#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w42 s VAL 1 N 0.00 3.55 -0.63 1.12 1.01 -1.26 -4.96 120.40 119.22 1w42 s VAL 1 Ca 0.00 0.71 -0.27 0.00 0.00 0.00 0.00 61.98 62.42 1w42 s VAL 1 Cb 0.00 -3.46 0.04 0.00 0.00 0.00 0.00 36.38 32.96 1w42 s VAL 1 CO 0.00 -0.05 1.15 -0.62 0.00 0.00 0.00 175.10 175.58 1w42 s ASP 2 N 3.19 6.31 0.10 3.32 3.68 -1.26 -4.94 116.67 127.07 1w42 s ASP 2 Ca 0.73 -0.26 -0.26 0.00 2.13 0.00 0.00 52.55 54.89 1w42 s ASP 2 Cb -0.34 -2.52 -0.11 0.00 -1.45 0.00 0.00 42.92 38.50 1w42 s ASP 2 CO 0.30 -1.54 1.67 0.15 0.13 0.00 0.00 175.17 175.87 1w42 h PHE 3 N 9.66 -0.46 -0.48 -5.34 3.57 -1.99 -0.80 116.94 121.09 1w42 h PHE 3 Ca -0.26 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.29 1w42 h PHE 3 Cb 1.06 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.94 1w42 h PHE 3 CO 1.04 -0.26 0.22 0.00 -2.23 0.00 0.00 178.31 177.07 1w42 h ALA 4 N 0.43 0.61 0.18 2.41 0.00 -1.99 0.38 119.26 121.27 1w42 h ALA 4 Ca 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1w42 h ALA 4 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1w42 h ALA 4 CO -0.06 -0.14 -0.08 0.35 0.00 0.00 0.00 179.25 179.31 1w42 h PHE 5 N 0.44 -0.22 -0.17 0.00 3.57 -1.90 -2.30 116.94 116.35 1w42 h PHE 5 Ca 0.22 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.61 1w42 h PHE 5 Cb 0.16 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1w42 h PHE 5 CO -0.12 -0.02 -0.36 0.93 -2.23 0.00 0.00 178.31 176.51 1w42 h GLU 6 N -0.39 0.36 -0.20 1.11 4.39 -1.03 0.04 114.58 118.86 1w42 h GLU 6 Ca -0.02 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.50 1w42 h GLU 6 Cb 0.30 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1w42 h GLU 6 CO 0.04 0.68 0.06 1.25 -1.16 0.00 0.00 179.01 179.87 1w42 h LEU 7 N 0.31 0.30 -0.77 1.33 5.85 -0.91 0.98 115.31 122.39 1w42 h LEU 7 Ca 0.03 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.47 1w42 h LEU 7 Cb 0.78 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1w42 h LEU 7 CO 0.06 0.44 0.17 -0.09 -0.34 0.00 0.00 178.44 178.69 1w42 h ARG 8 N 0.15 1.10 -0.56 1.25 2.43 -1.24 -1.23 114.38 116.29 1w42 h ARG 8 Ca 0.06 -0.26 -0.06 0.00 -0.81 0.00 0.00 59.98 58.92 1w42 h ARG 8 Cb 0.25 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1w42 h ARG 8 CO -0.00 0.97 0.12 -0.22 -1.51 0.00 0.00 179.97 179.33 1w42 h LYS 9 N 1.05 0.86 -0.39 0.20 3.64 -0.69 -0.12 116.57 121.13 1w42 h LYS 9 Ca 0.22 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1w42 h LYS 9 Cb 0.36 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1w42 h LYS 9 CO 0.00 0.78 0.14 0.00 -2.27 0.00 0.00 179.45 178.10 1w42 h ALA 10 N 1.30 0.51 -0.79 5.00 0.00 -0.47 -0.86 119.26 123.96 1w42 h ALA 10 Ca 0.18 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1w42 h ALA 10 Cb 0.32 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1w42 h ALA 10 CO 0.00 0.14 0.51 0.37 0.00 0.00 0.00 179.25 180.26 1w42 h GLN 11 N 0.49 0.97 0.02 0.00 4.15 -0.59 0.20 115.11 120.35 1w42 h GLN 11 Ca 0.13 -0.06 -0.25 0.00 0.77 0.00 0.00 58.65 59.23 1w42 h GLN 11 Cb 0.23 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 1w42 h GLN 11 CO -0.01 0.64 -1.34 -0.44 -1.93 0.00 0.00 178.83 175.76 1w42 h ASP 12 N 1.00 0.06 0.00 -0.69 3.32 -0.94 -3.38 116.42 115.80 1w42 h ASP 12 Ca 0.31 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1w42 h ASP 12 Cb -0.03 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1w42 h ASP 12 CO -0.10 1.07 -0.49 0.35 -1.72 0.00 0.00 179.24 178.35 1w42 n THR 13 N -3.26 0.00 0.00 0.35 -2.24 -0.34 -5.03 114.28 103.77 1w42 n THR 13 Ca -0.09 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1w42 n THR 13 Cb 1.00 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 70.13 1w42 n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w42 n GLY 14 N 1.30 2.74 3.23 3.38 0.00 0.70 -4.32 105.19 112.22 1w42 n GLY 14 Ca 0.01 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 1w42 n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1w42 s LYS 15 N 4.17 0.35 0.12 1.61 2.20 0.18 -4.87 119.74 123.49 1w42 s LYS 15 Ca 0.00 0.98 0.10 0.00 -0.36 0.00 0.00 55.97 56.69 1w42 s LYS 15 Cb 0.00 0.24 -0.04 0.00 -1.51 0.00 0.00 37.83 36.52 1w42 s LYS 15 CO 0.00 -0.32 -0.25 0.96 -0.36 0.00 0.00 175.35 175.38 1w42 s ILE 16 N 2.62 2.08 -0.03 5.43 -4.36 -1.26 -0.94 121.20 124.74 1w42 s ILE 16 Ca 0.01 -1.69 0.06 0.00 -0.26 0.00 0.00 60.65 58.76 1w42 s ILE 16 Cb -0.13 -1.85 -0.01 0.00 1.25 0.00 0.00 42.46 41.72 1w42 s ILE 16 CO -0.14 0.03 -0.20 0.68 0.24 0.00 0.00 174.94 175.56 1w42 s VAL 17 N -1.11 1.59 -0.08 8.37 -7.23 -0.20 -4.96 120.40 116.79 1w42 s VAL 17 Ca 0.12 -0.84 -0.03 0.00 -1.81 0.00 0.00 61.98 59.42 1w42 s VAL 17 Cb -0.10 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.47 1w42 s VAL 17 CO 0.05 0.45 0.04 -0.04 -0.31 0.00 0.00 175.10 175.30 1w42 s MET 18 N -0.31 3.08 0.00 4.82 -1.94 -0.96 -0.52 119.30 123.47 1w42 s MET 18 Ca 0.04 -0.37 0.00 0.00 -1.71 0.00 0.00 55.69 53.65 1w42 s MET 18 Cb -0.09 -2.88 0.00 0.00 2.01 0.00 0.00 34.83 33.87 1w42 s MET 18 CO 0.00 0.71 0.00 0.41 -0.01 0.00 0.00 175.02 176.13 1w42 n GLY 19 N 1.93 2.57 0.21 -0.03 0.00 0.18 -4.63 105.19 105.43 1w42 n GLY 19 Ca -0.18 -1.81 -0.06 0.00 0.00 0.00 0.00 46.02 43.97 1w42 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w42 h ALA 20 N 0.00 0.67 0.36 4.61 0.00 -1.94 -1.46 119.26 121.50 1w42 h ALA 20 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1w42 h ALA 20 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1w42 h ALA 20 CO 0.00 0.05 -0.34 -0.09 0.00 0.00 0.00 179.25 178.87 1w42 h ARG 21 N 0.65 -0.69 -0.74 0.00 2.43 -1.95 -0.45 114.38 113.63 1w42 h ARG 21 Ca 0.20 0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.39 1w42 h ARG 21 Cb -0.01 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1w42 h ARG 21 CO -0.08 -0.46 0.32 0.87 -1.51 0.00 0.00 179.97 179.11 1w42 h LYS 22 N -0.72 1.09 -0.93 0.20 1.57 -1.81 -1.80 116.57 114.17 1w42 h LYS 22 Ca -0.02 -0.18 0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1w42 h LYS 22 Cb 0.64 -0.18 -0.07 0.00 0.08 0.00 0.00 32.23 32.70 1w42 h LYS 22 CO -0.05 0.88 0.59 0.77 -0.57 0.00 0.00 179.45 181.07 1w42 h SER 23 N 1.06 0.92 -0.15 0.86 0.02 -0.99 -1.45 113.55 113.83 1w42 h SER 23 Ca 0.25 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.18 1w42 h SER 23 Cb 0.18 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1w42 h SER 23 CO -0.02 0.57 -0.05 0.40 -1.14 0.00 0.00 176.83 176.59 1w42 h ILE 24 N 1.05 1.30 -0.42 3.27 1.08 -0.70 -1.61 117.51 121.49 1w42 h ILE 24 Ca 0.41 -1.05 0.08 0.00 -0.39 0.00 0.00 64.86 63.91 1w42 h ILE 24 Cb 0.22 1.69 -0.07 0.00 -3.07 0.00 0.00 36.82 35.60 1w42 h ILE 24 CO -0.19 0.31 0.00 1.56 -0.69 0.00 0.00 178.15 179.14 1w42 h GLN 25 N -0.03 0.11 -0.59 2.37 4.20 -1.03 0.33 115.11 120.47 1w42 h GLN 25 Ca 0.03 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 1w42 h GLN 25 Cb 0.50 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 1w42 h GLN 25 CO 0.02 0.07 0.05 1.88 -0.67 0.00 0.00 178.83 180.18 1w42 h TYR 26 N 0.11 1.06 -0.47 2.96 0.05 -1.28 -2.67 116.97 116.73 1w42 h TYR 26 Ca 0.21 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1w42 h TYR 26 Cb 0.29 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 1w42 h TYR 26 CO -0.27 0.92 0.30 0.00 -1.05 0.00 0.00 178.16 178.06 1w42 h ALA 27 N 1.12 0.60 -0.95 3.88 0.00 -0.59 0.45 119.26 123.78 1w42 h ALA 27 Ca 0.18 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1w42 h ALA 27 Cb 0.47 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1w42 h ALA 27 CO 0.02 0.08 0.63 0.87 0.00 0.00 0.00 179.25 180.84 1w42 h LYS 28 N 0.64 1.24 -0.00 0.00 1.57 -0.77 -2.33 116.57 116.91 1w42 h LYS 28 Ca 0.17 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1w42 h LYS 28 Cb -0.03 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.00 1w42 h LYS 28 CO -0.03 0.82 -0.17 0.00 -0.57 0.00 0.00 179.45 179.50 1w42 n MET 29 N -4.43 0.58 -2.07 3.15 0.00 -1.02 -4.93 117.12 108.40 1w42 n MET 29 Ca 0.11 -0.23 -0.07 0.00 0.00 0.00 0.00 57.70 57.51 1w42 n MET 29 Cb 0.02 -1.50 -0.01 0.00 0.00 0.00 0.00 33.22 31.74 1w42 n MET 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1w42 n GLY 30 N 1.33 0.14 0.03 3.17 0.00 -0.30 -4.94 105.19 104.62 1w42 n GLY 30 Ca 0.12 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.65 1w42 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w42 n GLY 31 N -1.08 -1.20 3.90 -0.02 0.00 0.14 -4.90 105.19 102.04 1w42 n GLY 31 Ca -0.08 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 1w42 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w42 s ALA 32 N -3.20 3.79 -0.25 4.61 0.00 -1.23 -4.67 121.76 120.81 1w42 s ALA 32 Ca 0.03 -0.63 0.20 0.00 0.00 0.00 0.00 51.96 51.57 1w42 s ALA 32 Cb 0.14 -2.10 -0.29 0.00 0.00 0.00 0.00 23.12 20.87 1w42 s ALA 32 CO 0.81 0.59 0.54 1.63 0.00 0.00 0.00 175.76 179.33 1w42 n LYS 33 N -0.15 0.59 -3.61 0.00 5.02 0.11 -4.90 118.16 115.22 1w42 n LYS 33 Ca -0.03 -0.14 -0.14 0.00 -2.02 0.00 0.00 58.31 55.98 1w42 n LYS 33 Cb 0.52 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 34.00 1w42 n LYS 33 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1w42 s LEU 34 N -4.05 -0.68 -0.11 -0.35 2.96 -1.16 -4.36 118.68 110.93 1w42 s LEU 34 Ca -0.04 1.22 0.02 0.00 -0.22 0.00 0.00 54.13 55.11 1w42 s LEU 34 Cb 0.13 2.37 -0.01 0.00 0.50 0.00 0.00 46.19 49.18 1w42 s LEU 34 CO 0.84 -0.29 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.78 1w42 s ILE 35 N 0.09 2.69 -0.13 6.68 1.01 -0.70 -0.60 121.20 130.23 1w42 s ILE 35 Ca -0.01 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 59.83 1w42 s ILE 35 Cb -0.04 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 1w42 s ILE 35 CO 0.01 0.54 -0.12 -0.63 0.00 0.00 0.00 174.94 174.74 1w42 s ILE 36 N 0.19 3.11 -0.05 2.92 1.01 -0.43 -0.37 121.20 127.59 1w42 s ILE 36 Ca -0.10 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 59.97 1w42 s ILE 36 Cb -0.16 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 1w42 s ILE 36 CO 0.06 0.52 -0.24 0.68 0.00 0.00 0.00 174.94 175.96 1w42 s VAL 37 N 0.36 1.94 0.60 2.92 -7.23 -0.57 -1.23 120.40 117.19 1w42 s VAL 37 Ca -0.10 -1.01 -0.18 0.00 -1.81 0.00 0.00 61.98 58.87 1w42 s VAL 37 Cb -0.16 -1.64 -0.03 0.00 0.56 0.00 0.00 36.38 35.12 1w42 s VAL 37 CO 0.05 0.54 1.16 0.00 -0.31 0.00 0.00 175.10 176.55 1w42 s ALA 38 N -0.24 2.54 0.39 1.32 0.00 0.16 -0.61 121.76 125.31 1w42 s ALA 38 Ca -0.00 0.85 0.27 0.00 0.00 0.00 0.00 51.96 53.07 1w42 s ALA 38 Cb -0.12 -3.40 1.38 0.00 0.00 0.00 0.00 23.12 20.98 1w42 s ALA 38 CO 0.02 -1.13 2.04 0.07 0.00 0.00 0.00 175.76 176.77 1w42 h ARG 39 N 0.71 0.00 -0.67 0.00 0.11 -1.14 -1.81 114.38 111.59 1w42 h ARG 39 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 1w42 h ARG 39 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1w42 h ARG 39 CO 0.55 0.13 0.00 0.27 0.10 0.00 0.00 179.97 181.02 1w42 n ASN 40 N -3.63 4.71 -4.66 0.08 6.94 -1.26 -4.97 115.26 112.47 1w42 n ASN 40 Ca -0.02 -2.42 -0.42 0.00 -0.02 0.00 0.00 54.58 51.71 1w42 n ASN 40 Cb 0.26 -0.58 0.01 0.00 -2.36 0.00 0.00 39.78 37.11 1w42 n ASN 40 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1w42 n ALA 41 N 1.17 0.84 -1.64 -2.53 0.00 -0.68 -4.84 120.51 112.82 1w42 n ALA 41 Ca 0.26 0.28 -0.48 0.00 0.00 0.00 0.00 53.44 53.49 1w42 n ALA 41 Cb 0.88 -2.19 -0.05 0.00 0.00 0.00 0.00 19.45 18.09 1w42 n ALA 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1w42 n ARG 42 N 0.19 1.80 -0.26 0.00 0.63 -1.26 -4.70 116.66 113.06 1w42 n ARG 42 Ca 0.07 0.65 0.07 0.00 -0.92 0.00 0.00 57.85 57.72 1w42 n ARG 42 Cb 0.38 -2.38 0.20 0.00 0.45 0.00 0.00 32.46 31.11 1w42 n ARG 42 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1w42 h PRO 43 N 5.56 0.21 -0.16 -0.14 0.11 -1.97 0.40 132.00 136.02 1w42 h PRO 43 Ca -0.46 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 1w42 h PRO 43 Cb 1.28 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1w42 h PRO 43 CO 0.85 0.14 -0.46 0.38 -0.21 0.00 0.00 178.00 178.70 1w42 h ASP 44 N 0.22 0.42 -0.26 -2.05 2.03 -1.99 -1.37 116.42 113.42 1w42 h ASP 44 Ca 0.44 -0.20 -0.06 0.00 -0.73 0.00 0.00 57.03 56.48 1w42 h ASP 44 Cb 0.79 -0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 39.16 1w42 h ASP 44 CO -0.57 0.82 -0.07 0.40 -1.03 0.00 0.00 179.24 178.79 1w42 h ILE 45 N 0.32 1.28 -0.45 4.15 1.08 -1.48 -0.46 117.51 121.95 1w42 h ILE 45 Ca 0.02 -1.09 0.05 0.00 -0.39 0.00 0.00 64.86 63.45 1w42 h ILE 45 Cb 0.93 1.46 -0.04 0.00 -3.07 0.00 0.00 36.82 36.09 1w42 h ILE 45 CO 0.08 0.34 0.20 0.50 -0.69 0.00 0.00 178.15 178.58 1w42 h LYS 46 N 0.26 0.39 -0.76 2.37 3.64 -0.87 -0.50 116.57 121.09 1w42 h LYS 46 Ca 0.07 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1w42 h LYS 46 Cb 0.54 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 1w42 h LYS 46 CO 0.03 0.26 0.37 0.93 -2.27 0.00 0.00 179.45 178.76 1w42 h GLU 47 N 0.40 1.10 -0.12 1.90 5.08 -1.14 0.59 114.58 122.39 1w42 h GLU 47 Ca 0.20 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1w42 h GLU 47 Cb 0.15 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1w42 h GLU 47 CO -0.17 0.86 0.06 -0.44 -1.00 0.00 0.00 179.01 178.32 1w42 h ASP 48 N 1.08 0.16 -0.30 1.42 3.32 -0.76 -0.35 116.42 120.99 1w42 h ASP 48 Ca 0.26 -0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.26 1w42 h ASP 48 Cb 0.12 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1w42 h ASP 48 CO -0.03 0.21 0.02 0.40 -1.72 0.00 0.00 179.24 178.12 1w42 h ILE 49 N 0.09 0.81 -0.98 0.35 2.04 -0.82 0.03 117.51 119.03 1w42 h ILE 49 Ca 0.04 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1w42 h ILE 49 Cb 0.09 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 1w42 h ILE 49 CO -0.01 0.02 0.63 -0.33 0.00 0.00 0.00 178.15 178.47 1w42 h GLU 50 N 0.12 1.31 0.62 2.37 5.08 -0.73 -0.29 114.58 123.06 1w42 h GLU 50 Ca 0.14 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1w42 h GLU 50 Cb 0.18 -0.29 0.01 0.00 0.50 0.00 0.00 28.75 29.14 1w42 h GLU 50 CO -0.22 0.88 -0.30 -0.92 -1.00 0.00 0.00 179.01 177.46 1w42 h TYR 51 N 1.34 -0.77 -0.24 4.33 3.20 -0.57 -1.40 116.97 122.86 1w42 h TYR 51 Ca 0.36 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.15 1w42 h TYR 51 Cb -0.12 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1w42 h TYR 51 CO 0.00 -0.44 -0.10 1.88 -1.64 0.00 0.00 178.16 177.86 1w42 h TYR 52 N -0.99 0.40 -0.54 -3.82 0.05 -0.82 -1.94 116.97 109.31 1w42 h TYR 52 Ca -0.09 -0.05 -0.07 0.00 0.05 0.00 0.00 58.73 58.58 1w42 h TYR 52 Cb 0.68 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.29 1w42 h TYR 52 CO -0.01 0.48 0.07 0.00 -1.05 0.00 0.00 178.16 177.66 1w42 h ALA 53 N 1.54 0.72 -0.53 3.88 0.00 -1.07 -2.90 119.26 120.89 1w42 h ALA 53 Ca 0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1w42 h ALA 53 Cb 0.40 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1w42 h ALA 53 CO 0.02 0.47 0.22 -0.09 0.00 0.00 0.00 179.25 179.87 1w42 h ARG 54 N 0.79 0.76 -0.70 0.00 2.43 -0.61 1.00 114.38 118.04 1w42 h ARG 54 Ca 0.16 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1w42 h ARG 54 Cb 0.43 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1w42 h ARG 54 CO 0.01 0.62 0.44 -0.07 -1.51 0.00 0.00 179.97 179.46 1w42 h LEU 55 N 0.75 0.82 -0.85 3.80 3.38 -1.17 -3.04 115.31 119.00 1w42 h LEU 55 Ca 0.18 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1w42 h LEU 55 Cb 0.14 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1w42 h LEU 55 CO -0.02 0.62 -0.51 -1.20 0.09 0.00 0.00 178.44 177.42 1w42 n SER 56 N -4.41 1.84 -0.71 -0.43 7.64 -0.92 -4.98 113.62 111.65 1w42 n SER 56 Ca 0.07 -1.41 -0.06 0.00 1.01 0.00 0.00 58.87 58.48 1w42 n SER 56 Cb 0.05 0.50 -0.01 0.00 -1.01 0.00 0.00 64.21 63.75 1w42 n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1w42 n GLY 57 N 1.42 0.18 3.67 0.23 0.00 0.12 -5.02 105.19 105.79 1w42 n GLY 57 Ca 0.09 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 1w42 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1w42 s ILE 58 N -2.31 5.10 0.45 -0.61 1.01 0.06 -5.01 121.20 119.89 1w42 s ILE 58 Ca 0.00 0.99 -0.24 0.00 0.00 0.00 0.00 60.65 61.40 1w42 s ILE 58 Cb 0.00 -3.86 -0.08 0.00 0.01 0.00 0.00 42.46 38.54 1w42 s ILE 58 CO 0.00 0.19 1.26 -2.16 0.00 0.00 0.00 174.94 174.22 1w42 s PRO 59 N 1.54 3.76 -0.08 2.79 0.04 -1.26 -4.39 135.00 137.41 1w42 s PRO 59 Ca 0.25 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.35 1w42 s PRO 59 Cb -0.15 -2.55 -0.02 0.00 0.04 0.00 0.00 34.50 31.81 1w42 s PRO 59 CO 0.10 -0.62 -0.17 0.08 0.04 0.00 0.00 177.00 176.43 1w42 s VAL 60 N -1.37 2.78 -0.11 -0.36 1.01 -1.26 -1.72 120.40 119.37 1w42 s VAL 60 Ca 0.62 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.82 1w42 s VAL 60 Cb -0.35 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 33.94 1w42 s VAL 60 CO 0.43 0.57 -0.20 -0.47 0.00 0.00 0.00 175.10 175.43 1w42 s TYR 61 N -0.25 2.35 -0.36 5.22 6.14 0.50 -4.96 117.35 125.99 1w42 s TYR 61 Ca 0.01 -1.08 -0.21 0.00 0.64 0.00 0.00 57.07 56.43 1w42 s TYR 61 Cb -0.13 -1.62 0.00 0.00 0.42 0.00 0.00 41.96 40.64 1w42 s TYR 61 CO 0.03 -0.49 0.66 -2.00 0.64 0.00 0.00 175.55 174.39 1w42 s GLU 62 N 0.69 3.68 0.16 4.97 2.12 -1.26 -1.51 118.70 127.55 1w42 s GLU 62 Ca -0.11 0.08 -0.31 0.00 0.36 0.00 0.00 54.97 54.99 1w42 s GLU 62 Cb -0.16 -3.81 -0.09 0.00 0.26 0.00 0.00 34.13 30.33 1w42 s GLU 62 CO 0.02 -0.77 1.39 0.12 -0.54 0.00 0.00 175.26 175.48 1w42 s PHE 63 N 2.79 3.21 0.12 5.30 5.99 0.21 -4.91 117.98 130.69 1w42 s PHE 63 Ca 0.26 1.01 0.33 0.00 0.00 0.00 0.00 56.93 58.53 1w42 s PHE 63 Cb -0.14 -3.70 1.62 0.00 0.00 0.00 0.00 43.02 40.80 1w42 s PHE 63 CO 0.15 -2.36 2.00 1.49 -0.00 0.00 0.00 175.22 176.50 1w42 h GLU 64 N 6.18 0.00 0.00 10.12 4.81 -1.96 -2.76 114.58 130.97 1w42 h GLU 64 Ca -0.43 0.00 -0.43 0.00 -0.13 0.00 0.00 59.36 58.37 1w42 h GLU 64 Cb 1.21 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.61 1w42 h GLU 64 CO 0.83 0.00 -0.08 0.41 -0.73 0.00 0.00 179.01 179.45 1w42 n GLY 65 N -0.61 2.03 3.92 1.92 0.00 -1.26 -4.78 105.19 106.41 1w42 n GLY 65 Ca -0.01 -2.22 -0.27 0.00 0.00 0.00 0.00 46.02 43.52 1w42 n GLY 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1w42 s THR 66 N -2.16 2.14 0.47 2.61 -4.23 -1.26 -2.25 115.64 110.96 1w42 s THR 66 Ca 0.51 -0.17 0.24 0.00 -1.18 0.00 0.00 61.69 61.09 1w42 s THR 66 Cb -0.04 -2.97 0.27 0.00 1.34 0.00 0.00 72.50 71.10 1w42 s THR 66 CO 0.32 0.00 2.09 0.77 -0.54 0.00 0.00 174.62 177.27 1w42 h SER 67 N -0.88 0.00 0.06 3.99 4.64 -1.92 -1.25 113.55 118.19 1w42 h SER 67 Ca -0.44 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1w42 h SER 67 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1w42 h SER 67 CO 0.58 0.11 -0.03 0.58 -0.87 0.00 0.00 176.83 177.19 1w42 h VAL 68 N 0.00 1.13 -0.94 0.95 2.07 -1.90 -1.12 116.25 116.45 1w42 h VAL 68 Ca -0.00 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1w42 h VAL 68 Cb 0.25 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 1w42 h VAL 68 CO 0.01 0.16 0.62 -0.33 0.02 0.00 0.00 177.57 178.06 1w42 h GLU 69 N -0.38 1.22 -0.27 1.57 5.08 -1.79 -0.43 114.58 119.59 1w42 h GLU 69 Ca -0.01 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1w42 h GLU 69 Cb 0.33 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1w42 h GLU 69 CO 0.01 0.81 -0.03 1.25 -1.00 0.00 0.00 179.01 180.05 1w42 h LEU 70 N 1.26 0.49 -0.38 1.33 5.85 -1.28 -0.39 115.31 122.19 1w42 h LEU 70 Ca 0.35 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1w42 h LEU 70 Cb -0.12 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1w42 h LEU 70 CO -0.08 0.71 0.19 1.23 -0.34 0.00 0.00 178.44 180.15 1w42 h GLY 71 N 0.27 0.51 0.92 3.75 0.00 -1.02 -1.45 103.07 106.05 1w42 h GLY 71 Ca 0.07 -0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.29 1w42 h GLY 71 CO 0.02 0.10 0.39 -0.84 0.00 0.00 0.00 176.54 176.20 1w42 h THR 72 N 0.38 1.11 -1.00 4.70 2.02 -0.94 -0.01 112.91 119.17 1w42 h THR 72 Ca 0.16 -0.26 0.08 0.00 0.77 0.00 0.00 66.41 67.15 1w42 h THR 72 Cb 0.07 0.27 -0.07 0.00 -1.74 0.00 0.00 68.15 66.67 1w42 h THR 72 CO -0.11 0.14 0.64 -0.07 0.37 0.00 0.00 175.52 176.50 1w42 h LEU 73 N 0.77 1.01 -0.28 2.58 3.38 -0.72 -2.19 115.31 119.87 1w42 h LEU 73 Ca 0.24 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1w42 h LEU 73 Cb -0.02 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1w42 h LEU 73 CO -0.08 0.62 0.00 0.18 0.09 0.00 0.00 178.44 179.25 1w42 n LEU 74 N -4.53 0.42 -0.07 1.67 4.77 -0.58 -4.88 117.00 113.80 1w42 n LEU 74 Ca 0.16 -0.17 -0.01 0.00 -0.03 0.00 0.00 56.01 55.96 1w42 n LEU 74 Cb 0.23 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1w42 n LEU 74 CO 0.31 0.09 -0.01 0.61 -1.33 0.00 0.00 177.39 177.06 1w42 n GLY 75 N 0.87 0.46 3.69 -0.72 0.00 -0.82 -5.05 105.19 103.61 1w42 n GLY 75 Ca 0.14 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 1w42 n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w42 s ARG 76 N -2.03 2.79 0.00 1.61 1.81 -0.11 -5.00 118.95 118.02 1w42 s ARG 76 Ca 0.00 -0.62 0.12 0.00 -1.72 0.00 0.00 55.73 53.51 1w42 s ARG 76 Cb 0.00 -2.67 0.53 0.00 -0.45 0.00 0.00 34.95 32.35 1w42 s ARG 76 CO 0.00 0.62 1.37 -0.35 -0.68 0.00 0.00 175.30 176.26 1w42 n PRO 77 N 1.30 1.34 -4.49 3.54 -0.04 -1.26 -3.72 135.00 131.68 1w42 n PRO 77 Ca -0.14 -0.53 -0.23 0.00 -0.04 0.00 0.00 63.50 62.56 1w42 n PRO 77 Cb 0.53 -1.22 -0.11 0.00 -0.04 0.00 0.00 33.50 32.65 1w42 n PRO 77 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1w42 s HIS 78 N -1.85 2.08 0.54 0.54 -3.43 -1.26 -5.07 115.29 106.85 1w42 s HIS 78 Ca 0.20 -0.89 -0.19 0.00 -0.80 0.00 0.00 55.06 53.37 1w42 s HIS 78 Cb 0.10 -1.39 -0.06 0.00 -1.43 0.00 0.00 32.58 29.80 1w42 s HIS 78 CO 0.15 0.11 1.11 0.95 -2.00 0.00 0.00 174.74 175.06 1w42 s THR 79 N -3.17 3.30 -0.13 -5.38 -4.23 -1.26 -4.41 115.64 100.36 1w42 s THR 79 Ca 0.36 0.80 -0.01 0.00 -1.18 0.00 0.00 61.69 61.66 1w42 s THR 79 Cb 0.09 -3.32 0.04 0.00 1.34 0.00 0.00 72.50 70.65 1w42 s THR 79 CO 0.16 -0.19 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.34 1w42 s VAL 80 N -1.85 0.79 -0.12 2.29 1.01 -0.56 -4.86 120.40 117.10 1w42 s VAL 80 Ca 0.71 -0.35 0.17 0.00 0.00 0.00 0.00 61.98 62.52 1w42 s VAL 80 Cb -0.22 -0.99 -0.17 0.00 0.00 0.00 0.00 36.38 35.00 1w42 s VAL 80 CO 0.26 0.15 0.72 -1.20 0.00 0.00 0.00 175.10 175.03 1w42 n SER 81 N 4.99 0.73 -3.57 3.32 7.64 -1.26 -4.38 113.62 121.10 1w42 n SER 81 Ca -0.10 0.33 -0.15 0.00 1.01 0.00 0.00 58.87 59.96 1w42 n SER 81 Cb 0.49 0.32 -0.06 0.00 -1.01 0.00 0.00 64.21 63.95 1w42 n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1w42 s ALA 82 N -2.89 -1.39 0.10 -0.43 0.00 -1.26 -0.66 121.76 115.23 1w42 s ALA 82 Ca -0.04 0.73 -0.11 0.00 0.00 0.00 0.00 51.96 52.54 1w42 s ALA 82 Cb 0.09 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.51 1w42 s ALA 82 CO 0.82 -0.47 0.25 -0.48 0.00 0.00 0.00 175.76 175.88 1w42 s LEU 83 N -1.78 1.13 -0.09 0.00 0.05 -0.36 0.48 118.68 118.10 1w42 s LEU 83 Ca -0.07 -0.56 0.03 0.00 0.05 0.00 0.00 54.13 53.58 1w42 s LEU 83 Cb -0.01 1.27 0.01 0.00 -2.05 0.00 0.00 46.19 45.40 1w42 s LEU 83 CO 0.01 -0.77 -0.20 0.00 -0.55 0.00 0.00 176.35 174.84 1w42 s ALA 84 N -3.85 1.91 -0.49 1.48 0.00 0.32 -1.31 121.76 119.82 1w42 s ALA 84 Ca 0.05 -0.82 -0.24 0.00 0.00 0.00 0.00 51.96 50.95 1w42 s ALA 84 Cb 0.04 -0.76 0.03 0.00 0.00 0.00 0.00 23.12 22.43 1w42 s ALA 84 CO -0.11 0.19 0.86 0.08 0.00 0.00 0.00 175.76 176.78 1w42 s VAL 85 N 0.51 4.53 -0.05 0.00 1.01 0.23 -1.03 120.40 125.61 1w42 s VAL 85 Ca -0.16 0.40 -0.07 0.00 0.00 0.00 0.00 61.98 62.15 1w42 s VAL 85 Cb -0.17 -4.42 -0.29 0.00 0.00 0.00 0.00 36.38 31.50 1w42 s VAL 85 CO 0.06 -0.88 0.67 0.58 0.00 0.00 0.00 175.10 175.53 1w42 h VAL 86 N 6.01 0.94 -3.07 2.92 2.07 -1.31 0.32 116.25 124.13 1w42 h VAL 86 Ca -0.25 -2.57 -0.33 0.00 0.82 0.00 0.00 66.70 64.38 1w42 h VAL 86 Cb 1.08 2.70 -0.37 0.00 -1.52 0.00 0.00 31.29 33.19 1w42 h VAL 86 CO 1.02 0.84 -0.66 -0.62 0.02 0.00 0.00 177.57 178.16 1w42 s ASP 87 N -7.11 1.03 0.00 0.57 2.15 -0.62 -4.52 116.67 108.16 1w42 s ASP 87 Ca -0.15 0.15 0.18 0.00 0.43 0.00 0.00 52.55 53.16 1w42 s ASP 87 Cb 0.06 0.16 0.79 0.00 -0.30 0.00 0.00 42.92 43.64 1w42 s ASP 87 CO 0.84 -0.26 1.58 -0.81 -0.17 0.00 0.00 175.17 176.34 1w42 n PRO 88 N 5.32 0.04 0.00 4.34 -0.04 -1.26 -0.65 135.00 142.74 1w42 n PRO 88 Ca -0.05 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1w42 n PRO 88 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1w42 n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1w42 n GLY 89 N 0.35 3.07 0.74 0.55 0.00 -1.26 -1.56 105.19 107.07 1w42 n GLY 89 Ca 0.05 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 45.98 1w42 n GLY 89 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1w42 n GLU 90 N 13.69 1.98 -2.26 1.61 1.02 -1.26 -4.90 120.64 130.52 1w42 n GLU 90 Ca 0.00 -1.46 -0.28 0.00 -0.02 0.00 0.00 57.16 55.40 1w42 n GLU 90 Cb 0.00 -1.45 0.03 0.00 -0.02 0.00 0.00 31.44 30.00 1w42 n GLU 90 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1w42 s SER 91 N -1.70 5.68 -0.24 1.62 1.04 -0.60 -5.00 113.70 114.50 1w42 s SER 91 Ca 0.34 0.89 0.14 0.00 0.48 0.00 0.00 55.95 57.81 1w42 s SER 91 Cb 0.20 -1.88 0.78 0.00 0.10 0.00 0.00 66.02 65.21 1w42 s SER 91 CO 0.29 -1.06 1.72 0.00 0.98 0.00 0.00 173.24 175.17 1w42 n ALA 92 N -2.67 3.87 0.20 5.32 0.00 -1.26 -4.69 120.51 121.29 1w42 n ALA 92 Ca 0.05 -2.04 0.14 0.00 0.00 0.00 0.00 53.44 51.58 1w42 n ALA 92 Cb 0.57 -1.08 0.75 0.00 0.00 0.00 0.00 19.45 19.68 1w42 n ALA 92 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1w42 h ILE 93 N 3.54 0.74 0.00 0.00 6.09 -1.89 -2.25 117.51 123.73 1w42 h ILE 93 Ca 0.03 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.52 1w42 h ILE 93 Cb 1.96 0.91 0.00 0.00 0.47 0.00 0.00 36.82 40.16 1w42 h ILE 93 CO 0.49 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 175.75 1w42 n LEU 94 N -4.21 0.67 0.21 2.19 4.77 -1.26 -2.47 117.00 116.91 1w42 n LEU 94 Ca 0.01 0.62 0.18 0.00 -0.03 0.00 0.00 56.01 56.78 1w42 n LEU 94 Cb 0.24 -0.47 0.84 0.00 -2.33 0.00 0.00 43.42 41.70 1w42 n LEU 94 CO 0.32 -0.38 1.15 0.00 -1.33 0.00 0.00 177.39 177.14 1w42 h ALA 95 N 2.40 1.77 0.00 -1.18 0.00 -1.79 -1.43 119.26 119.03 1w42 h ALA 95 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1w42 h ALA 95 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1w42 h ALA 95 CO 0.00 -0.31 0.00 -0.07 0.00 0.00 0.00 179.25 178.87 1w42 h LEU 96 N 0.00 0.00 0.00 0.00 3.38 -1.70 -2.47 115.31 114.51 1w42 h LEU 96 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1w42 h LEU 96 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1w42 h LEU 96 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1w42 n GLY 97 N -0.57 -1.12 1.95 0.83 0.00 -0.54 -4.86 105.19 100.87 1w42 n GLY 97 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1w42 n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w42 n GLY 98 N 0.39 0.78 0.00 -0.02 0.00 -0.93 -4.91 105.19 100.49 1w42 n GLY 98 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1w42 n GLY 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49