#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 0.46 -3.76 1.12 3.01 -0.99 -4.11 117.46 113.19 1de2 n PHE 2 Ca 0.00 0.34 -0.24 0.00 1.01 0.00 0.00 57.45 58.56 1de2 n PHE 2 Cb 0.00 -1.95 -0.17 0.00 -0.01 0.00 0.00 39.48 37.34 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 -4.52 0.57 -0.06 -1.08 3.01 -0.90 -0.97 119.74 115.78 1de2 s LYS 3 Ca 0.66 0.03 -0.00 0.00 -1.01 0.00 0.00 55.97 55.65 1de2 s LYS 3 Cb -0.23 -1.16 -0.03 0.00 -1.01 0.00 0.00 37.83 35.40 1de2 s LYS 3 CO 0.60 -0.37 -0.03 0.08 0.51 0.00 0.00 175.35 176.14 1de2 s VAL 4 N 1.97 4.04 -0.29 3.17 1.01 -0.74 0.96 120.40 130.52 1de2 s VAL 4 Ca 0.04 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1de2 s VAL 4 Cb -0.13 -2.70 0.08 0.00 0.00 0.00 0.00 36.38 33.62 1de2 s VAL 4 CO -0.06 0.55 -0.02 -0.31 0.00 0.00 0.00 175.10 175.26 1de2 s TYR 5 N -0.90 3.23 0.00 5.22 1.51 0.50 0.16 117.35 127.07 1de2 s TYR 5 Ca 0.14 -2.47 0.00 0.00 -1.01 0.00 0.00 57.07 53.73 1de2 s TYR 5 Cb -0.11 -2.26 0.00 0.00 -0.11 0.00 0.00 41.96 39.48 1de2 s TYR 5 CO 0.04 -0.89 0.00 0.41 -1.11 0.00 0.00 175.55 174.00 1de2 n GLY 6 N 4.42 2.76 3.68 0.71 0.00 0.59 0.80 105.19 118.15 1de2 n GLY 6 Ca -0.06 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 0.42 2.91 -1.82 1.61 2.02 -1.26 0.44 117.35 121.66 1de2 s TYR 7 Ca 0.00 -0.10 0.30 0.00 -0.37 0.00 0.00 57.07 56.90 1de2 s TYR 7 Cb 0.00 -1.43 1.55 0.00 -0.40 0.00 0.00 41.96 41.68 1de2 s TYR 7 CO 0.00 0.50 2.04 -3.47 -1.57 0.00 0.00 175.55 173.06 1de2 n ASP 8 N 0.06 0.27 0.00 2.29 2.03 -1.26 -4.89 116.55 115.05 1de2 n ASP 8 Ca -0.10 -0.73 0.00 0.00 0.52 0.00 0.00 54.79 54.48 1de2 n ASP 8 Cb 0.54 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 1de2 n ASP 8 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1de2 n SER 9 N -0.94 0.00 0.07 1.67 3.41 -1.26 -4.76 113.62 111.81 1de2 n SER 9 Ca 0.19 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.67 1de2 n SER 9 Cb 0.21 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 1de2 n SER 9 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1de2 h ASN 10 N 0.00 0.49 -0.01 4.04 2.35 -1.97 -3.35 115.58 117.13 1de2 h ASN 10 Ca 0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1de2 h ASN 10 Cb 0.00 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.22 1de2 h ASN 10 CO 0.00 1.18 -0.54 -0.38 -1.65 0.00 0.00 177.43 176.04 1de2 n ILE 11 N -3.74 0.00 -3.15 2.81 2.08 -1.26 -4.93 119.36 111.17 1de2 n ILE 11 Ca -0.06 -0.23 0.05 0.00 0.56 0.00 0.00 62.75 63.07 1de2 n ILE 11 Cb 0.82 1.11 -0.01 0.00 -0.75 0.00 0.00 39.64 40.81 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 -2.24 -1.10 0.08 1.39 2.46 -1.26 -4.82 115.29 109.81 1de2 s HIS 12 Ca 0.11 1.08 -0.34 0.00 0.47 0.00 0.00 55.06 56.38 1de2 s HIS 12 Cb 0.13 0.36 -0.18 0.00 -0.13 0.00 0.00 32.58 32.76 1de2 s HIS 12 CO 0.54 -0.61 0.81 1.17 -2.47 0.00 0.00 174.74 174.18 1de2 n LYS 13 N 5.43 0.00 -3.15 2.88 4.81 -1.26 -4.07 118.16 122.79 1de2 n LYS 13 Ca -0.02 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.46 1de2 n LYS 13 Cb 0.53 -1.25 -0.01 0.00 0.02 0.00 0.00 35.03 34.32 1de2 n LYS 13 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1de2 h VAL 15 N 5.66 1.09 -0.25 0.00 -1.51 -2.00 -3.33 116.25 115.91 1de2 h VAL 15 Ca -0.18 -2.87 0.05 0.00 -1.23 0.00 0.00 66.70 62.48 1de2 h VAL 15 Cb 1.17 2.53 -0.01 0.00 -2.13 0.00 0.00 31.29 32.84 1de2 h VAL 15 CO 0.09 0.62 0.17 1.88 -1.23 0.00 0.00 177.57 179.10 1de2 h TYR 16 N 0.00 0.09 0.47 5.19 0.05 -1.98 -2.45 116.97 118.33 1de2 h TYR 16 Ca -0.19 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.57 1de2 h TYR 16 Cb 1.91 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 39.63 1de2 h TYR 16 CO 0.00 0.05 -0.22 0.00 -1.05 0.00 0.00 178.16 176.93 1de2 h ASP 18 N -0.71 0.15 0.63 0.00 3.32 -1.64 -1.46 116.42 116.70 1de2 h ASP 18 Ca -0.06 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 1de2 h ASP 18 Cb 0.52 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.06 1de2 h ASP 18 CO 0.11 0.07 -0.30 0.78 -1.72 0.00 0.00 179.24 178.17 1de2 h ASN 19 N 0.15 -0.72 -0.86 6.45 2.35 -1.19 -1.35 115.58 120.41 1de2 h ASN 19 Ca 0.34 0.01 0.11 0.00 -0.55 0.00 0.00 56.30 56.22 1de2 h ASN 19 Cb 1.13 0.19 -0.08 0.00 0.05 0.00 0.00 38.32 39.60 1de2 h ASN 19 CO -0.05 -0.33 0.49 0.00 -1.65 0.00 0.00 177.43 175.89 1de2 h ALA 20 N -1.18 1.27 0.71 -0.83 0.00 -0.94 0.40 119.26 118.69 1de2 h ALA 20 Ca -0.09 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1de2 h ALA 20 Cb 0.66 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1de2 h ALA 20 CO 0.14 0.06 -0.34 -0.22 0.00 0.00 0.00 179.25 178.89 1de2 h LYS 21 N 0.78 -0.92 -0.95 0.00 3.11 -1.31 -0.62 116.57 116.66 1de2 h LYS 21 Ca 0.43 0.06 0.07 0.00 -2.81 0.00 0.00 60.65 58.41 1de2 h LYS 21 Cb 0.47 0.21 -0.06 0.00 -1.00 0.00 0.00 32.23 31.85 1de2 h LYS 21 CO -0.28 -0.59 0.61 -0.09 -2.81 0.00 0.00 179.45 176.29 1de2 h ARG 22 N -1.06 1.03 0.21 1.90 2.43 -0.87 -0.77 114.38 117.26 1de2 h ARG 22 Ca -0.10 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1de2 h ARG 22 Cb 0.75 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1de2 h ARG 22 CO 0.16 0.68 -0.23 1.25 -1.51 0.00 0.00 179.97 180.32 1de2 h LEU 23 N 1.06 -0.63 -0.53 3.80 6.46 -0.02 0.80 115.31 126.25 1de2 h LEU 23 Ca 0.42 0.06 0.04 0.00 -0.12 0.00 0.00 57.88 58.28 1de2 h LEU 23 Cb 0.23 0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.34 1de2 h LEU 23 CO -0.17 -0.34 0.28 -0.07 -0.62 0.00 0.00 178.44 177.52 1de2 h LEU 24 N -0.49 0.40 -1.40 2.25 3.38 -0.49 0.87 115.31 119.84 1de2 h LEU 24 Ca 0.00 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1de2 h LEU 24 Cb 0.46 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1de2 h LEU 24 CO -0.07 0.28 0.45 0.74 0.09 0.00 0.00 178.44 179.93 1de2 h THR 25 N 0.53 1.06 0.02 0.22 2.02 -0.76 0.25 112.91 116.25 1de2 h THR 25 Ca 0.23 -0.26 -0.22 0.00 0.77 0.00 0.00 66.41 66.93 1de2 h THR 25 Cb 0.13 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 1de2 h THR 25 CO -0.15 0.14 -1.02 0.58 0.37 0.00 0.00 175.52 175.43 1de2 h VAL 26 N 0.76 1.69 0.00 3.16 2.07 0.58 -3.17 116.25 121.34 1de2 h VAL 26 Ca 0.28 -3.35 0.00 0.00 0.82 0.00 0.00 66.70 64.45 1de2 h VAL 26 Cb 0.16 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 1de2 h VAL 26 CO -0.09 0.96 0.00 0.50 0.02 0.00 0.00 177.57 178.97 1de2 h LYS 27 N 0.01 0.00 -3.77 1.57 1.63 0.22 -3.48 116.57 112.76 1de2 h LYS 27 Ca -0.03 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.67 1de2 h LYS 27 Cb 1.78 0.00 0.07 0.00 -0.60 0.00 0.00 32.23 33.48 1de2 h LYS 27 CO 0.14 0.00 -0.31 1.17 -3.45 0.00 0.00 179.45 177.00 1de2 n LYS 28 N -2.55 -1.28 -3.93 1.90 4.81 0.74 -5.04 118.16 112.81 1de2 n LYS 28 Ca 0.04 0.32 -0.13 0.00 -0.87 0.00 0.00 58.31 57.67 1de2 n LYS 28 Cb 0.40 -3.29 -0.14 0.00 0.02 0.00 0.00 35.03 32.01 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 -3.78 0.10 0.24 1.64 -1.52 -1.01 -5.06 119.66 110.26 1de2 s GLN 29 Ca 0.13 -0.02 -0.30 0.00 -1.95 0.00 0.00 55.36 53.21 1de2 s GLN 29 Cb -0.02 -0.12 -0.09 0.00 -0.22 0.00 0.00 33.01 32.57 1de2 s GLN 29 CO 0.28 0.01 0.93 -1.25 -0.25 0.00 0.00 175.29 175.01 1de2 s PRO 30 N 0.08 4.84 0.29 2.91 0.04 -1.26 -4.60 135.00 137.30 1de2 s PRO 30 Ca -0.01 1.47 -0.20 0.00 0.04 0.00 0.00 61.00 62.30 1de2 s PRO 30 Cb -0.02 -3.27 0.03 0.00 0.04 0.00 0.00 34.50 31.28 1de2 s PRO 30 CO -0.00 0.52 0.74 -0.59 0.04 0.00 0.00 177.00 177.70 1de2 s PHE 31 N -1.19 -0.14 -0.03 0.56 -0.71 -1.26 -2.34 117.98 112.86 1de2 s PHE 31 Ca 0.41 -0.34 -0.02 0.00 -1.04 0.00 0.00 56.93 55.94 1de2 s PHE 31 Cb -0.26 0.73 0.01 0.00 -1.21 0.00 0.00 43.02 42.29 1de2 s PHE 31 CO 0.32 -1.27 0.08 -2.00 -1.34 0.00 0.00 175.22 171.00 1de2 s GLU 32 N -3.67 0.08 0.44 1.99 2.12 -0.15 -4.85 118.70 114.66 1de2 s GLU 32 Ca 0.12 0.15 -0.04 0.00 0.36 0.00 0.00 54.97 55.56 1de2 s GLU 32 Cb -0.06 -0.01 -0.04 0.00 0.26 0.00 0.00 34.13 34.28 1de2 s GLU 32 CO 0.07 -0.04 0.71 0.12 -0.54 0.00 0.00 175.26 175.58 1de2 s PHE 33 N 0.28 3.54 -0.10 5.30 5.36 -1.26 -1.78 117.98 129.32 1de2 s PHE 33 Ca -0.02 0.68 -0.04 0.00 -0.96 0.00 0.00 56.93 56.60 1de2 s PHE 33 Cb -0.03 -2.18 0.05 0.00 -0.34 0.00 0.00 43.02 40.52 1de2 s PHE 33 CO -0.01 -0.15 0.17 0.42 -1.46 0.00 0.00 175.22 174.19 1de2 s ILE 34 N -2.60 -0.27 0.13 3.12 1.01 0.43 -4.79 121.20 118.24 1de2 s ILE 34 Ca 0.45 0.31 -0.29 0.00 0.00 0.00 0.00 60.65 61.12 1de2 s ILE 34 Cb -0.10 -0.34 -0.06 0.00 0.01 0.00 0.00 42.46 41.97 1de2 s ILE 34 CO 0.42 0.11 0.93 0.54 0.00 0.00 0.00 174.94 176.94 1de2 s ASN 35 N 2.30 7.50 0.03 3.58 2.20 -1.26 -0.30 114.94 128.99 1de2 s ASN 35 Ca 0.03 1.78 0.22 0.00 -0.94 0.00 0.00 52.86 53.96 1de2 s ASN 35 Cb -0.12 -2.58 -0.18 0.00 -2.00 0.00 0.00 41.25 36.37 1de2 s ASN 35 CO -0.06 0.00 0.76 2.30 -2.94 0.00 0.00 177.10 177.15 1de2 n ILE 36 N 2.47 0.14 -3.67 0.54 -5.35 0.17 -4.73 119.36 108.93 1de2 n ILE 36 Ca 0.01 -0.38 -0.29 0.00 -0.27 0.00 0.00 62.75 61.81 1de2 n ILE 36 Cb 0.49 0.13 -0.13 0.00 -1.74 0.00 0.00 39.64 38.39 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 -3.35 1.14 0.00 6.28 0.00 -1.26 -1.77 119.30 120.34 1de2 s MET 37 Ca -0.02 -1.85 0.17 0.00 0.00 0.00 0.00 55.69 53.99 1de2 s MET 37 Cb 0.14 -2.16 0.90 0.00 0.00 0.00 0.00 34.83 33.71 1de2 s MET 37 CO 0.86 -1.16 1.49 -2.30 0.00 0.00 0.00 175.02 173.91 1de2 n PRO 38 N 3.69 0.32 -3.93 4.11 -0.02 -1.26 -4.72 135.00 133.18 1de2 n PRO 38 Ca 0.09 0.10 -0.11 0.00 -2.02 0.00 0.00 63.50 61.55 1de2 n PRO 38 Cb 0.35 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.20 1de2 n PRO 38 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1de2 s GLU 39 N -2.43 0.16 0.00 -0.52 -6.30 -1.25 -5.01 118.70 103.34 1de2 s GLU 39 Ca 0.19 -0.27 0.12 0.00 -2.50 0.00 0.00 54.97 52.51 1de2 s GLU 39 Cb 0.12 0.01 0.54 0.00 0.00 0.00 0.00 34.13 34.80 1de2 s GLU 39 CO 0.25 -0.01 1.35 1.17 0.02 0.00 0.00 175.26 178.03 1de2 n LYS 40 N 2.46 0.06 -0.08 4.30 4.81 -1.26 -3.30 118.16 125.15 1de2 n LYS 40 Ca -0.17 0.25 -0.09 0.00 -0.87 0.00 0.00 58.31 57.43 1de2 n LYS 40 Cb 0.58 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 34.09 1de2 n LYS 40 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1de2 n GLY 41 N -0.27 -0.82 2.99 3.14 0.00 -1.26 -5.02 105.19 103.94 1de2 n GLY 41 Ca 0.04 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.42 0.01 0.89 1.61 1.01 -1.21 -5.16 120.40 115.13 1de2 s VAL 42 Ca -0.21 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 1de2 s VAL 42 Cb 0.04 -0.17 0.13 0.00 0.00 0.00 0.00 36.38 36.37 1de2 s VAL 42 CO 0.33 -0.04 1.11 0.72 0.00 0.00 0.00 175.10 177.22 1de2 s PHE 43 N -0.08 2.48 -0.56 5.22 -0.12 -1.26 -3.84 117.98 119.82 1de2 s PHE 43 Ca -0.01 1.06 -0.21 0.00 -0.05 0.00 0.00 56.93 57.72 1de2 s PHE 43 Cb -0.01 -3.23 0.07 0.00 -0.63 0.00 0.00 43.02 39.21 1de2 s PHE 43 CO 0.00 -2.30 0.78 0.16 -0.05 0.00 0.00 175.22 173.81 1de2 s ASP 44 N -3.74 6.23 0.60 1.98 1.47 -0.73 -4.88 116.67 117.61 1de2 s ASP 44 Ca 0.63 -0.90 0.29 0.00 1.18 0.00 0.00 52.55 53.75 1de2 s ASP 44 Cb -0.16 -2.35 1.57 0.00 -0.34 0.00 0.00 42.92 41.64 1de2 s ASP 44 CO 0.55 -1.12 1.97 0.44 0.68 0.00 0.00 175.17 177.69 1de2 h ASP 45 N 9.21 0.00 -0.16 2.11 5.19 -1.94 -1.74 116.42 129.09 1de2 h ASP 45 Ca -0.28 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.17 1de2 h ASP 45 Cb 1.08 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.56 1de2 h ASP 45 CO 1.06 0.00 -0.05 -0.08 -3.12 0.00 0.00 179.24 177.05 1de2 h GLU 46 N 0.00 -0.02 0.00 3.56 4.81 -1.95 0.56 114.58 121.53 1de2 h GLU 46 Ca 0.13 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.18 1de2 h GLU 46 Cb 0.87 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 1de2 h GLU 46 CO -0.00 -0.01 -0.85 0.87 -0.73 0.00 0.00 179.01 178.29 1de2 h LYS 47 N -0.02 0.15 -0.19 1.92 1.79 -1.69 -2.83 116.57 115.70 1de2 h LYS 47 Ca 0.08 -0.16 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 1de2 h LYS 47 Cb 0.14 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1de2 h LYS 47 CO -0.18 0.91 0.04 0.82 -1.08 0.00 0.00 179.45 179.96 1de2 h ILE 48 N 0.08 1.22 0.49 1.86 1.08 -0.98 -0.51 117.51 120.75 1de2 h ILE 48 Ca -0.03 -0.71 -0.02 0.00 -0.39 0.00 0.00 64.86 63.70 1de2 h ILE 48 Cb 1.47 1.32 0.00 0.00 -3.07 0.00 0.00 36.82 36.55 1de2 h ILE 48 CO 0.12 0.22 -0.24 0.00 -0.69 0.00 0.00 178.15 177.57 1de2 h ALA 49 N 0.84 -0.66 -0.46 1.87 0.00 0.05 -2.38 119.26 118.52 1de2 h ALA 49 Ca 0.06 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1de2 h ALA 49 Cb 0.30 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1de2 h ALA 49 CO 0.00 -0.77 0.32 1.05 0.00 0.00 0.00 179.25 179.85 1de2 h GLU 50 N -0.86 0.22 0.80 0.00 4.11 -1.55 -2.37 114.58 114.93 1de2 h GLU 50 Ca -0.07 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.31 1de2 h GLU 50 Cb 0.58 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.79 1de2 h GLU 50 CO 0.11 0.14 -0.38 1.25 0.07 0.00 0.00 179.01 180.20 1de2 h LEU 51 N 0.23 -0.91 -0.98 3.06 5.85 -0.86 -0.71 115.31 120.98 1de2 h LEU 51 Ca 0.21 0.02 0.32 0.00 0.84 0.00 0.00 57.88 59.27 1de2 h LEU 51 Cb 0.55 0.24 -0.15 0.00 0.37 0.00 0.00 40.66 41.66 1de2 h LEU 51 CO -0.04 -0.61 0.50 -0.07 -0.34 0.00 0.00 178.44 177.87 1de2 h LEU 52 N -1.14 0.38 -0.63 2.25 3.38 -0.91 1.22 115.31 119.86 1de2 h LEU 52 Ca -0.11 0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1de2 h LEU 52 Cb 0.83 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1de2 h LEU 52 CO 0.18 -0.19 -0.47 0.74 0.09 0.00 0.00 178.44 178.79 1de2 h THR 53 N 0.25 1.31 -0.81 0.22 2.02 -1.29 -3.06 112.91 111.56 1de2 h THR 53 Ca 0.72 -1.67 0.01 0.00 0.77 0.00 0.00 66.41 66.23 1de2 h THR 53 Cb 1.65 1.66 -0.04 0.00 -1.74 0.00 0.00 68.15 69.69 1de2 h THR 53 CO -0.65 0.52 0.53 0.50 0.37 0.00 0.00 175.52 176.79 1de2 h LYS 54 N 0.42 1.08 0.02 6.66 3.64 0.30 -3.24 116.57 125.45 1de2 h LYS 54 Ca 0.02 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1de2 h LYS 54 Cb 0.98 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1de2 h LYS 54 CO 0.09 0.72 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.91 1de2 h LEU 55 N 1.10 -0.03 0.00 5.20 4.07 -1.18 -3.41 115.31 121.06 1de2 h LEU 55 Ca 0.30 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.26 1de2 h LEU 55 Cb -0.11 0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.64 1de2 h LEU 55 CO -0.06 -0.02 0.00 0.61 -1.08 0.00 0.00 178.44 177.89 1de2 n GLY 56 N -1.02 1.11 2.04 0.83 0.00 -1.20 -4.61 105.19 102.34 1de2 n GLY 56 Ca -0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 0.87 -0.10 1.61 1.74 -1.25 -5.00 116.66 114.53 1de2 n ARG 57 Ca 0.00 -1.69 -0.11 0.00 -0.77 0.00 0.00 57.85 55.28 1de2 n ARG 57 Cb 0.00 -0.04 -0.14 0.00 -1.02 0.00 0.00 32.46 31.26 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 -2.44 0.76 -4.91 0.55 9.92 -1.26 -4.22 116.55 114.95 1de2 n ASP 58 Ca 0.06 -0.02 -0.20 0.00 -0.53 0.00 0.00 54.79 54.09 1de2 n ASP 58 Cb 0.32 0.70 -0.02 0.00 -0.64 0.00 0.00 41.12 41.48 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 -2.45 2.71 -0.32 -3.53 -1.32 -1.26 -4.94 115.64 104.53 1de2 s THR 59 Ca -0.13 -1.27 0.03 0.00 -1.21 0.00 0.00 61.69 59.11 1de2 s THR 59 Cb 0.06 -2.98 0.09 0.00 -1.51 0.00 0.00 72.50 68.16 1de2 s THR 59 CO 0.72 0.00 0.04 0.00 -2.21 0.00 0.00 174.62 173.17 1de2 s GLN 60 N -4.19 1.40 -1.13 7.08 -2.07 -1.26 -5.05 119.66 114.44 1de2 s GLN 60 Ca 0.50 -1.62 -0.21 0.00 -1.82 0.00 0.00 55.36 52.21 1de2 s GLN 60 Cb -0.05 -2.90 0.06 0.00 -1.09 0.00 0.00 33.01 29.03 1de2 s GLN 60 CO 0.29 -0.90 1.57 0.96 -1.32 0.00 0.00 175.29 175.89 1de2 s ILE 61 N 1.09 4.01 -1.54 3.63 -4.36 -1.26 -4.02 121.20 118.75 1de2 s ILE 61 Ca 0.08 -1.24 0.00 0.00 -0.26 0.00 0.00 60.65 59.23 1de2 s ILE 61 Cb -0.19 -5.12 0.00 0.00 1.25 0.00 0.00 42.46 38.41 1de2 s ILE 61 CO -0.11 -1.97 0.00 0.61 0.24 0.00 0.00 174.94 173.71 1de2 n GLY 62 N 6.27 0.22 3.19 6.27 0.00 -1.26 -4.96 105.19 114.92 1de2 n GLY 62 Ca 0.39 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1de2 n GLY 62 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1de2 n LEU 63 N -2.29 -2.30 -3.95 0.99 -0.00 -1.26 -5.04 117.00 103.15 1de2 n LEU 63 Ca -0.19 -0.16 -0.09 0.00 -0.00 0.00 0.00 56.01 55.57 1de2 n LEU 63 Cb 0.63 -0.85 -0.09 0.00 -0.00 0.00 0.00 43.42 43.11 1de2 n LEU 63 CO 0.24 -3.00 -0.23 0.42 -0.00 0.00 0.00 177.39 174.81 1de2 s THR 64 N -2.17 0.15 0.15 1.47 -4.23 -1.26 -5.16 115.64 104.59 1de2 s THR 64 Ca 0.50 -1.26 0.08 0.00 -1.18 0.00 0.00 61.69 59.82 1de2 s THR 64 Cb -0.07 -1.08 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 1de2 s THR 64 CO 0.61 -0.70 -0.17 -0.04 -0.54 0.00 0.00 174.62 173.78 1de2 s MET 65 N -3.07 1.19 0.49 3.99 -1.94 -1.26 -4.13 119.30 114.57 1de2 s MET 65 Ca -0.01 -1.34 -0.20 0.00 -1.71 0.00 0.00 55.69 52.43 1de2 s MET 65 Cb 0.02 -1.21 -0.08 0.00 2.01 0.00 0.00 34.83 35.56 1de2 s MET 65 CO -0.07 0.24 1.03 -2.14 -0.01 0.00 0.00 175.02 174.08 1de2 s PRO 66 N -2.69 3.82 -0.24 2.03 0.02 -1.26 -4.95 135.00 131.72 1de2 s PRO 66 Ca 0.13 1.32 -0.09 0.00 0.02 0.00 0.00 61.00 62.38 1de2 s PRO 66 Cb -0.06 -2.10 -0.04 0.00 0.02 0.00 0.00 34.50 32.32 1de2 s PRO 66 CO 0.05 -0.41 0.12 -0.65 -0.33 0.00 0.00 177.00 175.79 1de2 s GLN 67 N -3.29 3.89 0.42 5.54 -0.21 0.24 -4.35 119.66 121.91 1de2 s GLN 67 Ca 0.66 -0.36 0.04 0.00 0.02 0.00 0.00 55.36 55.73 1de2 s GLN 67 Cb -0.15 -3.44 0.00 0.00 1.00 0.00 0.00 33.01 30.42 1de2 s GLN 67 CO 0.20 -0.04 0.59 0.08 -2.12 0.00 0.00 175.29 174.01 1de2 s VAL 68 N 1.28 3.62 -0.03 1.09 1.01 0.05 0.19 120.40 127.60 1de2 s VAL 68 Ca 0.06 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 1de2 s VAL 68 Cb -0.14 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 32.96 1de2 s VAL 68 CO 0.05 -0.15 0.09 -0.36 0.00 0.00 0.00 175.10 174.73 1de2 s PHE 69 N -2.41 -0.07 0.23 5.22 0.08 0.27 -2.52 117.98 118.78 1de2 s PHE 69 Ca 0.50 0.18 -0.31 0.00 0.12 0.00 0.00 56.93 57.42 1de2 s PHE 69 Cb -0.10 0.02 -0.14 0.00 -0.57 0.00 0.00 43.02 42.23 1de2 s PHE 69 CO 0.35 -0.07 1.35 0.00 -0.10 0.00 0.00 175.22 176.74 1de2 n ALA 70 N 2.88 0.71 -0.25 5.36 0.00 0.10 -2.13 120.51 127.18 1de2 n ALA 70 Ca -0.13 0.42 0.33 0.00 0.00 0.00 0.00 53.44 54.05 1de2 n ALA 70 Cb 0.59 -2.22 0.68 0.00 0.00 0.00 0.00 19.45 18.50 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 3.94 0.00 0.00 0.00 0.11 -1.90 -3.03 132.00 131.12 1de2 h PRO 71 Ca -0.45 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.54 1de2 h PRO 71 Cb 1.29 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.29 1de2 h PRO 71 CO 0.74 0.00 -0.20 -0.40 -0.21 0.00 0.00 178.00 177.93 1de2 n ASP 72 N -3.78 -1.03 0.00 -2.05 5.68 -1.26 -3.38 116.55 110.73 1de2 n ASP 72 Ca 0.23 -1.84 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 1de2 n ASP 72 Cb 1.29 0.47 0.00 0.00 -1.14 0.00 0.00 41.12 41.74 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 -1.00 2.69 3.30 6.12 0.00 -1.15 -5.17 105.19 109.99 1de2 n GLY 73 Ca -0.14 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 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 1.00 1.57 -0.08 1.61 0.01 -1.26 -4.81 113.70 111.74 1de2 s SER 74 Ca 0.00 -1.68 -0.36 0.00 1.31 0.00 0.00 55.95 55.22 1de2 s SER 74 Cb 0.00 0.51 -0.13 0.00 0.21 0.00 0.00 66.02 66.61 1de2 s SER 74 CO 0.00 -1.00 1.77 1.57 0.41 0.00 0.00 173.24 175.99 1de2 n HIS 75 N -0.60 2.20 0.03 2.43 -0.00 -1.26 -0.72 115.22 117.30 1de2 n HIS 75 Ca 0.05 0.20 -0.21 0.00 0.46 0.00 0.00 57.72 58.21 1de2 n HIS 75 Cb 0.63 -2.58 -0.14 0.00 -0.12 0.00 0.00 29.99 27.78 1de2 n HIS 75 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 1de2 h ILE 76 N 4.98 1.19 0.00 3.57 2.04 -1.81 -3.46 117.51 124.02 1de2 h ILE 76 Ca -0.47 -2.46 0.00 0.00 1.00 0.00 0.00 64.86 62.92 1de2 h ILE 76 Cb 1.28 2.88 0.00 0.00 -0.74 0.00 0.00 36.82 40.25 1de2 h ILE 76 CO 0.93 0.72 0.00 0.61 0.00 0.00 0.00 178.15 180.41 1de2 n GLY 77 N 1.72 0.43 0.00 5.37 0.00 -1.23 -4.66 105.19 106.82 1de2 n GLY 77 Ca -0.21 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 43.91 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 0.08 0.42 -0.02 0.00 -1.26 -0.77 105.19 103.64 1de2 n GLY 78 Ca 0.00 -1.73 -0.18 0.00 0.00 0.00 0.00 46.02 44.10 1de2 n GLY 78 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1de2 h PHE 79 N 0.00 -0.95 -0.73 1.61 3.57 -1.93 -2.15 116.94 116.36 1de2 h PHE 79 Ca 0.00 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.58 1de2 h PHE 79 Cb 0.00 0.31 -0.08 0.00 2.79 0.00 0.00 35.95 38.98 1de2 h PHE 79 CO 0.00 -0.58 0.35 0.22 -2.23 0.00 0.00 178.31 176.07 1de2 h ASP 80 N -1.07 0.44 -0.49 0.41 3.58 -1.98 0.56 116.42 117.88 1de2 h ASP 80 Ca -0.10 0.07 0.08 0.00 0.42 0.00 0.00 57.03 57.49 1de2 h ASP 80 Cb 0.80 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.82 1de2 h ASP 80 CO 0.17 0.24 0.33 1.56 -2.88 0.00 0.00 179.24 178.66 1de2 h GLN 81 N 0.58 0.32 -0.07 0.28 1.08 -1.84 -2.23 115.11 113.23 1de2 h GLN 81 Ca 0.37 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.50 1de2 h GLN 81 Cb 0.43 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1de2 h GLN 81 CO -0.30 0.21 -0.14 1.25 -0.95 0.00 0.00 178.83 178.90 1de2 h LEU 82 N 0.33 0.25 -1.98 1.46 5.85 -0.22 -2.51 115.31 118.49 1de2 h LEU 82 Ca 0.22 -0.57 0.22 0.00 0.84 0.00 0.00 57.88 58.60 1de2 h LEU 82 Cb 0.44 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1de2 h LEU 82 CO -0.05 0.77 0.56 -0.09 -0.34 0.00 0.00 178.44 179.29 1de2 h ARG 83 N -0.26 0.01 -0.03 1.25 2.43 -0.83 1.18 114.38 118.15 1de2 h ARG 83 Ca 0.00 -0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.98 1de2 h ARG 83 Cb 0.73 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1de2 h ARG 83 CO 0.03 0.01 -0.81 0.93 -1.51 0.00 0.00 179.97 178.62 1de2 h GLU 84 N 0.01 0.27 -0.14 0.20 5.08 -1.34 0.88 114.58 119.55 1de2 h GLU 84 Ca 0.37 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1de2 h GLU 84 Cb 1.46 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1de2 h GLU 84 CO -0.01 0.95 -0.28 -0.92 -1.00 0.00 0.00 179.01 177.75 1de2 h TYR 85 N 0.17 0.29 0.00 4.33 5.03 0.17 -3.35 116.97 123.61 1de2 h TYR 85 Ca -0.04 -0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.21 1de2 h TYR 85 Cb 1.41 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 39.61 1de2 h TYR 85 CO 0.04 0.52 0.00 1.19 -1.32 0.00 0.00 178.16 178.58 1de2 n PHE 86 N -4.14 0.00 -0.50 -3.82 3.72 0.25 -5.10 117.46 107.88 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 0.38 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 1de2 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34