#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fqv s SER 3 N 0.00 3.31 -0.07 2.55 0.15 -1.26 -1.53 113.70 116.85 1fqv s SER 3 Ca 0.00 -0.86 -0.12 0.00 0.70 0.00 0.00 55.95 55.68 1fqv s SER 3 Cb 0.00 -0.24 0.02 0.00 -1.71 0.00 0.00 66.02 64.10 1fqv s SER 3 CO 0.00 0.10 0.29 -0.63 1.20 0.00 0.00 173.24 174.20 1fqv s ILE 4 N -1.67 0.03 -0.13 6.45 -1.09 -0.61 -4.69 121.20 119.48 1fqv s ILE 4 Ca 0.19 -0.22 -0.05 0.00 -2.23 0.00 0.00 60.65 58.35 1fqv s ILE 4 Cb -0.08 -0.49 -0.04 0.00 -1.58 0.00 0.00 42.46 40.28 1fqv s ILE 4 CO 0.09 -0.12 0.04 -0.54 -1.23 0.00 0.00 174.94 173.18 1fqv s LYS 5 N -0.47 3.47 0.05 2.79 1.02 -1.25 -1.54 119.74 123.80 1fqv s LYS 5 Ca -0.06 -0.35 0.04 0.00 0.02 0.00 0.00 55.97 55.62 1fqv s LYS 5 Cb -0.04 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 1fqv s LYS 5 CO 0.02 0.53 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.43 1fqv s LEU 6 N -0.37 3.35 -0.20 3.17 1.43 0.88 -1.71 118.68 125.23 1fqv s LEU 6 Ca 0.08 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1fqv s LEU 6 Cb -0.12 -2.01 0.04 0.00 0.03 0.00 0.00 46.19 44.13 1fqv s LEU 6 CO 0.02 0.23 -0.11 -1.58 0.23 0.00 0.00 176.35 175.13 1fqv s GLN 7 N -1.87 2.15 0.65 1.70 0.74 -0.02 -1.24 119.66 121.77 1fqv s GLN 7 Ca 0.21 -0.90 -0.17 0.00 0.05 0.00 0.00 55.36 54.55 1fqv s GLN 7 Cb -0.11 -2.48 -0.01 0.00 1.10 0.00 0.00 33.01 31.50 1fqv s GLN 7 CO 0.13 -0.42 1.23 -1.54 -0.55 0.00 0.00 175.29 174.13 1fqv s SER 8 N 1.35 4.77 0.00 6.67 1.04 0.63 -1.54 113.70 126.63 1fqv s SER 8 Ca -0.01 2.42 0.00 0.00 0.48 0.00 0.00 55.95 58.84 1fqv s SER 8 Cb -0.16 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.36 1fqv s SER 8 CO -0.08 -1.88 0.81 -1.54 0.98 0.00 0.00 173.24 171.53 1fqv n SER 9 N -2.00 0.00 -0.93 7.02 3.41 0.39 -1.72 113.62 119.78 1fqv n SER 9 Ca 0.14 0.33 0.05 0.00 -0.26 0.00 0.00 58.87 59.13 1fqv n SER 9 Cb 0.49 -0.33 0.13 0.00 -0.26 0.00 0.00 64.21 64.25 1fqv n SER 9 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1fqv n ASP 10 N -1.31 1.43 0.00 4.04 3.85 -1.26 -4.94 116.55 118.36 1fqv n ASP 10 Ca 0.00 -3.13 0.00 0.00 -0.71 0.00 0.00 54.79 50.95 1fqv n ASP 10 Cb 0.08 -0.44 0.00 0.00 -1.35 0.00 0.00 41.12 39.41 1fqv n ASP 10 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1fqv n GLY 11 N -0.49 3.16 3.56 6.12 0.00 -0.70 -4.95 105.19 111.89 1fqv n GLY 11 Ca 0.14 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 1fqv n GLY 11 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fqv n GLU 12 N 0.00 1.10 -4.07 1.61 1.02 -1.26 -4.60 120.64 114.44 1fqv n GLU 12 Ca 0.00 0.40 -0.32 0.00 -0.02 0.00 0.00 57.16 57.22 1fqv n GLU 12 Cb 0.00 -1.87 -0.16 0.00 -0.02 0.00 0.00 31.44 29.38 1fqv n GLU 12 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1fqv s ILE 13 N -1.31 1.82 -0.04 -3.67 1.01 -1.26 -0.27 121.20 117.48 1fqv s ILE 13 Ca 0.63 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 60.53 1fqv s ILE 13 Cb -0.58 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 1fqv s ILE 13 CO 0.57 0.50 -0.13 -0.36 0.00 0.00 0.00 174.94 175.52 1fqv s PHE 14 N 1.38 2.73 -0.40 3.97 0.40 -0.38 -4.91 117.98 120.78 1fqv s PHE 14 Ca 0.05 -0.13 -0.11 0.00 -0.60 0.00 0.00 56.93 56.13 1fqv s PHE 14 Cb -0.13 -1.63 0.04 0.00 0.51 0.00 0.00 43.02 41.81 1fqv s PHE 14 CO -0.12 0.22 0.25 -1.21 0.70 0.00 0.00 175.22 175.06 1fqv s GLU 15 N -0.82 2.80 0.32 0.44 2.02 -1.26 -0.08 118.70 122.11 1fqv s GLU 15 Ca 0.12 -1.19 0.08 0.00 0.02 0.00 0.00 54.97 54.01 1fqv s GLU 15 Cb -0.11 -3.81 -0.04 0.00 0.10 0.00 0.00 34.13 30.28 1fqv s GLU 15 CO 0.01 -0.80 0.13 0.14 0.02 0.00 0.00 175.26 174.77 1fqv s VAL 16 N 1.55 3.31 0.28 2.63 -7.23 -0.59 -4.92 120.40 115.43 1fqv s VAL 16 Ca 0.03 -1.68 -0.29 0.00 -1.81 0.00 0.00 61.98 58.23 1fqv s VAL 16 Cb -0.21 -3.01 -0.10 0.00 0.56 0.00 0.00 36.38 33.62 1fqv s VAL 16 CO 0.06 -0.24 1.10 -0.62 -0.31 0.00 0.00 175.10 175.10 1fqv s ASP 17 N -3.82 7.24 0.38 4.85 -1.08 -1.26 -1.58 116.67 121.39 1fqv s ASP 17 Ca 0.36 2.28 0.13 0.00 -0.52 0.00 0.00 52.55 54.80 1fqv s ASP 17 Cb -0.04 -2.63 0.94 0.00 -1.46 0.00 0.00 42.92 39.73 1fqv s ASP 17 CO 0.23 -0.16 1.86 -0.37 0.52 0.00 0.00 175.17 177.24 1fqv h VAL 18 N 3.07 0.75 0.00 1.11 -1.51 -1.55 -0.54 116.25 117.58 1fqv h VAL 18 Ca -0.47 -0.19 -0.07 0.00 -1.23 0.00 0.00 66.70 64.74 1fqv h VAL 18 Cb 1.21 0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 30.51 1fqv h VAL 18 CO 0.67 0.10 -0.33 -0.08 -1.23 0.00 0.00 177.57 176.70 1fqv h GLU 19 N 0.56 0.00 0.14 5.19 4.57 -1.91 -0.95 114.58 122.17 1fqv h GLU 19 Ca 0.46 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 58.31 1fqv h GLU 19 Cb 0.93 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.52 1fqv h GLU 19 CO -0.20 0.33 -1.68 0.82 -1.18 0.00 0.00 179.01 177.09 1fqv h ILE 20 N 0.00 0.99 -0.01 2.32 2.04 -1.54 -3.32 117.51 117.99 1fqv h ILE 20 Ca -0.00 -2.62 -0.11 0.00 1.00 0.00 0.00 64.86 63.12 1fqv h ILE 20 Cb 0.91 2.72 -0.02 0.00 -0.74 0.00 0.00 36.82 39.69 1fqv h ILE 20 CO 0.04 0.83 -0.53 0.00 0.00 0.00 0.00 178.15 178.48 1fqv h ALA 21 N 0.32 1.10 0.00 1.87 0.00 -1.11 -2.32 119.26 119.12 1fqv h ALA 21 Ca -0.31 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1fqv h ALA 21 Cb 2.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1fqv h ALA 21 CO 0.16 0.67 0.00 1.17 0.00 0.00 0.00 179.25 181.25 1fqv n LYS 22 N -3.91 0.15 0.24 0.00 0.00 -0.37 -1.65 118.16 112.62 1fqv n LYS 22 Ca -0.01 0.44 0.16 0.00 0.00 0.00 0.00 58.31 58.90 1fqv n LYS 22 Cb 0.55 -1.82 0.79 0.00 0.00 0.00 0.00 35.03 34.54 1fqv n LYS 22 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1fqv h GLN 23 N 0.00 0.00 -4.60 1.64 4.20 -1.51 -3.37 115.11 111.46 1fqv h GLN 23 Ca 0.00 0.00 -0.71 0.00 0.06 0.00 0.00 58.65 58.00 1fqv h GLN 23 Cb 0.27 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 27.85 1fqv h GLN 23 CO 0.00 0.00 -0.25 0.45 -0.67 0.00 0.00 178.83 178.36 1fqv s SER 24 N -4.78 6.17 0.33 1.46 0.15 -0.66 -4.67 113.70 111.70 1fqv s SER 24 Ca -0.01 -1.00 0.10 0.00 0.70 0.00 0.00 55.95 55.73 1fqv s SER 24 Cb 0.09 -2.21 0.86 0.00 -1.71 0.00 0.00 66.02 63.06 1fqv s SER 24 CO 0.38 -0.64 1.77 0.58 1.20 0.00 0.00 173.24 176.53 1fqv h VAL 25 N 5.74 0.63 0.73 4.45 2.07 -1.50 0.66 116.25 129.03 1fqv h VAL 25 Ca -0.27 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1fqv h VAL 25 Cb 1.11 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1fqv h VAL 25 CO 0.84 0.12 -0.35 0.74 0.02 0.00 0.00 177.57 178.94 1fqv h THR 26 N 0.64 0.00 -0.08 2.57 2.02 -1.76 0.97 112.91 117.28 1fqv h THR 26 Ca 0.59 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 67.68 1fqv h THR 26 Cb 1.09 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1fqv h THR 26 CO -0.38 0.00 0.10 0.40 0.37 0.00 0.00 175.52 176.01 1fqv h ILE 27 N -1.09 0.43 0.21 3.11 2.04 -1.56 -2.30 117.51 118.35 1fqv h ILE 27 Ca -0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1fqv h ILE 27 Cb 0.75 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1fqv h ILE 27 CO 0.17 0.00 -0.10 0.50 0.00 0.00 0.00 178.15 178.71 1fqv h LYS 28 N 0.00 -0.28 -0.88 2.37 3.64 0.68 -2.49 116.57 119.61 1fqv h LYS 28 Ca 0.04 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.58 1fqv h LYS 28 Cb 0.23 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.04 1fqv h LYS 28 CO -0.00 0.10 0.57 0.00 -2.27 0.00 0.00 179.45 177.85 1fqv h THR 29 N -0.87 0.83 -0.22 1.00 1.03 -0.27 -1.86 112.91 112.55 1fqv h THR 29 Ca -0.03 -0.23 -0.08 0.00 -0.01 0.00 0.00 66.41 66.06 1fqv h THR 29 Cb 0.51 0.10 -0.00 0.00 -1.07 0.00 0.00 68.15 67.68 1fqv h THR 29 CO 0.05 0.12 -0.19 0.24 -0.01 0.00 0.00 175.52 175.73 1fqv h MET 30 N 0.67 0.51 0.00 0.00 2.86 -1.49 0.56 114.93 118.04 1fqv h MET 30 Ca 0.44 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1fqv h MET 30 Cb 0.73 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1fqv h MET 30 CO -0.20 0.84 0.00 1.28 1.06 0.00 0.00 176.91 179.89 1fqv n LEU 31 N -4.44 0.00 0.00 1.22 4.77 -0.72 -1.99 117.00 115.85 1fqv n LEU 31 Ca -0.05 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1fqv n LEU 31 Cb 0.40 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1fqv n LEU 31 CO 0.41 -0.18 0.00 -0.62 -1.33 0.00 0.00 177.39 175.68 1fqv n GLU 32 N -1.21 0.00 0.00 3.23 1.02 -1.08 -3.97 120.64 118.64 1fqv n GLU 32 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1fqv n GLU 32 Cb 0.03 -0.08 0.00 0.00 -0.02 0.00 0.00 31.44 31.37 1fqv n GLU 32 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1fqv n ASP 33 N -2.00 0.01 0.00 1.62 9.92 0.17 -2.79 116.55 123.48 1fqv n ASP 33 Ca 0.00 -0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.11 1fqv n ASP 33 Cb 0.00 -0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1fqv n ASP 33 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1fqv n LEU 34 N -0.44 0.00 -3.92 0.64 4.77 -0.84 -4.99 117.00 112.22 1fqv n LEU 34 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 1fqv n LEU 34 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1fqv n LEU 34 CO 0.00 0.00 -0.18 0.61 -1.33 0.00 0.00 177.39 176.49 1fqv n GLY 35 N 0.01 -0.69 3.92 -0.72 0.00 -1.01 -4.97 105.19 101.73 1fqv n GLY 35 Ca 0.00 0.33 -0.24 0.00 0.00 0.00 0.00 46.02 46.11 1fqv n GLY 35 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fqv s MET 36 N -6.68 3.31 0.00 1.61 -1.94 -1.26 -5.06 119.30 109.28 1fqv s MET 36 Ca 0.33 -0.75 0.00 0.00 -1.71 0.00 0.00 55.69 53.56 1fqv s MET 36 Cb -0.15 -2.84 0.00 0.00 2.01 0.00 0.00 34.83 33.85 1fqv s MET 36 CO 0.91 0.47 0.00 -0.25 -0.01 0.00 0.00 175.02 176.14 1fqv n ASP 43 N -0.93 0.00 -4.47 3.03 9.92 -1.26 -4.58 116.55 118.27 1fqv n ASP 43 Ca -0.08 0.07 -0.34 0.00 -0.53 0.00 0.00 54.79 53.91 1fqv n ASP 43 Cb 0.56 -0.17 -0.04 0.00 -0.64 0.00 0.00 41.12 40.82 1fqv n ASP 43 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1fqv n PRO 44 N -1.51 2.02 -1.53 -0.24 -0.02 -1.26 -3.90 135.00 128.56 1fqv n PRO 44 Ca 0.00 -2.61 -0.54 0.00 -2.02 0.00 0.00 63.50 58.33 1fqv n PRO 44 Cb 0.00 -3.59 -0.08 0.00 -0.02 0.00 0.00 33.50 29.82 1fqv n PRO 44 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1fqv n VAL 45 N 7.22 0.23 -2.14 -1.45 0.31 -0.69 -4.65 118.33 117.15 1fqv n VAL 45 Ca 0.47 -0.15 -0.43 0.00 -0.01 0.00 0.00 64.34 64.22 1fqv n VAL 45 Cb 0.46 -1.37 -0.03 0.00 -0.91 0.00 0.00 33.84 31.99 1fqv n VAL 45 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1fqv s PRO 46 N 5.18 4.05 -0.61 5.55 0.02 -1.26 -0.84 135.00 147.08 1fqv s PRO 46 Ca 1.06 1.87 0.06 0.00 0.02 0.00 0.00 61.00 64.01 1fqv s PRO 46 Cb -1.00 -3.95 0.24 0.00 0.02 0.00 0.00 34.50 29.80 1fqv s PRO 46 CO 0.57 -0.98 0.67 1.28 -0.33 0.00 0.00 177.00 178.21 1fqv n LEU 47 N 7.51 3.09 0.14 -5.54 4.77 -0.59 -4.94 117.00 121.44 1fqv n LEU 47 Ca 0.17 -5.29 0.10 0.00 -0.03 0.00 0.00 56.01 50.96 1fqv n LEU 47 Cb 0.44 -0.48 0.51 0.00 -2.33 0.00 0.00 43.42 41.57 1fqv n LEU 47 CO 0.62 2.01 0.80 -0.81 -1.33 0.00 0.00 177.39 178.68 1fqv n PRO 48 N 1.13 0.13 -0.08 3.23 -0.04 -1.26 -1.47 135.00 136.64 1fqv n PRO 48 Ca 0.27 0.58 0.10 0.00 -0.04 0.00 0.00 63.50 64.42 1fqv n PRO 48 Cb 0.42 -1.90 0.13 0.00 -0.04 0.00 0.00 33.50 32.12 1fqv n PRO 48 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1fqv n ASN 49 N -2.17 2.95 -3.89 3.54 3.02 -1.26 -4.62 115.26 112.83 1fqv n ASN 49 Ca -0.01 -1.89 -0.26 0.00 -0.03 0.00 0.00 54.58 52.39 1fqv n ASN 49 Cb 0.07 -0.10 -0.17 0.00 -0.61 0.00 0.00 39.78 38.96 1fqv n ASN 49 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1fqv s VAL 50 N -1.55 0.94 0.95 2.41 1.01 -1.10 -4.87 120.40 118.19 1fqv s VAL 50 Ca 0.28 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 61.87 1fqv s VAL 50 Cb 0.18 -0.98 0.17 0.00 0.00 0.00 0.00 36.38 35.75 1fqv s VAL 50 CO 0.27 0.34 1.22 0.54 0.00 0.00 0.00 175.10 177.47 1fqv s ASN 51 N 1.74 3.23 0.45 3.32 4.22 -1.26 -0.46 114.94 126.18 1fqv s ASN 51 Ca 0.05 0.59 0.13 0.00 -2.14 0.00 0.00 52.86 51.49 1fqv s ASN 51 Cb -0.13 -0.88 1.03 0.00 1.28 0.00 0.00 41.25 42.55 1fqv s ASN 51 CO -0.08 -2.69 2.03 0.00 -2.04 0.00 0.00 177.10 174.33 1fqv h ALA 52 N -1.60 1.75 0.06 3.54 0.00 -1.92 -2.16 119.26 118.93 1fqv h ALA 52 Ca -0.46 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 1fqv h ALA 52 Cb 1.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1fqv h ALA 52 CO 0.49 0.19 -0.03 0.00 0.00 0.00 0.00 179.25 179.90 1fqv h ALA 53 N 1.83 -0.09 -0.08 0.00 0.00 -2.00 -2.87 119.26 116.06 1fqv h ALA 53 Ca 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1fqv h ALA 53 Cb 0.20 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1fqv h ALA 53 CO 0.01 -0.27 0.02 0.82 0.00 0.00 0.00 179.25 179.83 1fqv h ILE 54 N -0.64 1.19 -0.97 0.00 1.08 -1.94 -2.88 117.51 113.35 1fqv h ILE 54 Ca -0.01 -0.59 0.11 0.00 -0.39 0.00 0.00 64.86 63.97 1fqv h ILE 54 Cb 0.55 1.44 -0.08 0.00 -3.07 0.00 0.00 36.82 35.66 1fqv h ILE 54 CO 0.01 0.17 0.62 0.25 -0.69 0.00 0.00 178.15 178.51 1fqv h LEU 55 N -0.08 0.91 -1.70 1.44 6.46 -1.51 0.52 115.31 121.35 1fqv h LEU 55 Ca 0.03 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1fqv h LEU 55 Cb 0.25 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 1fqv h LEU 55 CO 0.00 0.51 0.17 0.50 -0.62 0.00 0.00 178.44 179.00 1fqv h LYS 56 N 0.99 0.37 0.03 1.25 3.64 -1.35 0.01 116.57 121.50 1fqv h LYS 56 Ca 0.46 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1fqv h LYS 56 Cb 0.43 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1fqv h LYS 56 CO -0.22 0.26 -0.01 0.87 -2.27 0.00 0.00 179.45 178.07 1fqv h LYS 57 N 0.38 -0.03 -0.93 1.90 1.79 0.07 -2.10 116.57 117.64 1fqv h LYS 57 Ca 0.10 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.70 1fqv h LYS 57 Cb -0.02 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.57 1fqv h LYS 57 CO -0.02 0.58 0.59 0.28 -1.08 0.00 0.00 179.45 179.80 1fqv h VAL 58 N -0.69 0.90 -0.06 0.50 2.07 -0.02 0.14 116.25 119.09 1fqv h VAL 58 Ca -0.00 -0.29 -0.22 0.00 0.82 0.00 0.00 66.70 67.00 1fqv h VAL 58 Cb 0.63 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1fqv h VAL 58 CO 0.01 0.15 -0.86 0.40 0.02 0.00 0.00 177.57 177.29 1fqv h ILE 59 N 0.84 1.34 -0.22 4.57 2.04 -1.05 -1.69 117.51 123.33 1fqv h ILE 59 Ca 0.45 -2.20 -0.02 0.00 1.00 0.00 0.00 64.86 64.09 1fqv h ILE 59 Cb 0.56 2.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 1fqv h ILE 59 CO -0.22 0.67 0.05 -0.61 0.00 0.00 0.00 178.15 178.05 1fqv h GLN 60 N 0.36 0.36 -0.06 2.37 4.15 -0.54 0.24 115.11 122.00 1fqv h GLN 60 Ca -0.07 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.26 1fqv h GLN 60 Cb 1.49 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 29.13 1fqv h GLN 60 CO 0.16 0.47 0.03 2.35 -1.93 0.00 0.00 178.83 179.91 1fqv h TRP 61 N 0.18 0.08 -0.63 3.99 7.01 -0.79 -1.37 115.95 124.42 1fqv h TRP 61 Ca 0.07 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.04 1fqv h TRP 61 Cb 0.27 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.28 1fqv h TRP 61 CO 0.01 0.15 0.28 0.00 -2.79 0.00 0.00 178.44 176.09 1fqv h THR 63 N 0.90 0.91 -0.64 0.00 2.02 -0.72 0.22 112.91 115.60 1fqv h THR 63 Ca 0.22 -0.20 0.12 0.00 0.77 0.00 0.00 66.41 67.33 1fqv h THR 63 Cb 0.14 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1fqv h THR 63 CO -0.02 0.05 0.43 -0.74 0.37 0.00 0.00 175.52 175.61 1fqv h HIS 64 N -0.28 0.39 -0.55 3.16 6.17 -0.94 -0.44 115.15 122.66 1fqv h HIS 64 Ca -0.02 0.01 -0.33 0.00 0.71 0.00 0.00 60.37 60.74 1fqv h HIS 64 Cb 0.22 -0.12 -0.20 0.00 2.52 0.00 0.00 27.41 29.83 1fqv h HIS 64 CO -0.04 0.17 -0.01 0.72 0.71 0.00 0.00 177.93 179.48 1fqv n HIS 65 N -4.46 1.77 0.13 5.26 8.25 -0.64 -4.72 115.22 120.81 1fqv n HIS 65 Ca 0.11 -1.90 0.10 0.00 -0.26 0.00 0.00 57.72 55.78 1fqv n HIS 65 Cb 0.46 -0.63 0.59 0.00 1.12 0.00 0.00 29.99 31.53 1fqv n HIS 65 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1fqv h LYS 66 N 1.29 0.14 0.00 -0.41 2.10 0.12 -1.00 116.57 118.81 1fqv h LYS 66 Ca 0.33 -0.01 -0.11 0.00 -2.00 0.00 0.00 60.65 58.86 1fqv h LYS 66 Cb 1.67 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.95 1fqv h LYS 66 CO 0.66 0.10 -1.41 -0.25 -2.00 0.00 0.00 179.45 176.54 1fqv n ASP 67 N -4.49 0.72 -3.53 7.07 10.43 -1.26 -5.01 116.55 120.47 1fqv n ASP 67 Ca 0.02 0.30 0.00 0.00 2.57 0.00 0.00 54.79 57.68 1fqv n ASP 67 Cb 0.21 0.48 0.00 0.00 1.84 0.00 0.00 41.12 43.65 1fqv n ASP 67 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1fqv n ASP 68 N -2.75 0.00 -4.57 -2.24 9.92 -0.38 -5.26 116.55 111.27 1fqv n ASP 68 Ca -0.08 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.81 1fqv n ASP 68 Cb 0.74 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 41.11 1fqv n ASP 68 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1fqv s ILE 85 N 0.00 5.17 0.76 0.53 1.01 -1.26 -5.13 121.20 122.29 1fqv s ILE 85 Ca 0.00 0.11 -0.16 0.00 0.00 0.00 0.00 60.65 60.61 1fqv s ILE 85 Cb 0.00 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 1fqv s ILE 85 CO 0.00 0.26 0.44 -2.65 0.00 0.00 0.00 174.94 172.99 1fqv n PRO 86 N 5.04 0.19 -0.23 2.79 -0.02 -1.26 -4.76 135.00 136.76 1fqv n PRO 86 Ca -0.14 0.10 -0.08 0.00 -2.02 0.00 0.00 63.50 61.36 1fqv n PRO 86 Cb 0.52 -1.78 0.04 0.00 -0.02 0.00 0.00 33.50 32.26 1fqv n PRO 86 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1fqv h VAL 87 N -0.56 1.26 -0.09 -1.45 2.07 -2.05 -2.08 116.25 113.36 1fqv h VAL 87 Ca -0.45 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 65.98 1fqv h VAL 87 Cb 1.34 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1fqv h VAL 87 CO 0.41 0.40 0.05 -0.25 0.02 0.00 0.00 177.57 178.20 1fqv h TRP 88 N 1.02 0.12 -0.23 1.57 7.01 -1.99 -0.03 115.95 123.42 1fqv h TRP 88 Ca 0.19 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.22 1fqv h TRP 88 Cb 0.49 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.50 1fqv h TRP 88 CO 0.04 0.16 0.16 -0.44 -2.79 0.00 0.00 178.44 175.57 1fqv h ASP 89 N 0.04 0.15 -0.10 2.65 3.45 -1.89 1.05 116.42 121.77 1fqv h ASP 89 Ca 0.03 -0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.42 1fqv h ASP 89 Cb 0.09 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 1fqv h ASP 89 CO -0.00 0.11 -0.19 1.56 -1.57 0.00 0.00 179.24 179.14 1fqv h GLN 90 N 0.18 0.31 -0.64 3.56 4.20 -0.72 0.13 115.11 122.12 1fqv h GLN 90 Ca 0.10 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 1fqv h GLN 90 Cb 0.17 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 1fqv h GLN 90 CO -0.02 0.79 0.12 1.05 -0.67 0.00 0.00 178.83 180.10 1fqv h GLU 91 N -0.13 1.04 -0.31 1.46 -0.00 -0.01 -2.18 114.58 114.44 1fqv h GLU 91 Ca 0.00 -0.26 0.04 0.00 -0.00 0.00 0.00 59.36 59.15 1fqv h GLU 91 Cb 0.78 -0.13 -0.04 0.00 -0.00 0.00 0.00 28.75 29.36 1fqv h GLU 91 CO 0.04 0.94 0.08 0.35 -0.00 0.00 0.00 179.01 180.42 1fqv h PHE 92 N 0.98 0.13 -0.39 2.06 3.57 0.13 -1.76 116.94 121.66 1fqv h PHE 92 Ca 0.20 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.60 1fqv h PHE 92 Cb 0.40 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.06 1fqv h PHE 92 CO 0.03 0.04 0.15 1.28 -2.23 0.00 0.00 178.31 177.58 1fqv n LEU 93 N -5.07 4.11 -3.80 0.59 4.77 0.43 -4.54 117.00 113.49 1fqv n LEU 93 Ca 0.00 -2.12 -0.42 0.00 -0.03 0.00 0.00 56.01 53.44 1fqv n LEU 93 Cb 0.13 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1fqv n LEU 93 CO 0.26 0.60 1.91 1.17 -1.33 0.00 0.00 177.39 180.00 1fqv n LYS 94 N 0.02 3.98 -4.44 3.23 0.00 -0.66 -4.91 118.16 115.39 1fqv n LYS 94 Ca 0.22 -3.69 -0.22 0.00 0.00 0.00 0.00 58.31 54.61 1fqv n LYS 94 Cb 0.90 -2.80 -0.09 0.00 0.00 0.00 0.00 35.03 33.05 1fqv n LYS 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1fqv s VAL 95 N -0.51 0.68 0.72 3.15 -7.23 -1.26 -5.05 120.40 110.90 1fqv s VAL 95 Ca 0.41 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.46 1fqv s VAL 95 Cb 0.11 -2.52 0.03 0.00 0.56 0.00 0.00 36.38 34.55 1fqv s VAL 95 CO -0.00 0.00 1.09 1.51 -0.31 0.00 0.00 175.10 177.39 1fqv s ASP 96 N -3.50 4.85 0.28 4.85 3.84 -1.26 -4.80 116.67 120.94 1fqv s ASP 96 Ca 0.31 1.87 0.01 0.00 -0.00 0.00 0.00 52.55 54.74 1fqv s ASP 96 Cb 0.05 -2.53 0.65 0.00 -1.38 0.00 0.00 42.92 39.71 1fqv s ASP 96 CO 0.15 -1.80 1.67 1.56 -0.00 0.00 0.00 175.17 176.76 1fqv h GLN 97 N -0.60 0.28 -0.34 2.11 4.20 -1.99 -1.13 115.11 117.65 1fqv h GLN 97 Ca -0.45 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.28 1fqv h GLN 97 Cb 1.23 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.92 1fqv h GLN 97 CO 0.53 0.18 0.13 0.78 -0.67 0.00 0.00 178.83 179.78 1fqv h GLY 98 N 0.29 0.43 1.00 3.46 0.00 -1.98 0.98 103.07 107.24 1fqv h GLY 98 Ca 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1fqv h GLY 98 CO -0.58 0.04 0.31 -0.84 0.00 0.00 0.00 176.54 175.48 1fqv h THR 99 N 0.28 1.14 -0.36 4.70 2.02 -1.58 0.13 112.91 119.24 1fqv h THR 99 Ca 0.15 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 1fqv h THR 99 Cb 0.11 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1fqv h THR 99 CO -0.14 0.14 0.01 0.25 0.37 0.00 0.00 175.52 176.15 1fqv h LEU 100 N 0.67 0.53 -0.86 2.58 5.85 -0.97 0.18 115.31 123.30 1fqv h LEU 100 Ca 0.18 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 1fqv h LEU 100 Cb -0.04 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1fqv h LEU 100 CO -0.04 0.59 -0.44 0.15 -0.34 0.00 0.00 178.44 178.37 1fqv h PHE 101 N 0.54 0.35 -0.18 1.25 3.04 -0.05 -1.79 116.94 120.09 1fqv h PHE 101 Ca 0.12 -0.10 -0.17 0.00 3.98 0.00 0.00 57.97 61.80 1fqv h PHE 101 Cb 0.34 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.78 1fqv h PHE 101 CO 0.01 0.68 -0.53 0.93 -2.02 0.00 0.00 178.31 177.38 1fqv h GLU 102 N 0.24 0.68 -0.65 1.11 4.39 0.25 -3.03 114.58 117.58 1fqv h GLU 102 Ca 0.02 -0.49 -0.03 0.00 0.34 0.00 0.00 59.36 59.19 1fqv h GLU 102 Cb 0.87 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.57 1fqv h GLU 102 CO 0.07 1.11 0.27 -0.07 -1.16 0.00 0.00 179.01 179.24 1fqv h LEU 103 N 0.38 0.88 -1.29 1.33 3.38 -0.46 0.16 115.31 119.68 1fqv h LEU 103 Ca -0.01 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1fqv h LEU 103 Cb 1.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1fqv h LEU 103 CO 0.11 0.80 -0.07 0.40 0.09 0.00 0.00 178.44 179.77 1fqv h ILE 104 N 0.91 1.19 0.00 1.22 2.04 -1.40 1.05 117.51 122.53 1fqv h ILE 104 Ca 0.22 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 1fqv h ILE 104 Cb 0.18 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1fqv h ILE 104 CO -0.02 0.26 -0.00 -0.07 0.00 0.00 0.00 178.15 178.32 1fqv h LEU 105 N 0.37 -0.00 0.49 1.44 3.38 -1.31 -1.46 115.31 118.22 1fqv h LEU 105 Ca 0.08 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 1fqv h LEU 105 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1fqv h LEU 105 CO 0.02 0.58 -0.51 0.00 0.09 0.00 0.00 178.44 178.62 1fqv h ALA 106 N 0.41 -1.15 -0.84 1.53 0.00 -0.37 0.81 119.26 119.65 1fqv h ALA 106 Ca -0.00 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 54.93 1fqv h ALA 106 Cb 0.58 0.75 -0.14 0.00 0.00 0.00 0.00 17.79 18.98 1fqv h ALA 106 CO 0.00 -1.19 0.12 0.00 0.00 0.00 0.00 179.25 178.18 1fqv h ALA 107 N -0.87 1.05 -0.04 0.00 0.00 0.11 0.34 119.26 119.86 1fqv h ALA 107 Ca -0.06 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1fqv h ALA 107 Cb 0.88 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1fqv h ALA 107 CO -0.08 -0.45 -0.02 -0.97 0.00 0.00 0.00 179.25 177.73 1fqv h ASN 108 N 0.15 0.08 -0.30 0.00 -1.24 -0.31 0.15 115.58 114.11 1fqv h ASN 108 Ca 0.50 -0.40 0.03 0.00 0.71 0.00 0.00 56.30 57.14 1fqv h ASN 108 Cb 0.95 -0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.95 1fqv h ASN 108 CO -0.69 0.46 0.11 0.22 -1.29 0.00 0.00 177.43 176.24 1fqv h TYR 109 N -0.30 0.19 0.00 0.67 3.20 0.20 0.36 116.97 121.29 1fqv h TYR 109 Ca 0.01 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1fqv h TYR 109 Cb 0.43 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1fqv h TYR 109 CO 0.06 0.09 0.00 1.28 -1.64 0.00 0.00 178.16 177.95 1fqv n LEU 110 N -5.02 0.00 -3.52 2.82 4.77 0.11 -4.78 117.00 111.37 1fqv n LEU 110 Ca -0.00 0.28 -0.17 0.00 -0.03 0.00 0.00 56.01 56.09 1fqv n LEU 110 Cb 0.10 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1fqv n LEU 110 CO 0.29 -0.02 -0.05 -0.67 -1.33 0.00 0.00 177.39 175.60 1fqv n ASP 111 N -1.28 -5.89 -4.00 -1.43 2.03 0.14 -2.84 116.55 103.26 1fqv n ASP 111 Ca 0.13 -0.61 -0.32 0.00 0.52 0.00 0.00 54.79 54.51 1fqv n ASP 111 Cb 0.22 -2.92 -0.11 0.00 -0.72 0.00 0.00 41.12 37.59 1fqv n ASP 111 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1fqv s ILE 112 N -2.91 3.32 0.36 5.18 1.01 0.28 -2.94 121.20 125.50 1fqv s ILE 112 Ca 0.02 -3.63 0.18 0.00 0.00 0.00 0.00 60.65 57.23 1fqv s ILE 112 Cb -0.00 -3.17 0.35 0.00 0.01 0.00 0.00 42.46 39.65 1fqv s ILE 112 CO 0.85 -0.94 1.63 0.50 0.00 0.00 0.00 174.94 176.98 1fqv h LYS 113 N 6.20 0.17 -0.18 2.79 1.63 -1.86 0.35 116.57 125.66 1fqv h LYS 113 Ca 0.05 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1fqv h LYS 113 Cb 0.85 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.43 1fqv h LYS 113 CO 0.74 0.12 0.06 0.78 -3.45 0.00 0.00 179.45 177.69 1fqv h GLY 114 N 0.18 0.31 1.79 5.01 0.00 -1.93 -2.18 103.07 106.24 1fqv h GLY 114 Ca 0.79 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1fqv h GLY 114 CO -0.65 0.17 -0.19 -2.00 0.00 0.00 0.00 176.54 173.87 1fqv h LEU 115 N 0.12 0.00 -0.20 3.11 7.12 -1.57 -3.14 115.31 120.75 1fqv h LEU 115 Ca 0.06 -0.03 -0.21 0.00 0.13 0.00 0.00 57.88 57.83 1fqv h LEU 115 Cb 0.23 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.36 1fqv h LEU 115 CO -0.00 0.01 -0.69 0.25 -0.13 0.00 0.00 178.44 177.88 1fqv h LEU 116 N 0.00 0.96 0.18 2.25 6.46 -0.92 -2.99 115.31 121.24 1fqv h LEU 116 Ca 0.00 -0.59 -0.01 0.00 -0.12 0.00 0.00 57.88 57.16 1fqv h LEU 116 Cb 0.88 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.53 1fqv h LEU 116 CO 0.00 1.39 -0.08 -0.78 -0.62 0.00 0.00 178.44 178.34 1fqv h ASP 117 N 0.58 -0.20 0.17 1.25 3.58 -1.36 -1.80 116.42 118.64 1fqv h ASP 117 Ca -0.03 -0.06 -0.06 0.00 0.42 0.00 0.00 57.03 57.30 1fqv h ASP 117 Cb 1.31 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.40 1fqv h ASP 117 CO 0.15 -0.07 -0.25 -0.37 -2.88 0.00 0.00 179.24 175.82 1fqv h VAL 118 N -0.32 1.22 -0.11 2.25 -1.51 -1.63 -1.52 116.25 114.64 1fqv h VAL 118 Ca -0.02 -1.01 -0.11 0.00 -1.23 0.00 0.00 66.70 64.33 1fqv h VAL 118 Cb 0.25 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 1fqv h VAL 118 CO 0.04 0.30 -0.35 0.71 -1.23 0.00 0.00 177.57 177.04 1fqv h THR 119 N 0.13 1.39 -0.93 7.19 1.35 -1.47 -0.51 112.91 120.07 1fqv h THR 119 Ca 0.02 -1.68 -0.01 0.00 -0.55 0.00 0.00 66.41 64.20 1fqv h THR 119 Cb 0.51 2.17 -0.04 0.00 -1.73 0.00 0.00 68.15 69.06 1fqv h THR 119 CO 0.04 0.49 0.55 0.00 -0.25 0.00 0.00 175.52 176.35 1fqv h LYS 121 N 1.28 0.00 0.12 0.00 1.57 -1.20 -0.29 116.57 118.05 1fqv h LYS 121 Ca 0.33 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.82 1fqv h LYS 121 Cb -0.04 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.30 1fqv h LYS 121 CO -0.06 0.00 -1.24 1.15 -0.57 0.00 0.00 179.45 178.73 1fqv h THR 122 N 0.00 1.30 -0.19 -0.16 2.02 0.06 -1.48 112.91 114.46 1fqv h THR 122 Ca 0.00 -2.51 -0.16 0.00 0.77 0.00 0.00 66.41 64.51 1fqv h THR 122 Cb 0.64 2.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.75 1fqv h THR 122 CO 0.00 0.76 -0.55 0.58 0.37 0.00 0.00 175.52 176.68 1fqv h VAL 123 N 0.26 1.32 -0.31 3.16 2.07 -0.96 -2.53 116.25 119.27 1fqv h VAL 123 Ca -0.18 -1.80 -0.01 0.00 0.82 0.00 0.00 66.70 65.53 1fqv h VAL 123 Cb 1.91 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 33.44 1fqv h VAL 123 CO 0.23 0.56 0.17 0.00 0.02 0.00 0.00 177.57 178.55 1fqv h ALA 124 N 0.96 0.39 0.00 1.67 0.00 -1.05 -1.31 119.26 119.93 1fqv h ALA 124 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1fqv h ALA 124 Cb 1.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1fqv h ALA 124 CO 0.10 -0.08 0.00 -0.91 0.00 0.00 0.00 179.25 178.36 1fqv h ASN 125 N 0.38 0.00 0.29 0.00 -0.26 -1.10 -1.87 115.58 113.02 1fqv h ASN 125 Ca 0.11 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 55.51 1fqv h ASN 125 Cb 0.06 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.34 1fqv h ASN 125 CO -0.02 0.00 -1.56 0.24 -1.06 0.00 0.00 177.43 175.03 1fqv h MET 126 N 0.00 0.44 -0.44 0.81 2.86 -0.83 -3.32 114.93 114.44 1fqv h MET 126 Ca 0.00 -0.76 -0.03 0.00 -2.06 0.00 0.00 59.70 56.85 1fqv h MET 126 Cb 0.27 0.28 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1fqv h MET 126 CO 0.00 1.35 0.14 0.82 1.06 0.00 0.00 176.91 180.29 1fqv h ILE 127 N 0.12 1.22 -2.13 -1.22 2.04 -0.63 -3.40 117.51 113.51 1fqv h ILE 127 Ca -0.28 -0.73 -0.62 0.00 1.00 0.00 0.00 64.86 64.23 1fqv h ILE 127 Cb 2.12 0.86 0.07 0.00 -0.74 0.00 0.00 36.82 39.12 1fqv h ILE 127 CO 0.23 0.26 0.55 0.29 0.00 0.00 0.00 178.15 179.48 1fqv n LYS 128 N -4.56 1.65 0.00 2.37 5.02 -0.77 -2.08 118.16 119.79 1fqv n LYS 128 Ca 0.01 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 1fqv n LYS 128 Cb 0.18 -2.24 0.00 0.00 -0.02 0.00 0.00 35.03 32.95 1fqv n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fqv n GLY 129 N 2.60 2.49 3.75 0.72 0.00 -1.26 -4.98 105.19 108.50 1fqv n GLY 129 Ca 0.16 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 1fqv n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fqv s LYS 130 N 0.00 3.18 0.76 1.61 1.02 -0.88 -5.03 119.74 120.40 1fqv s LYS 130 Ca 0.00 2.05 -0.07 0.00 0.02 0.00 0.00 55.97 57.98 1fqv s LYS 130 Cb 0.00 -2.19 0.11 0.00 -0.52 0.00 0.00 37.83 35.23 1fqv s LYS 130 CO 0.00 -1.10 1.06 0.95 -0.92 0.00 0.00 175.35 175.34 1fqv s THR 131 N -1.41 2.20 0.50 2.17 -4.23 -1.26 -4.83 115.64 108.78 1fqv s THR 131 Ca 0.72 -0.33 0.20 0.00 -1.18 0.00 0.00 61.69 61.10 1fqv s THR 131 Cb -0.36 -2.87 0.35 0.00 1.34 0.00 0.00 72.50 70.96 1fqv s THR 131 CO 0.42 0.00 2.03 -0.65 -0.54 0.00 0.00 174.62 175.87 1fqv h PRO 132 N -0.77 0.10 0.02 3.99 0.11 -1.96 -1.15 132.00 132.34 1fqv h PRO 132 Ca -0.42 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 1fqv h PRO 132 Cb 1.28 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1fqv h PRO 132 CO 0.49 0.07 -0.01 1.49 -0.21 0.00 0.00 178.00 179.83 1fqv h GLU 133 N 0.11 -0.03 0.00 1.05 4.57 -2.00 -2.35 114.58 115.93 1fqv h GLU 133 Ca 0.20 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 1fqv h GLU 133 Cb 0.65 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1fqv h GLU 133 CO -0.02 0.52 -0.03 0.93 -1.18 0.00 0.00 179.01 179.23 1fqv h GLU 134 N -0.59 0.00 0.13 1.92 5.08 -1.81 -1.27 114.58 118.05 1fqv h GLU 134 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 1fqv h GLU 134 Cb 0.56 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.84 1fqv h GLU 134 CO 0.00 0.03 -1.16 0.82 -1.00 0.00 0.00 179.01 177.70 1fqv h ILE 135 N 0.00 1.33 -0.39 3.13 2.04 -1.14 -2.70 117.51 119.78 1fqv h ILE 135 Ca -0.00 -2.46 -0.01 0.00 1.00 0.00 0.00 64.86 63.38 1fqv h ILE 135 Cb 0.13 2.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.99 1fqv h ILE 135 CO 0.00 0.74 0.19 0.03 0.00 0.00 0.00 178.15 179.11 1fqv h ARG 136 N 0.14 0.56 0.00 2.37 3.08 -0.76 -2.53 114.38 117.23 1fqv h ARG 136 Ca -0.18 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1fqv h ARG 136 Cb 1.86 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.81 1fqv h ARG 136 CO 0.22 0.49 0.00 1.63 -1.07 0.00 0.00 179.97 181.24 1fqv n LYS 137 N -4.71 0.00 0.00 0.04 5.02 -0.57 0.99 118.16 118.93 1fqv n LYS 137 Ca -0.00 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 1fqv n LYS 137 Cb 0.11 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1fqv n LYS 137 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1fqv n THR 138 N -2.10 0.00 1.07 -0.18 -2.24 -1.02 -1.49 114.28 108.32 1fqv n THR 138 Ca 0.00 1.32 0.08 0.00 -2.27 0.00 0.00 64.05 63.18 1fqv n THR 138 Cb 0.00 -1.89 0.49 0.00 -2.10 0.00 0.00 70.33 66.83 1fqv n THR 138 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1fqv n PHE 139 N -2.14 0.00 -3.10 4.78 0.99 -0.96 -4.92 117.46 112.12 1fqv n PHE 139 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.30 1fqv n PHE 139 Cb 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 39.48 38.50 1fqv n PHE 139 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1fqv n ASN 140 N -0.98 -6.95 -4.17 4.37 5.15 0.28 -5.00 115.26 107.96 1fqv n ASN 140 Ca 0.12 0.47 -0.28 0.00 -0.60 0.00 0.00 54.58 54.29 1fqv n ASN 140 Cb 0.06 -3.51 -0.16 0.00 -0.53 0.00 0.00 39.78 35.63 1fqv n ASN 140 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1fqv s ILE 141 N -1.77 1.66 0.25 -1.44 -1.09 -0.36 -5.01 121.20 113.43 1fqv s ILE 141 Ca 0.20 -0.82 -0.30 0.00 -2.23 0.00 0.00 60.65 57.50 1fqv s ILE 141 Cb -0.03 -1.43 -0.09 0.00 -1.58 0.00 0.00 42.46 39.33 1fqv s ILE 141 CO 0.67 0.47 1.25 -0.75 -1.23 0.00 0.00 174.94 175.34 1fqv s LYS 142 N 0.15 4.45 -0.68 2.79 2.20 -1.26 -4.80 119.74 122.58 1fqv s LYS 142 Ca -0.08 2.02 -0.25 0.00 -0.36 0.00 0.00 55.97 57.30 1fqv s LYS 142 Cb -0.14 -3.16 0.04 0.00 -1.51 0.00 0.00 37.83 33.06 1fqv s LYS 142 CO 0.04 -0.11 1.14 1.21 -0.36 0.00 0.00 175.35 177.27 1fqv s ASN 143 N -0.18 6.21 0.13 1.43 3.84 -1.26 -4.81 114.94 120.30 1fqv s ASN 143 Ca 0.51 -0.56 0.24 0.00 0.21 0.00 0.00 52.86 53.27 1fqv s ASN 143 Cb -0.36 -2.50 0.93 0.00 -0.55 0.00 0.00 41.25 38.77 1fqv s ASN 143 CO 0.43 -1.62 1.75 0.47 -2.79 0.00 0.00 177.10 175.34 1fqv n ASP 144 N 8.57 0.42 -4.81 -4.21 8.00 -1.26 -4.88 116.55 118.39 1fqv n ASP 144 Ca 0.01 0.56 -0.33 0.00 0.71 0.00 0.00 54.79 55.74 1fqv n ASP 144 Cb 0.48 -0.67 -0.02 0.00 -0.02 0.00 0.00 41.12 40.88 1fqv n ASP 144 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1fqv s PHE 145 N -3.10 3.11 -0.01 1.24 2.99 -1.26 -5.07 117.98 115.87 1fqv s PHE 145 Ca 0.10 1.54 -0.02 0.00 0.00 0.00 0.00 56.93 58.54 1fqv s PHE 145 Cb 0.13 -2.98 -0.04 0.00 0.00 0.00 0.00 43.02 40.13 1fqv s PHE 145 CO 0.48 -0.76 0.16 0.99 -0.00 0.00 0.00 175.22 176.09 1fqv s THR 146 N -2.26 5.28 0.65 0.64 2.01 -1.26 -4.97 115.64 115.73 1fqv s THR 146 Ca 0.64 -0.21 0.38 0.00 0.31 0.00 0.00 61.69 62.81 1fqv s THR 146 Cb -0.14 -3.45 0.38 0.00 0.01 0.00 0.00 72.50 69.30 1fqv s THR 146 CO 0.26 0.33 2.17 -0.33 -0.69 0.00 0.00 174.62 176.36 1fqv h GLU 147 N 3.89 0.00 0.00 4.92 5.08 -1.99 0.28 114.58 126.76 1fqv h GLU 147 Ca -0.49 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.70 1fqv h GLU 147 Cb 1.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1fqv h GLU 147 CO 0.67 0.00 -1.13 1.49 -1.00 0.00 0.00 179.01 179.04 1fqv h GLU 148 N 0.00 0.00 0.15 2.33 4.81 -1.99 -3.03 114.58 116.85 1fqv h GLU 148 Ca 0.00 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.92 1fqv h GLU 148 Cb 0.29 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.70 1fqv h GLU 148 CO 0.00 0.49 -1.30 0.93 -0.73 0.00 0.00 179.01 178.39 1fqv h GLU 149 N 0.00 0.61 0.00 1.92 5.08 -0.91 -2.76 114.58 118.53 1fqv h GLU 149 Ca -0.11 -0.86 0.00 0.00 -1.00 0.00 0.00 59.36 57.38 1fqv h GLU 149 Cb 1.62 0.29 0.00 0.00 0.50 0.00 0.00 28.75 31.16 1fqv h GLU 149 CO 0.07 1.40 0.00 0.93 -1.00 0.00 0.00 179.01 180.41 1fqv h GLU 150 N 0.25 0.00 -0.07 2.33 5.08 -1.25 0.36 114.58 121.27 1fqv h GLU 150 Ca -0.21 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 1fqv h GLU 150 Cb 1.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1fqv h GLU 150 CO 0.25 0.00 -0.25 0.00 -1.00 0.00 0.00 179.01 178.01 1fqv h ALA 151 N 2.04 0.13 -0.13 3.43 0.00 -1.39 -2.42 119.26 120.91 1fqv h ALA 151 Ca 0.00 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 1fqv h ALA 151 Cb 0.33 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1fqv h ALA 151 CO 0.00 0.12 -0.22 0.37 0.00 0.00 0.00 179.25 179.52 1fqv h GLN 152 N -0.20 0.38 -0.58 0.00 4.15 -1.01 -1.25 115.11 116.60 1fqv h GLN 152 Ca -0.01 -0.24 0.11 0.00 0.77 0.00 0.00 58.65 59.28 1fqv h GLN 152 Cb 0.88 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 28.51 1fqv h GLN 152 CO 0.05 0.82 0.12 0.28 -1.93 0.00 0.00 178.83 178.18 1fqv h VAL 153 N -0.02 0.66 -0.87 2.39 2.07 -1.07 0.81 116.25 120.21 1fqv h VAL 153 Ca 0.01 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1fqv h VAL 153 Cb 0.80 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1fqv h VAL 153 CO 0.05 0.05 0.49 -0.09 0.02 0.00 0.00 177.57 178.09 1fqv h ARG 154 N 0.25 1.20 -0.20 1.57 2.43 -1.33 -2.19 114.38 116.10 1fqv h ARG 154 Ca 0.30 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 1fqv h ARG 154 Cb 0.44 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1fqv h ARG 154 CO -0.39 0.87 -0.03 -0.22 -1.51 0.00 0.00 179.97 178.69 1fqv h LYS 155 N 1.20 0.37 0.00 0.20 3.64 0.32 -2.52 116.57 119.79 1fqv h LYS 155 Ca 0.31 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1fqv h LYS 155 Cb 0.00 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1fqv h LYS 155 CO -0.05 0.60 0.00 0.93 -2.27 0.00 0.00 179.45 178.66 1fqv h GLU 156 N 0.11 0.00 -0.01 1.90 5.08 0.83 -2.58 114.58 119.91 1fqv h GLU 156 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1fqv h GLU 156 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1fqv h GLU 156 CO 0.02 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.12 1fqv n ASN 157 N -2.39 2.27 -0.06 1.42 3.02 -0.85 -4.71 115.26 113.96 1fqv n ASN 157 Ca -0.02 -2.69 -0.12 0.00 -0.03 0.00 0.00 54.58 51.73 1fqv n ASN 157 Cb 0.05 -0.28 -0.06 0.00 -0.61 0.00 0.00 39.78 38.88 1fqv n ASN 157 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1fqv h GLN 158 N 0.07 0.31 -1.61 3.52 4.20 -1.05 -3.14 115.11 117.40 1fqv h GLN 158 Ca 0.00 -0.09 0.50 0.00 0.06 0.00 0.00 58.65 59.11 1fqv h GLN 158 Cb 0.83 -0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.48 1fqv h GLN 158 CO 0.00 0.51 1.11 0.11 -0.67 0.00 0.00 178.83 179.90 1fqv h TRP 159 N 0.07 0.25 0.00 2.96 5.08 -1.84 -3.52 115.95 118.94 1fqv h TRP 159 Ca 0.05 0.01 0.00 0.00 1.08 0.00 0.00 58.89 60.03 1fqv h TRP 159 Cb 0.37 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 26.47 1fqv h TRP 159 CO 0.03 -0.11 0.00 0.00 -1.28 0.00 0.00 178.44 177.08