#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 0.10 -4.01 1.12 3.01 -0.81 -4.16 117.46 112.71 1de2 n PHE 2 Ca 0.00 0.36 -0.30 0.00 1.01 0.00 0.00 57.45 58.52 1de2 n PHE 2 Cb 0.00 -2.00 -0.16 0.00 -0.01 0.00 0.00 39.48 37.31 1de2 n PHE 2 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1de2 s LYS 3 N -3.41 2.25 -0.15 -1.08 3.01 0.02 -0.43 119.74 119.95 1de2 s LYS 3 Ca 0.69 -0.59 -0.01 0.00 -1.01 0.00 0.00 55.97 55.05 1de2 s LYS 3 Cb -0.31 -2.14 -0.01 0.00 -1.01 0.00 0.00 37.83 34.36 1de2 s LYS 3 CO 0.55 -0.26 -0.12 0.08 0.51 0.00 0.00 175.35 176.10 1de2 s VAL 4 N 1.48 2.98 -0.40 3.17 1.01 -0.96 0.45 120.40 128.13 1de2 s VAL 4 Ca 0.04 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 1de2 s VAL 4 Cb -0.13 -2.27 0.08 0.00 0.00 0.00 0.00 36.38 34.06 1de2 s VAL 4 CO -0.10 0.51 0.21 -0.31 0.00 0.00 0.00 175.10 175.40 1de2 s TYR 5 N 0.66 3.38 0.00 5.22 2.02 0.36 -1.20 117.35 127.79 1de2 s TYR 5 Ca -0.07 -1.77 0.00 0.00 -0.37 0.00 0.00 57.07 54.86 1de2 s TYR 5 Cb -0.15 -2.89 0.00 0.00 -0.40 0.00 0.00 41.96 38.52 1de2 s TYR 5 CO 0.02 -0.87 0.00 0.41 -1.57 0.00 0.00 175.55 173.55 1de2 n GLY 6 N 4.80 3.22 3.45 0.71 0.00 -0.82 0.37 105.19 116.91 1de2 n GLY 6 Ca -0.09 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 0.24 2.15 0.00 1.61 2.02 -1.26 0.40 117.35 122.51 1de2 s TYR 7 Ca 0.00 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 1de2 s TYR 7 Cb 0.00 -0.98 0.00 0.00 -0.40 0.00 0.00 41.96 40.58 1de2 s TYR 7 CO 0.00 0.61 0.00 -3.47 -1.57 0.00 0.00 175.55 171.12 1de2 n ASP 8 N -0.58 0.00 0.00 2.29 2.03 -1.26 -4.87 116.55 114.17 1de2 n ASP 8 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 1de2 n ASP 8 Cb 0.60 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 1de2 n ASP 8 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1de2 n SER 9 N -2.19 0.00 -0.12 1.67 2.88 -0.73 -4.65 113.62 110.48 1de2 n SER 9 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1de2 n SER 9 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 0.55 0.13 -3.46 2.35 -1.99 -3.31 115.58 109.84 1de2 h ASN 10 Ca 0.00 -0.24 -0.36 0.00 -0.55 0.00 0.00 56.30 55.15 1de2 h ASN 10 Cb 0.00 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1de2 h ASN 10 CO 0.00 0.64 -1.99 -0.38 -1.65 0.00 0.00 177.43 174.06 1de2 n ILE 11 N -4.60 1.79 -3.75 2.81 2.08 -1.26 -4.99 119.36 111.43 1de2 n ILE 11 Ca -0.01 -0.65 -0.12 0.00 0.56 0.00 0.00 62.75 62.52 1de2 n ILE 11 Cb 0.20 -1.74 -0.08 0.00 -0.75 0.00 0.00 39.64 37.27 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 -2.56 -0.15 0.79 1.39 2.46 -1.25 -4.80 115.29 111.18 1de2 s HIS 12 Ca -0.22 0.13 -0.11 0.00 0.47 0.00 0.00 55.06 55.32 1de2 s HIS 12 Cb 0.07 0.10 0.08 0.00 -0.13 0.00 0.00 32.58 32.69 1de2 s HIS 12 CO 0.77 -0.45 1.16 -1.59 -2.47 0.00 0.00 174.74 172.15 1de2 s LYS 13 N -1.95 2.01 0.00 2.88 -2.85 -1.26 -1.77 119.74 116.80 1de2 s LYS 13 Ca -0.09 0.08 0.00 0.00 -1.00 0.00 0.00 55.97 54.95 1de2 s LYS 13 Cb -0.03 -1.98 0.00 0.00 -2.06 0.00 0.00 37.83 33.76 1de2 s LYS 13 CO 0.01 -1.54 0.00 0.00 0.10 0.00 0.00 175.35 173.92 1de2 h VAL 15 N 0.00 0.99 0.00 0.00 -1.51 -1.97 -3.32 116.25 110.43 1de2 h VAL 15 Ca 0.00 -2.72 -0.01 0.00 -1.23 0.00 0.00 66.70 62.74 1de2 h VAL 15 Cb 0.00 2.61 -0.00 0.00 -2.13 0.00 0.00 31.29 31.77 1de2 h VAL 15 CO 0.00 0.74 -0.04 1.88 -1.23 0.00 0.00 177.57 178.92 1de2 h TYR 16 N 0.04 0.00 0.22 5.19 -1.99 -1.96 -2.61 116.97 115.86 1de2 h TYR 16 Ca -0.28 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.44 1de2 h TYR 16 Cb 2.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.73 1de2 h TYR 16 CO 0.04 0.04 -0.11 0.00 -0.00 0.00 0.00 178.16 178.13 1de2 h ASP 18 N -0.63 0.41 0.36 0.00 3.58 -1.68 0.38 116.42 118.84 1de2 h ASP 18 Ca -0.03 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 1de2 h ASP 18 Cb 0.23 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1de2 h ASP 18 CO 0.05 0.12 -0.17 0.78 -2.88 0.00 0.00 179.24 177.13 1de2 h ASN 19 N 0.38 -0.41 -0.46 2.28 2.35 -1.53 -2.96 115.58 115.22 1de2 h ASN 19 Ca 0.54 -0.05 0.11 0.00 -0.55 0.00 0.00 56.30 56.35 1de2 h ASN 19 Cb 1.41 0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.86 1de2 h ASN 19 CO -0.23 0.04 0.32 0.00 -1.65 0.00 0.00 177.43 175.91 1de2 h ALA 20 N -0.99 2.25 0.43 -0.83 0.00 -0.47 -1.15 119.26 118.50 1de2 h ALA 20 Ca -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1de2 h ALA 20 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1de2 h ALA 20 CO 0.08 -0.37 -0.21 -0.22 0.00 0.00 0.00 179.25 178.54 1de2 h LYS 21 N 0.14 -0.56 0.00 0.00 3.64 -0.31 -2.53 116.57 116.97 1de2 h LYS 21 Ca 0.22 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1de2 h LYS 21 Cb 0.68 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1de2 h LYS 21 CO -0.03 -0.34 -0.15 -0.09 -2.27 0.00 0.00 179.45 176.57 1de2 h ARG 22 N -0.63 0.00 0.82 1.90 9.65 -1.21 -2.82 114.38 122.09 1de2 h ARG 22 Ca -0.06 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.78 1de2 h ARG 22 Cb 0.47 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.06 1de2 h ARG 22 CO 0.10 0.15 -0.40 1.25 2.80 0.00 0.00 179.97 183.87 1de2 h LEU 23 N 0.00 -0.96 -0.71 3.80 6.46 -0.82 0.30 115.31 123.38 1de2 h LEU 23 Ca -0.00 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1de2 h LEU 23 Cb 0.44 0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.59 1de2 h LEU 23 CO 0.02 -0.68 0.46 -0.07 -0.62 0.00 0.00 178.44 177.55 1de2 h LEU 24 N -1.11 0.84 -0.85 2.25 3.38 -1.42 0.17 115.31 118.56 1de2 h LEU 24 Ca -0.11 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1de2 h LEU 24 Cb 0.86 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1de2 h LEU 24 CO 0.18 0.63 0.51 0.74 0.09 0.00 0.00 178.44 180.58 1de2 h THR 25 N 0.97 1.24 0.00 0.22 2.02 -1.37 -1.77 112.91 114.21 1de2 h THR 25 Ca 0.26 -0.53 -0.10 0.00 0.77 0.00 0.00 66.41 66.82 1de2 h THR 25 Cb -0.08 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.37 1de2 h THR 25 CO -0.05 0.25 -0.46 0.58 0.37 0.00 0.00 175.52 176.21 1de2 h VAL 26 N 1.16 1.01 -0.27 3.16 2.07 0.17 -3.19 116.25 120.36 1de2 h VAL 26 Ca 0.30 -1.80 -0.08 0.00 0.82 0.00 0.00 66.70 65.94 1de2 h VAL 26 Cb -0.04 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1de2 h VAL 26 CO -0.06 0.45 -0.14 0.50 0.02 0.00 0.00 177.57 178.35 1de2 h LYS 27 N 0.00 0.57 0.00 1.57 1.63 0.13 -3.48 116.57 116.99 1de2 h LYS 27 Ca -0.00 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1de2 h LYS 27 Cb 1.04 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 1de2 h LYS 27 CO 0.06 0.82 0.00 0.36 -3.45 0.00 0.00 179.45 177.24 1de2 n LYS 28 N -4.44 0.00 -4.78 1.90 0.00 -0.76 -5.09 118.16 104.99 1de2 n LYS 28 Ca -0.04 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.02 1de2 n LYS 28 Cb 0.36 0.00 -0.15 0.00 -0.00 0.00 0.00 35.03 35.25 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 -0.36 1.43 0.30 -1.58 1.11 -1.06 -5.07 119.66 114.42 1de2 s GLN 29 Ca 0.00 -0.75 -0.27 0.00 0.01 0.00 0.00 55.36 54.35 1de2 s GLN 29 Cb 0.00 -1.43 -0.10 0.00 -1.01 0.00 0.00 33.01 30.47 1de2 s GLN 29 CO 0.00 0.38 0.93 -1.25 0.01 0.00 0.00 175.29 175.36 1de2 s PRO 30 N -0.70 4.62 0.19 2.91 0.04 -1.26 -4.29 135.00 136.51 1de2 s PRO 30 Ca 0.07 1.33 -0.07 0.00 0.04 0.00 0.00 61.00 62.37 1de2 s PRO 30 Cb -0.08 -2.91 -0.02 0.00 0.04 0.00 0.00 34.50 31.54 1de2 s PRO 30 CO 0.00 0.34 0.27 -0.59 0.04 0.00 0.00 177.00 177.06 1de2 s PHE 31 N -1.52 0.64 -0.05 0.56 -0.12 -1.26 -1.92 117.98 114.31 1de2 s PHE 31 Ca 0.48 -0.97 0.00 0.00 -0.05 0.00 0.00 56.93 56.39 1de2 s PHE 31 Cb -0.20 -0.17 0.03 0.00 -0.63 0.00 0.00 43.02 42.04 1de2 s PHE 31 CO 0.25 -0.75 -0.02 -1.21 -0.05 0.00 0.00 175.22 173.45 1de2 s GLU 32 N -4.04 0.61 0.35 1.99 2.02 0.43 -4.82 118.70 115.24 1de2 s GLU 32 Ca 0.25 0.02 -0.06 0.00 0.02 0.00 0.00 54.97 55.20 1de2 s GLU 32 Cb 0.04 -0.80 -0.05 0.00 0.10 0.00 0.00 34.13 33.42 1de2 s GLU 32 CO 0.06 -0.18 0.65 0.12 0.02 0.00 0.00 175.26 175.93 1de2 s PHE 33 N 1.33 3.49 -0.17 1.61 5.36 -1.26 -2.26 117.98 126.07 1de2 s PHE 33 Ca -0.05 0.76 -0.07 0.00 -0.96 0.00 0.00 56.93 56.62 1de2 s PHE 33 Cb -0.13 -2.22 0.08 0.00 -0.34 0.00 0.00 43.02 40.41 1de2 s PHE 33 CO -0.02 0.03 0.37 0.42 -1.46 0.00 0.00 175.22 174.56 1de2 s ILE 34 N -2.27 -0.43 -0.45 3.12 1.01 -0.34 -4.90 121.20 116.94 1de2 s ILE 34 Ca 0.46 0.18 -0.29 0.00 0.00 0.00 0.00 60.65 61.00 1de2 s ILE 34 Cb -0.10 -0.59 0.02 0.00 0.01 0.00 0.00 42.46 41.80 1de2 s ILE 34 CO 0.33 0.07 1.24 0.20 0.00 0.00 0.00 174.94 176.78 1de2 s ASN 35 N 2.24 6.52 0.62 3.58 0.01 -1.26 -1.95 114.94 124.70 1de2 s ASN 35 Ca -0.03 0.61 0.39 0.00 -0.71 0.00 0.00 52.86 53.12 1de2 s ASN 35 Cb -0.11 -2.55 2.02 0.00 0.41 0.00 0.00 41.25 41.02 1de2 s ASN 35 CO -0.12 -1.32 2.24 0.16 -1.51 0.00 0.00 177.10 176.56 1de2 h ILE 36 N 6.31 0.13 -3.02 0.60 3.07 -0.38 -3.33 117.51 120.89 1de2 h ILE 36 Ca -0.25 -0.18 -0.61 0.00 1.55 0.00 0.00 64.86 65.37 1de2 h ILE 36 Cb 1.08 1.16 -0.40 0.00 -0.27 0.00 0.00 36.82 38.38 1de2 h ILE 36 CO 1.11 0.02 -0.72 -0.32 -1.05 0.00 0.00 178.15 177.19 1de2 s MET 37 N -4.10 1.46 0.00 0.16 0.00 -1.26 -0.12 119.30 115.45 1de2 s MET 37 Ca -0.03 -2.21 0.24 0.00 0.00 0.00 0.00 55.69 53.69 1de2 s MET 37 Cb 0.12 -2.52 1.42 0.00 0.00 0.00 0.00 34.83 33.86 1de2 s MET 37 CO 0.48 -1.18 1.83 -0.35 0.00 0.00 0.00 175.02 175.80 1de2 n PRO 38 N 3.32 0.85 -3.90 4.11 -0.04 -1.25 -4.73 135.00 133.36 1de2 n PRO 38 Ca 0.10 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.43 1de2 n PRO 38 Cb 0.35 -1.44 -0.14 0.00 -0.04 0.00 0.00 33.50 32.23 1de2 n PRO 38 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1de2 s GLU 39 N -2.00 0.06 0.00 0.54 2.02 -1.26 -5.01 118.70 113.04 1de2 s GLU 39 Ca 0.36 -0.01 0.10 0.00 0.02 0.00 0.00 54.97 55.44 1de2 s GLU 39 Cb 0.16 -0.07 0.46 0.00 0.10 0.00 0.00 34.13 34.79 1de2 s GLU 39 CO 0.28 0.00 1.29 1.17 0.02 0.00 0.00 175.26 178.02 1de2 n LYS 40 N 3.14 0.05 -0.04 1.61 4.81 -1.26 -3.32 118.16 123.15 1de2 n LYS 40 Ca -0.13 0.28 -0.02 0.00 -0.87 0.00 0.00 58.31 57.57 1de2 n LYS 40 Cb 0.59 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.13 1de2 n LYS 40 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1de2 h GLY 41 N 1.74 0.00 -5.12 3.14 0.00 -1.96 -3.49 103.07 97.37 1de2 h GLY 41 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1de2 h GLY 41 CO 0.00 0.00 -0.46 0.14 0.00 0.00 0.00 176.54 176.22 1de2 s VAL 42 N -1.63 0.03 1.05 4.60 1.01 -1.21 -5.16 120.40 119.09 1de2 s VAL 42 Ca -0.06 -0.24 -0.12 0.00 0.00 0.00 0.00 61.98 61.56 1de2 s VAL 42 Cb 0.01 -0.37 0.22 0.00 0.00 0.00 0.00 36.38 36.24 1de2 s VAL 42 CO 0.09 -0.13 1.07 0.72 0.00 0.00 0.00 175.10 176.84 1de2 s PHE 43 N -0.45 1.78 -0.29 5.22 -0.71 -1.26 -4.19 117.98 118.08 1de2 s PHE 43 Ca -0.05 1.16 -0.19 0.00 -1.04 0.00 0.00 56.93 56.80 1de2 s PHE 43 Cb -0.04 -3.18 -0.02 0.00 -1.21 0.00 0.00 43.02 38.58 1de2 s PHE 43 CO 0.01 -3.24 0.55 0.34 -1.34 0.00 0.00 175.22 171.54 1de2 s ASP 44 N -3.01 6.43 0.22 1.98 -1.08 0.83 -4.92 116.67 117.12 1de2 s ASP 44 Ca 0.66 0.38 0.23 0.00 -0.52 0.00 0.00 52.55 53.30 1de2 s ASP 44 Cb -0.21 -2.30 0.93 0.00 -1.46 0.00 0.00 42.92 39.88 1de2 s ASP 44 CO 0.60 -0.39 1.70 0.47 0.52 0.00 0.00 175.17 178.07 1de2 n ASP 45 N 5.70 0.60 0.38 -0.34 8.00 -1.26 -2.76 116.55 126.87 1de2 n ASP 45 Ca -0.03 0.63 -0.15 0.00 0.71 0.00 0.00 54.79 55.95 1de2 n ASP 45 Cb 0.49 -0.76 -0.07 0.00 -0.02 0.00 0.00 41.12 40.76 1de2 n ASP 45 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1de2 h GLU 46 N 0.00 -0.95 -0.61 -1.24 4.81 -1.95 0.88 114.58 115.53 1de2 h GLU 46 Ca 0.00 0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1de2 h GLU 46 Cb 0.40 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 1de2 h GLU 46 CO 0.00 -0.63 0.13 0.87 -0.73 0.00 0.00 179.01 178.65 1de2 h LYS 47 N -1.16 0.98 -0.29 1.92 6.56 -1.94 -2.48 116.57 120.17 1de2 h LYS 47 Ca -0.10 -0.24 -0.06 0.00 -1.06 0.00 0.00 60.65 59.19 1de2 h LYS 47 Cb 0.75 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 32.27 1de2 h LYS 47 CO 0.16 0.91 -0.07 0.82 -2.06 0.00 0.00 179.45 179.21 1de2 h ILE 48 N 0.89 1.20 -0.28 1.86 2.04 -1.53 -2.77 117.51 118.92 1de2 h ILE 48 Ca 0.19 -0.86 0.02 0.00 1.00 0.00 0.00 64.86 65.22 1de2 h ILE 48 Cb 0.38 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1de2 h ILE 48 CO 0.00 0.28 0.12 0.00 0.00 0.00 0.00 178.15 178.56 1de2 h ALA 49 N 1.50 0.33 -0.77 1.87 0.00 0.13 -1.76 119.26 120.56 1de2 h ALA 49 Ca 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1de2 h ALA 49 Cb 0.39 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1de2 h ALA 49 CO 0.02 -0.27 0.45 1.49 0.00 0.00 0.00 179.25 180.94 1de2 h GLU 50 N 0.27 1.05 0.11 0.00 4.81 -1.32 -2.72 114.58 116.77 1de2 h GLU 50 Ca 0.12 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1de2 h GLU 50 Cb 0.06 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1de2 h GLU 50 CO -0.10 0.74 -0.13 1.25 -0.73 0.00 0.00 179.01 180.04 1de2 h LEU 51 N 1.06 -0.36 -0.75 1.64 5.85 -1.10 -1.11 115.31 120.55 1de2 h LEU 51 Ca 0.28 0.04 0.14 0.00 0.84 0.00 0.00 57.88 59.18 1de2 h LEU 51 Cb -0.02 0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.04 1de2 h LEU 51 CO -0.05 -0.20 0.30 -0.07 -0.34 0.00 0.00 178.44 178.07 1de2 h LEU 52 N -0.28 0.27 -1.19 2.25 3.38 -1.05 0.17 115.31 118.86 1de2 h LEU 52 Ca 0.01 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1de2 h LEU 52 Cb 0.28 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1de2 h LEU 52 CO -0.06 0.10 0.11 0.74 0.09 0.00 0.00 178.44 179.42 1de2 h THR 53 N 0.44 1.20 -0.58 0.22 2.02 -1.17 -2.47 112.91 112.57 1de2 h THR 53 Ca 0.41 -0.71 -0.10 0.00 0.77 0.00 0.00 66.41 66.78 1de2 h THR 53 Cb 0.62 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1de2 h THR 53 CO -0.40 0.26 -0.03 0.11 0.37 0.00 0.00 175.52 175.83 1de2 h LYS 54 N 0.65 1.04 0.23 6.66 1.79 0.56 -3.29 116.57 124.21 1de2 h LYS 54 Ca 0.15 -0.35 -0.01 0.00 -2.18 0.00 0.00 60.65 58.26 1de2 h LYS 54 Cb 0.25 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1de2 h LYS 54 CO -0.00 1.04 -0.11 -0.07 -1.08 0.00 0.00 179.45 179.23 1de2 h LEU 55 N 0.93 -0.26 0.00 2.94 3.38 -0.72 -3.45 115.31 118.12 1de2 h LEU 55 Ca 0.16 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1de2 h LEU 55 Cb 0.59 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1de2 h LEU 55 CO 0.04 -0.19 0.00 0.61 0.09 0.00 0.00 178.44 178.99 1de2 n GLY 56 N -1.15 -1.12 1.45 0.83 0.00 -1.01 -5.02 105.19 99.17 1de2 n GLY 56 Ca -0.04 0.70 -0.02 0.00 0.00 0.00 0.00 46.02 46.66 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 0.22 0.00 1.61 1.74 -1.26 -4.63 116.66 114.33 1de2 n ARG 57 Ca 0.00 -1.60 0.00 0.00 -0.77 0.00 0.00 57.85 55.48 1de2 n ARG 57 Cb 0.00 0.15 0.00 0.00 -1.02 0.00 0.00 32.46 31.59 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 0.05 0.00 -4.61 0.55 9.92 -1.26 -5.17 116.55 116.02 1de2 n ASP 58 Ca -0.11 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.87 1de2 n ASP 58 Cb 0.90 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 41.28 1de2 n ASP 58 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1de2 s THR 59 N 2.06 1.93 -0.67 -3.53 -1.32 -1.26 -5.03 115.64 107.83 1de2 s THR 59 Ca 0.00 -2.00 -0.21 0.00 -1.21 0.00 0.00 61.69 58.27 1de2 s THR 59 Cb 0.00 -2.97 0.08 0.00 -1.51 0.00 0.00 72.50 68.11 1de2 s THR 59 CO 0.00 0.00 0.92 -1.10 -2.21 0.00 0.00 174.62 172.23 1de2 s GLN 60 N -3.73 3.14 -1.06 7.08 -0.21 -1.26 -4.97 119.66 118.66 1de2 s GLN 60 Ca 0.34 -1.04 -0.22 0.00 0.02 0.00 0.00 55.36 54.46 1de2 s GLN 60 Cb 0.10 -4.30 0.03 0.00 1.00 0.00 0.00 33.01 29.84 1de2 s GLN 60 CO 0.18 -1.75 1.58 -1.50 -2.12 0.00 0.00 175.29 171.68 1de2 s ILE 61 N 3.60 3.87 -1.11 1.08 -1.16 -1.26 -4.10 121.20 122.12 1de2 s ILE 61 Ca 0.21 -0.90 0.00 0.00 -0.51 0.00 0.00 60.65 59.44 1de2 s ILE 61 Cb -0.17 -4.92 0.00 0.00 0.61 0.00 0.00 42.46 37.98 1de2 s ILE 61 CO 0.07 -1.78 0.00 0.61 -2.81 0.00 0.00 174.94 171.03 1de2 n GLY 62 N 6.60 -0.48 3.28 1.50 0.00 -1.26 -4.88 105.19 109.95 1de2 n GLY 62 Ca 0.37 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.81 -2.14 -4.76 0.99 7.99 -1.26 -4.98 117.00 110.04 1de2 n LEU 63 Ca -0.15 0.41 -0.31 0.00 -0.01 0.00 0.00 56.01 55.94 1de2 n LEU 63 Cb 0.61 -1.03 -0.07 0.00 -0.11 0.00 0.00 43.42 42.83 1de2 n LEU 63 CO 0.18 -4.37 -0.27 0.42 -1.51 0.00 0.00 177.39 171.84 1de2 s THR 64 N -2.07 4.52 0.18 -5.08 -4.23 -1.26 -5.13 115.64 102.56 1de2 s THR 64 Ca 0.54 -0.64 0.11 0.00 -1.18 0.00 0.00 61.69 60.52 1de2 s THR 64 Cb -0.28 -3.12 -0.04 0.00 1.34 0.00 0.00 72.50 70.39 1de2 s THR 64 CO 0.69 0.23 -0.24 -0.04 -0.54 0.00 0.00 174.62 174.72 1de2 s MET 65 N -2.07 1.54 0.42 3.99 -1.94 -1.26 -4.07 119.30 115.91 1de2 s MET 65 Ca 0.26 -1.46 -0.22 0.00 -1.71 0.00 0.00 55.69 52.56 1de2 s MET 65 Cb -0.12 -1.88 -0.10 0.00 2.01 0.00 0.00 34.83 34.73 1de2 s MET 65 CO 0.18 0.41 0.97 -2.14 -0.01 0.00 0.00 175.02 174.43 1de2 s PRO 66 N -2.54 4.21 -0.16 2.03 0.02 -1.26 -4.93 135.00 132.37 1de2 s PRO 66 Ca 0.20 1.22 -0.14 0.00 0.02 0.00 0.00 61.00 62.30 1de2 s PRO 66 Cb -0.08 -2.29 -0.05 0.00 0.02 0.00 0.00 34.50 32.10 1de2 s PRO 66 CO 0.09 -0.05 0.30 -1.14 -0.33 0.00 0.00 177.00 175.87 1de2 s GLN 67 N -2.96 4.25 0.21 5.54 2.00 0.16 -4.08 119.66 124.78 1de2 s GLN 67 Ca 0.61 0.10 0.07 0.00 -2.00 0.00 0.00 55.36 54.14 1de2 s GLN 67 Cb -0.13 -3.44 -0.04 0.00 0.80 0.00 0.00 33.01 30.21 1de2 s GLN 67 CO 0.17 0.21 0.11 0.08 -0.50 0.00 0.00 175.29 175.35 1de2 s VAL 68 N 0.56 4.18 -0.05 1.34 1.01 0.36 0.13 120.40 127.93 1de2 s VAL 68 Ca 0.17 -1.36 -0.03 0.00 0.00 0.00 0.00 61.98 60.75 1de2 s VAL 68 Cb -0.13 -3.18 0.02 0.00 0.00 0.00 0.00 36.38 33.09 1de2 s VAL 68 CO 0.04 -0.22 0.11 -0.36 0.00 0.00 0.00 175.10 174.68 1de2 s PHE 69 N -1.93 -0.12 0.98 5.22 0.40 0.17 -2.71 117.98 119.98 1de2 s PHE 69 Ca 0.31 0.33 -0.15 0.00 -0.60 0.00 0.00 56.93 56.81 1de2 s PHE 69 Cb -0.09 0.00 -0.04 0.00 0.51 0.00 0.00 43.02 43.40 1de2 s PHE 69 CO 0.22 -0.08 -0.16 0.00 0.70 0.00 0.00 175.22 175.90 1de2 n ALA 70 N 3.34 -3.95 0.22 5.36 0.00 0.19 -0.80 120.51 124.88 1de2 n ALA 70 Ca -0.16 -0.70 0.07 0.00 0.00 0.00 0.00 53.44 52.65 1de2 n ALA 70 Cb 0.57 -1.49 0.60 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.35 0.07 0.00 0.00 0.11 -1.91 -2.06 132.00 126.86 1de2 h PRO 71 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1de2 h PRO 71 Cb 1.30 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1de2 h PRO 71 CO 0.30 0.06 -1.41 -0.40 -0.21 0.00 0.00 178.00 176.33 1de2 n ASP 72 N -4.52 0.49 0.00 -2.05 5.68 -1.26 -3.59 116.55 111.31 1de2 n ASP 72 Ca -0.02 0.17 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 1de2 n ASP 72 Cb 0.10 1.10 0.00 0.00 -1.14 0.00 0.00 41.12 41.17 1de2 n ASP 72 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1de2 n GLY 73 N 1.22 1.42 3.59 6.12 0.00 -0.77 -5.14 105.19 111.63 1de2 n GLY 73 Ca -0.02 -0.64 -0.02 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.68 -0.15 1.61 0.01 -1.26 -4.82 113.70 108.41 1de2 s SER 74 Ca 0.00 1.04 -0.29 0.00 1.31 0.00 0.00 55.95 58.01 1de2 s SER 74 Cb 0.00 1.46 -0.06 0.00 0.21 0.00 0.00 66.02 67.64 1de2 s SER 74 CO 0.00 -0.16 2.00 -2.28 0.41 0.00 0.00 173.24 173.21 1de2 s HIS 75 N 1.81 1.42 -0.20 2.43 2.46 -1.26 0.54 115.29 122.49 1de2 s HIS 75 Ca -0.08 0.24 0.02 0.00 0.47 0.00 0.00 55.06 55.71 1de2 s HIS 75 Cb -0.05 -4.05 -0.13 0.00 -0.13 0.00 0.00 32.58 28.22 1de2 s HIS 75 CO -0.17 -4.26 -0.17 -0.89 -2.47 0.00 0.00 174.74 166.78 1de2 n ILE 76 N 6.80 1.14 0.00 0.89 5.41 -1.10 -4.93 119.36 127.57 1de2 n ILE 76 Ca 0.24 -0.44 0.00 0.00 1.00 0.00 0.00 62.75 63.55 1de2 n ILE 76 Cb 0.44 -1.20 0.00 0.00 -0.71 0.00 0.00 39.64 38.17 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 2.54 0.74 0.00 7.39 0.00 -1.22 -4.43 105.19 110.21 1de2 n GLY 77 Ca -0.35 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 1.47 0.00 -0.02 0.00 -1.26 0.14 105.19 105.51 1de2 n GLY 78 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1de2 n GLY 78 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1de2 n PHE 79 N 0.00 0.00 -0.07 1.61 7.35 -1.26 -2.12 117.46 122.97 1de2 n PHE 79 Ca 0.00 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.59 1de2 n PHE 79 Cb 0.00 -0.46 -0.03 0.00 0.35 0.00 0.00 39.48 39.34 1de2 n PHE 79 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1de2 h ASP 80 N 0.00 0.32 -0.93 -2.13 3.58 -1.97 0.60 116.42 115.89 1de2 h ASP 80 Ca 0.00 -0.10 0.15 0.00 0.42 0.00 0.00 57.03 57.50 1de2 h ASP 80 Cb 0.00 -0.08 -0.10 0.00 1.72 0.00 0.00 39.33 40.87 1de2 h ASP 80 CO 0.00 0.33 0.53 -0.61 -2.88 0.00 0.00 179.24 176.62 1de2 h GLN 81 N 0.28 0.72 -0.00 0.28 5.75 -1.92 -0.52 115.11 119.70 1de2 h GLN 81 Ca 0.09 -0.04 -0.22 0.00 -0.15 0.00 0.00 58.65 58.32 1de2 h GLN 81 Cb 0.09 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.48 1de2 h GLN 81 CO -0.01 0.48 -0.92 1.25 -2.65 0.00 0.00 178.83 176.97 1de2 h LEU 82 N 0.74 0.48 -2.00 -2.39 6.46 -1.04 -3.06 115.31 114.51 1de2 h LEU 82 Ca 0.51 -0.39 0.26 0.00 -0.12 0.00 0.00 57.88 58.14 1de2 h LEU 82 Cb 0.70 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.44 1de2 h LEU 82 CO -0.35 1.18 0.64 -0.09 -0.62 0.00 0.00 178.44 179.20 1de2 h ARG 83 N 0.21 0.00 -0.12 1.25 2.43 0.78 1.63 114.38 120.56 1de2 h ARG 83 Ca -0.07 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.95 1de2 h ARG 83 Cb 1.56 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.10 1de2 h ARG 83 CO 0.16 0.00 -0.57 0.93 -1.51 0.00 0.00 179.97 178.98 1de2 h GLU 84 N 0.00 0.38 -0.46 0.20 4.39 -1.37 1.22 114.58 118.94 1de2 h GLU 84 Ca 0.42 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.84 1de2 h GLU 84 Cb 1.69 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.35 1de2 h GLU 84 CO -0.00 0.85 0.13 -0.92 -1.16 0.00 0.00 179.01 177.91 1de2 h TYR 85 N 0.29 0.68 0.00 4.33 3.20 0.23 -2.56 116.97 123.14 1de2 h TYR 85 Ca 0.00 -0.04 -0.22 0.00 3.14 0.00 0.00 58.73 61.61 1de2 h TYR 85 Cb 1.09 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 39.11 1de2 h TYR 85 CO 0.03 0.57 -1.46 0.74 -1.64 0.00 0.00 178.16 176.40 1de2 h PHE 86 N 0.66 0.00 -0.02 -3.82 0.04 -0.85 -3.52 116.94 109.44 1de2 h PHE 86 Ca 0.15 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1de2 h PHE 86 Cb 0.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.36 1de2 h PHE 86 CO 0.01 0.76 0.00 1.63 -0.60 0.00 0.00 178.31 180.11