#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 -0.74 -3.65 1.12 3.01 -0.94 -4.11 117.46 112.15 1de2 n PHE 2 Ca 0.00 0.03 -0.21 0.00 1.01 0.00 0.00 57.45 58.29 1de2 n PHE 2 Cb 0.00 -1.77 -0.17 0.00 -0.01 0.00 0.00 39.48 37.53 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 -4.33 -0.02 0.04 -1.08 3.01 -0.90 -1.07 119.74 115.40 1de2 s LYS 3 Ca 0.66 0.31 0.03 0.00 -1.01 0.00 0.00 55.97 55.97 1de2 s LYS 3 Cb -0.23 -0.76 -0.04 0.00 -1.01 0.00 0.00 37.83 35.79 1de2 s LYS 3 CO 0.64 -0.41 0.02 0.08 0.51 0.00 0.00 175.35 176.19 1de2 s VAL 4 N 2.19 4.22 -0.30 3.17 1.01 -0.63 0.83 120.40 130.89 1de2 s VAL 4 Ca 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1de2 s VAL 4 Cb -0.13 -2.95 0.10 0.00 0.00 0.00 0.00 36.38 33.39 1de2 s VAL 4 CO -0.05 0.25 0.08 -0.31 0.00 0.00 0.00 175.10 175.06 1de2 s TYR 5 N -1.22 2.07 0.00 5.22 1.51 0.44 0.48 117.35 125.84 1de2 s TYR 5 Ca 0.24 -1.91 0.00 0.00 -1.01 0.00 0.00 57.07 54.39 1de2 s TYR 5 Cb -0.12 -1.88 0.00 0.00 -0.11 0.00 0.00 41.96 39.85 1de2 s TYR 5 CO 0.15 -0.87 0.00 0.41 -1.11 0.00 0.00 175.55 174.13 1de2 n GLY 6 N 4.74 3.39 3.56 0.71 0.00 0.28 0.05 105.19 117.93 1de2 n GLY 6 Ca -0.02 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 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 0.22 2.52 -0.00 1.61 1.51 -1.26 -1.38 117.35 120.57 1de2 s TYR 7 Ca 0.00 -0.27 -0.00 0.00 -1.01 0.00 0.00 57.07 55.79 1de2 s TYR 7 Cb 0.00 -1.14 -0.00 0.00 -0.11 0.00 0.00 41.96 40.71 1de2 s TYR 7 CO 0.00 0.62 0.29 0.22 -1.11 0.00 0.00 175.55 175.58 1de2 h ASP 8 N 2.29 -0.00 0.00 2.29 3.58 -1.92 -3.48 116.42 119.18 1de2 h ASP 8 Ca -0.43 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.02 1de2 h ASP 8 Cb 1.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1de2 h ASP 8 CO 0.58 0.00 0.00 -1.20 -2.88 0.00 0.00 179.24 175.74 1de2 n SER 9 N -2.04 0.00 0.12 2.28 7.64 -1.24 -4.91 113.62 115.47 1de2 n SER 9 Ca -0.00 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.94 1de2 n SER 9 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 1de2 n SER 9 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1de2 h ASN 10 N 0.00 0.00 0.10 6.43 2.35 -2.01 -3.36 115.58 119.08 1de2 h ASN 10 Ca 0.00 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.42 1de2 h ASN 10 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1de2 h ASN 10 CO 0.00 0.28 -1.77 0.40 -1.65 0.00 0.00 177.43 174.70 1de2 h ILE 11 N 0.00 0.74 -3.90 2.81 5.03 -1.95 -3.49 117.51 116.74 1de2 h ILE 11 Ca -0.04 -2.31 -0.11 0.00 -0.12 0.00 0.00 64.86 62.28 1de2 h ILE 11 Cb 1.25 2.46 -0.15 0.00 -3.03 0.00 0.00 36.82 37.35 1de2 h ILE 11 CO 0.03 0.74 -0.49 -2.28 -0.68 0.00 0.00 178.15 175.47 1de2 s HIS 12 N -2.51 0.25 0.32 1.37 2.46 -1.26 -4.78 115.29 111.15 1de2 s HIS 12 Ca -0.24 -0.67 -0.25 0.00 0.47 0.00 0.00 55.06 54.38 1de2 s HIS 12 Cb 0.06 -0.17 -0.10 0.00 -0.13 0.00 0.00 32.58 32.25 1de2 s HIS 12 CO 0.73 -0.45 0.92 -1.59 -2.47 0.00 0.00 174.74 171.88 1de2 s LYS 13 N -3.47 4.51 -0.30 2.88 -2.85 -1.26 -3.66 119.74 115.59 1de2 s LYS 13 Ca 0.02 1.26 -0.16 0.00 -1.00 0.00 0.00 55.97 56.09 1de2 s LYS 13 Cb 0.04 -2.75 0.18 0.00 -2.06 0.00 0.00 37.83 33.24 1de2 s LYS 13 CO -0.09 0.26 1.12 0.00 0.10 0.00 0.00 175.35 176.75 1de2 n VAL 15 N 4.93 1.65 0.25 0.00 0.24 -1.26 -4.00 118.33 120.14 1de2 n VAL 15 Ca -0.08 -0.77 0.12 0.00 -2.04 0.00 0.00 64.34 61.57 1de2 n VAL 15 Cb 0.54 -1.19 0.64 0.00 -1.47 0.00 0.00 33.84 32.36 1de2 n VAL 15 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1de2 h TYR 16 N 0.02 0.00 0.65 6.34 0.05 -1.96 -2.59 116.97 119.48 1de2 h TYR 16 Ca -0.31 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.44 1de2 h TYR 16 Cb 2.02 0.00 0.01 0.00 1.01 0.00 0.00 36.73 39.76 1de2 h TYR 16 CO 0.02 0.16 -0.31 0.00 -1.05 0.00 0.00 178.16 176.98 1de2 h ASP 18 N -1.13 0.00 0.07 0.00 3.58 -1.72 -0.70 116.42 116.52 1de2 h ASP 18 Ca -0.09 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 1de2 h ASP 18 Cb 0.66 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.72 1de2 h ASP 18 CO 0.15 0.00 -0.03 0.78 -2.88 0.00 0.00 179.24 177.25 1de2 h ASN 19 N 0.00 -0.08 -0.58 2.28 4.21 -1.33 -2.84 115.58 117.24 1de2 h ASN 19 Ca 0.04 0.00 0.09 0.00 1.21 0.00 0.00 56.30 57.64 1de2 h ASN 19 Cb 0.21 0.02 -0.07 0.00 -1.12 0.00 0.00 38.32 37.36 1de2 h ASN 19 CO -0.00 0.41 0.21 0.00 -1.29 0.00 0.00 177.43 176.76 1de2 h ALA 20 N -1.03 0.74 0.14 -0.83 0.00 -0.12 0.39 119.26 118.56 1de2 h ALA 20 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1de2 h ALA 20 Cb 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1de2 h ALA 20 CO 0.02 -0.20 -0.14 -0.22 0.00 0.00 0.00 179.25 178.70 1de2 h LYS 21 N 0.39 -0.30 -0.87 0.00 3.64 -1.28 0.19 116.57 118.32 1de2 h LYS 21 Ca 0.29 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1de2 h LYS 21 Cb 0.36 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1de2 h LYS 21 CO -0.30 -0.20 0.52 -0.09 -2.27 0.00 0.00 179.45 177.11 1de2 h ARG 22 N -0.32 1.19 0.22 1.90 2.43 -1.16 -1.58 114.38 117.06 1de2 h ARG 22 Ca 0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1de2 h ARG 22 Cb 0.30 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1de2 h ARG 22 CO -0.04 0.84 -0.21 1.25 -1.51 0.00 0.00 179.97 180.30 1de2 h LEU 23 N 1.20 -0.56 -0.47 3.80 6.46 0.19 -0.70 115.31 125.23 1de2 h LEU 23 Ca 0.31 0.05 0.06 0.00 -0.12 0.00 0.00 57.88 58.18 1de2 h LEU 23 Cb -0.03 0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 40.04 1de2 h LEU 23 CO -0.06 -0.31 0.18 -0.07 -0.62 0.00 0.00 178.44 177.55 1de2 h LEU 24 N -0.46 0.19 -1.30 2.25 3.38 -0.73 0.60 115.31 119.24 1de2 h LEU 24 Ca -0.00 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.10 1de2 h LEU 24 Cb 0.43 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 1de2 h LEU 24 CO -0.04 0.14 0.53 0.74 0.09 0.00 0.00 178.44 179.89 1de2 h THR 25 N 0.35 0.99 0.01 0.22 2.02 -0.97 -0.01 112.91 115.53 1de2 h THR 25 Ca 0.22 -0.28 -0.20 0.00 0.77 0.00 0.00 66.41 66.92 1de2 h THR 25 Cb 0.22 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1de2 h THR 25 CO -0.22 0.15 -0.93 0.58 0.37 0.00 0.00 175.52 175.47 1de2 h VAL 26 N 0.81 1.60 0.00 3.16 2.07 0.43 -3.09 116.25 121.24 1de2 h VAL 26 Ca 0.36 -2.99 0.00 0.00 0.82 0.00 0.00 66.70 64.89 1de2 h VAL 26 Cb 0.34 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 1de2 h VAL 26 CO -0.14 0.86 0.00 0.29 0.02 0.00 0.00 177.57 178.60 1de2 n LYS 27 N -3.51 0.03 -2.74 1.57 4.01 0.19 -4.92 118.16 112.78 1de2 n LYS 27 Ca -0.02 0.09 -0.10 0.00 -0.51 0.00 0.00 58.31 57.78 1de2 n LYS 27 Cb 0.86 -1.50 0.05 0.00 -0.51 0.00 0.00 35.03 33.93 1de2 n LYS 27 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1de2 n LYS 28 N -1.48 -3.06 -4.32 1.97 4.76 -0.20 -5.05 118.16 110.77 1de2 n LYS 28 Ca 0.06 0.51 -0.19 0.00 -2.87 0.00 0.00 58.31 55.82 1de2 n LYS 28 Cb 0.27 -4.36 -0.15 0.00 -1.84 0.00 0.00 35.03 28.95 1de2 n LYS 28 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1de2 s GLN 29 N -4.48 0.82 0.15 1.97 -1.52 -0.99 -5.06 119.66 110.55 1de2 s GLN 29 Ca 0.09 -0.26 -0.29 0.00 -1.95 0.00 0.00 55.36 52.95 1de2 s GLN 29 Cb -0.01 -0.78 -0.07 0.00 -0.22 0.00 0.00 33.01 31.93 1de2 s GLN 29 CO 0.44 0.10 0.90 -1.25 -0.25 0.00 0.00 175.29 175.23 1de2 s PRO 30 N 0.17 4.70 0.26 2.91 0.04 -1.26 -4.53 135.00 137.29 1de2 s PRO 30 Ca -0.02 1.37 -0.15 0.00 0.04 0.00 0.00 61.00 62.24 1de2 s PRO 30 Cb -0.07 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1de2 s PRO 30 CO 0.00 0.38 0.53 -0.59 0.04 0.00 0.00 177.00 177.36 1de2 s PHE 31 N -0.56 0.25 -0.03 0.56 -0.71 -1.26 -2.21 117.98 114.02 1de2 s PHE 31 Ca 0.42 -0.63 0.01 0.00 -1.04 0.00 0.00 56.93 55.69 1de2 s PHE 31 Cb -0.24 0.30 0.02 0.00 -1.21 0.00 0.00 43.02 41.89 1de2 s PHE 31 CO 0.29 -1.05 -0.03 -2.00 -1.34 0.00 0.00 175.22 171.09 1de2 s GLU 32 N -3.98 0.47 0.45 1.99 2.12 -0.23 -4.85 118.70 114.67 1de2 s GLU 32 Ca 0.20 -0.05 -0.03 0.00 0.36 0.00 0.00 54.97 55.45 1de2 s GLU 32 Cb -0.02 -0.54 -0.03 0.00 0.26 0.00 0.00 34.13 33.80 1de2 s GLU 32 CO 0.09 -0.05 0.72 0.12 -0.54 0.00 0.00 175.26 175.60 1de2 s PHE 33 N 0.65 3.49 -0.12 5.30 5.36 -1.26 -1.60 117.98 129.79 1de2 s PHE 33 Ca -0.07 0.62 -0.05 0.00 -0.96 0.00 0.00 56.93 56.47 1de2 s PHE 33 Cb -0.10 -2.23 0.06 0.00 -0.34 0.00 0.00 43.02 40.41 1de2 s PHE 33 CO -0.01 -0.23 0.25 0.42 -1.46 0.00 0.00 175.22 174.20 1de2 s ILE 34 N -2.63 -0.36 -0.23 3.12 1.01 0.18 -4.80 121.20 117.48 1de2 s ILE 34 Ca 0.46 0.27 -0.20 0.00 0.00 0.00 0.00 60.65 61.19 1de2 s ILE 34 Cb -0.10 -0.43 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 1de2 s ILE 34 CO 0.42 0.11 0.58 0.21 0.00 0.00 0.00 174.94 176.26 1de2 s ASN 35 N 2.28 6.57 0.00 3.58 3.84 -1.26 -0.56 114.94 129.40 1de2 s ASN 35 Ca 0.00 0.70 0.25 0.00 0.21 0.00 0.00 52.86 54.02 1de2 s ASN 35 Cb -0.12 -2.32 0.57 0.00 -0.55 0.00 0.00 41.25 38.84 1de2 s ASN 35 CO -0.08 -0.29 1.45 2.30 -2.79 0.00 0.00 177.10 177.69 1de2 n ILE 36 N 4.91 0.00 -3.97 -5.21 -5.35 -0.48 -4.69 119.36 104.58 1de2 n ILE 36 Ca -0.02 -0.10 -0.32 0.00 -0.27 0.00 0.00 62.75 62.04 1de2 n ILE 36 Cb 0.50 0.45 -0.14 0.00 -1.74 0.00 0.00 39.64 38.71 1de2 n ILE 36 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 1de2 s MET 37 N -2.67 1.59 0.27 6.28 1.75 -1.26 0.16 119.30 125.42 1de2 s MET 37 Ca 0.19 -1.88 0.13 0.00 -1.25 0.00 0.00 55.69 52.89 1de2 s MET 37 Cb 0.18 -3.29 0.24 0.00 2.84 0.00 0.00 34.83 34.81 1de2 s MET 37 CO 0.59 -0.97 1.52 -1.00 -0.65 0.00 0.00 175.02 174.52 1de2 h PRO 38 N 7.69 0.00 -3.96 4.11 0.13 -1.84 -3.46 132.00 134.67 1de2 h PRO 38 Ca -0.06 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.90 1de2 h PRO 38 Cb 1.02 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.95 1de2 h PRO 38 CO 0.56 0.61 -0.69 -1.83 -0.23 0.00 0.00 178.00 176.42 1de2 s GLU 39 N -3.22 0.32 0.00 0.86 -1.05 -1.25 -5.01 118.70 109.35 1de2 s GLU 39 Ca 0.01 -0.61 0.06 0.00 -0.15 0.00 0.00 54.97 54.29 1de2 s GLU 39 Cb 0.10 0.12 0.30 0.00 -0.44 0.00 0.00 34.13 34.20 1de2 s GLU 39 CO 0.75 -0.05 1.15 1.63 0.95 0.00 0.00 175.26 179.68 1de2 n LYS 40 N 1.57 0.04 -0.06 -4.83 5.02 -1.26 -2.81 118.16 115.82 1de2 n LYS 40 Ca -0.24 0.33 -0.05 0.00 -2.02 0.00 0.00 58.31 56.33 1de2 n LYS 40 Cb 0.55 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 34.02 1de2 n LYS 40 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1de2 h GLY 41 N 1.09 0.00 -4.77 0.72 0.00 -1.97 -3.48 103.07 94.66 1de2 h GLY 41 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1de2 h GLY 41 CO 0.00 0.00 -0.32 0.14 0.00 0.00 0.00 176.54 176.36 1de2 s VAL 42 N -1.81 0.04 1.05 4.60 1.01 -1.13 -5.16 120.40 119.01 1de2 s VAL 42 Ca -0.07 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 1de2 s VAL 42 Cb -0.01 -0.54 0.22 0.00 0.00 0.00 0.00 36.38 36.05 1de2 s VAL 42 CO 0.24 -0.20 1.07 -0.36 0.00 0.00 0.00 175.10 175.85 1de2 s PHE 43 N -0.92 1.83 -0.23 5.22 0.08 -1.26 -3.84 117.98 118.87 1de2 s PHE 43 Ca -0.10 1.10 -0.19 0.00 0.12 0.00 0.00 56.93 57.87 1de2 s PHE 43 Cb -0.05 -3.20 -0.03 0.00 -0.57 0.00 0.00 43.02 39.18 1de2 s PHE 43 CO 0.03 -3.21 0.54 0.34 -0.10 0.00 0.00 175.22 172.82 1de2 s ASP 44 N -3.10 6.53 0.46 1.36 2.15 0.42 -4.80 116.67 119.70 1de2 s ASP 44 Ca 0.66 0.64 0.22 0.00 0.43 0.00 0.00 52.55 54.50 1de2 s ASP 44 Cb -0.21 -2.30 1.12 0.00 -0.30 0.00 0.00 42.92 41.23 1de2 s ASP 44 CO 0.60 -0.25 1.96 0.44 -0.17 0.00 0.00 175.17 177.74 1de2 h ASP 45 N 7.71 0.00 0.60 -0.34 3.32 -1.94 -1.87 116.42 123.91 1de2 h ASP 45 Ca -0.31 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.71 1de2 h ASP 45 Cb 1.14 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.70 1de2 h ASP 45 CO 0.74 0.21 -0.29 -0.08 -1.72 0.00 0.00 179.24 178.10 1de2 h GLU 46 N 0.00 -0.78 -0.42 3.56 4.81 -1.95 0.35 114.58 120.14 1de2 h GLU 46 Ca -0.00 0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1de2 h GLU 46 Cb 0.49 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 1de2 h GLU 46 CO 0.03 -0.50 0.11 0.87 -0.73 0.00 0.00 179.01 178.79 1de2 h LYS 47 N -0.86 0.67 -0.77 1.92 1.79 -1.88 -1.48 116.57 115.95 1de2 h LYS 47 Ca -0.08 -0.16 0.08 0.00 -2.18 0.00 0.00 60.65 58.31 1de2 h LYS 47 Cb 0.64 -0.09 -0.07 0.00 -1.58 0.00 0.00 32.23 31.13 1de2 h LYS 47 CO 0.14 0.67 0.44 0.82 -1.08 0.00 0.00 179.45 180.44 1de2 h ILE 48 N 0.54 0.93 -0.15 1.86 2.04 -1.25 0.36 117.51 121.84 1de2 h ILE 48 Ca 0.13 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1de2 h ILE 48 Cb 0.30 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1de2 h ILE 48 CO -0.00 0.14 0.03 0.00 0.00 0.00 0.00 178.15 178.32 1de2 h ALA 49 N 1.42 0.20 -0.57 1.87 0.00 -0.01 -1.38 119.26 120.78 1de2 h ALA 49 Ca 0.36 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1de2 h ALA 49 Cb 0.29 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1de2 h ALA 49 CO -0.22 -0.16 0.25 1.49 0.00 0.00 0.00 179.25 180.61 1de2 h GLU 50 N 0.04 0.82 0.84 0.00 4.81 -0.64 -2.57 114.58 117.88 1de2 h GLU 50 Ca 0.05 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1de2 h GLU 50 Cb 0.27 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.51 1de2 h GLU 50 CO 0.00 0.65 -0.40 1.25 -0.73 0.00 0.00 179.01 179.78 1de2 h LEU 51 N 0.81 -0.95 -0.96 1.64 5.85 -0.08 -1.49 115.31 120.14 1de2 h LEU 51 Ca 0.20 0.03 0.29 0.00 0.84 0.00 0.00 57.88 59.24 1de2 h LEU 51 Cb 0.12 0.25 -0.15 0.00 0.37 0.00 0.00 40.66 41.25 1de2 h LEU 51 CO -0.02 -0.61 0.43 -0.07 -0.34 0.00 0.00 178.44 177.82 1de2 h LEU 52 N -1.28 0.29 -1.08 2.25 3.38 -1.16 1.33 115.31 119.05 1de2 h LEU 52 Ca -0.12 0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1de2 h LEU 52 Cb 0.86 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1de2 h LEU 52 CO 0.19 -0.15 -0.45 0.74 0.09 0.00 0.00 178.44 178.86 1de2 h THR 53 N 0.27 1.32 -0.25 0.22 2.02 -1.34 -2.93 112.91 112.22 1de2 h THR 53 Ca 0.66 -1.55 -0.08 0.00 0.77 0.00 0.00 66.41 66.21 1de2 h THR 53 Cb 1.45 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 69.67 1de2 h THR 53 CO -0.63 0.44 -0.18 0.50 0.37 0.00 0.00 175.52 176.02 1de2 h LYS 54 N 0.03 0.56 0.27 6.66 3.64 0.28 -3.34 116.57 124.67 1de2 h LYS 54 Ca -0.00 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 1de2 h LYS 54 Cb 0.80 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1de2 h LYS 54 CO 0.06 0.84 -0.14 -0.07 -2.27 0.00 0.00 179.45 177.87 1de2 h LEU 55 N 0.27 -0.35 0.00 5.20 4.07 -1.03 -3.44 115.31 120.03 1de2 h LEU 55 Ca 0.05 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1de2 h LEU 55 Cb 0.71 0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.54 1de2 h LEU 55 CO 0.05 -0.23 0.00 0.61 -1.08 0.00 0.00 178.44 177.78 1de2 n GLY 56 N -1.19 0.34 0.00 0.83 0.00 -1.12 -4.76 105.19 99.29 1de2 n GLY 56 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.43 -0.76 1.61 1.74 -1.21 -4.98 116.66 113.49 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 0.36 0.00 -1.02 0.00 0.00 32.46 31.80 1de2 n ARG 57 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1de2 n ASP 58 N -2.57 5.13 -4.55 0.55 5.68 -1.26 -4.01 116.55 115.52 1de2 n ASP 58 Ca 0.00 -2.98 -0.26 0.00 -0.50 0.00 0.00 54.79 51.05 1de2 n ASP 58 Cb 0.00 -0.65 -0.11 0.00 -1.14 0.00 0.00 41.12 39.23 1de2 n ASP 58 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1de2 s THR 59 N -2.81 2.20 -0.31 2.12 -1.32 -1.26 -5.07 115.64 109.19 1de2 s THR 59 Ca 0.51 -2.18 0.00 0.00 -1.21 0.00 0.00 61.69 58.82 1de2 s THR 59 Cb 0.40 -2.69 0.10 0.00 -1.51 0.00 0.00 72.50 68.79 1de2 s THR 59 CO 0.14 -0.17 0.08 -1.10 -2.21 0.00 0.00 174.62 171.35 1de2 s GLN 60 N -3.63 0.93 -1.18 7.08 -0.21 -1.26 -4.99 119.66 116.40 1de2 s GLN 60 Ca 0.33 -1.24 -0.20 0.00 0.02 0.00 0.00 55.36 54.27 1de2 s GLN 60 Cb 0.04 -2.30 0.06 0.00 1.00 0.00 0.00 33.01 31.81 1de2 s GLN 60 CO 0.17 -0.95 1.61 0.42 -2.12 0.00 0.00 175.29 174.41 1de2 s ILE 61 N 1.45 4.06 -1.58 1.08 1.01 -1.26 -4.14 121.20 121.81 1de2 s ILE 61 Ca 0.09 -1.45 0.00 0.00 0.00 0.00 0.00 60.65 59.29 1de2 s ILE 61 Cb -0.18 -5.13 0.00 0.00 0.01 0.00 0.00 42.46 37.16 1de2 s ILE 61 CO -0.20 -1.98 0.00 0.61 0.00 0.00 0.00 174.94 173.37 1de2 n GLY 62 N 6.00 0.03 3.67 6.18 0.00 -1.26 -4.89 105.19 114.91 1de2 n GLY 62 Ca 0.42 0.00 -0.41 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 -2.74 3.59 -4.29 0.99 7.99 -1.26 -5.01 117.00 116.26 1de2 n LEU 63 Ca -0.20 1.07 -0.22 0.00 -0.01 0.00 0.00 56.01 56.65 1de2 n LEU 63 Cb 0.64 -1.45 -0.12 0.00 -0.11 0.00 0.00 43.42 42.38 1de2 n LEU 63 CO 0.25 -0.95 -0.49 -0.89 -1.51 0.00 0.00 177.39 173.79 1de2 s THR 64 N -1.23 1.68 0.07 -5.08 2.01 -1.26 -5.14 115.64 106.70 1de2 s THR 64 Ca 0.62 -1.70 0.04 0.00 0.31 0.00 0.00 61.69 60.97 1de2 s THR 64 Cb -0.52 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 1de2 s THR 64 CO 0.57 -0.21 -0.00 -0.04 -0.69 0.00 0.00 174.62 174.25 1de2 s MET 65 N -2.34 2.58 0.38 4.92 1.00 -1.26 -3.82 119.30 120.76 1de2 s MET 65 Ca 0.10 -0.80 -0.22 0.00 0.00 0.00 0.00 55.69 54.77 1de2 s MET 65 Cb -0.08 -2.56 -0.10 0.00 0.00 0.00 0.00 34.83 32.09 1de2 s MET 65 CO 0.05 0.56 0.93 -2.14 0.00 0.00 0.00 175.02 174.41 1de2 s PRO 66 N -2.15 4.33 -0.21 2.03 0.02 -1.26 -4.99 135.00 132.77 1de2 s PRO 66 Ca 0.24 1.15 -0.07 0.00 0.02 0.00 0.00 61.00 62.34 1de2 s PRO 66 Cb -0.12 -2.42 -0.04 0.00 0.02 0.00 0.00 34.50 31.95 1de2 s PRO 66 CO 0.17 0.09 0.07 -1.14 -0.33 0.00 0.00 177.00 175.86 1de2 s GLN 67 N -2.77 3.86 0.36 5.54 2.00 0.11 -4.53 119.66 124.24 1de2 s GLN 67 Ca 0.57 -0.39 0.07 0.00 -2.00 0.00 0.00 55.36 53.61 1de2 s GLN 67 Cb -0.12 -3.27 -0.01 0.00 0.80 0.00 0.00 33.01 30.40 1de2 s GLN 67 CO 0.17 0.10 0.41 0.08 -0.50 0.00 0.00 175.29 175.55 1de2 s VAL 68 N 0.85 3.57 0.03 1.34 1.01 -0.89 0.17 120.40 126.47 1de2 s VAL 68 Ca 0.04 -1.17 -0.04 0.00 0.00 0.00 0.00 61.98 60.81 1de2 s VAL 68 Cb -0.14 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1de2 s VAL 68 CO 0.02 -0.12 0.06 -0.36 0.00 0.00 0.00 175.10 174.70 1de2 s PHE 69 N -2.28 0.22 0.59 5.22 0.40 0.24 -2.90 117.98 119.47 1de2 s PHE 69 Ca 0.45 -0.49 -0.19 0.00 -0.60 0.00 0.00 56.93 56.10 1de2 s PHE 69 Cb -0.07 -0.16 -0.04 0.00 0.51 0.00 0.00 43.02 43.26 1de2 s PHE 69 CO 0.29 -0.30 1.21 0.00 0.70 0.00 0.00 175.22 177.13 1de2 s ALA 70 N -2.17 2.57 0.58 5.36 0.00 0.26 -2.11 121.76 126.25 1de2 s ALA 70 Ca -0.09 1.03 0.28 0.00 0.00 0.00 0.00 51.96 53.18 1de2 s ALA 70 Cb -0.04 -3.46 1.77 0.00 0.00 0.00 0.00 23.12 21.39 1de2 s ALA 70 CO -0.03 -1.16 2.25 -1.35 0.00 0.00 0.00 175.76 175.47 1de2 h PRO 71 N 0.95 0.00 0.00 0.00 0.11 -1.91 -1.95 132.00 129.20 1de2 h PRO 71 Ca -0.50 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.42 1de2 h PRO 71 Cb 1.30 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 1de2 h PRO 71 CO 0.55 0.00 -1.67 -0.25 -0.21 0.00 0.00 178.00 176.42 1de2 n ASP 72 N -3.92 0.60 0.00 -2.05 8.00 -1.26 -3.67 116.55 114.25 1de2 n ASP 72 Ca -0.03 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1de2 n ASP 72 Cb 0.08 0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 1de2 n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1de2 n GLY 73 N 1.45 1.66 3.63 0.44 0.00 -0.73 -5.13 105.19 106.50 1de2 n GLY 73 Ca -0.13 -0.49 -0.02 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 0.00 -0.02 -0.12 1.61 0.01 -1.26 -4.86 113.70 109.06 1de2 s SER 74 Ca 0.00 -0.00 -0.24 0.00 1.31 0.00 0.00 55.95 57.01 1de2 s SER 74 Cb 0.00 0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.23 1de2 s SER 74 CO 0.00 -0.04 0.76 -2.28 0.41 0.00 0.00 173.24 172.09 1de2 s HIS 75 N -2.07 3.50 -0.25 2.43 2.46 -1.26 0.89 115.29 120.98 1de2 s HIS 75 Ca 0.12 1.24 -0.06 0.00 0.47 0.00 0.00 55.06 56.83 1de2 s HIS 75 Cb 0.00 -2.91 -0.13 0.00 -0.13 0.00 0.00 32.58 29.41 1de2 s HIS 75 CO -0.03 -0.08 -0.28 -0.89 -2.47 0.00 0.00 174.74 170.99 1de2 n ILE 76 N 4.28 1.42 0.00 0.89 5.41 -1.14 -4.84 119.36 125.37 1de2 n ILE 76 Ca 0.01 -0.44 0.00 0.00 1.00 0.00 0.00 62.75 63.32 1de2 n ILE 76 Cb 0.50 -1.63 0.00 0.00 -0.71 0.00 0.00 39.64 37.80 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 1.80 0.48 0.00 7.39 0.00 -1.25 -4.47 105.19 109.15 1de2 n GLY 77 Ca -0.48 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.57 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 1.32 0.00 -0.02 0.00 -1.26 -2.10 105.19 103.13 1de2 n GLY 78 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.22 1.61 7.35 -1.26 -2.21 117.46 122.73 1de2 n PHE 79 Ca 0.00 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.68 1de2 n PHE 79 Cb 0.00 -0.45 0.10 0.00 0.35 0.00 0.00 39.48 39.48 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 0.46 -0.96 -2.13 1.82 -1.99 -0.11 116.42 113.51 1de2 h ASP 80 Ca 0.00 0.04 0.16 0.00 -0.39 0.00 0.00 57.03 56.84 1de2 h ASP 80 Cb 0.00 -0.04 -0.10 0.00 0.68 0.00 0.00 39.33 39.87 1de2 h ASP 80 CO 0.00 0.29 0.57 1.56 -1.61 0.00 0.00 179.24 180.05 1de2 h GLN 81 N 0.60 0.77 -0.03 0.28 7.50 -1.92 0.11 115.11 122.43 1de2 h GLN 81 Ca 0.30 -0.05 -0.16 0.00 0.50 0.00 0.00 58.65 59.25 1de2 h GLN 81 Cb 0.26 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.60 1de2 h GLN 81 CO -0.22 0.51 -0.71 1.25 -1.50 0.00 0.00 178.83 178.16 1de2 h LEU 82 N 0.79 0.20 -1.49 1.46 6.46 -0.63 -2.96 115.31 119.14 1de2 h LEU 82 Ca 0.52 -0.13 0.21 0.00 -0.12 0.00 0.00 57.88 58.36 1de2 h LEU 82 Cb 0.70 -0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 40.51 1de2 h LEU 82 CO -0.34 0.84 0.60 0.03 -0.62 0.00 0.00 178.44 178.95 1de2 h ARG 83 N 0.11 0.40 -0.31 1.25 2.47 0.91 1.61 114.38 120.83 1de2 h ARG 83 Ca -0.02 -0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 58.61 1de2 h ARG 83 Cb 1.25 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 29.47 1de2 h ARG 83 CO 0.10 0.27 -0.10 1.49 0.56 0.00 0.00 179.97 182.29 1de2 h GLU 84 N 0.41 0.51 -0.48 0.04 4.81 -1.33 0.53 114.58 119.08 1de2 h GLU 84 Ca 0.48 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.55 1de2 h GLU 84 Cb 1.19 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1de2 h GLU 84 CO -0.19 0.62 0.21 -0.92 -0.73 0.00 0.00 179.01 178.00 1de2 h TYR 85 N 0.48 0.67 -0.00 0.92 5.03 0.23 -1.61 116.97 122.68 1de2 h TYR 85 Ca 0.09 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.38 1de2 h TYR 85 Cb 0.47 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.54 1de2 h TYR 85 CO 0.02 0.51 -0.56 1.19 -1.32 0.00 0.00 178.16 178.00 1de2 n PHE 86 N -4.37 0.00 -1.39 -3.82 3.72 -0.47 -5.12 117.46 106.00 1de2 n PHE 86 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1de2 n PHE 86 Cb 0.14 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 1de2 n PHE 86 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07