#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 3.37 -0.13 1.12 0.08 -0.63 -2.50 117.98 119.29 1de2 s PHE 2 Ca 0.00 1.40 0.00 0.00 0.12 0.00 0.00 56.93 58.45 1de2 s PHE 2 Cb 0.00 -2.70 0.02 0.00 -0.57 0.00 0.00 43.02 39.77 1de2 s PHE 2 CO 0.00 -0.10 -0.12 0.15 -0.10 0.00 0.00 175.22 175.05 1de2 s LYS 3 N -3.37 2.00 -0.27 0.44 3.01 -0.51 -1.32 119.74 119.72 1de2 s LYS 3 Ca 0.58 -0.44 -0.06 0.00 -1.01 0.00 0.00 55.97 55.04 1de2 s LYS 3 Cb -0.10 -1.89 0.00 0.00 -1.01 0.00 0.00 37.83 34.84 1de2 s LYS 3 CO 0.20 -0.23 0.04 0.08 0.51 0.00 0.00 175.35 175.95 1de2 s VAL 4 N 1.51 3.78 -0.57 3.17 1.01 -1.11 -0.47 120.40 127.72 1de2 s VAL 4 Ca 0.04 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 1de2 s VAL 4 Cb -0.13 -2.88 0.11 0.00 0.00 0.00 0.00 36.38 33.48 1de2 s VAL 4 CO -0.09 0.20 0.64 -0.31 0.00 0.00 0.00 175.10 175.54 1de2 s TYR 5 N 1.49 3.06 0.00 5.22 2.02 0.31 -2.07 117.35 127.38 1de2 s TYR 5 Ca 0.03 -1.01 0.00 0.00 -0.37 0.00 0.00 57.07 55.73 1de2 s TYR 5 Cb -0.16 -3.91 0.00 0.00 -0.40 0.00 0.00 41.96 37.49 1de2 s TYR 5 CO 0.01 -1.20 0.00 0.41 -1.57 0.00 0.00 175.55 173.19 1de2 n GLY 6 N 5.27 3.35 3.26 0.71 0.00 -0.99 -0.62 105.19 116.16 1de2 n GLY 6 Ca -0.10 -0.09 -0.21 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 0.29 1.58 -0.24 1.61 1.51 -1.26 -0.87 117.35 119.97 1de2 s TYR 7 Ca 0.00 -0.46 0.20 0.00 -1.01 0.00 0.00 57.07 55.80 1de2 s TYR 7 Cb 0.00 -0.85 0.46 0.00 -0.11 0.00 0.00 41.96 41.46 1de2 s TYR 7 CO 0.00 0.18 1.20 -0.25 -1.11 0.00 0.00 175.55 175.57 1de2 n ASP 8 N 0.89 0.79 -0.28 2.29 9.92 -1.26 -4.94 116.55 123.96 1de2 n ASP 8 Ca -0.18 -2.06 0.00 0.00 -0.53 0.00 0.00 54.79 52.02 1de2 n ASP 8 Cb 0.55 -0.19 0.00 0.00 -0.64 0.00 0.00 41.12 40.84 1de2 n ASP 8 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1de2 n SER 9 N -0.67 0.00 -0.43 -2.24 7.64 -1.26 -5.01 113.62 111.65 1de2 n SER 9 Ca 0.01 -0.28 0.06 0.00 1.01 0.00 0.00 58.87 59.66 1de2 n SER 9 Cb 0.85 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 64.24 1de2 n SER 9 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1de2 n ASN 10 N -0.23 1.26 -0.07 6.43 6.94 -1.26 -3.36 115.26 124.98 1de2 n ASN 10 Ca 0.00 -1.90 0.13 0.00 -0.02 0.00 0.00 54.58 52.79 1de2 n ASN 10 Cb 0.00 -0.14 0.40 0.00 -2.36 0.00 0.00 39.78 37.68 1de2 n ASN 10 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1de2 n ILE 11 N 0.15 0.00 -3.62 1.53 2.08 -1.26 -4.89 119.36 113.35 1de2 n ILE 11 Ca 0.10 -0.04 -0.08 0.00 0.56 0.00 0.00 62.75 63.29 1de2 n ILE 11 Cb 0.22 0.10 -0.06 0.00 -0.75 0.00 0.00 39.64 39.14 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 -2.81 -0.36 0.52 1.39 2.46 -1.21 -4.73 115.29 110.54 1de2 s HIS 12 Ca 0.17 0.79 -0.15 0.00 0.47 0.00 0.00 55.06 56.34 1de2 s HIS 12 Cb 0.19 0.41 -0.07 0.00 -0.13 0.00 0.00 32.58 32.98 1de2 s HIS 12 CO 0.60 -0.23 0.97 0.21 -2.47 0.00 0.00 174.74 173.81 1de2 s LYS 13 N -0.33 3.87 0.00 2.88 2.20 -1.26 -4.45 119.74 122.64 1de2 s LYS 13 Ca 0.02 0.86 0.00 0.00 -0.36 0.00 0.00 55.97 56.49 1de2 s LYS 13 Cb -0.03 -2.16 0.00 0.00 -1.51 0.00 0.00 37.83 34.13 1de2 s LYS 13 CO -0.05 -0.29 0.00 0.00 -0.36 0.00 0.00 175.35 174.65 1de2 h VAL 15 N 0.00 1.31 -0.00 0.00 -1.51 -1.98 -3.08 116.25 110.99 1de2 h VAL 15 Ca 0.00 -1.98 0.00 0.00 -1.23 0.00 0.00 66.70 63.49 1de2 h VAL 15 Cb 0.00 2.14 -0.00 0.00 -2.13 0.00 0.00 31.29 31.30 1de2 h VAL 15 CO 0.00 0.61 0.02 1.88 -1.23 0.00 0.00 177.57 178.86 1de2 h TYR 16 N 0.37 0.00 0.66 5.19 -1.99 -2.00 -2.82 116.97 116.38 1de2 h TYR 16 Ca -0.06 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.64 1de2 h TYR 16 Cb 1.38 0.00 0.01 0.00 2.00 0.00 0.00 36.73 40.12 1de2 h TYR 16 CO 0.10 0.00 -0.32 0.00 -0.00 0.00 0.00 178.16 177.94 1de2 h ASP 18 N -1.22 0.72 -0.39 0.00 5.19 -1.62 0.36 116.42 119.47 1de2 h ASP 18 Ca -0.09 0.12 -0.05 0.00 -0.62 0.00 0.00 57.03 56.39 1de2 h ASP 18 Cb 0.68 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.17 1de2 h ASP 18 CO 0.15 0.18 0.04 0.78 -3.12 0.00 0.00 179.24 177.27 1de2 h ASN 19 N 0.66 0.65 0.07 6.45 2.35 -1.51 -2.82 115.58 121.43 1de2 h ASN 19 Ca 0.61 -0.28 -0.09 0.00 -0.55 0.00 0.00 56.30 55.99 1de2 h ASN 19 Cb 1.07 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.26 1de2 h ASN 19 CO -0.43 0.77 -0.29 0.00 -1.65 0.00 0.00 177.43 175.82 1de2 h ALA 20 N 0.90 1.18 -0.63 -0.83 0.00 0.63 -2.43 119.26 118.08 1de2 h ALA 20 Ca 0.12 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.73 1de2 h ALA 20 Cb 0.41 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1de2 h ALA 20 CO 0.01 0.53 0.35 -0.22 0.00 0.00 0.00 179.25 179.92 1de2 h LYS 21 N 0.30 0.63 0.00 0.00 3.64 -0.19 0.36 116.57 121.31 1de2 h LYS 21 Ca 0.04 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1de2 h LYS 21 Cb 0.67 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1de2 h LYS 21 CO 0.05 0.42 -0.28 -0.09 -2.27 0.00 0.00 179.45 177.28 1de2 h ARG 22 N 0.65 0.00 0.23 1.90 2.43 -1.30 -2.91 114.38 115.38 1de2 h ARG 22 Ca 0.28 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1de2 h ARG 22 Cb 0.16 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 1de2 h ARG 22 CO -0.17 0.28 -0.40 1.25 -1.51 0.00 0.00 179.97 179.42 1de2 h LEU 23 N 0.00 -1.14 -0.63 3.80 6.46 -0.44 0.73 115.31 124.09 1de2 h LEU 23 Ca -0.00 0.12 -0.06 0.00 -0.12 0.00 0.00 57.88 57.82 1de2 h LEU 23 Cb 0.76 0.41 -0.03 0.00 -0.73 0.00 0.00 40.66 41.08 1de2 h LEU 23 CO 0.04 -0.50 0.18 -0.07 -0.62 0.00 0.00 178.44 177.46 1de2 h LEU 24 N -0.70 0.94 -1.52 2.25 3.38 -1.51 -1.45 115.31 116.69 1de2 h LEU 24 Ca 0.00 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1de2 h LEU 24 Cb 0.69 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1de2 h LEU 24 CO -0.17 0.91 0.27 0.74 0.09 0.00 0.00 178.44 180.29 1de2 h THR 25 N 0.92 1.12 -0.16 0.22 2.02 -1.24 0.79 112.91 116.58 1de2 h THR 25 Ca 0.20 -0.27 -0.14 0.00 0.77 0.00 0.00 66.41 66.97 1de2 h THR 25 Cb 0.33 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1de2 h THR 25 CO -0.00 0.13 -0.46 0.58 0.37 0.00 0.00 175.52 176.14 1de2 h VAL 26 N 0.61 1.34 0.00 3.16 2.07 0.10 -3.10 116.25 120.42 1de2 h VAL 26 Ca 0.16 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.96 1de2 h VAL 26 Cb -0.03 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1de2 h VAL 26 CO -0.03 0.53 0.00 0.11 0.02 0.00 0.00 177.57 178.20 1de2 h LYS 27 N 0.26 0.00 -3.02 1.57 6.56 -0.75 -3.48 116.57 117.71 1de2 h LYS 27 Ca -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1de2 h LYS 27 Cb 1.08 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.74 1de2 h LYS 27 CO 0.10 0.00 -0.00 1.17 -2.06 0.00 0.00 179.45 178.66 1de2 n LYS 28 N -3.05 -0.02 -3.85 3.15 3.00 0.22 -5.09 118.16 112.53 1de2 n LYS 28 Ca 0.01 0.51 -0.12 0.00 -0.00 0.00 0.00 58.31 58.72 1de2 n LYS 28 Cb 0.36 -1.54 -0.12 0.00 0.00 0.00 0.00 35.03 33.72 1de2 n LYS 28 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1de2 s GLN 29 N -2.80 0.24 0.04 1.64 -1.52 -1.05 -5.04 119.66 111.17 1de2 s GLN 29 Ca 0.00 -0.03 -0.30 0.00 -1.95 0.00 0.00 55.36 53.07 1de2 s GLN 29 Cb -0.00 0.11 -0.05 0.00 -0.22 0.00 0.00 33.01 32.85 1de2 s GLN 29 CO 0.01 -0.04 1.11 -1.25 -0.25 0.00 0.00 175.29 174.87 1de2 s PRO 30 N -0.42 4.48 0.21 2.91 0.04 -1.26 -4.63 135.00 136.33 1de2 s PRO 30 Ca -0.05 1.63 -0.13 0.00 0.04 0.00 0.00 61.00 62.49 1de2 s PRO 30 Cb -0.03 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1de2 s PRO 30 CO 0.00 -0.17 0.43 -0.59 0.04 0.00 0.00 177.00 176.71 1de2 s PHE 31 N 1.01 0.24 -0.05 0.56 -0.12 -1.26 -1.61 117.98 116.75 1de2 s PHE 31 Ca 0.56 -0.59 -0.03 0.00 -0.05 0.00 0.00 56.93 56.81 1de2 s PHE 31 Cb -0.26 0.17 0.02 0.00 -0.63 0.00 0.00 43.02 42.32 1de2 s PHE 31 CO 0.29 -0.88 0.12 -1.21 -0.05 0.00 0.00 175.22 173.48 1de2 s GLU 32 N -3.96 0.11 0.43 1.99 0.41 -0.44 -4.88 118.70 112.36 1de2 s GLU 32 Ca 0.17 0.23 -0.03 0.00 -0.41 0.00 0.00 54.97 54.93 1de2 s GLU 32 Cb 0.01 -0.03 -0.04 0.00 -1.78 0.00 0.00 34.13 32.28 1de2 s GLU 32 CO 0.03 -0.07 0.70 0.12 -0.49 0.00 0.00 175.26 175.54 1de2 s PHE 33 N 0.49 3.54 -0.16 1.61 5.36 -1.26 -2.75 117.98 124.80 1de2 s PHE 33 Ca -0.04 0.66 -0.07 0.00 -0.96 0.00 0.00 56.93 56.52 1de2 s PHE 33 Cb -0.05 -2.16 0.07 0.00 -0.34 0.00 0.00 43.02 40.53 1de2 s PHE 33 CO -0.02 -0.13 0.36 0.42 -1.46 0.00 0.00 175.22 174.39 1de2 s ILE 34 N -2.58 -0.24 -0.43 3.12 1.01 -0.88 -4.91 121.20 116.29 1de2 s ILE 34 Ca 0.45 0.15 -0.24 0.00 0.00 0.00 0.00 60.65 61.01 1de2 s ILE 34 Cb -0.10 -0.56 0.02 0.00 0.01 0.00 0.00 42.46 41.83 1de2 s ILE 34 CO 0.41 0.06 0.84 0.20 0.00 0.00 0.00 174.94 176.46 1de2 s ASN 35 N 1.82 6.49 0.00 3.58 0.01 -1.26 -2.34 114.94 123.25 1de2 s ASN 35 Ca -0.06 0.12 0.23 0.00 -0.71 0.00 0.00 52.86 52.44 1de2 s ASN 35 Cb -0.10 -2.42 1.16 0.00 0.41 0.00 0.00 41.25 40.30 1de2 s ASN 35 CO -0.11 -0.92 1.75 2.30 -1.51 0.00 0.00 177.10 178.61 1de2 n ILE 36 N 6.16 0.28 -3.24 0.60 -5.35 -0.05 -3.84 119.36 113.92 1de2 n ILE 36 Ca 0.04 0.07 -0.25 0.00 -0.27 0.00 0.00 62.75 62.34 1de2 n ILE 36 Cb 0.48 -0.69 -0.07 0.00 -1.74 0.00 0.00 39.64 37.62 1de2 n ILE 36 CO 0.00 0.00 0.00 0.80 -1.76 0.00 0.00 176.55 175.59 1de2 n MET 37 N -1.29 1.15 0.12 6.28 0.00 -1.26 0.22 117.12 122.34 1de2 n MET 37 Ca 0.11 -3.56 0.09 0.00 0.00 0.00 0.00 57.70 54.33 1de2 n MET 37 Cb 0.19 -1.46 0.46 0.00 0.00 0.00 0.00 33.22 32.40 1de2 n MET 37 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 1de2 n PRO 38 N 1.25 0.12 -3.89 2.12 -0.02 -1.25 -4.54 135.00 128.79 1de2 n PRO 38 Ca 0.23 0.55 -0.14 0.00 -2.02 0.00 0.00 63.50 62.13 1de2 n PRO 38 Cb 0.50 -1.84 -0.15 0.00 -0.02 0.00 0.00 33.50 31.99 1de2 n PRO 38 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1de2 s GLU 39 N -3.39 0.09 0.00 -0.52 2.12 -1.26 -5.00 118.70 110.74 1de2 s GLU 39 Ca -0.00 0.04 0.01 0.00 0.36 0.00 0.00 54.97 55.38 1de2 s GLU 39 Cb 0.06 -0.19 0.06 0.00 0.26 0.00 0.00 34.13 34.31 1de2 s GLU 39 CO 0.21 -0.05 0.99 0.36 -0.54 0.00 0.00 175.26 176.23 1de2 n LYS 40 N 3.52 0.00 0.16 4.30 -0.00 -1.26 -2.61 118.16 122.28 1de2 n LYS 40 Ca -0.19 0.43 -0.07 0.00 -0.00 0.00 0.00 58.31 58.48 1de2 n LYS 40 Cb 0.56 -1.50 -0.04 0.00 -0.00 0.00 0.00 35.03 34.05 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 0.22 -0.51 -3.49 2.58 0.00 -1.94 -3.48 103.07 96.45 1de2 h GLY 41 Ca 0.00 0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.44 1de2 h GLY 41 CO 0.00 -0.18 -0.15 0.14 0.00 0.00 0.00 176.54 176.34 1de2 s VAL 42 N -3.15 0.08 1.21 4.60 1.01 -1.07 -5.17 120.40 117.90 1de2 s VAL 42 Ca -0.07 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.15 1de2 s VAL 42 Cb 0.01 -1.06 0.28 0.00 0.00 0.00 0.00 36.38 35.61 1de2 s VAL 42 CO 0.21 -0.34 0.86 0.49 0.00 0.00 0.00 175.10 176.32 1de2 n PHE 43 N 0.23 -1.54 -3.51 5.22 3.72 -1.26 -4.32 117.46 116.00 1de2 n PHE 43 Ca -0.17 -0.18 -0.41 0.00 -0.05 0.00 0.00 57.45 56.63 1de2 n PHE 43 Cb 0.61 -1.64 -0.10 0.00 -0.94 0.00 0.00 39.48 37.41 1de2 n PHE 43 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1de2 s ASP 44 N -2.32 6.06 0.46 4.37 -1.08 0.61 -4.91 116.67 119.86 1de2 s ASP 44 Ca 0.67 -0.64 0.29 0.00 -0.52 0.00 0.00 52.55 52.35 1de2 s ASP 44 Cb -0.23 -2.14 1.04 0.00 -1.46 0.00 0.00 42.92 40.13 1de2 s ASP 44 CO 0.66 -0.33 1.85 -2.24 0.52 0.00 0.00 175.17 175.62 1de2 h ASP 45 N 8.54 0.00 0.36 -0.34 3.04 -1.93 -2.49 116.42 123.60 1de2 h ASP 45 Ca -0.29 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.48 1de2 h ASP 45 Cb 1.14 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.43 1de2 h ASP 45 CO 0.67 0.00 -0.17 -0.33 -2.04 0.00 0.00 179.24 177.37 1de2 h GLU 46 N 0.00 -0.47 -0.74 4.15 5.08 -1.97 0.60 114.58 121.23 1de2 h GLU 46 Ca 0.00 0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1de2 h GLU 46 Cb 0.61 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1de2 h GLU 46 CO 0.00 -0.31 0.22 0.87 -1.00 0.00 0.00 179.01 178.79 1de2 h LYS 47 N -0.80 1.16 0.00 2.33 1.79 -1.95 -2.18 116.57 116.91 1de2 h LYS 47 Ca -0.05 -0.26 -0.05 0.00 -2.18 0.00 0.00 60.65 58.11 1de2 h LYS 47 Cb 0.37 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 1de2 h LYS 47 CO 0.08 0.99 -0.26 0.82 -1.08 0.00 0.00 179.45 180.00 1de2 h ILE 48 N 1.11 1.04 -0.02 1.86 2.04 -1.54 -2.82 117.51 119.18 1de2 h ILE 48 Ca 0.24 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 1de2 h ILE 48 Cb 0.33 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1de2 h ILE 48 CO -0.00 0.26 0.01 0.00 0.00 0.00 0.00 178.15 178.41 1de2 h ALA 49 N 1.74 0.02 -0.80 1.87 0.00 -0.22 -2.54 119.26 119.33 1de2 h ALA 49 Ca -0.00 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1de2 h ALA 49 Cb 0.51 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1de2 h ALA 49 CO 0.03 -0.37 0.53 1.49 0.00 0.00 0.00 179.25 180.93 1de2 h GLU 50 N -0.18 0.97 -0.06 0.00 4.81 -1.34 -2.46 114.58 116.31 1de2 h GLU 50 Ca 0.01 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1de2 h GLU 50 Cb 0.21 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1de2 h GLU 50 CO -0.00 0.64 -0.07 1.25 -0.73 0.00 0.00 179.01 180.10 1de2 h LEU 51 N 1.00 -0.23 -0.62 1.64 5.85 -1.27 -1.06 115.31 120.62 1de2 h LEU 51 Ca 0.31 0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.18 1de2 h LEU 51 Cb 0.02 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.08 1de2 h LEU 51 CO -0.09 -0.10 0.20 -0.07 -0.34 0.00 0.00 178.44 178.04 1de2 h LEU 52 N -0.10 0.15 -1.19 2.25 3.38 -1.03 0.02 115.31 118.79 1de2 h LEU 52 Ca 0.05 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1de2 h LEU 52 Cb 0.17 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1de2 h LEU 52 CO -0.12 0.09 0.14 0.74 0.09 0.00 0.00 178.44 179.37 1de2 h THR 53 N 0.36 1.20 -0.55 0.22 2.02 -1.22 -2.44 112.91 112.50 1de2 h THR 53 Ca 0.32 -0.68 -0.09 0.00 0.77 0.00 0.00 66.41 66.74 1de2 h THR 53 Cb 0.44 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1de2 h THR 53 CO -0.35 0.25 -0.00 0.11 0.37 0.00 0.00 175.52 175.90 1de2 h LYS 54 N 0.68 0.95 0.00 6.66 1.79 0.27 -3.30 116.57 123.62 1de2 h LYS 54 Ca 0.16 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1de2 h LYS 54 Cb 0.22 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1de2 h LYS 54 CO -0.01 0.94 0.00 1.28 -1.08 0.00 0.00 179.45 180.58 1de2 n LEU 55 N -4.19 0.00 0.00 2.94 4.77 -0.49 -4.89 117.00 115.14 1de2 n LEU 55 Ca 0.03 0.99 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 1de2 n LEU 55 Cb 0.33 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1de2 n LEU 55 CO 0.43 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 1de2 n GLY 56 N -0.99 -0.76 1.60 -0.72 0.00 -1.11 -5.03 105.19 98.17 1de2 n GLY 56 Ca 0.00 0.64 -0.02 0.00 0.00 0.00 0.00 46.02 46.64 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 0.36 0.00 1.61 1.74 -1.26 -4.70 116.66 114.41 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 0.07 0.00 0.00 -1.02 0.00 0.00 32.46 31.51 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 -0.07 0.00 -4.62 0.55 8.00 -1.26 -5.17 116.55 113.97 1de2 n ASP 58 Ca -0.10 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.12 1de2 n ASP 58 Cb 0.90 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.89 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 2.84 1.98 -0.66 -3.53 -1.32 -1.26 -5.04 115.64 108.66 1de2 s THR 59 Ca 0.00 -2.00 -0.26 0.00 -1.21 0.00 0.00 61.69 58.22 1de2 s THR 59 Cb 0.00 -2.98 -0.02 0.00 -1.51 0.00 0.00 72.50 67.98 1de2 s THR 59 CO 0.00 0.00 1.86 0.00 -2.21 0.00 0.00 174.62 174.27 1de2 s GLN 60 N -3.71 2.63 -1.14 7.08 -2.07 -1.26 -4.90 119.66 116.29 1de2 s GLN 60 Ca 0.34 0.44 -0.21 0.00 -1.82 0.00 0.00 55.36 54.12 1de2 s GLN 60 Cb 0.10 -4.49 0.05 0.00 -1.09 0.00 0.00 33.01 27.58 1de2 s GLN 60 CO 0.18 -2.82 1.59 0.42 -1.32 0.00 0.00 175.29 173.34 1de2 s ILE 61 N 9.13 3.99 -1.52 3.63 1.01 -1.26 -4.14 121.20 132.05 1de2 s ILE 61 Ca 0.67 -1.26 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1de2 s ILE 61 Cb -0.12 -5.10 0.00 0.00 0.01 0.00 0.00 42.46 37.26 1de2 s ILE 61 CO 0.17 -1.95 0.00 0.61 0.00 0.00 0.00 174.94 173.77 1de2 n GLY 62 N 6.22 -0.12 3.67 6.18 0.00 -1.26 -4.83 105.19 115.05 1de2 n GLY 62 Ca 0.40 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.78 1.88 -4.70 0.99 7.99 -1.26 -4.94 117.00 114.18 1de2 n LEU 63 Ca -0.20 1.11 -0.35 0.00 -0.01 0.00 0.00 56.01 56.56 1de2 n LEU 63 Cb 0.64 -1.11 -0.09 0.00 -0.11 0.00 0.00 43.42 42.75 1de2 n LEU 63 CO 0.24 -0.75 -0.26 0.42 -1.51 0.00 0.00 177.39 175.53 1de2 s THR 64 N 2.40 4.70 0.11 -5.08 -4.23 -1.26 -5.11 115.64 107.17 1de2 s THR 64 Ca 0.95 -0.09 0.03 0.00 -1.18 0.00 0.00 61.69 61.40 1de2 s THR 64 Cb -1.10 -3.04 -0.04 0.00 1.34 0.00 0.00 72.50 69.66 1de2 s THR 64 CO 0.62 0.56 0.17 -0.04 -0.54 0.00 0.00 174.62 175.39 1de2 s MET 65 N -0.49 3.15 0.26 3.99 1.00 -1.26 -3.97 119.30 121.98 1de2 s MET 65 Ca 0.10 -0.65 -0.22 0.00 0.00 0.00 0.00 55.69 54.92 1de2 s MET 65 Cb -0.12 -2.84 -0.09 0.00 0.00 0.00 0.00 34.83 31.78 1de2 s MET 65 CO 0.02 0.55 0.81 -1.25 0.00 0.00 0.00 175.02 175.15 1de2 s PRO 66 N -2.76 4.37 0.15 2.03 0.05 -1.26 -5.05 135.00 132.52 1de2 s PRO 66 Ca 0.32 1.03 0.04 0.00 0.05 0.00 0.00 61.00 62.45 1de2 s PRO 66 Cb -0.12 -2.83 -0.04 0.00 0.05 0.00 0.00 34.50 31.56 1de2 s PRO 66 CO 0.25 0.34 0.16 -0.65 0.05 0.00 0.00 177.00 177.16 1de2 s GLN 67 N -2.04 3.02 0.23 4.56 -1.52 0.21 -4.61 119.66 119.51 1de2 s GLN 67 Ca 0.46 -0.78 0.10 0.00 -1.95 0.00 0.00 55.36 53.19 1de2 s GLN 67 Cb -0.17 -2.73 -0.05 0.00 -0.22 0.00 0.00 33.01 29.84 1de2 s GLN 67 CO 0.22 0.51 -0.18 0.08 -0.25 0.00 0.00 175.29 175.67 1de2 s VAL 68 N -1.69 2.09 -0.04 1.09 1.01 -0.87 0.11 120.40 122.09 1de2 s VAL 68 Ca 0.32 -2.26 -0.02 0.00 0.00 0.00 0.00 61.98 60.01 1de2 s VAL 68 Cb -0.11 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.16 1de2 s VAL 68 CO 0.24 -0.47 0.10 -0.36 0.00 0.00 0.00 175.10 174.61 1de2 s PHE 69 N -2.64 -0.10 0.59 5.22 0.08 0.39 -2.28 117.98 119.24 1de2 s PHE 69 Ca 0.25 0.32 -0.19 0.00 0.12 0.00 0.00 56.93 57.44 1de2 s PHE 69 Cb -0.03 -0.09 -0.04 0.00 -0.57 0.00 0.00 43.02 42.29 1de2 s PHE 69 CO 0.10 -0.11 1.20 0.00 -0.10 0.00 0.00 175.22 176.31 1de2 s ALA 70 N 0.85 2.55 0.30 5.36 0.00 0.02 -1.43 121.76 129.41 1de2 s ALA 70 Ca -0.07 0.99 0.06 0.00 0.00 0.00 0.00 51.96 52.94 1de2 s ALA 70 Cb -0.09 -3.44 0.81 0.00 0.00 0.00 0.00 23.12 20.40 1de2 s ALA 70 CO -0.04 -1.15 1.66 -1.35 0.00 0.00 0.00 175.76 174.88 1de2 h PRO 71 N 0.88 0.27 0.00 0.00 0.11 -1.84 0.43 132.00 131.85 1de2 h PRO 71 Ca -0.50 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.48 1de2 h PRO 71 Cb 1.29 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1de2 h PRO 71 CO 0.55 0.18 -0.53 -0.44 -0.21 0.00 0.00 178.00 177.55 1de2 h ASP 72 N 0.28 0.00 0.00 -2.05 3.32 -1.91 -3.40 116.42 112.66 1de2 h ASP 72 Ca 0.60 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.65 1de2 h ASP 72 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1de2 h ASP 72 CO -0.62 0.53 0.00 0.61 -1.72 0.00 0.00 179.24 178.04 1de2 n GLY 73 N 0.15 0.83 3.63 2.75 0.00 0.15 -5.16 105.19 107.54 1de2 n GLY 73 Ca -0.01 -0.59 -0.05 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.02 -0.90 -0.27 1.61 0.01 -1.24 -4.89 113.70 108.00 1de2 s SER 74 Ca 0.00 1.39 -0.29 0.00 1.31 0.00 0.00 55.95 58.36 1de2 s SER 74 Cb 0.00 1.56 -0.06 0.00 0.21 0.00 0.00 66.02 67.72 1de2 s SER 74 CO 0.00 -0.21 2.25 1.57 0.41 0.00 0.00 173.24 177.25 1de2 n HIS 75 N 4.48 1.84 0.09 2.43 -0.00 -1.26 -0.80 115.22 122.01 1de2 n HIS 75 Ca -0.18 -0.04 -0.23 0.00 0.46 0.00 0.00 57.72 57.73 1de2 n HIS 75 Cb 0.57 -2.69 -0.15 0.00 -0.12 0.00 0.00 29.99 27.59 1de2 n HIS 75 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 1de2 h ILE 76 N 7.22 1.27 0.00 3.57 2.04 -1.81 -3.48 117.51 126.32 1de2 h ILE 76 Ca -0.37 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 62.90 1de2 h ILE 76 Cb 1.26 3.02 0.00 0.00 -0.74 0.00 0.00 36.82 40.35 1de2 h ILE 76 CO 0.99 0.78 0.00 0.61 0.00 0.00 0.00 178.15 180.53 1de2 n GLY 77 N 1.73 0.38 0.00 5.37 0.00 -1.25 -4.39 105.19 107.03 1de2 n GLY 77 Ca -0.18 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.91 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 0.86 0.00 -0.02 0.00 -1.26 -2.05 105.19 102.72 1de2 n GLY 78 Ca 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 -0.83 1.61 3.04 -1.96 -2.38 116.94 116.42 1de2 h PHE 79 Ca 0.00 0.00 0.18 0.00 3.98 0.00 0.00 57.97 62.13 1de2 h PHE 79 Cb 0.00 0.00 -0.11 0.00 2.56 0.00 0.00 35.95 38.40 1de2 h PHE 79 CO 0.00 0.00 0.34 0.22 -2.02 0.00 0.00 178.31 176.85 1de2 h ASP 80 N -0.07 0.30 -0.55 0.41 3.58 -1.99 0.74 116.42 118.84 1de2 h ASP 80 Ca 0.00 0.13 -0.05 0.00 0.42 0.00 0.00 57.03 57.53 1de2 h ASP 80 Cb 0.01 0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 1de2 h ASP 80 CO 0.00 0.06 0.14 -0.61 -2.88 0.00 0.00 179.24 175.94 1de2 h GLN 81 N 0.43 0.88 -0.22 0.28 4.15 -1.90 -2.86 115.11 115.87 1de2 h GLN 81 Ca 0.49 -0.21 -0.17 0.00 0.77 0.00 0.00 58.65 59.53 1de2 h GLN 81 Cb 0.83 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.41 1de2 h GLN 81 CO -0.47 0.83 -0.51 1.25 -1.93 0.00 0.00 178.83 178.00 1de2 h LEU 82 N 0.78 0.83 -1.48 -2.39 6.46 -0.29 -2.66 115.31 116.56 1de2 h LEU 82 Ca 0.17 -0.56 0.22 0.00 -0.12 0.00 0.00 57.88 57.60 1de2 h LEU 82 Cb 0.34 -0.24 -0.07 0.00 -0.73 0.00 0.00 40.66 39.96 1de2 h LEU 82 CO 0.00 1.24 0.63 -0.09 -0.62 0.00 0.00 178.44 179.59 1de2 h ARG 83 N 0.46 0.39 -0.25 1.25 2.43 0.42 1.63 114.38 120.71 1de2 h ARG 83 Ca -0.00 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 1de2 h ARG 83 Cb 1.12 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1de2 h ARG 83 CO 0.11 0.26 -0.35 0.93 -1.51 0.00 0.00 179.97 179.40 1de2 h GLU 84 N 0.40 0.55 -0.17 0.20 5.08 -1.28 1.03 114.58 120.38 1de2 h GLU 84 Ca 0.51 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.56 1de2 h GLU 84 Cb 1.28 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1de2 h GLU 84 CO -0.20 0.83 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.58 1de2 h TYR 85 N 0.46 0.29 0.00 4.33 5.03 0.26 -2.53 116.97 124.80 1de2 h TYR 85 Ca 0.05 -0.03 -0.20 0.00 2.58 0.00 0.00 58.73 61.12 1de2 h TYR 85 Cb 0.83 -0.08 -0.04 0.00 1.55 0.00 0.00 36.73 39.00 1de2 h TYR 85 CO 0.03 0.40 -1.48 0.74 -1.32 0.00 0.00 178.16 176.54 1de2 h PHE 86 N 0.26 0.00 0.00 -3.82 -1.00 -0.17 -3.51 116.94 108.70 1de2 h PHE 86 Ca 0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.83 1de2 h PHE 86 Cb 0.39 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.95 1de2 h PHE 86 CO 0.01 0.71 0.00 1.63 -1.61 0.00 0.00 178.31 179.05