#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de1 s PHE 2 N 0.00 3.39 -0.22 1.12 0.40 -0.98 -3.12 117.98 118.57 1de1 s PHE 2 Ca 0.00 1.67 -0.05 0.00 -0.60 0.00 0.00 56.93 57.96 1de1 s PHE 2 Cb 0.00 -3.00 -0.02 0.00 0.51 0.00 0.00 43.02 40.51 1de1 s PHE 2 CO 0.00 -0.28 -0.01 0.15 0.70 0.00 0.00 175.22 175.78 1de1 s LYS 3 N -2.56 3.52 -0.15 0.44 3.01 -0.58 0.33 119.74 123.75 1de1 s LYS 3 Ca 0.57 -0.56 -0.03 0.00 -1.01 0.00 0.00 55.97 54.94 1de1 s LYS 3 Cb -0.18 -3.08 -0.02 0.00 -1.01 0.00 0.00 37.83 33.54 1de1 s LYS 3 CO 0.23 -0.11 -0.06 0.08 0.51 0.00 0.00 175.35 176.00 1de1 s VAL 4 N 1.29 3.68 -0.48 3.17 1.01 -1.00 0.09 120.40 128.16 1de1 s VAL 4 Ca 0.04 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 1de1 s VAL 4 Cb -0.15 -2.60 0.12 0.00 0.00 0.00 0.00 36.38 33.76 1de1 s VAL 4 CO 0.00 0.50 0.34 -0.31 0.00 0.00 0.00 175.10 175.63 1de1 s TYR 5 N 0.40 3.46 0.00 5.22 2.02 0.36 -1.52 117.35 127.28 1de1 s TYR 5 Ca -0.05 -1.98 0.00 0.00 -0.37 0.00 0.00 57.07 54.66 1de1 s TYR 5 Cb -0.15 -3.46 0.00 0.00 -0.40 0.00 0.00 41.96 37.95 1de1 s TYR 5 CO 0.03 -0.99 0.00 0.41 -1.57 0.00 0.00 175.55 173.44 1de1 n GLY 6 N 4.78 4.04 3.27 0.71 0.00 -1.03 -0.58 105.19 116.38 1de1 n GLY 6 Ca -0.06 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.35 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 0.07 1.55 0.00 1.61 1.51 -1.26 -1.79 117.35 119.04 1de1 s TYR 7 Ca 0.00 -0.53 0.00 0.00 -1.01 0.00 0.00 57.07 55.53 1de1 s TYR 7 Cb 0.00 -0.79 0.00 0.00 -0.11 0.00 0.00 41.96 41.06 1de1 s TYR 7 CO 0.00 0.21 0.00 -0.25 -1.11 0.00 0.00 175.55 174.40 1de1 n ASP 8 N 0.43 0.00 0.00 2.29 8.00 -1.25 -4.83 116.55 121.19 1de1 n ASP 8 Ca -0.14 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1de1 n ASP 8 Cb 0.57 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 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 -0.77 0.00 0.07 -2.24 7.64 -0.38 -4.61 113.62 113.34 1de1 n SER 9 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1de1 n SER 9 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.09 0.14 6.43 2.35 -1.99 -3.33 115.58 119.10 1de1 h ASN 10 Ca 0.00 -0.11 -0.36 0.00 -0.55 0.00 0.00 56.30 55.27 1de1 h ASN 10 Cb 0.00 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1de1 h ASN 10 CO 0.00 0.06 -1.97 0.40 -1.65 0.00 0.00 177.43 174.26 1de1 h ILE 11 N -0.24 0.65 -3.73 2.81 1.08 -1.94 -3.48 117.51 112.67 1de1 h ILE 11 Ca -0.01 -2.36 -0.24 0.00 -0.39 0.00 0.00 64.86 61.86 1de1 h ILE 11 Cb 0.20 2.53 -0.28 0.00 -3.07 0.00 0.00 36.82 36.19 1de1 h ILE 11 CO 0.02 0.90 -0.72 -2.28 -0.69 0.00 0.00 178.15 175.37 1de1 s HIS 12 N -2.56 0.02 0.87 1.37 2.46 -1.25 -4.78 115.29 111.42 1de1 s HIS 12 Ca -0.22 0.00 -0.13 0.00 0.47 0.00 0.00 55.06 55.19 1de1 s HIS 12 Cb 0.07 -0.02 0.14 0.00 -0.13 0.00 0.00 32.58 32.64 1de1 s HIS 12 CO 0.78 -0.00 1.23 0.21 -2.47 0.00 0.00 174.74 174.48 1de1 s LYS 13 N 0.03 1.32 0.00 2.88 2.20 -1.26 -1.25 119.74 123.67 1de1 s LYS 13 Ca -0.00 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.38 1de1 s LYS 13 Cb -0.01 -1.93 0.00 0.00 -1.51 0.00 0.00 37.83 34.38 1de1 s LYS 13 CO -0.00 -1.96 0.00 0.00 -0.36 0.00 0.00 175.35 173.03 1de1 n VAL 15 N 0.00 1.62 0.51 0.00 0.24 -1.26 -3.97 118.33 115.47 1de1 n VAL 15 Ca 0.00 -0.79 0.12 0.00 -2.04 0.00 0.00 64.34 61.63 1de1 n VAL 15 Cb 0.00 -1.05 0.26 0.00 -1.47 0.00 0.00 33.84 31.57 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 0.00 -0.19 6.34 -1.99 -1.96 -3.25 116.97 115.93 1de1 h TYR 16 Ca -0.28 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.33 1de1 h TYR 16 Cb 2.01 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.74 1de1 h TYR 16 CO 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 178.16 177.81 1de1 h ASP 18 N 0.22 0.85 -0.25 0.00 1.82 -1.71 -2.46 116.42 114.90 1de1 h ASP 18 Ca 0.01 -0.36 0.03 0.00 -0.39 0.00 0.00 57.03 56.32 1de1 h ASP 18 Cb 0.95 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.69 1de1 h ASP 18 CO 0.08 1.11 0.07 0.78 -1.61 0.00 0.00 179.24 179.67 1de1 h ASN 19 N 0.68 0.06 -0.72 2.28 2.35 -1.58 -2.34 115.58 116.31 1de1 h ASN 19 Ca 0.07 0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.78 1de1 h ASN 19 Cb 0.89 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.26 1de1 h ASN 19 CO 0.08 0.07 0.17 0.00 -1.65 0.00 0.00 177.43 176.10 1de1 h ALA 20 N 1.17 0.95 -1.00 -0.83 0.00 -1.47 -2.42 119.26 115.65 1de1 h ALA 20 Ca 0.11 -0.25 0.23 0.00 0.00 0.00 0.00 54.91 55.00 1de1 h ALA 20 Cb 0.09 -0.27 -0.10 0.00 0.00 0.00 0.00 17.79 17.51 1de1 h ALA 20 CO -0.13 0.67 0.63 0.87 0.00 0.00 0.00 179.25 181.30 1de1 h LYS 21 N 1.09 0.51 0.00 0.00 1.79 -0.93 0.78 116.57 119.82 1de1 h LYS 21 Ca 0.23 -0.03 -0.15 0.00 -2.18 0.00 0.00 60.65 58.52 1de1 h LYS 21 Cb 0.38 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 1de1 h LYS 21 CO 0.00 0.34 -0.70 -0.09 -1.08 0.00 0.00 179.45 177.93 1de1 h ARG 22 N 0.53 0.00 0.15 3.15 2.43 -1.10 -2.96 114.38 116.58 1de1 h ARG 22 Ca 0.58 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.77 1de1 h ARG 22 Cb 1.24 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.76 1de1 h ARG 22 CO -0.33 0.70 -0.32 1.25 -1.51 0.00 0.00 179.97 179.75 1de1 h LEU 23 N 0.00 -0.93 -0.21 3.80 6.46 0.94 0.37 115.31 125.75 1de1 h LEU 23 Ca -0.01 0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.85 1de1 h LEU 23 Cb 1.29 0.35 -0.01 0.00 -0.73 0.00 0.00 40.66 41.56 1de1 h LEU 23 CO 0.09 -0.42 0.09 -0.07 -0.62 0.00 0.00 178.44 177.51 1de1 h LEU 24 N -0.57 0.28 -1.48 2.25 3.38 -1.53 0.22 115.31 117.86 1de1 h LEU 24 Ca 0.02 -0.14 0.10 0.00 0.09 0.00 0.00 57.88 57.95 1de1 h LEU 24 Cb 0.58 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1de1 h LEU 24 CO -0.17 0.35 0.47 0.74 0.09 0.00 0.00 178.44 179.92 1de1 h THR 25 N 0.20 0.91 0.00 0.22 2.02 -1.31 0.69 112.91 115.63 1de1 h THR 25 Ca 0.07 -0.20 -0.14 0.00 0.77 0.00 0.00 66.41 66.91 1de1 h THR 25 Cb 0.14 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1de1 h THR 25 CO -0.01 0.11 -0.68 0.58 0.37 0.00 0.00 175.52 175.89 1de1 h VAL 26 N 0.58 1.25 0.00 3.16 2.07 0.23 -3.12 116.25 120.42 1de1 h VAL 26 Ca 0.33 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 65.29 1de1 h VAL 26 Cb 0.53 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1de1 h VAL 26 CO -0.12 0.67 0.00 1.17 0.02 0.00 0.00 177.57 179.31 1de1 n LYS 27 N -3.38 0.08 -2.79 1.57 3.00 0.14 -4.92 118.16 111.86 1de1 n LYS 27 Ca 0.01 0.09 -0.09 0.00 -0.00 0.00 0.00 58.31 58.32 1de1 n LYS 27 Cb 0.77 -1.60 0.02 0.00 0.00 0.00 0.00 35.03 34.23 1de1 n LYS 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1de1 n LYS 28 N -1.73 -2.60 -4.61 1.64 4.76 -0.61 -5.05 118.16 109.96 1de1 n LYS 28 Ca 0.06 0.32 -0.23 0.00 -2.87 0.00 0.00 58.31 55.59 1de1 n LYS 28 Cb 0.35 -3.84 -0.14 0.00 -1.84 0.00 0.00 35.03 29.55 1de1 n LYS 28 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1de1 s GLN 29 N -5.32 1.19 0.55 1.97 1.11 -1.08 -5.07 119.66 113.02 1de1 s GLN 29 Ca 0.18 -0.68 -0.15 0.00 0.01 0.00 0.00 55.36 54.72 1de1 s GLN 29 Cb -0.08 -1.19 -0.07 0.00 -1.01 0.00 0.00 33.01 30.66 1de1 s GLN 29 CO 0.23 0.31 1.00 -1.25 0.01 0.00 0.00 175.29 175.59 1de1 s PRO 30 N -0.72 3.81 0.26 2.91 0.04 -1.26 -4.39 135.00 135.65 1de1 s PRO 30 Ca 0.05 0.93 -0.21 0.00 0.04 0.00 0.00 61.00 61.80 1de1 s PRO 30 Cb -0.07 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.39 1de1 s PRO 30 CO 0.00 -0.39 0.78 -0.59 0.04 0.00 0.00 177.00 176.84 1de1 s PHE 31 N -2.74 -0.15 -0.03 0.56 -0.71 -1.26 -2.31 117.98 111.33 1de1 s PHE 31 Ca 0.58 -0.30 0.00 0.00 -1.04 0.00 0.00 56.93 56.18 1de1 s PHE 31 Cb -0.11 0.71 0.03 0.00 -1.21 0.00 0.00 43.02 42.44 1de1 s PHE 31 CO 0.37 -1.18 -0.01 -2.00 -1.34 0.00 0.00 175.22 171.07 1de1 s GLU 32 N -3.64 0.40 0.35 1.99 2.12 0.15 -4.78 118.70 115.29 1de1 s GLU 32 Ca 0.12 0.04 -0.08 0.00 0.36 0.00 0.00 54.97 55.42 1de1 s GLU 32 Cb -0.05 -0.56 -0.06 0.00 0.26 0.00 0.00 34.13 33.72 1de1 s GLU 32 CO 0.06 -0.13 0.66 0.12 -0.54 0.00 0.00 175.26 175.44 1de1 s PHE 33 N 1.03 3.48 -0.13 5.30 5.36 -1.26 -2.39 117.98 129.36 1de1 s PHE 33 Ca -0.10 0.84 -0.05 0.00 -0.96 0.00 0.00 56.93 56.66 1de1 s PHE 33 Cb -0.14 -2.27 0.07 0.00 -0.34 0.00 0.00 43.02 40.34 1de1 s PHE 33 CO -0.01 0.02 0.27 0.42 -1.46 0.00 0.00 175.22 174.46 1de1 s ILE 34 N -2.24 -0.43 -0.46 3.12 1.01 -0.58 -4.89 121.20 116.72 1de1 s ILE 34 Ca 0.47 0.27 -0.25 0.00 0.00 0.00 0.00 60.65 61.14 1de1 s ILE 34 Cb -0.10 -0.46 0.03 0.00 0.01 0.00 0.00 42.46 41.93 1de1 s ILE 34 CO 0.31 0.11 0.88 0.54 0.00 0.00 0.00 174.94 176.78 1de1 s ASN 35 N 2.43 6.46 -1.27 3.58 2.20 -1.26 -2.47 114.94 124.61 1de1 s ASN 35 Ca 0.01 0.01 -0.07 0.00 -0.94 0.00 0.00 52.86 51.87 1de1 s ASN 35 Cb -0.12 -2.43 0.01 0.00 -2.00 0.00 0.00 41.25 36.71 1de1 s ASN 35 CO -0.09 -1.02 2.73 2.30 -2.94 0.00 0.00 177.10 178.08 1de1 n ILE 36 N 6.32 4.58 -2.83 0.54 -5.35 -0.74 -4.55 119.36 117.33 1de1 n ILE 36 Ca 0.05 -3.35 0.01 0.00 -0.27 0.00 0.00 62.75 59.19 1de1 n ILE 36 Cb 0.48 -2.23 0.00 0.00 -1.74 0.00 0.00 39.64 36.16 1de1 n ILE 36 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 1de1 s MET 37 N 0.20 0.28 0.51 6.28 1.75 -1.26 -3.12 119.30 123.93 1de1 s MET 37 Ca 0.61 -0.10 0.29 0.00 -1.25 0.00 0.00 55.69 55.25 1de1 s MET 37 Cb 0.21 0.03 1.27 0.00 2.84 0.00 0.00 34.83 39.19 1de1 s MET 37 CO -0.09 -0.41 1.96 -1.00 -0.65 0.00 0.00 175.02 174.84 1de1 h PRO 38 N 5.61 0.00 -3.35 4.11 0.13 -1.80 -3.44 132.00 133.26 1de1 h PRO 38 Ca -0.02 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.94 1de1 h PRO 38 Cb 1.22 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.11 1de1 h PRO 38 CO -0.05 0.11 -0.50 -2.00 -0.23 0.00 0.00 178.00 175.34 1de1 s GLU 39 N -3.79 0.30 0.00 0.86 2.56 -1.26 -5.01 118.70 112.36 1de1 s GLU 39 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.97 55.02 1de1 s GLU 39 Cb 0.10 0.14 0.00 0.00 2.00 0.00 0.00 34.13 36.37 1de1 s GLU 39 CO 0.58 -0.05 0.88 0.36 -0.56 0.00 0.00 175.26 176.47 1de1 n LYS 40 N 2.50 0.00 -0.01 4.30 2.85 -1.26 -2.19 118.16 124.35 1de1 n LYS 40 Ca -0.16 0.39 -0.08 0.00 -1.05 0.00 0.00 58.31 57.41 1de1 n LYS 40 Cb 0.58 -1.57 -0.07 0.00 -0.65 0.00 0.00 35.03 33.33 1de1 n LYS 40 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1de1 h GLY 41 N 0.00 -0.10 -4.98 2.58 0.00 -1.96 -3.48 103.07 95.13 1de1 h GLY 41 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 47.33 47.23 1de1 h GLY 41 CO 0.00 -0.03 -0.32 0.14 0.00 0.00 0.00 176.54 176.32 1de1 s VAL 42 N -2.41 0.03 1.22 4.60 1.01 -0.93 -5.16 120.40 118.75 1de1 s VAL 42 Ca -0.10 -0.21 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 1de1 s VAL 42 Cb -0.01 -0.51 0.29 0.00 0.00 0.00 0.00 36.38 36.15 1de1 s VAL 42 CO 0.37 -0.12 0.85 0.49 0.00 0.00 0.00 175.10 176.69 1de1 n PHE 43 N 2.22 -1.69 -2.86 5.22 3.72 -1.26 -4.06 117.46 118.75 1de1 n PHE 43 Ca -0.17 -0.22 -0.43 0.00 -0.05 0.00 0.00 57.45 56.58 1de1 n PHE 43 Cb 0.57 -1.62 -0.04 0.00 -0.94 0.00 0.00 39.48 37.45 1de1 n PHE 43 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1de1 s ASP 44 N -2.36 6.27 0.59 4.37 -1.08 -1.18 -4.77 116.67 118.51 1de1 s ASP 44 Ca 0.67 -0.60 0.30 0.00 -0.52 0.00 0.00 52.55 52.40 1de1 s ASP 44 Cb -0.23 -2.42 1.75 0.00 -1.46 0.00 0.00 42.92 40.56 1de1 s ASP 44 CO 0.65 -1.28 2.17 -0.78 0.52 0.00 0.00 175.17 176.44 1de1 h ASP 45 N 9.39 0.00 0.72 -0.34 3.58 -1.94 -0.38 116.42 127.45 1de1 h ASP 45 Ca -0.27 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.14 1de1 h ASP 45 Cb 1.07 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.13 1de1 h ASP 45 CO 1.11 0.00 -0.34 -0.08 -2.88 0.00 0.00 179.24 177.05 1de1 h GLU 46 N 0.00 -0.93 -0.39 0.28 4.81 -1.99 0.87 114.58 117.24 1de1 h GLU 46 Ca 0.05 0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1de1 h GLU 46 Cb 0.28 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1de1 h GLU 46 CO -0.00 -0.60 -0.04 0.87 -0.73 0.00 0.00 179.01 178.51 1de1 h LYS 47 N -1.19 0.63 -0.10 1.92 1.57 -1.91 -2.30 116.57 115.19 1de1 h LYS 47 Ca -0.10 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.39 1de1 h LYS 47 Cb 0.76 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1de1 h LYS 47 CO 0.16 0.68 -0.49 0.82 -0.57 0.00 0.00 179.45 180.05 1de1 h ILE 48 N 0.60 1.34 0.09 1.86 1.08 -1.03 -2.52 117.51 118.92 1de1 h ILE 48 Ca 0.12 -1.72 0.01 0.00 -0.39 0.00 0.00 64.86 62.88 1de1 h ILE 48 Cb 0.43 1.81 -0.01 0.00 -3.07 0.00 0.00 36.82 35.98 1de1 h ILE 48 CO 0.02 0.51 -0.11 0.00 -0.69 0.00 0.00 178.15 177.88 1de1 h ALA 49 N 1.27 -0.20 -0.52 1.87 0.00 0.14 0.75 119.26 122.56 1de1 h ALA 49 Ca 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1de1 h ALA 49 Cb 0.95 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1de1 h ALA 49 CO 0.08 -0.63 0.15 1.49 0.00 0.00 0.00 179.25 180.33 1de1 h GLU 50 N -0.24 0.78 0.29 0.00 4.81 -1.50 -2.74 114.58 115.97 1de1 h GLU 50 Ca 0.01 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1de1 h GLU 50 Cb 0.25 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 1de1 h GLU 50 CO -0.05 0.69 -0.16 1.25 -0.73 0.00 0.00 179.01 180.01 1de1 h LEU 51 N 0.76 -0.40 -0.74 1.64 6.46 -0.94 -0.08 115.31 122.02 1de1 h LEU 51 Ca 0.17 0.02 0.14 0.00 -0.12 0.00 0.00 57.88 58.09 1de1 h LEU 51 Cb 0.25 0.11 -0.09 0.00 -0.73 0.00 0.00 40.66 40.20 1de1 h LEU 51 CO -0.01 -0.27 0.28 -0.07 -0.62 0.00 0.00 178.44 177.76 1de1 h LEU 52 N -0.43 0.25 -0.04 2.25 3.38 -0.67 -0.19 115.31 119.87 1de1 h LEU 52 Ca -0.03 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1de1 h LEU 52 Cb 0.34 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1de1 h LEU 52 CO 0.04 0.09 0.01 0.74 0.09 0.00 0.00 178.44 179.42 1de1 h THR 53 N 0.42 1.17 -0.76 0.22 2.02 -1.20 -2.68 112.91 112.11 1de1 h THR 53 Ca 0.41 -0.52 0.13 0.00 0.77 0.00 0.00 66.41 67.20 1de1 h THR 53 Cb 0.62 1.44 -0.05 0.00 -1.74 0.00 0.00 68.15 68.42 1de1 h THR 53 CO -0.41 0.14 0.50 0.11 0.37 0.00 0.00 175.52 176.24 1de1 h LYS 54 N -0.13 0.49 0.74 6.66 1.79 -0.04 -2.69 116.57 123.40 1de1 h LYS 54 Ca 0.01 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 1de1 h LYS 54 Cb 0.22 -0.11 0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1de1 h LYS 54 CO -0.00 0.32 -0.36 -0.07 -1.08 0.00 0.00 179.45 178.27 1de1 h LEU 55 N 0.50 -0.84 0.00 2.94 3.38 -0.75 -3.43 115.31 117.12 1de1 h LEU 55 Ca 0.37 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1de1 h LEU 55 Cb 0.72 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1de1 h LEU 55 CO -0.13 -0.56 0.00 0.61 0.09 0.00 0.00 178.44 178.46 1de1 n GLY 56 N -1.17 0.30 1.29 0.83 0.00 -1.01 -5.02 105.19 100.41 1de1 n GLY 56 Ca -0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 1de1 n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1de1 n ARG 57 N 0.00 0.24 -0.82 1.61 3.00 -1.19 -4.99 116.66 114.51 1de1 n ARG 57 Ca 0.00 -1.16 0.07 0.00 -0.01 0.00 0.00 57.85 56.75 1de1 n ARG 57 Cb 0.00 1.05 0.38 0.00 0.00 0.00 0.00 32.46 33.90 1de1 n ARG 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1de1 n ASP 58 N -2.12 5.40 -4.46 0.55 9.92 -1.26 -3.86 116.55 120.72 1de1 n ASP 58 Ca 0.01 -2.83 -0.25 0.00 -0.53 0.00 0.00 54.79 51.20 1de1 n ASP 58 Cb 0.23 -0.66 -0.10 0.00 -0.64 0.00 0.00 41.12 39.94 1de1 n ASP 58 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1de1 s THR 59 N -2.57 2.43 -0.38 -3.53 -1.32 -1.26 -5.07 115.64 103.94 1de1 s THR 59 Ca 0.52 -2.31 0.01 0.00 -1.21 0.00 0.00 61.69 58.69 1de1 s THR 59 Cb 0.39 -2.25 0.11 0.00 -1.51 0.00 0.00 72.50 69.23 1de1 s THR 59 CO 0.16 -0.34 0.13 0.00 -2.21 0.00 0.00 174.62 172.36 1de1 s GLN 60 N -3.31 1.74 -1.17 7.08 -2.07 -1.26 -4.99 119.66 115.67 1de1 s GLN 60 Ca 0.28 -1.86 -0.20 0.00 -1.82 0.00 0.00 55.36 51.75 1de1 s GLN 60 Cb -0.06 -3.39 0.05 0.00 -1.09 0.00 0.00 33.01 28.52 1de1 s GLN 60 CO 0.14 -1.01 1.66 0.96 -1.32 0.00 0.00 175.29 175.72 1de1 s ILE 61 N 1.00 3.98 -1.73 3.63 -4.36 -1.26 -4.08 121.20 118.38 1de1 s ILE 61 Ca 0.10 -1.36 0.00 0.00 -0.26 0.00 0.00 60.65 59.13 1de1 s ILE 61 Cb -0.21 -5.05 0.00 0.00 1.25 0.00 0.00 42.46 38.45 1de1 s ILE 61 CO -0.06 -1.88 0.00 0.61 0.24 0.00 0.00 174.94 173.85 1de1 n GLY 62 N 6.04 0.27 3.70 6.27 0.00 -1.26 -4.89 105.19 115.33 1de1 n GLY 62 Ca 0.42 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.01 1de1 n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1de1 n LEU 63 N -2.71 3.67 -4.47 0.99 7.99 -1.26 -5.00 117.00 116.20 1de1 n LEU 63 Ca -0.21 1.16 -0.23 0.00 -0.01 0.00 0.00 56.01 56.72 1de1 n LEU 63 Cb 0.65 -1.50 -0.11 0.00 -0.11 0.00 0.00 43.42 42.35 1de1 n LEU 63 CO 0.27 -0.24 -0.33 0.42 -1.51 0.00 0.00 177.39 176.00 1de1 s THR 64 N -0.21 1.62 0.19 -5.08 -4.23 -1.26 -5.12 115.64 101.55 1de1 s THR 64 Ca 0.64 -2.08 0.11 0.00 -1.18 0.00 0.00 61.69 59.19 1de1 s THR 64 Cb -0.58 -2.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.57 1de1 s THR 64 CO 0.51 -0.16 -0.20 -0.04 -0.54 0.00 0.00 174.62 174.20 1de1 s MET 65 N -3.76 1.68 0.18 3.99 -1.94 -1.26 -4.04 119.30 114.15 1de1 s MET 65 Ca 0.33 -1.45 -0.21 0.00 -1.71 0.00 0.00 55.69 52.64 1de1 s MET 65 Cb 0.06 -1.94 -0.08 0.00 2.01 0.00 0.00 34.83 34.88 1de1 s MET 65 CO 0.14 0.41 0.72 -1.25 -0.01 0.00 0.00 175.02 175.03 1de1 s PRO 66 N -2.71 4.34 -0.12 2.03 0.05 -1.26 -4.93 135.00 132.41 1de1 s PRO 66 Ca 0.22 0.94 -0.07 0.00 0.05 0.00 0.00 61.00 62.14 1de1 s PRO 66 Cb -0.08 -3.05 -0.04 0.00 0.05 0.00 0.00 34.50 31.37 1de1 s PRO 66 CO 0.11 0.49 0.15 -0.65 0.05 0.00 0.00 177.00 177.15 1de1 s GLN 67 N -1.59 3.46 0.25 4.56 -1.52 0.25 -4.58 119.66 120.49 1de1 s GLN 67 Ca 0.39 -0.11 0.08 0.00 -1.95 0.00 0.00 55.36 53.76 1de1 s GLN 67 Cb -0.19 -3.19 -0.04 0.00 -0.22 0.00 0.00 33.01 29.37 1de1 s GLN 67 CO 0.22 0.77 0.13 0.08 -0.25 0.00 0.00 175.29 176.25 1de1 s VAL 68 N -1.03 4.16 -0.05 1.09 1.01 -0.27 0.13 120.40 125.45 1de1 s VAL 68 Ca 0.15 -1.52 -0.03 0.00 0.00 0.00 0.00 61.98 60.58 1de1 s VAL 68 Cb -0.12 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.05 1de1 s VAL 68 CO 0.04 -0.33 0.12 -0.36 0.00 0.00 0.00 175.10 174.57 1de1 s PHE 69 N -2.14 -0.13 0.16 5.22 0.40 0.11 -2.62 117.98 118.98 1de1 s PHE 69 Ca 0.32 0.35 -0.33 0.00 -0.60 0.00 0.00 56.93 56.67 1de1 s PHE 69 Cb -0.08 -0.02 -0.15 0.00 0.51 0.00 0.00 43.02 43.28 1de1 s PHE 69 CO 0.23 -0.10 1.26 0.00 0.70 0.00 0.00 175.22 177.31 1de1 n ALA 70 N 3.52 -0.41 0.30 5.36 0.00 0.67 -1.52 120.51 128.42 1de1 n ALA 70 Ca -0.18 0.47 0.17 0.00 0.00 0.00 0.00 53.44 53.89 1de1 n ALA 70 Cb 0.56 -2.09 0.88 0.00 0.00 0.00 0.00 19.45 18.79 1de1 n ALA 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1de1 h PRO 71 N 3.89 0.00 0.00 0.00 0.11 -1.88 -3.06 132.00 131.06 1de1 h PRO 71 Ca -0.44 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.51 1de1 h PRO 71 Cb 1.33 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.30 1de1 h PRO 71 CO 0.74 0.00 -0.25 -0.25 -0.21 0.00 0.00 178.00 178.02 1de1 n ASP 72 N -3.09 -1.33 0.00 -2.05 8.00 -1.26 -4.75 116.55 112.07 1de1 n ASP 72 Ca -0.01 -2.11 0.00 0.00 0.71 0.00 0.00 54.79 53.38 1de1 n ASP 72 Cb 0.35 0.61 0.00 0.00 -0.02 0.00 0.00 41.12 42.06 1de1 n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1de1 n GLY 73 N -1.31 2.99 2.13 0.44 0.00 -1.16 -5.19 105.19 103.09 1de1 n GLY 73 Ca -0.18 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 1de1 n GLY 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1de1 n SER 74 N 0.00 -0.60 -4.68 1.61 3.41 -1.26 -4.82 113.62 107.28 1de1 n SER 74 Ca 0.00 -2.37 -0.44 0.00 -0.26 0.00 0.00 58.87 55.80 1de1 n SER 74 Cb 0.00 1.28 -0.04 0.00 -0.26 0.00 0.00 64.21 65.19 1de1 n SER 74 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1de1 n HIS 75 N -0.40 2.47 -0.08 7.33 -0.00 -1.26 -0.24 115.22 123.04 1de1 n HIS 75 Ca 0.04 -0.10 -0.23 0.00 0.46 0.00 0.00 57.72 57.89 1de1 n HIS 75 Cb 0.39 -2.70 -0.12 0.00 -0.12 0.00 0.00 29.99 27.44 1de1 n HIS 75 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1de1 n ILE 76 N 4.82 1.61 0.00 3.57 5.41 -1.08 -4.86 119.36 128.83 1de1 n ILE 76 Ca 0.20 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.64 1de1 n ILE 76 Cb 0.35 -1.89 0.00 0.00 -0.71 0.00 0.00 39.64 37.39 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 1.64 0.65 0.00 7.39 0.00 -1.22 -4.46 105.19 109.19 1de1 n GLY 77 Ca -0.36 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.66 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 1.31 0.00 -0.02 0.00 -1.26 -1.12 105.19 104.11 1de1 n GLY 78 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1de1 n GLY 78 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1de1 n PHE 79 N 0.00 0.00 -0.30 1.61 -0.00 -1.26 -1.09 117.46 116.42 1de1 n PHE 79 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.56 1de1 n PHE 79 Cb 0.00 -0.49 0.28 0.00 -0.00 0.00 0.00 39.48 39.26 1de1 n PHE 79 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1de1 h ASP 80 N 0.00 0.35 -0.47 -2.13 1.82 -1.98 0.89 116.42 114.90 1de1 h ASP 80 Ca 0.00 0.14 -0.04 0.00 -0.39 0.00 0.00 57.03 56.74 1de1 h ASP 80 Cb 0.00 0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.10 1de1 h ASP 80 CO 0.00 0.05 0.15 -0.61 -1.61 0.00 0.00 179.24 177.22 1de1 h GLN 81 N 0.44 0.72 -0.24 0.28 4.15 -1.90 -2.81 115.11 115.75 1de1 h GLN 81 Ca 0.52 -0.16 -0.18 0.00 0.77 0.00 0.00 58.65 59.61 1de1 h GLN 81 Cb 0.93 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.52 1de1 h GLN 81 CO -0.49 0.69 -0.55 1.25 -1.93 0.00 0.00 178.83 177.80 1de1 h LEU 82 N 0.62 0.90 -1.60 -2.39 6.46 0.86 -2.90 115.31 117.26 1de1 h LEU 82 Ca 0.15 -0.56 0.22 0.00 -0.12 0.00 0.00 57.88 57.58 1de1 h LEU 82 Cb 0.27 -0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 39.87 1de1 h LEU 82 CO -0.00 1.29 0.62 0.03 -0.62 0.00 0.00 178.44 179.75 1de1 h ARG 83 N 0.54 0.31 -0.31 1.25 3.08 0.75 1.37 114.38 121.37 1de1 h ARG 83 Ca -0.00 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 1de1 h ARG 83 Cb 1.16 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 1de1 h ARG 83 CO 0.12 0.20 -0.25 0.93 -1.07 0.00 0.00 179.97 179.90 1de1 h GLU 84 N 0.32 0.61 -0.33 0.04 5.08 -1.30 1.05 114.58 120.05 1de1 h GLU 84 Ca 0.48 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1de1 h GLU 84 Cb 1.33 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 1de1 h GLU 84 CO -0.16 0.81 0.05 -0.92 -1.00 0.00 0.00 179.01 177.80 1de1 h TYR 85 N 0.53 0.49 0.00 4.33 5.03 0.19 -3.32 116.97 124.22 1de1 h TYR 85 Ca 0.07 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1de1 h TYR 85 Cb 0.72 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.85 1de1 h TYR 85 CO 0.03 0.45 0.00 1.19 -1.32 0.00 0.00 178.16 178.51 1de1 n PHE 86 N -4.33 0.00 1.58 -3.82 3.72 -0.25 -5.11 117.46 109.24 1de1 n PHE 86 Ca 0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.54 1de1 n PHE 86 Cb 0.20 -0.31 0.75 0.00 -0.94 0.00 0.00 39.48 39.18 1de1 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34