#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qfo s TRP 2 N 0.00 3.90 0.00 1.09 0.52 -1.26 -2.88 118.94 120.31 1qfo s TRP 2 Ca 0.00 1.67 0.00 0.00 0.02 0.00 0.00 56.10 57.79 1qfo s TRP 2 Cb 0.00 -2.82 0.00 0.00 -1.15 0.00 0.00 33.47 29.50 1qfo s TRP 2 CO 0.00 0.47 0.00 0.41 0.02 0.00 0.00 176.95 177.85 1qfo n GLY 3 N 1.67 1.19 2.88 0.98 0.00 -0.64 -4.95 105.19 106.31 1qfo n GLY 3 Ca -0.04 -0.92 -0.17 0.00 0.00 0.00 0.00 46.02 44.88 1qfo n GLY 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qfo s VAL 4 N -2.00 0.34 -0.19 1.61 1.01 -1.26 -0.63 120.40 119.28 1qfo s VAL 4 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1qfo s VAL 4 Cb 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 36.02 1qfo s VAL 4 CO 0.00 0.16 -0.17 -0.55 0.00 0.00 0.00 175.10 174.54 1qfo s SER 5 N 0.64 3.36 0.15 3.32 0.15 0.20 -4.99 113.70 116.53 1qfo s SER 5 Ca -0.07 -0.60 -0.22 0.00 0.70 0.00 0.00 55.95 55.76 1qfo s SER 5 Cb -0.10 -1.53 0.07 0.00 -1.71 0.00 0.00 66.02 62.74 1qfo s SER 5 CO -0.01 -0.00 0.57 -0.94 1.20 0.00 0.00 173.24 174.06 1qfo s SER 6 N 1.32 -0.53 0.60 5.45 1.04 -1.26 -1.76 113.70 118.56 1qfo s SER 6 Ca 0.05 -0.02 -0.20 0.00 0.48 0.00 0.00 55.95 56.27 1qfo s SER 6 Cb -0.13 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 1qfo s SER 6 CO -0.11 -0.94 1.32 -2.16 0.98 0.00 0.00 173.24 172.33 1qfo s PRO 7 N -3.66 2.86 0.11 4.02 0.04 -1.26 -4.92 135.00 132.20 1qfo s PRO 7 Ca 0.01 2.12 -0.14 0.00 0.04 0.00 0.00 61.00 63.03 1qfo s PRO 7 Cb -0.01 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 1qfo s PRO 7 CO -0.12 -1.37 1.45 -0.22 0.04 0.00 0.00 177.00 176.78 1qfo h LYS 8 N 1.00 0.77 -4.18 4.56 3.64 -1.95 -3.41 116.57 117.00 1qfo h LYS 8 Ca -0.51 -0.39 -0.19 0.00 -1.27 0.00 0.00 60.65 58.29 1qfo h LYS 8 Cb 1.32 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.94 1qfo h LYS 8 CO 0.55 1.01 -0.71 -0.80 -2.27 0.00 0.00 179.45 177.24 1qfo s ASN 9 N -6.58 0.46 -0.01 4.20 0.01 -1.26 -1.08 114.94 110.67 1qfo s ASN 9 Ca -0.12 -0.59 -0.06 0.00 -0.71 0.00 0.00 52.86 51.38 1qfo s ASN 9 Cb 0.10 0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.85 1qfo s ASN 9 CO 0.84 -0.32 0.12 -0.69 -1.51 0.00 0.00 177.10 175.55 1qfo s VAL 10 N -1.81 0.06 -0.02 1.60 1.01 -0.54 -4.92 120.40 115.79 1qfo s VAL 10 Ca -0.11 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1qfo s VAL 10 Cb -0.07 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 1qfo s VAL 10 CO -0.02 -0.27 -0.02 -1.10 0.00 0.00 0.00 175.10 173.69 1qfo s GLN 11 N -0.91 2.76 0.17 2.72 -1.52 -1.26 -1.84 119.66 119.77 1qfo s GLN 11 Ca -0.10 -0.60 -0.01 0.00 -1.95 0.00 0.00 55.36 52.70 1qfo s GLN 11 Cb -0.06 -2.64 -0.04 0.00 -0.22 0.00 0.00 33.01 30.05 1qfo s GLN 11 CO 0.01 0.63 0.10 0.20 -0.25 0.00 0.00 175.29 175.98 1qfo s GLY 12 N -1.36 1.22 -0.01 3.09 0.00 0.54 -4.93 107.32 105.86 1qfo s GLY 12 Ca 0.17 -1.58 0.07 0.00 0.00 0.00 0.00 44.72 43.38 1qfo s GLY 12 CO 0.08 -1.37 -0.23 1.08 0.00 0.00 0.00 173.10 172.66 1qfo s LEU 13 N -3.11 2.26 0.16 0.66 1.43 -1.26 -2.17 118.68 116.65 1qfo s LEU 13 Ca 0.32 -0.42 -0.34 0.00 -1.03 0.00 0.00 54.13 52.66 1qfo s LEU 13 Cb 0.07 -1.39 -0.15 0.00 0.03 0.00 0.00 46.19 44.75 1qfo s LEU 13 CO 0.07 0.31 1.37 -0.24 0.23 0.00 0.00 176.35 178.10 1qfo n SER 14 N 2.26 2.17 0.00 2.29 2.88 -0.36 -1.03 113.62 121.82 1qfo n SER 14 Ca -0.16 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1qfo n SER 14 Cb 0.51 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 1qfo n SER 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qfo n GLY 15 N 2.54 2.74 0.00 0.46 0.00 0.14 -4.90 105.19 106.17 1qfo n GLY 15 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1qfo n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qfo n SER 16 N 0.00 0.00 -4.50 1.61 2.88 -0.20 -4.36 113.62 109.06 1qfo n SER 16 Ca 0.00 -0.69 -0.24 0.00 -1.33 0.00 0.00 58.87 56.61 1qfo n SER 16 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 1qfo n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qfo s LEU 18 N -3.54 0.68 -0.27 0.00 2.96 0.31 -4.81 118.68 114.01 1qfo s LEU 18 Ca 0.32 0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 54.68 1qfo s LEU 18 Cb 0.05 0.67 0.04 0.00 0.50 0.00 0.00 46.19 47.46 1qfo s LEU 18 CO 0.15 -0.14 -0.04 -0.22 -1.32 0.00 0.00 176.35 174.78 1qfo s LEU 19 N 0.92 3.54 -0.44 -0.68 0.20 -1.26 -0.24 118.68 120.73 1qfo s LEU 19 Ca -0.07 -1.12 -0.21 0.00 0.69 0.00 0.00 54.13 53.42 1qfo s LEU 19 Cb -0.08 -1.67 0.02 0.00 -0.43 0.00 0.00 46.19 44.03 1qfo s LEU 19 CO -0.06 -0.20 0.67 -0.63 -0.29 0.00 0.00 176.35 175.85 1qfo s ILE 20 N 1.27 4.79 0.32 6.68 1.01 0.49 -4.94 121.20 130.82 1qfo s ILE 20 Ca -0.03 0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.51 1qfo s ILE 20 Cb -0.18 -4.23 -0.11 0.00 0.01 0.00 0.00 42.46 37.95 1qfo s ILE 20 CO -0.03 -0.62 1.42 -2.16 0.00 0.00 0.00 174.94 173.55 1qfo s PRO 21 N 2.92 4.24 -0.18 2.79 0.04 -1.26 -1.86 135.00 141.68 1qfo s PRO 21 Ca 0.24 2.37 -0.11 0.00 0.04 0.00 0.00 61.00 63.54 1qfo s PRO 21 Cb -0.14 -3.05 0.06 0.00 0.04 0.00 0.00 34.50 31.41 1qfo s PRO 21 CO 0.20 -0.38 0.45 0.00 0.04 0.00 0.00 177.00 177.30 1qfo s ILE 23 N 1.20 0.73 0.28 0.00 1.01 -0.72 -0.41 121.20 123.30 1qfo s ILE 23 Ca -0.08 -0.36 0.07 0.00 0.00 0.00 0.00 60.65 60.28 1qfo s ILE 23 Cb -0.07 -0.64 -0.06 0.00 0.01 0.00 0.00 42.46 41.70 1qfo s ILE 23 CO -0.11 0.22 -0.06 0.72 0.00 0.00 0.00 174.94 175.71 1qfo s PHE 24 N 0.05 1.97 0.05 3.97 -0.71 -0.83 0.58 117.98 123.07 1qfo s PHE 24 Ca -0.01 -0.69 -0.11 0.00 -1.04 0.00 0.00 56.93 55.08 1qfo s PHE 24 Cb -0.07 -1.12 0.01 0.00 -1.21 0.00 0.00 43.02 40.63 1qfo s PHE 24 CO 0.00 0.29 0.24 -1.54 -1.34 0.00 0.00 175.22 172.88 1qfo s SER 25 N -3.45 -0.02 0.09 1.98 1.04 0.19 -4.82 113.70 108.72 1qfo s SER 25 Ca 0.30 -0.36 -0.13 0.00 0.48 0.00 0.00 55.95 56.24 1qfo s SER 25 Cb 0.04 0.33 0.02 0.00 0.10 0.00 0.00 66.02 66.51 1qfo s SER 25 CO 0.12 -0.62 0.31 -0.72 0.98 0.00 0.00 173.24 173.31 1qfo s TYR 26 N -2.86 -0.07 0.64 5.02 1.13 -1.14 -1.62 117.35 118.46 1qfo s TYR 26 Ca -0.03 -0.24 -0.18 0.00 -1.41 0.00 0.00 57.07 55.21 1qfo s TYR 26 Cb 0.00 0.12 -0.02 0.00 -1.10 0.00 0.00 41.96 40.96 1qfo s TYR 26 CO -0.05 -0.60 1.15 -2.30 -2.51 0.00 0.00 175.55 171.23 1qfo n PRO 27 N 0.02 0.96 0.16 -3.49 -0.02 -1.26 -4.43 135.00 126.95 1qfo n PRO 27 Ca -0.16 0.38 0.13 0.00 -2.02 0.00 0.00 63.50 61.83 1qfo n PRO 27 Cb 0.62 -2.38 0.55 0.00 -0.02 0.00 0.00 33.50 32.27 1qfo n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qfo h ALA 28 N 0.41 1.00 -0.01 3.55 0.00 -2.01 -2.86 119.26 119.34 1qfo h ALA 28 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1qfo h ALA 28 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1qfo h ALA 28 CO 0.52 0.00 -0.09 -0.40 0.00 0.00 0.00 179.25 179.27 1qfo n ASP 29 N -2.42 1.09 -4.69 0.00 5.68 -1.26 -4.86 116.55 110.09 1qfo n ASP 29 Ca 0.02 -1.14 -0.42 0.00 -0.50 0.00 0.00 54.79 52.74 1qfo n ASP 29 Cb 0.23 0.03 -0.03 0.00 -1.14 0.00 0.00 41.12 40.22 1qfo n ASP 29 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1qfo s VAL 30 N -2.22 4.76 0.16 2.12 1.01 -1.08 -5.01 120.40 120.14 1qfo s VAL 30 Ca 0.33 2.03 -0.30 0.00 0.00 0.00 0.00 61.98 64.04 1qfo s VAL 30 Cb 0.20 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 1qfo s VAL 30 CO 0.41 0.01 1.08 -2.16 0.00 0.00 0.00 175.10 174.44 1qfo s PRO 31 N 2.01 4.60 0.48 2.72 0.04 -1.26 -5.04 135.00 138.55 1qfo s PRO 31 Ca 0.49 1.67 0.05 0.00 0.04 0.00 0.00 61.00 63.24 1qfo s PRO 31 Cb -0.19 -3.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.03 1qfo s PRO 31 CO 0.18 0.08 0.15 0.08 0.04 0.00 0.00 177.00 177.53 1qfo s VAL 32 N -0.10 1.70 0.33 -0.36 1.01 -1.26 -4.83 120.40 116.89 1qfo s VAL 32 Ca 0.50 -1.80 -0.24 0.00 0.00 0.00 0.00 61.98 60.44 1qfo s VAL 32 Cb -0.28 -2.50 -0.15 0.00 0.00 0.00 0.00 36.38 33.45 1qfo s VAL 32 CO 0.33 0.00 0.47 0.61 0.00 0.00 0.00 175.10 176.52 1qfo n GLY 35 N -1.34 -1.75 3.35 4.51 0.00 -1.26 -5.20 105.19 103.51 1qfo n GLY 35 Ca -0.08 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1qfo n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qfo s ILE 36 N -1.33 3.02 -0.14 -0.61 1.01 -1.26 -4.76 121.20 117.13 1qfo s ILE 36 Ca 0.62 -0.67 -0.23 0.00 0.00 0.00 0.00 60.65 60.37 1qfo s ILE 36 Cb -0.73 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 1qfo s ILE 36 CO 0.59 0.52 0.73 -0.89 0.00 0.00 0.00 174.94 175.88 1qfo s THR 37 N 0.46 4.98 -0.15 2.92 2.01 -0.32 -4.91 115.64 120.64 1qfo s THR 37 Ca -0.09 1.44 -0.05 0.00 0.31 0.00 0.00 61.69 63.30 1qfo s THR 37 Cb -0.16 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 1qfo s THR 37 CO 0.05 0.14 0.02 0.00 -0.69 0.00 0.00 174.62 174.13 1qfo s ALA 38 N 1.55 3.27 -0.03 7.40 0.00 -1.26 -1.07 121.76 131.62 1qfo s ALA 38 Ca 0.35 -0.78 -0.00 0.00 0.00 0.00 0.00 51.96 51.54 1qfo s ALA 38 Cb -0.17 -1.69 0.03 0.00 0.00 0.00 0.00 23.12 21.29 1qfo s ALA 38 CO 0.14 0.32 0.01 0.42 0.00 0.00 0.00 175.76 176.65 1qfo s ILE 39 N -0.03 0.13 -0.15 0.00 1.01 0.32 -1.36 121.20 121.12 1qfo s ILE 39 Ca 0.04 0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.82 1qfo s ILE 39 Cb -0.13 -0.25 -0.02 0.00 0.01 0.00 0.00 42.46 42.08 1qfo s ILE 39 CO 0.02 0.15 -0.10 0.26 0.00 0.00 0.00 174.94 175.27 1qfo s TRP 40 N 1.21 2.88 0.16 3.97 0.52 -0.51 -0.10 118.94 127.06 1qfo s TRP 40 Ca -0.07 -0.61 0.06 0.00 0.02 0.00 0.00 56.10 55.49 1qfo s TRP 40 Cb -0.13 -1.90 -0.04 0.00 -1.15 0.00 0.00 33.47 30.24 1qfo s TRP 40 CO -0.02 -0.22 0.06 0.71 0.02 0.00 0.00 176.95 177.50 1qfo s TYR 41 N 0.51 3.01 -0.13 -1.98 2.02 0.19 -0.10 117.35 120.87 1qfo s TYR 41 Ca -0.07 -0.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 1qfo s TYR 41 Cb -0.15 -1.47 -0.01 0.00 -0.40 0.00 0.00 41.96 39.93 1qfo s TYR 41 CO 0.04 0.51 -0.14 -0.47 -1.57 0.00 0.00 175.55 173.92 1qfo s TYR 42 N -1.68 2.79 -1.26 2.71 5.04 0.81 -1.41 117.35 124.36 1qfo s TYR 42 Ca 0.29 -0.66 -0.09 0.00 -2.44 0.00 0.00 57.07 54.17 1qfo s TYR 42 Cb -0.10 -1.83 -0.01 0.00 0.35 0.00 0.00 41.96 40.37 1qfo s TYR 42 CO 0.21 -0.22 0.66 -3.47 -1.34 0.00 0.00 175.55 171.39 1qfo n ASP 43 N 3.50 -2.84 -0.30 4.32 2.03 0.74 -1.42 116.55 122.59 1qfo n ASP 43 Ca -0.18 -0.96 0.10 0.00 0.52 0.00 0.00 54.79 54.27 1qfo n ASP 43 Cb 0.53 -3.48 0.27 0.00 -0.72 0.00 0.00 41.12 37.72 1qfo n ASP 43 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1qfo h TYR 44 N -1.85 0.70 0.00 -0.67 3.20 -1.84 0.45 116.97 116.95 1qfo h TYR 44 Ca -0.64 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.27 1qfo h TYR 44 Cb 1.36 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.46 1qfo h TYR 44 CO 0.41 0.05 0.00 -1.13 -1.64 0.00 0.00 178.16 175.85 1qfo n SER 45 N -4.97 0.17 0.00 -2.11 3.41 -1.26 -4.21 113.62 104.64 1qfo n SER 45 Ca 0.20 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 1qfo n SER 45 Cb 0.55 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1qfo n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qfo n GLY 46 N 0.91 1.13 0.28 5.00 0.00 0.30 -4.92 105.19 107.90 1qfo n GLY 46 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1qfo n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qfo h LYS 47 N 0.00 0.12 -6.51 1.61 1.57 -1.76 -3.47 116.57 108.12 1qfo h LYS 47 Ca 0.00 -0.01 -0.46 0.00 -1.87 0.00 0.00 60.65 58.31 1qfo h LYS 47 Cb 0.00 -0.03 0.03 0.00 0.08 0.00 0.00 32.23 32.31 1qfo h LYS 47 CO 0.00 0.08 -0.92 -2.13 -0.57 0.00 0.00 179.45 175.91 1qfo n ARG 48 N -4.51 -0.99 -3.66 3.15 0.63 0.13 -4.95 116.66 106.46 1qfo n ARG 48 Ca -0.00 0.50 -0.36 0.00 -0.92 0.00 0.00 57.85 57.07 1qfo n ARG 48 Cb 0.13 -3.28 -0.06 0.00 0.45 0.00 0.00 32.46 29.71 1qfo n ARG 48 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1qfo s GLN 49 N -5.92 3.70 -0.20 -0.14 -0.21 -0.51 -4.88 119.66 111.51 1qfo s GLN 49 Ca 0.32 0.11 -0.25 0.00 0.02 0.00 0.00 55.36 55.57 1qfo s GLN 49 Cb -0.14 -3.11 -0.01 0.00 1.00 0.00 0.00 33.01 30.75 1qfo s GLN 49 CO 0.90 0.65 0.81 0.08 -2.12 0.00 0.00 175.29 175.61 1qfo s VAL 50 N -1.23 4.88 -0.19 1.09 1.01 -1.26 -0.14 120.40 124.56 1qfo s VAL 50 Ca 0.26 1.57 -0.09 0.00 0.00 0.00 0.00 61.98 63.72 1qfo s VAL 50 Cb -0.14 -4.11 -0.21 0.00 0.00 0.00 0.00 36.38 31.92 1qfo s VAL 50 CO 0.14 0.00 0.10 0.52 0.00 0.00 0.00 175.10 175.86 1qfo n VAL 51 N 4.91 1.63 -3.95 2.92 0.31 0.86 -1.05 118.33 123.95 1qfo n VAL 51 Ca 0.04 -0.46 -0.12 0.00 -0.01 0.00 0.00 64.34 63.79 1qfo n VAL 51 Cb 0.48 -1.75 -0.13 0.00 -0.91 0.00 0.00 33.84 31.53 1qfo n VAL 51 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1qfo s ILE 52 N -2.50 0.13 -0.29 2.52 -1.09 -1.13 -4.80 121.20 114.04 1qfo s ILE 52 Ca -0.29 -0.31 0.02 0.00 -2.23 0.00 0.00 60.65 57.84 1qfo s ILE 52 Cb 0.08 -0.16 0.17 0.00 -1.58 0.00 0.00 42.46 40.97 1qfo s ILE 52 CO 0.65 -0.12 0.44 -2.28 -1.23 0.00 0.00 174.94 172.41 1qfo s HIS 53 N -0.43 -1.15 -0.32 3.97 2.46 -1.25 -1.42 115.29 117.13 1qfo s HIS 53 Ca -0.04 0.54 0.27 0.00 0.47 0.00 0.00 55.06 56.30 1qfo s HIS 53 Cb -0.03 -0.04 1.04 0.00 -0.13 0.00 0.00 32.58 33.42 1qfo s HIS 53 CO -0.00 -0.98 1.80 0.66 -2.47 0.00 0.00 174.74 173.75 1qfo h SER 54 N 8.13 0.00 0.08 9.88 4.64 -1.60 -2.90 113.55 131.78 1qfo h SER 54 Ca -0.09 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.03 1qfo h SER 54 Cb 1.14 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.25 1qfo h SER 54 CO 0.25 0.00 -0.82 1.23 -0.87 0.00 0.00 176.83 176.61 1qfo h GLY 55 N 2.59 0.47 -6.29 -0.77 0.00 -1.94 -3.44 103.07 93.69 1qfo h GLY 55 Ca 0.00 -0.98 -0.25 0.00 0.00 0.00 0.00 47.33 46.11 1qfo h GLY 55 CO 0.00 0.86 -0.59 -0.35 0.00 0.00 0.00 176.54 176.46 1qfo s ASP 56 N -6.98 0.47 0.17 0.19 2.15 -1.18 -5.01 116.67 106.48 1qfo s ASP 56 Ca -0.13 -0.91 0.09 0.00 0.43 0.00 0.00 52.55 52.03 1qfo s ASP 56 Cb 0.03 0.99 0.49 0.00 -0.30 0.00 0.00 42.92 44.13 1qfo s ASP 56 CO 0.85 -0.29 1.20 -0.81 -0.17 0.00 0.00 175.17 175.95 1qfo n PRO 57 N 4.80 0.06 0.20 4.34 -0.04 -1.10 -0.88 135.00 142.37 1qfo n PRO 57 Ca 0.06 0.51 0.14 0.00 -0.04 0.00 0.00 63.50 64.17 1qfo n PRO 57 Cb 0.49 -1.82 0.51 0.00 -0.04 0.00 0.00 33.50 32.64 1qfo n PRO 57 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1qfo h LYS 58 N 0.00 0.00 0.00 0.54 6.56 -1.95 -2.73 116.57 118.99 1qfo h LYS 58 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1qfo h LYS 58 Cb 0.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 1qfo h LYS 58 CO 0.00 0.00 -0.03 -0.07 -2.06 0.00 0.00 179.45 177.29 1qfo h LEU 59 N 0.00 0.00 -9.73 2.94 3.38 -1.38 -3.46 115.31 107.07 1qfo h LEU 59 Ca 0.00 -0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1qfo h LEU 59 Cb 0.58 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.40 1qfo h LEU 59 CO 0.00 0.00 0.92 -0.69 0.09 0.00 0.00 178.44 178.77 1qfo s VAL 60 N -3.11 2.15 0.33 1.22 1.01 -1.03 -4.61 120.40 116.35 1qfo s VAL 60 Ca 0.10 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 1qfo s VAL 60 Cb 0.12 -3.08 -0.11 0.00 0.00 0.00 0.00 36.38 33.32 1qfo s VAL 60 CO 0.61 0.01 1.40 -0.62 0.00 0.00 0.00 175.10 176.51 1qfo s ASP 61 N 0.79 6.60 0.52 3.32 2.15 -0.21 -4.80 116.67 125.03 1qfo s ASP 61 Ca 0.68 2.81 0.29 0.00 0.43 0.00 0.00 52.55 56.75 1qfo s ASP 61 Cb -0.48 -2.65 1.42 0.00 -0.30 0.00 0.00 42.92 40.91 1qfo s ASP 61 CO 0.40 -0.69 1.91 0.07 -0.17 0.00 0.00 175.17 176.69 1qfo h LYS 62 N 3.68 0.05 0.00 4.34 -0.00 -1.92 0.95 116.57 123.67 1qfo h LYS 62 Ca -0.49 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.15 1qfo h LYS 62 Cb 1.23 -0.01 -0.00 0.00 -0.00 0.00 0.00 32.23 33.45 1qfo h LYS 62 CO 0.68 0.03 -0.06 -0.09 -0.00 0.00 0.00 179.45 180.02 1qfo h ARG 63 N 0.05 0.00 0.00 0.07 2.43 -1.94 -3.10 114.38 111.89 1qfo h ARG 63 Ca 0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 1qfo h ARG 63 Cb 1.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 1qfo h ARG 63 CO -0.03 0.06 -0.92 1.19 -1.51 0.00 0.00 179.97 178.76 1qfo n PHE 64 N -3.45 0.00 -1.68 2.20 3.72 0.28 -4.90 117.46 113.63 1qfo n PHE 64 Ca -0.02 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.93 1qfo n PHE 64 Cb 0.18 -0.11 -0.04 0.00 -0.94 0.00 0.00 39.48 38.58 1qfo n PHE 64 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1qfo n ARG 65 N -1.52 2.30 -0.36 -1.08 1.74 -0.89 -0.68 116.66 116.18 1qfo n ARG 65 Ca -0.00 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 57.91 1qfo n ARG 65 Cb 0.18 -2.64 0.00 0.00 -1.02 0.00 0.00 32.46 28.99 1qfo n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qfo n GLY 66 N 3.70 1.97 0.06 -0.13 0.00 -1.26 -4.80 105.19 104.74 1qfo n GLY 66 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 1qfo n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qfo n ARG 67 N -2.00 3.81 -4.25 1.61 1.74 0.14 -4.98 116.66 112.73 1qfo n ARG 67 Ca 0.00 -0.22 -0.18 0.00 -0.77 0.00 0.00 57.85 56.68 1qfo n ARG 67 Cb 0.00 -0.86 -0.13 0.00 -1.02 0.00 0.00 32.46 30.45 1qfo n ARG 67 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qfo s ALA 68 N -1.29 0.89 -0.10 7.54 0.00 -1.06 0.28 121.76 128.03 1qfo s ALA 68 Ca 0.04 -0.71 -0.14 0.00 0.00 0.00 0.00 51.96 51.15 1qfo s ALA 68 Cb 0.05 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.09 1qfo s ALA 68 CO 0.20 0.14 0.37 -1.83 0.00 0.00 0.00 175.76 174.63 1qfo s GLU 69 N -1.07 0.54 -0.50 0.00 -1.05 -0.72 -4.97 118.70 110.91 1qfo s GLU 69 Ca -0.01 0.29 -0.28 0.00 -0.15 0.00 0.00 54.97 54.82 1qfo s GLU 69 Cb -0.07 0.25 0.03 0.00 -0.44 0.00 0.00 34.13 33.90 1qfo s GLU 69 CO 0.01 -0.10 1.10 -1.17 0.95 0.00 0.00 175.26 176.04 1qfo s LEU 70 N -0.33 3.69 0.00 1.83 2.96 -1.26 -1.27 118.68 124.30 1qfo s LEU 70 Ca -0.05 0.26 0.20 0.00 -0.22 0.00 0.00 54.13 54.33 1qfo s LEU 70 Cb -0.03 -3.35 0.66 0.00 0.50 0.00 0.00 46.19 43.97 1qfo s LEU 70 CO 0.02 -1.27 1.50 0.23 -1.32 0.00 0.00 176.35 175.52 1qfo n MET 71 N 7.83 1.86 -3.86 1.98 2.81 -0.01 -4.93 117.12 122.79 1qfo n MET 71 Ca 0.09 -1.30 -0.21 0.00 -1.81 0.00 0.00 57.70 54.48 1qfo n MET 71 Cb 0.49 -1.40 -0.02 0.00 -0.71 0.00 0.00 33.22 31.57 1qfo n MET 71 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1qfo s GLY 72 N -1.51 1.40 -0.41 3.03 0.00 -1.18 -4.77 107.32 103.88 1qfo s GLY 72 Ca 0.33 -1.37 -0.10 0.00 0.00 0.00 0.00 44.72 43.58 1qfo s GLY 72 CO 0.26 -1.36 0.25 0.21 0.00 0.00 0.00 173.10 172.47 1qfo s ASN 73 N -4.00 5.68 0.42 1.64 3.84 -1.10 -4.87 114.94 116.55 1qfo s ASN 73 Ca 0.37 -1.37 0.14 0.00 0.21 0.00 0.00 52.86 52.21 1qfo s ASN 73 Cb -0.09 -2.00 1.01 0.00 -0.55 0.00 0.00 41.25 39.62 1qfo s ASN 73 CO 0.28 -0.50 1.93 0.24 -2.79 0.00 0.00 177.10 176.26 1qfo h MET 74 N 8.43 0.44 0.00 0.43 2.86 -1.95 0.58 114.93 125.72 1qfo h MET 74 Ca -0.24 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 1qfo h MET 74 Cb 1.09 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.65 1qfo h MET 74 CO 0.74 0.29 -0.09 0.22 1.06 0.00 0.00 176.91 179.13 1qfo h ASP 75 N 0.46 0.00 -0.57 1.22 3.58 -1.93 -1.22 116.42 117.96 1qfo h ASP 75 Ca 0.35 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.80 1qfo h ASP 75 Cb 0.73 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.78 1qfo h ASP 75 CO -0.11 0.09 0.00 1.41 -2.88 0.00 0.00 179.24 177.75 1qfo n HIS 76 N -3.51 0.81 -3.02 0.28 8.25 0.15 -4.97 115.22 113.21 1qfo n HIS 76 Ca -0.02 -0.52 -0.21 0.00 -0.26 0.00 0.00 57.72 56.72 1qfo n HIS 76 Cb 0.22 -0.03 0.04 0.00 1.12 0.00 0.00 29.99 31.34 1qfo n HIS 76 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1qfo n LYS 77 N 1.12 -4.85 -4.57 -0.41 5.02 -0.46 -4.98 118.16 109.04 1qfo n LYS 77 Ca 0.19 0.83 -0.33 0.00 -2.02 0.00 0.00 58.31 56.99 1qfo n LYS 77 Cb 0.57 -5.56 -0.13 0.00 -0.02 0.00 0.00 35.03 29.88 1qfo n LYS 77 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1qfo s VAL 78 N -3.15 3.48 -0.13 -0.18 1.01 -0.92 -1.97 120.40 118.54 1qfo s VAL 78 Ca 0.31 -0.51 0.16 0.00 0.00 0.00 0.00 61.98 61.94 1qfo s VAL 78 Cb -0.14 -2.50 0.30 0.00 0.00 0.00 0.00 36.38 34.04 1qfo s VAL 78 CO 0.38 0.51 1.15 0.00 0.00 0.00 0.00 175.10 177.14 1qfo n ASN 80 N -1.21 0.17 -4.36 0.00 3.02 -1.23 -4.66 115.26 106.99 1qfo n ASN 80 Ca 0.15 1.15 -0.33 0.00 -0.03 0.00 0.00 54.58 55.52 1qfo n ASN 80 Cb 0.67 -1.00 -0.14 0.00 -0.61 0.00 0.00 39.78 38.69 1qfo n ASN 80 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1qfo s LEU 81 N 0.68 2.76 -0.22 3.41 2.96 -0.78 -0.83 118.68 126.66 1qfo s LEU 81 Ca 0.83 -0.33 -0.06 0.00 -0.22 0.00 0.00 54.13 54.34 1qfo s LEU 81 Cb -1.11 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.92 1qfo s LEU 81 CO 0.55 0.13 0.03 -0.22 -1.32 0.00 0.00 176.35 175.52 1qfo s LEU 82 N 0.55 3.35 -0.18 -0.68 2.96 -0.40 -0.38 118.68 123.89 1qfo s LEU 82 Ca -0.07 -0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 53.61 1qfo s LEU 82 Cb -0.15 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 1qfo s LEU 82 CO 0.03 0.03 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.30 1qfo s LEU 83 N 1.19 3.06 0.20 -0.68 1.43 0.67 -1.76 118.68 122.79 1qfo s LEU 83 Ca 0.04 -0.26 0.08 0.00 -1.03 0.00 0.00 54.13 52.95 1qfo s LEU 83 Cb -0.14 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1qfo s LEU 83 CO 0.02 0.08 0.00 -0.54 0.23 0.00 0.00 176.35 176.14 1qfo s LYS 84 N 0.89 2.38 -1.21 1.70 1.02 0.14 -0.53 119.74 124.14 1qfo s LYS 84 Ca -0.01 -1.20 -0.18 0.00 0.02 0.00 0.00 55.97 54.61 1qfo s LYS 84 Cb -0.15 -2.30 -0.00 0.00 -0.52 0.00 0.00 37.83 34.86 1qfo s LYS 84 CO 0.01 0.43 0.70 -3.47 -0.92 0.00 0.00 175.35 172.10 1qfo n ASP 85 N -0.38 -4.05 -4.72 2.83 2.03 -1.00 -4.86 116.55 106.40 1qfo n ASP 85 Ca -0.09 -1.04 -0.41 0.00 0.52 0.00 0.00 54.79 53.77 1qfo n ASP 85 Cb 0.56 -3.15 0.01 0.00 -0.72 0.00 0.00 41.12 37.82 1qfo n ASP 85 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1qfo n LEU 86 N -4.32 4.28 -4.26 -2.67 4.77 -0.36 -4.65 117.00 109.79 1qfo n LEU 86 Ca -0.14 1.13 -0.20 0.00 -0.03 0.00 0.00 56.01 56.76 1qfo n LEU 86 Cb 0.61 -1.53 -0.12 0.00 -2.33 0.00 0.00 43.42 40.06 1qfo n LEU 86 CO 0.70 -0.48 -0.47 -0.54 -1.33 0.00 0.00 177.39 175.26 1qfo s LYS 87 N -2.23 1.07 0.50 3.23 1.02 -1.26 0.26 119.74 122.33 1qfo s LYS 87 Ca 0.60 -1.21 0.21 0.00 0.02 0.00 0.00 55.97 55.59 1qfo s LYS 87 Cb -0.50 -1.10 1.27 0.00 -0.52 0.00 0.00 37.83 36.99 1qfo s LYS 87 CO 0.59 0.23 2.01 -1.35 -0.92 0.00 0.00 175.35 175.90 1qfo h PRO 88 N 3.72 0.12 0.00 -1.68 0.11 -1.95 0.13 132.00 132.44 1qfo h PRO 88 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1qfo h PRO 88 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1qfo h PRO 88 CO 0.46 0.08 0.00 -0.85 -0.21 0.00 0.00 178.00 177.48 1qfo n GLU 89 N -4.43 0.02 0.00 1.05 0.28 -1.26 -1.97 120.64 114.33 1qfo n GLU 89 Ca 0.08 0.26 0.14 0.00 -0.16 0.00 0.00 57.16 57.49 1qfo n GLU 89 Cb 0.48 -1.53 0.68 0.00 1.43 0.00 0.00 31.44 32.51 1qfo n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1qfo n ASP 90 N -1.56 0.16 -4.77 -1.84 8.00 0.45 -4.84 116.55 112.15 1qfo n ASP 90 Ca 0.03 -0.21 -0.40 0.00 0.71 0.00 0.00 54.79 54.93 1qfo n ASP 90 Cb 0.18 -0.22 -0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1qfo n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1qfo s SER 91 N -2.60 6.29 0.00 -2.24 0.01 -0.83 -4.84 113.70 109.49 1qfo s SER 91 Ca 0.27 2.70 0.00 0.00 1.31 0.00 0.00 55.95 60.22 1qfo s SER 91 Cb 0.20 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1qfo s SER 91 CO 0.48 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.87 1qfo n GLY 92 N 0.66 0.38 3.68 3.44 0.00 -0.34 -4.95 105.19 108.06 1qfo n GLY 92 Ca 0.04 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 1qfo n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qfo s THR 93 N -2.38 4.76 -0.10 2.61 2.01 -1.26 0.45 115.64 121.74 1qfo s THR 93 Ca 0.00 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 61.95 1qfo s THR 93 Cb 0.00 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 1qfo s THR 93 CO 0.00 0.53 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.03 1qfo s TYR 94 N -0.19 2.83 -0.04 4.92 1.51 0.60 -0.18 117.35 126.80 1qfo s TYR 94 Ca 0.07 -0.36 0.04 0.00 -1.01 0.00 0.00 57.07 55.82 1qfo s TYR 94 Cb -0.12 -1.78 -0.00 0.00 -0.11 0.00 0.00 41.96 39.95 1qfo s TYR 94 CO 0.01 0.01 -0.17 -0.80 -1.11 0.00 0.00 175.55 173.50 1qfo s ASN 95 N -0.14 2.06 0.03 2.29 -0.87 -0.50 -0.54 114.94 117.28 1qfo s ASN 95 Ca -0.00 -0.33 -0.10 0.00 -1.57 0.00 0.00 52.86 50.86 1qfo s ASN 95 Cb -0.13 -0.51 -0.05 0.00 -0.02 0.00 0.00 41.25 40.54 1qfo s ASN 95 CO 0.03 0.16 0.35 0.12 -2.57 0.00 0.00 177.10 175.19 1qfo s PHE 96 N -0.04 3.61 -0.02 2.20 5.36 -1.26 -0.64 117.98 127.20 1qfo s PHE 96 Ca -0.02 0.75 0.01 0.00 -0.96 0.00 0.00 56.93 56.71 1qfo s PHE 96 Cb -0.10 -2.12 0.01 0.00 -0.34 0.00 0.00 43.02 40.47 1qfo s PHE 96 CO 0.01 0.58 -0.01 0.50 -1.46 0.00 0.00 175.22 174.85 1qfo s ARG 97 N -1.65 0.23 -0.00 10.12 3.52 0.85 -1.52 118.95 130.50 1qfo s ARG 97 Ca 0.28 0.01 0.04 0.00 -0.13 0.00 0.00 55.73 55.94 1qfo s ARG 97 Cb -0.14 -0.33 -0.01 0.00 -1.56 0.00 0.00 34.95 32.90 1qfo s ARG 97 CO 0.16 -0.06 -0.14 -0.59 -0.81 0.00 0.00 175.30 173.86 1qfo s PHE 98 N 0.55 1.27 -0.11 5.12 -0.71 -0.52 -0.52 117.98 123.05 1qfo s PHE 98 Ca -0.05 -0.26 0.02 0.00 -1.04 0.00 0.00 56.93 55.60 1qfo s PHE 98 Cb -0.08 -0.80 0.01 0.00 -1.21 0.00 0.00 43.02 40.94 1qfo s PHE 98 CO -0.01 -0.01 -0.17 -1.21 -1.34 0.00 0.00 175.22 172.48 1qfo s GLU 99 N -0.47 2.41 -0.16 1.99 2.02 -0.23 -0.85 118.70 123.41 1qfo s GLU 99 Ca 0.05 -0.63 -0.16 0.00 0.02 0.00 0.00 54.97 54.24 1qfo s GLU 99 Cb -0.06 -2.00 -0.06 0.00 0.10 0.00 0.00 34.13 32.11 1qfo s GLU 99 CO -0.00 -0.04 -0.32 -0.89 0.02 0.00 0.00 175.26 174.03 1qfo n ILE 100 N 4.12 1.47 -2.65 -1.63 5.41 0.06 -1.18 119.36 124.97 1qfo n ILE 100 Ca -0.19 0.15 -0.03 0.00 1.00 0.00 0.00 62.75 63.67 1qfo n ILE 100 Cb 0.51 -2.27 0.05 0.00 -0.71 0.00 0.00 39.64 37.23 1qfo n ILE 100 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1qfo n SER 101 N -4.37 -1.06 0.00 4.38 2.88 -1.26 -4.89 113.62 109.30 1qfo n SER 101 Ca -0.14 -0.91 0.00 0.00 -1.33 0.00 0.00 58.87 56.49 1qfo n SER 101 Cb 0.49 0.53 0.00 0.00 -0.75 0.00 0.00 64.21 64.48 1qfo n SER 101 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1qfo n SER 103 N 2.16 0.00 -4.46 -3.46 3.41 -1.26 -4.66 113.62 105.35 1qfo n SER 103 Ca 0.07 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.24 1qfo n SER 103 Cb 0.68 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.63 1qfo n SER 103 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1qfo s ASN 104 N 0.00 7.06 0.04 4.04 0.01 -1.26 -4.92 114.94 119.92 1qfo s ASN 104 Ca 0.00 -2.97 -0.01 0.00 -0.71 0.00 0.00 52.86 49.16 1qfo s ASN 104 Cb 0.00 -2.40 -0.03 0.00 0.41 0.00 0.00 41.25 39.23 1qfo s ASN 104 CO 0.00 -0.75 -0.01 0.00 -1.51 0.00 0.00 177.10 174.82 1qfo s ARG 105 N 1.60 0.54 -0.14 -0.60 1.70 -1.26 -0.76 118.95 120.02 1qfo s ARG 105 Ca 0.42 -1.01 -0.11 0.00 -0.47 0.00 0.00 55.73 54.56 1qfo s ARG 105 Cb -0.03 0.19 0.04 0.00 -0.57 0.00 0.00 34.95 34.58 1qfo s ARG 105 CO -0.00 -0.10 0.37 -0.46 -1.08 0.00 0.00 175.30 174.02 1qfo s TRP 106 N -3.16 -0.46 -0.16 5.89 -0.11 -0.03 -5.01 118.94 115.91 1qfo s TRP 106 Ca -0.00 1.06 0.01 0.00 1.22 0.00 0.00 56.10 58.38 1qfo s TRP 106 Cb 0.02 0.17 0.01 0.00 -1.50 0.00 0.00 33.47 32.17 1qfo s TRP 106 CO -0.07 -0.24 -0.18 -1.17 -4.62 0.00 0.00 176.95 170.67 1qfo s LEU 107 N 0.65 2.32 -0.38 5.86 2.96 -1.26 -1.44 118.68 127.39 1qfo s LEU 107 Ca -0.04 -0.54 -0.29 0.00 -0.22 0.00 0.00 54.13 53.05 1qfo s LEU 107 Cb -0.05 -1.52 0.02 0.00 0.50 0.00 0.00 46.19 45.14 1qfo s LEU 107 CO -0.04 0.07 1.08 -0.62 -1.32 0.00 0.00 176.35 175.52 1qfo s ASP 108 N 0.91 6.80 0.41 3.68 2.15 -0.58 -4.88 116.67 125.16 1qfo s ASP 108 Ca -0.04 0.79 0.22 0.00 0.43 0.00 0.00 52.55 53.95 1qfo s ASP 108 Cb -0.15 -2.54 0.42 0.00 -0.30 0.00 0.00 42.92 40.35 1qfo s ASP 108 CO -0.03 -1.02 1.62 -0.37 -0.17 0.00 0.00 175.17 175.21 1qfo h VAL 109 N 5.92 0.29 0.15 1.11 -1.51 -1.98 -3.36 116.25 116.88 1qfo h VAL 109 Ca -0.22 -1.30 -0.01 0.00 -1.23 0.00 0.00 66.70 63.94 1qfo h VAL 109 Cb 1.06 2.05 0.00 0.00 -2.13 0.00 0.00 31.29 32.27 1qfo h VAL 109 CO 1.06 0.16 -0.07 0.11 -1.23 0.00 0.00 177.57 177.60 1qfo h LYS 110 N 0.00 -0.20 0.00 5.19 1.57 -1.97 -3.50 116.57 117.67 1qfo h LYS 110 Ca -0.00 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1qfo h LYS 110 Cb 1.04 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 1qfo h LYS 110 CO 0.02 -0.13 -0.02 0.41 -0.57 0.00 0.00 179.45 179.16 1qfo n GLY 111 N 0.04 -2.08 2.97 3.86 0.00 -1.26 -4.90 105.19 103.83 1qfo n GLY 111 Ca -0.03 -1.43 -0.24 0.00 0.00 0.00 0.00 46.02 44.33 1qfo n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qfo s THR 112 N -0.39 0.96 -0.18 2.61 2.01 0.30 -4.67 115.64 116.28 1qfo s THR 112 Ca 0.00 -0.35 -0.14 0.00 0.31 0.00 0.00 61.69 61.51 1qfo s THR 112 Cb 0.00 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 1qfo s THR 112 CO 0.00 0.32 0.32 -0.89 -0.69 0.00 0.00 174.62 173.69 1qfo s THR 113 N 0.93 5.27 -0.10 -0.82 2.01 -0.24 -0.29 115.64 122.40 1qfo s THR 113 Ca -0.10 0.58 -0.03 0.00 0.31 0.00 0.00 61.69 62.45 1qfo s THR 113 Cb -0.15 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 1qfo s THR 113 CO 0.01 0.34 0.03 -0.69 -0.69 0.00 0.00 174.62 173.62 1qfo s VAL 114 N 0.78 4.56 -0.15 3.82 1.01 0.17 -1.46 120.40 129.14 1qfo s VAL 114 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1qfo s VAL 114 Cb -0.14 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.32 1qfo s VAL 114 CO 0.05 0.59 -0.15 -0.89 0.00 0.00 0.00 175.10 174.71 1qfo s THR 115 N -0.78 1.64 -0.22 3.92 2.01 -0.77 -1.19 115.64 120.25 1qfo s THR 115 Ca 0.12 -0.68 -0.02 0.00 0.31 0.00 0.00 61.69 61.43 1qfo s THR 115 Cb -0.12 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 70.87 1qfo s THR 115 CO 0.02 0.47 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.65 1qfo s VAL 116 N 1.46 2.90 0.40 3.82 1.01 -1.26 -0.34 120.40 128.39 1qfo s VAL 116 Ca 0.05 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.32 1qfo s VAL 116 Cb -0.13 -2.35 -0.08 0.00 0.00 0.00 0.00 36.38 33.82 1qfo s VAL 116 CO -0.11 0.37 0.02 0.42 0.00 0.00 0.00 175.10 175.80 1qfo s THR 117 N 1.38 1.85 -2.27 3.92 -4.23 -0.92 -4.59 115.64 110.78 1qfo s THR 117 Ca 0.04 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.85 1qfo s THR 117 Cb -0.15 -2.96 0.71 0.00 1.34 0.00 0.00 72.50 71.45 1qfo s THR 117 CO -0.06 0.00 1.96 0.41 -0.54 0.00 0.00 174.62 176.40