#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 3.26 -0.05 1.12 0.40 -0.55 -2.60 117.98 119.57 1de1 s PHE 2 Ca 0.00 1.40 -0.02 0.00 -0.60 0.00 0.00 56.93 57.72 1de1 s PHE 2 Cb 0.00 -2.85 0.03 0.00 0.51 0.00 0.00 43.02 40.71 1de1 s PHE 2 CO 0.00 -0.99 0.04 0.15 0.70 0.00 0.00 175.22 175.12 1de1 s LYS 3 N -4.85 0.10 -0.15 0.44 3.01 -0.40 -0.84 119.74 117.05 1de1 s LYS 3 Ca 0.58 0.30 -0.06 0.00 -1.01 0.00 0.00 55.97 55.78 1de1 s LYS 3 Cb -0.13 -0.61 -0.04 0.00 -1.01 0.00 0.00 37.83 36.04 1de1 s LYS 3 CO 0.50 -0.31 0.04 0.08 0.51 0.00 0.00 175.35 176.17 1de1 s VAL 4 N 2.05 4.63 -0.47 3.17 1.01 -0.94 0.11 120.40 129.97 1de1 s VAL 4 Ca 0.04 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 1de1 s VAL 4 Cb -0.12 -3.04 0.12 0.00 0.00 0.00 0.00 36.38 33.34 1de1 s VAL 4 CO -0.03 0.51 0.31 -0.31 0.00 0.00 0.00 175.10 175.58 1de1 s TYR 5 N -0.03 3.49 0.00 5.22 1.51 0.49 0.09 117.35 128.12 1de1 s TYR 5 Ca 0.05 -2.13 0.00 0.00 -1.01 0.00 0.00 57.07 53.98 1de1 s TYR 5 Cb -0.12 -3.39 0.00 0.00 -0.11 0.00 0.00 41.96 38.34 1de1 s TYR 5 CO 0.01 -0.98 0.00 0.41 -1.11 0.00 0.00 175.55 173.88 1de1 n GLY 6 N 4.69 3.46 3.58 0.71 0.00 -0.63 0.83 105.19 117.83 1de1 n GLY 6 Ca -0.04 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 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 0.29 2.53 0.00 1.61 2.02 -1.26 -2.78 117.35 119.77 1de1 s TYR 7 Ca 0.00 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.43 1de1 s TYR 7 Cb 0.00 -1.12 0.00 0.00 -0.40 0.00 0.00 41.96 40.44 1de1 s TYR 7 CO 0.00 0.66 0.00 -0.25 -1.57 0.00 0.00 175.55 174.39 1de1 n ASP 8 N -0.79 0.00 0.00 2.29 8.00 -1.26 -4.94 116.55 119.85 1de1 n ASP 8 Ca -0.06 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1de1 n ASP 8 Cb 0.59 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 1de1 n ASP 8 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1de1 n SER 9 N -1.66 0.00 0.15 -2.24 3.41 -1.25 -4.88 113.62 107.15 1de1 n SER 9 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1de1 n SER 9 Cb 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 1de1 n SER 9 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1de1 h ASN 10 N 0.00 0.00 0.08 4.04 2.35 -1.99 -3.37 115.58 116.69 1de1 h ASN 10 Ca 0.00 -0.01 -0.37 0.00 -0.55 0.00 0.00 56.30 55.37 1de1 h ASN 10 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 1de1 h ASN 10 CO 0.00 0.00 -2.22 -0.38 -1.65 0.00 0.00 177.43 173.19 1de1 n ILE 11 N -2.81 1.62 -4.02 2.81 5.41 -1.26 -4.99 119.36 116.12 1de1 n ILE 11 Ca 0.02 -0.64 -0.11 0.00 1.00 0.00 0.00 62.75 63.02 1de1 n ILE 11 Cb 0.53 -1.48 -0.04 0.00 -0.71 0.00 0.00 39.64 37.95 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 -2.54 0.62 0.58 1.39 5.04 -1.26 -4.41 115.29 114.72 1de1 s HIS 12 Ca -0.26 -0.97 -0.13 0.00 -1.54 0.00 0.00 55.06 52.16 1de1 s HIS 12 Cb 0.08 0.13 -0.05 0.00 0.04 0.00 0.00 32.58 32.78 1de1 s HIS 12 CO 0.70 -1.10 1.01 -1.59 -2.34 0.00 0.00 174.74 171.43 1de1 s LYS 13 N -3.48 3.70 -0.40 2.88 -2.85 -1.26 -3.84 119.74 114.50 1de1 s LYS 13 Ca 0.25 0.85 0.02 0.00 -1.00 0.00 0.00 55.97 56.09 1de1 s LYS 13 Cb -0.01 -2.10 0.19 0.00 -2.06 0.00 0.00 37.83 33.85 1de1 s LYS 13 CO 0.14 -0.48 0.81 0.00 0.10 0.00 0.00 175.35 175.92 1de1 n VAL 15 N 3.79 1.73 0.51 0.00 0.24 -1.26 -4.10 118.33 119.24 1de1 n VAL 15 Ca 0.11 -0.54 0.13 0.00 -2.04 0.00 0.00 64.34 62.00 1de1 n VAL 15 Cb 0.59 -1.79 0.40 0.00 -1.47 0.00 0.00 33.84 31.58 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 -0.14 0.00 0.03 6.34 -1.99 -2.00 -3.30 116.97 115.92 1de1 h TYR 16 Ca -0.42 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.31 1de1 h TYR 16 Cb 1.90 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.63 1de1 h TYR 16 CO 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 178.16 178.22 1de1 h ASP 18 N -0.57 0.07 0.03 0.00 1.82 -1.71 -1.83 116.42 114.23 1de1 h ASP 18 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1de1 h ASP 18 Cb 0.53 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.52 1de1 h ASP 18 CO 0.01 0.04 -0.02 0.78 -1.61 0.00 0.00 179.24 178.44 1de1 h ASN 19 N 0.07 -0.04 -0.43 2.28 2.35 -1.65 -2.03 115.58 116.13 1de1 h ASN 19 Ca 0.21 -0.50 0.05 0.00 -0.55 0.00 0.00 56.30 55.51 1de1 h ASN 19 Cb 0.74 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 39.07 1de1 h ASN 19 CO -0.02 0.49 0.17 0.00 -1.65 0.00 0.00 177.43 176.43 1de1 h ALA 20 N 0.36 0.52 0.34 -0.83 0.00 -1.05 0.26 119.26 118.87 1de1 h ALA 20 Ca -0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1de1 h ALA 20 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1de1 h ALA 20 CO 0.01 -0.21 -0.17 -0.22 0.00 0.00 0.00 179.25 178.66 1de1 h LYS 21 N 0.36 -0.45 -0.58 0.00 3.64 -1.41 -1.87 116.57 116.25 1de1 h LYS 21 Ca 0.20 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.63 1de1 h LYS 21 Cb 0.16 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1de1 h LYS 21 CO -0.18 -0.30 0.38 -0.09 -2.27 0.00 0.00 179.45 176.99 1de1 h ARG 22 N -0.47 0.70 0.22 1.90 1.12 -1.09 -2.28 114.38 114.49 1de1 h ARG 22 Ca -0.05 -0.04 -0.00 0.00 -1.11 0.00 0.00 59.98 58.78 1de1 h ARG 22 Cb 0.36 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.15 1de1 h ARG 22 CO 0.07 0.46 -0.18 1.25 -3.11 0.00 0.00 179.97 178.47 1de1 h LEU 23 N 0.72 -0.47 -0.55 3.80 6.46 -0.03 -1.40 115.31 123.84 1de1 h LEU 23 Ca 0.23 0.04 0.07 0.00 -0.12 0.00 0.00 57.88 58.09 1de1 h LEU 23 Cb 0.02 0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.04 1de1 h LEU 23 CO -0.06 -0.28 0.25 -0.07 -0.62 0.00 0.00 178.44 177.66 1de1 h LEU 24 N -0.42 0.31 -1.48 2.25 3.38 -0.90 0.31 115.31 118.77 1de1 h LEU 24 Ca -0.01 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.10 1de1 h LEU 24 Cb 0.37 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1de1 h LEU 24 CO -0.02 0.20 0.46 0.74 0.09 0.00 0.00 178.44 179.92 1de1 h THR 25 N 0.46 0.93 0.01 0.22 2.02 -1.11 0.42 112.91 115.87 1de1 h THR 25 Ca 0.26 -0.20 -0.20 0.00 0.77 0.00 0.00 66.41 67.04 1de1 h THR 25 Cb 0.24 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1de1 h THR 25 CO -0.22 0.11 -0.92 0.58 0.37 0.00 0.00 175.52 175.43 1de1 h VAL 26 N 0.59 1.63 0.00 3.16 2.07 0.11 -3.16 116.25 120.65 1de1 h VAL 26 Ca 0.32 -3.06 0.00 0.00 0.82 0.00 0.00 66.70 64.78 1de1 h VAL 26 Cb 0.47 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 1de1 h VAL 26 CO -0.11 0.88 0.00 0.11 0.02 0.00 0.00 177.57 178.47 1de1 h LYS 27 N 0.02 0.00 -3.75 1.57 1.79 0.17 -3.48 116.57 112.89 1de1 h LYS 27 Ca -0.02 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.40 1de1 h LYS 27 Cb 1.62 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 32.31 1de1 h LYS 27 CO 0.12 0.00 -0.17 1.17 -1.08 0.00 0.00 179.45 179.50 1de1 n LYS 28 N -3.00 -0.59 -3.84 3.15 4.81 0.13 -5.06 118.16 113.77 1de1 n LYS 28 Ca 0.04 0.47 -0.12 0.00 -0.87 0.00 0.00 58.31 57.83 1de1 n LYS 28 Cb 0.50 -2.84 -0.13 0.00 0.02 0.00 0.00 35.03 32.58 1de1 n LYS 28 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1de1 s GLN 29 N -3.27 0.09 0.19 1.64 -1.52 -1.13 -5.06 119.66 110.61 1de1 s GLN 29 Ca 0.09 0.13 -0.30 0.00 -1.95 0.00 0.00 55.36 53.33 1de1 s GLN 29 Cb -0.01 0.03 -0.08 0.00 -0.22 0.00 0.00 33.01 32.73 1de1 s GLN 29 CO 0.23 -0.02 1.13 -1.25 -0.25 0.00 0.00 175.29 175.12 1de1 s PRO 30 N 0.12 4.57 0.28 2.91 0.04 -1.26 -4.66 135.00 137.00 1de1 s PRO 30 Ca -0.01 1.77 -0.19 0.00 0.04 0.00 0.00 61.00 62.62 1de1 s PRO 30 Cb -0.01 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.29 1de1 s PRO 30 CO -0.00 0.05 0.68 -0.59 0.04 0.00 0.00 177.00 177.17 1de1 s PHE 31 N -0.30 -0.05 -0.02 0.56 -0.12 -1.26 -1.48 117.98 115.30 1de1 s PHE 31 Ca 0.50 -0.40 -0.09 0.00 -0.05 0.00 0.00 56.93 56.89 1de1 s PHE 31 Cb -0.31 0.61 0.01 0.00 -0.63 0.00 0.00 43.02 42.71 1de1 s PHE 31 CO 0.36 -1.21 0.19 -2.00 -0.05 0.00 0.00 175.22 172.51 1de1 s GLU 32 N -3.83 0.45 0.41 1.99 2.12 -0.02 -4.85 118.70 114.98 1de1 s GLU 32 Ca 0.14 -0.16 -0.04 0.00 0.36 0.00 0.00 54.97 55.26 1de1 s GLU 32 Cb -0.05 0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.50 1de1 s GLU 32 CO 0.08 -0.10 0.69 0.12 -0.54 0.00 0.00 175.26 175.51 1de1 s PHE 33 N -0.94 3.52 -0.13 5.30 5.36 -1.26 -2.22 117.98 127.61 1de1 s PHE 33 Ca -0.10 0.71 -0.05 0.00 -0.96 0.00 0.00 56.93 56.52 1de1 s PHE 33 Cb -0.05 -2.19 0.06 0.00 -0.34 0.00 0.00 43.02 40.49 1de1 s PHE 33 CO 0.02 -0.10 0.27 0.42 -1.46 0.00 0.00 175.22 174.37 1de1 s ILE 34 N -2.50 -0.37 -0.22 3.12 1.01 0.11 -4.82 121.20 117.53 1de1 s ILE 34 Ca 0.46 0.25 -0.18 0.00 0.00 0.00 0.00 60.65 61.17 1de1 s ILE 34 Cb -0.10 -0.45 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 1de1 s ILE 34 CO 0.39 0.11 0.52 0.21 0.00 0.00 0.00 174.94 176.17 1de1 s ASN 35 N 2.24 6.53 0.15 3.58 2.47 -1.26 -1.61 114.94 127.04 1de1 s ASN 35 Ca -0.01 0.63 0.19 0.00 0.42 0.00 0.00 52.86 54.10 1de1 s ASN 35 Cb -0.12 -2.29 -0.05 0.00 -1.45 0.00 0.00 41.25 37.34 1de1 s ASN 35 CO -0.09 -0.22 0.98 0.16 -3.72 0.00 0.00 177.10 174.22 1de1 h ILE 36 N 5.21 0.31 -3.48 -5.21 -0.00 -1.87 -3.42 117.51 109.05 1de1 h ILE 36 Ca -0.32 -1.58 -0.65 0.00 -0.00 0.00 0.00 64.86 62.31 1de1 h ILE 36 Cb 1.15 1.85 -0.40 0.00 -0.00 0.00 0.00 36.82 39.41 1de1 h ILE 36 CO 0.73 0.17 -0.63 -0.32 -0.00 0.00 0.00 178.15 178.11 1de1 s MET 37 N -3.11 1.89 0.00 0.16 0.00 -1.26 -0.77 119.30 116.21 1de1 s MET 37 Ca -0.01 -2.40 0.24 0.00 0.00 0.00 0.00 55.69 53.52 1de1 s MET 37 Cb 0.09 -3.33 1.46 0.00 0.00 0.00 0.00 34.83 33.05 1de1 s MET 37 CO 0.79 -1.07 1.84 -0.35 0.00 0.00 0.00 175.02 176.23 1de1 n PRO 38 N 3.48 0.81 -3.94 4.11 -0.04 -1.26 -4.73 135.00 133.42 1de1 n PRO 38 Ca 0.05 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.38 1de1 n PRO 38 Cb 0.35 -1.47 -0.14 0.00 -0.04 0.00 0.00 33.50 32.20 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 -2.00 0.12 0.00 0.54 2.12 -1.25 -5.01 118.70 113.22 1de1 s GLU 39 Ca 0.37 -0.09 0.05 0.00 0.36 0.00 0.00 54.97 55.66 1de1 s GLU 39 Cb 0.17 -0.08 0.23 0.00 0.26 0.00 0.00 34.13 34.71 1de1 s GLU 39 CO 0.28 0.02 1.14 0.36 -0.54 0.00 0.00 175.26 176.52 1de1 n LYS 40 N 2.93 0.01 -0.03 4.30 0.00 -1.26 -3.46 118.16 120.65 1de1 n LYS 40 Ca -0.13 0.38 -0.02 0.00 -0.00 0.00 0.00 58.31 58.53 1de1 n LYS 40 Cb 0.59 -1.50 -0.01 0.00 -0.00 0.00 0.00 35.03 34.11 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 -0.53 3.10 2.58 0.00 -1.26 -5.03 105.19 103.10 1de1 n GLY 41 Ca 0.01 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.53 1.15 0.97 1.61 1.01 -1.23 -5.15 120.40 117.24 1de1 s VAL 42 Ca -0.08 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 1de1 s VAL 42 Cb 0.01 -0.97 0.17 0.00 0.00 0.00 0.00 36.38 35.59 1de1 s VAL 42 CO 0.12 0.33 1.12 0.72 0.00 0.00 0.00 175.10 177.39 1de1 s PHE 43 N -0.19 2.21 -0.34 5.22 -0.12 -1.26 -3.83 117.98 119.66 1de1 s PHE 43 Ca 0.03 0.87 -0.23 0.00 -0.05 0.00 0.00 56.93 57.55 1de1 s PHE 43 Cb -0.07 -3.36 0.00 0.00 -0.63 0.00 0.00 43.02 38.97 1de1 s PHE 43 CO 0.00 -2.70 0.75 0.34 -0.05 0.00 0.00 175.22 173.56 1de1 s ASP 44 N -3.79 6.56 0.52 1.98 2.15 0.05 -4.86 116.67 119.28 1de1 s ASP 44 Ca 0.65 0.41 0.34 0.00 0.43 0.00 0.00 52.55 54.38 1de1 s ASP 44 Cb -0.16 -2.39 1.58 0.00 -0.30 0.00 0.00 42.92 41.65 1de1 s ASP 44 CO 0.55 -0.67 2.03 -2.24 -0.17 0.00 0.00 175.17 174.67 1de1 h ASP 45 N 8.37 0.00 0.41 -0.34 3.04 -1.94 -2.90 116.42 123.06 1de1 h ASP 45 Ca -0.25 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.53 1de1 h ASP 45 Cb 1.10 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.38 1de1 h ASP 45 CO 0.89 0.00 -0.26 -0.08 -2.04 0.00 0.00 179.24 177.75 1de1 h GLU 46 N 0.00 -0.62 -0.38 4.15 4.81 -1.95 0.66 114.58 121.25 1de1 h GLU 46 Ca 0.00 0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.12 1de1 h GLU 46 Cb 0.33 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1de1 h GLU 46 CO 0.00 -0.42 -0.35 0.87 -0.73 0.00 0.00 179.01 178.38 1de1 h LYS 47 N -0.65 0.88 -0.66 1.92 1.79 -1.90 -2.99 116.57 114.96 1de1 h LYS 47 Ca -0.04 -0.44 0.10 0.00 -2.18 0.00 0.00 60.65 58.08 1de1 h LYS 47 Cb 0.54 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.12 1de1 h LYS 47 CO 0.04 1.08 0.29 0.82 -1.08 0.00 0.00 179.45 180.60 1de1 h ILE 48 N 0.72 0.80 0.51 1.86 2.04 -1.30 0.75 117.51 122.89 1de1 h ILE 48 Ca 0.07 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1de1 h ILE 48 Cb 0.92 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1de1 h ILE 48 CO 0.09 0.09 -0.24 0.00 0.00 0.00 0.00 178.15 178.08 1de1 h ALA 49 N 1.43 -0.68 -0.86 1.87 0.00 -0.78 0.21 119.26 120.44 1de1 h ALA 49 Ca 0.33 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1de1 h ALA 49 Cb 0.39 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1de1 h ALA 49 CO -0.29 -0.87 0.57 1.49 0.00 0.00 0.00 179.25 180.15 1de1 h GLU 50 N -0.72 1.11 0.04 0.00 4.81 -1.31 -2.52 114.58 116.00 1de1 h GLU 50 Ca -0.07 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1de1 h GLU 50 Cb 0.54 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1de1 h GLU 50 CO 0.11 0.74 -0.04 1.25 -0.73 0.00 0.00 179.01 180.35 1de1 h LEU 51 N 1.15 -0.09 -0.88 1.64 7.12 0.81 -0.04 115.31 125.02 1de1 h LEU 51 Ca 0.32 0.01 0.22 0.00 0.13 0.00 0.00 57.88 58.56 1de1 h LEU 51 Cb -0.10 0.03 -0.13 0.00 -0.53 0.00 0.00 40.66 39.94 1de1 h LEU 51 CO -0.08 -0.06 0.36 -0.07 -0.13 0.00 0.00 178.44 178.47 1de1 h LEU 52 N -0.08 0.27 -0.75 2.25 3.38 -0.53 0.87 115.31 120.72 1de1 h LEU 52 Ca 0.00 0.16 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 1de1 h LEU 52 Cb 0.08 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1de1 h LEU 52 CO -0.01 -0.02 -0.33 0.74 0.09 0.00 0.00 178.44 178.91 1de1 h THR 53 N 0.37 1.29 -0.04 0.22 2.02 -1.21 -1.70 112.91 113.85 1de1 h THR 53 Ca 0.55 -1.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.22 1de1 h THR 53 Cb 1.04 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 1de1 h THR 53 CO -0.54 0.46 -0.27 0.11 0.37 0.00 0.00 175.52 175.65 1de1 h LYS 54 N 0.49 0.07 0.00 6.66 1.79 0.25 -3.04 116.57 122.78 1de1 h LYS 54 Ca 0.06 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.47 1de1 h LYS 54 Cb 0.81 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1de1 h LYS 54 CO 0.07 0.34 -0.16 -0.07 -1.08 0.00 0.00 179.45 178.54 1de1 h LEU 55 N 0.06 0.14 0.00 2.94 3.38 -0.13 -3.43 115.31 118.28 1de1 h LEU 55 Ca 0.01 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1de1 h LEU 55 Cb 0.52 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1de1 h LEU 55 CO 0.04 0.91 0.00 0.61 0.09 0.00 0.00 178.44 180.09 1de1 n GLY 56 N 1.07 4.46 3.99 0.83 0.00 -0.67 -5.00 105.19 109.87 1de1 n GLY 56 Ca -0.10 -0.85 -0.19 0.00 0.00 0.00 0.00 46.02 44.88 1de1 n GLY 56 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1de1 s ARG 57 N 0.00 2.78 -0.02 1.61 6.06 -1.23 -4.91 118.95 123.24 1de1 s ARG 57 Ca 0.00 -1.01 0.18 0.00 -2.50 0.00 0.00 55.73 52.40 1de1 s ARG 57 Cb 0.00 -2.66 -0.20 0.00 0.06 0.00 0.00 34.95 32.15 1de1 s ARG 57 CO 0.00 -0.39 0.59 -0.25 -2.50 0.00 0.00 175.30 172.75 1de1 n ASP 58 N -2.01 0.52 -4.97 -2.12 8.00 -1.26 -4.15 116.55 110.56 1de1 n ASP 58 Ca 0.07 0.23 -0.21 0.00 0.71 0.00 0.00 54.79 55.58 1de1 n ASP 58 Cb 0.59 0.65 -0.01 0.00 -0.02 0.00 0.00 41.12 42.33 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 -2.92 4.94 -0.44 -3.53 -1.32 -1.26 -4.96 115.64 106.15 1de1 s THR 59 Ca -0.05 -0.88 -0.05 0.00 -1.21 0.00 0.00 61.69 59.49 1de1 s THR 59 Cb 0.09 -3.75 0.12 0.00 -1.51 0.00 0.00 72.50 67.44 1de1 s THR 59 CO 0.83 -0.33 0.27 0.00 -2.21 0.00 0.00 174.62 173.18 1de1 s GLN 60 N -4.10 2.21 -1.17 7.08 -2.07 -1.26 -5.02 119.66 115.32 1de1 s GLN 60 Ca 0.38 -1.81 -0.20 0.00 -1.82 0.00 0.00 55.36 51.90 1de1 s GLN 60 Cb -0.09 -3.73 0.06 0.00 -1.09 0.00 0.00 33.01 28.15 1de1 s GLN 60 CO 0.31 -1.13 1.62 0.42 -1.32 0.00 0.00 175.29 175.19 1de1 s ILE 61 N 1.21 4.01 -1.90 3.63 1.01 -1.26 -4.08 121.20 123.82 1de1 s ILE 61 Ca 0.07 -1.36 0.00 0.00 0.00 0.00 0.00 60.65 59.36 1de1 s ILE 61 Cb -0.24 -5.11 0.00 0.00 0.01 0.00 0.00 42.46 37.12 1de1 s ILE 61 CO -0.03 -1.95 0.00 0.61 0.00 0.00 0.00 174.94 173.57 1de1 n GLY 62 N 6.09 0.54 3.67 6.18 0.00 -1.26 -4.89 105.19 115.53 1de1 n GLY 62 Ca 0.42 -0.04 -0.48 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.65 3.01 -4.44 0.99 -0.00 -1.26 -4.97 117.00 107.68 1de1 n LEU 63 Ca -0.22 1.05 -0.21 0.00 -0.00 0.00 0.00 56.01 56.63 1de1 n LEU 63 Cb 0.67 -1.37 -0.10 0.00 -0.00 0.00 0.00 43.42 42.62 1de1 n LEU 63 CO 0.29 -0.31 -0.27 0.42 -0.00 0.00 0.00 177.39 177.53 1de1 s THR 64 N 1.91 1.11 0.21 1.96 -4.23 -1.26 -5.13 115.64 110.21 1de1 s THR 64 Ca 0.84 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.43 1de1 s THR 64 Cb -0.73 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.31 1de1 s THR 64 CO 0.44 0.00 0.06 -0.04 -0.54 0.00 0.00 174.62 174.54 1de1 s MET 65 N -3.90 2.56 0.30 3.99 -1.94 -1.26 -4.30 119.30 114.75 1de1 s MET 65 Ca 0.36 -1.14 -0.14 0.00 -1.71 0.00 0.00 55.69 53.06 1de1 s MET 65 Cb 0.08 -2.39 -0.09 0.00 2.01 0.00 0.00 34.83 34.44 1de1 s MET 65 CO 0.15 0.43 0.70 -1.25 -0.01 0.00 0.00 175.02 175.04 1de1 s PRO 66 N -3.34 3.98 -0.22 2.03 0.05 -1.26 -5.05 135.00 131.19 1de1 s PRO 66 Ca 0.30 0.61 0.01 0.00 0.05 0.00 0.00 61.00 61.97 1de1 s PRO 66 Cb -0.08 -2.48 0.04 0.00 0.05 0.00 0.00 34.50 32.02 1de1 s PRO 66 CO 0.21 0.19 -0.15 -0.65 0.05 0.00 0.00 177.00 176.66 1de1 s GLN 67 N -2.92 2.69 0.51 4.56 -1.52 0.24 -3.84 119.66 119.39 1de1 s GLN 67 Ca 0.53 -1.04 -0.01 0.00 -1.95 0.00 0.00 55.36 52.88 1de1 s GLN 67 Cb -0.11 -2.75 0.01 0.00 -0.22 0.00 0.00 33.01 29.94 1de1 s GLN 67 CO 0.18 -0.37 0.75 0.08 -0.25 0.00 0.00 175.29 175.68 1de1 s VAL 68 N 1.23 3.58 -0.04 1.09 1.01 0.19 0.18 120.40 127.63 1de1 s VAL 68 Ca -0.01 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 1de1 s VAL 68 Cb -0.16 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.89 1de1 s VAL 68 CO -0.09 -0.28 0.10 -0.36 0.00 0.00 0.00 175.10 174.47 1de1 s PHE 69 N -2.71 -0.09 0.25 5.22 0.08 0.31 -2.07 117.98 118.96 1de1 s PHE 69 Ca 0.52 0.31 -0.30 0.00 0.12 0.00 0.00 56.93 57.58 1de1 s PHE 69 Cb -0.10 -0.08 -0.09 0.00 -0.57 0.00 0.00 43.02 42.18 1de1 s PHE 69 CO 0.40 -0.11 1.18 0.00 -0.10 0.00 0.00 175.22 176.59 1de1 s ALA 70 N 0.76 3.44 0.15 5.36 0.00 -0.61 -1.27 121.76 129.59 1de1 s ALA 70 Ca -0.06 0.99 -0.16 0.00 0.00 0.00 0.00 51.96 52.73 1de1 s ALA 70 Cb -0.08 -3.39 0.10 0.00 0.00 0.00 0.00 23.12 19.75 1de1 s ALA 70 CO -0.03 -0.34 1.13 -2.30 0.00 0.00 0.00 175.76 174.22 1de1 n PRO 71 N 1.64 -0.22 -1.43 0.00 -0.02 -1.07 -2.81 135.00 131.09 1de1 n PRO 71 Ca 0.01 1.12 0.04 0.00 -2.02 0.00 0.00 63.50 62.65 1de1 n PRO 71 Cb 0.44 -1.65 0.02 0.00 -0.02 0.00 0.00 33.50 32.29 1de1 n PRO 71 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1de1 n ASP 72 N -5.02 0.90 0.00 2.55 5.68 -1.26 -4.52 116.55 114.87 1de1 n ASP 72 Ca 0.05 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 1de1 n ASP 72 Cb 0.26 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 1de1 n ASP 72 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1de1 n GLY 73 N 0.46 0.14 3.82 6.12 0.00 -1.12 -5.17 105.19 109.44 1de1 n GLY 73 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 1de1 n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1de1 s SER 74 N 0.01 -0.01 -0.39 1.61 0.15 -1.26 -4.94 113.70 108.87 1de1 s SER 74 Ca 0.00 -0.12 -0.35 0.00 0.70 0.00 0.00 55.95 56.18 1de1 s SER 74 Cb 0.00 0.10 -0.12 0.00 -1.71 0.00 0.00 66.02 64.29 1de1 s SER 74 CO 0.00 -0.20 2.22 1.57 1.20 0.00 0.00 173.24 178.03 1de1 n HIS 75 N -0.74 1.51 -0.03 3.44 -0.00 -1.26 -1.57 115.22 116.57 1de1 n HIS 75 Ca -0.01 0.32 -0.14 0.00 0.46 0.00 0.00 57.72 58.34 1de1 n HIS 75 Cb 0.61 -2.51 -0.11 0.00 -0.12 0.00 0.00 29.99 27.86 1de1 n HIS 75 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 1de1 h ILE 76 N 7.15 1.52 0.00 3.57 2.04 -1.74 -3.47 117.51 126.58 1de1 h ILE 76 Ca -0.25 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 63.94 1de1 h ILE 76 Cb 1.33 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 39.99 1de1 h ILE 76 CO 1.05 0.45 0.00 0.61 0.00 0.00 0.00 178.15 180.26 1de1 n GLY 77 N 0.78 0.58 0.00 5.37 0.00 -1.19 -4.63 105.19 106.10 1de1 n GLY 77 Ca -0.09 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 0.99 0.13 -0.02 0.00 -1.25 0.54 105.19 105.58 1de1 n GLY 78 Ca 0.00 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.20 -0.68 1.61 3.57 -1.92 -2.54 116.94 116.78 1de1 h PHE 79 Ca 0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.58 1de1 h PHE 79 Cb 0.00 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.74 1de1 h PHE 79 CO 0.00 0.24 0.33 0.22 -2.23 0.00 0.00 178.31 176.87 1de1 h ASP 80 N -0.82 0.42 -0.48 0.41 1.82 -1.98 -0.61 116.42 115.18 1de1 h ASP 80 Ca -0.02 0.06 0.02 0.00 -0.39 0.00 0.00 57.03 56.70 1de1 h ASP 80 Cb 0.53 -0.01 -0.03 0.00 0.68 0.00 0.00 39.33 40.50 1de1 h ASP 80 CO 0.04 0.25 0.28 1.56 -1.61 0.00 0.00 179.24 179.76 1de1 h GLN 81 N 0.57 0.55 -0.05 0.28 7.50 -1.88 -2.55 115.11 119.53 1de1 h GLN 81 Ca 0.33 -0.03 -0.00 0.00 0.50 0.00 0.00 58.65 59.45 1de1 h GLN 81 Cb 0.35 -0.12 -0.00 0.00 0.05 0.00 0.00 27.48 27.75 1de1 h GLN 81 CO -0.26 0.36 0.03 1.25 -1.50 0.00 0.00 178.83 178.70 1de1 h LEU 82 N 0.56 0.06 -1.93 1.46 5.85 -0.86 -1.10 115.31 119.36 1de1 h LEU 82 Ca 0.20 -0.09 0.25 0.00 0.84 0.00 0.00 57.88 59.07 1de1 h LEU 82 Cb 0.03 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1de1 h LEU 82 CO -0.09 0.14 0.64 -0.09 -0.34 0.00 0.00 178.44 178.69 1de1 h ARG 83 N -0.02 0.05 -0.02 1.25 2.43 -0.93 1.36 114.38 118.51 1de1 h ARG 83 Ca 0.02 -0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.98 1de1 h ARG 83 Cb 0.09 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1de1 h ARG 83 CO -0.00 0.03 -0.87 0.93 -1.51 0.00 0.00 179.97 178.55 1de1 h GLU 84 N 0.05 0.33 -0.20 0.20 5.08 -0.92 0.92 114.58 120.05 1de1 h GLU 84 Ca 0.43 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1de1 h GLU 84 Cb 1.64 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.97 1de1 h GLU 84 CO -0.03 1.02 -0.17 -0.92 -1.00 0.00 0.00 179.01 177.91 1de1 h TYR 85 N 0.19 0.36 0.00 4.33 5.03 0.29 -2.71 116.97 124.46 1de1 h TYR 85 Ca -0.06 -0.05 -0.13 0.00 2.58 0.00 0.00 58.73 61.07 1de1 h TYR 85 Cb 1.49 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 39.65 1de1 h TYR 85 CO 0.04 0.49 -1.46 1.19 -1.32 0.00 0.00 178.16 177.11 1de1 n PHE 86 N -4.21 0.81 -0.13 -3.82 3.72 0.54 -5.09 117.46 109.28 1de1 n PHE 86 Ca -0.00 0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 1de1 n PHE 86 Cb 0.32 -1.00 0.00 0.00 -0.94 0.00 0.00 39.48 37.86 1de1 n PHE 86 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07