#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 3.36 -0.09 1.12 0.40 -0.31 -2.43 117.98 120.02 1de1 s PHE 2 Ca 0.00 1.51 -0.00 0.00 -0.60 0.00 0.00 56.93 57.83 1de1 s PHE 2 Cb 0.00 -2.84 0.02 0.00 0.51 0.00 0.00 43.02 40.72 1de1 s PHE 2 CO 0.00 -0.41 -0.05 0.15 0.70 0.00 0.00 175.22 175.61 1de1 s LYS 3 N -3.85 1.22 -0.22 0.44 3.01 0.24 -0.85 119.74 119.73 1de1 s LYS 3 Ca 0.60 -0.15 -0.08 0.00 -1.01 0.00 0.00 55.97 55.34 1de1 s LYS 3 Cb -0.11 -1.34 -0.04 0.00 -1.01 0.00 0.00 37.83 35.34 1de1 s LYS 3 CO 0.27 -0.24 0.08 0.08 0.51 0.00 0.00 175.35 176.06 1de1 s VAL 4 N 1.65 4.66 -0.56 3.17 1.01 -1.05 0.14 120.40 129.42 1de1 s VAL 4 Ca 0.02 -0.06 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 1de1 s VAL 4 Cb -0.13 -3.15 0.14 0.00 0.00 0.00 0.00 36.38 33.24 1de1 s VAL 4 CO -0.06 0.38 0.52 -0.31 0.00 0.00 0.00 175.10 175.63 1de1 s TYR 5 N 1.10 3.30 0.00 5.22 1.51 0.41 -1.40 117.35 127.48 1de1 s TYR 5 Ca 0.05 -1.36 0.00 0.00 -1.01 0.00 0.00 57.07 54.75 1de1 s TYR 5 Cb -0.14 -3.80 0.00 0.00 -0.11 0.00 0.00 41.96 37.91 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 5.14 3.34 3.28 0.71 0.00 -1.02 0.99 105.19 117.63 1de1 n GLY 6 Ca -0.12 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 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 0.35 1.93 -0.90 1.61 1.51 -1.26 -1.88 117.35 118.70 1de1 s TYR 7 Ca 0.00 -0.39 0.09 0.00 -1.01 0.00 0.00 57.07 55.76 1de1 s TYR 7 Cb 0.00 -1.12 0.43 0.00 -0.11 0.00 0.00 41.96 41.16 1de1 s TYR 7 CO 0.00 0.14 1.21 -0.25 -1.11 0.00 0.00 175.55 175.54 1de1 n ASP 8 N 1.58 3.27 0.00 2.29 9.92 -1.26 -4.87 116.55 127.49 1de1 n ASP 8 Ca -0.18 -2.40 0.00 0.00 -0.53 0.00 0.00 54.79 51.69 1de1 n ASP 8 Cb 0.53 -0.53 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1de1 n ASP 8 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1de1 n SER 9 N 0.42 -0.91 -0.08 -2.24 2.88 -1.00 -4.84 113.62 107.84 1de1 n SER 9 Ca 0.15 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.56 1de1 n SER 9 Cb 0.67 -1.19 -0.08 0.00 -0.75 0.00 0.00 64.21 62.86 1de1 n SER 9 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1de1 h ASN 10 N 0.00 0.00 -0.31 -3.46 2.35 -1.99 -3.40 115.58 108.77 1de1 h ASN 10 Ca 0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 1de1 h ASN 10 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1de1 h ASN 10 CO 0.00 1.04 0.00 -0.38 -1.65 0.00 0.00 177.43 176.44 1de1 n ILE 11 N -4.58 0.95 -3.64 2.81 5.41 -1.26 -4.99 119.36 114.06 1de1 n ILE 11 Ca -0.16 -0.97 -0.07 0.00 1.00 0.00 0.00 62.75 62.55 1de1 n ILE 11 Cb 0.43 0.54 -0.07 0.00 -0.71 0.00 0.00 39.64 39.83 1de1 n ILE 11 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1de1 s HIS 12 N -0.99 -0.43 0.69 1.39 2.46 -1.26 -4.79 115.29 112.35 1de1 s HIS 12 Ca 0.21 1.00 -0.11 0.00 0.47 0.00 0.00 55.06 56.64 1de1 s HIS 12 Cb 0.11 0.37 0.01 0.00 -0.13 0.00 0.00 32.58 32.95 1de1 s HIS 12 CO 0.15 -0.21 1.07 -1.59 -2.47 0.00 0.00 174.74 171.69 1de1 s LYS 13 N 0.40 2.90 -0.30 2.88 0.00 -1.26 -2.38 119.74 121.98 1de1 s LYS 13 Ca 0.02 0.41 -0.17 0.00 0.00 0.00 0.00 55.97 56.23 1de1 s LYS 13 Cb -0.05 -2.06 0.19 0.00 0.00 0.00 0.00 37.83 35.91 1de1 s LYS 13 CO -0.09 -0.97 1.18 0.00 0.00 0.00 0.00 175.35 175.46 1de1 n VAL 15 N 4.17 1.72 0.32 0.00 0.24 -1.26 -4.14 118.33 119.38 1de1 n VAL 15 Ca -0.11 -0.69 0.14 0.00 -2.04 0.00 0.00 64.34 61.64 1de1 n VAL 15 Cb 0.55 -1.52 0.42 0.00 -1.47 0.00 0.00 33.84 31.82 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 0.05 0.00 -0.22 6.34 0.05 -1.98 -3.17 116.97 118.04 1de1 h TYR 16 Ca -0.40 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.23 1de1 h TYR 16 Cb 2.03 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.76 1de1 h TYR 16 CO 0.05 0.00 -0.48 0.00 -1.05 0.00 0.00 178.16 176.68 1de1 h ASP 18 N 0.47 0.00 0.00 0.00 3.58 -1.72 -2.98 116.42 115.77 1de1 h ASP 18 Ca 0.02 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 1de1 h ASP 18 Cb 1.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.06 1de1 h ASP 18 CO 0.09 0.43 -0.06 0.78 -2.88 0.00 0.00 179.24 177.61 1de1 h ASN 19 N 0.00 0.05 -0.54 2.28 2.35 -1.58 -2.94 115.58 115.20 1de1 h ASN 19 Ca -0.00 -0.84 0.08 0.00 -0.55 0.00 0.00 56.30 54.99 1de1 h ASN 19 Cb 0.94 -0.01 -0.07 0.00 0.05 0.00 0.00 38.32 39.23 1de1 h ASN 19 CO 0.06 0.88 0.17 0.00 -1.65 0.00 0.00 177.43 176.89 1de1 h ALA 20 N 0.17 0.66 0.28 -0.83 0.00 -1.45 0.31 119.26 118.39 1de1 h ALA 20 Ca -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1de1 h ALA 20 Cb 0.89 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1de1 h ALA 20 CO 0.01 -0.24 -0.13 -0.22 0.00 0.00 0.00 179.25 178.67 1de1 h LYS 21 N 0.33 -0.36 -0.88 0.00 3.64 -1.63 -1.54 116.57 116.13 1de1 h LYS 21 Ca 0.27 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1de1 h LYS 21 Cb 0.34 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 1de1 h LYS 21 CO -0.30 -0.23 0.56 0.00 -2.27 0.00 0.00 179.45 177.21 1de1 h ARG 22 N -0.39 1.17 0.29 1.90 2.47 -1.26 -1.98 114.38 116.59 1de1 h ARG 22 Ca -0.04 -0.09 -0.01 0.00 -1.26 0.00 0.00 59.98 58.59 1de1 h ARG 22 Cb 0.30 -0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 1de1 h ARG 22 CO 0.06 0.79 -0.21 1.25 0.56 0.00 0.00 179.97 182.42 1de1 h LEU 23 N 1.20 -0.54 -0.45 3.04 6.46 -0.12 -1.01 115.31 123.88 1de1 h LEU 23 Ca 0.32 0.04 0.05 0.00 -0.12 0.00 0.00 57.88 58.17 1de1 h LEU 23 Cb -0.10 0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 39.95 1de1 h LEU 23 CO -0.06 -0.33 0.17 -0.07 -0.62 0.00 0.00 178.44 177.53 1de1 h LEU 24 N -0.51 0.19 -1.33 2.25 3.38 -1.04 0.47 115.31 118.73 1de1 h LEU 24 Ca -0.02 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.08 1de1 h LEU 24 Cb 0.44 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1de1 h LEU 24 CO 0.00 0.14 0.52 0.74 0.09 0.00 0.00 178.44 179.94 1de1 h THR 25 N 0.35 0.98 0.00 0.22 2.02 -1.13 0.19 112.91 115.54 1de1 h THR 25 Ca 0.21 -0.26 -0.15 0.00 0.77 0.00 0.00 66.41 66.98 1de1 h THR 25 Cb 0.19 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1de1 h THR 25 CO -0.20 0.14 -0.70 0.58 0.37 0.00 0.00 175.52 175.71 1de1 h VAL 26 N 0.77 1.27 0.00 3.16 2.07 0.23 -3.12 116.25 120.63 1de1 h VAL 26 Ca 0.36 -2.60 0.00 0.00 0.82 0.00 0.00 66.70 65.28 1de1 h VAL 26 Cb 0.38 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1de1 h VAL 26 CO -0.13 0.68 -0.15 1.17 0.02 0.00 0.00 177.57 179.16 1de1 n LYS 27 N -3.38 0.08 -2.62 1.57 0.00 0.15 -4.96 118.16 109.00 1de1 n LYS 27 Ca 0.01 0.05 -0.09 0.00 0.00 0.00 0.00 58.31 58.28 1de1 n LYS 27 Cb 0.77 -1.58 0.04 0.00 0.00 0.00 0.00 35.03 34.27 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 -1.70 -1.39 -4.10 1.64 4.76 0.45 -5.05 118.16 112.78 1de1 n LYS 28 Ca 0.06 0.63 -0.15 0.00 -2.87 0.00 0.00 58.31 55.98 1de1 n LYS 28 Cb 0.37 -4.30 -0.14 0.00 -1.84 0.00 0.00 35.03 29.12 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 -3.80 0.36 0.07 1.97 -1.52 -1.08 -5.06 119.66 110.60 1de1 s GLN 29 Ca 0.26 -0.20 -0.30 0.00 -1.95 0.00 0.00 55.36 53.17 1de1 s GLN 29 Cb -0.03 -0.33 -0.05 0.00 -0.22 0.00 0.00 33.01 32.38 1de1 s GLN 29 CO 0.48 0.09 1.05 -1.25 -0.25 0.00 0.00 175.29 175.40 1de1 s PRO 30 N -0.21 4.57 0.26 2.91 0.04 -1.26 -4.65 135.00 136.65 1de1 s PRO 30 Ca 0.01 1.56 -0.17 0.00 0.04 0.00 0.00 61.00 62.43 1de1 s PRO 30 Cb -0.02 -3.39 0.01 0.00 0.04 0.00 0.00 34.50 31.14 1de1 s PRO 30 CO -0.00 -0.02 0.60 -0.59 0.04 0.00 0.00 177.00 177.03 1de1 s PHE 31 N 0.60 0.04 -0.02 0.56 -0.12 -1.26 -1.16 117.98 116.61 1de1 s PHE 31 Ca 0.52 -0.44 -0.11 0.00 -0.05 0.00 0.00 56.93 56.85 1de1 s PHE 31 Cb -0.25 0.47 0.01 0.00 -0.63 0.00 0.00 43.02 42.63 1de1 s PHE 31 CO 0.30 -1.11 0.23 -1.21 -0.05 0.00 0.00 175.22 173.38 1de1 s GLU 32 N -3.95 0.52 0.46 1.99 0.41 -0.03 -4.85 118.70 113.24 1de1 s GLU 32 Ca 0.15 -0.17 -0.03 0.00 -0.41 0.00 0.00 54.97 54.51 1de1 s GLU 32 Cb -0.03 0.23 -0.03 0.00 -1.78 0.00 0.00 34.13 32.52 1de1 s GLU 32 CO 0.07 -0.13 0.73 0.12 -0.49 0.00 0.00 175.26 175.57 1de1 s PHE 33 N -1.07 3.47 -0.12 1.61 5.36 -1.26 -2.52 117.98 123.45 1de1 s PHE 33 Ca -0.11 0.62 -0.04 0.00 -0.96 0.00 0.00 56.93 56.43 1de1 s PHE 33 Cb -0.06 -2.27 0.06 0.00 -0.34 0.00 0.00 43.02 40.42 1de1 s PHE 33 CO 0.02 -0.27 0.23 0.42 -1.46 0.00 0.00 175.22 174.16 1de1 s ILE 34 N -2.66 -0.36 -0.11 3.12 1.01 -0.49 -4.85 121.20 116.86 1de1 s ILE 34 Ca 0.47 0.29 -0.28 0.00 0.00 0.00 0.00 60.65 61.12 1de1 s ILE 34 Cb -0.10 -0.40 -0.01 0.00 0.01 0.00 0.00 42.46 41.95 1de1 s ILE 34 CO 0.42 0.11 0.96 0.54 0.00 0.00 0.00 174.94 176.97 1de1 s ASN 35 N 2.37 7.18 -0.00 3.58 2.20 -1.26 -2.45 114.94 126.56 1de1 s ASN 35 Ca 0.02 1.44 0.21 0.00 -0.94 0.00 0.00 52.86 53.60 1de1 s ASN 35 Cb -0.12 -2.53 -0.22 0.00 -2.00 0.00 0.00 41.25 36.38 1de1 s ASN 35 CO -0.08 -0.42 0.84 2.30 -2.94 0.00 0.00 177.10 176.81 1de1 n ILE 36 N 4.54 0.01 -3.89 0.54 -5.35 -0.79 -4.75 119.36 109.67 1de1 n ILE 36 Ca 0.07 -0.10 -0.32 0.00 -0.27 0.00 0.00 62.75 62.13 1de1 n ILE 36 Cb 0.49 0.77 -0.13 0.00 -1.74 0.00 0.00 39.64 39.03 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 -3.10 2.07 0.37 6.28 1.75 -1.26 0.14 119.30 125.54 1de1 s MET 37 Ca 0.05 -2.45 0.15 0.00 -1.25 0.00 0.00 55.69 52.20 1de1 s MET 37 Cb 0.16 -3.43 0.72 0.00 2.84 0.00 0.00 34.83 35.11 1de1 s MET 37 CO 0.87 -1.10 1.79 -1.00 -0.65 0.00 0.00 175.02 174.93 1de1 h PRO 38 N 6.89 0.00 -3.94 4.11 0.13 -1.86 -3.45 132.00 133.89 1de1 h PRO 38 Ca -0.06 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.88 1de1 h PRO 38 Cb 0.93 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.84 1de1 h PRO 38 CO 0.67 0.39 -0.71 -1.21 -0.23 0.00 0.00 178.00 176.92 1de1 s GLU 39 N -3.92 0.24 0.00 0.86 8.01 -1.25 -5.01 118.70 117.63 1de1 s GLU 39 Ca -0.02 -0.46 0.03 0.00 0.01 0.00 0.00 54.97 54.54 1de1 s GLU 39 Cb 0.13 0.07 0.15 0.00 -4.31 0.00 0.00 34.13 30.17 1de1 s GLU 39 CO 0.71 -0.03 1.05 0.36 0.01 0.00 0.00 175.26 177.35 1de1 n LYS 40 N 1.98 0.02 -0.06 1.61 -0.00 -1.26 -2.61 118.16 117.83 1de1 n LYS 40 Ca -0.21 0.38 -0.05 0.00 -0.00 0.00 0.00 58.31 58.42 1de1 n LYS 40 Cb 0.56 -1.50 -0.04 0.00 -0.00 0.00 0.00 35.03 34.05 1de1 n LYS 40 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1de1 h GLY 41 N 0.58 0.00 -4.85 2.58 0.00 -1.96 -3.48 103.07 95.93 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 -0.35 0.14 0.00 0.00 0.00 176.54 176.33 1de1 s VAL 42 N -1.83 0.04 1.09 4.60 1.01 -1.07 -5.16 120.40 119.07 1de1 s VAL 42 Ca -0.08 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 1de1 s VAL 42 Cb -0.01 -0.51 0.24 0.00 0.00 0.00 0.00 36.38 36.11 1de1 s VAL 42 CO 0.25 -0.19 1.06 -0.36 0.00 0.00 0.00 175.10 175.86 1de1 s PHE 43 N -0.81 1.44 -0.73 5.22 0.08 -1.26 -3.82 117.98 118.09 1de1 s PHE 43 Ca -0.09 1.36 -0.27 0.00 0.12 0.00 0.00 56.93 58.06 1de1 s PHE 43 Cb -0.05 -3.17 0.02 0.00 -0.57 0.00 0.00 43.02 39.26 1de1 s PHE 43 CO 0.02 -3.55 1.38 0.16 -0.10 0.00 0.00 175.22 173.13 1de1 s ASP 44 N -2.58 6.03 0.63 1.36 1.47 0.36 -4.78 116.67 119.17 1de1 s ASP 44 Ca 0.68 -0.38 0.32 0.00 1.18 0.00 0.00 52.55 54.34 1de1 s ASP 44 Cb -0.24 -2.56 1.74 0.00 -0.34 0.00 0.00 42.92 41.52 1de1 s ASP 44 CO 0.63 -1.91 2.04 0.44 0.68 0.00 0.00 175.17 177.04 1de1 h ASP 45 N 10.76 0.00 0.37 2.11 5.19 -1.90 -2.00 116.42 130.96 1de1 h ASP 45 Ca -0.25 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.14 1de1 h ASP 45 Cb 1.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.58 1de1 h ASP 45 CO 1.28 0.00 -0.18 -0.08 -3.12 0.00 0.00 179.24 177.14 1de1 h GLU 46 N 0.00 -0.48 -0.11 3.56 4.81 -1.97 -0.75 114.58 119.63 1de1 h GLU 46 Ca 0.06 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1de1 h GLU 46 Cb 0.59 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 1de1 h GLU 46 CO -0.00 -0.31 -0.10 0.87 -0.73 0.00 0.00 179.01 178.74 1de1 h LYS 47 N -0.51 0.26 -1.00 1.92 1.57 -1.77 -3.00 116.57 114.04 1de1 h LYS 47 Ca -0.05 -0.13 0.23 0.00 -1.87 0.00 0.00 60.65 58.83 1de1 h LYS 47 Cb 0.39 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.61 1de1 h LYS 47 CO 0.08 0.66 0.63 0.82 -0.57 0.00 0.00 179.45 181.07 1de1 h ILE 48 N -0.13 0.60 0.80 1.86 5.03 -1.42 0.79 117.51 125.04 1de1 h ILE 48 Ca 0.02 -0.18 -0.04 0.00 -0.12 0.00 0.00 64.86 64.54 1de1 h ILE 48 Cb 0.60 0.04 0.01 0.00 -3.03 0.00 0.00 36.82 34.44 1de1 h ILE 48 CO 0.02 0.09 -0.38 0.00 -0.68 0.00 0.00 178.15 177.21 1de1 h ALA 49 N 1.64 -1.07 -0.47 1.87 0.00 -1.03 -1.03 119.26 119.17 1de1 h ALA 49 Ca 0.57 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.26 1de1 h ALA 49 Cb 1.25 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 1de1 h ALA 49 CO -0.32 -1.00 0.31 1.49 0.00 0.00 0.00 179.25 179.73 1de1 h GLU 50 N -1.27 0.58 0.25 0.00 4.81 -1.19 -2.51 114.58 115.25 1de1 h GLU 50 Ca -0.11 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1de1 h GLU 50 Cb 0.82 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 1de1 h GLU 50 CO 0.18 0.39 -0.13 1.25 -0.73 0.00 0.00 179.01 179.96 1de1 h LEU 51 N 0.60 -0.32 -0.79 1.64 7.12 0.69 0.12 115.31 124.37 1de1 h LEU 51 Ca 0.18 0.02 0.18 0.00 0.13 0.00 0.00 57.88 58.38 1de1 h LEU 51 Cb -0.02 0.09 -0.12 0.00 -0.53 0.00 0.00 40.66 40.08 1de1 h LEU 51 CO -0.04 -0.22 0.22 -0.07 -0.13 0.00 0.00 178.44 178.20 1de1 h LEU 52 N -0.35 0.05 -0.86 2.25 3.38 -0.74 0.66 115.31 119.70 1de1 h LEU 52 Ca -0.03 0.16 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1de1 h LEU 52 Cb 0.28 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1de1 h LEU 52 CO 0.04 -0.05 -0.21 0.74 0.09 0.00 0.00 178.44 179.05 1de1 h THR 53 N 0.28 1.26 -0.28 0.22 2.02 -1.30 -2.15 112.91 112.97 1de1 h THR 53 Ca 0.46 -1.25 -0.06 0.00 0.77 0.00 0.00 66.41 66.34 1de1 h THR 53 Cb 0.83 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1de1 h THR 53 CO -0.54 0.41 -0.07 0.11 0.37 0.00 0.00 175.52 175.79 1de1 h LYS 54 N 0.55 0.45 0.01 6.66 1.57 0.29 -3.01 116.57 123.08 1de1 h LYS 54 Ca 0.08 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1de1 h LYS 54 Cb 0.66 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1de1 h LYS 54 CO 0.05 0.54 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.39 1de1 h LEU 55 N 0.43 -0.01 0.00 2.94 3.38 -0.19 -3.45 115.31 118.41 1de1 h LEU 55 Ca 0.09 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1de1 h LEU 55 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1de1 h LEU 55 CO 0.02 0.52 0.00 0.61 0.09 0.00 0.00 178.44 179.68 1de1 n GLY 56 N 0.33 -0.79 1.89 0.83 0.00 -0.85 -4.95 105.19 101.64 1de1 n GLY 56 Ca -0.09 -1.08 -0.18 0.00 0.00 0.00 0.00 46.02 44.68 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 1.91 0.00 1.61 1.74 -1.26 -4.29 116.66 116.37 1de1 n ARG 57 Ca 0.00 -2.12 0.00 0.00 -0.77 0.00 0.00 57.85 54.96 1de1 n ARG 57 Cb 0.00 -1.83 0.00 0.00 -1.02 0.00 0.00 32.46 29.61 1de1 n ARG 57 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1de1 n ASP 58 N -0.58 0.65 -4.60 0.55 -0.08 -1.26 -5.17 116.55 106.05 1de1 n ASP 58 Ca 0.42 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 53.43 1de1 n ASP 58 Cb 1.22 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 44.58 1de1 n ASP 58 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1de1 s THR 59 N 1.58 1.87 -0.76 5.18 -1.32 -1.26 -4.95 115.64 115.97 1de1 s THR 59 Ca 0.00 -2.00 -0.26 0.00 -1.21 0.00 0.00 61.69 58.22 1de1 s THR 59 Cb 0.00 -2.94 0.02 0.00 -1.51 0.00 0.00 72.50 68.07 1de1 s THR 59 CO 0.00 0.00 1.39 0.00 -2.21 0.00 0.00 174.62 173.80 1de1 s GLN 60 N -3.74 3.15 -1.16 7.08 -2.07 -1.26 -4.92 119.66 116.75 1de1 s GLN 60 Ca 0.34 -0.25 -0.22 0.00 -1.82 0.00 0.00 55.36 53.41 1de1 s GLN 60 Cb 0.09 -4.38 -0.03 0.00 -1.09 0.00 0.00 33.01 27.60 1de1 s GLN 60 CO 0.17 -2.26 1.85 0.42 -1.32 0.00 0.00 175.29 174.15 1de1 s ILE 61 N 6.17 3.70 -1.00 3.63 -1.09 -1.26 -4.09 121.20 127.26 1de1 s ILE 61 Ca 0.41 -1.08 0.00 0.00 -2.23 0.00 0.00 60.65 57.75 1de1 s ILE 61 Cb -0.08 -4.68 0.00 0.00 -1.58 0.00 0.00 42.46 36.12 1de1 s ILE 61 CO 0.12 -1.31 0.00 0.61 -1.23 0.00 0.00 174.94 173.13 1de1 n GLY 62 N 5.93 0.11 3.55 6.18 0.00 -1.26 -4.88 105.19 114.82 1de1 n GLY 62 Ca 0.44 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.13 1de1 n GLY 62 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1de1 n LEU 63 N -2.34 1.99 -4.14 0.99 -0.00 -1.26 -5.04 117.00 107.21 1de1 n LEU 63 Ca -0.12 0.49 -0.09 0.00 -0.00 0.00 0.00 56.01 56.29 1de1 n LEU 63 Cb 0.50 -1.34 -0.10 0.00 -0.00 0.00 0.00 43.42 42.48 1de1 n LEU 63 CO 0.15 -2.69 -0.32 0.42 -0.00 0.00 0.00 177.39 174.95 1de1 s THR 64 N -2.20 0.19 0.24 1.47 -4.23 -1.26 -5.14 115.64 104.70 1de1 s THR 64 Ca 0.66 -1.89 0.03 0.00 -1.18 0.00 0.00 61.69 59.32 1de1 s THR 64 Cb -0.28 -1.89 -0.03 0.00 1.34 0.00 0.00 72.50 71.65 1de1 s THR 64 CO 0.58 -0.63 0.38 -0.04 -0.54 0.00 0.00 174.62 174.37 1de1 s MET 65 N -4.00 3.45 0.19 3.99 -1.94 -1.26 -4.17 119.30 115.56 1de1 s MET 65 Ca 0.19 -0.64 -0.25 0.00 -1.71 0.00 0.00 55.69 53.28 1de1 s MET 65 Cb 0.07 -2.87 -0.08 0.00 2.01 0.00 0.00 34.83 33.97 1de1 s MET 65 CO -0.02 0.40 0.79 -2.14 -0.01 0.00 0.00 175.02 174.04 1de1 s PRO 66 N -3.84 4.54 -0.32 2.03 0.02 -1.26 -5.05 135.00 131.13 1de1 s PRO 66 Ca 0.35 1.15 -0.09 0.00 0.02 0.00 0.00 61.00 62.43 1de1 s PRO 66 Cb -0.10 -3.19 0.01 0.00 0.02 0.00 0.00 34.50 31.24 1de1 s PRO 66 CO 0.30 0.53 0.15 -0.65 -0.33 0.00 0.00 177.00 177.00 1de1 s GLN 67 N -1.30 3.15 0.56 5.54 -1.52 0.28 -4.30 119.66 122.06 1de1 s GLN 67 Ca 0.38 -0.85 -0.05 0.00 -1.95 0.00 0.00 55.36 52.89 1de1 s GLN 67 Cb -0.22 -3.56 -0.00 0.00 -0.22 0.00 0.00 33.01 29.01 1de1 s GLN 67 CO 0.26 -0.49 0.86 0.08 -0.25 0.00 0.00 175.29 175.74 1de1 s VAL 68 N 1.57 3.97 -0.05 1.09 1.01 -0.43 0.15 120.40 127.71 1de1 s VAL 68 Ca 0.03 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 1de1 s VAL 68 Cb -0.18 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.68 1de1 s VAL 68 CO 0.05 -0.55 0.12 -0.36 0.00 0.00 0.00 175.10 174.36 1de1 s PHE 69 N -2.91 -0.13 0.44 5.22 0.08 0.36 -2.69 117.98 118.36 1de1 s PHE 69 Ca 0.52 0.39 -0.23 0.00 0.12 0.00 0.00 56.93 57.73 1de1 s PHE 69 Cb -0.10 -0.07 -0.08 0.00 -0.57 0.00 0.00 43.02 42.20 1de1 s PHE 69 CO 0.45 -0.13 1.13 0.00 -0.10 0.00 0.00 175.22 176.57 1de1 s ALA 70 N 0.87 3.00 0.23 5.36 0.00 0.19 -0.59 121.76 130.82 1de1 s ALA 70 Ca -0.07 0.86 -0.15 0.00 0.00 0.00 0.00 51.96 52.61 1de1 s ALA 70 Cb -0.09 -3.35 0.28 0.00 0.00 0.00 0.00 23.12 19.96 1de1 s ALA 70 CO -0.04 -0.52 1.57 -1.35 0.00 0.00 0.00 175.76 175.42 1de1 h PRO 71 N 2.17 -0.03 -0.05 0.00 0.11 -1.82 0.70 132.00 133.08 1de1 h PRO 71 Ca -0.49 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1de1 h PRO 71 Cb 1.24 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1de1 h PRO 71 CO 0.61 -0.02 0.04 -0.44 -0.21 0.00 0.00 178.00 177.97 1de1 h ASP 72 N -0.03 0.00 0.00 -2.05 3.32 -1.92 -3.41 116.42 112.32 1de1 h ASP 72 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1de1 h ASP 72 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1de1 h ASP 72 CO -0.89 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.24 1de1 n GLY 73 N -1.45 0.73 3.46 2.75 0.00 0.24 -5.16 105.19 105.77 1de1 n GLY 73 Ca -0.02 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.51 -0.57 -0.33 1.61 0.01 -1.20 -4.91 113.70 107.81 1de1 s SER 74 Ca 0.00 0.95 -0.29 0.00 1.31 0.00 0.00 55.95 57.92 1de1 s SER 74 Cb 0.00 0.95 -0.01 0.00 0.21 0.00 0.00 66.02 67.17 1de1 s SER 74 CO 0.00 -0.31 1.66 -2.28 0.41 0.00 0.00 173.24 172.72 1de1 s HIS 75 N -0.19 2.02 -0.15 2.43 2.46 -1.26 0.52 115.29 121.12 1de1 s HIS 75 Ca -0.04 0.62 -0.25 0.00 0.47 0.00 0.00 55.06 55.86 1de1 s HIS 75 Cb -0.03 -4.15 -0.24 0.00 -0.13 0.00 0.00 32.58 28.02 1de1 s HIS 75 CO 0.03 -2.68 0.60 0.82 -2.47 0.00 0.00 174.74 171.03 1de1 h ILE 76 N 6.60 1.46 0.00 0.89 2.04 -1.86 -3.47 117.51 123.17 1de1 h ILE 76 Ca -0.32 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.23 1de1 h ILE 76 Cb 1.15 2.98 0.00 0.00 -0.74 0.00 0.00 36.82 40.21 1de1 h ILE 76 CO 1.04 0.53 0.00 0.61 0.00 0.00 0.00 178.15 180.33 1de1 n GLY 77 N 1.57 0.66 0.00 5.37 0.00 -1.25 -4.62 105.19 106.92 1de1 n GLY 77 Ca -0.18 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 1.29 0.06 -0.02 0.00 -1.26 -1.32 105.19 103.94 1de1 n GLY 78 Ca 0.00 -1.55 -0.02 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 -0.12 -0.97 1.61 3.57 -1.91 -2.61 116.94 116.51 1de1 h PHE 79 Ca 0.00 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.66 1de1 h PHE 79 Cb 0.00 0.04 -0.09 0.00 2.79 0.00 0.00 35.95 38.69 1de1 h PHE 79 CO 0.00 -0.08 0.61 0.22 -2.23 0.00 0.00 178.31 176.83 1de1 h ASP 80 N -0.32 0.76 -0.93 0.41 1.82 -1.98 0.87 116.42 117.05 1de1 h ASP 80 Ca -0.01 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1de1 h ASP 80 Cb 0.10 -0.08 -0.05 0.00 0.68 0.00 0.00 39.33 39.98 1de1 h ASP 80 CO 0.02 0.35 0.59 1.56 -1.61 0.00 0.00 179.24 180.15 1de1 h GLN 81 N 0.78 1.24 -0.20 0.28 1.08 -1.90 -2.60 115.11 113.79 1de1 h GLN 81 Ca 0.51 -0.09 -0.08 0.00 -1.45 0.00 0.00 58.65 57.54 1de1 h GLN 81 Cb 0.76 -0.27 -0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1de1 h GLN 81 CO -0.28 0.84 -0.19 1.25 -0.95 0.00 0.00 178.83 179.51 1de1 h LEU 82 N 1.27 0.51 -1.86 1.46 5.85 -0.47 -2.55 115.31 119.52 1de1 h LEU 82 Ca 0.34 -0.47 0.24 0.00 0.84 0.00 0.00 57.88 58.83 1de1 h LEU 82 Cb -0.11 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 1de1 h LEU 82 CO -0.07 0.87 0.62 0.03 -0.34 0.00 0.00 178.44 179.56 1de1 h ARG 83 N 0.15 0.11 -0.09 1.25 3.08 -0.94 1.24 114.38 119.17 1de1 h ARG 83 Ca 0.03 -0.01 -0.19 0.00 0.07 0.00 0.00 59.98 59.89 1de1 h ARG 83 Cb 0.72 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 1de1 h ARG 83 CO 0.05 0.07 -0.74 1.49 -1.07 0.00 0.00 179.97 179.77 1de1 h GLU 84 N 0.11 0.46 -0.28 0.04 4.81 -1.20 0.86 114.58 119.39 1de1 h GLU 84 Ca 0.44 -0.38 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1de1 h GLU 84 Cb 1.55 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.99 1de1 h GLU 84 CO -0.06 1.02 -0.03 -0.92 -0.73 0.00 0.00 179.01 178.29 1de1 h TYR 85 N 0.32 0.45 0.00 0.92 5.03 0.18 -3.33 116.97 120.54 1de1 h TYR 85 Ca -0.03 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.23 1de1 h TYR 85 Cb 1.32 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 39.47 1de1 h TYR 85 CO 0.05 0.47 0.00 1.19 -1.32 0.00 0.00 178.16 178.55 1de1 n PHE 86 N -4.29 0.00 1.98 -3.82 3.72 0.29 -5.10 117.46 110.23 1de1 n PHE 86 Ca 0.01 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.57 1de1 n PHE 86 Cb 0.24 -0.29 0.93 0.00 -0.94 0.00 0.00 39.48 39.42 1de1 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34