#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 2.88 -0.08 0.58 0.15 -1.26 -1.83 113.70 114.13 1fqv s SER 3 Ca 0.00 -0.78 -0.10 0.00 0.70 0.00 0.00 55.95 55.76 1fqv s SER 3 Cb 0.00 -0.18 0.02 0.00 -1.71 0.00 0.00 66.02 64.16 1fqv s SER 3 CO 0.00 0.06 0.27 -0.63 1.20 0.00 0.00 173.24 174.15 1fqv s ILE 4 N -1.50 0.02 -0.19 6.45 -1.09 -0.47 -4.71 121.20 119.71 1fqv s ILE 4 Ca 0.13 -0.14 -0.08 0.00 -2.23 0.00 0.00 60.65 58.32 1fqv s ILE 4 Cb -0.08 -0.44 -0.04 0.00 -1.58 0.00 0.00 42.46 40.31 1fqv s ILE 4 CO 0.06 -0.08 0.09 -0.54 -1.23 0.00 0.00 174.94 173.24 1fqv s LYS 5 N -0.24 4.05 0.02 2.79 1.02 -1.25 -1.14 119.74 125.00 1fqv s LYS 5 Ca -0.04 -0.30 0.02 0.00 0.02 0.00 0.00 55.97 55.67 1fqv s LYS 5 Cb -0.03 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 1fqv s LYS 5 CO 0.01 0.28 0.04 -0.51 -0.92 0.00 0.00 175.35 174.25 1fqv s LEU 6 N 0.38 3.69 -0.22 3.17 1.43 0.36 -1.40 118.68 126.09 1fqv s LEU 6 Ca 0.05 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 1fqv s LEU 6 Cb -0.12 -2.21 0.05 0.00 0.03 0.00 0.00 46.19 43.94 1fqv s LEU 6 CO -0.01 0.24 -0.10 -1.58 0.23 0.00 0.00 176.35 175.13 1fqv s GLN 7 N -1.87 2.08 0.73 1.70 0.74 -0.30 -1.09 119.66 121.65 1fqv s GLN 7 Ca 0.23 -1.00 -0.14 0.00 0.05 0.00 0.00 55.36 54.50 1fqv s GLN 7 Cb -0.12 -2.59 0.04 0.00 1.10 0.00 0.00 33.01 31.45 1fqv s GLN 7 CO 0.15 -0.48 1.18 -1.54 -0.55 0.00 0.00 175.29 174.05 1fqv s SER 8 N 1.31 4.27 0.00 6.67 1.04 0.27 -1.60 113.70 125.66 1fqv s SER 8 Ca -0.04 2.25 0.00 0.00 0.48 0.00 0.00 55.95 58.65 1fqv s SER 8 Cb -0.17 -2.58 0.03 0.00 0.10 0.00 0.00 66.02 63.39 1fqv s SER 8 CO -0.07 -2.21 0.67 -1.54 0.98 0.00 0.00 173.24 171.07 1fqv n SER 9 N -2.82 0.00 -0.93 7.02 3.41 0.86 -2.10 113.62 119.06 1fqv n SER 9 Ca 0.13 0.14 0.05 0.00 -0.26 0.00 0.00 58.87 58.92 1fqv n SER 9 Cb 0.51 -0.15 0.10 0.00 -0.26 0.00 0.00 64.21 64.41 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 -1.15 1.26 0.00 4.04 3.85 -1.26 -4.95 116.55 118.34 1fqv n ASP 10 Ca 0.00 -2.77 0.00 0.00 -0.71 0.00 0.00 54.79 51.31 1fqv n ASP 10 Cb 0.00 -0.38 0.00 0.00 -1.35 0.00 0.00 41.12 39.39 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 -0.31 3.27 3.68 6.12 0.00 -0.89 -4.95 105.19 112.10 1fqv n GLY 11 Ca 0.11 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 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 1.70 -4.10 1.61 1.02 -1.26 -4.66 120.64 114.95 1fqv n GLU 12 Ca 0.00 0.61 -0.32 0.00 -0.02 0.00 0.00 57.16 57.42 1fqv n GLU 12 Cb 0.00 -2.30 -0.16 0.00 -0.02 0.00 0.00 31.44 28.97 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 -1.24 2.04 -0.12 -3.67 1.01 -1.26 -0.57 121.20 117.39 1fqv s ILE 13 Ca 0.63 -1.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 1fqv s ILE 13 Cb -0.51 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 1fqv s ILE 13 CO 0.56 0.37 -0.07 -0.36 0.00 0.00 0.00 174.94 175.45 1fqv s PHE 14 N 1.26 2.95 -0.49 3.97 0.40 -0.25 -4.90 117.98 120.92 1fqv s PHE 14 Ca 0.01 -0.23 -0.17 0.00 -0.60 0.00 0.00 56.93 55.94 1fqv s PHE 14 Cb -0.15 -1.84 0.07 0.00 0.51 0.00 0.00 43.02 41.60 1fqv s PHE 14 CO -0.11 0.08 0.50 -1.21 0.70 0.00 0.00 175.22 175.18 1fqv s GLU 15 N -0.09 3.04 0.28 0.44 2.02 -1.26 -0.48 118.70 122.65 1fqv s GLU 15 Ca 0.01 -1.14 0.07 0.00 0.02 0.00 0.00 54.97 53.93 1fqv s GLU 15 Cb -0.13 -4.12 -0.03 0.00 0.10 0.00 0.00 34.13 29.94 1fqv s GLU 15 CO 0.03 -1.12 0.20 0.14 0.02 0.00 0.00 175.26 174.53 1fqv s VAL 16 N 2.09 4.10 0.27 2.63 -7.23 -0.29 -4.89 120.40 117.09 1fqv s VAL 16 Ca 0.09 -1.45 -0.29 0.00 -1.81 0.00 0.00 61.98 58.52 1fqv s VAL 16 Cb -0.22 -3.29 -0.09 0.00 0.56 0.00 0.00 36.38 33.33 1fqv s VAL 16 CO 0.09 -0.30 1.21 -0.62 -0.31 0.00 0.00 175.10 175.17 1fqv s ASP 17 N -3.87 7.03 0.40 4.85 -1.08 -1.26 -1.37 116.67 121.37 1fqv s ASP 17 Ca 0.35 2.42 0.14 0.00 -0.52 0.00 0.00 52.55 54.94 1fqv s ASP 17 Cb -0.07 -2.63 0.99 0.00 -1.46 0.00 0.00 42.92 39.75 1fqv s ASP 17 CO 0.25 -0.36 1.86 -0.37 0.52 0.00 0.00 175.17 177.08 1fqv h VAL 18 N 3.26 0.74 -0.07 1.11 -1.51 -1.64 0.26 116.25 118.39 1fqv h VAL 18 Ca -0.47 -0.17 -0.14 0.00 -1.23 0.00 0.00 66.70 64.68 1fqv h VAL 18 Cb 1.22 0.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.56 1fqv h VAL 18 CO 0.69 0.09 -0.60 -0.08 -1.23 0.00 0.00 177.57 176.44 1fqv h GLU 19 N 0.51 0.24 0.20 5.19 4.57 -1.91 -0.67 114.58 122.70 1fqv h GLU 19 Ca 0.45 -0.16 -0.32 0.00 -1.18 0.00 0.00 59.36 58.16 1fqv h GLU 19 Cb 0.98 0.02 0.03 0.00 -0.16 0.00 0.00 28.75 29.62 1fqv h GLU 19 CO -0.19 0.76 -1.37 0.82 -1.18 0.00 0.00 179.01 177.85 1fqv h ILE 20 N 0.18 1.32 -0.19 2.32 2.04 -1.52 -3.26 117.51 118.40 1fqv h ILE 20 Ca -0.01 -2.70 -0.09 0.00 1.00 0.00 0.00 64.86 63.07 1fqv h ILE 20 Cb 1.10 2.93 -0.01 0.00 -0.74 0.00 0.00 36.82 40.09 1fqv h ILE 20 CO 0.09 0.81 -0.29 0.00 0.00 0.00 0.00 178.15 178.76 1fqv h ALA 21 N 0.27 1.16 0.00 1.87 0.00 -1.00 -2.00 119.26 119.57 1fqv h ALA 21 Ca -0.22 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1fqv h ALA 21 Cb 2.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1fqv h ALA 21 CO 0.25 0.54 0.00 -0.22 0.00 0.00 0.00 179.25 179.82 1fqv h LYS 22 N 0.32 0.00 0.00 0.00 3.11 -1.15 -1.66 116.57 117.18 1fqv h LYS 22 Ca 0.04 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 1fqv h LYS 22 Cb 0.67 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.90 1fqv h LYS 22 CO 0.05 0.00 0.00 1.96 -2.81 0.00 0.00 179.45 178.65 1fqv h GLN 23 N 0.00 0.00 -4.68 1.90 4.20 -1.40 -3.37 115.11 111.76 1fqv h GLN 23 Ca 0.00 0.00 -0.69 0.00 0.06 0.00 0.00 58.65 58.02 1fqv h GLN 23 Cb 0.15 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 27.73 1fqv h GLN 23 CO 0.00 0.00 -0.41 0.45 -0.67 0.00 0.00 178.83 178.20 1fqv s SER 24 N -4.37 6.11 0.27 1.46 0.15 -0.63 -4.60 113.70 112.09 1fqv s SER 24 Ca -0.03 -0.61 -0.01 0.00 0.70 0.00 0.00 55.95 56.00 1fqv s SER 24 Cb 0.08 -2.16 0.50 0.00 -1.71 0.00 0.00 66.02 62.73 1fqv s SER 24 CO 0.26 -0.37 1.83 0.58 1.20 0.00 0.00 173.24 176.74 1fqv h VAL 25 N 5.57 0.92 0.91 4.45 2.07 -1.27 0.63 116.25 129.54 1fqv h VAL 25 Ca -0.29 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1fqv h VAL 25 Cb 1.14 -0.10 0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1fqv h VAL 25 CO 0.69 0.17 -0.44 0.74 0.02 0.00 0.00 177.57 178.76 1fqv h THR 26 N 0.94 0.00 0.00 2.57 2.02 -1.73 0.20 112.91 116.91 1fqv h THR 26 Ca 0.47 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.58 1fqv h THR 26 Cb 0.44 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1fqv h THR 26 CO -0.26 0.00 -0.01 0.40 0.37 0.00 0.00 175.52 176.02 1fqv h ILE 27 N -1.28 0.36 -0.02 3.11 2.04 -1.66 -2.62 117.51 117.45 1fqv h ILE 27 Ca -0.12 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 1fqv h ILE 27 Cb 0.93 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1fqv h ILE 27 CO 0.20 0.01 -0.11 0.50 0.00 0.00 0.00 178.15 178.75 1fqv h LYS 28 N 0.00 0.11 -0.86 2.37 3.64 0.69 -2.75 116.57 119.77 1fqv h LYS 28 Ca -0.00 -0.09 0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1fqv h LYS 28 Cb 0.02 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 1fqv h LYS 28 CO 0.00 0.78 0.56 0.00 -2.27 0.00 0.00 179.45 178.52 1fqv h THR 29 N -0.53 1.13 0.12 1.00 1.03 -0.60 -2.86 112.91 112.20 1fqv h THR 29 Ca -0.01 -0.36 -0.01 0.00 -0.01 0.00 0.00 66.41 66.02 1fqv h THR 29 Cb 0.80 -0.02 0.00 0.00 -1.07 0.00 0.00 68.15 67.87 1fqv h THR 29 CO 0.02 0.19 -0.06 0.24 -0.01 0.00 0.00 175.52 175.91 1fqv h MET 30 N 1.06 -0.16 0.00 0.00 2.86 -1.55 0.29 114.93 117.42 1fqv h MET 30 Ca 0.34 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 1fqv h MET 30 Cb 0.04 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1fqv h MET 30 CO -0.10 0.14 0.03 1.28 1.06 0.00 0.00 176.91 179.31 1fqv n LEU 31 N -5.03 0.00 0.00 1.22 4.77 -1.04 -1.73 117.00 115.19 1fqv n LEU 31 Ca -0.09 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1fqv n LEU 31 Cb 0.20 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1fqv n LEU 31 CO 0.33 -0.24 0.00 -0.62 -1.33 0.00 0.00 177.39 175.53 1fqv n GLU 32 N -1.22 0.00 0.00 3.23 1.02 -1.01 -3.96 120.64 118.70 1fqv n GLU 32 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1fqv n GLU 32 Cb 0.03 -0.08 0.00 0.00 -0.02 0.00 0.00 31.44 31.36 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 -1.89 0.04 0.00 1.62 9.92 0.97 -2.62 116.55 124.60 1fqv n ASP 33 Ca 0.00 -0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.09 1fqv n ASP 33 Cb 0.00 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 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 -0.06 0.00 -3.85 0.64 4.77 -0.71 -4.97 117.00 112.82 1fqv n LEU 34 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 1fqv n LEU 34 Cb 0.01 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1fqv n LEU 34 CO 0.00 0.00 -0.11 0.61 -1.33 0.00 0.00 177.39 176.56 1fqv n GLY 35 N -0.10 -0.94 3.80 -0.72 0.00 -1.02 -4.97 105.19 101.25 1fqv n GLY 35 Ca 0.00 0.41 -0.27 0.00 0.00 0.00 0.00 46.02 46.16 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 -6.57 2.93 0.00 1.61 1.00 -1.26 -5.06 119.30 111.95 1fqv s MET 36 Ca 0.47 -0.84 0.00 0.00 0.00 0.00 0.00 55.69 55.33 1fqv s MET 36 Cb -0.21 -2.67 0.00 0.00 0.00 0.00 0.00 34.83 31.95 1fqv s MET 36 CO 0.91 0.50 0.00 -0.25 0.00 0.00 0.00 175.02 176.18 1fqv n ASP 43 N -0.27 0.00 -4.58 3.03 9.92 -1.26 -4.54 116.55 118.84 1fqv n ASP 43 Ca -0.08 0.08 -0.31 0.00 -0.53 0.00 0.00 54.79 53.95 1fqv n ASP 43 Cb 0.54 -0.16 -0.05 0.00 -0.64 0.00 0.00 41.12 40.81 1fqv n ASP 43 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 1fqv s PRO 44 N -0.32 2.76 -0.26 -0.24 0.02 -1.26 -3.94 135.00 131.77 1fqv s PRO 44 Ca 0.00 -1.27 -0.36 0.00 0.02 0.00 0.00 61.00 59.38 1fqv s PRO 44 Cb 0.00 -5.29 -0.13 0.00 0.02 0.00 0.00 34.50 29.11 1fqv s PRO 44 CO 0.00 -3.65 1.98 0.28 -0.33 0.00 0.00 177.00 175.28 1fqv n VAL 45 N 7.56 0.34 -2.19 3.83 0.31 -0.49 -4.69 118.33 122.99 1fqv n VAL 45 Ca 0.45 -0.16 -0.43 0.00 -0.01 0.00 0.00 64.34 64.19 1fqv n VAL 45 Cb 0.47 -1.61 -0.02 0.00 -0.91 0.00 0.00 33.84 31.76 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 4.89 3.81 -0.65 5.55 0.02 -1.26 -1.15 135.00 146.20 1fqv s PRO 46 Ca 1.02 1.54 0.06 0.00 0.02 0.00 0.00 61.00 63.63 1fqv s PRO 46 Cb -0.86 -4.00 0.24 0.00 0.02 0.00 0.00 34.50 29.90 1fqv s PRO 46 CO 0.54 -1.27 0.73 1.28 -0.33 0.00 0.00 177.00 177.95 1fqv n LEU 47 N 8.30 3.72 0.19 -5.54 4.77 -0.63 -4.93 117.00 122.89 1fqv n LEU 47 Ca 0.18 -5.42 0.13 0.00 -0.03 0.00 0.00 56.01 50.87 1fqv n LEU 47 Cb 0.46 -0.69 0.66 0.00 -2.33 0.00 0.00 43.42 41.52 1fqv n LEU 47 CO 0.64 2.02 0.90 1.55 -1.33 0.00 0.00 177.39 181.17 1fqv h PRO 48 N 4.34 0.00 -0.51 3.23 0.13 -1.88 -1.51 132.00 135.80 1fqv h PRO 48 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1fqv h PRO 48 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1fqv h PRO 48 CO 0.83 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.69 1fqv n ASN 49 N -2.41 3.61 -3.82 1.44 3.02 -1.26 -4.59 115.26 111.25 1fqv n ASN 49 Ca -0.01 -1.99 -0.22 0.00 -0.03 0.00 0.00 54.58 52.33 1fqv n ASN 49 Cb 0.10 -0.34 -0.17 0.00 -0.61 0.00 0.00 39.78 38.76 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 -1.27 0.48 0.92 2.41 1.01 -1.13 -4.84 120.40 117.98 1fqv s VAL 50 Ca 0.41 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.26 1fqv s VAL 50 Cb 0.23 -0.58 0.17 0.00 0.00 0.00 0.00 36.38 36.20 1fqv s VAL 50 CO 0.31 0.26 1.28 0.54 0.00 0.00 0.00 175.10 177.49 1fqv s ASN 51 N 1.61 3.44 0.40 3.32 4.22 -1.26 -0.10 114.94 126.56 1fqv s ASN 51 Ca -0.00 0.33 0.09 0.00 -2.14 0.00 0.00 52.86 51.14 1fqv s ASN 51 Cb -0.13 -0.48 0.83 0.00 1.28 0.00 0.00 41.25 42.75 1fqv s ASN 51 CO -0.04 -2.53 1.97 0.00 -2.04 0.00 0.00 177.10 174.45 1fqv h ALA 52 N -1.48 1.58 0.23 3.54 0.00 -1.92 -1.79 119.26 119.43 1fqv h ALA 52 Ca -0.44 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1fqv h ALA 52 Cb 1.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1fqv h ALA 52 CO 0.43 0.31 -0.11 0.00 0.00 0.00 0.00 179.25 179.88 1fqv h ALA 53 N 1.69 -0.31 -0.38 0.00 0.00 -2.00 -2.77 119.26 115.49 1fqv h ALA 53 Ca 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1fqv h ALA 53 Cb 0.24 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1fqv h ALA 53 CO 0.01 -0.45 0.13 0.82 0.00 0.00 0.00 179.25 179.75 1fqv h ILE 54 N -0.76 1.21 -0.99 0.00 1.08 -1.94 -2.80 117.51 113.31 1fqv h ILE 54 Ca -0.03 -0.67 0.03 0.00 -0.39 0.00 0.00 64.86 63.81 1fqv h ILE 54 Cb 0.50 0.93 -0.06 0.00 -3.07 0.00 0.00 36.82 35.12 1fqv h ILE 54 CO 0.05 0.23 0.65 0.25 -0.69 0.00 0.00 178.15 178.64 1fqv h LEU 55 N 0.47 1.08 -1.45 1.44 6.46 -1.42 0.14 115.31 122.03 1fqv h LEU 55 Ca 0.12 -0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.89 1fqv h LEU 55 Cb 0.24 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.89 1fqv h LEU 55 CO -0.01 0.74 0.38 0.50 -0.62 0.00 0.00 178.44 179.44 1fqv h LYS 56 N 1.26 0.73 0.03 1.25 3.64 -1.32 0.51 116.57 122.67 1fqv h LYS 56 Ca 0.39 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1fqv h LYS 56 Cb -0.01 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1fqv h LYS 56 CO -0.12 0.48 -0.01 0.87 -2.27 0.00 0.00 179.45 178.40 1fqv h LYS 57 N 0.75 -0.04 -0.55 1.90 1.79 -0.66 -1.83 116.57 117.93 1fqv h LYS 57 Ca 0.22 0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.79 1fqv h LYS 57 Cb -0.04 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 30.54 1fqv h LYS 57 CO -0.05 0.44 0.12 0.28 -1.08 0.00 0.00 179.45 179.15 1fqv h VAL 58 N -0.54 0.69 -0.58 0.50 2.07 -0.19 0.32 116.25 118.52 1fqv h VAL 58 Ca -0.00 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 1fqv h VAL 58 Cb 0.50 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1fqv h VAL 58 CO 0.01 0.05 0.11 0.40 0.02 0.00 0.00 177.57 178.15 1fqv h ILE 59 N 0.25 1.24 -0.12 4.57 2.04 -0.94 0.25 117.51 124.80 1fqv h ILE 59 Ca 0.28 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 1fqv h ILE 59 Cb 0.39 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1fqv h ILE 59 CO -0.36 0.34 0.02 -0.61 0.00 0.00 0.00 178.15 177.54 1fqv h GLN 60 N 0.88 0.20 -0.57 2.37 4.15 -0.21 0.79 115.11 122.71 1fqv h GLN 60 Ca 0.18 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 1fqv h GLN 60 Cb 0.37 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 1fqv h GLN 60 CO 0.01 0.40 0.32 2.35 -1.93 0.00 0.00 178.83 179.98 1fqv h TRP 61 N -0.03 0.77 -0.25 3.99 7.01 -0.22 -1.25 115.95 125.97 1fqv h TRP 61 Ca 0.04 -0.01 -0.10 0.00 2.11 0.00 0.00 58.89 60.92 1fqv h TRP 61 Cb 0.30 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 1fqv h TRP 61 CO 0.02 0.55 -0.27 0.00 -2.79 0.00 0.00 178.44 175.94 1fqv h THR 63 N 0.43 1.19 -0.80 0.00 2.02 -0.50 0.39 112.91 115.63 1fqv h THR 63 Ca 0.06 -0.60 0.14 0.00 0.77 0.00 0.00 66.41 66.78 1fqv h THR 63 Cb 0.70 1.41 -0.06 0.00 -1.74 0.00 0.00 68.15 68.46 1fqv h THR 63 CO 0.05 0.17 0.53 -0.74 0.37 0.00 0.00 175.52 175.90 1fqv h HIS 64 N -0.05 0.61 -0.64 3.16 6.17 -1.09 -1.45 115.15 121.87 1fqv h HIS 64 Ca 0.03 0.02 -0.41 0.00 0.71 0.00 0.00 60.37 60.72 1fqv h HIS 64 Cb 0.25 -0.19 -0.25 0.00 2.52 0.00 0.00 27.41 29.73 1fqv h HIS 64 CO 0.01 0.23 -0.05 0.72 0.71 0.00 0.00 177.93 179.55 1fqv n HIS 65 N -4.51 2.13 0.20 5.26 8.25 -0.91 -4.71 115.22 120.93 1fqv n HIS 65 Ca 0.15 -2.11 0.13 0.00 -0.26 0.00 0.00 57.72 55.64 1fqv n HIS 65 Cb 0.50 -0.68 0.72 0.00 1.12 0.00 0.00 29.99 31.65 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 1.55 0.00 0.00 -0.41 2.10 0.21 0.67 116.57 120.69 1fqv h LYS 66 Ca 0.37 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.97 1fqv h LYS 66 Cb 1.51 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.84 1fqv h LYS 66 CO 0.79 0.00 -1.66 -0.25 -2.00 0.00 0.00 179.45 176.34 1fqv n ASP 67 N -4.29 0.36 -3.36 7.07 10.43 -1.26 -4.99 116.55 120.51 1fqv n ASP 67 Ca 0.01 0.14 0.00 0.00 2.57 0.00 0.00 54.79 57.51 1fqv n ASP 67 Cb 0.25 1.23 0.00 0.00 1.84 0.00 0.00 41.12 44.43 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 -2.50 0.00 -4.63 -2.24 9.92 0.22 -5.26 116.55 112.06 1fqv n ASP 68 Ca -0.06 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 53.83 1fqv n ASP 68 Cb 0.64 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 41.02 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 5.29 0.96 0.53 1.01 -1.26 -5.12 121.20 122.62 1fqv s ILE 85 Ca 0.00 0.16 -0.14 0.00 0.00 0.00 0.00 60.65 60.67 1fqv s ILE 85 Cb 0.00 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.99 1fqv s ILE 85 CO 0.00 0.31 0.19 -2.65 0.00 0.00 0.00 174.94 172.80 1fqv n PRO 86 N 4.56 -0.30 -0.07 2.79 -0.02 -1.26 -4.72 135.00 135.99 1fqv n PRO 86 Ca -0.15 -0.05 -0.15 0.00 -2.02 0.00 0.00 63.50 61.13 1fqv n PRO 86 Cb 0.52 -1.71 -0.04 0.00 -0.02 0.00 0.00 33.50 32.25 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 -1.49 1.28 -0.29 -1.45 2.07 -2.05 -1.74 116.25 112.58 1fqv h VAL 87 Ca -0.44 -1.77 -0.00 0.00 0.82 0.00 0.00 66.70 65.31 1fqv h VAL 87 Cb 1.29 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1fqv h VAL 87 CO 0.33 0.57 0.17 -0.25 0.02 0.00 0.00 177.57 178.41 1fqv h TRP 88 N 0.64 0.39 -0.43 1.57 7.01 -1.99 0.53 115.95 123.68 1fqv h TRP 88 Ca 0.00 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 1fqv h TRP 88 Cb 1.19 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 28.11 1fqv h TRP 88 CO 0.07 0.31 0.26 -0.44 -2.79 0.00 0.00 178.44 175.85 1fqv h ASP 89 N 0.36 0.51 -0.32 2.65 3.45 -1.90 0.47 116.42 121.63 1fqv h ASP 89 Ca 0.10 -0.05 0.03 0.00 0.43 0.00 0.00 57.03 57.54 1fqv h ASP 89 Cb 0.04 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 38.65 1fqv h ASP 89 CO -0.02 0.41 0.13 1.56 -1.57 0.00 0.00 179.24 179.76 1fqv h GLN 90 N 0.57 0.28 -0.66 3.56 4.20 -0.93 0.60 115.11 122.73 1fqv h GLN 90 Ca 0.15 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 1fqv h GLN 90 Cb -0.01 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 1fqv h GLN 90 CO -0.03 0.18 0.24 1.05 -0.67 0.00 0.00 178.83 179.61 1fqv h GLU 91 N 0.29 0.97 -0.05 1.46 -0.00 -0.49 -2.13 114.58 114.63 1fqv h GLU 91 Ca 0.14 -0.17 0.02 0.00 -0.00 0.00 0.00 59.36 59.35 1fqv h GLU 91 Cb 0.09 -0.16 -0.02 0.00 -0.00 0.00 0.00 28.75 28.65 1fqv h GLU 91 CO -0.12 0.81 -0.06 0.35 -0.00 0.00 0.00 179.01 179.98 1fqv h PHE 92 N 0.95 -0.15 -0.21 2.06 3.57 0.17 -1.72 116.94 121.61 1fqv h PHE 92 Ca 0.22 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 1fqv h PHE 92 Cb 0.21 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1fqv h PHE 92 CO 0.02 -0.10 0.05 1.28 -2.23 0.00 0.00 178.31 177.32 1fqv n LEU 93 N -5.19 2.87 -3.74 0.59 4.77 0.19 -4.50 117.00 111.99 1fqv n LEU 93 Ca -0.05 -1.46 -0.42 0.00 -0.03 0.00 0.00 56.01 54.05 1fqv n LEU 93 Cb 0.11 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1fqv n LEU 93 CO 0.28 0.44 2.09 1.17 -1.33 0.00 0.00 177.39 180.04 1fqv n LYS 94 N 0.15 3.93 -4.48 3.23 0.00 -0.65 -4.89 118.16 115.46 1fqv n LYS 94 Ca 0.11 -3.52 -0.23 0.00 0.00 0.00 0.00 58.31 54.67 1fqv n LYS 94 Cb 0.62 -2.83 -0.10 0.00 0.00 0.00 0.00 35.03 32.73 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 -0.14 1.00 0.72 3.15 -7.23 -1.26 -5.05 120.40 111.59 1fqv s VAL 95 Ca 0.44 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.48 1fqv s VAL 95 Cb 0.12 -2.64 0.03 0.00 0.56 0.00 0.00 36.38 34.45 1fqv s VAL 95 CO -0.02 0.00 1.11 1.51 -0.31 0.00 0.00 175.10 177.39 1fqv s ASP 96 N -3.53 4.69 0.36 4.85 3.84 -1.26 -4.79 116.67 120.83 1fqv s ASP 96 Ca 0.32 1.98 0.14 0.00 -0.00 0.00 0.00 52.55 54.99 1fqv s ASP 96 Cb 0.07 -2.54 1.00 0.00 -1.38 0.00 0.00 42.92 40.06 1fqv s ASP 96 CO 0.15 -1.92 1.75 1.56 -0.00 0.00 0.00 175.17 176.71 1fqv h GLN 97 N -0.52 0.47 0.12 2.11 4.20 -1.98 -1.53 115.11 117.97 1fqv h GLN 97 Ca -0.45 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.24 1fqv h GLN 97 Cb 1.25 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.90 1fqv h GLN 97 CO 0.52 0.31 -0.17 0.78 -0.67 0.00 0.00 178.83 179.60 1fqv h GLY 98 N 0.49 -0.32 1.01 3.46 0.00 -1.99 0.10 103.07 105.82 1fqv h GLY 98 Ca 0.62 0.19 0.00 0.00 0.00 0.00 0.00 47.33 48.14 1fqv h GLY 98 CO -0.38 -0.16 0.49 -0.84 0.00 0.00 0.00 176.54 175.66 1fqv h THR 99 N -0.34 1.21 -0.72 4.70 2.02 -1.65 0.06 112.91 118.19 1fqv h THR 99 Ca 0.02 -0.43 -0.05 0.00 0.77 0.00 0.00 66.41 66.71 1fqv h THR 99 Cb 0.34 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 1fqv h THR 99 CO -0.08 0.21 0.24 0.25 0.37 0.00 0.00 175.52 176.52 1fqv h LEU 100 N 1.07 1.04 -1.05 2.58 5.85 -1.16 0.92 115.31 124.55 1fqv h LEU 100 Ca 0.28 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1fqv h LEU 100 Cb -0.08 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.66 1fqv h LEU 100 CO -0.06 0.96 -0.02 0.15 -0.34 0.00 0.00 178.44 179.13 1fqv h PHE 101 N 1.06 0.70 -0.22 1.25 3.04 -0.21 -1.35 116.94 121.20 1fqv h PHE 101 Ca 0.24 -0.09 -0.17 0.00 3.98 0.00 0.00 57.97 61.93 1fqv h PHE 101 Cb 0.28 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 38.59 1fqv h PHE 101 CO 0.02 0.67 -0.56 0.93 -2.02 0.00 0.00 178.31 177.36 1fqv h GLU 102 N 0.62 0.67 -0.24 1.11 4.39 -0.35 -2.98 114.58 117.81 1fqv h GLU 102 Ca 0.12 -0.43 -0.06 0.00 0.34 0.00 0.00 59.36 59.33 1fqv h GLU 102 Cb 0.41 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1fqv h GLU 102 CO 0.02 1.05 -0.10 -0.07 -1.16 0.00 0.00 179.01 178.75 1fqv h LEU 103 N 0.51 0.50 -1.09 1.33 3.38 -0.52 0.12 115.31 119.55 1fqv h LEU 103 Ca 0.01 -0.40 0.07 0.00 0.09 0.00 0.00 57.88 57.65 1fqv h LEU 103 Cb 1.12 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.67 1fqv h LEU 103 CO 0.11 0.78 0.61 0.40 0.09 0.00 0.00 178.44 180.44 1fqv h ILE 104 N 0.21 1.07 0.02 1.22 2.04 -1.30 0.83 117.51 121.60 1fqv h ILE 104 Ca 0.06 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1fqv h ILE 104 Cb 0.59 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1fqv h ILE 104 CO 0.03 0.20 -0.01 -0.07 0.00 0.00 0.00 178.15 178.30 1fqv h LEU 105 N 1.08 -0.02 0.05 1.44 3.38 -1.39 -1.19 115.31 118.67 1fqv h LEU 105 Ca 0.41 -0.47 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1fqv h LEU 105 Cb 0.21 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1fqv h LEU 105 CO -0.16 0.47 -0.36 0.00 0.09 0.00 0.00 178.44 178.48 1fqv h ALA 106 N 0.46 -0.58 -0.90 1.53 0.00 -0.10 1.06 119.26 120.74 1fqv h ALA 106 Ca -0.00 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.00 1fqv h ALA 106 Cb 0.49 0.62 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 1fqv h ALA 106 CO 0.00 -0.89 0.52 0.00 0.00 0.00 0.00 179.25 178.88 1fqv h ALA 107 N 0.08 1.35 0.23 0.00 0.00 0.64 0.50 119.26 122.06 1fqv h ALA 107 Ca 0.04 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1fqv h ALA 107 Cb 0.61 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1fqv h ALA 107 CO -0.25 0.05 -0.11 -0.97 0.00 0.00 0.00 179.25 177.97 1fqv h ASN 108 N 0.79 -0.26 -0.60 0.00 -1.24 -0.01 0.29 115.58 114.53 1fqv h ASN 108 Ca 0.47 -0.24 0.09 0.00 0.71 0.00 0.00 56.30 57.33 1fqv h ASN 108 Cb 0.55 0.07 -0.07 0.00 0.73 0.00 0.00 38.32 39.60 1fqv h ASN 108 CO -0.31 0.14 0.22 0.22 -1.29 0.00 0.00 177.43 176.41 1fqv h TYR 109 N -0.71 0.38 -0.00 0.67 3.20 0.18 0.32 116.97 121.00 1fqv h TYR 109 Ca -0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1fqv h TYR 109 Cb 0.49 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.68 1fqv h TYR 109 CO 0.04 0.09 -0.04 1.28 -1.64 0.00 0.00 178.16 177.89 1fqv n LEU 110 N -5.01 0.25 -3.59 2.82 4.77 0.17 -4.76 117.00 111.66 1fqv n LEU 110 Ca 0.09 0.07 -0.23 0.00 -0.03 0.00 0.00 56.01 55.91 1fqv n LEU 110 Cb 0.28 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1fqv n LEU 110 CO 0.22 0.04 -0.15 -0.67 -1.33 0.00 0.00 177.39 175.50 1fqv n ASP 111 N -1.02 -5.54 -3.97 -1.43 2.03 0.11 -2.79 116.55 103.94 1fqv n ASP 111 Ca 0.17 -0.61 -0.31 0.00 0.52 0.00 0.00 54.79 54.56 1fqv n ASP 111 Cb 0.23 -2.36 -0.11 0.00 -0.72 0.00 0.00 41.12 38.15 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 -2.67 3.13 0.35 5.18 1.01 0.02 -2.02 121.20 126.20 1fqv s ILE 112 Ca 0.09 -3.79 0.16 0.00 0.00 0.00 0.00 60.65 57.11 1fqv s ILE 112 Cb -0.01 -3.06 0.34 0.00 0.01 0.00 0.00 42.46 39.74 1fqv s ILE 112 CO 0.87 -0.94 1.66 0.50 0.00 0.00 0.00 174.94 177.02 1fqv h LYS 113 N 6.00 0.28 0.64 2.79 1.63 -1.85 -0.29 116.57 125.76 1fqv h LYS 113 Ca 0.06 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1fqv h LYS 113 Cb 0.83 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.38 1fqv h LYS 113 CO 0.73 0.18 -0.51 0.78 -3.45 0.00 0.00 179.45 177.18 1fqv h GLY 114 N 0.28 -1.32 2.00 5.01 0.00 -1.93 -1.53 103.07 105.58 1fqv h GLY 114 Ca 0.75 0.58 -0.01 0.00 0.00 0.00 0.00 47.33 48.65 1fqv h GLY 114 CO -0.61 -0.41 -0.03 -2.00 0.00 0.00 0.00 176.54 173.49 1fqv h LEU 115 N -1.11 0.00 -0.70 3.11 7.12 -1.80 -2.80 115.31 119.14 1fqv h LEU 115 Ca -0.08 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 57.81 1fqv h LEU 115 Cb 0.93 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.04 1fqv h LEU 115 CO 0.01 0.03 -0.56 0.25 -0.13 0.00 0.00 178.44 178.05 1fqv h LEU 116 N 0.00 0.00 -0.00 2.25 6.46 -0.87 -2.80 115.31 120.34 1fqv h LEU 116 Ca -0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1fqv h LEU 116 Cb 0.70 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1fqv h LEU 116 CO 0.00 0.56 -0.01 -0.78 -0.62 0.00 0.00 178.44 177.59 1fqv h ASP 117 N 0.00 0.01 -0.59 1.25 3.58 -1.00 -2.83 116.42 116.84 1fqv h ASP 117 Ca -0.01 -0.56 -0.10 0.00 0.42 0.00 0.00 57.03 56.78 1fqv h ASP 117 Cb 1.11 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.14 1fqv h ASP 117 CO 0.07 0.57 -0.02 -0.37 -2.88 0.00 0.00 179.24 176.61 1fqv h VAL 118 N -0.54 1.27 -0.59 2.25 -1.51 -1.60 -1.90 116.25 113.61 1fqv h VAL 118 Ca 0.00 -1.18 -0.05 0.00 -1.23 0.00 0.00 66.70 64.24 1fqv h VAL 118 Cb 0.57 0.84 -0.02 0.00 -2.13 0.00 0.00 31.29 30.54 1fqv h VAL 118 CO 0.00 0.43 0.17 0.71 -1.23 0.00 0.00 177.57 177.64 1fqv h THR 119 N 0.96 1.25 -0.46 7.19 1.35 -1.60 0.77 112.91 122.36 1fqv h THR 119 Ca 0.16 -0.86 -0.14 0.00 -0.55 0.00 0.00 66.41 65.03 1fqv h THR 119 Cb 0.59 0.68 -0.01 0.00 -1.73 0.00 0.00 68.15 67.67 1fqv h THR 119 CO 0.04 0.32 -0.24 0.00 -0.25 0.00 0.00 175.52 175.38 1fqv h LYS 121 N 0.83 0.00 -0.35 0.00 1.57 -1.16 0.77 116.57 118.23 1fqv h LYS 121 Ca 0.10 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1fqv h LYS 121 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1fqv h LYS 121 CO 0.07 0.38 -0.05 1.15 -0.57 0.00 0.00 179.45 180.44 1fqv h THR 122 N 0.00 1.27 -0.02 -0.16 2.02 -0.51 0.19 112.91 115.70 1fqv h THR 122 Ca -0.00 -1.08 -0.11 0.00 0.77 0.00 0.00 66.41 65.99 1fqv h THR 122 Cb 0.79 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 1fqv h THR 122 CO 0.05 0.36 -0.48 0.58 0.37 0.00 0.00 175.52 176.39 1fqv h VAL 123 N 0.45 1.35 -0.47 3.16 2.07 -0.99 -1.86 116.25 119.96 1fqv h VAL 123 Ca 0.09 -1.67 -0.10 0.00 0.82 0.00 0.00 66.70 65.84 1fqv h VAL 123 Cb 0.54 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1fqv h VAL 123 CO 0.03 0.48 -0.10 0.00 0.02 0.00 0.00 177.57 178.00 1fqv h ALA 124 N 1.48 0.64 0.00 1.67 0.00 -0.35 -2.21 119.26 120.48 1fqv h ALA 124 Ca -0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1fqv h ALA 124 Cb 0.87 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1fqv h ALA 124 CO 0.07 0.54 -0.31 -0.91 0.00 0.00 0.00 179.25 178.63 1fqv h ASN 125 N 0.74 0.00 -0.13 0.00 -0.26 -0.26 -2.17 115.58 113.50 1fqv h ASN 125 Ca 0.12 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.69 1fqv h ASN 125 Cb 0.65 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.90 1fqv h ASN 125 CO 0.04 0.31 -0.55 0.24 -1.06 0.00 0.00 177.43 176.42 1fqv h MET 126 N 0.00 0.72 -0.36 0.81 2.86 -0.88 -3.17 114.93 114.90 1fqv h MET 126 Ca -0.00 -0.45 -0.15 0.00 -2.06 0.00 0.00 59.70 57.04 1fqv h MET 126 Cb 0.65 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1fqv h MET 126 CO 0.04 1.08 -0.36 0.82 1.06 0.00 0.00 176.91 179.54 1fqv h ILE 127 N 0.55 1.28 -2.79 -1.22 2.04 -1.14 -3.40 117.51 112.82 1fqv h ILE 127 Ca 0.01 -1.53 -0.57 0.00 1.00 0.00 0.00 64.86 63.77 1fqv h ILE 127 Cb 1.12 1.38 0.08 0.00 -0.74 0.00 0.00 36.82 38.67 1fqv h ILE 127 CO 0.11 0.51 0.70 0.29 0.00 0.00 0.00 178.15 179.76 1fqv n LYS 128 N -4.06 2.22 0.00 2.37 5.02 -0.84 -2.29 118.16 120.59 1fqv n LYS 128 Ca -0.02 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 1fqv n LYS 128 Cb 0.52 -2.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.04 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 2.28 2.36 3.74 0.72 0.00 -1.26 -4.98 105.19 108.06 1fqv n GLY 129 Ca 0.11 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 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 2.81 0.59 1.61 1.02 -0.97 -5.02 119.74 119.79 1fqv s LYS 130 Ca 0.00 1.96 -0.02 0.00 0.02 0.00 0.00 55.97 57.92 1fqv s LYS 130 Cb 0.00 -1.92 0.03 0.00 -0.52 0.00 0.00 37.83 35.42 1fqv s LYS 130 CO 0.00 -1.36 0.85 0.95 -0.92 0.00 0.00 175.35 174.87 1fqv s THR 131 N -1.48 2.82 0.37 2.17 -4.23 -1.26 -4.83 115.64 109.19 1fqv s THR 131 Ca 0.79 -0.44 0.14 0.00 -1.18 0.00 0.00 61.69 61.00 1fqv s THR 131 Cb -0.34 -3.11 0.36 0.00 1.34 0.00 0.00 72.50 70.74 1fqv s THR 131 CO 0.37 -0.10 1.80 -0.65 -0.54 0.00 0.00 174.62 175.50 1fqv h PRO 132 N -0.13 0.51 0.34 3.99 0.11 -1.95 0.37 132.00 135.24 1fqv h PRO 132 Ca -0.44 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1fqv h PRO 132 Cb 1.29 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1fqv h PRO 132 CO 0.56 0.34 -0.17 1.49 -0.21 0.00 0.00 178.00 180.02 1fqv h GLU 133 N 0.53 -0.44 -0.26 1.05 4.57 -2.00 -1.63 114.58 116.40 1fqv h GLU 133 Ca 0.55 0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.83 1fqv h GLU 133 Cb 1.18 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.86 1fqv h GLU 133 CO -0.28 -0.14 0.25 0.93 -1.18 0.00 0.00 179.01 178.59 1fqv h GLU 134 N -0.78 0.00 0.02 1.92 5.08 -1.70 -0.40 114.58 118.72 1fqv h GLU 134 Ca -0.05 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.11 1fqv h GLU 134 Cb 0.51 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.78 1fqv h GLU 134 CO 0.08 0.00 -0.81 0.82 -1.00 0.00 0.00 179.01 178.10 1fqv h ILE 135 N 0.00 1.37 -0.78 3.13 2.04 -0.71 -2.85 117.51 119.72 1fqv h ILE 135 Ca 0.12 -2.19 0.02 0.00 1.00 0.00 0.00 64.86 63.81 1fqv h ILE 135 Cb 0.62 2.57 -0.04 0.00 -0.74 0.00 0.00 36.82 39.22 1fqv h ILE 135 CO -0.00 0.65 0.51 0.03 0.00 0.00 0.00 178.15 179.34 1fqv h ARG 136 N 0.08 0.99 0.00 2.37 3.08 -0.12 -2.42 114.38 118.36 1fqv h ARG 136 Ca -0.11 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1fqv h ARG 136 Cb 1.51 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1fqv h ARG 136 CO 0.16 0.66 0.00 1.63 -1.07 0.00 0.00 179.97 181.34 1fqv n LYS 137 N -4.57 0.00 0.00 0.04 5.02 -0.62 0.44 118.16 118.48 1fqv n LYS 137 Ca 0.08 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 1fqv n LYS 137 Cb 0.04 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 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 1.33 -0.18 -2.24 -1.08 -1.13 114.28 108.90 1fqv n THR 138 Ca 0.00 1.37 0.08 0.00 -2.27 0.00 0.00 64.05 63.24 1fqv n THR 138 Cb 0.00 -1.94 0.50 0.00 -2.10 0.00 0.00 70.33 66.79 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 -2.38 0.00 -3.11 4.78 0.99 -0.92 -4.93 117.46 111.90 1fqv n PHE 139 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.33 1fqv n PHE 139 Cb 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 39.48 38.49 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 -0.90 -6.86 -4.17 4.37 5.15 0.17 -5.00 115.26 108.03 1fqv n ASN 140 Ca 0.13 0.51 -0.28 0.00 -0.60 0.00 0.00 54.58 54.34 1fqv n ASN 140 Cb 0.06 -3.11 -0.16 0.00 -0.53 0.00 0.00 39.78 36.04 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 -1.54 1.66 0.25 -1.44 -1.09 0.28 -5.00 121.20 114.32 1fqv s ILE 141 Ca 0.15 -0.83 -0.30 0.00 -2.23 0.00 0.00 60.65 57.44 1fqv s ILE 141 Cb -0.02 -1.43 -0.09 0.00 -1.58 0.00 0.00 42.46 39.33 1fqv s ILE 141 CO 0.54 0.47 1.23 -0.75 -1.23 0.00 0.00 174.94 175.21 1fqv s LYS 142 N 0.12 4.46 -0.77 2.79 2.20 -1.26 -4.80 119.74 122.47 1fqv s LYS 142 Ca -0.08 2.00 -0.24 0.00 -0.36 0.00 0.00 55.97 57.30 1fqv s LYS 142 Cb -0.14 -3.17 0.06 0.00 -1.51 0.00 0.00 37.83 33.08 1fqv s LYS 142 CO 0.04 -0.08 1.16 1.21 -0.36 0.00 0.00 175.35 177.32 1fqv s ASN 143 N -0.24 6.28 0.00 1.43 3.84 -1.26 -4.81 114.94 120.18 1fqv s ASN 143 Ca 0.51 -1.03 0.18 0.00 0.21 0.00 0.00 52.86 52.73 1fqv s ASN 143 Cb -0.35 -2.48 0.80 0.00 -0.55 0.00 0.00 41.25 38.66 1fqv s ASN 143 CO 0.43 -1.53 1.59 0.47 -2.79 0.00 0.00 177.10 175.26 1fqv n ASP 144 N 8.27 0.00 -4.84 -4.21 8.00 -1.26 -4.85 116.55 117.66 1fqv n ASP 144 Ca 0.08 0.45 -0.32 0.00 0.71 0.00 0.00 54.79 55.71 1fqv n ASP 144 Cb 0.48 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 -2.96 3.32 -0.01 1.24 2.99 -1.26 -5.08 117.98 116.23 1fqv s PHE 145 Ca 0.10 1.42 0.00 0.00 0.00 0.00 0.00 56.93 58.45 1fqv s PHE 145 Cb 0.12 -2.84 -0.04 0.00 0.00 0.00 0.00 43.02 40.26 1fqv s PHE 145 CO 0.33 -0.80 0.03 0.99 -0.00 0.00 0.00 175.22 175.77 1fqv s THR 146 N -2.82 4.41 0.36 0.64 2.01 -1.26 -4.98 115.64 113.99 1fqv s THR 146 Ca 0.59 -0.49 0.30 0.00 0.31 0.00 0.00 61.69 62.40 1fqv s THR 146 Cb -0.12 -2.98 0.30 0.00 0.01 0.00 0.00 72.50 69.71 1fqv s THR 146 CO 0.43 0.39 1.91 -0.33 -0.69 0.00 0.00 174.62 176.33 1fqv h GLU 147 N 4.31 0.00 0.00 4.92 5.08 -1.99 0.42 114.58 127.32 1fqv h GLU 147 Ca -0.49 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.67 1fqv h GLU 147 Cb 1.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 1fqv h GLU 147 CO 0.59 0.00 -1.30 1.49 -1.00 0.00 0.00 179.01 178.79 1fqv h GLU 148 N 0.00 0.00 -0.00 2.33 4.81 -1.99 -3.10 114.58 116.63 1fqv h GLU 148 Ca 0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 1fqv h GLU 148 Cb 0.27 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.68 1fqv h GLU 148 CO 0.00 0.48 -1.01 0.93 -0.73 0.00 0.00 179.01 178.68 1fqv h GLU 149 N 0.00 0.69 0.00 1.92 5.08 -0.61 -2.59 114.58 119.06 1fqv h GLU 149 Ca -0.15 -0.74 -0.00 0.00 -1.00 0.00 0.00 59.36 57.47 1fqv h GLU 149 Cb 1.70 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 31.16 1fqv h GLU 149 CO 0.07 1.32 -0.01 0.93 -1.00 0.00 0.00 179.01 180.32 1fqv h GLU 150 N 0.36 0.00 -0.18 2.33 5.08 -1.32 0.15 114.58 121.01 1fqv h GLU 150 Ca -0.13 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.04 1fqv h GLU 150 Cb 1.67 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.92 1fqv h GLU 150 CO 0.20 0.01 -0.64 0.00 -1.00 0.00 0.00 179.01 177.57 1fqv h ALA 151 N 1.99 0.32 0.08 3.43 0.00 -1.41 -2.24 119.26 121.44 1fqv h ALA 151 Ca -0.00 -0.55 -0.18 0.00 0.00 0.00 0.00 54.91 54.18 1fqv h ALA 151 Cb 0.37 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.15 1fqv h ALA 151 CO 0.00 0.60 -0.76 0.37 0.00 0.00 0.00 179.25 179.47 1fqv h GLN 152 N 0.48 0.37 -0.90 0.00 4.15 -0.90 -2.31 115.11 116.00 1fqv h GLN 152 Ca -0.03 -0.50 0.16 0.00 0.77 0.00 0.00 58.65 59.04 1fqv h GLN 152 Cb 1.27 0.17 -0.10 0.00 0.21 0.00 0.00 27.48 29.03 1fqv h GLN 152 CO 0.14 1.19 0.49 0.28 -1.93 0.00 0.00 178.83 179.00 1fqv h VAL 153 N -0.22 0.73 0.15 2.39 2.07 -0.82 0.58 116.25 121.14 1fqv h VAL 153 Ca -0.12 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1fqv h VAL 153 Cb 1.52 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1fqv h VAL 153 CO 0.14 0.12 -0.07 -0.09 0.02 0.00 0.00 177.57 177.70 1fqv h ARG 154 N 0.68 -0.20 -0.98 1.57 2.43 -1.43 -2.78 114.38 113.67 1fqv h ARG 154 Ca 0.49 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.70 1fqv h ARG 154 Cb 0.70 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.24 1fqv h ARG 154 CO -0.36 0.04 0.65 -0.22 -1.51 0.00 0.00 179.97 178.57 1fqv h LYS 155 N -0.42 1.24 0.00 0.20 3.64 -0.60 -0.31 116.57 120.31 1fqv h LYS 155 Ca -0.02 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1fqv h LYS 155 Cb 0.33 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1fqv h LYS 155 CO 0.03 0.82 0.00 0.39 -2.27 0.00 0.00 179.45 178.42 1fqv n GLU 156 N -4.42 0.10 -0.15 1.90 1.02 0.19 -2.48 120.64 116.80 1fqv n GLU 156 Ca 0.13 0.21 0.07 0.00 -0.02 0.00 0.00 57.16 57.54 1fqv n GLU 156 Cb 0.06 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.08 1fqv n GLU 156 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1fqv n ASN 157 N -1.40 1.81 -0.01 1.62 3.02 -0.18 -4.77 115.26 115.35 1fqv n ASN 157 Ca 0.05 -2.77 -0.13 0.00 -0.03 0.00 0.00 54.58 51.71 1fqv n ASN 157 Cb 0.14 -0.35 -0.10 0.00 -0.61 0.00 0.00 39.78 38.87 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 0.00 -0.01 -0.31 3.52 4.20 -1.10 -3.18 115.11 118.23 1fqv h GLN 158 Ca 0.00 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.80 1fqv h GLN 158 Cb 1.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 1fqv h GLN 158 CO 0.00 0.45 0.90 0.11 -0.67 0.00 0.00 178.83 179.61 1fqv h TRP 159 N -0.47 0.00 -0.01 2.96 5.08 -1.86 -3.52 115.95 118.13 1fqv h TRP 159 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1fqv h TRP 159 Cb 0.46 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.62 1fqv h TRP 159 CO 0.08 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.24