#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de2 n PHE 2 N 0.00 1.64 -3.22 1.12 3.72 -1.26 -3.65 117.46 115.82 1de2 n PHE 2 Ca 0.00 1.13 -0.39 0.00 -0.05 0.00 0.00 57.45 58.14 1de2 n PHE 2 Cb 0.00 -2.20 -0.06 0.00 -0.94 0.00 0.00 39.48 36.28 1de2 n PHE 2 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1de2 s LYS 3 N 2.70 4.23 -0.34 -1.08 3.01 0.19 0.13 119.74 128.60 1de2 s LYS 3 Ca 1.03 0.49 -0.06 0.00 -1.01 0.00 0.00 55.97 56.41 1de2 s LYS 3 Cb -1.47 -3.54 0.04 0.00 -1.01 0.00 0.00 37.83 31.85 1de2 s LYS 3 CO 0.79 -0.10 0.10 0.08 0.51 0.00 0.00 175.35 176.73 1de2 s VAL 4 N 1.47 3.78 -0.66 3.17 1.01 -0.20 0.90 120.40 129.87 1de2 s VAL 4 Ca 0.26 -1.11 -0.21 0.00 0.00 0.00 0.00 61.98 60.92 1de2 s VAL 4 Cb -0.16 -3.13 0.08 0.00 0.00 0.00 0.00 36.38 33.17 1de2 s VAL 4 CO 0.10 -0.16 0.92 -0.31 0.00 0.00 0.00 175.10 175.65 1de2 s TYR 5 N 1.41 2.78 0.00 5.22 2.02 0.24 -2.32 117.35 126.70 1de2 s TYR 5 Ca -0.01 -0.70 0.00 0.00 -0.37 0.00 0.00 57.07 55.98 1de2 s TYR 5 Cb -0.19 -4.23 0.00 0.00 -0.40 0.00 0.00 41.96 37.13 1de2 s TYR 5 CO 0.03 -1.56 0.00 0.41 -1.57 0.00 0.00 175.55 172.85 1de2 n GLY 6 N 5.33 3.23 3.24 0.71 0.00 -1.14 -0.06 105.19 116.50 1de2 n GLY 6 Ca -0.03 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 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 0.04 1.57 -0.27 1.61 2.02 -1.26 -1.74 117.35 119.33 1de2 s TYR 7 Ca 0.00 -0.42 0.13 0.00 -0.37 0.00 0.00 57.07 56.40 1de2 s TYR 7 Cb 0.00 -0.88 0.74 0.00 -0.40 0.00 0.00 41.96 41.42 1de2 s TYR 7 CO 0.00 0.14 1.72 -0.40 -1.57 0.00 0.00 175.55 175.44 1de2 n ASP 8 N 1.28 5.03 0.00 2.29 5.75 -1.26 -4.88 116.55 124.75 1de2 n ASP 8 Ca -0.20 -3.10 0.00 0.00 -0.01 0.00 0.00 54.79 51.49 1de2 n ASP 8 Cb 0.54 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 1de2 n ASP 8 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1de2 n SER 9 N 0.09 -4.52 -0.09 -1.12 2.88 -1.11 -4.86 113.62 104.89 1de2 n SER 9 Ca 0.32 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.69 1de2 n SER 9 Cb 1.23 -2.17 -0.11 0.00 -0.75 0.00 0.00 64.21 62.41 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 0.00 -3.46 4.21 -1.97 -3.42 115.58 110.94 1de2 h ASN 10 Ca 0.00 -0.66 -0.32 0.00 1.21 0.00 0.00 56.30 56.53 1de2 h ASN 10 Cb 0.54 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.68 1de2 h ASN 10 CO 0.00 1.25 -2.20 -0.38 -1.29 0.00 0.00 177.43 174.81 1de2 n ILE 11 N -4.52 1.20 -4.02 2.81 2.08 -1.26 -5.03 119.36 110.63 1de2 n ILE 11 Ca -0.22 -0.68 -0.08 0.00 0.56 0.00 0.00 62.75 62.33 1de2 n ILE 11 Cb 0.57 -0.69 -0.10 0.00 -0.75 0.00 0.00 39.64 38.66 1de2 n ILE 11 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1de2 s HIS 12 N -2.42 0.35 0.77 1.39 2.46 -1.26 -4.82 115.29 111.76 1de2 s HIS 12 Ca -0.13 -0.74 -0.12 0.00 0.47 0.00 0.00 55.06 54.54 1de2 s HIS 12 Cb 0.06 -0.26 0.06 0.00 -0.13 0.00 0.00 32.58 32.30 1de2 s HIS 12 CO 0.67 -0.30 1.13 0.21 -2.47 0.00 0.00 174.74 173.98 1de2 s LYS 13 N -2.64 2.28 0.00 2.88 2.36 -1.26 -2.76 119.74 120.60 1de2 s LYS 13 Ca -0.05 0.37 0.00 0.00 -2.55 0.00 0.00 55.97 53.74 1de2 s LYS 13 Cb -0.01 -1.96 0.00 0.00 -1.05 0.00 0.00 37.83 34.80 1de2 s LYS 13 CO -0.05 -1.42 0.00 0.00 1.55 0.00 0.00 175.35 175.43 1de2 h VAL 15 N 0.00 1.32 -0.25 0.00 -1.51 -1.98 -3.06 116.25 110.77 1de2 h VAL 15 Ca 0.00 -1.37 0.07 0.00 -1.23 0.00 0.00 66.70 64.17 1de2 h VAL 15 Cb 0.00 1.71 -0.01 0.00 -2.13 0.00 0.00 31.29 30.86 1de2 h VAL 15 CO 0.00 0.42 0.19 1.88 -1.23 0.00 0.00 177.57 178.83 1de2 h TYR 16 N 0.22 0.00 0.53 5.19 -1.99 -1.97 -2.57 116.97 116.38 1de2 h TYR 16 Ca 0.04 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.74 1de2 h TYR 16 Cb 0.76 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.49 1de2 h TYR 16 CO 0.08 0.00 -0.25 0.00 -0.00 0.00 0.00 178.16 177.98 1de2 h ASP 18 N -0.94 0.33 -0.00 0.00 1.82 -1.50 -0.27 116.42 115.86 1de2 h ASP 18 Ca -0.07 0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1de2 h ASP 18 Cb 0.62 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.59 1de2 h ASP 18 CO 0.12 0.15 -0.00 0.78 -1.61 0.00 0.00 179.24 178.67 1de2 h ASN 19 N 0.34 0.01 -0.21 2.28 2.35 -1.33 -2.96 115.58 116.05 1de2 h ASN 19 Ca 0.41 -0.50 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1de2 h ASN 19 Cb 1.09 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 1de2 h ASN 19 CO -0.12 0.51 0.11 0.00 -1.65 0.00 0.00 177.43 176.27 1de2 h ALA 20 N 0.51 1.73 0.40 -0.83 0.00 -0.24 -1.60 119.26 119.24 1de2 h ALA 20 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1de2 h ALA 20 Cb 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1de2 h ALA 20 CO 0.00 0.22 -0.19 -0.22 0.00 0.00 0.00 179.25 179.06 1de2 h LYS 21 N 0.34 -0.52 0.00 0.00 3.64 -1.04 -2.32 116.57 116.67 1de2 h LYS 21 Ca 0.09 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1de2 h LYS 21 Cb 0.06 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1de2 h LYS 21 CO -0.01 -0.33 -0.15 0.07 -2.27 0.00 0.00 179.45 176.76 1de2 h ARG 22 N -0.57 0.00 0.36 1.90 0.11 -1.33 -2.78 114.38 112.07 1de2 h ARG 22 Ca -0.06 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.02 1de2 h ARG 22 Cb 0.43 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.50 1de2 h ARG 22 CO 0.09 0.15 -0.28 1.25 0.10 0.00 0.00 179.97 181.29 1de2 h LEU 23 N 0.00 -0.71 -1.24 0.08 6.46 -0.75 0.77 115.31 119.91 1de2 h LEU 23 Ca -0.00 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.77 1de2 h LEU 23 Cb 0.40 0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.53 1de2 h LEU 23 CO 0.02 -0.42 0.09 -0.07 -0.62 0.00 0.00 178.44 177.44 1de2 h LEU 24 N -0.64 0.57 -0.38 2.25 3.38 -1.32 -0.41 115.31 118.76 1de2 h LEU 24 Ca -0.03 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 1de2 h LEU 24 Cb 0.55 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1de2 h LEU 24 CO -0.00 0.58 -0.23 0.74 0.09 0.00 0.00 178.44 179.62 1de2 h THR 25 N 0.60 1.28 -0.12 0.22 2.02 -1.17 0.81 112.91 116.56 1de2 h THR 25 Ca 0.14 -1.37 -0.08 0.00 0.77 0.00 0.00 66.41 65.86 1de2 h THR 25 Cb 0.25 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1de2 h THR 25 CO -0.00 0.46 -0.28 0.58 0.37 0.00 0.00 175.52 176.64 1de2 h VAL 26 N 0.63 1.25 0.00 3.16 2.07 0.10 -2.10 116.25 121.36 1de2 h VAL 26 Ca 0.08 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1de2 h VAL 26 Cb 0.79 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1de2 h VAL 26 CO 0.06 0.35 -0.24 0.29 0.02 0.00 0.00 177.57 178.05 1de2 n LYS 27 N -4.14 0.03 -2.71 1.57 4.76 -0.21 -4.96 118.16 112.50 1de2 n LYS 27 Ca -0.01 0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 1de2 n LYS 27 Cb 0.38 -1.52 0.05 0.00 -1.84 0.00 0.00 35.03 32.09 1de2 n LYS 27 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1de2 n LYS 28 N -1.57 -2.95 -3.62 1.97 5.02 -0.23 -5.05 118.16 111.72 1de2 n LYS 28 Ca 0.06 0.49 -0.24 0.00 -2.02 0.00 0.00 58.31 56.60 1de2 n LYS 28 Cb 0.35 -4.28 -0.17 0.00 -0.02 0.00 0.00 35.03 30.91 1de2 n LYS 28 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1de2 s GLN 29 N -4.45 0.02 0.93 1.97 1.11 0.11 -5.03 119.66 114.33 1de2 s GLN 29 Ca 0.09 0.08 -0.16 0.00 0.01 0.00 0.00 55.36 55.38 1de2 s GLN 29 Cb -0.01 -1.38 0.03 0.00 -1.01 0.00 0.00 33.01 30.63 1de2 s GLN 29 CO 0.42 -0.56 -0.31 -2.30 0.01 0.00 0.00 175.29 172.55 1de2 n PRO 30 N 5.29 -1.09 -3.79 2.91 -0.02 -1.26 -4.48 135.00 132.55 1de2 n PRO 30 Ca -0.06 -0.32 -0.05 0.00 -2.02 0.00 0.00 63.50 61.06 1de2 n PRO 30 Cb 0.49 -1.30 -0.02 0.00 -0.02 0.00 0.00 33.50 32.66 1de2 n PRO 30 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1de2 s PHE 31 N -2.07 -0.16 -0.23 6.00 -0.71 -1.26 -4.34 117.98 115.21 1de2 s PHE 31 Ca 0.33 -0.21 -0.01 0.00 -1.04 0.00 0.00 56.93 56.00 1de2 s PHE 31 Cb -0.01 0.67 0.06 0.00 -1.21 0.00 0.00 43.02 42.52 1de2 s PHE 31 CO 0.42 -0.99 -0.01 -2.00 -1.34 0.00 0.00 175.22 171.30 1de2 s GLU 32 N -3.54 1.23 0.25 1.99 -6.30 0.35 -4.76 118.70 107.94 1de2 s GLU 32 Ca 0.12 -0.81 -0.09 0.00 -2.50 0.00 0.00 54.97 51.69 1de2 s GLU 32 Cb -0.03 -2.40 -0.07 0.00 0.00 0.00 0.00 34.13 31.62 1de2 s GLU 32 CO 0.04 -0.64 0.57 0.12 0.02 0.00 0.00 175.26 175.38 1de2 s PHE 33 N 1.56 3.43 -0.15 5.30 5.36 -1.26 -1.04 117.98 131.18 1de2 s PHE 33 Ca -0.03 0.86 -0.07 0.00 -0.96 0.00 0.00 56.93 56.73 1de2 s PHE 33 Cb -0.18 -2.26 0.06 0.00 -0.34 0.00 0.00 43.02 40.30 1de2 s PHE 33 CO -0.08 0.22 0.35 0.42 -1.46 0.00 0.00 175.22 174.68 1de2 s ILE 34 N -1.90 -0.18 -0.46 3.12 1.01 -0.98 -4.88 121.20 116.93 1de2 s ILE 34 Ca 0.47 0.15 -0.27 0.00 0.00 0.00 0.00 60.65 61.00 1de2 s ILE 34 Cb -0.11 -0.54 0.03 0.00 0.01 0.00 0.00 42.46 41.85 1de2 s ILE 34 CO 0.23 0.06 1.02 0.54 0.00 0.00 0.00 174.94 176.79 1de2 s ASN 35 N 1.70 6.57 0.51 3.58 4.22 -1.26 -2.90 114.94 127.36 1de2 s ASN 35 Ca -0.07 0.31 0.30 0.00 -2.14 0.00 0.00 52.86 51.26 1de2 s ASN 35 Cb -0.10 -2.50 1.03 0.00 1.28 0.00 0.00 41.25 40.96 1de2 s ASN 35 CO -0.11 -1.13 1.86 0.16 -2.04 0.00 0.00 177.10 175.84 1de2 h ILE 36 N 6.14 0.00 -2.90 0.54 3.07 -1.69 -3.38 117.51 119.29 1de2 h ILE 36 Ca -0.23 -0.67 -0.61 0.00 1.55 0.00 0.00 64.86 64.90 1de2 h ILE 36 Cb 1.07 1.67 -0.40 0.00 -0.27 0.00 0.00 36.82 38.89 1de2 h ILE 36 CO 1.07 0.00 -0.75 -0.32 -1.05 0.00 0.00 178.15 177.11 1de2 s MET 37 N -3.52 1.46 0.00 0.16 0.00 -1.26 0.11 119.30 116.26 1de2 s MET 37 Ca 0.03 -2.30 0.26 0.00 0.00 0.00 0.00 55.69 53.68 1de2 s MET 37 Cb 0.08 -2.40 1.43 0.00 0.00 0.00 0.00 34.83 33.94 1de2 s MET 37 CO 0.58 -1.23 1.90 -0.35 0.00 0.00 0.00 175.02 175.93 1de2 n PRO 38 N 3.09 0.58 -3.84 4.11 -0.04 -1.26 -4.68 135.00 132.96 1de2 n PRO 38 Ca 0.15 0.02 -0.13 0.00 -0.04 0.00 0.00 63.50 63.50 1de2 n PRO 38 Cb 0.37 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.18 1de2 n PRO 38 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1de2 s GLU 39 N -2.31 -0.00 0.00 0.54 2.12 -1.26 -5.01 118.70 112.78 1de2 s GLU 39 Ca 0.32 0.06 0.07 0.00 0.36 0.00 0.00 54.97 55.78 1de2 s GLU 39 Cb 0.18 -0.10 0.32 0.00 0.26 0.00 0.00 34.13 34.79 1de2 s GLU 39 CO 0.35 -0.06 1.15 0.36 -0.54 0.00 0.00 175.26 176.53 1de2 n LYS 40 N 3.47 0.05 -0.04 4.30 -0.00 -1.26 -3.13 118.16 121.55 1de2 n LYS 40 Ca -0.18 0.30 -0.02 0.00 -0.00 0.00 0.00 58.31 58.42 1de2 n LYS 40 Cb 0.56 -1.50 -0.01 0.00 -0.00 0.00 0.00 35.03 34.09 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 1.17 0.00 -5.43 2.58 0.00 -1.96 -3.49 103.07 95.94 1de2 h GLY 41 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 1de2 h GLY 41 CO 0.00 0.00 -0.59 0.14 0.00 0.00 0.00 176.54 176.09 1de2 s VAL 42 N -1.60 0.00 1.11 4.60 1.01 -1.18 -5.16 120.40 119.18 1de2 s VAL 42 Ca -0.05 -0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.76 1de2 s VAL 42 Cb 0.01 -0.18 0.25 0.00 0.00 0.00 0.00 36.38 36.46 1de2 s VAL 42 CO 0.08 -0.02 1.06 0.72 0.00 0.00 0.00 175.10 176.94 1de2 s PHE 43 N -0.01 1.55 -0.84 5.22 -0.12 -1.26 -4.19 117.98 118.32 1de2 s PHE 43 Ca -0.01 0.97 -0.23 0.00 -0.05 0.00 0.00 56.93 57.61 1de2 s PHE 43 Cb -0.01 -3.20 0.06 0.00 -0.63 0.00 0.00 43.02 39.24 1de2 s PHE 43 CO 0.00 -3.50 1.24 0.34 -0.05 0.00 0.00 175.22 173.26 1de2 s ASP 44 N -3.13 6.35 0.66 1.98 -1.08 0.30 -4.85 116.67 116.90 1de2 s ASP 44 Ca 0.67 -1.13 0.38 0.00 -0.52 0.00 0.00 52.55 51.95 1de2 s ASP 44 Cb -0.20 -2.51 2.08 0.00 -1.46 0.00 0.00 42.92 40.83 1de2 s ASP 44 CO 0.60 -1.53 2.19 -2.24 0.52 0.00 0.00 175.17 174.72 1de2 h ASP 45 N 9.67 0.00 0.82 -0.34 3.04 -1.91 -1.34 116.42 126.35 1de2 h ASP 45 Ca -0.06 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.69 1de2 h ASP 45 Cb 1.04 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 39.34 1de2 h ASP 45 CO 1.28 0.00 -0.39 -0.33 -2.04 0.00 0.00 179.24 177.76 1de2 h GLU 46 N 0.00 -1.06 -0.54 4.15 5.08 -1.96 0.34 114.58 120.59 1de2 h GLU 46 Ca 0.01 0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 1de2 h GLU 46 Cb 0.28 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1de2 h GLU 46 CO -0.00 -0.70 -0.09 0.87 -1.00 0.00 0.00 179.01 178.08 1de2 h LYS 47 N -1.23 1.02 -0.78 2.33 1.57 -1.86 -2.82 116.57 114.80 1de2 h LYS 47 Ca -0.11 -0.37 0.01 0.00 -1.87 0.00 0.00 60.65 58.31 1de2 h LYS 47 Cb 0.84 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.04 1de2 h LYS 47 CO 0.18 1.06 0.52 0.82 -0.57 0.00 0.00 179.45 181.46 1de2 h ILE 48 N 0.90 1.19 0.19 1.86 1.08 -1.26 -2.37 117.51 119.09 1de2 h ILE 48 Ca 0.14 -0.36 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 1de2 h ILE 48 Cb 0.66 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.47 1de2 h ILE 48 CO 0.05 0.19 -0.09 0.00 -0.69 0.00 0.00 178.15 177.61 1de2 h ALA 49 N 1.52 -0.25 -0.55 1.87 0.00 -0.06 -2.02 119.26 119.76 1de2 h ALA 49 Ca 0.29 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.24 1de2 h ALA 49 Cb -0.10 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1de2 h ALA 49 CO -0.07 -0.63 0.37 1.49 0.00 0.00 0.00 179.25 180.42 1de2 h GLU 50 N -0.28 0.27 0.33 0.00 4.81 -1.35 -1.98 114.58 116.38 1de2 h GLU 50 Ca -0.03 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1de2 h GLU 50 Cb 0.22 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1de2 h GLU 50 CO 0.04 0.18 -0.16 1.25 -0.73 0.00 0.00 179.01 179.59 1de2 h LEU 51 N 0.27 -0.38 -0.88 1.64 6.46 -0.86 -2.43 115.31 119.13 1de2 h LEU 51 Ca 0.26 -0.01 0.17 0.00 -0.12 0.00 0.00 57.88 58.18 1de2 h LEU 51 Cb 0.64 0.10 -0.10 0.00 -0.73 0.00 0.00 40.66 40.57 1de2 h LEU 51 CO -0.06 -0.24 0.45 -0.07 -0.62 0.00 0.00 178.44 177.90 1de2 h LEU 52 N -0.48 0.51 -0.46 2.25 3.38 -0.93 -0.21 115.31 119.39 1de2 h LEU 52 Ca -0.05 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1de2 h LEU 52 Cb 0.36 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1de2 h LEU 52 CO 0.07 0.17 0.29 0.74 0.09 0.00 0.00 178.44 179.80 1de2 h THR 53 N 0.58 1.08 -0.22 0.22 2.02 -1.30 -1.86 112.91 113.43 1de2 h THR 53 Ca 0.50 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.46 1de2 h THR 53 Cb 0.80 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1de2 h THR 53 CO -0.41 0.11 0.04 0.11 0.37 0.00 0.00 175.52 175.74 1de2 h LYS 54 N 0.58 0.32 0.03 6.66 1.57 -0.59 -2.75 116.57 122.39 1de2 h LYS 54 Ca 0.17 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1de2 h LYS 54 Cb -0.03 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1de2 h LYS 54 CO -0.06 0.31 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.04 1de2 h LEU 55 N 0.32 -0.04 0.00 2.94 3.38 -0.47 -3.45 115.31 117.99 1de2 h LEU 55 Ca 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1de2 h LEU 55 Cb 0.15 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1de2 h LEU 55 CO -0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1de2 n GLY 56 N -1.01 0.84 0.00 0.83 0.00 -1.04 -5.08 105.19 99.74 1de2 n GLY 56 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 -0.41 1.61 1.74 -1.21 -5.02 116.66 113.37 1de2 n ARG 57 Ca 0.00 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.15 1de2 n ARG 57 Cb 0.00 0.00 0.22 0.00 -1.02 0.00 0.00 32.46 31.66 1de2 n ARG 57 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1de2 n ASP 58 N -0.49 3.27 -4.53 0.55 8.00 -1.26 -3.78 116.55 118.30 1de2 n ASP 58 Ca 0.00 -3.17 -0.26 0.00 0.71 0.00 0.00 54.79 52.07 1de2 n ASP 58 Cb 0.00 -0.53 -0.10 0.00 -0.02 0.00 0.00 41.12 40.46 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 -2.92 2.26 -0.29 -3.53 -1.32 -1.26 -5.08 115.64 103.50 1de2 s THR 59 Ca 0.40 -2.23 0.00 0.00 -1.21 0.00 0.00 61.69 58.65 1de2 s THR 59 Cb 0.34 -2.59 0.09 0.00 -1.51 0.00 0.00 72.50 68.83 1de2 s THR 59 CO 0.06 -0.23 0.06 -1.10 -2.21 0.00 0.00 174.62 171.19 1de2 s GLN 60 N -3.60 1.04 -1.20 7.08 1.11 -1.26 -5.00 119.66 117.83 1de2 s GLN 60 Ca 0.32 -1.18 -0.22 0.00 0.01 0.00 0.00 55.36 54.29 1de2 s GLN 60 Cb 0.01 -2.37 -0.06 0.00 -1.01 0.00 0.00 33.01 29.58 1de2 s GLN 60 CO 0.16 -0.88 1.90 0.44 0.01 0.00 0.00 175.29 176.92 1de2 n ILE 61 N 4.70 2.31 -2.03 1.08 -5.35 -1.26 -4.10 119.36 114.71 1de2 n ILE 61 Ca -0.03 -2.40 -0.09 0.00 -0.27 0.00 0.00 62.75 59.96 1de2 n ILE 61 Cb 0.43 -2.21 -0.02 0.00 -1.74 0.00 0.00 39.64 36.10 1de2 n ILE 61 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1de2 n GLY 62 N 5.66 -0.01 3.37 3.28 0.00 -1.26 -4.89 105.19 111.35 1de2 n GLY 62 Ca 0.46 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.33 -2.11 -3.73 0.99 7.94 -1.26 -5.06 117.00 111.45 1de2 n LEU 63 Ca -0.10 -0.19 -0.10 0.00 -1.11 0.00 0.00 56.01 54.51 1de2 n LEU 63 Cb 0.48 -1.12 -0.06 0.00 0.53 0.00 0.00 43.42 43.26 1de2 n LEU 63 CO 0.13 -3.26 0.05 0.42 -1.11 0.00 0.00 177.39 173.63 1de2 s THR 64 N -2.32 0.09 0.23 1.96 -4.23 -1.26 -5.14 115.64 104.98 1de2 s THR 64 Ca 0.63 -0.78 0.06 0.00 -1.18 0.00 0.00 61.69 60.43 1de2 s THR 64 Cb -0.20 -1.17 -0.03 0.00 1.34 0.00 0.00 72.50 72.44 1de2 s THR 64 CO 0.66 -0.43 0.23 -0.04 -0.54 0.00 0.00 174.62 174.50 1de2 s MET 65 N -3.53 3.06 0.35 3.99 -1.94 -1.26 -4.22 119.30 115.75 1de2 s MET 65 Ca 0.02 -0.95 -0.25 0.00 -1.71 0.00 0.00 55.69 52.80 1de2 s MET 65 Cb 0.02 -2.66 -0.10 0.00 2.01 0.00 0.00 34.83 34.10 1de2 s MET 65 CO -0.10 0.42 0.95 -2.14 -0.01 0.00 0.00 175.02 174.14 1de2 s PRO 66 N -3.75 4.50 -0.23 2.03 0.02 -1.26 -4.94 135.00 131.37 1de2 s PRO 66 Ca 0.33 1.28 -0.06 0.00 0.02 0.00 0.00 61.00 62.57 1de2 s PRO 66 Cb -0.09 -2.65 -0.02 0.00 0.02 0.00 0.00 34.50 31.76 1de2 s PRO 66 CO 0.26 0.21 0.03 -0.65 -0.33 0.00 0.00 177.00 176.51 1de2 s GLN 67 N -2.32 3.57 0.33 5.54 -1.52 0.92 -4.36 119.66 121.82 1de2 s GLN 67 Ca 0.53 -0.53 -0.06 0.00 -1.95 0.00 0.00 55.36 53.35 1de2 s GLN 67 Cb -0.16 -3.19 -0.05 0.00 -0.22 0.00 0.00 33.01 29.38 1de2 s GLN 67 CO 0.21 -0.16 0.62 0.08 -0.25 0.00 0.00 175.29 175.79 1de2 s VAL 68 N 1.47 4.96 -0.05 1.09 1.01 0.27 0.83 120.40 129.99 1de2 s VAL 68 Ca 0.05 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 1de2 s VAL 68 Cb -0.15 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.51 1de2 s VAL 68 CO 0.01 -0.40 0.12 -0.36 0.00 0.00 0.00 175.10 174.47 1de2 s PHE 69 N -2.19 -0.13 0.82 5.22 0.40 0.26 -2.84 117.98 119.52 1de2 s PHE 69 Ca 0.46 0.34 -0.16 0.00 -0.60 0.00 0.00 56.93 56.97 1de2 s PHE 69 Cb -0.11 0.01 -0.05 0.00 0.51 0.00 0.00 43.02 43.38 1de2 s PHE 69 CO 0.31 -0.08 0.13 0.00 0.70 0.00 0.00 175.22 176.28 1de2 n ALA 70 N 3.29 -2.86 -0.32 5.36 0.00 0.21 0.57 120.51 126.75 1de2 n ALA 70 Ca -0.16 -0.42 0.10 0.00 0.00 0.00 0.00 53.44 52.96 1de2 n ALA 70 Cb 0.57 -1.63 0.31 0.00 0.00 0.00 0.00 19.45 18.70 1de2 n ALA 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1de2 h PRO 71 N -0.80 0.82 0.00 0.00 0.11 -1.91 -1.53 132.00 128.70 1de2 h PRO 71 Ca -0.44 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1de2 h PRO 71 Cb 1.33 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1de2 h PRO 71 CO 0.36 0.54 -1.25 -0.40 -0.21 0.00 0.00 178.00 177.04 1de2 n ASP 72 N -4.60 0.73 0.00 -2.05 5.75 -1.26 -4.29 116.55 110.84 1de2 n ASP 72 Ca 0.18 0.29 0.00 0.00 -0.01 0.00 0.00 54.79 55.26 1de2 n ASP 72 Cb 0.41 0.57 0.00 0.00 -1.03 0.00 0.00 41.12 41.08 1de2 n ASP 72 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1de2 n GLY 73 N 1.26 1.52 3.40 6.12 0.00 -0.57 -5.16 105.19 111.75 1de2 n GLY 73 Ca -0.04 -0.49 0.02 0.00 0.00 0.00 0.00 46.02 45.51 1de2 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1de2 s SER 74 N 0.00 -0.95 -0.25 1.61 0.01 -1.26 -4.79 113.70 108.07 1de2 s SER 74 Ca 0.00 1.03 -0.32 0.00 1.31 0.00 0.00 55.95 57.97 1de2 s SER 74 Cb 0.00 1.97 -0.09 0.00 0.21 0.00 0.00 66.02 68.11 1de2 s SER 74 CO 0.00 -0.18 2.14 1.57 0.41 0.00 0.00 173.24 177.18 1de2 n HIS 75 N 5.31 1.89 -0.10 2.43 -0.00 -1.26 0.64 115.22 124.12 1de2 n HIS 75 Ca -0.08 0.07 -0.15 0.00 0.46 0.00 0.00 57.72 58.02 1de2 n HIS 75 Cb 0.51 -2.63 -0.14 0.00 -0.12 0.00 0.00 29.99 27.61 1de2 n HIS 75 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1de2 n ILE 76 N 6.98 1.48 0.00 3.57 5.41 -1.13 -4.91 119.36 130.76 1de2 n ILE 76 Ca 0.33 -0.70 0.00 0.00 1.00 0.00 0.00 62.75 63.38 1de2 n ILE 76 Cb 0.32 -1.05 0.00 0.00 -0.71 0.00 0.00 39.64 38.20 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 1.99 0.61 0.00 7.39 0.00 -1.23 -4.37 105.19 109.58 1de2 n GLY 77 Ca -0.38 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 43.82 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 2.66 0.07 -0.02 0.00 -1.26 0.96 105.19 107.60 1de2 n GLY 78 Ca 0.00 -1.73 -0.02 0.00 0.00 0.00 0.00 46.02 44.26 1de2 n GLY 78 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1de2 h PHE 79 N 0.00 -0.14 -0.60 1.61 3.57 -1.88 -2.39 116.94 117.11 1de2 h PHE 79 Ca 0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1de2 h PHE 79 Cb 0.00 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1de2 h PHE 79 CO 0.00 -0.09 0.25 0.22 -2.23 0.00 0.00 178.31 176.46 1de2 h ASP 80 N -0.40 0.82 -0.24 0.41 1.82 -1.97 0.71 116.42 117.56 1de2 h ASP 80 Ca -0.02 -0.16 0.04 0.00 -0.39 0.00 0.00 57.03 56.50 1de2 h ASP 80 Cb 0.12 -0.21 -0.04 0.00 0.68 0.00 0.00 39.33 39.88 1de2 h ASP 80 CO 0.03 0.75 0.01 -0.61 -1.61 0.00 0.00 179.24 177.81 1de2 h GLN 81 N 0.83 0.08 -0.08 0.28 -0.00 -1.93 -2.33 115.11 111.96 1de2 h GLN 81 Ca 0.20 -0.01 -0.23 0.00 -0.00 0.00 0.00 58.65 58.61 1de2 h GLN 81 Cb 0.18 -0.02 0.01 0.00 0.00 0.00 0.00 27.48 27.66 1de2 h GLN 81 CO -0.02 0.06 -0.87 1.25 0.00 0.00 0.00 178.83 179.25 1de2 h LEU 82 N 0.09 0.83 -1.87 -2.39 6.46 -1.25 -3.05 115.31 114.12 1de2 h LEU 82 Ca 0.11 -0.59 0.23 0.00 -0.12 0.00 0.00 57.88 57.51 1de2 h LEU 82 Cb 0.14 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.79 1de2 h LEU 82 CO -0.19 1.39 0.69 -0.09 -0.62 0.00 0.00 178.44 179.62 1de2 h ARG 83 N 0.43 0.00 -0.17 1.25 2.43 0.78 1.37 114.38 120.47 1de2 h ARG 83 Ca -0.08 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.95 1de2 h ARG 83 Cb 1.50 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.04 1de2 h ARG 83 CO 0.17 0.00 -0.51 1.49 -1.51 0.00 0.00 179.97 179.61 1de2 h GLU 84 N 0.00 0.49 -0.52 0.20 4.22 -1.31 1.08 114.58 118.73 1de2 h GLU 84 Ca 0.37 -0.29 -0.07 0.00 0.08 0.00 0.00 59.36 59.46 1de2 h GLU 84 Cb 1.75 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.01 1de2 h GLU 84 CO -0.00 0.88 0.05 -0.92 -2.18 0.00 0.00 179.01 176.84 1de2 h TYR 85 N 0.38 0.88 0.00 0.92 3.20 0.17 -2.43 116.97 120.10 1de2 h TYR 85 Ca 0.01 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 1de2 h TYR 85 Cb 1.03 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 39.05 1de2 h TYR 85 CO 0.04 0.79 -0.68 0.74 -1.64 0.00 0.00 178.16 177.40 1de2 h PHE 86 N 0.79 0.00 0.00 -3.82 0.04 -1.00 -3.52 116.94 109.43 1de2 h PHE 86 Ca 0.16 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.93 1de2 h PHE 86 Cb 0.41 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.56 1de2 h PHE 86 CO 0.02 0.03 0.00 1.63 -0.60 0.00 0.00 178.31 179.39