#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de1 n PHE 2 N 0.00 1.31 -3.15 1.12 3.01 -1.26 -3.83 117.46 114.66 1de1 n PHE 2 Ca 0.00 1.09 -0.40 0.00 1.01 0.00 0.00 57.45 59.15 1de1 n PHE 2 Cb 0.00 -2.13 -0.06 0.00 -0.01 0.00 0.00 39.48 37.29 1de1 n PHE 2 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1de1 s LYS 3 N 1.83 4.25 0.08 -1.08 3.01 -0.14 0.17 119.74 127.86 1de1 s LYS 3 Ca 0.97 0.60 0.08 0.00 -1.01 0.00 0.00 55.97 56.62 1de1 s LYS 3 Cb -1.38 -3.54 -0.04 0.00 -1.01 0.00 0.00 37.83 31.86 1de1 s LYS 3 CO 0.71 -0.14 -0.19 0.08 0.51 0.00 0.00 175.35 176.32 1de1 s VAL 4 N 1.57 2.72 -0.32 3.17 1.01 0.33 0.19 120.40 129.07 1de1 s VAL 4 Ca 0.29 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.91 1de1 s VAL 4 Cb -0.16 -2.18 0.10 0.00 0.00 0.00 0.00 36.38 34.14 1de1 s VAL 4 CO 0.11 0.23 0.09 -0.31 0.00 0.00 0.00 175.10 175.23 1de1 s TYR 5 N -1.01 2.20 0.00 5.22 1.51 0.33 0.81 117.35 126.41 1de1 s TYR 5 Ca 0.16 -2.06 0.00 0.00 -1.01 0.00 0.00 57.07 54.16 1de1 s TYR 5 Cb -0.10 -2.01 0.00 0.00 -0.11 0.00 0.00 41.96 39.74 1de1 s TYR 5 CO 0.07 -0.89 0.00 0.41 -1.11 0.00 0.00 175.55 174.03 1de1 n GLY 6 N 4.66 3.68 3.48 0.71 0.00 -0.74 -0.30 105.19 116.68 1de1 n GLY 6 Ca -0.00 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.21 2.61 -0.34 1.61 2.02 -1.26 -2.60 117.35 119.18 1de1 s TYR 7 Ca 0.00 -0.23 0.08 0.00 -0.37 0.00 0.00 57.07 56.56 1de1 s TYR 7 Cb 0.00 -1.48 0.61 0.00 -0.40 0.00 0.00 41.96 40.69 1de1 s TYR 7 CO 0.00 0.27 1.68 -3.47 -1.57 0.00 0.00 175.55 172.46 1de1 n ASP 8 N 1.52 3.53 -0.10 2.29 -0.08 -1.26 -4.73 116.55 117.72 1de1 n ASP 8 Ca -0.16 -3.53 -0.01 0.00 -1.51 0.00 0.00 54.79 49.58 1de1 n ASP 8 Cb 0.52 -0.71 -0.01 0.00 2.34 0.00 0.00 41.12 43.26 1de1 n ASP 8 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1de1 n SER 9 N -0.86 -5.37 -0.04 1.67 3.41 -1.14 -4.85 113.62 106.44 1de1 n SER 9 Ca 0.42 0.03 -0.02 0.00 -0.26 0.00 0.00 58.87 59.04 1de1 n SER 9 Cb 1.30 -2.98 -0.01 0.00 -0.26 0.00 0.00 64.21 62.26 1de1 n SER 9 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1de1 h ASN 10 N 0.00 0.00 0.30 4.04 -0.73 -1.92 -3.42 115.58 113.85 1de1 h ASN 10 Ca -0.03 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.14 1de1 h ASN 10 Cb 0.82 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.41 1de1 h ASN 10 CO 0.04 0.40 -1.47 -0.38 -0.37 0.00 0.00 177.43 175.65 1de1 n ILE 11 N -3.70 0.16 -3.66 2.57 2.08 -1.26 -5.00 119.36 110.55 1de1 n ILE 11 Ca -0.03 -0.40 -0.10 0.00 0.56 0.00 0.00 62.75 62.79 1de1 n ILE 11 Cb 0.10 0.09 -0.05 0.00 -0.75 0.00 0.00 39.64 39.03 1de1 n ILE 11 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1de1 s HIS 12 N -3.36 -0.16 0.84 1.39 2.46 -1.26 -4.73 115.29 110.47 1de1 s HIS 12 Ca -0.02 -0.16 -0.16 0.00 0.47 0.00 0.00 55.06 55.19 1de1 s HIS 12 Cb 0.13 0.25 -0.07 0.00 -0.13 0.00 0.00 32.58 32.76 1de1 s HIS 12 CO 0.86 -0.71 -0.01 1.17 -2.47 0.00 0.00 174.74 173.57 1de1 n LYS 13 N -0.23 0.01 -2.89 2.88 3.00 -1.26 -2.87 118.16 116.80 1de1 n LYS 13 Ca -0.15 0.03 -0.13 0.00 -0.00 0.00 0.00 58.31 58.06 1de1 n LYS 13 Cb 0.64 -1.47 0.01 0.00 0.00 0.00 0.00 35.03 34.21 1de1 n LYS 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1de1 n VAL 15 N 1.48 1.68 0.24 0.00 0.24 -1.26 -3.31 118.33 117.40 1de1 n VAL 15 Ca 0.13 -0.47 0.13 0.00 -2.04 0.00 0.00 64.34 62.08 1de1 n VAL 15 Cb 0.60 -1.79 0.55 0.00 -1.47 0.00 0.00 33.84 31.73 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 -0.27 0.00 0.14 6.34 -1.99 -1.94 -3.15 116.97 116.10 1de1 h TYR 16 Ca -0.44 0.00 -0.29 0.00 2.00 0.00 0.00 58.73 60.00 1de1 h TYR 16 Cb 1.81 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.54 1de1 h TYR 16 CO 0.07 0.14 -1.45 0.00 -0.00 0.00 0.00 178.16 176.93 1de1 h ASP 18 N -0.19 0.13 0.05 0.00 3.58 -1.54 0.48 116.42 118.93 1de1 h ASP 18 Ca -0.30 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.16 1de1 h ASP 18 Cb 1.85 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.89 1de1 h ASP 18 CO 0.11 0.05 -0.02 0.78 -2.88 0.00 0.00 179.24 177.28 1de1 h ASN 19 N 0.13 -0.06 -0.60 2.28 2.35 -1.64 -2.83 115.58 115.21 1de1 h ASN 19 Ca 0.40 -0.33 0.07 0.00 -0.55 0.00 0.00 56.30 55.89 1de1 h ASN 19 Cb 1.36 0.01 -0.06 0.00 0.05 0.00 0.00 38.32 39.69 1de1 h ASN 19 CO -0.06 0.59 0.27 0.00 -1.65 0.00 0.00 177.43 176.58 1de1 h ALA 20 N -0.64 0.78 -0.46 -0.83 0.00 -1.25 0.30 119.26 117.16 1de1 h ALA 20 Ca -0.01 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1de1 h ALA 20 Cb 0.38 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1de1 h ALA 20 CO 0.01 -0.11 0.28 -0.22 0.00 0.00 0.00 179.25 179.21 1de1 h LYS 21 N 0.50 0.54 -0.59 0.00 3.64 -0.20 -1.94 116.57 118.52 1de1 h LYS 21 Ca 0.29 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 1de1 h LYS 21 Cb 0.28 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1de1 h LYS 21 CO -0.24 0.36 0.19 -0.09 -2.27 0.00 0.00 179.45 177.40 1de1 h ARG 22 N 0.56 0.88 0.11 1.90 1.12 -1.09 -2.28 114.38 115.57 1de1 h ARG 22 Ca 0.18 -0.16 0.01 0.00 -1.11 0.00 0.00 59.98 58.91 1de1 h ARG 22 Cb 0.01 -0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 29.80 1de1 h ARG 22 CO -0.08 0.75 -0.18 1.25 -3.11 0.00 0.00 179.97 178.60 1de1 h LEU 23 N 0.85 -0.50 -0.60 3.80 6.46 -0.24 0.16 115.31 125.24 1de1 h LEU 23 Ca 0.20 0.06 0.06 0.00 -0.12 0.00 0.00 57.88 58.07 1de1 h LEU 23 Cb 0.23 0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 40.30 1de1 h LEU 23 CO -0.01 -0.26 0.31 -0.07 -0.62 0.00 0.00 178.44 177.79 1de1 h LEU 24 N -0.35 0.44 -1.10 2.25 3.38 -1.18 0.56 115.31 119.30 1de1 h LEU 24 Ca 0.02 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1de1 h LEU 24 Cb 0.37 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 1de1 h LEU 24 CO -0.09 0.29 0.61 0.74 0.09 0.00 0.00 178.44 180.08 1de1 h THR 25 N 0.58 1.13 -0.18 0.22 2.02 -0.94 0.19 112.91 115.93 1de1 h THR 25 Ca 0.27 -0.39 -0.22 0.00 0.77 0.00 0.00 66.41 66.85 1de1 h THR 25 Cb 0.20 -0.11 0.01 0.00 -1.74 0.00 0.00 68.15 66.51 1de1 h THR 25 CO -0.19 0.21 -0.73 0.58 0.37 0.00 0.00 175.52 175.75 1de1 h VAL 26 N 1.14 1.27 0.00 3.16 2.07 0.48 -2.92 116.25 121.44 1de1 h VAL 26 Ca 0.38 -1.92 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1de1 h VAL 26 Cb 0.07 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1de1 h VAL 26 CO -0.13 0.61 0.00 0.29 0.02 0.00 0.00 177.57 178.37 1de1 n LYS 27 N -3.95 0.01 -2.76 1.57 4.01 0.18 -4.90 118.16 112.32 1de1 n LYS 27 Ca -0.07 0.19 -0.09 0.00 -0.51 0.00 0.00 58.31 57.83 1de1 n LYS 27 Cb 0.72 -1.51 0.05 0.00 -0.51 0.00 0.00 35.03 33.78 1de1 n LYS 27 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1de1 n LYS 28 N -1.52 -3.52 -3.67 1.97 3.00 0.52 -5.04 118.16 109.90 1de1 n LYS 28 Ca 0.04 0.45 -0.25 0.00 -0.00 0.00 0.00 58.31 58.55 1de1 n LYS 28 Cb 0.21 -4.28 -0.17 0.00 0.00 0.00 0.00 35.03 30.79 1de1 n LYS 28 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1de1 s GLN 29 N -4.73 0.25 1.00 1.64 -1.52 -0.26 -5.03 119.66 111.01 1de1 s GLN 29 Ca 0.00 -0.09 -0.13 0.00 -1.95 0.00 0.00 55.36 53.19 1de1 s GLN 29 Cb -0.00 -1.65 0.19 0.00 -0.22 0.00 0.00 33.01 31.33 1de1 s GLN 29 CO 0.39 -0.58 0.41 -2.30 -0.25 0.00 0.00 175.29 172.95 1de1 n PRO 30 N 5.21 -2.43 -3.79 2.91 -0.02 -1.26 -4.41 135.00 131.21 1de1 n PRO 30 Ca -0.07 -0.72 -0.05 0.00 -2.02 0.00 0.00 63.50 60.64 1de1 n PRO 30 Cb 0.49 -1.47 -0.01 0.00 -0.02 0.00 0.00 33.50 32.48 1de1 n PRO 30 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1de1 s PHE 31 N -2.06 -0.14 -0.20 6.00 -0.71 -1.26 -4.40 117.98 115.20 1de1 s PHE 31 Ca 0.35 -0.21 -0.03 0.00 -1.04 0.00 0.00 56.93 55.99 1de1 s PHE 31 Cb -0.06 0.66 0.06 0.00 -1.21 0.00 0.00 43.02 42.48 1de1 s PHE 31 CO 0.30 -0.96 0.04 -2.00 -1.34 0.00 0.00 175.22 171.26 1de1 s GLU 32 N -3.47 0.65 0.39 1.99 2.12 0.44 -4.74 118.70 116.09 1de1 s GLU 32 Ca 0.12 -0.45 -0.02 0.00 0.36 0.00 0.00 54.97 54.98 1de1 s GLU 32 Cb -0.03 -2.10 -0.03 0.00 0.26 0.00 0.00 34.13 32.23 1de1 s GLU 32 CO 0.04 -0.66 0.63 0.12 -0.54 0.00 0.00 175.26 174.85 1de1 s PHE 33 N 1.85 3.52 -0.17 5.30 5.36 -1.26 0.12 117.98 132.71 1de1 s PHE 33 Ca -0.00 0.51 -0.07 0.00 -0.96 0.00 0.00 56.93 56.41 1de1 s PHE 33 Cb -0.17 -2.04 0.07 0.00 -0.34 0.00 0.00 43.02 40.55 1de1 s PHE 33 CO -0.09 -0.01 0.36 0.42 -1.46 0.00 0.00 175.22 174.44 1de1 s ILE 34 N -2.46 -0.40 -0.13 3.12 1.01 0.24 -4.77 121.20 117.81 1de1 s ILE 34 Ca 0.42 0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.96 1de1 s ILE 34 Cb -0.10 -0.57 -0.01 0.00 0.01 0.00 0.00 42.46 41.80 1de1 s ILE 34 CO 0.39 0.08 1.01 0.21 0.00 0.00 0.00 174.94 176.63 1de1 s ASN 35 N 2.19 7.22 0.19 3.58 2.47 -1.26 -1.80 114.94 127.54 1de1 s ASN 35 Ca -0.03 1.50 0.23 0.00 0.42 0.00 0.00 52.86 54.98 1de1 s ASN 35 Cb -0.11 -2.55 0.15 0.00 -1.45 0.00 0.00 41.25 37.29 1de1 s ASN 35 CO -0.11 -0.49 1.19 0.16 -3.72 0.00 0.00 177.10 174.13 1de1 h ILE 36 N 5.16 0.00 -2.99 -5.21 -2.65 -1.85 -3.41 117.51 106.57 1de1 h ILE 36 Ca -0.29 -0.80 -0.62 0.00 1.03 0.00 0.00 64.86 64.18 1de1 h ILE 36 Cb 1.13 1.37 -0.41 0.00 -2.05 0.00 0.00 36.82 36.86 1de1 h ILE 36 CO 0.88 0.00 -0.68 -0.32 0.03 0.00 0.00 178.15 178.06 1de1 s MET 37 N -3.28 1.91 0.16 0.16 0.00 -1.26 0.11 119.30 117.11 1de1 s MET 37 Ca 0.03 -2.78 0.21 0.00 0.00 0.00 0.00 55.69 53.14 1de1 s MET 37 Cb 0.11 -2.86 0.86 0.00 0.00 0.00 0.00 34.83 32.93 1de1 s MET 37 CO 0.76 -1.25 1.64 -0.35 0.00 0.00 0.00 175.02 175.81 1de1 n PRO 38 N 2.57 0.13 -3.87 4.11 -0.04 -1.26 -4.65 135.00 131.99 1de1 n PRO 38 Ca 0.17 0.34 -0.13 0.00 -0.04 0.00 0.00 63.50 63.84 1de1 n PRO 38 Cb 0.37 -1.73 -0.15 0.00 -0.04 0.00 0.00 33.50 31.95 1de1 n PRO 38 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1de1 s GLU 39 N -3.19 0.04 0.00 0.54 2.02 -1.26 -4.98 118.70 111.87 1de1 s GLU 39 Ca 0.06 0.04 0.02 0.00 0.02 0.00 0.00 54.97 55.11 1de1 s GLU 39 Cb 0.10 -0.12 0.11 0.00 0.10 0.00 0.00 34.13 34.32 1de1 s GLU 39 CO 0.37 -0.04 1.00 0.36 0.02 0.00 0.00 175.26 176.96 1de1 n LYS 40 N 3.41 0.01 0.08 1.61 0.00 -1.26 -2.67 118.16 119.34 1de1 n LYS 40 Ca -0.17 0.38 -0.05 0.00 -0.00 0.00 0.00 58.31 58.48 1de1 n LYS 40 Cb 0.57 -1.50 -0.02 0.00 -0.00 0.00 0.00 35.03 34.08 1de1 n LYS 40 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1de1 h GLY 41 N 0.41 -0.31 -3.07 2.58 0.00 -1.95 -3.49 103.07 97.24 1de1 h GLY 41 Ca 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 1de1 h GLY 41 CO 0.00 -0.11 -0.17 0.14 0.00 0.00 0.00 176.54 176.40 1de1 s VAL 42 N -2.50 0.09 1.22 4.60 1.01 -1.09 -5.17 120.40 118.56 1de1 s VAL 42 Ca -0.04 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.00 1de1 s VAL 42 Cb 0.00 -1.27 0.31 0.00 0.00 0.00 0.00 36.38 35.43 1de1 s VAL 42 CO 0.13 -0.41 1.01 -0.36 0.00 0.00 0.00 175.10 175.46 1de1 s PHE 43 N -3.83 1.13 -0.63 5.22 0.40 -1.26 -4.20 117.98 114.80 1de1 s PHE 43 Ca 0.04 1.13 -0.15 0.00 -0.60 0.00 0.00 56.93 57.35 1de1 s PHE 43 Cb 0.03 -3.05 0.16 0.00 0.51 0.00 0.00 43.02 40.66 1de1 s PHE 43 CO -0.11 -4.15 0.59 0.34 0.70 0.00 0.00 175.22 172.58 1de1 s ASP 44 N -2.42 6.37 0.44 1.36 -1.08 0.31 -4.89 116.67 116.77 1de1 s ASP 44 Ca 0.69 -2.06 0.24 0.00 -0.52 0.00 0.00 52.55 50.90 1de1 s ASP 44 Cb -0.25 -2.21 1.25 0.00 -1.46 0.00 0.00 42.92 40.25 1de1 s ASP 44 CO 0.66 -0.78 1.78 0.44 0.52 0.00 0.00 175.17 177.79 1de1 h ASP 45 N 8.56 0.30 0.60 -0.34 3.32 -1.93 0.18 116.42 127.11 1de1 h ASP 45 Ca -0.18 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 1de1 h ASP 45 Cb 1.08 0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.65 1de1 h ASP 45 CO 0.95 0.05 -0.29 -0.33 -1.72 0.00 0.00 179.24 177.91 1de1 h GLU 46 N 0.26 -0.77 -0.22 3.56 5.08 -1.97 0.24 114.58 120.75 1de1 h GLU 46 Ca 0.58 0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 59.00 1de1 h GLU 46 Cb 1.75 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 31.16 1de1 h GLU 46 CO -0.21 -0.46 0.13 -0.22 -1.00 0.00 0.00 179.01 177.25 1de1 h LYS 47 N -1.08 0.30 0.00 2.33 1.63 -1.61 -1.03 116.57 117.10 1de1 h LYS 47 Ca -0.08 -0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 59.54 1de1 h LYS 47 Cb 0.67 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.21 1de1 h LYS 47 CO 0.13 0.21 -0.74 0.82 -3.45 0.00 0.00 179.45 176.42 1de1 h ILE 48 N 0.31 1.50 0.44 2.00 5.03 -0.60 -2.77 117.51 123.42 1de1 h ILE 48 Ca 0.08 -2.58 -0.02 0.00 -0.12 0.00 0.00 64.86 62.22 1de1 h ILE 48 Cb -0.01 2.40 0.00 0.00 -3.03 0.00 0.00 36.82 36.19 1de1 h ILE 48 CO -0.02 0.73 -0.21 0.00 -0.68 0.00 0.00 178.15 177.97 1de1 h ALA 49 N 1.26 -0.59 -0.39 1.87 0.00 0.87 0.34 119.26 122.61 1de1 h ALA 49 Ca -0.01 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1de1 h ALA 49 Cb 1.34 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1de1 h ALA 49 CO 0.10 -0.82 0.01 1.05 0.00 0.00 0.00 179.25 179.59 1de1 h GLU 50 N -0.61 0.61 0.87 0.00 4.11 -1.59 -2.59 114.58 115.37 1de1 h GLU 50 Ca -0.06 -0.13 -0.04 0.00 0.07 0.00 0.00 59.36 59.19 1de1 h GLU 50 Cb 0.46 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.64 1de1 h GLU 50 CO 0.10 0.62 -0.42 1.25 0.07 0.00 0.00 179.01 180.63 1de1 h LEU 51 N 0.58 -0.99 -0.97 3.06 6.46 -1.18 -1.66 115.31 120.61 1de1 h LEU 51 Ca 0.12 0.03 0.30 0.00 -0.12 0.00 0.00 57.88 58.21 1de1 h LEU 51 Cb 0.35 0.26 -0.15 0.00 -0.73 0.00 0.00 40.66 40.38 1de1 h LEU 51 CO 0.01 -0.65 0.47 -0.07 -0.62 0.00 0.00 178.44 177.58 1de1 h LEU 52 N -1.27 0.37 -0.80 2.25 3.38 -0.22 0.59 115.31 119.61 1de1 h LEU 52 Ca -0.12 0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 1de1 h LEU 52 Cb 0.90 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1de1 h LEU 52 CO 0.20 -0.14 -0.52 0.74 0.09 0.00 0.00 178.44 178.80 1de1 h THR 53 N 0.29 1.36 -0.35 0.22 2.02 -1.29 -3.20 112.91 111.96 1de1 h THR 53 Ca 0.68 -1.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.05 1de1 h THR 53 Cb 1.52 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 69.79 1de1 h THR 53 CO -0.62 0.53 0.07 0.11 0.37 0.00 0.00 175.52 175.97 1de1 h LYS 54 N 0.17 0.56 -0.95 6.66 1.57 0.11 -3.01 116.57 121.68 1de1 h LYS 54 Ca 0.00 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1de1 h LYS 54 Cb 0.97 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.16 1de1 h LYS 54 CO 0.08 0.62 0.63 -0.07 -0.57 0.00 0.00 179.45 180.14 1de1 h LEU 55 N 0.41 1.07 0.00 2.94 4.07 -1.46 -3.41 115.31 118.93 1de1 h LEU 55 Ca 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1de1 h LEU 55 Cb 0.32 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.80 1de1 h LEU 55 CO 0.00 0.76 0.00 0.61 -1.08 0.00 0.00 178.44 178.73 1de1 n GLY 56 N -1.39 -0.27 1.36 0.83 0.00 -1.14 -4.85 105.19 99.73 1de1 n GLY 56 Ca 0.12 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1de1 n GLY 56 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1de1 n ARG 57 N 0.00 0.04 0.00 1.61 0.63 -1.26 -4.51 116.66 113.17 1de1 n ARG 57 Ca 0.00 -1.68 0.00 0.00 -0.92 0.00 0.00 57.85 55.25 1de1 n ARG 57 Cb 0.00 0.15 0.00 0.00 0.45 0.00 0.00 32.46 33.06 1de1 n ARG 57 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1de1 n ASP 58 N 0.29 0.00 -4.59 6.15 5.75 -1.26 -5.13 116.55 117.76 1de1 n ASP 58 Ca -0.06 0.00 -0.27 0.00 -0.01 0.00 0.00 54.79 54.45 1de1 n ASP 58 Cb 0.99 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.97 1de1 n ASP 58 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1de1 s THR 59 N 2.66 2.03 -0.69 2.12 -1.32 -1.26 -4.95 115.64 114.23 1de1 s THR 59 Ca 0.00 -2.06 -0.22 0.00 -1.21 0.00 0.00 61.69 58.20 1de1 s THR 59 Cb 0.00 -2.89 0.07 0.00 -1.51 0.00 0.00 72.50 68.18 1de1 s THR 59 CO 0.00 -0.06 1.00 -1.10 -2.21 0.00 0.00 174.62 172.25 1de1 s GLN 60 N -3.69 3.17 -1.17 7.08 -0.21 -1.26 -4.96 119.66 118.62 1de1 s GLN 60 Ca 0.34 -0.90 -0.20 0.00 0.02 0.00 0.00 55.36 54.62 1de1 s GLN 60 Cb 0.08 -4.31 0.06 0.00 1.00 0.00 0.00 33.01 29.84 1de1 s GLN 60 CO 0.17 -1.84 1.61 0.96 -2.12 0.00 0.00 175.29 174.08 1de1 s ILE 61 N 4.03 4.02 -1.91 1.08 -4.36 -1.26 -4.08 121.20 118.71 1de1 s ILE 61 Ca 0.24 -1.37 0.00 0.00 -0.26 0.00 0.00 60.65 59.26 1de1 s ILE 61 Cb -0.15 -5.13 0.00 0.00 1.25 0.00 0.00 42.46 38.43 1de1 s ILE 61 CO 0.08 -1.98 0.00 0.61 0.24 0.00 0.00 174.94 173.89 1de1 n GLY 62 N 6.10 0.45 3.55 6.27 0.00 -1.26 -4.93 105.19 115.37 1de1 n GLY 62 Ca 0.42 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 46.05 1de1 n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1de1 n LEU 63 N -2.71 2.35 -4.51 0.99 7.99 -1.26 -5.02 117.00 114.84 1de1 n LEU 63 Ca -0.23 0.64 -0.24 0.00 -0.01 0.00 0.00 56.01 56.17 1de1 n LEU 63 Cb 0.68 -1.32 -0.10 0.00 -0.11 0.00 0.00 43.42 42.57 1de1 n LEU 63 CO 0.29 -2.49 -0.44 0.42 -1.51 0.00 0.00 177.39 173.66 1de1 s THR 64 N -1.84 2.53 0.15 -5.08 -4.23 -1.26 -5.14 115.64 100.77 1de1 s THR 64 Ca 0.70 -2.31 0.06 0.00 -1.18 0.00 0.00 61.69 58.96 1de1 s THR 64 Cb -0.35 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.02 1de1 s THR 64 CO 0.53 -0.35 0.04 -0.04 -0.54 0.00 0.00 174.62 174.26 1de1 s MET 65 N -3.55 2.60 0.24 3.99 1.00 -1.26 -4.11 119.30 118.21 1de1 s MET 65 Ca 0.31 -0.97 -0.18 0.00 0.00 0.00 0.00 55.69 54.85 1de1 s MET 65 Cb -0.04 -2.49 -0.08 0.00 0.00 0.00 0.00 34.83 32.22 1de1 s MET 65 CO 0.16 0.48 0.71 -1.25 0.00 0.00 0.00 175.02 175.12 1de1 s PRO 66 N -2.85 4.16 -0.25 2.03 0.05 -1.26 -4.92 135.00 131.96 1de1 s PRO 66 Ca 0.28 0.78 -0.13 0.00 0.05 0.00 0.00 61.00 61.98 1de1 s PRO 66 Cb -0.10 -2.77 -0.04 0.00 0.05 0.00 0.00 34.50 31.64 1de1 s PRO 66 CO 0.20 0.34 0.30 -1.14 0.05 0.00 0.00 177.00 176.75 1de1 s GLN 67 N -2.24 4.05 0.21 4.56 2.00 0.60 -4.28 119.66 124.56 1de1 s GLN 67 Ca 0.45 -0.05 0.06 0.00 -2.00 0.00 0.00 55.36 53.82 1de1 s GLN 67 Cb -0.15 -3.60 -0.04 0.00 0.80 0.00 0.00 33.01 30.02 1de1 s GLN 67 CO 0.20 -0.13 0.21 0.08 -0.50 0.00 0.00 175.29 175.14 1de1 s VAL 68 N 1.63 4.65 0.13 1.34 1.01 0.72 0.12 120.40 130.00 1de1 s VAL 68 Ca 0.13 -1.17 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 1de1 s VAL 68 Cb -0.15 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1de1 s VAL 68 CO 0.08 -0.24 0.11 -0.36 0.00 0.00 0.00 175.10 174.70 1de1 s PHE 69 N -1.95 0.65 0.79 5.22 0.40 0.51 -2.93 117.98 120.68 1de1 s PHE 69 Ca 0.32 -1.04 -0.12 0.00 -0.60 0.00 0.00 56.93 55.49 1de1 s PHE 69 Cb -0.09 -0.33 0.07 0.00 0.51 0.00 0.00 43.02 43.19 1de1 s PHE 69 CO 0.25 -0.56 1.15 0.00 0.70 0.00 0.00 175.22 176.76 1de1 s ALA 70 N -4.00 1.98 0.63 5.36 0.00 0.31 -0.97 121.76 125.08 1de1 s ALA 70 Ca 0.19 0.60 0.40 0.00 0.00 0.00 0.00 51.96 53.14 1de1 s ALA 70 Cb 0.06 -3.40 2.23 0.00 0.00 0.00 0.00 23.12 22.02 1de1 s ALA 70 CO -0.01 -2.07 2.33 -1.35 0.00 0.00 0.00 175.76 174.66 1de1 h PRO 71 N -0.98 0.00 0.00 0.00 0.11 -1.91 -2.30 132.00 126.92 1de1 h PRO 71 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1de1 h PRO 71 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1de1 h PRO 71 CO 0.48 0.00 -1.16 -0.40 -0.21 0.00 0.00 178.00 176.71 1de1 n ASP 72 N -3.31 1.75 0.00 -2.05 5.68 -1.26 -4.17 116.55 113.18 1de1 n ASP 72 Ca -0.03 -0.27 0.00 0.00 -0.50 0.00 0.00 54.79 53.99 1de1 n ASP 72 Cb 0.08 1.33 0.00 0.00 -1.14 0.00 0.00 41.12 41.39 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 1.65 2.23 3.64 6.12 0.00 -0.87 -5.18 105.19 112.79 1de1 n GLY 73 Ca -0.01 -0.52 -0.02 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 -0.05 -0.38 1.61 0.15 -1.26 -4.77 113.70 109.00 1de1 s SER 74 Ca 0.00 0.04 -0.25 0.00 0.70 0.00 0.00 55.95 56.45 1de1 s SER 74 Cb 0.00 0.04 0.01 0.00 -1.71 0.00 0.00 66.02 64.36 1de1 s SER 74 CO 0.00 -0.05 0.87 -2.28 1.20 0.00 0.00 173.24 172.98 1de1 s HIS 75 N -1.21 3.07 -0.22 3.44 2.46 -1.26 0.12 115.29 121.69 1de1 s HIS 75 Ca 0.09 0.62 0.02 0.00 0.47 0.00 0.00 55.06 56.26 1de1 s HIS 75 Cb -0.01 -3.59 -0.15 0.00 -0.13 0.00 0.00 32.58 28.71 1de1 s HIS 75 CO -0.07 -0.83 -0.18 -0.89 -2.47 0.00 0.00 174.74 170.30 1de1 n ILE 76 N 5.96 1.25 0.00 0.89 -0.00 -1.15 -4.91 119.36 121.40 1de1 n ILE 76 Ca 0.05 -0.49 0.00 0.00 -0.00 0.00 0.00 62.75 62.31 1de1 n ILE 76 Cb 0.48 -1.24 0.00 0.00 -0.00 0.00 0.00 39.64 38.88 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 2.43 0.83 0.00 7.39 0.00 -1.20 -4.45 105.19 110.19 1de1 n GLY 77 Ca -0.38 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.61 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 1.10 0.00 -0.02 0.00 -1.26 -0.20 105.19 104.81 1de1 n GLY 78 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1de1 n GLY 78 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1de1 n PHE 79 N 0.00 0.00 -0.19 1.61 7.35 -1.26 -2.35 117.46 122.62 1de1 n PHE 79 Ca 0.00 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.62 1de1 n PHE 79 Cb 0.00 -0.47 0.02 0.00 0.35 0.00 0.00 39.48 39.39 1de1 n PHE 79 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1de1 h ASP 80 N 0.00 0.63 -0.94 -2.13 1.82 -1.96 -1.23 116.42 112.62 1de1 h ASP 80 Ca 0.00 -0.04 0.16 0.00 -0.39 0.00 0.00 57.03 56.76 1de1 h ASP 80 Cb 0.00 -0.16 -0.10 0.00 0.68 0.00 0.00 39.33 39.75 1de1 h ASP 80 CO 0.00 0.49 0.54 1.56 -1.61 0.00 0.00 179.24 180.21 1de1 h GLN 81 N 0.73 0.71 -0.03 0.28 4.20 -1.91 0.02 115.11 119.11 1de1 h GLN 81 Ca 0.19 -0.04 -0.19 0.00 0.06 0.00 0.00 58.65 58.67 1de1 h GLN 81 Cb -0.04 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 1de1 h GLN 81 CO -0.04 0.47 -0.82 1.25 -0.67 0.00 0.00 178.83 179.02 1de1 h LEU 82 N 0.74 0.38 -1.85 1.46 6.46 -1.04 -3.00 115.31 118.45 1de1 h LEU 82 Ca 0.52 -0.28 0.25 0.00 -0.12 0.00 0.00 57.88 58.24 1de1 h LEU 82 Cb 0.73 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.50 1de1 h LEU 82 CO -0.36 1.05 0.63 -0.09 -0.62 0.00 0.00 178.44 179.05 1de1 h ARG 83 N 0.19 0.11 -0.30 1.25 2.43 0.20 1.56 114.38 119.81 1de1 h ARG 83 Ca -0.04 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 1de1 h ARG 83 Cb 1.42 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.93 1de1 h ARG 83 CO 0.13 0.07 -0.18 1.49 -1.51 0.00 0.00 179.97 179.97 1de1 h GLU 84 N 0.11 0.55 -0.28 0.20 4.57 -1.34 0.88 114.58 119.28 1de1 h GLU 84 Ca 0.44 -0.19 -0.04 0.00 -1.18 0.00 0.00 59.36 58.39 1de1 h GLU 84 Cb 1.58 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 30.11 1de1 h GLU 84 CO -0.06 0.71 -0.02 -0.92 -1.18 0.00 0.00 179.01 177.55 1de1 h TYR 85 N 0.50 0.44 0.00 0.92 5.03 0.21 -3.32 116.97 120.74 1de1 h TYR 85 Ca 0.08 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1de1 h TYR 85 Cb 0.60 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.75 1de1 h TYR 85 CO 0.02 0.45 0.00 1.19 -1.32 0.00 0.00 178.16 178.50 1de1 n PHE 86 N -4.30 0.00 1.94 -3.82 3.72 -0.72 -5.14 117.46 109.14 1de1 n PHE 86 Ca 0.01 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.57 1de1 n PHE 86 Cb 0.23 -0.32 0.90 0.00 -0.94 0.00 0.00 39.48 39.35 1de1 n PHE 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34