#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qfp n TRP 2 N 0.00 1.17 0.00 4.78 5.03 -1.23 -2.42 117.44 124.78 1qfp n TRP 2 Ca 0.00 0.50 0.00 0.00 3.03 0.00 0.00 57.50 61.03 1qfp n TRP 2 Cb 0.00 -2.40 0.00 0.00 -1.03 0.00 0.00 31.31 27.88 1qfp n TRP 2 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1qfp n GLY 3 N 6.92 0.91 3.03 6.99 0.00 -0.32 -4.94 105.19 117.78 1qfp n GLY 3 Ca 0.52 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.64 1qfp n GLY 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qfp s VAL 4 N -2.00 0.74 -0.17 1.61 1.01 -1.26 0.50 120.40 120.83 1qfp s VAL 4 Ca 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1qfp s VAL 4 Cb 0.00 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.78 1qfp s VAL 4 CO 0.00 0.18 -0.12 -0.55 0.00 0.00 0.00 175.10 174.61 1qfp s SER 5 N -0.31 3.02 -0.06 3.32 0.15 0.36 -4.98 113.70 115.20 1qfp s SER 5 Ca 0.03 -0.68 -0.23 0.00 0.70 0.00 0.00 55.95 55.77 1qfp s SER 5 Cb -0.04 -1.20 0.05 0.00 -1.71 0.00 0.00 66.02 63.12 1qfp s SER 5 CO -0.00 -0.10 0.52 -0.94 1.20 0.00 0.00 173.24 173.92 1qfp s SER 6 N 1.45 -0.47 0.33 5.45 1.04 -1.26 -1.40 113.70 118.83 1qfp s SER 6 Ca 0.02 0.56 -0.28 0.00 0.48 0.00 0.00 55.95 56.72 1qfp s SER 6 Cb -0.14 0.56 -0.12 0.00 0.10 0.00 0.00 66.02 66.41 1qfp s SER 6 CO -0.09 -0.47 1.32 -0.81 0.98 0.00 0.00 173.24 174.16 1qfp n PRO 7 N 1.38 2.15 -0.07 4.02 -0.04 -1.26 -4.85 135.00 136.33 1qfp n PRO 7 Ca -0.19 0.76 -0.02 0.00 -0.04 0.00 0.00 63.50 64.00 1qfp n PRO 7 Cb 0.56 -2.36 0.22 0.00 -0.04 0.00 0.00 33.50 31.89 1qfp n PRO 7 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1qfp h LYS 8 N 2.85 0.69 -4.91 0.54 -0.00 -1.95 -3.38 116.57 110.40 1qfp h LYS 8 Ca -0.46 -0.16 -0.33 0.00 -0.00 0.00 0.00 60.65 59.69 1qfp h LYS 8 Cb 1.28 -0.09 -0.21 0.00 -0.00 0.00 0.00 32.23 33.21 1qfp h LYS 8 CO 0.65 0.69 -0.75 -0.80 -0.00 0.00 0.00 179.45 179.24 1qfp s ASN 9 N -6.67 1.23 -0.15 7.07 -0.87 -1.26 -1.37 114.94 112.92 1qfp s ASN 9 Ca -0.09 -0.60 -0.10 0.00 -1.57 0.00 0.00 52.86 50.51 1qfp s ASN 9 Cb 0.15 -0.00 0.05 0.00 -0.02 0.00 0.00 41.25 41.43 1qfp s ASN 9 CO 0.79 -0.16 0.37 -0.69 -2.57 0.00 0.00 177.10 174.85 1qfp s VAL 10 N -1.42 -0.02 0.08 1.60 1.01 -0.38 -4.90 120.40 116.37 1qfp s VAL 10 Ca -0.06 0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.08 1qfp s VAL 10 Cb -0.09 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 1qfp s VAL 10 CO 0.01 0.03 -0.18 0.00 0.00 0.00 0.00 175.10 174.96 1qfp s GLN 11 N 1.01 1.91 0.34 2.72 0.00 -1.26 -1.02 119.66 123.36 1qfp s GLN 11 Ca -0.07 -1.09 -0.02 0.00 -0.00 0.00 0.00 55.36 54.18 1qfp s GLN 11 Cb -0.07 -2.14 0.00 0.00 0.00 0.00 0.00 33.01 30.80 1qfp s GLN 11 CO -0.08 0.51 0.47 0.20 0.00 0.00 0.00 175.29 176.39 1qfp s GLY 12 N -1.80 1.49 0.04 2.60 0.00 -0.85 -4.95 107.32 103.86 1qfp s GLY 12 Ca 0.16 -1.52 0.07 0.00 0.00 0.00 0.00 44.72 43.43 1qfp s GLY 12 CO 0.08 -1.00 -0.19 1.08 0.00 0.00 0.00 173.10 173.07 1qfp s LEU 13 N -3.24 2.17 0.76 0.66 2.01 -1.26 -0.99 118.68 118.79 1qfp s LEU 13 Ca 0.30 -0.50 -0.16 0.00 0.01 0.00 0.00 54.13 53.78 1qfp s LEU 13 Cb -0.00 -0.87 -0.07 0.00 0.01 0.00 0.00 46.19 45.25 1qfp s LEU 13 CO 0.20 0.13 0.12 -1.20 1.01 0.00 0.00 176.35 176.61 1qfp n SER 14 N 1.86 -2.76 0.00 2.29 7.64 -1.23 -2.09 113.62 119.34 1qfp n SER 14 Ca -0.17 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1qfp n SER 14 Cb 0.54 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 1qfp n SER 14 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qfp n GLY 15 N 2.17 0.61 3.86 0.23 0.00 -0.66 -4.79 105.19 106.61 1qfp n GLY 15 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1qfp n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qfp s SER 16 N 0.00 4.60 0.72 1.61 1.04 -0.89 -4.01 113.70 116.77 1qfp s SER 16 Ca 0.00 0.97 -0.01 0.00 0.48 0.00 0.00 55.95 57.40 1qfp s SER 16 Cb 0.00 -1.59 0.13 0.00 0.10 0.00 0.00 66.02 64.65 1qfp s SER 16 CO 0.00 -1.86 0.99 0.00 0.98 0.00 0.00 173.24 173.35 1qfp s LEU 18 N -5.13 -0.08 -0.21 0.00 2.96 -0.40 -4.79 118.68 111.02 1qfp s LEU 18 Ca 0.66 0.80 0.01 0.00 -0.22 0.00 0.00 54.13 55.38 1qfp s LEU 18 Cb -0.05 1.96 0.05 0.00 0.50 0.00 0.00 46.19 48.64 1qfp s LEU 18 CO 0.44 -0.36 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.78 1qfp s LEU 19 N -0.46 2.50 -0.58 -0.68 2.96 -1.26 -1.25 118.68 119.90 1qfp s LEU 19 Ca -0.06 -0.98 -0.20 0.00 -0.22 0.00 0.00 54.13 52.66 1qfp s LEU 19 Cb -0.03 -1.30 0.08 0.00 0.50 0.00 0.00 46.19 45.44 1qfp s LEU 19 CO 0.04 -0.15 0.77 -0.63 -1.32 0.00 0.00 176.35 175.06 1qfp s ILE 20 N 1.34 4.68 0.37 6.68 1.01 0.14 -4.96 121.20 130.46 1qfp s ILE 20 Ca -0.02 -0.63 -0.27 0.00 0.00 0.00 0.00 60.65 59.72 1qfp s ILE 20 Cb -0.17 -4.50 -0.11 0.00 0.01 0.00 0.00 42.46 37.69 1qfp s ILE 20 CO -0.08 -1.13 1.29 -0.81 0.00 0.00 0.00 174.94 174.21 1qfp n PRO 21 N 6.71 2.09 -3.71 2.79 -0.04 -1.26 -2.53 135.00 139.05 1qfp n PRO 21 Ca -0.07 0.74 -0.13 0.00 -0.04 0.00 0.00 63.50 64.00 1qfp n PRO 21 Cb 0.44 -2.37 -0.09 0.00 -0.04 0.00 0.00 33.50 31.44 1qfp n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qfp s ILE 23 N 0.27 -0.02 0.32 0.00 1.01 -0.49 -0.73 121.20 121.57 1qfp s ILE 23 Ca -0.00 0.06 0.09 0.00 0.00 0.00 0.00 60.65 60.79 1qfp s ILE 23 Cb -0.03 -0.30 -0.06 0.00 0.01 0.00 0.00 42.46 42.08 1qfp s ILE 23 CO 0.00 0.02 -0.10 0.72 0.00 0.00 0.00 174.94 175.59 1qfp s PHE 24 N 0.50 2.26 0.03 3.97 -0.71 0.75 0.14 117.98 124.91 1qfp s PHE 24 Ca -0.03 -0.54 -0.04 0.00 -1.04 0.00 0.00 56.93 55.28 1qfp s PHE 24 Cb -0.05 -1.26 -0.01 0.00 -1.21 0.00 0.00 43.02 40.49 1qfp s PHE 24 CO -0.02 0.51 0.07 0.45 -1.34 0.00 0.00 175.22 174.89 1qfp s SER 25 N -3.55 0.20 0.04 1.98 0.15 0.18 -4.71 113.70 107.99 1qfp s SER 25 Ca 0.31 -0.53 -0.27 0.00 0.70 0.00 0.00 55.95 56.16 1qfp s SER 25 Cb 0.02 0.20 0.08 0.00 -1.71 0.00 0.00 66.02 64.61 1qfp s SER 25 CO 0.15 -0.47 0.70 -0.72 1.20 0.00 0.00 173.24 174.10 1qfp s TYR 26 N -2.40 -0.53 -0.07 3.44 1.13 -1.01 -1.18 117.35 116.73 1qfp s TYR 26 Ca -0.07 0.58 -0.37 0.00 -1.41 0.00 0.00 57.07 55.80 1qfp s TYR 26 Cb -0.03 0.50 -0.15 0.00 -1.10 0.00 0.00 41.96 41.19 1qfp s TYR 26 CO -0.04 -0.69 1.62 -2.30 -2.51 0.00 0.00 175.55 171.63 1qfp n PRO 27 N 0.12 1.47 0.15 -3.49 -0.02 -1.26 -4.54 135.00 127.43 1qfp n PRO 27 Ca -0.16 0.54 0.10 0.00 -2.02 0.00 0.00 63.50 61.95 1qfp n PRO 27 Cb 0.62 -2.25 0.60 0.00 -0.02 0.00 0.00 33.50 32.45 1qfp n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qfp h ALA 28 N 6.54 2.03 0.00 3.55 0.00 -2.00 -1.57 119.26 127.80 1qfp h ALA 28 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1qfp h ALA 28 Cb 1.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1qfp h ALA 28 CO 0.89 -0.07 0.00 -0.40 0.00 0.00 0.00 179.25 179.67 1qfp n ASP 29 N -4.50 0.00 -4.74 0.00 5.68 -1.26 -4.71 116.55 107.02 1qfp n ASP 29 Ca 0.01 -0.55 -0.38 0.00 -0.50 0.00 0.00 54.79 53.37 1qfp n ASP 29 Cb 0.19 -0.01 -0.06 0.00 -1.14 0.00 0.00 41.12 40.10 1qfp n ASP 29 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1qfp s VAL 30 N -2.02 5.10 0.08 2.12 -7.23 -0.59 -5.04 120.40 112.83 1qfp s VAL 30 Ca 0.27 1.04 -0.30 0.00 -1.81 0.00 0.00 61.98 61.17 1qfp s VAL 30 Cb 0.13 -3.85 -0.06 0.00 0.56 0.00 0.00 36.38 33.16 1qfp s VAL 30 CO 0.21 0.37 1.15 -2.84 -0.31 0.00 0.00 175.10 173.68 1qfp s PRO 31 N 0.30 4.48 -0.34 4.82 0.02 -1.26 -4.94 135.00 138.08 1qfp s PRO 31 Ca 0.28 1.72 0.09 0.00 0.02 0.00 0.00 61.00 63.11 1qfp s PRO 31 Cb -0.16 -3.34 0.45 0.00 0.02 0.00 0.00 34.50 31.47 1qfp s PRO 31 CO 0.13 -0.16 1.14 0.28 -0.33 0.00 0.00 177.00 178.05 1qfp n VAL 32 N 3.55 2.24 1.16 3.83 0.31 -1.26 -4.86 118.33 123.30 1qfp n VAL 32 Ca 0.07 -4.25 0.00 0.00 -0.01 0.00 0.00 64.34 60.15 1qfp n VAL 32 Cb 0.47 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.59 1qfp n VAL 32 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1qfp n SER 33 N -0.57 0.14 -0.62 4.52 3.41 -1.26 -2.98 113.62 116.25 1qfp n SER 33 Ca 0.36 -1.30 0.01 0.00 -0.26 0.00 0.00 58.87 57.67 1qfp n SER 33 Cb 0.84 -0.07 0.01 0.00 -0.26 0.00 0.00 64.21 64.72 1qfp n SER 33 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1qfp n ASN 34 N -0.36 0.17 -0.28 4.04 3.02 -1.26 -5.13 115.26 115.46 1qfp n ASN 34 Ca 0.00 -2.02 0.04 0.00 -0.03 0.00 0.00 54.58 52.56 1qfp n ASN 34 Cb 0.04 -0.22 -0.01 0.00 -0.61 0.00 0.00 39.78 38.98 1qfp n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qfp n GLY 35 N 0.04 -1.84 3.37 7.41 0.00 -1.16 -4.94 105.19 108.07 1qfp n GLY 35 Ca 0.01 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 1qfp n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qfp s ILE 36 N -1.89 2.31 -0.24 -0.61 1.01 -1.26 -4.72 121.20 115.80 1qfp s ILE 36 Ca 0.00 -1.31 -0.10 0.00 0.00 0.00 0.00 60.65 59.24 1qfp s ILE 36 Cb 0.00 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.51 1qfp s ILE 36 CO 0.00 0.38 0.15 -0.89 0.00 0.00 0.00 174.94 174.58 1qfp s THR 37 N -0.82 5.25 -0.12 2.92 2.01 0.10 -4.91 115.64 120.09 1qfp s THR 37 Ca 0.12 0.14 -0.07 0.00 0.31 0.00 0.00 61.69 62.20 1qfp s THR 37 Cb -0.10 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1qfp s THR 37 CO 0.02 0.35 0.14 0.00 -0.69 0.00 0.00 174.62 174.44 1qfp s ALA 38 N 1.08 3.86 -0.10 7.40 0.00 -1.26 -0.91 121.76 131.83 1qfp s ALA 38 Ca 0.07 -0.65 -0.04 0.00 0.00 0.00 0.00 51.96 51.34 1qfp s ALA 38 Cb -0.14 -1.95 0.05 0.00 0.00 0.00 0.00 23.12 21.08 1qfp s ALA 38 CO 0.05 0.62 0.21 0.42 0.00 0.00 0.00 175.76 177.06 1qfp s ILE 39 N -1.03 -0.21 -0.21 0.00 1.01 0.34 -1.35 121.20 119.76 1qfp s ILE 39 Ca 0.15 0.24 -0.04 0.00 0.00 0.00 0.00 60.65 61.00 1qfp s ILE 39 Cb -0.12 -0.36 -0.02 0.00 0.01 0.00 0.00 42.46 41.98 1qfp s ILE 39 CO 0.04 0.10 -0.02 0.26 0.00 0.00 0.00 174.94 175.32 1qfp s TRP 40 N 1.84 3.00 0.11 3.97 0.52 -0.24 -0.81 118.94 127.33 1qfp s TRP 40 Ca -0.03 -0.62 0.03 0.00 0.02 0.00 0.00 56.10 55.50 1qfp s TRP 40 Cb -0.11 -2.08 -0.04 0.00 -1.15 0.00 0.00 33.47 30.08 1qfp s TRP 40 CO -0.07 -0.35 0.11 0.71 0.02 0.00 0.00 176.95 177.37 1qfp s TYR 41 N 1.15 3.20 -0.08 -1.98 2.02 0.12 0.91 117.35 122.70 1qfp s TYR 41 Ca 0.02 0.06 0.04 0.00 -0.37 0.00 0.00 57.07 56.82 1qfp s TYR 41 Cb -0.14 -1.59 -0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1qfp s TYR 41 CO 0.01 0.52 -0.19 -0.47 -1.57 0.00 0.00 175.55 173.84 1qfp s TYR 42 N -1.52 2.61 -1.13 2.71 5.04 0.11 -0.80 117.35 124.35 1qfp s TYR 42 Ca 0.30 -0.61 -0.26 0.00 -2.44 0.00 0.00 57.07 54.07 1qfp s TYR 42 Cb -0.11 -1.68 0.02 0.00 0.35 0.00 0.00 41.96 40.54 1qfp s TYR 42 CO 0.23 -0.15 0.72 -3.47 -1.34 0.00 0.00 175.55 171.54 1qfp n ASP 43 N 3.01 -4.75 -0.26 4.32 2.03 0.08 -1.05 116.55 119.94 1qfp n ASP 43 Ca -0.18 -1.14 0.02 0.00 0.52 0.00 0.00 54.79 54.02 1qfp n ASP 43 Cb 0.52 -2.37 0.15 0.00 -0.72 0.00 0.00 41.12 38.71 1qfp n ASP 43 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1qfp h TYR 44 N -2.06 0.69 0.00 -0.67 5.03 -1.86 0.93 116.97 119.03 1qfp h TYR 44 Ca -0.67 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 60.59 1qfp h TYR 44 Cb 1.38 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 39.45 1qfp h TYR 44 CO 0.34 0.24 -0.37 0.77 -1.32 0.00 0.00 178.16 177.82 1qfp h SER 45 N 0.64 0.00 0.00 -2.11 0.02 -1.97 -3.35 113.55 106.78 1qfp h SER 45 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1qfp h SER 45 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1qfp h SER 45 CO -0.28 0.37 0.00 0.61 -1.14 0.00 0.00 176.83 176.39 1qfp n GLY 46 N -0.04 0.06 0.26 -3.77 0.00 -0.84 -4.87 105.19 96.00 1qfp n GLY 46 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 1qfp n GLY 46 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1qfp h LYS 47 N 0.00 0.50 -5.76 1.61 5.09 -1.79 -3.47 116.57 112.74 1qfp h LYS 47 Ca 0.00 -0.12 -0.30 0.00 0.09 0.00 0.00 60.65 60.32 1qfp h LYS 47 Cb 0.00 -0.07 0.14 0.00 0.10 0.00 0.00 32.23 32.40 1qfp h LYS 47 CO 0.00 0.56 -0.83 -2.13 -2.09 0.00 0.00 179.45 174.96 1qfp n ARG 48 N -4.26 -1.77 -3.34 0.07 0.63 0.32 -4.96 116.66 103.35 1qfp n ARG 48 Ca 0.01 0.76 -0.38 0.00 -0.92 0.00 0.00 57.85 57.32 1qfp n ARG 48 Cb 0.27 -5.11 -0.06 0.00 0.45 0.00 0.00 32.46 28.00 1qfp n ARG 48 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1qfp s GLN 49 N -4.88 4.21 -0.34 -0.14 -0.21 -0.21 -4.85 119.66 113.24 1qfp s GLN 49 Ca 0.42 0.51 -0.29 0.00 0.02 0.00 0.00 55.36 56.02 1qfp s GLN 49 Cb -0.10 -3.35 0.00 0.00 1.00 0.00 0.00 33.01 30.57 1qfp s GLN 49 CO 0.79 0.38 1.32 0.08 -2.12 0.00 0.00 175.29 175.74 1qfp s VAL 50 N -0.12 4.08 -0.04 1.09 1.01 -1.26 0.04 120.40 125.20 1qfp s VAL 50 Ca 0.26 1.19 -0.03 0.00 0.00 0.00 0.00 61.98 63.40 1qfp s VAL 50 Cb -0.16 -4.19 -0.27 0.00 0.00 0.00 0.00 36.38 31.75 1qfp s VAL 50 CO 0.13 -0.57 0.68 0.58 0.00 0.00 0.00 175.10 175.91 1qfp h VAL 51 N 6.10 0.94 -3.41 2.92 2.07 0.21 -0.28 116.25 124.81 1qfp h VAL 51 Ca -0.26 -2.62 -0.17 0.00 0.82 0.00 0.00 66.70 64.47 1qfp h VAL 51 Cb 1.10 2.65 -0.24 0.00 -1.52 0.00 0.00 31.29 33.28 1qfp h VAL 51 CO 1.05 0.80 -0.50 -0.63 0.02 0.00 0.00 177.57 178.31 1qfp s ILE 52 N -2.59 0.04 -0.37 4.57 -1.09 -1.03 -4.85 121.20 115.88 1qfp s ILE 52 Ca -0.13 -0.32 0.04 0.00 -2.23 0.00 0.00 60.65 58.01 1qfp s ILE 52 Cb 0.07 -0.33 0.16 0.00 -1.58 0.00 0.00 42.46 40.78 1qfp s ILE 52 CO 0.83 -0.18 0.46 -2.28 -1.23 0.00 0.00 174.94 172.54 1qfp s HIS 53 N -0.60 -0.85 0.44 3.97 2.46 -1.26 -1.08 115.29 118.38 1qfp s HIS 53 Ca -0.07 -0.29 0.15 0.00 0.47 0.00 0.00 55.06 55.32 1qfp s HIS 53 Cb -0.04 -0.15 1.05 0.00 -0.13 0.00 0.00 32.58 33.31 1qfp s HIS 53 CO 0.01 -1.03 1.97 0.66 -2.47 0.00 0.00 174.74 173.88 1qfp h SER 54 N 7.26 0.35 0.08 9.88 4.64 -1.59 -2.74 113.55 131.42 1qfp h SER 54 Ca 0.02 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1qfp h SER 54 Cb 1.10 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1qfp h SER 54 CO 0.18 0.21 -0.04 1.23 -0.87 0.00 0.00 176.83 177.54 1qfp h GLY 55 N 0.38 -0.11 -6.32 -0.77 0.00 -1.91 -3.42 103.07 90.93 1qfp h GLY 55 Ca 0.28 0.04 -0.30 0.00 0.00 0.00 0.00 47.33 47.36 1qfp h GLY 55 CO -0.08 -0.04 -0.63 -0.35 0.00 0.00 0.00 176.54 175.45 1qfp s ASP 56 N -5.24 0.75 0.00 0.19 2.15 -1.05 -5.00 116.67 108.47 1qfp s ASP 56 Ca -0.14 -1.21 0.00 0.00 0.43 0.00 0.00 52.55 51.63 1qfp s ASP 56 Cb 0.04 0.82 0.00 0.00 -0.30 0.00 0.00 42.92 43.49 1qfp s ASP 56 CO 0.65 -0.28 0.44 -0.81 -0.17 0.00 0.00 175.17 175.01 1qfp n PRO 57 N 4.55 0.00 0.09 4.34 -0.04 -1.12 -0.39 135.00 142.43 1qfp n PRO 57 Ca 0.08 0.03 0.13 0.00 -0.04 0.00 0.00 63.50 63.70 1qfp n PRO 57 Cb 0.47 -1.51 0.38 0.00 -0.04 0.00 0.00 33.50 32.81 1qfp n PRO 57 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1qfp n LYS 58 N -0.94 0.24 0.00 0.54 4.01 -1.26 -3.33 118.16 117.41 1qfp n LYS 58 Ca 0.00 0.17 0.13 0.00 -0.51 0.00 0.00 58.31 58.11 1qfp n LYS 58 Cb 0.01 -1.76 0.49 0.00 -0.51 0.00 0.00 35.03 33.26 1qfp n LYS 58 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1qfp n LEU 59 N -2.17 0.70 -4.75 -0.35 4.77 0.48 -4.92 117.00 110.77 1qfp n LEU 59 Ca 0.05 -0.10 -0.41 0.00 -0.03 0.00 0.00 56.01 55.52 1qfp n LEU 59 Cb 0.42 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1qfp n LEU 59 CO 0.31 0.13 1.00 -0.69 -1.33 0.00 0.00 177.39 176.81 1qfp s VAL 60 N -2.53 2.91 0.69 4.08 1.01 -1.21 -4.64 120.40 120.70 1qfp s VAL 60 Ca 0.25 0.82 -0.15 0.00 0.00 0.00 0.00 61.98 62.90 1qfp s VAL 60 Cb 0.19 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 33.07 1qfp s VAL 60 CO 0.51 0.16 1.17 -0.62 0.00 0.00 0.00 175.10 176.32 1qfp s ASP 61 N -0.06 4.63 0.20 3.32 -1.08 -0.12 -4.82 116.67 118.75 1qfp s ASP 61 Ca 0.53 2.23 -0.05 0.00 -0.52 0.00 0.00 52.55 54.74 1qfp s ASP 61 Cb -0.39 -2.58 0.14 0.00 -1.46 0.00 0.00 42.92 38.63 1qfp s ASP 61 CO 0.45 -1.96 1.58 0.07 0.52 0.00 0.00 175.17 175.83 1qfp h LYS 62 N -0.04 0.75 -1.28 4.34 2.10 -1.94 -1.29 116.57 119.21 1qfp h LYS 62 Ca -0.48 -0.35 0.38 0.00 -2.00 0.00 0.00 60.65 58.21 1qfp h LYS 62 Cb 1.28 -0.01 -0.10 0.00 -0.90 0.00 0.00 32.23 32.50 1qfp h LYS 62 CO 0.52 0.97 0.85 -0.09 -2.00 0.00 0.00 179.45 179.70 1qfp h ARG 63 N 0.63 0.15 -0.01 0.07 2.43 -1.96 -0.25 114.38 115.44 1qfp h ARG 63 Ca 0.07 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1qfp h ARG 63 Cb 0.86 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1qfp h ARG 63 CO 0.07 0.10 -0.24 1.19 -1.51 0.00 0.00 179.97 179.58 1qfp n PHE 64 N -4.52 0.00 -1.64 2.20 3.01 -0.99 -4.93 117.46 110.59 1qfp n PHE 64 Ca 0.33 0.00 -0.48 0.00 1.01 0.00 0.00 57.45 58.31 1qfp n PHE 64 Cb 1.30 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.72 1qfp n PHE 64 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1qfp n ARG 65 N -0.32 1.82 0.00 -1.08 1.74 -0.11 -1.86 116.66 116.86 1qfp n ARG 65 Ca 0.04 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 1qfp n ARG 65 Cb 0.22 -2.38 0.00 0.00 -1.02 0.00 0.00 32.46 29.27 1qfp n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qfp n GLY 66 N 3.11 2.44 1.04 -0.13 0.00 -1.26 -4.80 105.19 105.59 1qfp n GLY 66 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 1qfp n GLY 66 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1qfp n ARG 67 N -1.87 2.71 -3.92 1.61 1.85 -0.78 -4.94 116.66 111.33 1qfp n ARG 67 Ca 0.00 -2.94 -0.11 0.00 -1.00 0.00 0.00 57.85 53.80 1qfp n ARG 67 Cb 0.00 -1.87 -0.12 0.00 -1.05 0.00 0.00 32.46 29.42 1qfp n ARG 67 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1qfp s ALA 68 N -2.94 -0.01 -0.03 2.89 0.00 -1.24 -0.10 121.76 120.33 1qfp s ALA 68 Ca 0.44 -0.26 -0.12 0.00 0.00 0.00 0.00 51.96 52.03 1qfp s ALA 68 Cb 0.37 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.56 1qfp s ALA 68 CO 0.07 -0.10 0.26 -2.00 0.00 0.00 0.00 175.76 173.98 1qfp s GLU 69 N -0.83 0.54 -0.48 0.00 2.12 0.57 -4.97 118.70 115.65 1qfp s GLU 69 Ca -0.09 -0.12 -0.14 0.00 0.36 0.00 0.00 54.97 54.98 1qfp s GLU 69 Cb -0.06 0.24 0.09 0.00 0.26 0.00 0.00 34.13 34.67 1qfp s GLU 69 CO -0.00 -0.13 0.39 -1.17 -0.54 0.00 0.00 175.26 173.80 1qfp s LEU 70 N -1.01 5.67 -1.07 2.70 2.96 -1.26 -0.75 118.68 125.92 1qfp s LEU 70 Ca -0.11 -1.54 -0.03 0.00 -0.22 0.00 0.00 54.13 52.24 1qfp s LEU 70 Cb -0.05 -2.13 0.23 0.00 0.50 0.00 0.00 46.19 44.74 1qfp s LEU 70 CO 0.03 -0.68 2.12 0.23 -1.32 0.00 0.00 176.35 176.72 1qfp n MET 71 N 5.13 4.67 -4.62 1.98 2.81 0.10 -4.94 117.12 122.25 1qfp n MET 71 Ca -0.12 -3.96 -0.28 0.00 -1.81 0.00 0.00 57.70 51.53 1qfp n MET 71 Cb 0.42 -2.48 -0.10 0.00 -0.71 0.00 0.00 33.22 30.35 1qfp n MET 71 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1qfp s GLY 72 N -0.58 2.54 -0.58 3.03 0.00 -1.25 -4.17 107.32 106.30 1qfp s GLY 72 Ca 0.47 -1.94 0.04 0.00 0.00 0.00 0.00 44.72 43.30 1qfp s GLY 72 CO -0.15 -2.07 0.40 -1.31 0.00 0.00 0.00 173.10 169.97 1qfp s ASN 73 N -3.71 3.81 0.24 1.64 0.01 -1.07 -4.97 114.94 110.89 1qfp s ASN 73 Ca 0.30 -3.43 0.08 0.00 -0.71 0.00 0.00 52.86 49.10 1qfp s ASN 73 Cb 0.08 -1.26 0.74 0.00 0.41 0.00 0.00 41.25 41.22 1qfp s ASN 73 CO 0.15 -0.14 1.12 0.23 -1.51 0.00 0.00 177.10 176.95 1qfp n MET 74 N 2.49 -0.05 0.00 -0.60 2.81 -1.25 0.25 117.12 120.77 1qfp n MET 74 Ca 0.19 1.02 0.00 0.00 -1.81 0.00 0.00 57.70 57.11 1qfp n MET 74 Cb 0.38 -1.72 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 1qfp n MET 74 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1qfp n ASP 75 N -4.79 0.80 0.00 7.83 8.00 -1.26 -2.19 116.55 124.94 1qfp n ASP 75 Ca 0.22 -1.66 0.00 0.00 0.71 0.00 0.00 54.79 54.06 1qfp n ASP 75 Cb 0.72 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 1qfp n ASP 75 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1qfp n HIS 76 N 0.07 0.00 -1.04 1.24 8.25 0.68 -5.00 115.22 119.42 1qfp n HIS 76 Ca 0.00 -0.04 -0.01 0.00 -0.26 0.00 0.00 57.72 57.40 1qfp n HIS 76 Cb 0.20 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.30 1qfp n HIS 76 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1qfp n LYS 77 N -0.04 -0.71 -3.42 -0.41 5.02 -0.93 -4.97 118.16 112.69 1qfp n LYS 77 Ca 0.00 0.30 -0.37 0.00 -2.02 0.00 0.00 58.31 56.21 1qfp n LYS 77 Cb 0.36 -3.91 -0.07 0.00 -0.02 0.00 0.00 35.03 31.39 1qfp n LYS 77 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1qfp s VAL 78 N -1.75 5.24 -0.28 -0.18 1.01 -1.23 -0.18 120.40 123.02 1qfp s VAL 78 Ca 0.00 0.71 0.14 0.00 0.00 0.00 0.00 61.98 62.83 1qfp s VAL 78 Cb 0.00 -3.71 0.48 0.00 0.00 0.00 0.00 36.38 33.15 1qfp s VAL 78 CO 0.00 0.32 1.14 0.00 0.00 0.00 0.00 175.10 176.56 1qfp n ASN 80 N -0.63 3.87 -4.64 0.00 3.02 -1.23 -4.46 115.26 111.19 1qfp n ASN 80 Ca 0.27 1.08 -0.35 0.00 -0.03 0.00 0.00 54.58 55.55 1qfp n ASN 80 Cb 0.88 -1.56 -0.10 0.00 -0.61 0.00 0.00 39.78 38.39 1qfp n ASN 80 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1qfp s LEU 81 N 0.82 3.58 -0.19 3.41 2.96 -1.05 -0.72 118.68 127.50 1qfp s LEU 81 Ca 0.73 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.74 1qfp s LEU 81 Cb -0.52 -1.85 0.03 0.00 0.50 0.00 0.00 46.19 44.35 1qfp s LEU 81 CO 0.36 0.29 -0.17 -0.22 -1.32 0.00 0.00 176.35 175.28 1qfp s LEU 82 N -0.34 2.27 -0.25 -0.68 2.96 0.07 -0.69 118.68 122.02 1qfp s LEU 82 Ca 0.07 -0.75 -0.09 0.00 -0.22 0.00 0.00 54.13 53.14 1qfp s LEU 82 Cb -0.12 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 1qfp s LEU 82 CO 0.02 -0.04 0.13 -0.76 -1.32 0.00 0.00 176.35 174.37 1qfp s LEU 83 N 1.29 3.81 0.67 -0.68 1.43 -0.38 -0.31 118.68 124.51 1qfp s LEU 83 Ca 0.03 -0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 53.00 1qfp s LEU 83 Cb -0.14 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.08 1qfp s LEU 83 CO -0.11 0.01 1.00 -0.54 0.23 0.00 0.00 176.35 176.94 1qfp s LYS 84 N 1.38 2.63 -0.05 1.70 1.02 0.86 -1.28 119.74 126.01 1qfp s LYS 84 Ca 0.06 0.06 -0.02 0.00 0.02 0.00 0.00 55.97 56.09 1qfp s LYS 84 Cb -0.15 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 35.01 1qfp s LYS 84 CO 0.06 -1.01 0.05 -0.40 -0.92 0.00 0.00 175.35 173.13 1qfp n ASP 85 N -2.84 -0.39 -4.47 2.83 5.68 -1.23 -4.81 116.55 111.32 1qfp n ASP 85 Ca 0.06 -0.04 -0.36 0.00 -0.50 0.00 0.00 54.79 53.95 1qfp n ASP 85 Cb 0.59 -0.12 0.07 0.00 -1.14 0.00 0.00 41.12 40.51 1qfp n ASP 85 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1qfp n LEU 86 N -0.34 0.87 -4.03 -2.12 4.77 0.16 -4.56 117.00 111.76 1qfp n LEU 86 Ca -0.02 0.60 -0.07 0.00 -0.03 0.00 0.00 56.01 56.49 1qfp n LEU 86 Cb 0.05 -1.21 -0.09 0.00 -2.33 0.00 0.00 43.42 39.84 1qfp n LEU 86 CO 0.05 -3.09 -0.29 -0.54 -1.33 0.00 0.00 177.39 172.19 1qfp s LYS 87 N -2.71 0.68 0.30 3.23 1.02 -1.26 -1.66 119.74 119.33 1qfp s LYS 87 Ca 0.66 -1.15 -0.01 0.00 0.02 0.00 0.00 55.97 55.49 1qfp s LYS 87 Cb -0.36 0.25 0.45 0.00 -0.52 0.00 0.00 37.83 37.65 1qfp s LYS 87 CO 0.58 -0.15 1.88 -1.35 -0.92 0.00 0.00 175.35 175.38 1qfp h PRO 88 N 3.04 0.86 -0.00 -1.68 0.11 -1.95 -2.41 132.00 129.97 1qfp h PRO 88 Ca -0.34 -0.13 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1qfp h PRO 88 Cb 1.16 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1qfp h PRO 88 CO 0.63 0.70 -0.20 1.05 -0.21 0.00 0.00 178.00 179.97 1qfp h GLU 89 N 0.85 0.00 0.00 1.05 9.09 -1.97 -2.37 114.58 121.24 1qfp h GLU 89 Ca 0.20 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.61 1qfp h GLU 89 Cb 0.16 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 1qfp h GLU 89 CO -0.02 0.20 0.00 -0.25 0.05 0.00 0.00 179.01 178.99 1qfp n ASP 90 N -4.30 0.00 -4.77 3.06 8.00 -0.91 -4.71 116.55 112.93 1qfp n ASP 90 Ca -0.02 0.13 -0.37 0.00 0.71 0.00 0.00 54.79 55.24 1qfp n ASP 90 Cb 0.26 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 1qfp n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1qfp s SER 91 N -2.46 5.92 0.00 -2.24 0.01 -0.89 -4.85 113.70 109.18 1qfp s SER 91 Ca 0.06 2.34 0.00 0.00 1.31 0.00 0.00 55.95 59.65 1qfp s SER 91 Cb 0.04 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1qfp s SER 91 CO 0.08 -1.09 0.00 0.61 0.41 0.00 0.00 173.24 173.24 1qfp n GLY 92 N 0.42 0.47 3.62 3.44 0.00 -0.38 -4.96 105.19 107.79 1qfp n GLY 92 Ca 0.09 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 1qfp n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qfp s THR 93 N -2.78 4.29 -0.12 2.61 2.01 -1.26 0.27 115.64 120.66 1qfp s THR 93 Ca 0.00 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.78 1qfp s THR 93 Cb 0.00 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.65 1qfp s THR 93 CO 0.00 0.54 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.99 1qfp s TYR 94 N -0.26 2.72 -0.05 4.92 1.51 0.13 -0.74 117.35 125.58 1qfp s TYR 94 Ca 0.06 -0.86 0.06 0.00 -1.01 0.00 0.00 57.07 55.32 1qfp s TYR 94 Cb -0.12 -1.81 -0.01 0.00 -0.11 0.00 0.00 41.96 39.90 1qfp s TYR 94 CO 0.02 -0.33 -0.24 -0.80 -1.11 0.00 0.00 175.55 173.09 1qfp s ASN 95 N 0.44 3.19 0.04 2.29 0.01 0.02 -0.72 114.94 120.20 1qfp s ASN 95 Ca -0.13 -0.46 0.00 0.00 -0.71 0.00 0.00 52.86 51.56 1qfp s ASN 95 Cb -0.16 -0.73 -0.04 0.00 0.41 0.00 0.00 41.25 40.73 1qfp s ASN 95 CO 0.06 0.27 0.16 0.12 -1.51 0.00 0.00 177.10 176.20 1qfp s PHE 96 N -0.33 3.42 -0.10 2.20 5.36 -1.26 0.14 117.98 127.41 1qfp s PHE 96 Ca 0.01 0.23 -0.09 0.00 -0.96 0.00 0.00 56.93 56.12 1qfp s PHE 96 Cb -0.12 -1.74 0.03 0.00 -0.34 0.00 0.00 43.02 40.84 1qfp s PHE 96 CO 0.02 0.58 0.27 0.50 -1.46 0.00 0.00 175.22 175.13 1qfp s ARG 97 N -2.25 0.31 0.05 10.12 3.52 0.01 -1.45 118.95 129.27 1qfp s ARG 97 Ca 0.30 0.38 0.05 0.00 -0.13 0.00 0.00 55.73 56.33 1qfp s ARG 97 Cb -0.13 0.15 -0.02 0.00 -1.56 0.00 0.00 34.95 33.38 1qfp s ARG 97 CO 0.23 -0.04 -0.13 -0.59 -0.81 0.00 0.00 175.30 173.95 1qfp s PHE 98 N 0.18 1.17 -0.07 5.12 -0.71 -0.70 -0.51 117.98 122.45 1qfp s PHE 98 Ca -0.00 -0.41 0.03 0.00 -1.04 0.00 0.00 56.93 55.51 1qfp s PHE 98 Cb -0.02 -0.67 0.00 0.00 -1.21 0.00 0.00 43.02 41.12 1qfp s PHE 98 CO 0.00 0.04 -0.18 -1.21 -1.34 0.00 0.00 175.22 172.53 1qfp s GLU 99 N -1.43 2.25 -0.16 1.99 2.02 -0.09 -1.25 118.70 122.03 1qfp s GLU 99 Ca -0.01 -0.63 0.11 0.00 0.02 0.00 0.00 54.97 54.46 1qfp s GLU 99 Cb -0.09 -1.79 -0.18 0.00 0.10 0.00 0.00 34.13 32.18 1qfp s GLU 99 CO 0.02 0.13 0.01 -0.89 0.02 0.00 0.00 175.26 174.54 1qfp n ILE 100 N 3.58 1.07 0.00 -1.63 5.41 0.65 -0.72 119.36 127.71 1qfp n ILE 100 Ca -0.21 -0.61 0.00 0.00 1.00 0.00 0.00 62.75 62.94 1qfp n ILE 100 Cb 0.52 -0.71 0.00 0.00 -0.71 0.00 0.00 39.64 38.74 1qfp n ILE 100 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1qfp n SER 101 N -2.67 0.00 0.00 4.38 7.64 -0.83 -4.78 113.62 117.36 1qfp n SER 101 Ca -0.27 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.61 1qfp n SER 101 Cb 0.97 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 1qfp n SER 101 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1qfp n ASP 102 N 0.00 0.00 0.07 6.43 8.00 -1.26 0.34 116.55 130.12 1qfp n ASP 102 Ca 0.00 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.53 1qfp n ASP 102 Cb 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.28 1qfp n ASP 102 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1qfp n SER 103 N 1.10 0.17 -3.98 -2.24 3.41 -1.26 -3.46 113.62 107.35 1qfp n SER 103 Ca 0.00 0.47 -0.31 0.00 -0.26 0.00 0.00 58.87 58.76 1qfp n SER 103 Cb 0.00 -0.46 -0.12 0.00 -0.26 0.00 0.00 64.21 63.37 1qfp n SER 103 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1qfp s ASN 104 N -3.08 4.66 0.04 4.04 0.01 0.15 -5.05 114.94 115.72 1qfp s ASN 104 Ca -0.01 -3.13 -0.01 0.00 -0.71 0.00 0.00 52.86 49.01 1qfp s ASN 104 Cb 0.02 -1.70 -0.03 0.00 0.41 0.00 0.00 41.25 39.95 1qfp s ASN 104 CO 0.06 -0.24 -0.02 0.00 -1.51 0.00 0.00 177.10 175.39 1qfp s ARG 105 N -0.45 0.51 -0.18 -0.60 1.70 -1.22 -0.26 118.95 118.45 1qfp s ARG 105 Ca 0.19 -1.00 -0.08 0.00 -0.47 0.00 0.00 55.73 54.36 1qfp s ARG 105 Cb -0.21 0.18 0.07 0.00 -0.57 0.00 0.00 34.95 34.42 1qfp s ARG 105 CO -0.03 -0.09 0.41 -0.46 -1.08 0.00 0.00 175.30 174.04 1qfp s TRP 106 N -3.05 -0.65 -0.07 5.89 -0.11 -0.38 -5.01 118.94 115.55 1qfp s TRP 106 Ca -0.01 1.34 0.02 0.00 1.22 0.00 0.00 56.10 58.66 1qfp s TRP 106 Cb 0.02 0.26 -0.03 0.00 -1.50 0.00 0.00 33.47 32.23 1qfp s TRP 106 CO -0.07 -0.38 -0.11 -1.17 -4.62 0.00 0.00 176.95 170.60 1qfp s LEU 107 N 1.76 2.91 -0.34 5.86 2.96 -1.26 -1.73 118.68 128.84 1qfp s LEU 107 Ca -0.07 -0.15 -0.22 0.00 -0.22 0.00 0.00 54.13 53.48 1qfp s LEU 107 Cb -0.09 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 44.98 1qfp s LEU 107 CO -0.13 0.32 0.69 -0.62 -1.32 0.00 0.00 176.35 175.30 1qfp s ASP 108 N -0.58 6.50 0.00 3.68 2.15 -0.53 -4.93 116.67 122.97 1qfp s ASP 108 Ca 0.08 0.33 0.28 0.00 0.43 0.00 0.00 52.55 53.67 1qfp s ASP 108 Cb -0.12 -2.36 1.06 0.00 -0.30 0.00 0.00 42.92 41.21 1qfp s ASP 108 CO 0.02 -0.61 1.79 1.33 -0.17 0.00 0.00 175.17 177.53 1qfp n VAL 109 N 5.60 0.00 -0.09 1.11 0.24 -1.26 -4.06 118.33 119.87 1qfp n VAL 109 Ca 0.01 -0.01 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 1qfp n VAL 109 Cb 0.48 -0.26 -0.08 0.00 -1.47 0.00 0.00 33.84 32.51 1qfp n VAL 109 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1qfp h LYS 110 N 0.06 0.00 0.00 7.34 6.56 -1.97 -3.51 116.57 125.04 1qfp h LYS 110 Ca 0.00 0.00 0.21 0.00 -1.06 0.00 0.00 60.65 59.80 1qfp h LYS 110 Cb 0.47 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.08 1qfp h LYS 110 CO 0.00 0.67 -0.27 0.41 -2.06 0.00 0.00 179.45 178.20 1qfp n GLY 111 N 1.53 -2.07 3.39 3.86 0.00 -1.26 -4.91 105.19 105.74 1qfp n GLY 111 Ca -0.20 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 1qfp n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qfp s THR 112 N -1.63 2.65 -0.24 2.61 2.01 0.10 -4.55 115.64 116.59 1qfp s THR 112 Ca 0.00 -0.87 -0.09 0.00 0.31 0.00 0.00 61.69 61.04 1qfp s THR 112 Cb 0.00 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 1qfp s THR 112 CO 0.00 0.58 0.12 -0.89 -0.69 0.00 0.00 174.62 173.74 1qfp s THR 113 N -0.51 4.87 -0.21 -0.82 2.01 -0.47 0.19 115.64 120.71 1qfp s THR 113 Ca 0.07 0.01 -0.08 0.00 0.31 0.00 0.00 61.69 62.00 1qfp s THR 113 Cb -0.11 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 1qfp s THR 113 CO 0.01 0.34 0.09 -0.69 -0.69 0.00 0.00 174.62 173.68 1qfp s VAL 114 N 1.33 4.89 -0.24 3.82 1.01 0.14 -1.24 120.40 130.10 1qfp s VAL 114 Ca 0.06 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1qfp s VAL 114 Cb -0.15 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 33.04 1qfp s VAL 114 CO 0.05 0.41 -0.11 -0.89 0.00 0.00 0.00 175.10 174.57 1qfp s THR 115 N 0.72 2.39 -0.66 3.92 2.01 -0.19 -1.25 115.64 122.57 1qfp s THR 115 Ca 0.05 -1.30 -0.21 0.00 0.31 0.00 0.00 61.69 60.53 1qfp s THR 115 Cb -0.13 -2.27 0.08 0.00 0.01 0.00 0.00 72.50 70.20 1qfp s THR 115 CO 0.02 0.15 0.91 -0.69 -0.69 0.00 0.00 174.62 174.32 1qfp s VAL 116 N 1.21 4.49 0.59 3.82 1.01 -1.26 -2.00 120.40 128.26 1qfp s VAL 116 Ca -0.03 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.15 1qfp s VAL 116 Cb -0.18 -4.64 -0.04 0.00 0.00 0.00 0.00 36.38 31.53 1qfp s VAL 116 CO -0.06 -1.38 1.12 -0.89 0.00 0.00 0.00 175.10 173.89 1qfp s THR 117 N 3.59 3.24 0.00 3.92 2.01 -0.16 -4.61 115.64 123.63 1qfp s THR 117 Ca 0.20 0.69 0.00 0.00 0.31 0.00 0.00 61.69 62.89 1qfp s THR 117 Cb -0.18 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.10 1qfp s THR 117 CO 0.08 -0.25 0.00 0.35 -0.69 0.00 0.00 174.62 174.11 1qfp n THR 118 N -1.73 0.00 0.00 -0.82 -2.24 -1.26 -3.52 114.28 104.71 1qfp n THR 118 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1qfp n THR 118 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1qfp n THR 118 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97