03 -1.83 -1.34 0.00 0.00 175.22 171.27 1de2 s GLU 32 N -3.49 0.36 0.41 1.99 -1.05 0.19 -4.79 118.70 112.31 1de2 s GLU 32 Ca 0.12 -0.10 -0.05 0.00 -0.15 0.00 0.00 54.97 54.79 1de2 s GLU 32 Cb -0.05 -0.39 -0.04 0.00 -0.44 0.00 0.00 34.13 33.22 1de2 s GLU 32 CO 0.07 0.04 0.70 0.12 0.95 0.00 0.00 175.26 177.13 1de2 s PHE 33 N 0.18 3.52 -0.13 4.83 5.36 -1.26 -1.93 117.98 128.55 1de2 s PHE 33 Ca -0.02 0.72 -0.05 0.00 -0.96 0.00 0.00 56.93 56.63 1de2 s PHE 33 Cb -0.05 -2.21 0.06 0.00 -0.34 0.00 0.00 43.02 40.49 1de2 s PHE 33 CO -0.00 -0.10 0.28 0.42 -1.46 0.00 0.00 175.22 174.36 1de2 s ILE 34 N -2.50 -0.35 -0.16 3.12 1.01 -0.28 -4.83 121.20 117.21 1de2 s ILE 34 Ca 0.46 0.24 -0.17 0.00 0.00 0.00 0.00 60.65 61.17 1de2 s ILE 34 Cb -0.10 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 1de2 s ILE 34 CO 0.39 0.10 0.45 0.20 0.00 0.00 0.00 174.94 176.08 1de2 s ASN 35 N 2.18 6.57 0.00 3.58 -0.87 -1.26 -2.51 114.94 122.62 1de2 s ASN 35 Ca -0.02 0.68 0.25 0.00 -1.57 0.00 0.00 52.86 52.20 1de2 s ASN 35 Cb -0.12 -2.27 0.55 0.00 -0.02 0.00 0.00 41.25 39.40 1de2 s ASN 35 CO -0.09 -0.06 1.45 2.30 -2.57 0.00 0.00 177.10 178.12 1de2 n ILE 36 N 4.07 0.00 -3.90 0.60 -5.35 -1.11 -4.66 119.36 109.02 1de2 n ILE 36 Ca -0.07 -0.01 -0.30 0.00 -0.27 0.00 0.00 62.75 62.10 1de2 n ILE 36 Cb 0.51 0.22 -0.15 0.00 -1.74 0.00 0.00 39.64 38.48 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 -2.98 1.16 0.48 6.28 0.00 -1.26 0.41 119.30 123.39 1de2 s MET 37 Ca 0.12 -1.51 0.27 0.00 0.00 0.00 0.00 55.69 54.57 1de2 s MET 37 Cb 0.18 -2.67 1.11 0.00 0.00 0.00 0.00 34.83 33.45 1de2 s MET 37 CO 0.68 -0.95 1.90 -1.00 0.00 0.00 0.00 175.02 175.65 1de2 h PRO 38 N 7.82 0.00 -3.87 4.11 0.13 -1.83 -3.44 132.00 134.92 1de2 h PRO 38 Ca -0.08 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.84 1de2 h PRO 38 Cb 1.02 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.90 1de2 h PRO 38 CO 0.50 0.15 -0.71 -1.83 -0.23 0.00 0.00 178.00 175.88 1de2 s GLU 39 N -3.72 0.17 0.00 0.86 -1.05 -1.26 -5.01 118.70 108.68 1de2 s GLU 39 Ca 0.00 -0.32 0.02 0.00 -0.15 0.00 0.00 54.97 54.52 1de2 s GLU 39 Cb 0.10 0.05 0.07 0.00 -0.44 0.00 0.00 34.13 33.91 1de2 s GLU 39 CO 0.60 -0.02 1.02 1.17 0.95 0.00 0.00 175.26 178.98 1de2 n LYS 40 N 2.32 0.00 -0.05 -4.83 0.00 -1.26 -2.70 118.16 111.64 1de2 n LYS 40 Ca -0.18 0.44 -0.01 0.00 0.00 0.00 0.00 58.31 58.56 1de2 n LYS 40 Cb 0.57 -1.50 -0.01 0.00 0.00 0.00 0.00 35.03 34.10 1de2 n LYS 40 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1de2 h GLY 41 N 0.29 0.00 -5.70 3.14 0.00 -1.97 -3.48 103.07 95.35 1de2 h GLY 41 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 1de2 h GLY 41 CO 0.00 0.00 -0.45 0.14 0.00 0.00 0.00 176.54 176.23 1de2 s VAL 42 N -1.63 -0.02 1.04 4.60 1.01 -1.10 -5.16 120.40 119.13 1de2 s VAL 42 Ca -0.02 0.08 -0.13 0.00 0.00 0.00 0.00 61.98 61.91 1de2 s VAL 42 Cb 0.00 -0.37 0.21 0.00 0.00 0.00 0.00 36.38 36.22 1de2 s VAL 42 CO 0.04 0.03 1.09 0.72 0.00 0.00 0.00 175.10 176.98 1de2 s PHE 43 N 0.74 1.91 -0.76 5.22 -0.12 -1.26 -4.09 117.98 119.62 1de2 s PHE 43 Ca -0.05 0.93 -0.20 0.00 -0.05 0.00 0.00 56.93 57.55 1de2 s PHE 43 Cb -0.06 -3.28 0.10 0.00 -0.63 0.00 0.00 43.02 39.15 1de2 s PHE 43 CO -0.05 -3.08 0.99 0.34 -0.05 0.00 0.00 175.22 173.37 1de2 s ASP 44 N -3.46 6.36 0.58 1.98 2.15 0.17 -4.88 116.67 119.57 1de2 s ASP 44 Ca 0.66 -1.49 0.34 0.00 0.43 0.00 0.00 52.55 52.49 1de2 s ASP 44 Cb -0.18 -2.39 1.85 0.00 -0.30 0.00 0.00 42.92 41.90 1de2 s ASP 44 CO 0.58 -1.24 2.03 -0.78 -0.17 0.00 0.00 175.17 175.59 1de2 h ASP 45 N 9.21 0.00 0.23 -0.34 3.58 -1.93 -2.60 116.42 124.57 1de2 h ASP 45 Ca -0.11 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.34 1de2 h ASP 45 Cb 1.05 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 1de2 h ASP 45 CO 1.14 0.00 -0.17 -0.33 -2.88 0.00 0.00 179.24 176.99 1de2 h GLU 46 N 0.00 -0.39 -0.16 0.28 4.39 -1.95 -0.87 114.58 115.88 1de2 h GLU 46 Ca 0.00 0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.56 1de2 h GLU 46 Cb 0.24 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1de2 h GLU 46 CO 0.00 -0.26 -0.60 0.87 -1.16 0.00 0.00 179.01 177.86 1de2 h LYS 47 N -0.41 0.55 -0.46 2.33 1.79 -1.85 -2.98 116.57 115.54 1de2 h LYS 47 Ca -0.01 -0.37 0.08 0.00 -2.18 0.00 0.00 60.65 58.17 1de2 h LYS 47 Cb 0.36 0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 30.99 1de2 h LYS 47 CO -0.01 0.99 0.04 0.82 -1.08 0.00 0.00 179.45 180.21 1de2 h ILE 48 N 0.41 0.69 0.27 1.86 1.08 -1.32 0.59 117.51 121.08 1de2 h ILE 48 Ca -0.00 -0.05 -0.01 0.00 -0.39 0.00 0.00 64.86 64.40 1de2 h ILE 48 Cb 1.16 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 35.43 1de2 h ILE 48 CO 0.11 0.03 -0.13 0.00 -0.69 0.00 0.00 178.15 177.47 1de2 h ALA 49 N 1.38 -0.36 -0.13 1.87 0.00 -1.15 -2.49 119.26 118.39 1de2 h ALA 49 Ca 0.23 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1de2 h ALA 49 Cb 0.32 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1de2 h ALA 49 CO -0.35 -0.62 0.10 1.49 0.00 0.00 0.00 179.25 179.88 1de2 h GLU 50 N -0.52 0.00 0.66 0.00 4.81 -1.30 -2.47 114.58 115.76 1de2 h GLU 50 Ca -0.04 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1de2 h GLU 50 Cb 0.39 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 1de2 h GLU 50 CO 0.06 0.00 -0.41 1.25 -0.73 0.00 0.00 179.01 179.18 1de2 h LEU 51 N 0.00 -1.03 -0.65 1.64 6.46 0.64 0.56 115.31 122.93 1de2 h LEU 51 Ca 0.06 0.06 0.14 0.00 -0.12 0.00 0.00 57.88 58.02 1de2 h LEU 51 Cb 0.27 0.30 -0.11 0.00 -0.73 0.00 0.00 40.66 40.39 1de2 h LEU 51 CO -0.00 -0.64 -0.00 -0.07 -0.62 0.00 0.00 178.44 177.11 1de2 h LEU 52 N -1.01 -0.30 -1.24 2.25 3.38 -1.26 0.45 115.31 117.58 1de2 h LEU 52 Ca -0.08 0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1de2 h LEU 52 Cb 0.82 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1de2 h LEU 52 CO 0.09 -0.13 -0.11 0.74 0.09 0.00 0.00 178.44 179.11 1de2 h THR 53 N 0.11 0.29 -0.13 0.22 2.02 -1.34 -3.17 112.91 110.91 1de2 h THR 53 Ca 0.34 -0.83 -0.16 0.00 0.77 0.00 0.00 66.41 66.53 1de2 h THR 53 Cb 0.56 1.65 0.01 0.00 -1.74 0.00 0.00 68.15 68.63 1de2 h THR 53 CO -0.56 0.11 -0.53 0.11 0.37 0.00 0.00 175.52 175.02 1de2 h LYS 54 N 0.00 0.58 -0.94 6.66 1.79 0.48 -3.25 116.57 121.90 1de2 h LYS 54 Ca -0.00 -0.46 0.02 0.00 -2.18 0.00 0.00 60.65 58.03 1de2 h LYS 54 Cb 0.64 0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 31.33 1de2 h LYS 54 CO 0.01 1.08 0.62 -0.07 -1.08 0.00 0.00 179.45 180.02 1de2 h LEU 55 N 0.22 1.05 0.00 2.94 4.07 -1.25 -3.44 115.31 118.90 1de2 h LEU 55 Ca -0.03 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1de2 h LEU 55 Cb 1.17 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.65 1de2 h LEU 55 CO 0.11 0.74 0.00 0.61 -1.08 0.00 0.00 178.44 178.82 1de2 n GLY 56 N -1.39 -0.93 1.62 0.83 0.00 -1.23 -4.65 105.19 99.45 1de2 n GLY 56 Ca 0.12 0.66 -0.02 0.00 0.00 0.00 0.00 46.02 46.78 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 0.00 0.39 0.00 1.61 1.74 -1.26 -4.68 116.66 114.46 1de2 n ARG 57 Ca 0.00 -1.68 0.00 0.00 -0.77 0.00 0.00 57.85 55.40 1de2 n ARG 57 Cb 0.00 0.06 0.00 0.00 -1.02 0.00 0.00 32.46 31.50 1de2 n ARG 57 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1de2 n ASP 58 N -0.10 0.40 -4.61 0.55 5.75 -1.26 -5.11 116.55 112.17 1de2 n ASP 58 Ca -0.10 0.00 -0.28 0.00 -0.01 0.00 0.00 54.79 54.40 1de2 n ASP 58 Cb 0.90 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.88 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 1.73 1.84 -0.67 2.12 -1.32 -1.26 -4.78 115.64 113.30 1de2 s THR 59 Ca 0.00 -2.00 -0.21 0.00 -1.21 0.00 0.00 61.69 58.27 1de2 s THR 59 Cb 0.00 -2.92 0.09 0.00 -1.51 0.00 0.00 72.50 68.16 1de2 s THR 59 CO 0.00 0.00 0.90 0.00 -2.21 0.00 0.00 174.62 173.31 1de2 s GLN 60 N -3.74 3.15 -1.17 7.08 -2.07 -1.26 -4.97 119.66 116.67 1de2 s GLN 60 Ca 0.33 -1.10 -0.20 0.00 -1.82 0.00 0.00 55.36 52.57 1de2 s GLN 60 Cb 0.09 -4.32 0.05 0.00 -1.09 0.00 0.00 33.01 27.75 1de2 s GLN 60 CO 0.17 -1.73 1.64 0.42 -1.32 0.00 0.00 175.29 174.47 1de2 s ILE 61 N 3.46 4.00 -1.78 3.63 -1.09 -1.26 -4.12 121.20 124.04 1de2 s ILE 61 Ca 0.20 -1.38 0.00 0.00 -2.23 0.00 0.00 60.65 57.24 1de2 s ILE 61 Cb -0.18 -5.08 0.00 0.00 -1.58 0.00 0.00 42.46 35.62 1de2 s ILE 61 CO 0.07 -1.92 0.00 0.61 -1.23 0.00 0.00 174.94 172.47 1de2 n GLY 62 N 6.04 0.52 3.71 6.18 0.00 -1.26 -4.91 105.19 115.47 1de2 n GLY 62 Ca 0.42 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.05 1de2 n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1de2 n LEU 63 N -2.64 4.75 -4.46 0.99 7.99 -1.26 -5.02 117.00 117.35 1de2 n LEU 63 Ca -0.21 1.00 -0.22 0.00 -0.01 0.00 0.00 56.01 56.57 1de2 n LEU 63 Cb 0.65 -1.52 -0.10 0.00 -0.11 0.00 0.00 43.42 42.33 1de2 n LEU 63 CO 0.27 -0.80 -0.27 0.42 -1.51 0.00 0.00 177.39 175.51 1de2 s THR 64 N -1.29 1.18 0.18 -5.08 -4.23 -1.26 -5.13 115.64 100.01 1de2 s THR 64 Ca 0.69 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.23 1de2 s THR 64 Cb -0.45 -2.77 -0.03 0.00 1.34 0.00 0.00 72.50 70.59 1de2 s THR 64 CO 0.52 0.00 0.27 -0.04 -0.54 0.00 0.00 174.62 174.83 1de2 s MET 65 N -3.88 3.32 0.24 3.99 -1.94 -1.26 -4.16 119.30 115.61 1de2 s MET 65 Ca 0.36 -0.71 -0.20 0.00 -1.71 0.00 0.00 55.69 53.43 1de2 s MET 65 Cb 0.08 -2.87 -0.08 0.00 2.01 0.00 0.00 34.83 33.97 1de2 s MET 65 CO 0.15 0.49 0.75 -1.25 -0.01 0.00 0.00 175.02 175.15 1de2 s PRO 66 N -3.42 4.25 -0.32 2.03 0.05 -1.26 -5.04 135.00 131.30 1de2 s PRO 66 Ca 0.34 0.89 -0.08 0.00 0.05 0.00 0.00 61.00 62.20 1de2 s PRO 66 Cb -0.10 -2.82 0.02 0.00 0.05 0.00 0.00 34.50 31.64 1de2 s PRO 66 CO 0.28 0.36 0.11 -0.65 0.05 0.00 0.00 177.00 177.14 1de2 s GLN 67 N -2.10 2.99 0.51 4.56 -1.52 0.31 -3.81 119.66 120.60 1de2 s GLN 67 Ca 0.45 -0.94 -0.05 0.00 -1.95 0.00 0.00 55.36 52.87 1de2 s GLN 67 Cb -0.16 -3.45 -0.02 0.00 -0.22 0.00 0.00 33.01 29.15 1de2 s GLN 67 CO 0.21 -0.52 0.81 0.08 -0.25 0.00 0.00 175.29 175.62 1de2 s VAL 68 N 1.50 4.56 -0.02 1.09 1.01 0.35 0.16 120.40 129.06 1de2 s VAL 68 Ca 0.02 0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 1de2 s VAL 68 Cb -0.18 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1de2 s VAL 68 CO 0.03 -0.74 0.09 -0.36 0.00 0.00 0.00 175.10 174.13 1de2 s PHE 69 N -2.80 -0.03 0.59 5.22 0.08 0.27 -2.97 117.98 118.34 1de2 s PHE 69 Ca 0.49 0.09 -0.18 0.00 0.12 0.00 0.00 56.93 57.44 1de2 s PHE 69 Cb -0.10 -0.01 -0.06 0.00 -0.57 0.00 0.00 43.02 42.28 1de2 s PHE 69 CO 0.45 -0.11 0.80 0.00 -0.10 0.00 0.00 175.22 176.26 1de2 n ALA 70 N 2.54 -0.31 0.45 5.36 0.00 0.33 -0.97 120.51 127.91 1de2 n ALA 70 Ca -0.16 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.34 1de2 n ALA 70 Cb 0.58 -2.01 0.27 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 -0.68 0.01 -0.00 0.00 -0.02 -1.16 -2.31 135.00 130.83 1de2 n PRO 71 Ca 0.13 0.28 0.06 0.00 -2.02 0.00 0.00 63.50 61.95 1de2 n PRO 71 Cb 0.47 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.36 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 -1.49 1.92 0.00 2.55 8.00 -1.26 -4.75 116.55 121.51 1de2 n ASP 72 Ca 0.03 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1de2 n ASP 72 Cb 0.15 1.49 0.00 0.00 -0.02 0.00 0.00 41.12 42.73 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 1.72 1.74 0.00 0.44 0.00 -0.98 -5.18 105.19 102.92 1de2 n GLY 73 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -4.87 113.62 111.99 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 0.00 1.43 2.46 -1.26 0.12 115.29 119.66 1de2 s HIS 75 Ca 0.00 1.06 0.00 0.00 0.47 0.00 0.00 55.06 56.59 1de2 s HIS 75 Cb 0.00 -2.55 0.00 0.00 -0.13 0.00 0.00 32.58 29.90 1de2 s HIS 75 CO 0.00 0.31 0.00 -0.89 -2.47 0.00 0.00 174.74 171.69 1de2 n ILE 76 N 3.01 0.00 0.00 0.89 5.41 -1.16 -4.83 119.36 122.69 1de2 n ILE 76 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.67 1de2 n ILE 76 Cb 0.51 -0.48 0.00 0.00 -0.71 0.00 0.00 39.64 38.96 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 3.25 0.65 0.00 7.39 0.00 -1.19 -4.37 105.19 110.93 1de2 n GLY 77 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.85 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 1.38 0.00 -0.02 0.00 -1.25 0.13 105.19 105.44 1de2 n GLY 78 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.62 117.46 123.52 1de2 n PHE 79 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 1de2 n PHE 79 Cb 0.00 -0.46 -0.03 0.00 0.35 0.00 0.00 39.48 39.34 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 -0.32 -0.80 -2.13 3.58 -1.98 1.01 116.42 115.79 1de2 h ASP 80 Ca 0.00 0.08 0.16 0.00 0.42 0.00 0.00 57.03 57.68 1de2 h ASP 80 Cb 0.00 0.17 -0.10 0.00 1.72 0.00 0.00 39.33 41.12 1de2 h ASP 80 CO 0.00 -0.13 0.34 1.56 -2.88 0.00 0.00 179.24 178.13 1de2 h GLN 81 N -0.09 0.46 0.00 0.28 7.50 -1.91 0.91 115.11 122.26 1de2 h GLN 81 Ca 0.10 -0.03 -0.17 0.00 0.50 0.00 0.00 58.65 59.05 1de2 h GLN 81 Cb 0.24 -0.10 -0.02 0.00 0.05 0.00 0.00 27.48 27.64 1de2 h GLN 81 CO -0.23 0.30 -0.80 1.25 -1.50 0.00 0.00 178.83 177.85 1de2 h LEU 82 N 0.47 0.00 -1.92 1.46 6.46 -0.28 -3.12 115.31 118.39 1de2 h LEU 82 Ca 0.45 0.00 0.22 0.00 -0.12 0.00 0.00 57.88 58.43 1de2 h LEU 82 Cb 0.70 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.60 1de2 h LEU 82 CO -0.42 0.80 0.56 0.03 -0.62 0.00 0.00 178.44 178.80 1de2 h ARG 83 N 0.00 0.06 -0.29 1.25 3.08 0.36 1.51 114.38 120.35 1de2 h ARG 83 Ca -0.01 -0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 1de2 h ARG 83 Cb 1.50 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.52 1de2 h ARG 83 CO 0.10 0.04 -0.25 1.49 -1.07 0.00 0.00 179.97 180.29 1de2 h GLU 84 N 0.07 0.58 -0.44 0.04 4.57 -1.42 0.95 114.58 118.92 1de2 h GLU 84 Ca 0.38 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 58.32 1de2 h GLU 84 Cb 1.42 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.96 1de2 h GLU 84 CO -0.03 0.78 0.19 -0.92 -1.18 0.00 0.00 179.01 177.85 1de2 h TYR 85 N 0.50 0.62 0.00 0.92 5.03 0.20 -2.26 116.97 121.98 1de2 h TYR 85 Ca 0.07 -0.02 -0.20 0.00 2.58 0.00 0.00 58.73 61.16 1de2 h TYR 85 Cb 0.70 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.75 1de2 h TYR 85 CO 0.03 0.48 -1.31 0.74 -1.32 0.00 0.00 178.16 176.77 1de2 h PHE 86 N 0.62 0.00 0.00 -3.82 0.04 -0.54 -3.52 116.94 109.72 1de2 h PHE 86 Ca 0.15 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1de2 h PHE 86 Cb 0.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1de2 h PHE 86 CO 0.01 0.75 0.00 1.63 -0.60 0.00 0.00 178.31 180.10