#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 1.99 -0.11 1.12 0.40 -0.89 -4.08 117.98 116.41 1de2 s PHE 2 Ca 0.00 1.64 0.00 0.00 -0.60 0.00 0.00 56.93 57.97 1de2 s PHE 2 Cb 0.00 -3.42 0.02 0.00 0.51 0.00 0.00 43.02 40.13 1de2 s PHE 2 CO 0.00 -2.60 -0.10 0.15 0.70 0.00 0.00 175.22 173.37 1de2 s LYS 3 N -4.12 1.74 -0.17 0.44 3.01 -0.79 0.45 119.74 120.29 1de2 s LYS 3 Ca 0.72 -0.35 -0.01 0.00 -1.01 0.00 0.00 55.97 55.32 1de2 s LYS 3 Cb -0.27 -1.69 -0.00 0.00 -1.01 0.00 0.00 37.83 34.86 1de2 s LYS 3 CO 0.49 -0.22 -0.13 0.08 0.51 0.00 0.00 175.35 176.08 1de2 s VAL 4 N 1.51 2.87 -0.45 3.17 1.01 -0.40 0.11 120.40 128.22 1de2 s VAL 4 Ca 0.02 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 1de2 s VAL 4 Cb -0.13 -2.23 0.08 0.00 0.00 0.00 0.00 36.38 34.10 1de2 s VAL 4 CO -0.07 0.50 0.33 -0.31 0.00 0.00 0.00 175.10 175.54 1de2 s TYR 5 N 0.91 3.31 0.00 5.22 1.51 0.31 0.18 117.35 128.78 1de2 s TYR 5 Ca -0.03 -1.33 0.00 0.00 -1.01 0.00 0.00 57.07 54.70 1de2 s TYR 5 Cb -0.15 -3.11 0.00 0.00 -0.11 0.00 0.00 41.96 38.59 1de2 s TYR 5 CO -0.01 -0.85 0.00 0.41 -1.11 0.00 0.00 175.55 173.99 1de2 n GLY 6 N 5.03 2.20 3.10 0.71 0.00 -0.49 0.11 105.19 115.85 1de2 n GLY 6 Ca -0.11 0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 1.14 0.85 0.06 1.61 1.51 -1.26 -3.05 117.35 118.21 1de2 s TYR 7 Ca 0.00 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 55.59 1de2 s TYR 7 Cb 0.00 -0.50 0.00 0.00 -0.11 0.00 0.00 41.96 41.35 1de2 s TYR 7 CO 0.00 -0.03 0.00 -0.40 -1.11 0.00 0.00 175.55 174.01 1de2 n ASP 8 N 1.47 -0.50 -3.20 2.29 5.75 0.25 -4.44 116.55 118.18 1de2 n ASP 8 Ca -0.22 0.12 -0.10 0.00 -0.01 0.00 0.00 54.79 54.58 1de2 n ASP 8 Cb 0.55 0.82 0.09 0.00 -1.03 0.00 0.00 41.12 41.55 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 -2.63 -2.33 -0.04 -1.12 2.88 -0.53 -4.54 113.62 105.30 1de2 n SER 9 Ca 0.00 -0.28 -0.11 0.00 -1.33 0.00 0.00 58.87 57.15 1de2 n SER 9 Cb 0.00 -0.40 -0.05 0.00 -0.75 0.00 0.00 64.21 63.01 1de2 n SER 9 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1de2 h ASN 10 N -2.34 0.23 -0.22 -3.46 -1.24 -1.99 -0.14 115.58 106.41 1de2 h ASN 10 Ca -0.12 -0.13 -0.04 0.00 0.71 0.00 0.00 56.30 56.72 1de2 h ASN 10 Cb 0.42 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.39 1de2 h ASN 10 CO 0.07 0.29 0.05 2.30 -1.29 0.00 0.00 177.43 178.85 1de2 n ILE 11 N -4.88 1.10 -3.08 2.57 -0.00 -1.26 -4.38 119.36 109.42 1de2 n ILE 11 Ca -0.04 -0.50 -0.17 0.00 -0.00 0.00 0.00 62.75 62.04 1de2 n ILE 11 Cb 0.10 -0.51 -0.04 0.00 -0.00 0.00 0.00 39.64 39.18 1de2 n ILE 11 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.55 178.12 1de2 n HIS 12 N 0.16 -2.13 -0.60 4.28 -0.00 -0.07 -4.82 115.22 112.04 1de2 n HIS 12 Ca 0.12 -2.50 -0.29 0.00 0.46 0.00 0.00 57.72 55.51 1de2 n HIS 12 Cb 0.64 0.75 0.23 0.00 -0.12 0.00 0.00 29.99 31.48 1de2 n HIS 12 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 1de2 s LYS 13 N 0.25 -0.37 0.00 1.57 2.36 -1.23 0.86 119.74 123.18 1de2 s LYS 13 Ca 0.32 1.04 0.00 0.00 -2.55 0.00 0.00 55.97 54.78 1de2 s LYS 13 Cb 0.06 -1.60 0.00 0.00 -1.05 0.00 0.00 37.83 35.24 1de2 s LYS 13 CO -0.14 -3.42 0.00 0.00 1.55 0.00 0.00 175.35 173.34 1de2 n VAL 15 N 0.00 1.70 0.30 0.00 0.24 -1.26 -4.15 118.33 115.15 1de2 n VAL 15 Ca 0.00 -0.69 0.14 0.00 -2.04 0.00 0.00 64.34 61.76 1de2 n VAL 15 Cb 0.00 -1.49 0.43 0.00 -1.47 0.00 0.00 33.84 31.31 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 0.05 0.00 0.18 6.34 -1.99 -1.98 -3.27 116.97 116.30 1de2 h TYR 16 Ca -0.42 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.31 1de2 h TYR 16 Cb 2.03 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.76 1de2 h TYR 16 CO 0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 178.16 178.13 1de2 h ASP 18 N -0.26 0.12 0.07 0.00 3.58 -1.77 0.54 116.42 118.71 1de2 h ASP 18 Ca -0.02 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1de2 h ASP 18 Cb 0.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 1de2 h ASP 18 CO 0.04 0.02 -0.03 0.78 -2.88 0.00 0.00 179.24 177.17 1de2 h ASN 19 N 0.11 -0.08 -0.56 2.28 2.35 -1.52 -2.94 115.58 115.22 1de2 h ASN 19 Ca 0.55 -0.25 0.06 0.00 -0.55 0.00 0.00 56.30 56.10 1de2 h ASN 19 Cb 1.95 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 40.29 1de2 h ASN 19 CO -0.09 0.53 0.28 0.00 -1.65 0.00 0.00 177.43 176.50 1de2 h ALA 20 N -0.72 0.73 0.05 -0.83 0.00 -0.06 -1.02 119.26 117.41 1de2 h ALA 20 Ca -0.01 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1de2 h ALA 20 Cb 0.32 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1de2 h ALA 20 CO 0.01 -0.08 -0.13 -0.22 0.00 0.00 0.00 179.25 178.83 1de2 h LYS 21 N 0.52 -0.24 -0.84 0.00 3.64 -0.11 -0.22 116.57 119.33 1de2 h LYS 21 Ca 0.26 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.75 1de2 h LYS 21 Cb 0.19 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.99 1de2 h LYS 21 CO -0.19 -0.16 0.48 0.00 -2.27 0.00 0.00 179.45 177.31 1de2 h ARG 22 N -0.25 0.78 0.18 1.90 3.08 -1.27 0.83 114.38 119.63 1de2 h ARG 22 Ca 0.03 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.04 1de2 h ARG 22 Cb 0.28 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1de2 h ARG 22 CO -0.09 0.52 -0.19 1.25 -1.07 0.00 0.00 179.97 180.38 1de2 h LEU 23 N 0.81 -0.52 -0.38 3.04 6.46 -0.48 -0.63 115.31 123.60 1de2 h LEU 23 Ca 0.40 0.05 0.03 0.00 -0.12 0.00 0.00 57.88 58.25 1de2 h LEU 23 Cb 0.37 0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.45 1de2 h LEU 23 CO -0.25 -0.29 0.19 -0.07 -0.62 0.00 0.00 178.44 177.40 1de2 h LEU 24 N -0.41 0.27 -1.31 2.25 3.38 -0.27 0.72 115.31 119.94 1de2 h LEU 24 Ca 0.00 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.10 1de2 h LEU 24 Cb 0.39 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1de2 h LEU 24 CO -0.05 0.20 0.54 0.74 0.09 0.00 0.00 178.44 179.96 1de2 h THR 25 N 0.38 0.92 0.00 0.22 2.02 -0.58 0.78 112.91 116.65 1de2 h THR 25 Ca 0.16 -0.26 -0.20 0.00 0.77 0.00 0.00 66.41 66.89 1de2 h THR 25 Cb 0.08 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 1de2 h THR 25 CO -0.12 0.14 -0.97 0.58 0.37 0.00 0.00 175.52 175.52 1de2 h VAL 26 N 0.75 1.69 0.00 3.16 2.07 0.09 -3.14 116.25 120.87 1de2 h VAL 26 Ca 0.40 -3.30 0.00 0.00 0.82 0.00 0.00 66.70 64.61 1de2 h VAL 26 Cb 0.51 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 1de2 h VAL 26 CO -0.16 0.94 0.00 0.29 0.02 0.00 0.00 177.57 178.66 1de2 n LYS 27 N -3.39 0.09 -3.31 1.57 4.76 0.24 -4.89 118.16 113.24 1de2 n LYS 27 Ca -0.00 0.29 -0.18 0.00 -2.87 0.00 0.00 58.31 55.56 1de2 n LYS 27 Cb 0.91 -1.67 0.06 0.00 -1.84 0.00 0.00 35.03 32.50 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 -1.84 -6.02 -4.93 1.97 4.76 -0.51 -5.02 118.16 106.58 1de2 n LYS 28 Ca 0.03 0.65 -0.30 0.00 -2.87 0.00 0.00 58.31 55.83 1de2 n LYS 28 Cb 0.23 -5.14 -0.17 0.00 -1.84 0.00 0.00 35.03 28.10 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 -5.82 2.62 0.26 1.97 -1.52 -1.14 -5.08 119.66 110.96 1de2 s GLN 29 Ca 0.36 -0.73 -0.30 0.00 -1.95 0.00 0.00 55.36 52.75 1de2 s GLN 29 Cb -0.16 -2.04 -0.09 0.00 -0.22 0.00 0.00 33.01 30.50 1de2 s GLN 29 CO 0.57 0.10 1.02 -1.25 -0.25 0.00 0.00 175.29 175.48 1de2 s PRO 30 N 0.53 4.75 0.27 2.91 0.04 -1.26 -4.67 135.00 137.57 1de2 s PRO 30 Ca -0.15 1.64 -0.16 0.00 0.04 0.00 0.00 61.00 62.37 1de2 s PRO 30 Cb -0.17 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.15 1de2 s PRO 30 CO 0.06 0.37 0.59 -0.59 0.04 0.00 0.00 177.00 177.46 1de2 s PHE 31 N -1.18 0.13 -0.02 0.56 -0.71 -1.26 -2.10 117.98 113.41 1de2 s PHE 31 Ca 0.43 -0.54 0.01 0.00 -1.04 0.00 0.00 56.93 55.78 1de2 s PHE 31 Cb -0.29 0.43 0.01 0.00 -1.21 0.00 0.00 43.02 41.96 1de2 s PHE 31 CO 0.36 -1.12 -0.03 -2.00 -1.34 0.00 0.00 175.22 171.09 1de2 s GLU 32 N -3.90 0.43 0.37 1.99 2.12 0.17 -4.84 118.70 115.05 1de2 s GLU 32 Ca 0.17 -0.07 -0.05 0.00 0.36 0.00 0.00 54.97 55.39 1de2 s GLU 32 Cb -0.03 -0.49 -0.05 0.00 0.26 0.00 0.00 34.13 33.83 1de2 s GLU 32 CO 0.08 -0.02 0.64 0.12 -0.54 0.00 0.00 175.26 175.55 1de2 s PHE 33 N 0.47 3.50 -0.09 5.30 5.36 -1.26 -1.28 117.98 129.98 1de2 s PHE 33 Ca -0.05 0.70 -0.01 0.00 -0.96 0.00 0.00 56.93 56.61 1de2 s PHE 33 Cb -0.08 -2.17 0.03 0.00 -0.34 0.00 0.00 43.02 40.45 1de2 s PHE 33 CO -0.01 0.01 -0.03 0.42 -1.46 0.00 0.00 175.22 174.16 1de2 s ILE 34 N -2.33 0.62 -0.30 3.12 1.01 0.47 -4.81 121.20 118.97 1de2 s ILE 34 Ca 0.45 -0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.95 1de2 s ILE 34 Cb -0.10 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 1de2 s ILE 34 CO 0.35 0.30 0.23 0.54 0.00 0.00 0.00 174.94 176.36 1de2 s ASN 35 N 1.87 6.06 -1.04 3.58 4.22 -1.26 -1.39 114.94 126.97 1de2 s ASN 35 Ca 0.05 -0.15 -0.03 0.00 -2.14 0.00 0.00 52.86 50.59 1de2 s ASN 35 Cb -0.12 -2.14 0.31 0.00 1.28 0.00 0.00 41.25 40.58 1de2 s ASN 35 CO -0.06 -0.14 1.50 2.30 -2.04 0.00 0.00 177.10 178.66 1de2 n ILE 36 N 5.09 5.30 -2.86 0.54 -5.35 -1.17 -4.80 119.36 116.12 1de2 n ILE 36 Ca -0.13 -5.91 -0.01 0.00 -0.27 0.00 0.00 62.75 56.43 1de2 n ILE 36 Cb 0.51 -1.97 0.01 0.00 -1.74 0.00 0.00 39.64 36.45 1de2 n ILE 36 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 1de2 s MET 37 N -3.09 0.56 0.16 6.28 -1.94 -1.26 -2.40 119.30 117.60 1de2 s MET 37 Ca 0.33 -0.38 0.21 0.00 -1.71 0.00 0.00 55.69 54.15 1de2 s MET 37 Cb 0.09 0.02 0.87 0.00 2.01 0.00 0.00 34.83 37.81 1de2 s MET 37 CO 0.05 -0.74 1.66 -0.35 -0.01 0.00 0.00 175.02 175.63 1de2 n PRO 38 N 3.44 0.13 -3.74 2.03 -0.04 -1.26 -4.74 135.00 130.81 1de2 n PRO 38 Ca 0.11 0.32 -0.14 0.00 -0.04 0.00 0.00 63.50 63.75 1de2 n PRO 38 Cb 0.60 -1.73 -0.08 0.00 -0.04 0.00 0.00 33.50 32.25 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 -3.17 0.70 0.00 0.54 0.41 -1.26 -5.01 118.70 110.90 1de2 s GLU 39 Ca 0.06 -0.17 0.05 0.00 -0.41 0.00 0.00 54.97 54.51 1de2 s GLU 39 Cb 0.10 0.31 0.23 0.00 -1.78 0.00 0.00 34.13 32.99 1de2 s GLU 39 CO 0.39 -0.19 1.03 1.17 -0.49 0.00 0.00 175.26 177.17 1de2 n LYS 40 N 1.24 0.05 -0.03 1.61 4.81 -1.26 -2.80 118.16 121.78 1de2 n LYS 40 Ca -0.21 0.29 -0.05 0.00 -0.87 0.00 0.00 58.31 57.46 1de2 n LYS 40 Cb 0.56 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 34.07 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 0.80 -0.05 -3.44 3.14 0.00 -1.96 -3.49 103.07 98.07 1de2 h GLY 41 Ca 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 1de2 h GLY 41 CO 0.00 -0.02 -0.21 0.14 0.00 0.00 0.00 176.54 176.45 1de2 s VAL 42 N -2.00 0.09 1.22 4.60 1.01 -1.12 -5.16 120.40 119.03 1de2 s VAL 42 Ca -0.07 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 1de2 s VAL 42 Cb -0.01 -1.10 0.31 0.00 0.00 0.00 0.00 36.38 35.58 1de2 s VAL 42 CO 0.25 -0.41 1.00 0.49 0.00 0.00 0.00 175.10 176.42 1de2 n PHE 43 N 0.19 -1.55 -2.80 5.22 3.72 -1.25 -4.07 117.46 116.92 1de2 n PHE 43 Ca -0.17 -0.23 -0.43 0.00 -0.05 0.00 0.00 57.45 56.57 1de2 n PHE 43 Cb 0.61 -1.66 -0.04 0.00 -0.94 0.00 0.00 39.48 37.46 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 -2.39 6.22 0.57 4.37 -1.08 -1.01 -4.73 116.67 118.62 1de2 s ASP 44 Ca 0.69 -1.01 0.32 0.00 -0.52 0.00 0.00 52.55 52.02 1de2 s ASP 44 Cb -0.25 -2.45 1.45 0.00 -1.46 0.00 0.00 42.92 40.21 1de2 s ASP 44 CO 0.66 -1.48 1.81 0.44 0.52 0.00 0.00 175.17 177.12 1de2 h ASP 45 N 9.59 0.00 0.60 -0.34 3.32 -1.92 -0.48 116.42 127.19 1de2 h ASP 45 Ca -0.23 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 1de2 h ASP 45 Cb 1.06 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.62 1de2 h ASP 45 CO 1.20 0.00 -0.29 -0.33 -1.72 0.00 0.00 179.24 178.10 1de2 h GLU 46 N 0.00 -0.78 -0.36 3.56 5.08 -1.99 0.23 114.58 120.32 1de2 h GLU 46 Ca 0.40 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.81 1de2 h GLU 46 Cb 1.82 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 31.23 1de2 h GLU 46 CO -0.00 -0.50 0.20 0.87 -1.00 0.00 0.00 179.01 178.58 1de2 h LYS 47 N -0.89 0.50 -0.68 2.33 1.57 -1.53 -1.07 116.57 116.81 1de2 h LYS 47 Ca -0.08 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1de2 h LYS 47 Cb 0.65 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.80 1de2 h LYS 47 CO 0.14 0.41 0.36 0.82 -0.57 0.00 0.00 179.45 180.61 1de2 h ILE 48 N 0.46 0.92 -0.23 1.86 5.03 -1.24 0.53 117.51 124.85 1de2 h ILE 48 Ca 0.13 -0.22 -0.01 0.00 -0.12 0.00 0.00 64.86 64.64 1de2 h ILE 48 Cb 0.05 0.22 -0.01 0.00 -3.03 0.00 0.00 36.82 34.05 1de2 h ILE 48 CO -0.02 0.12 0.11 0.00 -0.68 0.00 0.00 178.15 177.68 1de2 h ALA 49 N 1.38 0.29 -0.64 1.87 0.00 -0.15 -2.12 119.26 119.88 1de2 h ALA 49 Ca 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1de2 h ALA 49 Cb 0.25 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1de2 h ALA 49 CO -0.21 -0.15 0.31 1.49 0.00 0.00 0.00 179.25 180.68 1de2 h GLU 50 N 0.24 0.93 -0.58 0.00 4.81 -0.44 -2.68 114.58 116.86 1de2 h GLU 50 Ca 0.08 -0.14 0.09 0.00 -0.13 0.00 0.00 59.36 59.26 1de2 h GLU 50 Cb 0.11 -0.17 -0.07 0.00 0.63 0.00 0.00 28.75 29.26 1de2 h GLU 50 CO -0.01 0.74 0.21 1.25 -0.73 0.00 0.00 179.01 180.47 1de2 h LEU 51 N 0.89 0.21 -0.13 1.64 5.85 0.31 0.32 115.31 124.39 1de2 h LEU 51 Ca 0.22 0.07 0.03 0.00 0.84 0.00 0.00 57.88 59.05 1de2 h LEU 51 Cb 0.12 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1de2 h LEU 51 CO -0.03 0.13 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.05 1de2 h LEU 52 N 0.39 -0.26 -1.38 2.25 3.38 -1.07 -0.64 115.31 117.97 1de2 h LEU 52 Ca 0.29 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.28 1de2 h LEU 52 Cb 0.34 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1de2 h LEU 52 CO -0.29 -0.11 0.01 0.74 0.09 0.00 0.00 178.44 178.88 1de2 h THR 53 N -0.08 1.17 -0.74 0.22 2.02 -1.07 -2.22 112.91 112.19 1de2 h THR 53 Ca 0.08 -0.64 -0.05 0.00 0.77 0.00 0.00 66.41 66.56 1de2 h THR 53 Cb 0.20 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1de2 h THR 53 CO -0.18 0.22 0.26 0.50 0.37 0.00 0.00 175.52 176.69 1de2 h LYS 54 N 0.41 1.13 0.43 6.66 3.64 0.68 -3.05 116.57 126.47 1de2 h LYS 54 Ca 0.09 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1de2 h LYS 54 Cb 0.26 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1de2 h LYS 54 CO 0.01 0.95 -0.21 -0.07 -2.27 0.00 0.00 179.45 177.86 1de2 h LEU 55 N 1.10 -0.49 0.00 5.20 3.38 -0.54 -3.47 115.31 120.49 1de2 h LEU 55 Ca 0.24 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1de2 h LEU 55 Cb 0.27 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1de2 h LEU 55 CO -0.01 -0.35 0.00 0.61 0.09 0.00 0.00 178.44 178.78 1de2 n GLY 56 N -1.33 -0.94 1.69 0.83 0.00 -1.10 -4.97 105.19 99.37 1de2 n GLY 56 Ca -0.11 0.68 -0.02 0.00 0.00 0.00 0.00 46.02 46.57 1de2 n GLY 56 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1de2 n ARG 57 N 0.00 0.46 0.00 1.61 0.63 -1.26 -4.60 116.66 113.50 1de2 n ARG 57 Ca 0.00 -1.72 0.00 0.00 -0.92 0.00 0.00 57.85 55.21 1de2 n ARG 57 Cb 0.00 0.02 0.00 0.00 0.45 0.00 0.00 32.46 32.93 1de2 n ARG 57 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1de2 n ASP 58 N -0.16 0.00 -4.62 6.15 -0.08 -1.26 -5.15 116.55 111.42 1de2 n ASP 58 Ca -0.10 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 52.90 1de2 n ASP 58 Cb 0.89 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 44.24 1de2 n ASP 58 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1de2 s THR 59 N 2.58 1.95 -0.45 5.18 -1.32 -1.26 -4.97 115.64 117.35 1de2 s THR 59 Ca 0.00 -2.00 -0.09 0.00 -1.21 0.00 0.00 61.69 58.39 1de2 s THR 59 Cb 0.00 -2.97 0.11 0.00 -1.51 0.00 0.00 72.50 68.13 1de2 s THR 59 CO 0.00 0.00 0.31 0.00 -2.21 0.00 0.00 174.62 172.72 1de2 s GLN 60 N -3.72 2.49 -1.11 7.08 0.00 -1.26 -5.02 119.66 118.12 1de2 s GLN 60 Ca 0.34 -1.68 -0.21 0.00 -0.00 0.00 0.00 55.36 53.81 1de2 s GLN 60 Cb 0.10 -3.87 0.06 0.00 0.00 0.00 0.00 33.01 29.30 1de2 s GLN 60 CO 0.17 -1.12 1.54 0.96 0.00 0.00 0.00 175.29 176.85 1de2 s ILE 61 N 1.37 4.02 -1.49 3.63 -4.36 -1.26 -4.03 121.20 119.09 1de2 s ILE 61 Ca 0.05 -1.19 0.00 0.00 -0.26 0.00 0.00 60.65 59.25 1de2 s ILE 61 Cb -0.25 -5.10 0.00 0.00 1.25 0.00 0.00 42.46 38.36 1de2 s ILE 61 CO -0.00 -1.96 0.00 0.61 0.24 0.00 0.00 174.94 173.83 1de2 n GLY 62 N 6.33 -0.32 3.27 6.27 0.00 -1.26 -4.93 105.19 114.55 1de2 n GLY 62 Ca 0.38 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.48 -2.66 -4.53 0.99 7.99 -1.26 -5.00 117.00 110.06 1de2 n LEU 63 Ca -0.21 0.53 -0.25 0.00 -0.01 0.00 0.00 56.01 56.08 1de2 n LEU 63 Cb 0.66 -0.95 -0.11 0.00 -0.11 0.00 0.00 43.42 42.91 1de2 n LEU 63 CO 0.24 -4.50 -0.31 0.42 -1.51 0.00 0.00 177.39 171.74 1de2 s THR 64 N -1.96 1.72 0.16 -5.08 -4.23 -1.26 -5.16 115.64 99.82 1de2 s THR 64 Ca 0.56 -2.04 0.10 0.00 -1.18 0.00 0.00 61.69 59.13 1de2 s THR 64 Cb -0.38 -2.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.61 1de2 s THR 64 CO 0.67 -0.07 -0.22 -0.04 -0.54 0.00 0.00 174.62 174.42 1de2 s MET 65 N -3.76 1.35 0.52 3.99 1.00 -1.26 -4.34 119.30 116.81 1de2 s MET 65 Ca 0.34 -1.40 -0.07 0.00 0.00 0.00 0.00 55.69 54.56 1de2 s MET 65 Cb 0.08 -1.61 -0.04 0.00 0.00 0.00 0.00 34.83 33.26 1de2 s MET 65 CO 0.16 0.35 0.86 -1.25 0.00 0.00 0.00 175.02 175.14 1de2 s PRO 66 N -2.48 3.57 -0.32 2.03 0.05 -1.26 -4.98 135.00 131.61 1de2 s PRO 66 Ca 0.16 0.38 -0.04 0.00 0.05 0.00 0.00 61.00 61.55 1de2 s PRO 66 Cb -0.08 -2.28 0.05 0.00 0.05 0.00 0.00 34.50 32.23 1de2 s PRO 66 CO 0.07 -0.31 0.04 -1.14 0.05 0.00 0.00 177.00 175.72 1de2 s GLN 67 N -4.83 2.49 0.50 4.56 2.00 0.31 -3.89 119.66 120.80 1de2 s GLN 67 Ca 0.50 -1.25 -0.02 0.00 -2.00 0.00 0.00 55.36 52.59 1de2 s GLN 67 Cb -0.10 -3.29 -0.00 0.00 0.80 0.00 0.00 33.01 30.41 1de2 s GLN 67 CO 0.47 -0.65 0.75 0.08 -0.50 0.00 0.00 175.29 175.44 1de2 s VAL 68 N 1.31 3.97 -0.01 1.34 1.01 0.23 0.11 120.40 128.36 1de2 s VAL 68 Ca -0.04 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 1de2 s VAL 68 Cb -0.20 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 1de2 s VAL 68 CO 0.00 -0.42 0.07 -0.36 0.00 0.00 0.00 175.10 174.40 1de2 s PHE 69 N -2.70 0.06 0.60 5.22 0.08 0.30 -2.78 117.98 118.75 1de2 s PHE 69 Ca 0.50 -0.12 -0.19 0.00 0.12 0.00 0.00 56.93 57.24 1de2 s PHE 69 Cb -0.10 -0.06 -0.04 0.00 -0.57 0.00 0.00 43.02 42.25 1de2 s PHE 69 CO 0.41 -0.17 1.22 0.00 -0.10 0.00 0.00 175.22 176.57 1de2 n ALA 70 N 2.06 0.99 0.15 5.36 0.00 0.36 -1.88 120.51 127.55 1de2 n ALA 70 Ca -0.19 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.43 1de2 n ALA 70 Cb 0.57 -2.27 0.66 0.00 0.00 0.00 0.00 19.45 18.41 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 0.82 0.00 0.00 0.00 0.11 -1.90 -1.80 132.00 129.23 1de2 h PRO 71 Ca -0.50 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.41 1de2 h PRO 71 Cb 1.34 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.41 1de2 h PRO 71 CO 0.54 0.00 -1.46 0.38 -0.21 0.00 0.00 178.00 177.24 1de2 h ASP 72 N 0.00 0.00 0.00 -2.05 2.03 -1.90 -3.29 116.42 111.21 1de2 h ASP 72 Ca 0.11 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.41 1de2 h ASP 72 Cb 0.43 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.93 1de2 h ASP 72 CO -0.00 0.69 0.00 0.61 -1.03 0.00 0.00 179.24 179.51 1de2 n GLY 73 N 1.43 1.41 3.61 7.15 0.00 -0.68 -5.13 105.19 112.99 1de2 n GLY 73 Ca -0.11 -0.39 -0.01 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 -0.07 -0.26 1.61 0.01 -1.25 -4.86 113.70 108.87 1de2 s SER 74 Ca 0.00 -0.05 -0.19 0.00 1.31 0.00 0.00 55.95 57.02 1de2 s SER 74 Cb 0.00 0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.32 1de2 s SER 74 CO 0.00 -0.20 0.58 -2.28 0.41 0.00 0.00 173.24 171.75 1de2 s HIS 75 N -2.32 3.27 -0.27 2.43 2.46 -1.26 0.14 115.29 119.74 1de2 s HIS 75 Ca 0.12 0.73 -0.14 0.00 0.47 0.00 0.00 55.06 56.24 1de2 s HIS 75 Cb 0.02 -2.79 -0.13 0.00 -0.13 0.00 0.00 32.58 29.55 1de2 s HIS 75 CO -0.04 -0.31 -0.29 -0.89 -2.47 0.00 0.00 174.74 170.74 1de2 n ILE 76 N 5.18 1.53 0.00 0.89 5.41 -1.12 -4.85 119.36 126.41 1de2 n ILE 76 Ca -0.02 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.36 1de2 n ILE 76 Cb 0.49 -1.87 0.00 0.00 -0.71 0.00 0.00 39.64 37.56 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 1.34 0.70 0.00 7.39 0.00 -1.22 -4.49 105.19 108.91 1de2 n GLY 77 Ca -0.52 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 43.71 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 1.55 0.00 -0.02 0.00 -1.25 0.75 105.19 106.22 1de2 n GLY 78 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.03 1.61 7.35 -1.26 -2.03 117.46 123.10 1de2 n PHE 79 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 1de2 n PHE 79 Cb 0.00 -0.48 -0.03 0.00 0.35 0.00 0.00 39.48 39.32 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 -0.03 -1.00 -2.13 3.58 -1.99 0.17 116.42 115.03 1de2 h ASP 80 Ca 0.00 0.03 0.19 0.00 0.42 0.00 0.00 57.03 57.68 1de2 h ASP 80 Cb 0.00 0.05 -0.10 0.00 1.72 0.00 0.00 39.33 41.00 1de2 h ASP 80 CO 0.00 0.01 0.61 1.56 -2.88 0.00 0.00 179.24 178.55 1de2 h GLN 81 N 0.08 0.69 0.03 0.28 4.20 -1.91 0.85 115.11 119.34 1de2 h GLN 81 Ca 0.08 -0.04 -0.22 0.00 0.06 0.00 0.00 58.65 58.53 1de2 h GLN 81 Cb 0.09 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 1de2 h GLN 81 CO -0.12 0.46 -1.00 1.25 -0.67 0.00 0.00 178.83 178.74 1de2 h LEU 82 N 0.71 0.17 -1.93 1.46 6.46 -0.74 -3.14 115.31 118.30 1de2 h LEU 82 Ca 0.57 -0.17 0.22 0.00 -0.12 0.00 0.00 57.88 58.38 1de2 h LEU 82 Cb 0.95 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.79 1de2 h LEU 82 CO -0.35 1.07 0.55 -0.09 -0.62 0.00 0.00 178.44 179.00 1de2 h ARG 83 N 0.05 0.06 -0.27 1.25 2.43 0.18 1.52 114.38 119.59 1de2 h ARG 83 Ca -0.05 -0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 1de2 h ARG 83 Cb 1.71 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.23 1de2 h ARG 83 CO 0.15 0.04 -0.32 1.49 -1.51 0.00 0.00 179.97 179.81 1de2 h GLU 84 N 0.06 0.58 -0.69 0.20 4.81 -1.43 1.08 114.58 119.19 1de2 h GLU 84 Ca 0.37 -0.26 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1de2 h GLU 84 Cb 1.40 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.73 1de2 h GLU 84 CO -0.03 0.83 0.46 -0.92 -0.73 0.00 0.00 179.01 178.62 1de2 h TYR 85 N 0.50 0.87 0.00 0.92 5.03 0.20 -1.90 116.97 122.59 1de2 h TYR 85 Ca 0.06 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.32 1de2 h TYR 85 Cb 0.80 -0.30 -0.01 0.00 1.55 0.00 0.00 36.73 38.77 1de2 h TYR 85 CO 0.03 0.55 -1.09 0.74 -1.32 0.00 0.00 178.16 177.07 1de2 h PHE 86 N 0.94 0.00 0.00 -3.82 0.04 -0.65 -3.52 116.94 109.93 1de2 h PHE 86 Ca 0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.02 1de2 h PHE 86 Cb -0.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.04 1de2 h PHE 86 CO 0.00 0.25 0.00 1.63 -0.60 0.00 0.00 178.31 179.59