#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de1 s PHE 2 N 0.00 3.31 -0.21 1.12 0.40 -0.92 -3.23 117.98 118.44 1de1 s PHE 2 Ca 0.00 1.65 -0.04 0.00 -0.60 0.00 0.00 56.93 57.94 1de1 s PHE 2 Cb 0.00 -3.00 -0.01 0.00 0.51 0.00 0.00 43.02 40.52 1de1 s PHE 2 CO 0.00 -0.37 -0.04 0.15 0.70 0.00 0.00 175.22 175.66 1de1 s LYS 3 N -2.74 3.41 -0.19 0.44 3.01 -0.60 0.59 119.74 123.66 1de1 s LYS 3 Ca 0.59 -0.61 -0.08 0.00 -1.01 0.00 0.00 55.97 54.86 1de1 s LYS 3 Cb -0.17 -3.01 -0.04 0.00 -1.01 0.00 0.00 37.83 33.60 1de1 s LYS 3 CO 0.21 -0.15 0.07 0.08 0.51 0.00 0.00 175.35 176.07 1de1 s VAL 4 N 1.38 4.83 -0.50 3.17 1.01 -0.93 0.10 120.40 129.46 1de1 s VAL 4 Ca 0.05 -0.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.91 1de1 s VAL 4 Cb -0.14 -3.19 0.13 0.00 0.00 0.00 0.00 36.38 33.17 1de1 s VAL 4 CO -0.02 0.45 0.39 -0.31 0.00 0.00 0.00 175.10 175.60 1de1 s TYR 5 N 0.46 3.41 0.00 5.22 1.51 0.44 -0.99 117.35 127.40 1de1 s TYR 5 Ca 0.04 -1.81 0.00 0.00 -1.01 0.00 0.00 57.07 54.28 1de1 s TYR 5 Cb -0.12 -3.55 0.00 0.00 -0.11 0.00 0.00 41.96 38.17 1de1 s TYR 5 CO 0.00 -1.00 0.00 0.41 -1.11 0.00 0.00 175.55 173.86 1de1 n GLY 6 N 4.89 3.29 3.44 0.71 0.00 -0.79 0.11 105.19 116.84 1de1 n GLY 6 Ca -0.08 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1de1 n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1de1 s TYR 7 N 0.41 2.54 -1.08 1.61 2.02 -1.26 -2.26 117.35 119.32 1de1 s TYR 7 Ca 0.00 -0.27 0.19 0.00 -0.37 0.00 0.00 57.07 56.62 1de1 s TYR 7 Cb 0.00 -1.48 0.85 0.00 -0.40 0.00 0.00 41.96 40.93 1de1 s TYR 7 CO 0.00 0.22 1.61 -3.47 -1.57 0.00 0.00 175.55 172.34 1de1 n ASP 8 N 1.69 0.00 0.00 2.29 2.03 -1.26 -4.84 116.55 116.46 1de1 n ASP 8 Ca -0.16 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1de1 n ASP 8 Cb 0.52 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 1de1 n ASP 8 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1de1 n SER 9 N -1.46 0.00 0.02 1.67 2.88 -1.23 -4.82 113.62 110.68 1de1 n SER 9 Ca 0.06 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.50 1de1 n SER 9 Cb 0.21 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.54 1de1 n SER 9 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1de1 h ASN 10 N 0.00 0.08 0.00 -3.46 4.21 -1.94 -3.39 115.58 111.07 1de1 h ASN 10 Ca 0.00 -0.11 -0.39 0.00 1.21 0.00 0.00 56.30 57.01 1de1 h ASN 10 Cb 0.00 -0.02 -0.07 0.00 -1.12 0.00 0.00 38.32 37.11 1de1 h ASN 10 CO 0.00 1.09 -2.47 -0.38 -1.29 0.00 0.00 177.43 174.39 1de1 n ILE 11 N -3.24 1.47 -4.30 2.81 -0.00 -1.26 -5.05 119.36 109.79 1de1 n ILE 11 Ca -0.11 -0.62 -0.20 0.00 -0.00 0.00 0.00 62.75 61.83 1de1 n ILE 11 Cb 1.01 -1.26 -0.08 0.00 -0.00 0.00 0.00 39.64 39.30 1de1 n ILE 11 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 1de1 s HIS 12 N -2.52 1.78 0.92 1.39 2.46 -1.26 -4.96 115.29 113.10 1de1 s HIS 12 Ca -0.31 -1.65 -0.12 0.00 0.47 0.00 0.00 55.06 53.45 1de1 s HIS 12 Cb 0.09 -0.75 0.14 0.00 -0.13 0.00 0.00 32.58 31.93 1de1 s HIS 12 CO 0.64 -0.85 1.09 -1.59 -2.47 0.00 0.00 174.74 171.57 1de1 s LYS 13 N -3.44 1.08 -0.33 2.88 -2.85 -1.26 -3.53 119.74 112.29 1de1 s LYS 13 Ca 0.40 0.73 -0.03 0.00 -1.00 0.00 0.00 55.97 56.06 1de1 s LYS 13 Cb 0.02 -1.80 0.27 0.00 -2.06 0.00 0.00 37.83 34.26 1de1 s LYS 13 CO 0.27 -2.34 1.22 0.00 0.10 0.00 0.00 175.35 174.61 1de1 n VAL 15 N 1.66 0.70 0.16 0.00 0.24 -1.26 -3.94 118.33 115.89 1de1 n VAL 15 Ca 0.03 -0.57 0.06 0.00 -2.04 0.00 0.00 64.34 61.81 1de1 n VAL 15 Cb 0.70 -0.39 0.07 0.00 -1.47 0.00 0.00 33.84 32.74 1de1 n VAL 15 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1de1 h TYR 16 N 0.00 0.00 0.05 6.34 0.05 -1.95 -3.31 116.97 118.15 1de1 h TYR 16 Ca -0.03 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.60 1de1 h TYR 16 Cb 1.11 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.87 1de1 h TYR 16 CO 0.00 0.31 -0.60 0.00 -1.05 0.00 0.00 178.16 176.82 1de1 h ASP 18 N -0.31 0.31 0.34 0.00 3.32 -1.68 0.51 116.42 118.91 1de1 h ASP 18 Ca -0.09 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 1de1 h ASP 18 Cb 1.38 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.92 1de1 h ASP 18 CO 0.12 0.10 -0.16 0.78 -1.72 0.00 0.00 179.24 178.35 1de1 h ASN 19 N 0.30 -0.39 -0.91 6.45 -0.26 -1.65 -2.91 115.58 116.22 1de1 h ASN 19 Ca 0.50 -0.01 0.11 0.00 -0.56 0.00 0.00 56.30 56.35 1de1 h ASN 19 Cb 1.43 0.10 -0.08 0.00 -1.06 0.00 0.00 38.32 38.71 1de1 h ASN 19 CO -0.16 0.06 0.54 0.00 -1.06 0.00 0.00 177.43 176.80 1de1 h ALA 20 N -1.08 1.35 -0.29 -0.83 0.00 -1.20 -0.61 119.26 116.58 1de1 h ALA 20 Ca -0.05 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1de1 h ALA 20 Cb 0.37 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1de1 h ALA 20 CO 0.08 0.13 -0.05 -0.22 0.00 0.00 0.00 179.25 179.19 1de1 h LYS 21 N 0.86 0.03 -0.10 0.00 3.64 -0.09 -0.11 116.57 120.79 1de1 h LYS 21 Ca 0.45 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.78 1de1 h LYS 21 Cb 0.46 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1de1 h LYS 21 CO -0.27 0.02 -0.17 -0.09 -2.27 0.00 0.00 179.45 176.66 1de1 h ARG 22 N 0.03 0.16 -0.09 1.90 9.65 -1.09 -2.77 114.38 122.18 1de1 h ARG 22 Ca 0.14 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 59.01 1de1 h ARG 22 Cb 0.21 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.73 1de1 h ARG 22 CO -0.28 0.34 -0.09 1.25 2.80 0.00 0.00 179.97 183.99 1de1 h LEU 23 N 0.16 -0.29 0.20 3.80 6.46 0.46 -0.50 115.31 125.60 1de1 h LEU 23 Ca 0.03 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1de1 h LEU 23 Cb 0.40 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1de1 h LEU 23 CO 0.03 -0.13 -0.09 -0.07 -0.62 0.00 0.00 178.44 177.55 1de1 h LEU 24 N -0.12 -0.22 -1.11 2.25 3.38 -1.13 -2.00 115.31 116.36 1de1 h LEU 24 Ca 0.07 0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.24 1de1 h LEU 24 Cb 0.21 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.92 1de1 h LEU 24 CO -0.16 -0.16 0.62 0.74 0.09 0.00 0.00 178.44 179.56 1de1 h THR 25 N -0.27 0.68 -0.09 0.22 2.02 -1.24 0.56 112.91 114.80 1de1 h THR 25 Ca -0.03 -0.23 -0.08 0.00 0.77 0.00 0.00 66.41 66.84 1de1 h THR 25 Cb 0.20 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.55 1de1 h THR 25 CO 0.04 0.12 -0.30 0.58 0.37 0.00 0.00 175.52 176.34 1de1 h VAL 26 N 0.68 1.25 -0.00 3.16 2.07 -0.58 -2.13 116.25 120.69 1de1 h VAL 26 Ca 0.57 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1de1 h VAL 26 Cb 1.00 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1de1 h VAL 26 CO -0.35 0.35 -0.30 0.29 0.02 0.00 0.00 177.57 177.58 1de1 n LYS 27 N -4.14 0.11 -2.59 1.57 4.01 0.17 -4.96 118.16 112.34 1de1 n LYS 27 Ca -0.01 -0.05 -0.08 0.00 -0.51 0.00 0.00 58.31 57.66 1de1 n LYS 27 Cb 0.38 -1.50 0.04 0.00 -0.51 0.00 0.00 35.03 33.44 1de1 n LYS 27 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1de1 n LYS 28 N -1.40 -2.64 -4.50 1.97 4.01 0.49 -5.06 118.16 111.04 1de1 n LYS 28 Ca 0.07 0.40 -0.22 0.00 -0.51 0.00 0.00 58.31 58.06 1de1 n LYS 28 Cb 0.33 -3.96 -0.16 0.00 -0.51 0.00 0.00 35.03 30.74 1de1 n LYS 28 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1de1 s GLN 29 N -4.41 1.14 0.55 1.97 -1.52 -1.03 -5.02 119.66 111.33 1de1 s GLN 29 Ca 0.05 -0.38 -0.13 0.00 -1.95 0.00 0.00 55.36 52.95 1de1 s GLN 29 Cb -0.01 -1.04 -0.06 0.00 -0.22 0.00 0.00 33.01 31.68 1de1 s GLN 29 CO 0.34 0.15 0.97 -1.25 -0.25 0.00 0.00 175.29 175.26 1de1 s PRO 30 N 0.12 3.77 0.27 2.91 0.04 -1.26 -4.32 135.00 136.52 1de1 s PRO 30 Ca -0.03 0.78 -0.21 0.00 0.04 0.00 0.00 61.00 61.59 1de1 s PRO 30 Cb -0.09 -2.15 0.03 0.00 0.04 0.00 0.00 34.50 32.34 1de1 s PRO 30 CO 0.01 -0.37 0.78 -0.59 0.04 0.00 0.00 177.00 176.87 1de1 s PHE 31 N -2.84 -0.13 -0.03 0.56 -0.71 -1.26 -2.16 117.98 111.41 1de1 s PHE 31 Ca 0.56 -0.32 0.02 0.00 -1.04 0.00 0.00 56.93 56.14 1de1 s PHE 31 Cb -0.10 0.71 0.01 0.00 -1.21 0.00 0.00 43.02 42.43 1de1 s PHE 31 CO 0.41 -1.19 -0.06 -2.00 -1.34 0.00 0.00 175.22 171.04 1de1 s GLU 32 N -3.55 0.77 0.34 1.99 2.56 0.20 -4.80 118.70 116.21 1de1 s GLU 32 Ca 0.12 -0.20 -0.08 0.00 0.00 0.00 0.00 54.97 54.81 1de1 s GLU 32 Cb -0.05 -0.75 -0.06 0.00 2.00 0.00 0.00 34.13 35.27 1de1 s GLU 32 CO 0.07 0.04 0.65 0.12 -0.56 0.00 0.00 175.26 175.58 1de1 s PHE 33 N 0.38 3.47 -0.13 5.30 5.36 -1.26 -2.20 117.98 128.91 1de1 s PHE 33 Ca -0.05 0.84 -0.05 0.00 -0.96 0.00 0.00 56.93 56.71 1de1 s PHE 33 Cb -0.09 -2.27 0.06 0.00 -0.34 0.00 0.00 43.02 40.38 1de1 s PHE 33 CO 0.00 0.05 0.25 0.42 -1.46 0.00 0.00 175.22 174.48 1de1 s ILE 34 N -2.21 -0.39 -0.15 3.12 1.01 -0.16 -4.86 121.20 117.55 1de1 s ILE 34 Ca 0.47 0.27 -0.08 0.00 0.00 0.00 0.00 60.65 61.31 1de1 s ILE 34 Cb -0.11 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 1de1 s ILE 34 CO 0.30 0.10 0.13 0.54 0.00 0.00 0.00 174.94 176.02 1de1 s ASN 35 N 2.40 6.29 -0.22 3.58 2.20 -1.26 -1.89 114.94 126.03 1de1 s ASN 35 Ca 0.02 0.36 0.12 0.00 -0.94 0.00 0.00 52.86 52.42 1de1 s ASN 35 Cb -0.12 -2.07 0.74 0.00 -2.00 0.00 0.00 41.25 37.80 1de1 s ASN 35 CO -0.08 0.31 1.64 2.30 -2.94 0.00 0.00 177.10 178.32 1de1 n ILE 36 N 2.65 2.52 -3.11 0.54 -5.35 -0.96 -4.53 119.36 111.13 1de1 n ILE 36 Ca -0.18 -1.28 -0.21 0.00 -0.27 0.00 0.00 62.75 60.81 1de1 n ILE 36 Cb 0.54 -0.31 -0.05 0.00 -1.74 0.00 0.00 39.64 38.08 1de1 n ILE 36 CO 0.00 0.00 0.00 0.80 -1.76 0.00 0.00 176.55 175.59 1de1 n MET 37 N 0.50 0.68 -0.63 6.28 0.00 -1.26 0.16 117.12 122.85 1de1 n MET 37 Ca 0.26 -2.90 -0.11 0.00 0.00 0.00 0.00 57.70 54.95 1de1 n MET 37 Cb 1.13 -1.30 0.05 0.00 0.00 0.00 0.00 33.22 33.10 1de1 n MET 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1de1 n PRO 38 N 1.59 1.56 -4.21 2.12 -0.04 -1.25 -4.79 135.00 129.98 1de1 n PRO 38 Ca 0.19 -1.22 -0.13 0.00 -0.04 0.00 0.00 63.50 62.30 1de1 n PRO 38 Cb 0.55 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 1de1 n PRO 38 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1de1 s GLU 39 N -1.38 1.24 0.00 0.54 2.12 -1.26 -5.01 118.70 114.95 1de1 s GLU 39 Ca 0.24 -1.65 0.05 0.00 0.36 0.00 0.00 54.97 53.96 1de1 s GLU 39 Cb 0.19 0.25 0.22 0.00 0.26 0.00 0.00 34.13 35.05 1de1 s GLU 39 CO 0.02 -0.40 1.07 0.36 -0.54 0.00 0.00 175.26 175.77 1de1 n LYS 40 N -0.30 0.04 0.00 4.30 -0.00 -1.26 -4.14 118.16 116.80 1de1 n LYS 40 Ca 0.02 0.33 0.00 0.00 -0.00 0.00 0.00 58.31 58.66 1de1 n LYS 40 Cb 0.66 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.19 1de1 n LYS 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1de1 n GLY 41 N -0.94 -0.94 3.21 2.58 0.00 -1.26 -5.08 105.19 102.75 1de1 n GLY 41 Ca 0.02 0.36 -0.11 0.00 0.00 0.00 0.00 46.02 46.28 1de1 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1de1 s VAL 42 N 0.00 -0.02 0.76 1.61 1.01 -1.26 -5.16 120.40 117.34 1de1 s VAL 42 Ca 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.96 1de1 s VAL 42 Cb 0.00 -0.54 0.05 0.00 0.00 0.00 0.00 36.38 35.90 1de1 s VAL 42 CO 0.00 0.04 1.08 -0.36 0.00 0.00 0.00 175.10 175.86 1de1 s PHE 43 N 1.16 2.68 -0.87 5.22 0.40 -1.26 -3.94 117.98 121.37 1de1 s PHE 43 Ca -0.08 1.50 -0.15 0.00 -0.60 0.00 0.00 56.93 57.60 1de1 s PHE 43 Cb -0.08 -3.02 0.20 0.00 0.51 0.00 0.00 43.02 40.64 1de1 s PHE 43 CO -0.09 -1.71 0.88 0.34 0.70 0.00 0.00 175.22 175.33 1de1 s ASP 44 N -3.49 6.78 0.66 1.36 2.15 0.41 -4.88 116.67 119.66 1de1 s ASP 44 Ca 0.61 -2.62 0.38 0.00 0.43 0.00 0.00 52.55 51.35 1de1 s ASP 44 Cb -0.16 -2.25 2.11 0.00 -0.30 0.00 0.00 42.92 42.31 1de1 s ASP 44 CO 0.56 -0.66 2.22 0.44 -0.17 0.00 0.00 175.17 177.56 1de1 h ASP 45 N 7.92 0.00 0.73 -0.34 5.19 -1.94 -0.72 116.42 127.26 1de1 h ASP 45 Ca 0.13 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.50 1de1 h ASP 45 Cb 1.02 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.54 1de1 h ASP 45 CO 0.85 0.00 -0.35 -0.08 -3.12 0.00 0.00 179.24 176.54 1de1 h GLU 46 N 0.00 -0.95 -0.27 3.56 4.81 -1.98 -1.32 114.58 118.43 1de1 h GLU 46 Ca 0.01 0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.14 1de1 h GLU 46 Cb 0.24 0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1de1 h GLU 46 CO -0.00 -0.62 -0.48 0.87 -0.73 0.00 0.00 179.01 178.06 1de1 h LYS 47 N -1.20 0.80 -0.76 1.92 1.79 -1.90 -3.01 116.57 114.21 1de1 h LYS 47 Ca -0.10 -0.50 0.14 0.00 -2.18 0.00 0.00 60.65 58.01 1de1 h LYS 47 Cb 0.77 0.05 -0.09 0.00 -1.58 0.00 0.00 32.23 31.39 1de1 h LYS 47 CO 0.17 1.13 0.32 0.82 -1.08 0.00 0.00 179.45 180.81 1de1 h ILE 48 N 0.56 0.69 0.54 1.86 2.04 -1.20 0.92 117.51 122.92 1de1 h ILE 48 Ca 0.02 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1de1 h ILE 48 Cb 1.08 0.16 0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1de1 h ILE 48 CO 0.11 0.09 -0.26 0.00 0.00 0.00 0.00 178.15 178.09 1de1 h ALA 49 N 1.53 -0.73 -0.18 1.87 0.00 -1.19 -2.41 119.26 118.15 1de1 h ALA 49 Ca 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1de1 h ALA 49 Cb 0.60 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1de1 h ALA 49 CO -0.38 -0.87 0.08 1.49 0.00 0.00 0.00 179.25 179.57 1de1 h GLU 50 N -0.81 0.24 0.06 0.00 4.81 -1.25 -2.56 114.58 115.07 1de1 h GLU 50 Ca -0.07 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1de1 h GLU 50 Cb 0.59 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1de1 h GLU 50 CO 0.12 0.20 -0.18 1.25 -0.73 0.00 0.00 179.01 179.67 1de1 h LEU 51 N 0.24 -0.52 -0.44 1.64 6.46 0.12 0.58 115.31 123.39 1de1 h LEU 51 Ca 0.06 0.07 0.08 0.00 -0.12 0.00 0.00 57.88 57.97 1de1 h LEU 51 Cb 0.04 0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 40.11 1de1 h LEU 51 CO -0.01 -0.25 0.01 -0.07 -0.62 0.00 0.00 178.44 177.50 1de1 h LEU 52 N -0.33 -0.17 -0.48 2.25 3.38 -1.03 0.32 115.31 119.27 1de1 h LEU 52 Ca 0.04 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1de1 h LEU 52 Cb 0.37 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1de1 h LEU 52 CO -0.13 -0.05 0.23 0.74 0.09 0.00 0.00 178.44 179.32 1de1 h THR 53 N 0.12 1.19 -0.92 0.22 2.02 -1.29 -2.18 112.91 112.07 1de1 h THR 53 Ca 0.22 -0.52 0.01 0.00 0.77 0.00 0.00 66.41 66.89 1de1 h THR 53 Cb 0.32 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 1de1 h THR 53 CO -0.36 0.21 0.61 0.11 0.37 0.00 0.00 175.52 176.45 1de1 h LYS 54 N 0.63 1.20 0.38 6.66 1.79 0.13 -2.75 116.57 124.60 1de1 h LYS 54 Ca 0.16 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.54 1de1 h LYS 54 Cb 0.11 -0.27 0.00 0.00 -1.58 0.00 0.00 32.23 30.50 1de1 h LYS 54 CO -0.02 0.79 -0.19 -0.07 -1.08 0.00 0.00 179.45 178.88 1de1 h LEU 55 N 1.23 -0.47 0.00 2.94 3.38 0.05 -3.45 115.31 119.00 1de1 h LEU 55 Ca 0.34 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1de1 h LEU 55 Cb -0.12 0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1de1 h LEU 55 CO -0.08 -0.32 0.00 0.61 0.09 0.00 0.00 178.44 178.74 1de1 n GLY 56 N -1.32 -0.93 0.98 0.83 0.00 -0.86 -4.98 105.19 98.91 1de1 n GLY 56 Ca -0.11 0.65 -0.01 0.00 0.00 0.00 0.00 46.02 46.55 1de1 n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1de1 n ARG 57 N 0.00 0.00 0.00 1.61 1.74 -1.26 -4.56 116.66 114.19 1de1 n ARG 57 Ca 0.00 -1.13 0.00 0.00 -0.77 0.00 0.00 57.85 55.95 1de1 n ARG 57 Cb 0.00 0.09 0.00 0.00 -1.02 0.00 0.00 32.46 31.53 1de1 n ARG 57 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1de1 n ASP 58 N 0.16 0.14 -4.61 0.55 8.00 -1.26 -5.13 116.55 114.40 1de1 n ASP 58 Ca -0.08 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.15 1de1 n ASP 58 Cb 0.80 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.80 1de1 n ASP 58 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1de1 s THR 59 N 1.84 1.89 -0.76 -3.53 -1.32 -1.26 -4.92 115.64 107.58 1de1 s THR 59 Ca 0.00 -2.00 -0.25 0.00 -1.21 0.00 0.00 61.69 58.23 1de1 s THR 59 Cb 0.00 -2.95 0.05 0.00 -1.51 0.00 0.00 72.50 68.08 1de1 s THR 59 CO 0.00 0.00 1.21 0.00 -2.21 0.00 0.00 174.62 173.62 1de1 s GLN 60 N -3.73 3.24 -1.10 7.08 -2.07 -1.26 -4.94 119.66 116.87 1de1 s GLN 60 Ca 0.34 -0.57 -0.22 0.00 -1.82 0.00 0.00 55.36 53.10 1de1 s GLN 60 Cb 0.10 -4.37 0.06 0.00 -1.09 0.00 0.00 33.01 27.70 1de1 s GLN 60 CO 0.17 -2.05 1.53 -1.50 -1.32 0.00 0.00 175.29 172.12 1de1 s ILE 61 N 5.08 3.98 -1.57 3.63 -1.16 -1.26 -4.10 121.20 125.81 1de1 s ILE 61 Ca 0.33 -1.09 0.00 0.00 -0.51 0.00 0.00 60.65 59.38 1de1 s ILE 61 Cb -0.09 -5.10 0.00 0.00 0.61 0.00 0.00 42.46 37.88 1de1 s ILE 61 CO 0.10 -1.96 0.00 0.61 -2.81 0.00 0.00 174.94 170.88 1de1 n GLY 62 N 6.46 -0.08 3.61 1.50 0.00 -1.26 -4.89 105.19 110.53 1de1 n GLY 62 Ca 0.37 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.98 1de1 n GLY 62 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1de1 n LEU 63 N -2.78 2.66 -4.67 0.99 -0.00 -1.26 -5.00 117.00 106.94 1de1 n LEU 63 Ca -0.20 1.04 -0.24 0.00 -0.00 0.00 0.00 56.01 56.61 1de1 n LEU 63 Cb 0.64 -1.36 -0.07 0.00 -0.00 0.00 0.00 43.42 42.63 1de1 n LEU 63 CO 0.25 -1.43 -0.31 0.42 -0.00 0.00 0.00 177.39 176.31 1de1 s THR 64 N -1.26 3.64 0.16 1.96 -4.23 -1.26 -5.14 115.64 109.51 1de1 s THR 64 Ca 0.63 -1.69 0.09 0.00 -1.18 0.00 0.00 61.69 59.53 1de1 s THR 64 Cb -0.56 -2.91 -0.04 0.00 1.34 0.00 0.00 72.50 70.33 1de1 s THR 64 CO 0.57 -0.28 -0.12 -0.04 -0.54 0.00 0.00 174.62 174.21 1de1 s MET 65 N -3.44 1.98 0.53 3.99 1.00 -1.26 -4.18 119.30 117.91 1de1 s MET 65 Ca 0.30 -1.24 -0.14 0.00 0.00 0.00 0.00 55.69 54.61 1de1 s MET 65 Cb -0.08 -2.15 -0.07 0.00 0.00 0.00 0.00 34.83 32.54 1de1 s MET 65 CO 0.20 0.45 0.96 -2.14 0.00 0.00 0.00 175.02 174.49 1de1 s PRO 66 N -2.61 3.82 -0.25 2.03 0.02 -1.26 -4.87 135.00 131.87 1de1 s PRO 66 Ca 0.23 0.81 -0.03 0.00 0.02 0.00 0.00 61.00 62.03 1de1 s PRO 66 Cb -0.09 -2.16 0.02 0.00 0.02 0.00 0.00 34.50 32.28 1de1 s PRO 66 CO 0.14 -0.31 -0.03 -0.65 -0.33 0.00 0.00 177.00 175.81 1de1 s GLN 67 N -4.35 2.97 0.55 5.54 -0.21 0.30 -4.09 119.66 120.38 1de1 s GLN 67 Ca 0.56 -0.90 -0.05 0.00 0.02 0.00 0.00 55.36 55.00 1de1 s GLN 67 Cb -0.10 -3.07 0.00 0.00 1.00 0.00 0.00 33.01 30.84 1de1 s GLN 67 CO 0.38 -0.38 0.85 0.08 -2.12 0.00 0.00 175.29 174.10 1de1 s VAL 68 N 1.38 3.85 -0.03 1.09 1.01 0.29 0.17 120.40 128.16 1de1 s VAL 68 Ca 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 1de1 s VAL 68 Cb -0.16 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1de1 s VAL 68 CO -0.03 -0.49 0.08 -0.36 0.00 0.00 0.00 175.10 174.31 1de1 s PHE 69 N -2.89 -0.08 0.19 5.22 0.08 0.29 -2.68 117.98 118.11 1de1 s PHE 69 Ca 0.52 0.20 -0.33 0.00 0.12 0.00 0.00 56.93 57.44 1de1 s PHE 69 Cb -0.10 0.02 -0.14 0.00 -0.57 0.00 0.00 43.02 42.23 1de1 s PHE 69 CO 0.44 -0.05 1.42 0.00 -0.10 0.00 0.00 175.22 176.93 1de1 n ALA 70 N 2.96 0.73 0.24 5.36 0.00 0.83 -1.55 120.51 129.07 1de1 n ALA 70 Ca -0.13 0.44 0.17 0.00 0.00 0.00 0.00 53.44 53.92 1de1 n ALA 70 Cb 0.59 -2.24 0.79 0.00 0.00 0.00 0.00 19.45 18.59 1de1 n ALA 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1de1 h PRO 71 N 4.66 0.00 0.00 0.00 0.11 -1.88 -3.06 132.00 131.82 1de1 h PRO 71 Ca -0.45 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 1de1 h PRO 71 Cb 1.28 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.25 1de1 h PRO 71 CO 0.79 0.00 -0.26 -0.25 -0.21 0.00 0.00 178.00 178.07 1de1 n ASP 72 N -3.23 -1.39 0.00 -2.05 8.00 -1.26 -4.74 116.55 111.88 1de1 n ASP 72 Ca 0.02 -2.16 0.00 0.00 0.71 0.00 0.00 54.79 53.36 1de1 n ASP 72 Cb 0.47 0.65 0.00 0.00 -0.02 0.00 0.00 41.12 42.22 1de1 n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1de1 n GLY 73 N -1.45 2.70 3.30 0.44 0.00 -1.16 -5.19 105.19 103.84 1de1 n GLY 73 Ca -0.17 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 1de1 n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1de1 s SER 74 N 1.21 1.68 0.10 1.61 1.04 -1.26 -4.81 113.70 113.27 1de1 s SER 74 Ca 0.00 -1.72 -0.34 0.00 0.48 0.00 0.00 55.95 54.37 1de1 s SER 74 Cb 0.00 0.54 -0.13 0.00 0.10 0.00 0.00 66.02 66.53 1de1 s SER 74 CO 0.00 -1.03 1.68 1.57 0.98 0.00 0.00 173.24 176.44 1de1 n HIS 75 N -0.63 2.34 -0.10 5.02 -0.00 -1.26 -0.12 115.22 120.47 1de1 n HIS 75 Ca 0.06 0.15 -0.23 0.00 0.46 0.00 0.00 57.72 58.16 1de1 n HIS 75 Cb 0.63 -2.60 -0.12 0.00 -0.12 0.00 0.00 29.99 27.79 1de1 n HIS 75 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1de1 n ILE 76 N 3.99 1.57 0.00 3.57 5.41 -1.09 -4.82 119.36 127.98 1de1 n ILE 76 Ca 0.18 -0.43 0.00 0.00 1.00 0.00 0.00 62.75 63.51 1de1 n ILE 76 Cb 0.30 -1.75 0.00 0.00 -0.71 0.00 0.00 39.64 37.48 1de1 n ILE 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1de1 n GLY 77 N 1.74 0.81 0.00 7.39 0.00 -1.19 -4.53 105.19 109.40 1de1 n GLY 77 Ca -0.43 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.62 1de1 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1de1 n GLY 78 N 0.00 1.43 0.24 -0.02 0.00 -1.26 0.10 105.19 105.69 1de1 n GLY 78 Ca 0.00 -1.58 -0.08 0.00 0.00 0.00 0.00 46.02 44.36 1de1 n GLY 78 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1de1 h PHE 79 N 0.00 -0.50 -0.30 1.61 3.57 -1.87 -1.50 116.94 117.95 1de1 h PHE 79 Ca 0.00 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1de1 h PHE 79 Cb 0.00 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 1de1 h PHE 79 CO 0.00 -0.31 0.08 0.22 -2.23 0.00 0.00 178.31 176.07 1de1 h ASP 80 N -1.03 0.06 -0.52 0.41 3.58 -1.97 0.19 116.42 117.14 1de1 h ASP 80 Ca -0.06 0.04 0.05 0.00 0.42 0.00 0.00 57.03 57.48 1de1 h ASP 80 Cb 0.41 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.46 1de1 h ASP 80 CO 0.09 0.07 0.26 1.56 -2.88 0.00 0.00 179.24 178.34 1de1 h GLN 81 N 0.20 0.49 -0.50 0.28 7.50 -1.90 -2.36 115.11 118.81 1de1 h GLN 81 Ca 0.14 -0.03 -0.09 0.00 0.50 0.00 0.00 58.65 59.17 1de1 h GLN 81 Cb 0.13 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 27.53 1de1 h GLN 81 CO -0.16 0.32 -0.02 1.25 -1.50 0.00 0.00 178.83 178.72 1de1 h LEU 82 N 0.50 0.89 -1.83 1.46 5.85 -0.75 -2.28 115.31 119.15 1de1 h LEU 82 Ca 0.23 -0.32 0.23 0.00 0.84 0.00 0.00 57.88 58.86 1de1 h LEU 82 Cb 0.15 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1de1 h LEU 82 CO -0.17 0.99 0.60 -0.09 -0.34 0.00 0.00 178.44 179.43 1de1 h ARG 83 N 0.77 0.13 -0.15 1.25 2.43 -0.12 1.25 114.38 119.94 1de1 h ARG 83 Ca 0.14 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.13 1de1 h ARG 83 Cb 0.55 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1de1 h ARG 83 CO 0.03 0.09 -0.61 0.93 -1.51 0.00 0.00 179.97 178.90 1de1 h GLU 84 N 0.13 0.50 -0.30 0.20 4.39 -1.03 0.84 114.58 119.32 1de1 h GLU 84 Ca 0.42 -0.34 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 1de1 h GLU 84 Cb 1.45 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 30.14 1de1 h GLU 84 CO -0.06 0.96 0.01 -0.92 -1.16 0.00 0.00 179.01 177.83 1de1 h TYR 85 N 0.37 0.46 0.00 4.33 5.03 0.18 -2.42 116.97 124.92 1de1 h TYR 85 Ca -0.01 -0.04 -0.20 0.00 2.58 0.00 0.00 58.73 61.07 1de1 h TYR 85 Cb 1.16 -0.14 -0.03 0.00 1.55 0.00 0.00 36.73 39.27 1de1 h TYR 85 CO 0.05 0.46 -1.35 0.74 -1.32 0.00 0.00 178.16 176.73 1de1 h PHE 86 N 0.44 0.00 0.00 -3.82 0.04 -0.62 -3.51 116.94 109.47 1de1 h PHE 86 Ca 0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1de1 h PHE 86 Cb 0.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1de1 h PHE 86 CO 0.01 0.73 0.00 0.36 -0.60 0.00 0.00 178.31 178.81