#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f09 n LEU -11 N 0.00 0.00 0.00 0.64 4.77 -1.26 -4.02 117.00 117.13 3f09 n LEU -11 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3f09 n LEU -11 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3f09 n LEU -11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3f09 n GLY -10 N -1.69 0.46 3.85 -0.72 0.00 -1.26 -5.04 105.19 100.80 3f09 n GLY -10 Ca 0.00 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.70 3f09 n GLY -10 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3f09 s THR -9 N -2.00 5.09 -1.37 2.61 -1.32 -1.26 -4.97 115.64 112.42 3f09 s THR -9 Ca 0.00 0.61 0.30 0.00 -1.21 0.00 0.00 61.69 61.39 3f09 s THR -9 Cb 0.00 -3.66 0.47 0.00 -1.51 0.00 0.00 72.50 67.80 3f09 s THR -9 CO 0.00 0.44 2.01 -0.62 -2.21 0.00 0.00 174.62 174.25 3f09 n GLU -8 N 1.39 0.38 -1.63 7.08 1.02 -1.26 -4.90 120.64 122.72 3f09 n GLU -8 Ca -0.12 -0.02 -0.55 0.00 -0.02 0.00 0.00 57.16 56.46 3f09 n GLU -8 Cb 0.52 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.37 3f09 n GLU -8 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3f09 n ASN -7 N -1.30 2.42 -0.08 1.62 5.15 -1.26 -4.85 115.26 116.96 3f09 n ASN -7 Ca 0.13 0.90 -0.14 0.00 -0.60 0.00 0.00 54.58 54.87 3f09 n ASN -7 Cb 0.26 -1.19 -0.05 0.00 -0.53 0.00 0.00 39.78 38.27 3f09 n ASN -7 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3f09 h LEU -6 N 8.71 0.74 -0.97 1.20 3.38 -1.98 -2.40 115.31 123.99 3f09 h LEU -6 Ca -0.41 -0.50 -0.11 0.00 0.09 0.00 0.00 57.88 56.95 3f09 h LEU -6 Cb 1.32 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3f09 h LEU -6 CO 0.98 1.09 -0.49 1.88 0.09 0.00 0.00 178.44 181.99 3f09 h TYR -5 N 0.40 0.07 -0.32 1.13 0.05 -1.96 -0.20 116.97 116.15 3f09 h TYR -5 Ca 0.03 -0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.71 3f09 h TYR -5 Cb 0.91 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.63 3f09 h TYR -5 CO 0.08 0.54 -0.12 0.35 -1.05 0.00 0.00 178.16 177.96 3f09 h PHE -4 N 0.05 0.73 0.00 4.88 3.57 -1.92 -3.26 116.94 120.99 3f09 h PHE -4 Ca -0.00 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.33 3f09 h PHE -4 Cb 0.89 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.45 3f09 h PHE -4 CO 0.00 0.84 -0.39 1.96 -2.23 0.00 0.00 178.31 178.50 3f09 h GLN -3 N 0.41 0.00 -6.96 1.11 1.08 -1.26 -3.47 115.11 106.02 3f09 h GLN -3 Ca 0.08 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.74 3f09 h GLN -3 Cb 0.63 0.00 0.11 0.00 -0.05 0.00 0.00 27.48 28.17 3f09 h GLN -3 CO 0.04 0.00 0.74 0.45 -0.95 0.00 0.00 178.83 179.10 3f09 s SER -2 N -4.56 6.20 -0.16 1.46 0.15 -0.10 -4.93 113.70 111.76 3f09 s SER -2 Ca 0.07 2.96 0.16 0.00 0.70 0.00 0.00 55.95 59.85 3f09 s SER -2 Cb 0.12 -2.66 0.44 0.00 -1.71 0.00 0.00 66.02 62.21 3f09 s SER -2 CO 0.68 -0.96 1.19 -3.20 1.20 0.00 0.00 173.24 172.15 3f09 n ASN -1 N 0.23 1.96 -4.76 5.45 2.85 -1.26 -5.03 115.26 114.69 3f09 n ASN -1 Ca 0.02 -3.10 -0.39 0.00 -0.11 0.00 0.00 54.58 51.01 3f09 n ASN -1 Cb 0.40 -0.43 -0.05 0.00 1.24 0.00 0.00 39.78 40.95 3f09 n ASN -1 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3f09 s ALA 0 N -2.36 3.29 0.05 5.20 0.00 -1.26 -4.97 121.76 121.71 3f09 s ALA 0 Ca 0.38 0.72 0.01 0.00 0.00 0.00 0.00 51.96 53.07 3f09 s ALA 0 Cb 0.38 -3.26 -0.25 0.00 0.00 0.00 0.00 23.12 19.98 3f09 s ALA 0 CO -0.08 -0.01 1.03 0.52 0.00 0.00 0.00 175.76 177.22 3f09 h MET 1 N 3.52 0.15 -5.57 0.00 2.86 -1.98 -3.44 114.93 110.47 3f09 h MET 1 Ca -0.47 -0.26 -0.59 0.00 -2.06 0.00 0.00 59.70 56.33 3f09 h MET 1 Cb 1.21 0.10 -0.10 0.00 0.06 0.00 0.00 31.60 32.86 3f09 h MET 1 CO 0.66 1.03 -0.18 0.42 1.06 0.00 0.00 176.91 179.90 3f09 s ILE 2 N -2.65 5.20 -0.02 -1.22 1.01 -1.26 -4.05 121.20 118.21 3f09 s ILE 2 Ca -0.04 0.80 -0.22 0.00 0.00 0.00 0.00 60.65 61.19 3f09 s ILE 2 Cb 0.08 -3.76 -0.23 0.00 0.01 0.00 0.00 42.46 38.56 3f09 s ILE 2 CO 0.85 0.30 1.08 -0.74 0.00 0.00 0.00 174.94 176.42 3f09 h HIS 3 N 7.00 0.40 -2.03 3.97 -0.00 -1.38 -3.49 115.15 119.63 3f09 h HIS 3 Ca -0.39 -0.21 0.21 0.00 -0.00 0.00 0.00 60.37 59.98 3f09 h HIS 3 Cb 1.17 -0.05 -0.11 0.00 -0.00 0.00 0.00 27.41 28.41 3f09 h HIS 3 CO 0.64 1.01 0.60 0.20 -0.00 0.00 0.00 177.93 180.38 3f09 s GLY 4 N -3.95 -0.33 0.10 5.26 0.00 -1.23 -5.02 107.32 102.15 3f09 s GLY 4 Ca -0.15 0.57 0.03 0.00 0.00 0.00 0.00 44.72 45.17 3f09 s GLY 4 CO 0.77 0.14 -0.09 -0.26 0.00 0.00 0.00 173.10 173.67 3f09 s ILE 5 N -2.96 0.85 -0.09 0.90 -4.36 -1.26 -1.52 121.20 112.76 3f09 s ILE 5 Ca 0.11 -1.71 -0.14 0.00 -0.26 0.00 0.00 60.65 58.65 3f09 s ILE 5 Cb 0.00 -1.42 0.03 0.00 1.25 0.00 0.00 42.46 42.32 3f09 s ILE 5 CO -0.02 -0.65 0.35 -0.83 0.24 0.00 0.00 174.94 174.03 3f09 s GLY 6 N -2.60 -0.23 0.03 6.27 0.00 -0.17 -3.49 107.32 107.12 3f09 s GLY 6 Ca 0.07 0.76 0.03 0.00 0.00 0.00 0.00 44.72 45.57 3f09 s GLY 6 CO -0.01 0.58 -0.09 0.54 0.00 0.00 0.00 173.10 174.12 3f09 s VAL 7 N -0.45 0.64 -0.06 1.40 0.11 -1.26 -1.17 120.40 119.60 3f09 s VAL 7 Ca -0.06 -0.82 -0.03 0.00 -2.93 0.00 0.00 61.98 58.14 3f09 s VAL 7 Cb -0.04 -0.63 0.03 0.00 -1.53 0.00 0.00 36.38 34.22 3f09 s VAL 7 CO 0.02 -0.15 0.14 -0.62 -3.33 0.00 0.00 175.10 171.16 3f09 s ASP 8 N -1.07 -0.12 -0.12 3.54 2.15 0.04 -4.72 116.67 116.37 3f09 s ASP 8 Ca -0.04 0.29 0.00 0.00 0.43 0.00 0.00 52.55 53.23 3f09 s ASP 8 Cb -0.07 0.21 -0.02 0.00 -0.30 0.00 0.00 42.92 42.74 3f09 s ASP 8 CO 0.00 -0.12 -0.14 -0.22 -0.17 0.00 0.00 175.17 174.53 3f09 s LEU 9 N 0.84 2.70 -0.04 -1.34 2.96 -1.26 -1.37 118.68 121.16 3f09 s LEU 9 Ca -0.06 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 3f09 s LEU 9 Cb -0.08 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 45.01 3f09 s LEU 9 CO -0.04 0.18 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.41 3f09 s ILE 10 N 0.25 1.14 -0.21 6.68 -1.09 0.10 -4.99 121.20 123.09 3f09 s ILE 10 Ca -0.09 -0.54 -0.26 0.00 -2.23 0.00 0.00 60.65 57.52 3f09 s ILE 10 Cb -0.16 -1.01 -0.00 0.00 -1.58 0.00 0.00 42.46 39.71 3f09 s ILE 10 CO 0.05 0.34 0.91 -1.83 -1.23 0.00 0.00 174.94 173.18 3f09 s GLU 11 N 0.24 4.25 0.44 2.79 -1.05 -1.26 -0.77 118.70 123.33 3f09 s GLU 11 Ca -0.06 1.12 0.13 0.00 -0.15 0.00 0.00 54.97 56.01 3f09 s GLU 11 Cb -0.12 -3.62 0.96 0.00 -0.44 0.00 0.00 34.13 30.91 3f09 s GLU 11 CO 0.02 -0.49 1.98 0.82 0.95 0.00 0.00 175.26 178.54 3f09 h ILE 12 N 5.35 1.13 -0.98 1.83 2.04 -1.30 -2.15 117.51 123.43 3f09 h ILE 12 Ca -0.24 -0.61 0.18 0.00 1.00 0.00 0.00 64.86 65.19 3f09 h ILE 12 Cb 1.10 1.26 -0.09 0.00 -0.74 0.00 0.00 36.82 38.34 3f09 h ILE 12 CO 0.89 0.18 0.61 0.44 0.00 0.00 0.00 178.15 180.28 3f09 h ASP 13 N 0.08 0.74 -0.37 1.72 5.19 -1.92 0.46 116.42 122.32 3f09 h ASP 13 Ca 0.02 0.08 -0.12 0.00 -0.62 0.00 0.00 57.03 56.38 3f09 h ASP 13 Cb 0.30 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.74 3f09 h ASP 13 CO 0.02 0.30 -0.20 0.03 -3.12 0.00 0.00 179.24 176.28 3f09 h ARG 14 N 0.74 0.86 -0.24 3.56 2.47 -1.77 -1.25 114.38 118.75 3f09 h ARG 14 Ca 0.54 -0.34 -0.11 0.00 -1.26 0.00 0.00 59.98 58.81 3f09 h ARG 14 Cb 0.87 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 29.14 3f09 h ARG 14 CO -0.32 0.98 -0.27 0.82 0.56 0.00 0.00 179.97 181.75 3f09 h ILE 15 N 0.75 1.32 -0.76 2.04 1.08 -1.36 -0.86 117.51 119.72 3f09 h ILE 15 Ca 0.11 -1.44 0.07 0.00 -0.39 0.00 0.00 64.86 63.21 3f09 h ILE 15 Cb 0.73 1.70 -0.06 0.00 -3.07 0.00 0.00 36.82 36.11 3f09 h ILE 15 CO 0.06 0.45 0.43 -0.61 -0.69 0.00 0.00 178.15 177.79 3f09 h GLN 16 N 0.31 0.74 -0.29 2.37 5.75 -0.85 0.14 115.11 123.29 3f09 h GLN 16 Ca 0.03 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 3f09 h GLN 16 Cb 0.83 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.20 3f09 h GLN 16 CO 0.06 0.49 0.06 0.00 -2.65 0.00 0.00 178.83 176.80 3f09 h ALA 17 N 1.40 0.38 -0.26 3.38 0.00 -1.05 0.21 119.26 123.31 3f09 h ALA 17 Ca 0.35 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3f09 h ALA 17 Cb 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3f09 h ALA 17 CO -0.21 0.05 0.11 1.25 0.00 0.00 0.00 179.25 180.45 3f09 h LEU 18 N 0.30 0.15 -0.56 0.00 5.85 -0.56 -0.48 115.31 120.01 3f09 h LEU 18 Ca 0.09 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 3f09 h LEU 18 Cb 0.30 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3f09 h LEU 18 CO 0.00 0.12 -0.12 0.22 -0.34 0.00 0.00 178.44 178.33 3f09 h TYR 19 N 0.25 1.15 -0.46 1.25 5.03 -0.58 -1.91 116.97 121.71 3f09 h TYR 19 Ca 0.11 -0.24 -0.13 0.00 2.58 0.00 0.00 58.73 61.05 3f09 h TYR 19 Cb 0.06 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.04 3f09 h TYR 19 CO -0.11 1.06 -0.23 0.66 -1.32 0.00 0.00 178.16 178.22 3f09 h SER 20 N 0.91 0.99 -0.85 -2.11 4.64 -0.17 -2.24 113.55 114.73 3f09 h SER 20 Ca 0.14 -0.41 -0.57 0.00 -0.47 0.00 0.00 61.79 60.48 3f09 h SER 20 Cb 0.69 -0.27 -0.32 0.00 -0.31 0.00 0.00 62.40 62.18 3f09 h SER 20 CO 0.05 1.18 0.21 2.29 -0.87 0.00 0.00 176.83 179.69 3f09 n LYS 21 N -4.13 2.86 0.00 4.77 2.85 -0.22 -4.60 118.16 119.68 3f09 n LYS 21 Ca -0.01 -3.54 0.00 0.00 -1.05 0.00 0.00 58.31 53.71 3f09 n LYS 21 Cb 0.46 -2.23 0.00 0.00 -0.65 0.00 0.00 35.03 32.62 3f09 n LYS 21 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 3f09 n GLN 22 N -0.89 0.00 -0.15 -1.58 -0.06 -0.72 -4.94 117.38 109.03 3f09 n GLN 22 Ca 0.53 0.00 0.15 0.00 -2.00 0.00 0.00 57.00 55.68 3f09 n GLN 22 Cb 0.88 0.00 0.50 0.00 -4.06 0.00 0.00 30.24 27.55 3f09 n GLN 22 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 3f09 h PRO 23 N 0.00 0.42 0.00 3.69 0.11 -1.60 -1.91 132.00 132.70 3f09 h PRO 23 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3f09 h PRO 23 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 3f09 h PRO 23 CO 0.00 0.27 0.00 1.63 -0.21 0.00 0.00 178.00 179.69 3f09 n LYS 24 N -4.48 0.01 0.14 1.05 5.02 -1.26 -1.59 118.16 117.04 3f09 n LYS 24 Ca 0.14 0.29 0.13 0.00 -2.02 0.00 0.00 58.31 56.85 3f09 n LYS 24 Cb 0.50 -1.50 0.41 0.00 -0.02 0.00 0.00 35.03 34.41 3f09 n LYS 24 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3f09 h LEU 25 N 0.00 0.00 -1.88 -0.35 3.38 -1.71 -2.93 115.31 111.82 3f09 h LEU 25 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3f09 h LEU 25 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3f09 h LEU 25 CO 0.00 0.00 0.17 0.58 0.09 0.00 0.00 178.44 179.28 3f09 h VAL 26 N 0.00 0.96 0.00 1.22 2.07 -1.53 0.35 116.25 119.32 3f09 h VAL 26 Ca 0.00 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 3f09 h VAL 26 Cb 0.69 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3f09 h VAL 26 CO 0.00 0.03 -0.17 -0.33 0.02 0.00 0.00 177.57 177.12 3f09 h GLU 27 N 0.15 0.00 -0.01 1.57 5.08 -1.73 -0.49 114.58 119.15 3f09 h GLU 27 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3f09 h GLU 27 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3f09 h GLU 27 CO -0.02 0.17 -0.56 0.54 -1.00 0.00 0.00 179.01 178.14 3f09 n ARG 28 N -3.38 0.45 -0.08 2.33 1.74 0.06 -4.40 116.66 113.38 3f09 n ARG 28 Ca -0.00 -0.32 -0.12 0.00 -0.77 0.00 0.00 57.85 56.63 3f09 n ARG 28 Cb 0.37 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.25 3f09 n ARG 28 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3f09 n ILE 29 N -0.99 0.89 -4.02 0.55 5.41 -0.84 -3.63 119.36 116.71 3f09 n ILE 29 Ca 0.08 -0.31 -0.35 0.00 1.00 0.00 0.00 62.75 63.16 3f09 n ILE 29 Cb 0.36 -1.19 -0.07 0.00 -0.71 0.00 0.00 39.64 38.04 3f09 n ILE 29 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3f09 s LEU 30 N -6.11 4.12 1.03 1.39 1.43 -0.21 -3.30 118.68 117.03 3f09 s LEU 30 Ca -0.21 0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 53.06 3f09 s LEU 30 Cb 0.06 -2.21 0.20 0.00 0.03 0.00 0.00 46.19 44.27 3f09 s LEU 30 CO 0.34 0.33 1.09 0.42 0.23 0.00 0.00 176.35 178.77 3f09 s THR 31 N -1.12 1.98 0.19 5.49 -4.23 -1.26 -4.71 115.64 111.98 3f09 s THR 31 Ca 0.20 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.59 3f09 s THR 31 Cb -0.12 -2.48 0.11 0.00 1.34 0.00 0.00 72.50 71.35 3f09 s THR 31 CO 0.10 0.00 1.84 0.11 -0.54 0.00 0.00 174.62 176.13 3f09 h LYS 32 N -2.00 0.74 -0.59 3.99 1.57 -1.97 0.26 116.57 118.58 3f09 h LYS 32 Ca -0.55 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.13 3f09 h LYS 32 Cb 1.33 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 3f09 h LYS 32 CO 0.57 0.49 0.14 -0.91 -0.57 0.00 0.00 179.45 179.17 3f09 h ASN 33 N 0.76 0.90 -0.67 0.86 4.21 -1.99 -0.15 115.58 119.50 3f09 h ASN 33 Ca 0.24 -0.23 -0.05 0.00 1.21 0.00 0.00 56.30 57.47 3f09 h ASN 33 Cb -0.01 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 36.93 3f09 h ASN 33 CO -0.09 0.90 0.22 -0.33 -1.29 0.00 0.00 177.43 176.84 3f09 h GLU 34 N 0.86 1.04 -0.61 0.81 5.08 -1.78 -2.40 114.58 117.58 3f09 h GLU 34 Ca 0.19 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3f09 h GLU 34 Cb 0.35 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3f09 h GLU 34 CO 0.00 0.90 0.29 1.96 -1.00 0.00 0.00 179.01 181.16 3f09 h GLN 35 N 0.98 0.89 -0.42 2.33 4.20 -0.15 0.13 115.11 123.06 3f09 h GLN 35 Ca 0.22 -0.13 0.06 0.00 0.06 0.00 0.00 58.65 58.86 3f09 h GLN 35 Cb 0.29 -0.16 -0.06 0.00 0.30 0.00 0.00 27.48 27.85 3f09 h GLN 35 CO -0.01 0.72 0.09 1.25 -0.67 0.00 0.00 178.83 180.21 3f09 h HIS 36 N 0.84 0.14 -0.27 2.96 2.76 -0.83 0.38 115.15 121.14 3f09 h HIS 36 Ca 0.21 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.36 3f09 h HIS 36 Cb 0.13 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 3f09 h HIS 36 CO 0.00 0.01 -0.01 -0.22 -1.30 0.00 0.00 177.93 176.42 3f09 h LYS 37 N 0.22 0.49 0.10 5.26 3.64 -1.04 -2.33 116.57 122.90 3f09 h LYS 37 Ca 0.20 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3f09 h LYS 37 Cb 0.24 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 3f09 h LYS 37 CO -0.26 0.65 -0.40 0.35 -2.27 0.00 0.00 179.45 177.53 3f09 h PHE 38 N 0.27 -1.11 0.00 1.91 3.57 -0.38 -2.43 116.94 118.78 3f09 h PHE 38 Ca 0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3f09 h PHE 38 Cb 0.44 0.47 0.00 0.00 2.79 0.00 0.00 35.95 39.65 3f09 h PHE 38 CO 0.04 -0.49 0.00 -0.91 -2.23 0.00 0.00 178.31 174.71 3f09 h ASN 39 N -0.61 0.00 -0.02 0.41 2.35 -0.19 -2.27 115.58 115.25 3f09 h ASN 39 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3f09 h ASN 39 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.02 3f09 h ASN 39 CO -0.25 0.00 -0.01 0.59 -1.65 0.00 0.00 177.43 176.11 3f09 n ASN 40 N -2.92 2.20 -4.75 5.81 3.02 -0.89 -4.90 115.26 112.83 3f09 n ASN 40 Ca -0.02 -1.72 -0.41 0.00 -0.03 0.00 0.00 54.58 52.40 3f09 n ASN 40 Cb 0.08 0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.23 3f09 n ASN 40 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3f09 s PHE 41 N -2.02 3.28 -0.09 3.10 0.40 -0.86 -4.91 117.98 116.89 3f09 s PHE 41 Ca 0.33 1.42 0.09 0.00 -0.60 0.00 0.00 56.93 58.17 3f09 s PHE 41 Cb 0.20 -3.53 -0.24 0.00 0.51 0.00 0.00 43.02 39.96 3f09 s PHE 41 CO 0.33 -1.48 0.47 0.25 0.70 0.00 0.00 175.22 175.48 3f09 n THR 42 N 1.66 1.60 -3.47 0.64 -2.24 -1.26 -4.85 114.28 106.36 3f09 n THR 42 Ca 0.02 -0.77 -0.39 0.00 -2.27 0.00 0.00 64.05 60.65 3f09 n THR 42 Cb 0.43 -1.09 -0.10 0.00 -2.10 0.00 0.00 70.33 67.48 3f09 n THR 42 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3f09 s HIS 43 N -2.57 3.25 0.37 4.78 3.76 -1.26 -4.98 115.29 118.64 3f09 s HIS 43 Ca -0.10 0.32 0.06 0.00 -0.15 0.00 0.00 55.06 55.19 3f09 s HIS 43 Cb 0.07 -2.49 0.73 0.00 1.11 0.00 0.00 32.58 32.00 3f09 s HIS 43 CO 0.80 -0.18 1.97 1.49 -0.85 0.00 0.00 174.74 177.97 3f09 h GLU 44 N 8.15 0.53 -0.21 1.40 4.57 -1.99 -1.91 114.58 125.12 3f09 h GLU 44 Ca -0.33 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 57.65 3f09 h GLU 44 Cb 1.17 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 3f09 h GLU 44 CO 0.62 0.45 -0.39 0.37 -1.18 0.00 0.00 179.01 178.88 3f09 h GLN 45 N 0.52 0.47 -0.04 1.92 4.15 -1.99 -1.62 115.11 118.51 3f09 h GLN 45 Ca 0.13 -0.23 -0.14 0.00 0.77 0.00 0.00 58.65 59.18 3f09 h GLN 45 Cb 0.14 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 3f09 h GLN 45 CO -0.01 0.79 -0.63 0.00 -1.93 0.00 0.00 178.83 177.04 3f09 h ARG 46 N 0.39 0.15 -0.14 1.69 3.08 -1.83 -2.00 114.38 115.73 3f09 h ARG 46 Ca 0.04 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3f09 h ARG 46 Cb 0.86 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 3f09 h ARG 46 CO 0.07 0.73 0.03 -0.22 -1.07 0.00 0.00 179.97 179.52 3f09 h LYS 47 N 0.11 0.22 -0.67 0.04 3.64 -1.06 -1.59 116.57 117.27 3f09 h LYS 47 Ca -0.01 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 3f09 h LYS 47 Cb 1.14 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 3f09 h LYS 47 CO 0.09 0.38 0.10 0.82 -2.27 0.00 0.00 179.45 178.57 3f09 h ILE 48 N 0.03 1.26 -0.63 2.00 1.08 -1.25 -2.22 117.51 117.78 3f09 h ILE 48 Ca 0.04 -1.05 -0.02 0.00 -0.39 0.00 0.00 64.86 63.44 3f09 h ILE 48 Cb 0.25 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 34.62 3f09 h ILE 48 CO 0.00 0.40 0.33 -0.33 -0.69 0.00 0.00 178.15 177.86 3f09 h GLU 49 N 1.04 0.89 -0.26 2.37 5.08 -1.21 -0.15 114.58 122.34 3f09 h GLU 49 Ca 0.20 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3f09 h GLU 49 Cb 0.45 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 3f09 h GLU 49 CO 0.01 0.68 0.03 0.35 -1.00 0.00 0.00 179.01 179.09 3f09 h PHE 50 N 0.86 0.04 -0.37 4.33 3.57 -1.11 0.12 116.94 124.39 3f09 h PHE 50 Ca 0.22 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.74 3f09 h PHE 50 Cb 0.07 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 3f09 h PHE 50 CO -0.01 -0.00 0.24 1.25 -2.23 0.00 0.00 178.31 177.56 3f09 h LEU 51 N 0.12 0.40 -0.57 0.59 5.85 -1.01 -0.68 115.31 120.01 3f09 h LEU 51 Ca 0.12 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3f09 h LEU 51 Cb 0.14 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3f09 h LEU 51 CO -0.18 0.29 0.26 0.00 -0.34 0.00 0.00 178.44 178.48 3f09 h ALA 52 N 1.14 0.73 -0.69 1.25 0.00 -0.65 -0.20 119.26 120.84 3f09 h ALA 52 Ca 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3f09 h ALA 52 Cb -0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3f09 h ALA 52 CO -0.04 0.31 0.36 0.78 0.00 0.00 0.00 179.25 180.66 3f09 h GLY 53 N 0.77 1.05 1.76 0.00 0.00 -0.48 -1.36 103.07 104.81 3f09 h GLY 53 Ca 0.19 -0.50 -0.15 0.00 0.00 0.00 0.00 47.33 46.87 3f09 h GLY 53 CO -0.02 0.47 -0.64 3.21 0.00 0.00 0.00 176.54 179.57 3f09 h ARG 54 N 0.96 0.24 -0.14 4.80 2.47 -0.84 -0.95 114.38 120.92 3f09 h ARG 54 Ca 0.24 -0.18 -0.01 0.00 -1.26 0.00 0.00 59.98 58.78 3f09 h ARG 54 Cb 0.08 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 3f09 h ARG 54 CO -0.04 0.80 0.06 0.35 0.56 0.00 0.00 179.97 181.71 3f09 h PHE 55 N 0.17 0.20 -0.85 3.04 3.57 -0.80 -0.73 116.94 121.54 3f09 h PHE 55 Ca -0.01 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 3f09 h PHE 55 Cb 1.15 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.79 3f09 h PHE 55 CO 0.02 0.25 0.50 0.00 -2.23 0.00 0.00 178.31 176.85 3f09 h ALA 56 N 0.93 1.08 -0.32 2.41 0.00 -1.17 -0.99 119.26 121.21 3f09 h ALA 56 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3f09 h ALA 56 Cb 0.12 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3f09 h ALA 56 CO -0.01 0.56 0.07 1.15 0.00 0.00 0.00 179.25 181.02 3f09 h THR 57 N 1.17 1.22 -0.14 0.00 2.02 -0.94 0.60 112.91 116.84 3f09 h THR 57 Ca 0.30 -0.76 -0.10 0.00 0.77 0.00 0.00 66.41 66.62 3f09 h THR 57 Cb -0.02 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3f09 h THR 57 CO -0.05 0.25 -0.36 0.11 0.37 0.00 0.00 175.52 175.84 3f09 h LYS 58 N 0.35 0.30 -0.31 6.66 1.57 -0.83 0.20 116.57 124.52 3f09 h LYS 58 Ca 0.10 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 3f09 h LYS 58 Cb 0.31 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3f09 h LYS 58 CO 0.00 0.63 -0.19 1.49 -0.57 0.00 0.00 179.45 180.81 3f09 h GLU 59 N 0.26 0.68 -0.63 3.15 4.57 -1.04 -1.10 114.58 120.47 3f09 h GLU 59 Ca 0.03 -0.31 -0.08 0.00 -1.18 0.00 0.00 59.36 57.82 3f09 h GLU 59 Cb 0.76 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.32 3f09 h GLU 59 CO 0.06 0.91 0.08 0.00 -1.18 0.00 0.00 179.01 178.88 3f09 h ALA 60 N 0.75 0.96 -0.40 2.92 0.00 -0.42 -1.00 119.26 122.07 3f09 h ALA 60 Ca 0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3f09 h ALA 60 Cb 0.73 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3f09 h ALA 60 CO 0.05 0.65 0.14 0.35 0.00 0.00 0.00 179.25 180.44 3f09 h PHE 61 N 0.97 0.63 -0.90 0.00 3.57 -0.60 -0.98 116.94 119.64 3f09 h PHE 61 Ca 0.19 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 3f09 h PHE 61 Cb 0.45 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 3f09 h PHE 61 CO 0.03 0.58 0.49 0.77 -2.23 0.00 0.00 178.31 177.94 3f09 h SER 62 N 0.50 1.12 -0.40 0.41 0.02 -0.79 0.20 113.55 114.61 3f09 h SER 62 Ca 0.13 -0.10 -0.14 0.00 -0.84 0.00 0.00 61.79 60.84 3f09 h SER 62 Cb 0.23 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3f09 h SER 62 CO -0.01 0.90 -0.27 0.11 -1.14 0.00 0.00 176.83 176.43 3f09 h LYS 63 N 1.26 0.92 -0.38 3.45 1.57 -1.02 -1.77 116.57 120.61 3f09 h LYS 63 Ca 0.31 -0.42 -0.14 0.00 -1.87 0.00 0.00 60.65 58.53 3f09 h LYS 63 Cb 0.03 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3f09 h LYS 63 CO -0.05 1.07 -0.34 0.00 -0.57 0.00 0.00 179.45 179.57 3f09 h ALA 64 N 0.90 0.69 -0.51 3.86 0.00 -0.65 -3.19 119.26 120.35 3f09 h ALA 64 Ca 0.09 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 3f09 h ALA 64 Cb 0.84 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3f09 h ALA 64 CO 0.07 0.67 -0.04 1.25 0.00 0.00 0.00 179.25 181.20 3f09 h LEU 65 N 0.71 0.92 0.00 0.00 5.85 -0.56 -3.34 115.31 118.89 3f09 h LEU 65 Ca 0.07 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3f09 h LEU 65 Cb 0.90 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3f09 h LEU 65 CO 0.08 1.02 0.00 0.61 -0.34 0.00 0.00 178.44 179.81 3f09 n GLY 66 N -0.34 1.53 0.00 3.75 0.00 -0.67 -4.99 105.19 104.48 3f09 n GLY 66 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3f09 n GLY 66 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3f09 n VAL 73 N -0.89 0.00 -2.63 1.61 0.31 -1.26 -4.97 118.33 110.50 3f09 n VAL 73 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 3f09 n VAL 73 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 3f09 n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3f09 s ALA 74 N 0.00 3.36 0.35 3.52 0.00 -1.26 -4.95 121.76 122.78 3f09 s ALA 74 Ca 0.00 0.73 0.12 0.00 0.00 0.00 0.00 51.96 52.81 3f09 s ALA 74 Cb 0.00 -3.27 0.92 0.00 0.00 0.00 0.00 23.12 20.77 3f09 s ALA 74 CO 0.00 0.02 1.77 0.74 0.00 0.00 0.00 175.76 178.29 3f09 h PHE 75 N 4.24 0.88 0.00 0.00 -1.00 -1.85 0.29 116.94 119.51 3f09 h PHE 75 Ca -0.45 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.36 3f09 h PHE 75 Cb 1.21 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 40.50 3f09 h PHE 75 CO 0.61 0.13 0.00 0.27 -1.61 0.00 0.00 178.31 177.71 3f09 n ASN 76 N -4.73 0.00 -0.76 2.17 0.23 -1.21 -1.94 115.26 109.02 3f09 n ASN 76 Ca 0.24 -0.44 0.07 0.00 -0.53 0.00 0.00 54.58 53.93 3f09 n ASN 76 Cb 0.72 -0.13 0.15 0.00 -2.08 0.00 0.00 39.78 38.44 3f09 n ASN 76 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3f09 n ASP 77 N -1.13 2.87 -4.23 0.53 8.00 0.10 -4.05 116.55 118.64 3f09 n ASP 77 Ca 0.15 -1.86 -0.42 0.00 0.71 0.00 0.00 54.79 53.38 3f09 n ASP 77 Cb 0.13 -0.20 -0.08 0.00 -0.02 0.00 0.00 41.12 40.96 3f09 n ASP 77 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3f09 s ILE 78 N -1.09 4.36 -0.51 0.53 1.01 -0.82 -4.93 121.20 119.74 3f09 s ILE 78 Ca 0.26 -1.70 -0.19 0.00 0.00 0.00 0.00 60.65 59.02 3f09 s ILE 78 Cb 0.15 -3.84 0.06 0.00 0.01 0.00 0.00 42.46 38.84 3f09 s ILE 78 CO 0.20 -0.76 0.63 -0.62 0.00 0.00 0.00 174.94 174.39 3f09 s ASP 79 N 2.74 6.22 -0.54 3.58 2.15 -1.26 -4.70 116.67 124.86 3f09 s ASP 79 Ca 0.05 -0.96 -0.19 0.00 0.43 0.00 0.00 52.55 51.88 3f09 s ASP 79 Cb -0.26 -2.29 0.08 0.00 -0.30 0.00 0.00 42.92 40.14 3f09 s ASP 79 CO 0.00 -0.91 0.65 0.00 -0.17 0.00 0.00 175.17 174.74 3f09 s TYR 81 N 2.61 2.17 -0.07 0.00 -0.85 -0.01 -4.83 117.35 116.37 3f09 s TYR 81 Ca 0.13 -0.63 0.03 0.00 -0.52 0.00 0.00 57.07 56.08 3f09 s TYR 81 Cb -0.21 -2.12 -0.02 0.00 0.38 0.00 0.00 41.96 39.98 3f09 s TYR 81 CO 0.09 -0.43 -0.15 -0.80 -1.52 0.00 0.00 175.55 172.74 3f09 s ASN 82 N -4.29 3.96 0.02 -0.18 0.01 -1.26 0.32 114.94 113.53 3f09 s ASN 82 Ca 0.47 -0.24 -0.15 0.00 -0.71 0.00 0.00 52.86 52.23 3f09 s ASN 82 Cb -0.04 -1.00 -0.08 0.00 0.41 0.00 0.00 41.25 40.53 3f09 s ASN 82 CO 0.28 0.30 1.15 0.44 -1.51 0.00 0.00 177.10 177.77 3f09 h ASP 83 N 5.68 -0.46 -0.02 -1.22 5.19 -1.96 -3.46 116.42 120.17 3f09 h ASP 83 Ca -0.41 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 3f09 h ASP 83 Cb 1.17 0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.80 3f09 h ASP 83 CO 0.51 -0.32 0.00 0.61 -3.12 0.00 0.00 179.24 176.93 3f09 n GLY 86 N -1.05 -0.80 3.71 2.75 0.00 -1.26 -5.04 105.19 103.51 3f09 n GLY 86 Ca -0.07 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 3f09 n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f09 s LYS 87 N -1.98 4.39 0.37 1.61 2.20 -1.26 -5.02 119.74 120.05 3f09 s LYS 87 Ca 0.38 1.83 -0.26 0.00 -0.36 0.00 0.00 55.97 57.56 3f09 s LYS 87 Cb 0.18 -3.37 -0.09 0.00 -1.51 0.00 0.00 37.83 33.04 3f09 s LYS 87 CO 0.30 -0.33 1.10 -1.25 -0.36 0.00 0.00 175.35 174.80 3f09 s PRO 88 N 1.29 4.25 0.13 4.03 0.04 -1.26 -4.17 135.00 139.31 3f09 s PRO 88 Ca 0.60 1.69 -0.16 0.00 0.04 0.00 0.00 61.00 63.17 3f09 s PRO 88 Cb -0.30 -2.75 0.03 0.00 0.04 0.00 0.00 34.50 31.52 3f09 s PRO 88 CO 0.28 -0.11 0.40 0.21 0.04 0.00 0.00 177.00 177.82 3f09 s LYS 89 N -2.16 1.07 -0.04 4.56 2.47 0.15 -4.59 119.74 121.19 3f09 s LYS 89 Ca 0.54 -0.72 0.01 0.00 -1.56 0.00 0.00 55.97 54.25 3f09 s LYS 89 Cb -0.27 0.47 0.02 0.00 -1.46 0.00 0.00 37.83 36.58 3f09 s LYS 89 CO 0.34 -0.41 -0.06 0.42 0.16 0.00 0.00 175.35 175.80 3f09 s ILE 90 N -3.81 0.66 -0.20 5.43 1.01 -1.26 -0.83 121.20 122.20 3f09 s ILE 90 Ca 0.03 -0.21 -0.10 0.00 0.00 0.00 0.00 60.65 60.37 3f09 s ILE 90 Cb 0.02 -0.64 -0.05 0.00 0.01 0.00 0.00 42.46 41.80 3f09 s ILE 90 CO -0.12 0.24 0.13 -1.81 0.00 0.00 0.00 174.94 173.38 3f09 s ASP 91 N 0.73 6.14 -0.18 3.58 1.01 -1.26 -4.42 116.67 122.28 3f09 s ASP 91 Ca -0.11 0.20 -0.04 0.00 0.71 0.00 0.00 52.55 53.31 3f09 s ASP 91 Cb -0.14 -2.08 0.08 0.00 1.01 0.00 0.00 42.92 41.79 3f09 s ASP 91 CO 0.01 0.16 0.19 -0.47 0.21 0.00 0.00 175.17 175.28 3f09 s TYR 92 N 0.45 -0.19 -0.06 4.23 5.04 -1.26 -4.86 117.35 120.71 3f09 s TYR 92 Ca 0.07 0.20 -0.40 0.00 -2.44 0.00 0.00 57.07 54.50 3f09 s TYR 92 Cb -0.11 -0.40 -0.18 0.00 0.35 0.00 0.00 41.96 41.61 3f09 s TYR 92 CO -0.01 -0.54 1.31 0.39 -1.34 0.00 0.00 175.55 175.37 3f09 n GLU 93 N 5.31 0.58 0.00 4.97 -0.58 -1.26 -1.55 120.64 128.11 3f09 n GLU 93 Ca -0.06 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 3f09 n GLU 93 Cb 0.49 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 3f09 n GLU 93 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3f09 n GLY 94 N 2.50 1.13 3.20 0.62 0.00 -1.26 -5.05 105.19 106.33 3f09 n GLY 94 Ca 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 3f09 n GLY 94 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f09 s PHE 95 N -2.32 1.02 -0.23 1.61 0.08 -0.60 -1.67 117.98 115.88 3f09 s PHE 95 Ca 0.00 -0.96 -0.06 0.00 0.12 0.00 0.00 56.93 56.03 3f09 s PHE 95 Cb 0.00 -0.58 -0.02 0.00 -0.57 0.00 0.00 43.02 41.85 3f09 s PHE 95 CO 0.00 -0.18 0.02 0.42 -0.10 0.00 0.00 175.22 175.38 3f09 s ILE 96 N -3.65 3.97 -0.22 0.64 1.01 0.64 -4.59 121.20 119.00 3f09 s ILE 96 Ca 0.17 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.47 3f09 s ILE 96 Cb 0.06 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 3f09 s ILE 96 CO -0.01 0.38 0.01 -0.69 0.00 0.00 0.00 174.94 174.63 3f09 s VAL 97 N 1.42 3.89 -0.14 2.92 1.01 -1.26 -1.33 120.40 126.92 3f09 s VAL 97 Ca 0.05 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 3f09 s VAL 97 Cb -0.15 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 3f09 s VAL 97 CO 0.01 0.40 0.00 -1.00 0.00 0.00 0.00 175.10 174.51 3f09 s HIS 98 N 1.36 3.14 0.03 5.22 3.76 0.08 -4.63 115.29 124.24 3f09 s HIS 98 Ca 0.05 -0.02 0.01 0.00 -0.15 0.00 0.00 55.06 54.95 3f09 s HIS 98 Cb -0.15 -1.93 -0.02 0.00 1.11 0.00 0.00 32.58 31.60 3f09 s HIS 98 CO 0.01 0.20 -0.05 0.08 -0.85 0.00 0.00 174.74 174.13 3f09 s VAL 99 N -0.09 0.31 -0.06 -0.90 1.01 -1.26 -0.70 120.40 118.72 3f09 s VAL 99 Ca 0.04 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 3f09 s VAL 99 Cb -0.13 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 35.88 3f09 s VAL 99 CO 0.02 -0.35 0.22 -0.55 0.00 0.00 0.00 175.10 174.45 3f09 s SER 100 N -1.25 -0.17 0.04 3.32 0.15 -0.39 -4.79 113.70 110.60 3f09 s SER 100 Ca -0.10 0.25 0.04 0.00 0.70 0.00 0.00 55.95 56.85 3f09 s SER 100 Cb -0.08 0.39 -0.02 0.00 -1.71 0.00 0.00 66.02 64.60 3f09 s SER 100 CO -0.00 -0.21 -0.13 -0.63 1.20 0.00 0.00 173.24 173.47 3f09 s ILE 101 N -0.46 1.00 0.00 6.45 1.01 -1.26 -1.37 121.20 126.58 3f09 s ILE 101 Ca -0.06 -0.95 -0.02 0.00 0.00 0.00 0.00 60.65 59.62 3f09 s ILE 101 Cb -0.04 -0.92 -0.01 0.00 0.01 0.00 0.00 42.46 41.51 3f09 s ILE 101 CO 0.01 -0.03 0.04 -0.55 0.00 0.00 0.00 174.94 174.41 3f09 s SER 102 N -1.11 0.08 0.01 3.58 0.15 -0.58 -5.00 113.70 110.83 3f09 s SER 102 Ca 0.00 -0.20 0.05 0.00 0.70 0.00 0.00 55.95 56.50 3f09 s SER 102 Cb -0.08 0.13 -0.02 0.00 -1.71 0.00 0.00 66.02 64.34 3f09 s SER 102 CO 0.01 -0.20 -0.15 -1.00 1.20 0.00 0.00 173.24 173.10 3f09 s HIS 103 N -0.85 1.35 0.20 3.44 3.76 -1.26 -1.38 115.29 120.55 3f09 s HIS 103 Ca -0.09 -0.29 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 3f09 s HIS 103 Cb -0.06 -0.84 -0.00 0.00 1.11 0.00 0.00 32.58 32.79 3f09 s HIS 103 CO -0.00 0.01 0.01 0.25 -0.85 0.00 0.00 174.74 174.16 3f09 n THR 104 N 2.39 0.00 -0.21 1.30 -2.24 -0.20 -5.02 114.28 110.29 3f09 n THR 104 Ca -0.16 -1.00 -0.03 0.00 -2.27 0.00 0.00 64.05 60.59 3f09 n THR 104 Cb 0.55 0.23 0.16 0.00 -2.10 0.00 0.00 70.33 69.17 3f09 n THR 104 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3f09 h GLU 105 N 0.00 1.01 0.00 -0.78 4.81 -2.03 -3.32 114.58 114.27 3f09 h GLU 105 Ca -0.17 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3f09 h GLU 105 Cb 0.53 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3f09 h GLU 105 CO 0.27 0.80 -1.47 0.72 -0.73 0.00 0.00 179.01 178.60 3f09 n HIS 106 N -4.32 0.00 -4.17 0.92 8.25 -1.26 -4.85 115.22 109.79 3f09 n HIS 106 Ca 0.06 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.36 3f09 n HIS 106 Cb 0.15 -0.27 -0.12 0.00 1.12 0.00 0.00 29.99 30.87 3f09 n HIS 106 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3f09 s TYR 107 N -2.91 0.91 0.10 4.41 2.02 -1.25 -0.80 117.35 119.83 3f09 s TYR 107 Ca -0.03 -0.40 0.09 0.00 -0.37 0.00 0.00 57.07 56.36 3f09 s TYR 107 Cb 0.10 -0.53 -0.03 0.00 -0.40 0.00 0.00 41.96 41.09 3f09 s TYR 107 CO 0.63 -0.01 -0.23 0.00 -1.57 0.00 0.00 175.55 174.36 3f09 s ALA 108 N -1.07 2.03 0.12 3.71 0.00 0.05 -1.03 121.76 125.57 3f09 s ALA 108 Ca -0.04 -1.30 -0.06 0.00 0.00 0.00 0.00 51.96 50.56 3f09 s ALA 108 Cb -0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 3f09 s ALA 108 CO 0.01 0.44 0.17 0.00 0.00 0.00 0.00 175.76 176.38 3f09 s MET 109 N -1.81 0.95 -0.02 0.00 0.23 -0.48 0.03 119.30 118.19 3f09 s MET 109 Ca 0.10 -1.17 -0.12 0.00 -1.03 0.00 0.00 55.69 53.46 3f09 s MET 109 Cb -0.10 0.32 0.02 0.00 -1.53 0.00 0.00 34.83 33.54 3f09 s MET 109 CO 0.04 -0.30 0.27 0.45 -2.03 0.00 0.00 175.02 173.45 3f09 s SER 110 N -2.95 -0.16 0.02 -1.18 0.15 -0.47 -1.53 113.70 107.59 3f09 s SER 110 Ca 0.14 0.09 0.05 0.00 0.70 0.00 0.00 55.95 56.92 3f09 s SER 110 Cb 0.05 0.33 -0.02 0.00 -1.71 0.00 0.00 66.02 64.67 3f09 s SER 110 CO -0.04 -0.38 -0.14 0.00 1.20 0.00 0.00 173.24 173.88 3f09 s GLN 111 N -1.12 0.98 -0.01 5.44 -2.07 -0.47 -0.78 119.66 121.62 3f09 s GLN 111 Ca -0.12 -0.67 0.03 0.00 -1.82 0.00 0.00 55.36 52.78 3f09 s GLN 111 Cb -0.05 -0.97 -0.00 0.00 -1.09 0.00 0.00 33.01 30.89 3f09 s GLN 111 CO 0.03 0.25 -0.09 0.08 -1.32 0.00 0.00 175.29 174.24 3f09 s VAL 112 N -0.68 0.72 -0.08 3.63 1.01 -0.32 -1.26 120.40 123.42 3f09 s VAL 112 Ca 0.03 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.65 3f09 s VAL 112 Cb -0.07 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.72 3f09 s VAL 112 CO 0.01 0.21 -0.12 -0.69 0.00 0.00 0.00 175.10 174.50 3f09 s VAL 113 N -0.13 1.20 -0.16 2.92 1.01 0.12 -1.00 120.40 124.36 3f09 s VAL 113 Ca 0.02 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 3f09 s VAL 113 Cb -0.04 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 3f09 s VAL 113 CO -0.00 0.37 0.02 -0.76 0.00 0.00 0.00 175.10 174.73 3f09 s LEU 114 N 0.86 3.57 0.06 3.92 1.43 -0.58 -0.74 118.68 127.19 3f09 s LEU 114 Ca -0.11 0.00 0.05 0.00 -1.03 0.00 0.00 54.13 53.05 3f09 s LEU 114 Cb -0.15 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 3f09 s LEU 114 CO 0.01 0.19 -0.08 -1.61 0.23 0.00 0.00 176.35 175.10 3f09 s GLU 115 N 0.25 2.36 0.19 1.70 2.02 -0.45 -1.04 118.70 123.73 3f09 s GLU 115 Ca 0.01 -0.87 -0.16 0.00 0.02 0.00 0.00 54.97 53.97 3f09 s GLU 115 Cb -0.13 -2.41 -0.07 0.00 0.10 0.00 0.00 34.13 31.61 3f09 s GLU 115 CO 0.01 0.55 0.62 0.21 0.02 0.00 0.00 175.26 176.68 3f09 s LYS 116 N -1.86 4.06 0.00 1.61 2.20 -1.26 -0.26 119.74 124.24 3f09 s LYS 116 Ca 0.20 0.62 0.00 0.00 -0.36 0.00 0.00 55.97 56.43 3f09 s LYS 116 Cb -0.11 -2.87 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 3f09 s LYS 116 CO 0.11 0.42 0.46 0.43 -0.36 0.00 0.00 175.35 176.42