#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 2.70 -0.19 1.12 0.40 -0.77 -3.85 117.98 117.39 1de1 s PHE 2 Ca 0.00 1.53 0.01 0.00 -0.60 0.00 0.00 56.93 57.87 1de1 s PHE 2 Cb 0.00 -3.37 0.03 0.00 0.51 0.00 0.00 43.02 40.19 1de1 s PHE 2 CO 0.00 -1.68 -0.18 0.15 0.70 0.00 0.00 175.22 174.21 1de1 s LYS 3 N -3.04 2.84 -0.23 0.44 3.01 -0.58 -1.06 119.74 121.11 1de1 s LYS 3 Ca 0.70 -0.89 -0.07 0.00 -1.01 0.00 0.00 55.97 54.69 1de1 s LYS 3 Cb -0.27 -2.59 -0.03 0.00 -1.01 0.00 0.00 37.83 33.92 1de1 s LYS 3 CO 0.32 -0.27 0.07 0.08 0.51 0.00 0.00 175.35 176.06 1de1 s VAL 4 N 1.27 4.47 -0.56 3.17 1.01 -0.95 0.59 120.40 129.40 1de1 s VAL 4 Ca 0.03 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.73 1de1 s VAL 4 Cb -0.14 -3.07 0.14 0.00 0.00 0.00 0.00 36.38 33.30 1de1 s VAL 4 CO -0.12 0.37 0.52 -0.31 0.00 0.00 0.00 175.10 175.56 1de1 s TYR 5 N 1.28 3.28 0.00 5.22 1.51 0.41 0.58 117.35 129.63 1de1 s TYR 5 Ca 0.05 -1.33 0.00 0.00 -1.01 0.00 0.00 57.07 54.78 1de1 s TYR 5 Cb -0.15 -3.80 0.00 0.00 -0.11 0.00 0.00 41.96 37.90 1de1 s TYR 5 CO 0.04 -1.02 0.00 0.41 -1.11 0.00 0.00 175.55 173.87 1de1 n GLY 6 N 5.17 3.21 2.78 0.71 0.00 -1.09 0.12 105.19 116.08 1de1 n GLY 6 Ca -0.12 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 0.33 1.74 -0.24 1.61 1.51 -1.26 -2.75 117.35 118.29 1de1 s TYR 7 Ca 0.00 -1.58 0.14 0.00 -1.01 0.00 0.00 57.07 54.62 1de1 s TYR 7 Cb 0.00 -1.58 0.58 0.00 -0.11 0.00 0.00 41.96 40.86 1de1 s TYR 7 CO 0.00 -0.80 1.53 -0.40 -1.11 0.00 0.00 175.55 174.77 1de1 n ASP 8 N 4.84 3.87 -4.77 2.29 5.68 -1.26 -4.75 116.55 122.46 1de1 n ASP 8 Ca -0.05 -3.22 -0.29 0.00 -0.50 0.00 0.00 54.79 50.74 1de1 n ASP 8 Cb 0.44 -0.61 -0.06 0.00 -1.14 0.00 0.00 41.12 39.74 1de1 n ASP 8 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1de1 s SER 9 N -1.83 4.29 0.00 -1.12 0.15 -1.26 -5.01 113.70 108.91 1de1 s SER 9 Ca 0.46 -1.37 0.12 0.00 0.70 0.00 0.00 55.95 55.86 1de1 s SER 9 Cb 0.38 0.12 0.42 0.00 -1.71 0.00 0.00 66.02 65.23 1de1 s SER 9 CO 0.08 -0.78 1.32 -3.20 1.20 0.00 0.00 173.24 171.86 1de1 n ASN 10 N -1.33 1.41 0.08 5.45 5.15 -1.26 -3.39 115.26 121.37 1de1 n ASN 10 Ca -0.09 -1.89 0.12 0.00 -0.60 0.00 0.00 54.58 52.12 1de1 n ASN 10 Cb 0.66 -0.15 0.15 0.00 -0.53 0.00 0.00 39.78 39.91 1de1 n ASN 10 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1de1 h ILE 11 N 1.63 0.00 -2.60 -1.44 1.08 -1.96 -3.46 117.51 110.76 1de1 h ILE 11 Ca 0.00 -0.63 -0.10 0.00 -0.39 0.00 0.00 64.86 63.74 1de1 h ILE 11 Cb 0.37 1.24 -0.21 0.00 -3.07 0.00 0.00 36.82 35.15 1de1 h ILE 11 CO 0.00 0.00 -0.12 -2.28 -0.69 0.00 0.00 178.15 175.06 1de1 s HIS 12 N -3.21 -0.45 0.74 1.37 2.46 -1.22 -4.97 115.29 110.02 1de1 s HIS 12 Ca 0.05 0.95 -0.11 0.00 0.47 0.00 0.00 55.06 56.42 1de1 s HIS 12 Cb 0.12 0.20 0.04 0.00 -0.13 0.00 0.00 32.58 32.81 1de1 s HIS 12 CO 0.72 -0.36 1.12 0.21 -2.47 0.00 0.00 174.74 173.96 1de1 s LYS 13 N -0.50 2.50 0.00 2.88 2.36 -1.26 -4.54 119.74 121.18 1de1 s LYS 13 Ca -0.06 0.29 0.00 0.00 -2.55 0.00 0.00 55.97 53.65 1de1 s LYS 13 Cb -0.03 -2.01 0.00 0.00 -1.05 0.00 0.00 37.83 34.74 1de1 s LYS 13 CO 0.04 -1.25 0.00 0.00 1.55 0.00 0.00 175.35 175.69 1de1 n VAL 15 N 0.00 1.70 0.28 0.00 0.24 -1.26 -4.09 118.33 115.19 1de1 n VAL 15 Ca 0.00 -0.71 0.13 0.00 -2.04 0.00 0.00 64.34 61.72 1de1 n VAL 15 Cb 0.00 -1.42 0.32 0.00 -1.47 0.00 0.00 33.84 31.28 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 0.04 0.00 -0.42 6.34 -1.99 -1.98 -3.08 116.97 115.87 1de1 h TYR 16 Ca -0.38 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.29 1de1 h TYR 16 Cb 2.03 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.74 1de1 h TYR 16 CO 0.04 0.00 0.03 0.00 -0.00 0.00 0.00 178.16 178.24 1de1 h ASP 18 N 0.57 0.78 -0.40 0.00 3.58 -1.73 -2.76 116.42 116.46 1de1 h ASP 18 Ca 0.12 -0.55 -0.13 0.00 0.42 0.00 0.00 57.03 56.90 1de1 h ASP 18 Cb 0.44 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1de1 h ASP 18 CO 0.02 1.34 -0.24 0.78 -2.88 0.00 0.00 179.24 178.25 1de1 h ASN 19 N 0.41 0.91 -0.56 2.28 4.21 -1.46 -2.95 115.58 118.42 1de1 h ASN 19 Ca -0.07 -0.42 -0.11 0.00 1.21 0.00 0.00 56.30 56.91 1de1 h ASN 19 Cb 1.47 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 38.40 1de1 h ASN 19 CO 0.16 1.13 -0.09 0.00 -1.29 0.00 0.00 177.43 177.35 1de1 h ALA 20 N 0.81 0.77 -0.26 -0.83 0.00 -0.73 -1.85 119.26 117.17 1de1 h ALA 20 Ca 0.08 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1de1 h ALA 20 Cb 0.81 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1de1 h ALA 20 CO 0.07 0.67 0.07 -0.22 0.00 0.00 0.00 179.25 179.84 1de1 h LYS 21 N 0.94 0.17 -0.24 0.00 1.63 -1.46 -1.52 116.57 116.08 1de1 h LYS 21 Ca 0.15 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.88 1de1 h LYS 21 Cb 0.66 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.24 1de1 h LYS 21 CO 0.05 0.11 -0.12 0.07 -3.45 0.00 0.00 179.45 176.11 1de1 h ARG 22 N 0.17 0.39 -0.25 1.90 0.11 -1.45 -2.32 114.38 112.94 1de1 h ARG 22 Ca 0.12 -0.10 0.05 0.00 0.10 0.00 0.00 59.98 60.15 1de1 h ARG 22 Cb 0.11 -0.05 -0.04 0.00 1.11 0.00 0.00 29.97 31.10 1de1 h ARG 22 CO -0.14 0.51 -0.04 1.25 0.10 0.00 0.00 179.97 181.65 1de1 h LEU 23 N 0.37 -0.18 -0.18 0.08 7.12 -0.42 0.22 115.31 122.32 1de1 h LEU 23 Ca 0.07 0.07 -0.02 0.00 0.13 0.00 0.00 57.88 58.13 1de1 h LEU 23 Cb 0.43 0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.69 1de1 h LEU 23 CO 0.02 -0.06 0.05 -0.07 -0.13 0.00 0.00 178.44 178.25 1de1 h LEU 24 N 0.03 0.27 -1.31 2.25 3.38 -1.18 0.14 115.31 118.89 1de1 h LEU 24 Ca 0.12 -0.22 0.14 0.00 0.09 0.00 0.00 57.88 58.01 1de1 h LEU 24 Cb 0.17 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 1de1 h LEU 24 CO -0.23 0.42 0.57 0.74 0.09 0.00 0.00 178.44 180.02 1de1 h THR 25 N 0.11 0.84 0.00 0.22 2.02 -0.95 0.43 112.91 115.58 1de1 h THR 25 Ca 0.06 -0.23 -0.15 0.00 0.77 0.00 0.00 66.41 66.86 1de1 h THR 25 Cb 0.25 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 1de1 h THR 25 CO -0.00 0.12 -0.69 0.58 0.37 0.00 0.00 175.52 175.90 1de1 h VAL 26 N 0.68 1.29 0.00 3.16 2.07 -0.15 -3.07 116.25 120.23 1de1 h VAL 26 Ca 0.44 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 65.40 1de1 h VAL 26 Cb 0.70 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1de1 h VAL 26 CO -0.20 0.68 -0.18 1.17 0.02 0.00 0.00 177.57 179.06 1de1 n LYS 27 N -3.42 0.09 -2.43 1.57 3.00 0.88 -4.96 118.16 112.89 1de1 n LYS 27 Ca 0.00 0.05 -0.08 0.00 -0.00 0.00 0.00 58.31 58.29 1de1 n LYS 27 Cb 0.76 -1.59 0.04 0.00 0.00 0.00 0.00 35.03 34.24 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 -1.58 -4.18 1.64 4.76 0.11 -5.05 118.16 112.13 1de1 n LYS 28 Ca 0.06 0.42 -0.17 0.00 -2.87 0.00 0.00 58.31 55.75 1de1 n LYS 28 Cb 0.37 -3.73 -0.15 0.00 -1.84 0.00 0.00 35.03 29.68 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 -3.90 0.53 0.09 1.97 1.11 -1.05 -5.05 119.66 113.37 1de1 s GLN 29 Ca 0.17 -0.18 -0.29 0.00 0.01 0.00 0.00 55.36 55.07 1de1 s GLN 29 Cb -0.02 -0.53 -0.06 0.00 -1.01 0.00 0.00 33.01 31.39 1de1 s GLN 29 CO 0.36 0.08 0.93 -1.25 0.01 0.00 0.00 175.29 175.42 1de1 s PRO 30 N 0.09 4.66 0.28 2.91 0.04 -1.26 -4.55 135.00 137.17 1de1 s PRO 30 Ca -0.01 1.38 -0.20 0.00 0.04 0.00 0.00 61.00 62.21 1de1 s PRO 30 Cb -0.05 -3.38 0.02 0.00 0.04 0.00 0.00 34.50 31.13 1de1 s PRO 30 CO -0.00 0.21 0.70 -0.59 0.04 0.00 0.00 177.00 177.36 1de1 s PHE 31 N 0.05 -0.16 -0.04 0.56 -0.71 -1.26 -1.85 117.98 114.57 1de1 s PHE 31 Ca 0.46 -0.29 -0.06 0.00 -1.04 0.00 0.00 56.93 55.99 1de1 s PHE 31 Cb -0.23 0.67 0.01 0.00 -1.21 0.00 0.00 43.02 42.27 1de1 s PHE 31 CO 0.29 -1.22 0.16 -2.00 -1.34 0.00 0.00 175.22 171.10 1de1 s GLU 32 N -3.92 0.27 -0.03 1.99 2.12 -0.23 -4.87 118.70 114.03 1de1 s GLU 32 Ca 0.12 0.06 -0.20 0.00 0.36 0.00 0.00 54.97 55.31 1de1 s GLU 32 Cb -0.06 0.12 -0.05 0.00 0.26 0.00 0.00 34.13 34.41 1de1 s GLU 32 CO 0.07 -0.05 0.56 0.12 -0.54 0.00 0.00 175.26 175.42 1de1 s PHE 33 N -0.31 3.64 -0.30 5.30 2.19 -1.26 -2.25 117.98 124.99 1de1 s PHE 33 Ca -0.04 1.11 -0.01 0.00 0.33 0.00 0.00 56.93 58.32 1de1 s PHE 33 Cb -0.03 -2.58 0.05 0.00 -1.31 0.00 0.00 43.02 39.15 1de1 s PHE 33 CO 0.01 0.32 -0.01 0.42 1.83 0.00 0.00 175.22 177.78 1de1 s ILE 34 N -0.01 2.88 0.15 3.12 1.01 0.19 -4.90 121.20 123.64 1de1 s ILE 34 Ca 0.30 -1.42 -0.30 0.00 0.00 0.00 0.00 60.65 59.22 1de1 s ILE 34 Cb -0.17 -2.66 -0.07 0.00 0.01 0.00 0.00 42.46 39.56 1de1 s ILE 34 CO 0.15 -0.10 1.16 0.54 0.00 0.00 0.00 174.94 176.70 1de1 s ASN 35 N 1.23 7.15 0.00 3.58 4.22 -1.26 -2.67 114.94 127.19 1de1 s ASN 35 Ca -0.06 2.13 0.22 0.00 -2.14 0.00 0.00 52.86 53.01 1de1 s ASN 35 Cb -0.20 -2.60 -0.10 0.00 1.28 0.00 0.00 41.25 39.63 1de1 s ASN 35 CO -0.02 -0.34 1.01 2.30 -2.04 0.00 0.00 177.10 178.01 1de1 n ILE 36 N 2.81 0.00 -3.92 0.54 -5.35 -1.11 -4.78 119.36 107.55 1de1 n ILE 36 Ca 0.05 -0.16 -0.30 0.00 -0.27 0.00 0.00 62.75 62.07 1de1 n ILE 36 Cb 0.46 1.15 -0.14 0.00 -1.74 0.00 0.00 39.64 39.36 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 -2.68 1.52 0.40 6.28 1.75 -1.26 0.13 119.30 125.44 1de1 s MET 37 Ca 0.14 -2.04 0.22 0.00 -1.25 0.00 0.00 55.69 52.76 1de1 s MET 37 Cb 0.17 -2.96 0.73 0.00 2.84 0.00 0.00 34.83 35.61 1de1 s MET 37 CO 0.69 -1.03 1.75 -1.00 -0.65 0.00 0.00 175.02 174.78 1de1 h PRO 38 N 7.18 0.00 -3.84 4.11 0.13 -1.87 -3.45 132.00 134.27 1de1 h PRO 38 Ca -0.06 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.89 1de1 h PRO 38 Cb 0.96 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.87 1de1 h PRO 38 CO 0.56 0.29 -0.67 -1.83 -0.23 0.00 0.00 178.00 176.13 1de1 s GLU 39 N -3.54 0.27 0.00 0.86 -1.05 -1.25 -5.01 118.70 108.98 1de1 s GLU 39 Ca 0.01 -0.43 0.06 0.00 -0.15 0.00 0.00 54.97 54.46 1de1 s GLU 39 Cb 0.10 0.10 0.30 0.00 -0.44 0.00 0.00 34.13 34.19 1de1 s GLU 39 CO 0.66 -0.05 1.15 1.17 0.95 0.00 0.00 175.26 179.15 1de1 n LYS 40 N 1.91 0.03 -0.06 -4.83 4.81 -1.26 -2.82 118.16 115.95 1de1 n LYS 40 Ca -0.21 0.33 -0.06 0.00 -0.87 0.00 0.00 58.31 57.50 1de1 n LYS 40 Cb 0.56 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 34.06 1de1 n LYS 40 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1de1 h GLY 41 N 1.10 0.00 -4.95 3.14 0.00 -1.98 -3.48 103.07 96.89 1de1 h GLY 41 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1de1 h GLY 41 CO 0.00 0.00 -0.36 0.14 0.00 0.00 0.00 176.54 176.32 1de1 s VAL 42 N -1.84 0.03 1.06 4.60 1.01 -1.13 -5.16 120.40 118.98 1de1 s VAL 42 Ca -0.08 -0.28 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 1de1 s VAL 42 Cb -0.01 -0.48 0.22 0.00 0.00 0.00 0.00 36.38 36.12 1de1 s VAL 42 CO 0.26 -0.15 1.08 -0.36 0.00 0.00 0.00 175.10 175.93 1de1 s PHE 43 N -0.62 1.79 -1.18 5.22 0.08 -1.26 -3.95 117.98 118.06 1de1 s PHE 43 Ca -0.07 0.95 -0.20 0.00 0.12 0.00 0.00 56.93 57.73 1de1 s PHE 43 Cb -0.04 -3.25 0.05 0.00 -0.57 0.00 0.00 43.02 39.21 1de1 s PHE 43 CO 0.02 -3.23 1.64 0.34 -0.10 0.00 0.00 175.22 173.89 1de1 s ASP 44 N -3.32 6.59 0.57 1.36 -1.08 0.36 -4.80 116.67 116.34 1de1 s ASP 44 Ca 0.66 -1.99 0.31 0.00 -0.52 0.00 0.00 52.55 51.02 1de1 s ASP 44 Cb -0.19 -2.58 1.45 0.00 -1.46 0.00 0.00 42.92 40.15 1de1 s ASP 44 CO 0.59 -1.42 1.84 -0.78 0.52 0.00 0.00 175.17 175.92 1de1 h ASP 45 N 8.61 0.00 -0.14 -0.34 3.58 -1.90 -0.24 116.42 126.00 1de1 h ASP 45 Ca 0.34 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.82 1de1 h ASP 45 Cb 0.93 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.95 1de1 h ASP 45 CO 1.43 0.00 -0.05 -0.08 -2.88 0.00 0.00 179.24 177.66 1de1 h GLU 46 N 0.00 -0.03 -0.15 0.28 4.81 -1.97 0.28 114.58 117.79 1de1 h GLU 46 Ca 0.36 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.37 1de1 h GLU 46 Cb 1.64 0.01 0.01 0.00 0.63 0.00 0.00 28.75 31.04 1de1 h GLU 46 CO -0.00 -0.02 -0.78 0.87 -0.73 0.00 0.00 179.01 178.34 1de1 h LYS 47 N -0.03 0.80 -0.72 1.92 1.79 -1.48 -2.99 116.57 115.86 1de1 h LYS 47 Ca 0.07 -0.66 0.13 0.00 -2.18 0.00 0.00 60.65 58.01 1de1 h LYS 47 Cb 0.14 0.14 -0.09 0.00 -1.58 0.00 0.00 32.23 30.84 1de1 h LYS 47 CO -0.16 1.26 0.29 0.82 -1.08 0.00 0.00 179.45 180.58 1de1 h ILE 48 N 0.54 0.70 0.54 1.86 1.08 -0.99 0.95 117.51 122.19 1de1 h ILE 48 Ca -0.05 -0.16 -0.03 0.00 -0.39 0.00 0.00 64.86 64.23 1de1 h ILE 48 Cb 1.42 0.21 0.01 0.00 -3.07 0.00 0.00 36.82 35.38 1de1 h ILE 48 CO 0.16 0.08 -0.26 0.00 -0.69 0.00 0.00 178.15 177.45 1de1 h ALA 49 N 1.51 -0.72 -0.60 1.87 0.00 -0.96 -1.82 119.26 118.54 1de1 h ALA 49 Ca 0.39 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1de1 h ALA 49 Cb 0.55 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1de1 h ALA 49 CO -0.37 -0.80 0.40 1.49 0.00 0.00 0.00 179.25 179.97 1de1 h GLU 50 N -0.94 0.56 0.67 0.00 4.81 -1.29 -2.50 114.58 115.89 1de1 h GLU 50 Ca -0.07 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1de1 h GLU 50 Cb 0.62 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.88 1de1 h GLU 50 CO 0.12 0.37 -0.33 1.25 -0.73 0.00 0.00 179.01 179.69 1de1 h LEU 51 N 0.58 -0.78 -0.91 1.64 7.12 0.11 0.20 115.31 123.26 1de1 h LEU 51 Ca 0.26 0.03 0.25 0.00 0.13 0.00 0.00 57.88 58.54 1de1 h LEU 51 Cb 0.28 0.21 -0.16 0.00 -0.53 0.00 0.00 40.66 40.45 1de1 h LEU 51 CO -0.07 -0.55 0.14 -0.07 -0.13 0.00 0.00 178.44 177.75 1de1 h LEU 52 N -0.91 -0.22 -0.76 2.25 3.38 -0.88 1.58 115.31 119.76 1de1 h LEU 52 Ca -0.09 0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 1de1 h LEU 52 Cb 0.70 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1de1 h LEU 52 CO 0.15 -0.25 -0.50 0.74 0.09 0.00 0.00 178.44 178.67 1de1 h THR 53 N 0.10 1.34 -0.73 0.22 2.02 -1.31 -3.06 112.91 111.50 1de1 h THR 53 Ca 0.56 -1.73 -0.07 0.00 0.77 0.00 0.00 66.41 65.95 1de1 h THR 53 Cb 1.16 1.80 -0.03 0.00 -1.74 0.00 0.00 68.15 69.34 1de1 h THR 53 CO -0.76 0.52 0.20 0.50 0.37 0.00 0.00 175.52 176.34 1de1 h LYS 54 N 0.25 1.15 0.30 6.66 3.64 0.53 -3.28 116.57 125.81 1de1 h LYS 54 Ca 0.01 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 1de1 h LYS 54 Cb 0.96 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1de1 h LYS 54 CO 0.08 0.99 -0.15 -0.07 -2.27 0.00 0.00 179.45 178.03 1de1 h LEU 55 N 1.09 -0.35 0.00 5.20 4.07 -0.62 -3.45 115.31 121.24 1de1 h LEU 55 Ca 0.23 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.20 1de1 h LEU 55 Cb 0.35 0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.18 1de1 h LEU 55 CO -0.00 -0.25 0.00 0.61 -1.08 0.00 0.00 178.44 177.72 1de1 n GLY 56 N -1.20 1.45 0.00 0.83 0.00 -1.21 -4.87 105.19 100.19 1de1 n GLY 56 Ca -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1de1 n GLY 56 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1de1 n ARG 57 N 0.00 2.58 -0.11 1.61 3.00 -1.26 -5.01 116.66 117.48 1de1 n ARG 57 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 1de1 n ARG 57 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 32.31 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 -0.91 0.63 -4.63 6.15 8.00 -1.26 -4.38 116.55 120.15 1de1 n ASP 58 Ca 0.00 -0.03 -0.28 0.00 0.71 0.00 0.00 54.79 55.19 1de1 n ASP 58 Cb 0.00 0.54 -0.11 0.00 -0.02 0.00 0.00 41.12 41.53 1de1 n ASP 58 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1de1 s THR 59 N -2.50 2.01 -0.41 -3.53 -1.32 -1.26 -4.95 115.64 103.67 1de1 s THR 59 Ca -0.18 -1.98 -0.03 0.00 -1.21 0.00 0.00 61.69 58.29 1de1 s THR 59 Cb 0.07 -2.99 0.11 0.00 -1.51 0.00 0.00 72.50 68.18 1de1 s THR 59 CO 0.76 0.00 0.21 0.00 -2.21 0.00 0.00 174.62 173.38 1de1 s GLN 60 N -3.72 2.01 -1.28 7.08 -2.07 -1.26 -5.02 119.66 115.40 1de1 s GLN 60 Ca 0.35 -1.84 -0.18 0.00 -1.82 0.00 0.00 55.36 51.87 1de1 s GLN 60 Cb 0.10 -3.58 0.07 0.00 -1.09 0.00 0.00 33.01 28.50 1de1 s GLN 60 CO 0.18 -1.08 1.72 0.42 -1.32 0.00 0.00 175.29 175.21 1de1 s ILE 61 N 1.11 4.10 0.00 3.63 1.01 -1.26 -3.86 121.20 125.93 1de1 s ILE 61 Ca 0.08 -1.81 0.00 0.00 0.00 0.00 0.00 60.65 58.92 1de1 s ILE 61 Cb -0.23 -5.18 0.00 0.00 0.01 0.00 0.00 42.46 37.06 1de1 s ILE 61 CO -0.04 -2.01 0.00 0.61 0.00 0.00 0.00 174.94 173.49 1de1 n GLY 62 N 5.53 3.02 3.75 6.18 0.00 -1.26 -5.04 105.19 117.36 1de1 n GLY 62 Ca 0.48 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.08 1de1 n GLY 62 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1de1 n LEU 63 N 0.00 4.40 -4.16 0.99 -0.00 -1.25 -5.00 117.00 111.99 1de1 n LEU 63 Ca 0.00 1.16 -0.12 0.00 -0.00 0.00 0.00 56.01 57.05 1de1 n LEU 63 Cb 0.00 -1.59 -0.08 0.00 -0.00 0.00 0.00 43.42 41.74 1de1 n LEU 63 CO 0.00 0.13 -0.11 -0.89 -0.00 0.00 0.00 177.39 176.51 1de1 s THR 64 N -0.25 0.00 0.31 1.96 2.01 -1.26 -4.95 115.64 113.46 1de1 s THR 64 Ca 0.62 -1.85 -0.09 0.00 0.31 0.00 0.00 61.69 60.68 1de1 s THR 64 Cb -0.50 -2.44 -0.06 0.00 0.01 0.00 0.00 72.50 69.51 1de1 s THR 64 CO 0.52 0.00 0.64 -0.04 -0.69 0.00 0.00 174.62 175.05 1de1 s MET 65 N -4.00 3.75 0.23 4.92 1.00 -1.26 -3.93 119.30 120.01 1de1 s MET 65 Ca 0.35 0.27 -0.30 0.00 0.00 0.00 0.00 55.69 56.01 1de1 s MET 65 Cb 0.04 -2.55 -0.09 0.00 0.00 0.00 0.00 34.83 32.24 1de1 s MET 65 CO 0.13 0.15 1.03 -2.14 0.00 0.00 0.00 175.02 174.20 1de1 s PRO 66 N -3.42 4.72 -0.37 2.03 0.02 -1.26 -5.06 135.00 131.67 1de1 s PRO 66 Ca 0.48 1.64 -0.13 0.00 0.02 0.00 0.00 61.00 63.01 1de1 s PRO 66 Cb -0.11 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.16 1de1 s PRO 66 CO 0.27 0.30 0.25 -0.65 -0.33 0.00 0.00 177.00 176.84 1de1 s GLN 67 N -1.03 3.22 0.48 5.54 -0.21 0.32 -4.18 119.66 123.81 1de1 s GLN 67 Ca 0.44 -0.83 -0.02 0.00 0.02 0.00 0.00 55.36 54.98 1de1 s GLN 67 Cb -0.29 -3.84 -0.01 0.00 1.00 0.00 0.00 33.01 29.88 1de1 s GLN 67 CO 0.36 -0.58 0.73 0.08 -2.12 0.00 0.00 175.29 173.76 1de1 s VAL 68 N 1.68 4.09 -0.04 1.09 1.01 -0.74 0.16 120.40 127.64 1de1 s VAL 68 Ca 0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1de1 s VAL 68 Cb -0.18 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.69 1de1 s VAL 68 CO 0.09 -0.44 0.09 -0.36 0.00 0.00 0.00 175.10 174.49 1de1 s PHE 69 N -2.66 -0.09 0.55 5.22 0.08 0.20 -2.72 117.98 118.56 1de1 s PHE 69 Ca 0.49 0.31 -0.19 0.00 0.12 0.00 0.00 56.93 57.67 1de1 s PHE 69 Cb -0.10 -0.11 -0.09 0.00 -0.57 0.00 0.00 43.02 42.15 1de1 s PHE 69 CO 0.40 -0.12 0.51 0.00 -0.10 0.00 0.00 175.22 175.92 1de1 n ALA 70 N 3.96 -1.21 0.15 5.36 0.00 0.24 -1.53 120.51 127.46 1de1 n ALA 70 Ca -0.24 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.35 1de1 n ALA 70 Cb 0.53 -1.81 0.70 0.00 0.00 0.00 0.00 19.45 18.87 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 0.32 0.00 0.00 0.00 0.11 -1.89 -1.13 132.00 129.41 1de1 h PRO 71 Ca -0.45 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 1de1 h PRO 71 Cb 1.40 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.49 1de1 h PRO 71 CO 0.47 0.00 -1.62 -0.40 -0.21 0.00 0.00 178.00 176.25 1de1 n ASP 72 N -4.31 0.48 0.00 -2.05 5.68 -1.26 -3.77 116.55 111.31 1de1 n ASP 72 Ca 0.03 0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.52 1de1 n ASP 72 Cb 0.34 0.90 0.00 0.00 -1.14 0.00 0.00 41.12 41.22 1de1 n ASP 72 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1de1 n GLY 73 N 1.35 0.80 3.50 6.12 0.00 -0.43 -5.14 105.19 111.39 1de1 n GLY 73 Ca -0.09 -0.53 0.01 0.00 0.00 0.00 0.00 46.02 45.41 1de1 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1de1 s SER 74 N 0.00 -0.91 -0.32 1.61 0.01 -1.25 -4.85 113.70 107.99 1de1 s SER 74 Ca 0.00 1.18 -0.35 0.00 1.31 0.00 0.00 55.95 58.09 1de1 s SER 74 Cb 0.00 2.01 -0.11 0.00 0.21 0.00 0.00 66.02 68.12 1de1 s SER 74 CO 0.00 -0.17 2.14 1.57 0.41 0.00 0.00 173.24 177.19 1de1 n HIS 75 N 5.25 1.69 -0.10 2.43 -0.00 -1.26 0.79 115.22 124.02 1de1 n HIS 75 Ca -0.10 0.26 -0.20 0.00 0.46 0.00 0.00 57.72 58.14 1de1 n HIS 75 Cb 0.51 -2.54 -0.11 0.00 -0.12 0.00 0.00 29.99 27.72 1de1 n HIS 75 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 1de1 h ILE 76 N 6.87 0.99 0.00 3.57 2.04 -1.85 -3.46 117.51 125.67 1de1 h ILE 76 Ca -0.30 -2.15 0.00 0.00 1.00 0.00 0.00 64.86 63.41 1de1 h ILE 76 Cb 1.31 2.28 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 1de1 h ILE 76 CO 1.01 0.34 0.00 0.61 0.00 0.00 0.00 178.15 180.10 1de1 n GLY 77 N 1.46 0.55 0.00 5.37 0.00 -1.24 -4.56 105.19 106.78 1de1 n GLY 77 Ca -0.28 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.73 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 1.26 0.02 -0.02 0.00 -1.26 -1.80 105.19 103.39 1de1 n GLY 78 Ca 0.00 -1.56 -0.01 0.00 0.00 0.00 0.00 46.02 44.45 1de1 n GLY 78 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1de1 h PHE 79 N 0.00 -0.05 -0.92 1.61 3.04 -1.96 -0.86 116.94 117.80 1de1 h PHE 79 Ca 0.00 -0.00 0.24 0.00 3.98 0.00 0.00 57.97 62.19 1de1 h PHE 79 Cb 0.00 0.02 -0.13 0.00 2.56 0.00 0.00 35.95 38.39 1de1 h PHE 79 CO 0.00 -0.03 0.41 0.22 -2.02 0.00 0.00 178.31 176.89 1de1 h ASP 80 N -0.12 0.33 -0.75 0.41 3.58 -1.99 0.77 116.42 118.66 1de1 h ASP 80 Ca -0.01 0.17 -0.06 0.00 0.42 0.00 0.00 57.03 57.55 1de1 h ASP 80 Cb 0.04 0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 1de1 h ASP 80 CO 0.01 -0.04 0.24 -0.61 -2.88 0.00 0.00 179.24 175.96 1de1 h GLN 81 N 0.37 1.17 -0.14 0.28 4.15 -1.90 -2.79 115.11 116.26 1de1 h GLN 81 Ca 0.59 -0.25 -0.13 0.00 0.77 0.00 0.00 58.65 59.63 1de1 h GLN 81 Cb 1.18 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.70 1de1 h GLN 81 CO -0.56 0.99 -0.43 1.25 -1.93 0.00 0.00 178.83 178.15 1de1 h LEU 82 N 1.12 0.61 -1.66 -2.39 5.85 0.17 -2.93 115.31 116.08 1de1 h LEU 82 Ca 0.24 -0.60 0.26 0.00 0.84 0.00 0.00 57.88 58.62 1de1 h LEU 82 Cb 0.31 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 1de1 h LEU 82 CO -0.01 1.11 0.67 -0.09 -0.34 0.00 0.00 178.44 179.78 1de1 h ARG 83 N 0.15 0.23 -0.25 1.25 2.43 0.34 1.48 114.38 120.02 1de1 h ARG 83 Ca -0.01 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.00 1de1 h ARG 83 Cb 1.05 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 1de1 h ARG 83 CO 0.09 0.15 -0.43 1.49 -1.51 0.00 0.00 179.97 179.76 1de1 h GLU 84 N 0.24 0.62 -0.30 0.20 4.81 -1.35 0.86 114.58 119.66 1de1 h GLU 84 Ca 0.52 -0.33 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 1de1 h GLU 84 Cb 1.59 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.97 1de1 h GLU 84 CO -0.15 0.93 0.00 -0.92 -0.73 0.00 0.00 179.01 178.15 1de1 h TYR 85 N 0.50 0.46 0.00 0.92 5.03 0.21 -3.32 116.97 120.77 1de1 h TYR 85 Ca 0.04 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1de1 h TYR 85 Cb 0.96 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 39.10 1de1 h TYR 85 CO 0.04 0.46 0.00 1.19 -1.32 0.00 0.00 178.16 178.53 1de1 n PHE 86 N -4.31 0.00 -0.49 -3.82 3.72 0.07 -5.11 117.46 107.53 1de1 n PHE 86 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1de1 n PHE 86 Cb 0.23 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 1de1 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34