#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 1.66 -3.16 1.12 3.72 -1.26 -3.74 117.46 115.80 1de2 n PHE 2 Ca 0.00 1.08 -0.39 0.00 -0.05 0.00 0.00 57.45 58.09 1de2 n PHE 2 Cb 0.00 -2.18 -0.06 0.00 -0.94 0.00 0.00 39.48 36.30 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 3.21 4.29 -0.09 -1.08 3.01 0.43 0.15 119.74 129.67 1de2 s LYS 3 Ca 1.04 0.62 0.03 0.00 -1.01 0.00 0.00 55.97 56.65 1de2 s LYS 3 Cb -1.46 -3.51 -0.02 0.00 -1.01 0.00 0.00 37.83 31.83 1de2 s LYS 3 CO 0.78 -0.07 -0.17 0.08 0.51 0.00 0.00 175.35 176.48 1de2 s VAL 4 N 1.34 2.75 -0.44 3.17 1.01 0.15 0.18 120.40 128.56 1de2 s VAL 4 Ca 0.30 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 1de2 s VAL 4 Cb -0.16 -2.09 0.11 0.00 0.00 0.00 0.00 36.38 34.24 1de2 s VAL 4 CO 0.12 0.56 0.26 -0.31 0.00 0.00 0.00 175.10 175.73 1de2 s TYR 5 N -0.07 3.53 0.00 5.22 1.51 0.35 0.13 117.35 128.02 1de2 s TYR 5 Ca -0.04 -2.21 0.00 0.00 -1.01 0.00 0.00 57.07 53.81 1de2 s TYR 5 Cb -0.14 -3.33 0.00 0.00 -0.11 0.00 0.00 41.96 38.37 1de2 s TYR 5 CO 0.04 -0.98 0.00 0.41 -1.11 0.00 0.00 175.55 173.91 1de2 n GLY 6 N 4.70 3.50 3.21 0.71 0.00 -0.78 -0.56 105.19 115.97 1de2 n GLY 6 Ca -0.04 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 0.28 1.75 -0.37 1.61 2.02 -1.26 -2.83 117.35 118.55 1de2 s TYR 7 Ca 0.00 -0.34 0.08 0.00 -0.37 0.00 0.00 57.07 56.43 1de2 s TYR 7 Cb 0.00 -1.10 0.72 0.00 -0.40 0.00 0.00 41.96 41.19 1de2 s TYR 7 CO 0.00 0.01 1.85 -3.47 -1.57 0.00 0.00 175.55 172.37 1de2 n ASP 8 N 2.33 4.47 0.00 2.29 -0.08 -1.26 -4.87 116.55 119.43 1de2 n ASP 8 Ca -0.16 -3.35 0.00 0.00 -1.51 0.00 0.00 54.79 49.77 1de2 n ASP 8 Cb 0.53 -0.78 0.00 0.00 2.34 0.00 0.00 41.12 43.21 1de2 n ASP 8 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1de2 n SER 9 N -0.50 -4.34 -0.08 1.67 7.64 -0.94 -4.83 113.62 112.23 1de2 n SER 9 Ca 0.48 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 60.17 1de2 n SER 9 Cb 1.50 -2.51 -0.12 0.00 -1.01 0.00 0.00 64.21 62.07 1de2 n SER 9 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1de2 h ASN 10 N 0.00 0.02 0.00 6.43 -0.73 -1.97 -3.42 115.58 115.92 1de2 h ASN 10 Ca 0.00 -0.73 -0.30 0.00 1.87 0.00 0.00 56.30 57.14 1de2 h ASN 10 Cb 0.60 -0.01 -0.06 0.00 0.27 0.00 0.00 38.32 39.13 1de2 h ASN 10 CO 0.00 1.29 -2.13 -0.38 -0.37 0.00 0.00 177.43 175.85 1de2 n ILE 11 N -4.48 1.13 -3.86 2.57 2.08 -1.26 -4.99 119.36 110.55 1de2 n ILE 11 Ca -0.22 -0.63 -0.12 0.00 0.56 0.00 0.00 62.75 62.34 1de2 n ILE 11 Cb 0.61 -0.74 -0.14 0.00 -0.75 0.00 0.00 39.64 38.62 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 -2.40 -0.04 0.88 1.39 2.46 -1.26 -4.65 115.29 111.66 1de2 s HIS 12 Ca -0.13 0.10 -0.13 0.00 0.47 0.00 0.00 55.06 55.37 1de2 s HIS 12 Cb 0.05 0.01 0.15 0.00 -0.13 0.00 0.00 32.58 32.66 1de2 s HIS 12 CO 0.61 -0.03 1.23 -1.59 -2.47 0.00 0.00 174.74 172.50 1de2 s LYS 13 N -0.02 1.26 0.00 2.88 -2.85 -1.26 -2.22 119.74 117.53 1de2 s LYS 13 Ca -0.00 -0.28 0.00 0.00 -1.00 0.00 0.00 55.97 54.69 1de2 s LYS 13 Cb -0.01 -1.94 0.00 0.00 -2.06 0.00 0.00 37.83 33.83 1de2 s LYS 13 CO 0.00 -1.99 0.00 0.00 0.10 0.00 0.00 175.35 173.46 1de2 h VAL 15 N 0.00 1.35 0.00 0.00 -1.51 -2.00 -3.09 116.25 111.00 1de2 h VAL 15 Ca 0.00 -1.91 -0.02 0.00 -1.23 0.00 0.00 66.70 63.54 1de2 h VAL 15 Cb 0.00 1.90 -0.00 0.00 -2.13 0.00 0.00 31.29 31.06 1de2 h VAL 15 CO 0.00 0.58 -0.12 1.88 -1.23 0.00 0.00 177.57 178.68 1de2 h TYR 16 N 0.33 0.00 -0.41 5.19 -1.99 -1.98 -2.53 116.97 115.57 1de2 h TYR 16 Ca -0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 1de2 h TYR 16 Cb 1.13 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.84 1de2 h TYR 16 CO 0.04 0.12 0.25 0.00 -0.00 0.00 0.00 178.16 178.56 1de2 h ASP 18 N 0.54 0.00 0.08 0.00 3.32 -1.56 -1.85 116.42 116.96 1de2 h ASP 18 Ca 0.15 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.09 1de2 h ASP 18 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.57 1de2 h ASP 18 CO -0.03 0.00 -0.48 0.78 -1.72 0.00 0.00 179.24 177.79 1de2 h ASN 19 N 0.00 0.28 0.11 6.45 2.35 -1.36 -2.65 115.58 120.76 1de2 h ASN 19 Ca 0.08 -0.97 0.01 0.00 -0.55 0.00 0.00 56.30 54.87 1de2 h ASN 19 Cb 0.51 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1de2 h ASN 19 CO -0.00 1.23 -0.18 0.00 -1.65 0.00 0.00 177.43 176.83 1de2 h ALA 20 N 0.05 -0.31 -0.54 -0.83 0.00 -0.98 0.64 119.26 117.28 1de2 h ALA 20 Ca -0.08 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1de2 h ALA 20 Cb 1.38 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 1de2 h ALA 20 CO 0.09 -0.71 0.36 -0.22 0.00 0.00 0.00 179.25 178.77 1de2 h LYS 21 N -0.36 0.70 -0.63 0.00 3.64 -1.57 -1.17 116.57 117.18 1de2 h LYS 21 Ca 0.02 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1de2 h LYS 21 Cb 0.37 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 1de2 h LYS 21 CO -0.10 0.46 0.30 -0.09 -2.27 0.00 0.00 179.45 177.76 1de2 h ARG 22 N 0.72 0.91 0.15 1.90 9.65 -1.08 0.23 114.38 126.87 1de2 h ARG 22 Ca 0.20 -0.14 0.01 0.00 -1.10 0.00 0.00 59.98 58.96 1de2 h ARG 22 Cb -0.07 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.33 1de2 h ARG 22 CO -0.05 0.73 -0.20 1.25 2.80 0.00 0.00 179.97 184.50 1de2 h LEU 23 N 0.87 -0.55 -0.62 3.80 6.46 0.79 0.31 115.31 126.37 1de2 h LEU 23 Ca 0.22 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 58.05 1de2 h LEU 23 Cb 0.12 0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.22 1de2 h LEU 23 CO -0.03 -0.29 0.40 -0.07 -0.62 0.00 0.00 178.44 177.83 1de2 h LEU 24 N -0.41 0.67 -0.65 2.25 3.38 -1.05 0.84 115.31 120.34 1de2 h LEU 24 Ca 0.01 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1de2 h LEU 24 Cb 0.40 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1de2 h LEU 24 CO -0.08 0.48 0.42 0.74 0.09 0.00 0.00 178.44 180.08 1de2 h THR 25 N 0.80 1.13 -0.28 0.22 2.02 -0.50 0.36 112.91 116.65 1de2 h THR 25 Ca 0.24 -0.29 -0.17 0.00 0.77 0.00 0.00 66.41 66.96 1de2 h THR 25 Cb -0.03 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.58 1de2 h THR 25 CO -0.08 0.15 -0.50 0.58 0.37 0.00 0.00 175.52 176.04 1de2 h VAL 26 N 0.84 1.29 0.00 3.16 2.07 0.30 -2.69 116.25 121.22 1de2 h VAL 26 Ca 0.25 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 66.07 1de2 h VAL 26 Cb -0.04 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1de2 h VAL 26 CO -0.08 0.55 0.00 1.17 0.02 0.00 0.00 177.57 179.23 1de2 n LYS 27 N -4.01 0.02 -2.88 1.57 0.00 0.29 -4.92 118.16 108.23 1de2 n LYS 27 Ca -0.03 0.14 -0.12 0.00 0.00 0.00 0.00 58.31 58.30 1de2 n LYS 27 Cb 0.60 -1.50 0.06 0.00 0.00 0.00 0.00 35.03 34.18 1de2 n LYS 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1de2 n LYS 28 N -1.49 -1.80 -3.46 1.64 4.81 0.11 -5.03 118.16 112.94 1de2 n LYS 28 Ca 0.05 0.68 -0.17 0.00 -0.87 0.00 0.00 58.31 58.01 1de2 n LYS 28 Cb 0.24 -4.91 -0.12 0.00 0.02 0.00 0.00 35.03 30.26 1de2 n LYS 28 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1de2 s GLN 29 N -4.10 0.23 0.93 1.64 -1.52 -0.21 -5.03 119.66 111.60 1de2 s GLN 29 Ca 0.36 0.21 -0.14 0.00 -1.95 0.00 0.00 55.36 53.84 1de2 s GLN 29 Cb -0.05 -1.04 0.08 0.00 -0.22 0.00 0.00 33.01 31.79 1de2 s GLN 29 CO 0.58 -0.70 -0.03 -2.30 -0.25 0.00 0.00 175.29 172.60 1de2 n PRO 30 N 5.32 -1.48 -3.80 2.91 -0.02 -1.26 -4.52 135.00 132.15 1de2 n PRO 30 Ca -0.05 -0.44 -0.05 0.00 -2.02 0.00 0.00 63.50 60.95 1de2 n PRO 30 Cb 0.49 -1.36 -0.01 0.00 -0.02 0.00 0.00 33.50 32.60 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 -0.13 -0.11 6.00 -0.71 -1.26 -4.35 117.98 115.34 1de2 s PHE 31 Ca 0.32 -0.25 -0.01 0.00 -1.04 0.00 0.00 56.93 55.95 1de2 s PHE 31 Cb -0.03 0.68 0.03 0.00 -1.21 0.00 0.00 43.02 42.48 1de2 s PHE 31 CO 0.36 -1.01 -0.02 -2.00 -1.34 0.00 0.00 175.22 171.21 1de2 s GLU 32 N -3.44 0.95 0.42 1.99 2.12 0.40 -4.75 118.70 116.39 1de2 s GLU 32 Ca 0.12 -0.13 -0.04 0.00 0.36 0.00 0.00 54.97 55.28 1de2 s GLU 32 Cb -0.03 -1.40 -0.04 0.00 0.26 0.00 0.00 34.13 32.92 1de2 s GLU 32 CO 0.04 -0.35 0.70 0.12 -0.54 0.00 0.00 175.26 175.23 1de2 s PHE 33 N 1.85 3.53 -0.12 5.30 5.36 -1.26 0.30 117.98 132.94 1de2 s PHE 33 Ca 0.04 0.70 -0.05 0.00 -0.96 0.00 0.00 56.93 56.66 1de2 s PHE 33 Cb -0.13 -2.19 0.06 0.00 -0.34 0.00 0.00 43.02 40.41 1de2 s PHE 33 CO -0.07 -0.11 0.25 0.42 -1.46 0.00 0.00 175.22 174.25 1de2 s ILE 34 N -2.52 -0.32 -0.17 3.12 1.01 0.34 -4.74 121.20 117.91 1de2 s ILE 34 Ca 0.45 0.26 -0.26 0.00 0.00 0.00 0.00 60.65 61.11 1de2 s ILE 34 Cb -0.10 -0.41 -0.01 0.00 0.01 0.00 0.00 42.46 41.95 1de2 s ILE 34 CO 0.40 0.11 0.87 0.54 0.00 0.00 0.00 174.94 176.85 1de2 s ASN 35 N 2.17 6.98 -0.15 3.58 4.22 -1.26 -1.88 114.94 128.61 1de2 s ASN 35 Ca -0.01 1.21 0.19 0.00 -2.14 0.00 0.00 52.86 52.12 1de2 s ASN 35 Cb -0.12 -2.47 -0.27 0.00 1.28 0.00 0.00 41.25 39.67 1de2 s ASN 35 CO -0.08 -0.44 0.19 2.30 -2.04 0.00 0.00 177.10 177.03 1de2 n ILE 36 N 4.81 0.95 -3.94 0.54 -5.35 -1.13 -4.80 119.36 110.44 1de2 n ILE 36 Ca 0.06 -0.74 -0.30 0.00 -0.27 0.00 0.00 62.75 61.50 1de2 n ILE 36 Cb 0.48 -0.32 -0.14 0.00 -1.74 0.00 0.00 39.64 37.92 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 -2.79 1.72 0.00 6.28 0.00 -1.26 -0.28 119.30 122.97 1de2 s MET 37 Ca -0.09 -2.29 0.27 0.00 0.00 0.00 0.00 55.69 53.59 1de2 s MET 37 Cb 0.08 -3.16 1.49 0.00 0.00 0.00 0.00 34.83 33.25 1de2 s MET 37 CO 0.84 -1.06 1.98 -0.35 0.00 0.00 0.00 175.02 176.43 1de2 n PRO 38 N 3.56 1.18 -3.83 4.11 -0.04 -1.26 -4.66 135.00 134.05 1de2 n PRO 38 Ca 0.05 -0.26 -0.13 0.00 -0.04 0.00 0.00 63.50 63.12 1de2 n PRO 38 Cb 0.36 -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 -1.98 0.04 0.00 0.54 2.02 -1.26 -4.99 118.70 113.07 1de2 s GLU 39 Ca 0.41 0.10 0.08 0.00 0.02 0.00 0.00 54.97 55.58 1de2 s GLU 39 Cb 0.19 -0.04 0.37 0.00 0.10 0.00 0.00 34.13 34.76 1de2 s GLU 39 CO 0.32 -0.04 1.21 1.63 0.02 0.00 0.00 175.26 178.40 1de2 n LYS 40 N 3.33 0.05 -0.01 1.61 5.02 -1.26 -3.41 118.16 123.48 1de2 n LYS 40 Ca -0.16 0.30 -0.01 0.00 -2.02 0.00 0.00 58.31 56.43 1de2 n LYS 40 Cb 0.58 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 34.08 1de2 n LYS 40 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1de2 n GLY 41 N -0.63 -0.58 2.95 0.72 0.00 -1.26 -5.01 105.19 101.37 1de2 n GLY 41 Ca 0.03 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 1de2 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1de2 s VAL 42 N -1.21 0.54 1.13 1.61 1.01 -1.22 -5.15 120.40 117.11 1de2 s VAL 42 Ca -0.03 -0.22 -0.13 0.00 0.00 0.00 0.00 61.98 61.61 1de2 s VAL 42 Cb 0.00 -0.50 0.27 0.00 0.00 0.00 0.00 36.38 36.15 1de2 s VAL 42 CO 0.04 0.18 1.04 0.72 0.00 0.00 0.00 175.10 177.09 1de2 s PHE 43 N 0.31 1.52 -0.20 5.22 -0.12 -1.26 -4.11 117.98 119.34 1de2 s PHE 43 Ca -0.04 1.12 -0.28 0.00 -0.05 0.00 0.00 56.93 57.68 1de2 s PHE 43 Cb -0.08 -3.14 0.00 0.00 -0.63 0.00 0.00 43.02 39.17 1de2 s PHE 43 CO -0.00 -3.67 0.99 0.34 -0.05 0.00 0.00 175.22 172.83 1de2 s ASP 44 N -2.75 7.09 0.63 1.98 -1.08 0.62 -4.87 116.67 118.29 1de2 s ASP 44 Ca 0.68 1.36 0.38 0.00 -0.52 0.00 0.00 52.55 54.45 1de2 s ASP 44 Cb -0.23 -2.53 2.12 0.00 -1.46 0.00 0.00 42.92 40.82 1de2 s ASP 44 CO 0.63 -0.58 2.31 0.44 0.52 0.00 0.00 175.17 178.48 1de2 h ASP 45 N 7.38 0.00 0.59 -0.34 3.32 -1.92 -2.00 116.42 123.45 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 1.09 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.64 1de2 h ASP 45 CO 0.93 0.01 -0.28 -0.33 -1.72 0.00 0.00 179.24 177.84 1de2 h GLU 46 N 0.00 -0.76 -0.19 3.56 5.08 -1.94 0.24 114.58 120.57 1de2 h GLU 46 Ca -0.00 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1de2 h GLU 46 Cb 0.03 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1de2 h GLU 46 CO 0.00 -0.45 0.04 0.87 -1.00 0.00 0.00 179.01 178.47 1de2 h LYS 47 N -1.03 0.32 -0.94 2.33 1.79 -1.82 -1.00 116.57 116.22 1de2 h LYS 47 Ca -0.08 -0.08 0.04 0.00 -2.18 0.00 0.00 60.65 58.34 1de2 h LYS 47 Cb 0.66 -0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 31.22 1de2 h LYS 47 CO 0.13 0.46 0.62 0.82 -1.08 0.00 0.00 179.45 180.41 1de2 h ILE 48 N 0.12 1.16 -0.30 1.86 5.03 -1.43 0.58 117.51 124.54 1de2 h ILE 48 Ca 0.06 -0.41 -0.04 0.00 -0.12 0.00 0.00 64.86 64.35 1de2 h ILE 48 Cb 0.30 -0.13 -0.01 0.00 -3.03 0.00 0.00 36.82 33.95 1de2 h ILE 48 CO 0.00 0.22 0.02 0.00 -0.68 0.00 0.00 178.15 177.71 1de2 h ALA 49 N 1.45 0.40 -0.50 1.87 0.00 -0.30 -1.68 119.26 120.50 1de2 h ALA 49 Ca 0.38 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1de2 h ALA 49 Cb 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1de2 h ALA 49 CO -0.12 0.12 -0.09 1.49 0.00 0.00 0.00 179.25 180.65 1de2 h GLU 50 N 0.31 0.95 -0.09 0.00 4.81 -0.55 -2.85 114.58 117.16 1de2 h GLU 50 Ca 0.09 -0.35 0.02 0.00 -0.13 0.00 0.00 59.36 58.99 1de2 h GLU 50 Cb 0.40 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1de2 h GLU 50 CO 0.01 1.01 -0.05 1.25 -0.73 0.00 0.00 179.01 180.50 1de2 h LEU 51 N 0.81 -0.16 -0.62 1.64 5.85 0.26 0.23 115.31 123.32 1de2 h LEU 51 Ca 0.13 0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.00 1de2 h LEU 51 Cb 0.64 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.68 1de2 h LEU 51 CO 0.04 -0.07 0.20 -0.07 -0.34 0.00 0.00 178.44 178.20 1de2 h LEU 52 N -0.05 0.16 -0.97 2.25 3.38 -1.25 0.78 115.31 119.61 1de2 h LEU 52 Ca 0.05 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1de2 h LEU 52 Cb 0.13 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1de2 h LEU 52 CO -0.12 0.09 -0.34 0.74 0.09 0.00 0.00 178.44 178.90 1de2 h THR 53 N 0.36 1.28 -0.68 0.22 2.02 -1.21 -2.77 112.91 112.13 1de2 h THR 53 Ca 0.32 -1.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.06 1de2 h THR 53 Cb 0.44 1.54 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 1de2 h THR 53 CO -0.35 0.42 0.18 0.11 0.37 0.00 0.00 175.52 176.25 1de2 h LYS 54 N 0.28 1.08 0.31 6.66 1.79 0.16 -3.26 116.57 123.59 1de2 h LYS 54 Ca 0.03 -0.25 -0.02 0.00 -2.18 0.00 0.00 60.65 58.24 1de2 h LYS 54 Cb 0.74 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1de2 h LYS 54 CO 0.06 0.94 -0.15 -0.07 -1.08 0.00 0.00 179.45 179.15 1de2 h LEU 55 N 1.03 -0.35 0.00 2.94 3.38 -0.73 -3.45 115.31 118.12 1de2 h LEU 55 Ca 0.22 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1de2 h LEU 55 Cb 0.35 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1de2 h LEU 55 CO -0.00 -0.24 0.00 0.61 0.09 0.00 0.00 178.44 178.90 1de2 n GLY 56 N -1.03 0.57 2.02 0.83 0.00 -1.12 -4.97 105.19 101.49 1de2 n GLY 56 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 1de2 n GLY 56 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1de2 n ARG 57 N 0.00 1.23 -0.07 1.61 1.85 -1.25 -5.00 116.66 115.03 1de2 n ARG 57 Ca 0.00 -1.98 -0.04 0.00 -1.00 0.00 0.00 57.85 54.83 1de2 n ARG 57 Cb 0.00 0.43 -0.15 0.00 -1.05 0.00 0.00 32.46 31.69 1de2 n ARG 57 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1de2 n ASP 58 N -1.41 0.38 -4.99 2.89 8.00 -1.26 -4.19 116.55 115.96 1de2 n ASP 58 Ca -0.08 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.22 1de2 n ASP 58 Cb 0.35 1.21 0.03 0.00 -0.02 0.00 0.00 41.12 42.68 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 -2.70 2.79 -0.37 -3.53 -1.32 -1.26 -4.98 115.64 104.27 1de2 s THR 59 Ca -0.09 -0.79 0.00 0.00 -1.21 0.00 0.00 61.69 59.60 1de2 s THR 59 Cb 0.07 -3.00 0.10 0.00 -1.51 0.00 0.00 72.50 68.17 1de2 s THR 59 CO 0.79 0.00 0.13 -1.10 -2.21 0.00 0.00 174.62 172.22 1de2 s GLN 60 N -4.60 1.79 -1.16 7.08 -0.21 -1.26 -5.04 119.66 116.25 1de2 s GLN 60 Ca 0.56 -1.83 -0.21 0.00 0.02 0.00 0.00 55.36 53.91 1de2 s GLN 60 Cb -0.10 -3.40 0.06 0.00 1.00 0.00 0.00 33.01 30.56 1de2 s GLN 60 CO 0.36 -1.00 1.61 0.42 -2.12 0.00 0.00 175.29 174.56 1de2 s ILE 61 N 1.04 4.00 -1.74 1.08 1.01 -1.26 -4.13 121.20 121.20 1de2 s ILE 61 Ca 0.09 -1.33 0.00 0.00 0.00 0.00 0.00 60.65 59.41 1de2 s ILE 61 Cb -0.21 -5.10 0.00 0.00 0.01 0.00 0.00 42.46 37.16 1de2 s ILE 61 CO -0.06 -1.95 0.00 0.61 0.00 0.00 0.00 174.94 173.54 1de2 n GLY 62 N 6.14 0.50 3.78 6.18 0.00 -1.26 -4.90 105.19 115.62 1de2 n GLY 62 Ca 0.41 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.02 1de2 n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1de2 s LEU 63 N -5.26 4.31 0.25 0.99 2.01 -1.26 -5.02 118.68 114.71 1de2 s LEU 63 Ca 0.00 3.07 0.10 0.00 0.01 0.00 0.00 54.13 57.31 1de2 s LEU 63 Cb 0.00 -3.67 -0.05 0.00 0.01 0.00 0.00 46.19 42.48 1de2 s LEU 63 CO 0.00 -0.90 -0.18 0.42 1.01 0.00 0.00 176.35 176.70 1de2 s THR 64 N -1.00 2.22 0.19 5.49 -4.23 -1.26 -5.12 115.64 111.92 1de2 s THR 64 Ca 0.54 -2.34 0.10 0.00 -1.18 0.00 0.00 61.69 58.82 1de2 s THR 64 Cb -0.47 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.11 1de2 s THR 64 CO 0.62 -0.47 -0.18 -0.04 -0.54 0.00 0.00 174.62 174.02 1de2 s MET 65 N -3.56 1.76 0.54 3.99 1.00 -1.26 -4.21 119.30 117.56 1de2 s MET 65 Ca 0.27 -1.42 -0.16 0.00 0.00 0.00 0.00 55.69 54.39 1de2 s MET 65 Cb -0.03 -1.98 -0.07 0.00 0.00 0.00 0.00 34.83 32.75 1de2 s MET 65 CO 0.12 0.41 1.00 -2.14 0.00 0.00 0.00 175.02 174.41 1de2 s PRO 66 N -2.76 3.84 -0.18 2.03 0.02 -1.26 -5.03 135.00 131.65 1de2 s PRO 66 Ca 0.23 0.94 -0.04 0.00 0.02 0.00 0.00 61.00 62.15 1de2 s PRO 66 Cb -0.08 -2.12 -0.02 0.00 0.02 0.00 0.00 34.50 32.30 1de2 s PRO 66 CO 0.12 -0.37 -0.03 -0.65 -0.33 0.00 0.00 177.00 175.74 1de2 s GLN 67 N -4.26 3.57 0.28 5.54 -1.52 0.27 -4.41 119.66 119.12 1de2 s GLN 67 Ca 0.59 -0.56 0.03 0.00 -1.95 0.00 0.00 55.36 53.47 1de2 s GLN 67 Cb -0.11 -2.97 -0.03 0.00 -0.22 0.00 0.00 33.01 29.68 1de2 s GLN 67 CO 0.36 0.06 0.43 0.08 -0.25 0.00 0.00 175.29 175.96 1de2 s VAL 68 N 0.83 5.21 0.00 1.09 1.01 0.23 0.13 120.40 128.90 1de2 s VAL 68 Ca -0.01 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 1de2 s VAL 68 Cb -0.14 -3.86 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 1de2 s VAL 68 CO 0.02 -0.40 0.08 -0.36 0.00 0.00 0.00 175.10 174.43 1de2 s PHE 69 N -2.09 0.08 0.38 5.22 0.08 0.48 -2.76 117.98 119.38 1de2 s PHE 69 Ca 0.36 -0.18 -0.27 0.00 0.12 0.00 0.00 56.93 56.96 1de2 s PHE 69 Cb -0.09 -0.08 -0.11 0.00 -0.57 0.00 0.00 43.02 42.17 1de2 s PHE 69 CO 0.31 -0.21 1.27 0.00 -0.10 0.00 0.00 175.22 176.49 1de2 n ALA 70 N 1.78 1.28 -0.65 5.36 0.00 0.21 -0.43 120.51 128.07 1de2 n ALA 70 Ca -0.21 0.31 0.50 0.00 0.00 0.00 0.00 53.44 54.04 1de2 n ALA 70 Cb 0.56 -2.26 0.80 0.00 0.00 0.00 0.00 19.45 18.55 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 2.31 0.00 0.00 0.00 0.11 -1.89 -3.00 132.00 129.53 1de2 h PRO 71 Ca -0.47 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 1de2 h PRO 71 Cb 1.29 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.31 1de2 h PRO 71 CO 0.61 0.00 -0.17 -0.40 -0.21 0.00 0.00 178.00 177.83 1de2 n ASP 72 N -4.07 -0.72 0.00 -2.05 5.68 -1.26 -4.25 116.55 109.88 1de2 n ASP 72 Ca 0.43 -1.43 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 1de2 n ASP 72 Cb 1.90 0.28 0.00 0.00 -1.14 0.00 0.00 41.12 42.16 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 -0.39 1.80 3.37 6.12 0.00 -1.13 -5.18 105.19 109.79 1de2 n GLY 73 Ca -0.15 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 1de2 n GLY 73 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1de2 n SER 74 N 0.00 1.15 -4.74 1.61 7.64 -1.26 -4.78 113.62 113.23 1de2 n SER 74 Ca 0.00 -3.19 -0.41 0.00 1.01 0.00 0.00 58.87 56.28 1de2 n SER 74 Cb 0.00 1.07 -0.02 0.00 -1.01 0.00 0.00 64.21 64.25 1de2 n SER 74 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1de2 s HIS 75 N -3.11 2.98 -0.21 1.43 2.46 -1.26 0.67 115.29 118.25 1de2 s HIS 75 Ca 0.22 0.93 -0.00 0.00 0.47 0.00 0.00 55.06 56.68 1de2 s HIS 75 Cb 0.01 -3.88 -0.13 0.00 -0.13 0.00 0.00 32.58 28.45 1de2 s HIS 75 CO 0.15 -2.92 -0.20 -0.89 -2.47 0.00 0.00 174.74 168.41 1de2 n ILE 76 N 2.53 1.19 0.00 0.89 5.41 -1.11 -4.82 119.36 123.45 1de2 n ILE 76 Ca 0.08 -0.44 0.00 0.00 1.00 0.00 0.00 62.75 63.39 1de2 n ILE 76 Cb 0.39 -1.31 0.00 0.00 -0.71 0.00 0.00 39.64 38.02 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 2.40 0.73 0.00 7.39 0.00 -1.21 -4.54 105.19 109.95 1de2 n GLY 77 Ca -0.38 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 0.75 0.00 -0.02 0.00 -1.26 0.75 105.19 105.41 1de2 n GLY 78 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.20 1.61 7.35 -1.26 -2.34 117.46 122.61 1de2 n PHE 79 Ca 0.00 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1de2 n PHE 79 Cb 0.00 -0.49 0.10 0.00 0.35 0.00 0.00 39.48 39.45 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 0.29 -0.52 -2.13 1.82 -1.99 -0.13 116.42 113.75 1de2 h ASP 80 Ca 0.00 0.07 0.06 0.00 -0.39 0.00 0.00 57.03 56.76 1de2 h ASP 80 Cb 0.00 0.03 -0.05 0.00 0.68 0.00 0.00 39.33 39.99 1de2 h ASP 80 CO 0.00 0.17 0.24 -0.61 -1.61 0.00 0.00 179.24 177.44 1de2 h GLN 81 N 0.45 0.46 -0.62 0.28 4.15 -1.90 -2.19 115.11 115.73 1de2 h GLN 81 Ca 0.30 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.64 1de2 h GLN 81 Cb 0.34 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 1de2 h GLN 81 CO -0.28 0.30 0.16 1.25 -1.93 0.00 0.00 178.83 178.33 1de2 h LEU 82 N 0.47 0.94 -1.62 -2.39 5.85 -0.91 -2.30 115.31 115.34 1de2 h LEU 82 Ca 0.24 -0.23 0.19 0.00 0.84 0.00 0.00 57.88 58.92 1de2 h LEU 82 Cb 0.19 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 1de2 h LEU 82 CO -0.19 0.92 0.55 -0.09 -0.34 0.00 0.00 178.44 179.29 1de2 h ARG 83 N 0.91 0.33 -0.17 1.25 2.43 -0.44 0.87 114.38 119.56 1de2 h ARG 83 Ca 0.20 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.22 1de2 h ARG 83 Cb 0.34 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1de2 h ARG 83 CO 0.00 0.22 -0.43 0.93 -1.51 0.00 0.00 179.97 179.18 1de2 h GLU 84 N 0.34 0.40 -0.25 0.20 4.39 -1.06 1.01 114.58 119.61 1de2 h GLU 84 Ca 0.41 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.86 1de2 h GLU 84 Cb 1.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1de2 h GLU 84 CO -0.12 0.76 -0.07 -0.92 -1.16 0.00 0.00 179.01 177.50 1de2 h TYR 85 N 0.33 0.40 0.00 4.33 5.03 0.91 -3.33 116.97 124.64 1de2 h TYR 85 Ca 0.03 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.29 1de2 h TYR 85 Cb 0.89 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 39.06 1de2 h TYR 85 CO 0.03 0.46 -0.01 1.19 -1.32 0.00 0.00 178.16 178.50 1de2 n PHE 86 N -4.28 0.02 0.00 -3.82 3.72 -0.40 -5.12 117.46 107.59 1de2 n PHE 86 Ca 0.00 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1de2 n PHE 86 Cb 0.26 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1de2 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34