#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 0.28 -4.05 1.12 3.72 -1.26 -4.08 117.46 113.20 1de2 n PHE 2 Ca 0.00 0.89 -0.34 0.00 -0.05 0.00 0.00 57.45 57.95 1de2 n PHE 2 Cb 0.00 -2.08 -0.15 0.00 -0.94 0.00 0.00 39.48 36.31 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 -0.85 3.21 -0.23 -1.08 3.01 0.21 0.17 119.74 124.18 1de2 s LYS 3 Ca 0.69 -0.72 -0.06 0.00 -1.01 0.00 0.00 55.97 54.87 1de2 s LYS 3 Cb -0.93 -2.80 -0.02 0.00 -1.01 0.00 0.00 37.83 33.06 1de2 s LYS 3 CO 0.56 -0.18 0.03 0.08 0.51 0.00 0.00 175.35 176.35 1de2 s VAL 4 N 1.34 4.05 -0.52 3.17 1.01 -0.57 0.10 120.40 128.98 1de2 s VAL 4 Ca 0.05 -0.27 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 1de2 s VAL 4 Cb -0.14 -2.87 0.11 0.00 0.00 0.00 0.00 36.38 33.49 1de2 s VAL 4 CO -0.07 0.38 0.47 -0.31 0.00 0.00 0.00 175.10 175.57 1de2 s TYR 5 N 1.42 3.25 0.00 5.22 2.02 0.36 -0.30 117.35 129.33 1de2 s TYR 5 Ca 0.05 -1.20 0.00 0.00 -0.37 0.00 0.00 57.07 55.55 1de2 s TYR 5 Cb -0.15 -3.61 0.00 0.00 -0.40 0.00 0.00 41.96 37.80 1de2 s TYR 5 CO 0.02 -0.96 0.00 0.41 -1.57 0.00 0.00 175.55 173.45 1de2 n GLY 6 N 5.23 3.34 3.51 0.71 0.00 -0.91 0.78 105.19 117.86 1de2 n GLY 6 Ca -0.13 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 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 0.21 2.39 0.00 1.61 2.02 -1.26 0.49 117.35 122.80 1de2 s TYR 7 Ca 0.00 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1de2 s TYR 7 Cb 0.00 -1.04 0.00 0.00 -0.40 0.00 0.00 41.96 40.52 1de2 s TYR 7 CO 0.00 0.70 0.00 -3.47 -1.57 0.00 0.00 175.55 171.21 1de2 n ASP 8 N -0.68 0.00 0.00 2.29 -0.08 -1.25 -4.91 116.55 111.91 1de2 n ASP 8 Ca -0.05 0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1de2 n ASP 8 Cb 0.60 -0.34 0.00 0.00 2.34 0.00 0.00 41.12 43.72 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 -2.08 0.00 0.09 1.67 7.64 -1.17 -4.68 113.62 115.09 1de2 n SER 9 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 1de2 n SER 9 Cb 0.00 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.39 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 0.25 0.00 6.43 -0.73 -2.00 -3.31 115.58 116.21 1de2 h ASN 10 Ca 0.00 -0.11 -0.37 0.00 1.87 0.00 0.00 56.30 57.68 1de2 h ASN 10 Cb 0.00 -0.07 -0.07 0.00 0.27 0.00 0.00 38.32 38.45 1de2 h ASN 10 CO 0.00 0.68 -2.40 -0.38 -0.37 0.00 0.00 177.43 174.96 1de2 n ILE 11 N -3.98 1.41 -3.65 2.57 2.08 -1.26 -4.97 119.36 111.56 1de2 n ILE 11 Ca -0.02 -0.77 -0.05 0.00 0.56 0.00 0.00 62.75 62.48 1de2 n ILE 11 Cb 0.52 -0.74 -0.06 0.00 -0.75 0.00 0.00 39.64 38.61 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 -2.49 -1.11 0.54 1.39 2.46 -1.25 -4.76 115.29 110.07 1de2 s HIS 12 Ca -0.17 2.02 -0.20 0.00 0.47 0.00 0.00 55.06 57.18 1de2 s HIS 12 Cb 0.07 0.61 -0.05 0.00 -0.13 0.00 0.00 32.58 33.08 1de2 s HIS 12 CO 0.76 -0.58 1.21 -1.59 -2.47 0.00 0.00 174.74 172.07 1de2 s LYS 13 N 2.54 3.26 -0.30 2.88 0.00 -1.26 -3.04 119.74 123.82 1de2 s LYS 13 Ca -0.06 1.85 -0.12 0.00 0.00 0.00 0.00 55.97 57.64 1de2 s LYS 13 Cb -0.11 -2.11 0.15 0.00 0.00 0.00 0.00 37.83 35.76 1de2 s LYS 13 CO -0.17 -0.98 0.85 0.00 0.00 0.00 0.00 175.35 175.04 1de2 h VAL 15 N 5.70 1.08 0.00 0.00 -1.51 -1.96 -3.33 116.25 116.23 1de2 h VAL 15 Ca -0.17 -2.71 -0.01 0.00 -1.23 0.00 0.00 66.70 62.58 1de2 h VAL 15 Cb 1.12 2.75 -0.00 0.00 -2.13 0.00 0.00 31.29 33.02 1de2 h VAL 15 CO 0.09 0.82 -0.06 1.88 -1.23 0.00 0.00 177.57 179.07 1de2 h TYR 16 N 0.08 0.00 -0.24 5.19 -1.99 -1.99 -2.54 116.97 115.48 1de2 h TYR 16 Ca -0.27 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.50 1de2 h TYR 16 Cb 2.04 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 40.73 1de2 h TYR 16 CO 0.07 0.06 -0.00 0.00 -0.00 0.00 0.00 178.16 178.28 1de2 h ASP 18 N 0.07 0.47 0.04 0.00 3.58 -1.64 -1.12 116.42 117.82 1de2 h ASP 18 Ca 0.11 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 1de2 h ASP 18 Cb 0.15 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1de2 h ASP 18 CO -0.19 0.29 -0.02 0.78 -2.88 0.00 0.00 179.24 177.21 1de2 h ASN 19 N 0.52 -0.05 -0.60 2.28 2.35 -1.28 -1.91 115.58 116.89 1de2 h ASN 19 Ca 0.29 -0.56 0.08 0.00 -0.55 0.00 0.00 56.30 55.56 1de2 h ASN 19 Cb 0.46 0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.78 1de2 h ASN 19 CO -0.09 0.56 0.27 0.00 -1.65 0.00 0.00 177.43 176.52 1de2 h ALA 20 N 0.18 0.79 -0.64 -0.83 0.00 -0.71 0.15 119.26 118.20 1de2 h ALA 20 Ca -0.01 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1de2 h ALA 20 Cb 0.61 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1de2 h ALA 20 CO 0.01 -0.13 0.12 -0.22 0.00 0.00 0.00 179.25 179.04 1de2 h LYS 21 N 0.48 1.05 -0.60 0.00 3.64 -1.29 -2.54 116.57 117.32 1de2 h LYS 21 Ca 0.29 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1de2 h LYS 21 Cb 0.30 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1de2 h LYS 21 CO -0.25 0.96 0.24 0.00 -2.27 0.00 0.00 179.45 178.13 1de2 h ARG 22 N 0.97 0.86 0.49 1.90 2.47 -0.43 0.16 114.38 120.81 1de2 h ARG 22 Ca 0.20 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 58.77 1de2 h ARG 22 Cb 0.41 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 1de2 h ARG 22 CO 0.01 0.71 -0.35 1.25 0.56 0.00 0.00 179.97 182.14 1de2 h LEU 23 N 0.85 -0.92 -1.69 3.04 6.46 -0.34 0.69 115.31 123.41 1de2 h LEU 23 Ca 0.20 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 58.00 1de2 h LEU 23 Cb 0.16 0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 1de2 h LEU 23 CO -0.02 -0.53 -0.12 -0.07 -0.62 0.00 0.00 178.44 177.08 1de2 h LEU 24 N -0.83 0.04 -0.51 2.25 3.38 -1.29 0.48 115.31 118.84 1de2 h LEU 24 Ca -0.05 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 1de2 h LEU 24 Cb 0.69 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1de2 h LEU 24 CO 0.02 0.17 -0.55 0.74 0.09 0.00 0.00 178.44 178.91 1de2 h THR 25 N 0.04 1.32 -0.00 0.22 2.02 -0.24 -1.30 112.91 114.97 1de2 h THR 25 Ca 0.01 -1.79 -0.04 0.00 0.77 0.00 0.00 66.41 65.36 1de2 h THR 25 Cb 0.24 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1de2 h THR 25 CO 0.02 0.56 -0.14 0.58 0.37 0.00 0.00 175.52 176.90 1de2 h VAL 26 N 0.44 1.58 0.00 3.16 2.07 0.15 -3.17 116.25 120.48 1de2 h VAL 26 Ca 0.01 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.62 1de2 h VAL 26 Cb 1.09 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.68 1de2 h VAL 26 CO 0.10 0.51 0.00 0.11 0.02 0.00 0.00 177.57 178.31 1de2 h LYS 27 N -0.62 0.00 -3.82 1.57 6.56 -0.11 -3.46 116.57 116.68 1de2 h LYS 27 Ca -0.02 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.45 1de2 h LYS 27 Cb 0.91 0.00 0.08 0.00 -0.57 0.00 0.00 32.23 32.65 1de2 h LYS 27 CO 0.03 0.00 -0.35 1.17 -2.06 0.00 0.00 179.45 178.23 1de2 n LYS 28 N -3.07 -1.92 -3.70 3.15 4.81 -0.68 -5.06 118.16 111.69 1de2 n LYS 28 Ca -0.03 0.37 -0.19 0.00 -0.87 0.00 0.00 58.31 57.60 1de2 n LYS 28 Cb 0.10 -3.67 -0.17 0.00 0.02 0.00 0.00 35.03 31.30 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 -4.09 -0.05 0.94 1.64 -1.52 -0.58 -5.06 119.66 110.94 1de2 s GLN 29 Ca 0.10 0.32 -0.14 0.00 -1.95 0.00 0.00 55.36 53.69 1de2 s GLN 29 Cb -0.01 -0.45 -0.03 0.00 -0.22 0.00 0.00 33.01 32.30 1de2 s GLN 29 CO 0.32 -0.29 0.06 -0.35 -0.25 0.00 0.00 175.29 174.78 1de2 n PRO 30 N 5.00 -0.16 -3.81 2.91 -0.04 -1.26 -4.64 135.00 133.00 1de2 n PRO 30 Ca -0.10 -0.02 -0.05 0.00 -0.04 0.00 0.00 63.50 63.30 1de2 n PRO 30 Cb 0.50 -1.59 -0.01 0.00 -0.04 0.00 0.00 33.50 32.35 1de2 n PRO 30 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1de2 s PHE 31 N -2.24 -0.14 -0.11 0.54 -0.12 -1.26 -4.24 117.98 110.41 1de2 s PHE 31 Ca 0.53 -0.26 -0.04 0.00 -0.05 0.00 0.00 56.93 57.11 1de2 s PHE 31 Cb -0.22 0.68 0.05 0.00 -0.63 0.00 0.00 43.02 42.90 1de2 s PHE 31 CO 0.71 -1.05 0.10 -2.00 -0.05 0.00 0.00 175.22 172.93 1de2 s GLU 32 N -3.48 0.02 0.34 1.99 2.12 0.45 -4.81 118.70 115.32 1de2 s GLU 32 Ca 0.12 0.22 -0.08 0.00 0.36 0.00 0.00 54.97 55.59 1de2 s GLU 32 Cb -0.04 -1.03 -0.06 0.00 0.26 0.00 0.00 34.13 33.27 1de2 s GLU 32 CO 0.05 -0.48 0.66 0.12 -0.54 0.00 0.00 175.26 175.07 1de2 s PHE 33 N 2.19 3.47 -0.14 5.30 5.36 -1.26 -1.52 117.98 131.38 1de2 s PHE 33 Ca 0.04 0.87 -0.06 0.00 -0.96 0.00 0.00 56.93 56.82 1de2 s PHE 33 Cb -0.14 -2.29 0.07 0.00 -0.34 0.00 0.00 43.02 40.32 1de2 s PHE 33 CO -0.07 0.04 0.30 0.42 -1.46 0.00 0.00 175.22 174.45 1de2 s ILE 34 N -2.21 -0.38 -0.34 3.12 1.01 0.59 -4.82 121.20 118.17 1de2 s ILE 34 Ca 0.48 0.23 -0.29 0.00 0.00 0.00 0.00 60.65 61.07 1de2 s ILE 34 Cb -0.10 -0.49 0.00 0.00 0.01 0.00 0.00 42.46 41.88 1de2 s ILE 34 CO 0.30 0.10 1.37 0.20 0.00 0.00 0.00 174.94 176.90 1de2 s ASN 35 N 2.23 6.52 0.44 3.58 0.01 -1.26 -2.14 114.94 124.32 1de2 s ASN 35 Ca -0.02 1.09 0.16 0.00 -0.71 0.00 0.00 52.86 53.38 1de2 s ASN 35 Cb -0.12 -2.54 0.99 0.00 0.41 0.00 0.00 41.25 39.99 1de2 s ASN 35 CO -0.10 -1.23 1.96 0.16 -1.51 0.00 0.00 177.10 176.39 1de2 h ILE 36 N 6.16 1.10 -3.46 0.60 -0.00 -0.29 -3.35 117.51 118.26 1de2 h ILE 36 Ca -0.27 -0.77 -0.65 0.00 -0.00 0.00 0.00 64.86 63.16 1de2 h ILE 36 Cb 1.10 1.42 -0.40 0.00 -0.00 0.00 0.00 36.82 38.95 1de2 h ILE 36 CO 1.05 0.22 -0.60 -0.32 -0.00 0.00 0.00 178.15 178.49 1de2 s MET 37 N -4.48 1.98 0.00 0.16 0.00 -1.26 -0.54 119.30 115.17 1de2 s MET 37 Ca -0.03 -2.45 0.20 0.00 0.00 0.00 0.00 55.69 53.40 1de2 s MET 37 Cb 0.15 -3.37 1.19 0.00 0.00 0.00 0.00 34.83 32.80 1de2 s MET 37 CO 0.69 -1.09 1.76 -0.35 0.00 0.00 0.00 175.02 176.03 1de2 n PRO 38 N 3.42 0.99 -3.96 4.11 -0.04 -1.26 -4.78 135.00 133.49 1de2 n PRO 38 Ca 0.05 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.39 1de2 n PRO 38 Cb 0.35 -1.32 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.20 0.00 0.54 2.02 -1.25 -5.01 118.70 113.19 1de2 s GLU 39 Ca 0.30 -0.29 0.10 0.00 0.02 0.00 0.00 54.97 55.10 1de2 s GLU 39 Cb 0.14 -0.04 0.47 0.00 0.10 0.00 0.00 34.13 34.80 1de2 s GLU 39 CO 0.23 0.00 1.28 0.36 0.02 0.00 0.00 175.26 177.15 1de2 n LYS 40 N 2.44 0.07 -0.02 1.61 2.85 -1.26 -3.70 118.16 120.14 1de2 n LYS 40 Ca -0.17 0.27 -0.03 0.00 -1.05 0.00 0.00 58.31 57.33 1de2 n LYS 40 Cb 0.58 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.45 1de2 n LYS 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1de2 n GLY 41 N -0.44 -0.45 3.05 2.58 0.00 -1.26 -5.05 105.19 103.63 1de2 n GLY 41 Ca 0.04 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.59 0.98 1.11 1.61 1.01 -1.24 -5.15 120.40 117.13 1de2 s VAL 42 Ca -0.08 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 1de2 s VAL 42 Cb 0.01 -0.85 0.25 0.00 0.00 0.00 0.00 36.38 35.78 1de2 s VAL 42 CO 0.13 0.29 1.06 0.72 0.00 0.00 0.00 175.10 177.30 1de2 s PHE 43 N 0.05 1.57 -0.10 5.22 -0.12 -1.26 -3.95 117.98 119.39 1de2 s PHE 43 Ca -0.02 0.97 -0.30 0.00 -0.05 0.00 0.00 56.93 57.54 1de2 s PHE 43 Cb -0.08 -3.21 -0.02 0.00 -0.63 0.00 0.00 43.02 39.08 1de2 s PHE 43 CO 0.01 -3.48 1.10 0.34 -0.05 0.00 0.00 175.22 173.14 1de2 s ASP 44 N -3.14 7.14 0.16 1.98 -1.08 0.30 -4.85 116.67 117.17 1de2 s ASP 44 Ca 0.67 1.64 0.09 0.00 -0.52 0.00 0.00 52.55 54.44 1de2 s ASP 44 Cb -0.20 -2.55 -0.14 0.00 -1.46 0.00 0.00 42.92 38.56 1de2 s ASP 44 CO 0.60 -0.54 1.32 -0.78 0.52 0.00 0.00 175.17 176.29 1de2 h ASP 45 N 7.34 0.00 0.55 -0.34 3.58 -1.93 -2.74 116.42 122.88 1de2 h ASP 45 Ca -0.31 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.11 1de2 h ASP 45 Cb 1.14 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.20 1de2 h ASP 45 CO 0.88 0.87 -0.27 -0.33 -2.88 0.00 0.00 179.24 177.52 1de2 h GLU 46 N 0.00 -0.71 -0.46 0.28 5.08 -1.98 0.56 114.58 117.34 1de2 h GLU 46 Ca -0.01 0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 1de2 h GLU 46 Cb 1.67 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 31.07 1de2 h GLU 46 CO 0.11 -0.41 -0.13 0.87 -1.00 0.00 0.00 179.01 178.45 1de2 h LYS 47 N -0.94 0.86 0.00 2.33 1.79 -1.96 -2.58 116.57 116.07 1de2 h LYS 47 Ca -0.08 -0.31 -0.07 0.00 -2.18 0.00 0.00 60.65 58.01 1de2 h LYS 47 Cb 0.63 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 1de2 h LYS 47 CO 0.12 0.94 -0.33 0.82 -1.08 0.00 0.00 179.45 179.93 1de2 h ILE 48 N 0.77 0.81 -0.07 1.86 5.03 -1.47 -2.75 117.51 121.69 1de2 h ILE 48 Ca 0.12 -1.38 -0.02 0.00 -0.12 0.00 0.00 64.86 63.46 1de2 h ILE 48 Cb 0.65 1.86 -0.00 0.00 -3.03 0.00 0.00 36.82 36.30 1de2 h ILE 48 CO 0.05 0.32 -0.04 0.00 -0.68 0.00 0.00 178.15 177.80 1de2 h ALA 49 N 1.67 0.10 -0.41 1.87 0.00 0.51 -2.76 119.26 120.24 1de2 h ALA 49 Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1de2 h ALA 49 Cb 0.83 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1de2 h ALA 49 CO 0.04 -0.14 0.15 1.49 0.00 0.00 0.00 179.25 180.79 1de2 h GLU 50 N -0.25 0.59 -0.02 0.00 4.81 -1.46 -2.70 114.58 115.56 1de2 h GLU 50 Ca 0.01 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1de2 h GLU 50 Cb 0.49 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1de2 h GLU 50 CO 0.01 0.50 -0.06 1.25 -0.73 0.00 0.00 179.01 179.98 1de2 h LEU 51 N 0.58 -0.18 -0.59 1.64 6.46 -1.38 -0.43 115.31 121.42 1de2 h LEU 51 Ca 0.14 0.03 0.09 0.00 -0.12 0.00 0.00 57.88 58.02 1de2 h LEU 51 Cb 0.15 0.08 -0.07 0.00 -0.73 0.00 0.00 40.66 40.09 1de2 h LEU 51 CO -0.01 -0.09 0.22 -0.07 -0.62 0.00 0.00 178.44 177.87 1de2 h LEU 52 N -0.10 0.22 -0.72 2.25 3.38 -1.19 -0.39 115.31 118.76 1de2 h LEU 52 Ca 0.03 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1de2 h LEU 52 Cb 0.14 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1de2 h LEU 52 CO -0.08 0.14 0.42 0.74 0.09 0.00 0.00 178.44 179.75 1de2 h THR 53 N 0.40 1.21 -0.12 0.22 2.02 -1.27 -1.91 112.91 113.47 1de2 h THR 53 Ca 0.29 -0.50 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 1de2 h THR 53 Cb 0.35 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1de2 h THR 53 CO -0.29 0.23 -0.09 0.11 0.37 0.00 0.00 175.52 175.85 1de2 h LYS 54 N 0.99 0.18 -0.18 6.66 1.79 0.07 -2.01 116.57 124.08 1de2 h LYS 54 Ca 0.26 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.67 1de2 h LYS 54 Cb -0.00 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 1de2 h LYS 54 CO -0.05 0.28 -0.01 -0.07 -1.08 0.00 0.00 179.45 178.52 1de2 h LEU 55 N 0.18 0.23 0.00 2.94 3.38 -0.28 -3.45 115.31 118.30 1de2 h LEU 55 Ca 0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1de2 h LEU 55 Cb 0.27 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1de2 h LEU 55 CO 0.01 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.45 1de2 n GLY 56 N -1.15 1.47 0.00 0.83 0.00 -0.75 -5.07 105.19 100.51 1de2 n GLY 56 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.14 2.31 -0.08 1.61 5.12 -1.25 -5.02 116.66 119.22 1de2 n ARG 57 Ca 0.00 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.84 1de2 n ARG 57 Cb 0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 32.46 31.17 1de2 n ARG 57 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1de2 n ASP 58 N -0.77 1.03 -4.96 0.55 9.92 -1.26 -4.06 116.55 117.00 1de2 n ASP 58 Ca 0.00 -0.01 -0.22 0.00 -0.53 0.00 0.00 54.79 54.04 1de2 n ASP 58 Cb 0.00 0.84 0.04 0.00 -0.64 0.00 0.00 41.12 41.36 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 -2.40 2.61 -0.42 -3.53 -1.32 -1.26 -4.95 115.64 104.38 1de2 s THR 59 Ca -0.09 -0.63 -0.03 0.00 -1.21 0.00 0.00 61.69 59.72 1de2 s THR 59 Cb 0.05 -2.98 0.11 0.00 -1.51 0.00 0.00 72.50 68.17 1de2 s THR 59 CO 0.66 0.00 0.22 0.00 -2.21 0.00 0.00 174.62 173.29 1de2 s GLN 60 N -4.82 2.05 -1.09 7.08 0.00 -1.26 -5.01 119.66 116.61 1de2 s GLN 60 Ca 0.58 -1.82 -0.24 0.00 -0.00 0.00 0.00 55.36 53.88 1de2 s GLN 60 Cb -0.10 -3.62 -0.12 0.00 0.00 0.00 0.00 33.01 29.17 1de2 s GLN 60 CO 0.39 -1.09 2.02 0.42 0.00 0.00 0.00 175.29 177.04 1de2 s ILE 61 N 1.15 3.35 -1.50 3.63 1.01 -1.26 -3.69 121.20 123.90 1de2 s ILE 61 Ca 0.08 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1de2 s ILE 61 Cb -0.23 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.02 1de2 s ILE 61 CO -0.04 -0.66 0.00 0.61 0.00 0.00 0.00 174.94 174.85 1de2 n GLY 62 N 6.13 0.49 3.70 6.18 0.00 -1.26 -4.91 105.19 115.51 1de2 n GLY 62 Ca 0.43 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.12 1de2 n GLY 62 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1de2 s LEU 63 N -4.93 3.16 0.22 0.99 2.96 -1.24 -5.04 118.68 114.79 1de2 s LEU 63 Ca 0.00 2.39 -0.05 0.00 -0.22 0.00 0.00 54.13 56.25 1de2 s LEU 63 Cb 0.00 -4.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.07 1de2 s LEU 63 CO 0.00 -2.66 0.27 0.42 -1.32 0.00 0.00 176.35 173.05 1de2 s THR 64 N -2.10 0.00 0.19 3.68 -4.23 -1.26 -5.11 115.64 106.81 1de2 s THR 64 Ca 0.74 -1.77 0.10 0.00 -1.18 0.00 0.00 61.69 59.57 1de2 s THR 64 Cb -0.29 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.11 1de2 s THR 64 CO 0.50 0.00 -0.13 -0.04 -0.54 0.00 0.00 174.62 174.42 1de2 s MET 65 N -4.09 1.94 0.31 3.99 1.00 -1.26 -3.94 119.30 117.25 1de2 s MET 65 Ca 0.33 -1.36 -0.28 0.00 0.00 0.00 0.00 55.69 54.38 1de2 s MET 65 Cb 0.04 -2.07 -0.09 0.00 0.00 0.00 0.00 34.83 32.70 1de2 s MET 65 CO 0.11 0.42 1.02 -2.14 0.00 0.00 0.00 175.02 174.43 1de2 s PRO 66 N -2.87 4.56 -0.30 2.03 0.02 -1.26 -5.02 135.00 132.16 1de2 s PRO 66 Ca 0.25 1.57 -0.10 0.00 0.02 0.00 0.00 61.00 62.73 1de2 s PRO 66 Cb -0.08 -2.97 -0.02 0.00 0.02 0.00 0.00 34.50 31.44 1de2 s PRO 66 CO 0.14 0.21 0.17 -0.65 -0.33 0.00 0.00 177.00 176.54 1de2 s GLN 67 N -1.77 3.53 0.26 5.54 -1.52 0.23 -4.18 119.66 121.75 1de2 s GLN 67 Ca 0.48 -0.60 -0.06 0.00 -1.95 0.00 0.00 55.36 53.23 1de2 s GLN 67 Cb -0.25 -3.61 -0.06 0.00 -0.22 0.00 0.00 33.01 28.86 1de2 s GLN 67 CO 0.32 -0.35 0.53 0.08 -0.25 0.00 0.00 175.29 175.63 1de2 s VAL 68 N 1.67 5.01 -0.05 1.09 1.01 0.31 0.14 120.40 129.57 1de2 s VAL 68 Ca 0.06 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 1de2 s VAL 68 Cb -0.17 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.54 1de2 s VAL 68 CO 0.08 -0.21 0.13 -0.36 0.00 0.00 0.00 175.10 174.74 1de2 s PHE 69 N -1.96 -0.14 1.05 5.22 0.40 0.28 -2.69 117.98 120.14 1de2 s PHE 69 Ca 0.45 0.35 -0.14 0.00 -0.60 0.00 0.00 56.93 56.98 1de2 s PHE 69 Cb -0.11 0.05 0.14 0.00 0.51 0.00 0.00 43.02 43.60 1de2 s PHE 69 CO 0.27 -0.07 0.54 0.00 0.70 0.00 0.00 175.22 176.65 1de2 n ALA 70 N 3.02 -2.89 0.30 5.36 0.00 0.29 0.65 120.51 127.25 1de2 n ALA 70 Ca -0.13 -0.95 0.16 0.00 0.00 0.00 0.00 53.44 52.52 1de2 n ALA 70 Cb 0.59 -1.82 0.95 0.00 0.00 0.00 0.00 19.45 19.17 1de2 n ALA 70 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1de2 h PRO 71 N -2.05 0.00 0.00 0.00 0.13 -1.89 -1.66 132.00 126.53 1de2 h PRO 71 Ca -0.51 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.44 1de2 h PRO 71 Cb 1.32 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 1de2 h PRO 71 CO 0.40 0.00 -1.52 -0.25 -0.23 0.00 0.00 178.00 176.40 1de2 n ASP 72 N -3.75 0.77 0.00 1.44 8.00 -1.26 -4.20 116.55 117.54 1de2 n ASP 72 Ca -0.03 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.81 1de2 n ASP 72 Cb 0.08 0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 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 1.42 0.61 3.71 0.44 0.00 -0.62 -5.13 105.19 105.63 1de2 n GLY 73 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.61 3.97 -0.28 1.61 0.01 -1.26 -4.57 113.70 112.56 1de2 s SER 74 Ca 0.00 2.38 -0.20 0.00 1.31 0.00 0.00 55.95 59.44 1de2 s SER 74 Cb 0.00 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 1de2 s SER 74 CO 0.00 -2.41 0.61 -2.28 0.41 0.00 0.00 173.24 169.57 1de2 s HIS 75 N -2.00 3.24 -0.25 2.43 2.46 -1.26 0.11 115.29 120.01 1de2 s HIS 75 Ca 0.75 0.66 -0.14 0.00 0.47 0.00 0.00 55.06 56.80 1de2 s HIS 75 Cb -0.30 -2.91 -0.15 0.00 -0.13 0.00 0.00 32.58 29.10 1de2 s HIS 75 CO 0.47 -0.40 -0.17 -0.89 -2.47 0.00 0.00 174.74 171.28 1de2 n ILE 76 N 5.30 1.54 0.00 0.89 5.41 -1.10 -4.89 119.36 126.51 1de2 n ILE 76 Ca -0.01 -0.33 0.00 0.00 1.00 0.00 0.00 62.75 63.40 1de2 n ILE 76 Cb 0.49 -1.86 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 1.44 0.78 0.00 7.39 0.00 -1.16 -4.52 105.19 109.11 1de2 n GLY 77 Ca -0.47 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 43.64 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 1.57 0.00 -0.02 0.00 -1.26 0.11 105.19 105.59 1de2 n GLY 78 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.09 1.61 7.35 -1.26 -1.70 117.46 123.36 1de2 n PHE 79 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 1de2 n PHE 79 Cb 0.00 -0.48 -0.00 0.00 0.35 0.00 0.00 39.48 39.35 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 0.23 -0.96 -2.13 3.58 -1.98 -1.16 116.42 114.00 1de2 h ASP 80 Ca 0.00 0.01 0.20 0.00 0.42 0.00 0.00 57.03 57.67 1de2 h ASP 80 Cb 0.00 -0.03 -0.09 0.00 1.72 0.00 0.00 39.33 40.94 1de2 h ASP 80 CO 0.00 0.17 0.62 -0.61 -2.88 0.00 0.00 179.24 176.54 1de2 h GLN 81 N 0.33 0.54 -0.07 0.28 4.15 -1.91 0.15 115.11 118.58 1de2 h GLN 81 Ca 0.13 -0.03 -0.20 0.00 0.77 0.00 0.00 58.65 59.32 1de2 h GLN 81 Cb 0.05 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.61 1de2 h GLN 81 CO -0.09 0.36 -0.80 1.25 -1.93 0.00 0.00 178.83 177.62 1de2 h LEU 82 N 0.56 0.57 -1.88 -2.39 6.46 -0.40 -2.96 115.31 115.27 1de2 h LEU 82 Ca 0.53 -0.39 0.22 0.00 -0.12 0.00 0.00 57.88 58.11 1de2 h LEU 82 Cb 1.09 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.81 1de2 h LEU 82 CO -0.27 1.16 0.57 -0.09 -0.62 0.00 0.00 178.44 179.19 1de2 h ARG 83 N 0.30 0.10 -0.08 1.25 2.43 0.45 1.46 114.38 120.30 1de2 h ARG 83 Ca -0.05 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 1de2 h ARG 83 Cb 1.39 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 1de2 h ARG 83 CO 0.14 0.07 -0.41 1.49 -1.51 0.00 0.00 179.97 179.75 1de2 h GLU 84 N 0.10 0.18 0.00 0.20 4.81 -1.32 1.10 114.58 119.65 1de2 h GLU 84 Ca 0.39 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.45 1de2 h GLU 84 Cb 1.41 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.77 1de2 h GLU 84 CO -0.05 0.56 -0.44 -0.92 -0.73 0.00 0.00 179.01 177.44 1de2 h TYR 85 N 0.15 0.00 0.00 0.92 5.03 0.19 -3.01 116.97 120.25 1de2 h TYR 85 Ca 0.01 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.32 1de2 h TYR 85 Cb 0.79 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.07 1de2 h TYR 85 CO 0.01 0.44 -1.34 1.19 -1.32 0.00 0.00 178.16 177.14 1de2 n PHE 86 N -3.72 0.00 -0.36 -3.82 3.72 -0.51 -5.12 117.46 107.64 1de2 n PHE 86 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1de2 n PHE 86 Cb 0.51 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 1de2 n PHE 86 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07