#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w40 s VAL 1 N 0.00 4.05 -0.64 1.12 1.01 -1.26 -4.98 120.40 119.69 1w40 s VAL 1 Ca 0.00 1.40 -0.23 0.00 0.00 0.00 0.00 61.98 63.15 1w40 s VAL 1 Cb 0.00 -3.90 0.07 0.00 0.00 0.00 0.00 36.38 32.55 1w40 s VAL 1 CO 0.00 -0.00 0.96 -0.62 0.00 0.00 0.00 175.10 175.43 1w40 s ASP 2 N 1.64 6.19 0.10 3.32 3.68 -1.26 -4.96 116.67 125.39 1w40 s ASP 2 Ca 0.59 -0.90 -0.34 0.00 2.13 0.00 0.00 52.55 54.03 1w40 s ASP 2 Cb -0.27 -2.42 -0.14 0.00 -1.45 0.00 0.00 42.92 38.64 1w40 s ASP 2 CO 0.23 -1.41 1.57 0.15 0.13 0.00 0.00 175.17 175.85 1w40 h PHE 3 N 9.53 -1.35 -0.59 -5.34 3.57 -1.98 0.17 116.94 120.96 1w40 h PHE 3 Ca -0.28 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.35 1w40 h PHE 3 Cb 1.07 0.56 -0.08 0.00 2.79 0.00 0.00 35.95 40.29 1w40 h PHE 3 CO 0.96 -0.59 0.14 0.00 -2.23 0.00 0.00 178.31 176.60 1w40 h ALA 4 N -0.48 0.70 -0.13 2.41 0.00 -2.00 0.08 119.26 119.84 1w40 h ALA 4 Ca -0.01 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1w40 h ALA 4 Cb 0.76 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1w40 h ALA 4 CO -0.20 -0.28 -0.13 0.35 0.00 0.00 0.00 179.25 178.99 1w40 h PHE 5 N 0.28 0.39 0.00 0.00 3.57 -1.94 -2.98 116.94 116.26 1w40 h PHE 5 Ca 0.30 -0.11 -0.10 0.00 3.53 0.00 0.00 57.97 61.59 1w40 h PHE 5 Cb 0.43 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1w40 h PHE 5 CO -0.23 0.71 -0.46 0.93 -2.23 0.00 0.00 178.31 177.03 1w40 h GLU 6 N -0.05 0.00 -0.03 1.11 4.39 -0.69 -0.49 114.58 118.81 1w40 h GLU 6 Ca 0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1w40 h GLU 6 Cb 0.65 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1w40 h GLU 6 CO 0.03 0.46 -0.00 1.25 -1.16 0.00 0.00 179.01 179.59 1w40 h LEU 7 N 0.00 0.05 -0.72 1.33 5.85 -1.04 -1.76 115.31 119.02 1w40 h LEU 7 Ca -0.00 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.39 1w40 h LEU 7 Cb 0.95 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 1w40 h LEU 7 CO 0.06 0.38 0.47 -0.09 -0.34 0.00 0.00 178.44 178.92 1w40 h ARG 8 N -0.27 0.93 -0.34 1.25 2.43 -1.41 -0.93 114.38 116.05 1w40 h ARG 8 Ca 0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1w40 h ARG 8 Cb 0.35 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1w40 h ARG 8 CO 0.00 0.62 0.21 0.00 -1.51 0.00 0.00 179.97 179.29 1w40 h ALA 9 N 1.27 1.74 -0.22 2.80 0.00 -1.00 0.14 119.26 123.98 1w40 h ALA 9 Ca 0.27 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.94 1w40 h ALA 9 Cb -0.09 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.57 1w40 h ALA 9 CO -0.06 0.24 -0.67 0.00 0.00 0.00 0.00 179.25 178.75 1w40 h ALA 10 N 1.77 0.38 -0.78 0.00 0.00 -0.78 -1.22 119.26 118.63 1w40 h ALA 10 Ca 0.12 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1w40 h ALA 10 Cb -0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1w40 h ALA 10 CO -0.02 0.68 0.46 0.37 0.00 0.00 0.00 179.25 180.74 1w40 h GLN 11 N 0.61 1.08 0.04 0.00 4.15 -0.36 -1.20 115.11 119.43 1w40 h GLN 11 Ca -0.02 -0.11 -0.29 0.00 0.77 0.00 0.00 58.65 59.00 1w40 h GLN 11 Cb 1.29 -0.22 -0.04 0.00 0.21 0.00 0.00 27.48 28.72 1w40 h GLN 11 CO 0.14 0.77 -1.60 -0.44 -1.93 0.00 0.00 178.83 175.77 1w40 h ASP 12 N 1.08 0.12 0.00 -0.69 3.32 -0.96 -3.40 116.42 115.89 1w40 h ASP 12 Ca 0.28 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1w40 h ASP 12 Cb -0.02 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1w40 h ASP 12 CO -0.05 1.19 -0.51 0.35 -1.72 0.00 0.00 179.24 178.49 1w40 n THR 13 N -3.22 0.00 -0.47 0.35 -2.24 -0.47 -5.05 114.28 103.18 1w40 n THR 13 Ca -0.16 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1w40 n THR 13 Cb 1.03 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 70.10 1w40 n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w40 n GLY 14 N 1.39 5.09 2.78 3.38 0.00 -0.45 -4.34 105.19 113.04 1w40 n GLY 14 Ca 0.01 -1.65 -0.18 0.00 0.00 0.00 0.00 46.02 44.19 1w40 n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1w40 s LYS 15 N 4.30 0.28 0.10 1.61 2.47 0.18 -4.86 119.74 123.81 1w40 s LYS 15 Ca 0.00 0.14 0.07 0.00 -1.56 0.00 0.00 55.97 54.61 1w40 s LYS 15 Cb 0.00 -0.56 -0.03 0.00 -1.46 0.00 0.00 37.83 35.78 1w40 s LYS 15 CO 0.00 -0.20 -0.17 0.96 0.16 0.00 0.00 175.35 176.10 1w40 s ILE 16 N 1.37 1.43 -0.02 5.43 -4.36 -1.26 -0.43 121.20 123.36 1w40 s ILE 16 Ca -0.05 -1.50 0.07 0.00 -0.26 0.00 0.00 60.65 58.91 1w40 s ILE 16 Cb -0.13 -1.38 -0.02 0.00 1.25 0.00 0.00 42.46 42.18 1w40 s ILE 16 CO -0.03 -0.19 -0.23 0.68 0.24 0.00 0.00 174.94 175.42 1w40 s VAL 17 N -1.40 2.36 0.05 8.37 -7.23 -0.67 -4.95 120.40 116.93 1w40 s VAL 17 Ca 0.04 -1.02 0.05 0.00 -1.81 0.00 0.00 61.98 59.24 1w40 s VAL 17 Cb -0.09 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 1w40 s VAL 17 CO 0.03 0.56 -0.09 -0.04 -0.31 0.00 0.00 175.10 175.25 1w40 s MET 18 N -0.71 2.33 0.00 4.82 -1.94 -1.26 -1.07 119.30 121.47 1w40 s MET 18 Ca 0.11 -0.87 0.00 0.00 -1.71 0.00 0.00 55.69 53.22 1w40 s MET 18 Cb -0.10 -2.39 0.00 0.00 2.01 0.00 0.00 34.83 34.35 1w40 s MET 18 CO -0.00 0.56 0.00 0.41 -0.01 0.00 0.00 175.02 175.98 1w40 n GLY 19 N 1.23 1.63 0.30 -0.03 0.00 0.12 -4.55 105.19 103.88 1w40 n GLY 19 Ca -0.15 -1.78 -0.05 0.00 0.00 0.00 0.00 46.02 44.05 1w40 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w40 h ALA 20 N 0.00 0.97 0.41 4.61 0.00 -1.93 -1.98 119.26 121.34 1w40 h ALA 20 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1w40 h ALA 20 Cb 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1w40 h ALA 20 CO 0.00 0.43 -0.28 -0.09 0.00 0.00 0.00 179.25 179.31 1w40 h ARG 21 N 1.04 -0.65 -0.63 0.00 2.43 -1.95 0.33 114.38 114.94 1w40 h ARG 21 Ca 0.27 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 1w40 h ARG 21 Cb -0.05 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 1w40 h ARG 21 CO -0.05 -0.43 0.35 0.87 -1.51 0.00 0.00 179.97 179.20 1w40 h LYS 22 N -0.68 0.88 -0.26 0.20 1.57 -1.80 -1.84 116.57 114.65 1w40 h LYS 22 Ca -0.04 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1w40 h LYS 22 Cb 0.57 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1w40 h LYS 22 CO 0.02 0.66 0.07 0.77 -0.57 0.00 0.00 179.45 180.40 1w40 h SER 23 N 0.86 0.05 -0.27 0.86 0.02 -1.06 -0.17 113.55 113.83 1w40 h SER 23 Ca 0.22 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 1w40 h SER 23 Cb 0.03 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1w40 h SER 23 CO -0.04 0.06 0.11 0.40 -1.14 0.00 0.00 176.83 176.22 1w40 h ILE 24 N 0.17 1.18 -0.64 3.27 2.04 -0.87 -0.99 117.51 121.67 1w40 h ILE 24 Ca 0.12 -0.55 0.07 0.00 1.00 0.00 0.00 64.86 65.50 1w40 h ILE 24 Cb 0.10 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 1w40 h ILE 24 CO -0.14 0.18 0.32 -0.61 0.00 0.00 0.00 178.15 177.91 1w40 h GLN 25 N 0.29 0.57 -0.05 2.37 4.15 -1.07 0.23 115.11 121.60 1w40 h GLN 25 Ca 0.09 -0.03 -0.16 0.00 0.77 0.00 0.00 58.65 59.32 1w40 h GLN 25 Cb 0.19 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 1w40 h GLN 25 CO -0.01 0.38 -0.68 1.88 -1.93 0.00 0.00 178.83 178.47 1w40 h TYR 26 N 0.58 0.30 -0.09 3.99 0.05 -0.92 -2.25 116.97 118.64 1w40 h TYR 26 Ca 0.30 -0.13 -0.00 0.00 0.05 0.00 0.00 58.73 58.95 1w40 h TYR 26 Cb 0.26 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 37.95 1w40 h TYR 26 CO -0.11 0.84 0.05 0.00 -1.05 0.00 0.00 178.16 177.89 1w40 h ALA 27 N 1.13 0.11 -0.48 3.88 0.00 -0.71 0.26 119.26 123.44 1w40 h ALA 27 Ca -0.02 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1w40 h ALA 27 Cb 1.22 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1w40 h ALA 27 CO 0.11 -0.38 0.15 0.87 0.00 0.00 0.00 179.25 180.00 1w40 h LYS 28 N 0.08 0.30 -0.01 0.00 1.57 -0.40 -2.52 116.57 115.60 1w40 h LYS 28 Ca 0.03 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1w40 h LYS 28 Cb 0.03 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1w40 h LYS 28 CO -0.01 0.20 -0.03 0.00 -0.57 0.00 0.00 179.45 179.05 1w40 n MET 29 N -5.04 1.30 -2.52 3.15 0.00 -0.86 -4.91 117.12 108.24 1w40 n MET 29 Ca 0.05 -0.56 -0.13 0.00 0.00 0.00 0.00 57.70 57.06 1w40 n MET 29 Cb 0.21 -1.49 0.01 0.00 0.00 0.00 0.00 33.22 31.95 1w40 n MET 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1w40 n GLY 30 N 1.14 -0.09 0.97 3.17 0.00 -0.80 -4.94 105.19 104.65 1w40 n GLY 30 Ca 0.20 -0.29 0.08 0.00 0.00 0.00 0.00 46.02 46.01 1w40 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w40 n GLY 31 N -1.13 2.73 3.43 -0.02 0.00 0.84 -4.96 105.19 106.08 1w40 n GLY 31 Ca -0.10 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.08 1w40 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w40 s ALA 32 N -1.14 2.57 -0.07 4.61 0.00 -1.23 -4.69 121.76 121.82 1w40 s ALA 32 Ca 0.35 -1.71 0.21 0.00 0.00 0.00 0.00 51.96 50.81 1w40 s ALA 32 Cb 0.19 -0.30 -0.30 0.00 0.00 0.00 0.00 23.12 22.71 1w40 s ALA 32 CO 0.22 0.37 0.45 1.63 0.00 0.00 0.00 175.76 178.44 1w40 n LYS 33 N -0.01 0.66 -3.63 0.00 4.76 0.12 -4.90 118.16 115.16 1w40 n LYS 33 Ca -0.10 -0.14 -0.14 0.00 -2.87 0.00 0.00 58.31 55.06 1w40 n LYS 33 Cb 0.57 -1.54 -0.07 0.00 -1.84 0.00 0.00 35.03 32.15 1w40 n LYS 33 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1w40 s LEU 34 N -4.75 -0.72 -0.13 -0.35 2.96 -1.15 -4.32 118.68 110.22 1w40 s LEU 34 Ca -0.08 1.37 -0.01 0.00 -0.22 0.00 0.00 54.13 55.19 1w40 s LEU 34 Cb 0.12 2.41 -0.02 0.00 0.50 0.00 0.00 46.19 49.21 1w40 s LEU 34 CO 0.89 -0.25 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.92 1w40 s ILE 35 N 0.31 3.12 -0.18 6.68 1.01 -0.80 0.07 121.20 131.42 1w40 s ILE 35 Ca -0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 60.65 59.96 1w40 s ILE 35 Cb -0.05 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 1w40 s ILE 35 CO 0.01 0.52 0.00 -0.63 0.00 0.00 0.00 174.94 174.84 1w40 s ILE 36 N 0.38 4.19 -0.08 2.92 -1.09 0.30 -0.91 121.20 126.92 1w40 s ILE 36 Ca -0.10 -0.25 0.04 0.00 -2.23 0.00 0.00 60.65 58.12 1w40 s ILE 36 Cb -0.16 -2.87 -0.00 0.00 -1.58 0.00 0.00 42.46 37.85 1w40 s ILE 36 CO 0.05 0.46 -0.22 0.68 -1.23 0.00 0.00 174.94 174.69 1w40 s VAL 37 N 0.53 1.86 0.45 2.92 -7.23 -0.39 -0.88 120.40 117.66 1w40 s VAL 37 Ca -0.01 -0.93 -0.24 0.00 -1.81 0.00 0.00 61.98 59.00 1w40 s VAL 37 Cb -0.14 -1.60 -0.07 0.00 0.56 0.00 0.00 36.38 35.12 1w40 s VAL 37 CO 0.02 0.52 1.24 0.00 -0.31 0.00 0.00 175.10 176.57 1w40 s ALA 38 N 0.18 3.05 0.46 1.32 0.00 0.32 0.39 121.76 127.48 1w40 s ALA 38 Ca -0.12 1.10 0.19 0.00 0.00 0.00 0.00 51.96 53.13 1w40 s ALA 38 Cb -0.16 -3.45 1.17 0.00 0.00 0.00 0.00 23.12 20.69 1w40 s ALA 38 CO 0.06 -0.83 1.95 -0.09 0.00 0.00 0.00 175.76 176.85 1w40 h ARG 39 N 2.19 0.26 -0.62 0.00 2.43 -1.03 -1.20 114.38 116.43 1w40 h ARG 39 Ca -0.50 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1w40 h ARG 39 Cb 1.26 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1w40 h ARG 39 CO 0.61 0.17 0.00 0.27 -1.51 0.00 0.00 179.97 179.51 1w40 n ASN 40 N -4.44 4.43 -4.59 -3.80 6.94 -1.26 -4.98 115.26 107.56 1w40 n ASN 40 Ca 0.13 -2.37 -0.44 0.00 -0.02 0.00 0.00 54.58 51.88 1w40 n ASN 40 Cb 0.56 -0.53 -0.01 0.00 -2.36 0.00 0.00 39.78 37.44 1w40 n ASN 40 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1w40 n ALA 41 N 1.07 -0.18 -1.68 -2.53 0.00 -0.45 -4.85 120.51 111.89 1w40 n ALA 41 Ca 0.24 0.35 -0.45 0.00 0.00 0.00 0.00 53.44 53.58 1w40 n ALA 41 Cb 0.81 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 1w40 n ALA 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1w40 n ARG 42 N 0.61 2.18 -0.33 0.00 0.63 -1.26 -4.71 116.66 113.78 1w40 n ARG 42 Ca 0.09 0.78 0.22 0.00 -0.92 0.00 0.00 57.85 58.02 1w40 n ARG 42 Cb 0.34 -2.52 0.44 0.00 0.45 0.00 0.00 32.46 31.17 1w40 n ARG 42 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1w40 h PRO 43 N 5.34 0.31 0.00 -0.14 0.11 -1.98 0.11 132.00 135.74 1w40 h PRO 43 Ca -0.45 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 1w40 h PRO 43 Cb 1.26 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1w40 h PRO 43 CO 0.84 0.20 -0.41 0.38 -0.21 0.00 0.00 178.00 178.80 1w40 h ASP 44 N 0.31 0.00 -0.02 -2.05 2.03 -1.99 -1.90 116.42 112.81 1w40 h ASP 44 Ca 0.70 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.99 1w40 h ASP 44 Cb 1.57 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.07 1w40 h ASP 44 CO -0.61 0.41 -0.05 0.40 -1.03 0.00 0.00 179.24 178.37 1w40 h ILE 45 N 0.00 1.45 -0.51 4.15 2.04 -1.16 -0.95 117.51 122.53 1w40 h ILE 45 Ca -0.00 -1.41 0.10 0.00 1.00 0.00 0.00 64.86 64.55 1w40 h ILE 45 Cb 1.17 2.35 -0.10 0.00 -0.74 0.00 0.00 36.82 39.50 1w40 h ILE 45 CO 0.05 0.38 -0.15 0.11 0.00 0.00 0.00 178.15 178.54 1w40 h LYS 46 N -0.49 -0.03 -0.36 2.37 1.57 -1.38 -1.07 116.57 117.18 1w40 h LYS 46 Ca -0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1w40 h LYS 46 Cb 0.64 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1w40 h LYS 46 CO 0.01 -0.02 -0.30 0.93 -0.57 0.00 0.00 179.45 179.50 1w40 h GLU 47 N -0.03 0.77 -0.27 3.15 5.08 -1.34 -0.83 114.58 121.10 1w40 h GLU 47 Ca 0.24 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1w40 h GLU 47 Cb 0.41 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1w40 h GLU 47 CO -0.54 0.97 0.18 -0.44 -1.00 0.00 0.00 179.01 178.18 1w40 h ASP 48 N 0.65 0.31 -0.02 1.42 5.19 -0.98 -1.67 116.42 121.32 1w40 h ASP 48 Ca 0.08 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1w40 h ASP 48 Cb 0.83 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.26 1w40 h ASP 48 CO 0.07 0.23 0.01 0.40 -3.12 0.00 0.00 179.24 176.83 1w40 h ILE 49 N 0.37 1.08 -0.87 0.35 2.04 -0.99 -1.89 117.51 117.60 1w40 h ILE 49 Ca 0.10 -0.25 0.06 0.00 1.00 0.00 0.00 64.86 65.77 1w40 h ILE 49 Cb -0.04 1.22 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 1w40 h ILE 49 CO -0.02 0.07 0.54 -0.33 0.00 0.00 0.00 178.15 178.41 1w40 h GLU 50 N -0.07 0.97 0.82 2.37 5.08 -1.15 -0.54 114.58 122.07 1w40 h GLU 50 Ca 0.01 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1w40 h GLU 50 Cb 0.10 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.14 1w40 h GLU 50 CO -0.00 0.64 -0.39 -0.92 -1.00 0.00 0.00 179.01 177.34 1w40 h TYR 51 N 1.00 -1.02 -0.51 4.33 3.20 -1.11 -1.91 116.97 120.96 1w40 h TYR 51 Ca 0.37 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 1w40 h TYR 51 Cb 0.15 0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 1w40 h TYR 51 CO -0.03 -0.62 0.27 1.88 -1.64 0.00 0.00 178.16 178.02 1w40 h TYR 52 N -1.23 0.68 -0.44 -3.82 0.05 -1.22 -1.47 116.97 109.53 1w40 h TYR 52 Ca -0.11 -0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.55 1w40 h TYR 52 Cb 0.85 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.36 1w40 h TYR 52 CO -0.00 0.49 -0.16 0.00 -1.05 0.00 0.00 178.16 177.44 1w40 h ALA 53 N 1.59 0.61 -0.49 3.88 0.00 -1.13 -2.96 119.26 120.76 1w40 h ALA 53 Ca 0.18 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1w40 h ALA 53 Cb 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1w40 h ALA 53 CO -0.03 0.55 0.11 -0.09 0.00 0.00 0.00 179.25 179.79 1w40 h ARG 54 N 0.71 0.74 -0.62 0.00 2.43 -0.71 0.12 114.38 117.05 1w40 h ARG 54 Ca 0.10 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1w40 h ARG 54 Cb 0.72 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 1w40 h ARG 54 CO 0.05 0.68 0.41 -0.07 -1.51 0.00 0.00 179.97 179.53 1w40 h LEU 55 N 0.72 0.65 0.00 3.80 3.38 -1.15 -3.20 115.31 119.50 1w40 h LEU 55 Ca 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1w40 h LEU 55 Cb 0.28 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1w40 h LEU 55 CO -0.00 0.46 -1.10 -1.20 0.09 0.00 0.00 178.44 176.68 1w40 n SER 56 N -4.46 0.82 -0.37 -0.43 7.64 -0.94 -4.99 113.62 110.89 1w40 n SER 56 Ca 0.07 -0.76 -0.02 0.00 1.01 0.00 0.00 58.87 59.17 1w40 n SER 56 Cb 0.10 1.18 0.00 0.00 -1.01 0.00 0.00 64.21 64.49 1w40 n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1w40 n GLY 57 N 1.44 0.44 3.65 0.23 0.00 0.19 -5.04 105.19 106.08 1w40 n GLY 57 Ca 0.02 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 1w40 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1w40 s ILE 58 N -2.35 5.27 0.37 -0.61 1.01 0.12 -5.02 121.20 119.99 1w40 s ILE 58 Ca 0.01 0.42 -0.27 0.00 0.00 0.00 0.00 60.65 60.81 1w40 s ILE 58 Cb -0.01 -3.61 -0.10 0.00 0.01 0.00 0.00 42.46 38.75 1w40 s ILE 58 CO 0.02 0.27 1.35 -2.16 0.00 0.00 0.00 174.94 174.42 1w40 s PRO 59 N 1.38 4.14 -0.10 2.79 0.04 -1.26 -4.38 135.00 137.60 1w40 s PRO 59 Ca 0.13 2.27 -0.01 0.00 0.04 0.00 0.00 61.00 63.43 1w40 s PRO 59 Cb -0.15 -2.92 -0.03 0.00 0.04 0.00 0.00 34.50 31.45 1w40 s PRO 59 CO 0.07 -0.39 -0.07 0.08 0.04 0.00 0.00 177.00 176.73 1w40 s VAL 60 N -1.18 3.65 -0.10 -0.36 1.01 -1.26 -1.91 120.40 120.25 1w40 s VAL 60 Ca 0.53 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.07 1w40 s VAL 60 Cb -0.41 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1w40 s VAL 60 CO 0.54 0.55 -0.23 -0.47 0.00 0.00 0.00 175.10 175.50 1w40 s TYR 61 N -0.26 2.44 -0.25 5.22 6.14 -0.09 -4.97 117.35 125.58 1w40 s TYR 61 Ca 0.04 -1.02 -0.19 0.00 0.64 0.00 0.00 57.07 56.54 1w40 s TYR 61 Cb -0.13 -1.65 -0.03 0.00 0.42 0.00 0.00 41.96 40.58 1w40 s TYR 61 CO 0.03 -0.42 0.56 -2.00 0.64 0.00 0.00 175.55 174.35 1w40 s GLU 62 N 0.42 4.11 0.06 4.97 2.12 -1.26 -1.26 118.70 127.85 1w40 s GLU 62 Ca -0.18 0.42 -0.30 0.00 0.36 0.00 0.00 54.97 55.27 1w40 s GLU 62 Cb -0.18 -3.63 -0.05 0.00 0.26 0.00 0.00 34.13 30.53 1w40 s GLU 62 CO 0.08 -0.33 1.13 0.12 -0.54 0.00 0.00 175.26 175.71 1w40 s PHE 63 N 2.25 3.51 -1.56 5.30 5.99 0.16 -4.92 117.98 128.72 1w40 s PHE 63 Ca 0.23 1.43 -0.09 0.00 0.00 0.00 0.00 56.93 58.51 1w40 s PHE 63 Cb -0.16 -3.33 -0.07 0.00 0.00 0.00 0.00 43.02 39.46 1w40 s PHE 63 CO 0.09 -0.89 2.92 -0.85 -0.00 0.00 0.00 175.22 176.49 1w40 n GLU 64 N 3.72 3.76 -3.61 10.12 0.00 -1.26 -2.37 120.64 131.00 1w40 n GLU 64 Ca 0.07 -2.31 0.01 0.00 0.00 0.00 0.00 57.16 54.94 1w40 n GLU 64 Cb 0.47 -2.76 -0.01 0.00 0.00 0.00 0.00 31.44 29.15 1w40 n GLU 64 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1w40 s GLY 65 N 1.97 -0.41 0.75 -1.84 0.00 -1.26 -5.04 107.32 101.49 1w40 s GLY 65 Ca 0.68 0.88 -0.11 0.00 0.00 0.00 0.00 44.72 46.17 1w40 s GLY 65 CO -0.06 0.19 1.12 -0.51 0.00 0.00 0.00 173.10 173.84 1w40 s THR 66 N -2.36 2.77 0.54 0.90 -4.23 -1.26 -2.05 115.64 109.94 1w40 s THR 66 Ca 0.14 0.20 0.21 0.00 -1.18 0.00 0.00 61.69 61.06 1w40 s THR 66 Cb 0.04 -3.24 0.32 0.00 1.34 0.00 0.00 72.50 70.97 1w40 s THR 66 CO -0.04 -0.31 2.12 0.77 -0.54 0.00 0.00 174.62 176.62 1w40 h SER 67 N -0.80 0.00 0.45 3.99 4.64 -1.92 -1.57 113.55 118.33 1w40 h SER 67 Ca -0.45 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 1w40 h SER 67 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1w40 h SER 67 CO 0.64 0.00 -0.22 0.58 -0.87 0.00 0.00 176.83 176.97 1w40 h VAL 68 N 0.00 0.55 -0.73 0.95 2.07 -1.89 -0.96 116.25 116.24 1w40 h VAL 68 Ca 0.07 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1w40 h VAL 68 Cb 0.31 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1w40 h VAL 68 CO -0.00 0.04 0.49 -0.08 0.02 0.00 0.00 177.57 178.03 1w40 h GLU 69 N -0.73 0.95 -0.31 1.57 4.81 -1.80 -1.72 114.58 117.36 1w40 h GLU 69 Ca -0.06 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 1w40 h GLU 69 Cb 0.52 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1w40 h GLU 69 CO 0.10 0.63 -0.01 1.25 -0.73 0.00 0.00 179.01 180.25 1w40 h LEU 70 N 0.98 0.54 -0.30 1.64 5.85 -1.30 -0.83 115.31 121.90 1w40 h LEU 70 Ca 0.27 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.73 1w40 h LEU 70 Cb -0.09 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 1w40 h LEU 70 CO -0.06 0.73 -0.03 1.23 -0.34 0.00 0.00 178.44 179.97 1w40 h GLY 71 N 0.35 0.26 0.80 3.75 0.00 -1.13 -1.59 103.07 105.51 1w40 h GLY 71 Ca 0.09 0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.53 1w40 h GLY 71 CO 0.02 -0.09 0.58 -0.84 0.00 0.00 0.00 176.54 176.21 1w40 h THR 72 N 0.05 1.10 -0.73 4.70 2.02 -1.16 0.10 112.91 119.01 1w40 h THR 72 Ca 0.14 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1w40 h THR 72 Cb 0.21 -0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.50 1w40 h THR 72 CO -0.27 0.20 0.38 -0.07 0.37 0.00 0.00 175.52 176.13 1w40 h LEU 73 N 1.08 0.91 -0.40 2.58 4.07 -0.82 -2.01 115.31 120.72 1w40 h LEU 73 Ca 0.38 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.25 1w40 h LEU 73 Cb 0.09 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.60 1w40 h LEU 73 CO -0.15 0.75 0.00 0.18 -1.08 0.00 0.00 178.44 178.14 1w40 n LEU 74 N -4.35 0.62 -0.19 1.67 4.77 -0.63 -4.80 117.00 114.09 1w40 n LEU 74 Ca 0.07 -0.22 -0.03 0.00 -0.03 0.00 0.00 56.01 55.81 1w40 n LEU 74 Cb 0.11 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1w40 n LEU 74 CO 0.38 0.11 -0.02 0.61 -1.33 0.00 0.00 177.39 177.14 1w40 n GLY 75 N 1.03 0.58 3.82 -0.72 0.00 -0.36 -5.03 105.19 104.51 1w40 n GLY 75 Ca 0.20 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 1w40 n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w40 s ARG 76 N -2.01 3.45 -0.03 1.61 1.81 0.22 -4.98 118.95 119.02 1w40 s ARG 76 Ca 0.00 -0.20 0.02 0.00 -1.72 0.00 0.00 55.73 53.83 1w40 s ARG 76 Cb 0.00 -3.14 0.09 0.00 -0.45 0.00 0.00 34.95 31.45 1w40 s ARG 76 CO 0.00 0.70 0.65 -0.35 -0.68 0.00 0.00 175.30 175.62 1w40 n PRO 77 N 2.21 1.43 -4.26 3.54 -0.04 -1.26 -3.56 135.00 133.06 1w40 n PRO 77 Ca -0.19 -0.35 -0.14 0.00 -0.04 0.00 0.00 63.50 62.77 1w40 n PRO 77 Cb 0.54 -1.57 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 1w40 n PRO 77 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1w40 s HIS 78 N -1.21 1.30 0.49 0.54 3.76 -1.26 -5.08 115.29 113.84 1w40 s HIS 78 Ca 0.06 -1.10 -0.22 0.00 -0.15 0.00 0.00 55.06 53.65 1w40 s HIS 78 Cb 0.05 -0.75 -0.06 0.00 1.11 0.00 0.00 32.58 32.93 1w40 s HIS 78 CO 0.02 -0.28 1.23 0.95 -0.85 0.00 0.00 174.74 175.81 1w40 s THR 79 N -3.73 2.74 -0.16 1.30 -4.23 -1.26 -4.31 115.64 105.99 1w40 s THR 79 Ca 0.29 0.56 -0.00 0.00 -1.18 0.00 0.00 61.69 61.35 1w40 s THR 79 Cb 0.07 -3.28 0.04 0.00 1.34 0.00 0.00 72.50 70.67 1w40 s THR 79 CO 0.07 -0.01 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.40 1w40 s VAL 80 N -1.47 1.12 -0.11 2.29 1.01 -0.44 -4.86 120.40 117.94 1w40 s VAL 80 Ca 0.67 -0.60 0.16 0.00 0.00 0.00 0.00 61.98 62.20 1w40 s VAL 80 Cb -0.33 -1.27 -0.11 0.00 0.00 0.00 0.00 36.38 34.67 1w40 s VAL 80 CO 0.39 0.16 0.95 0.28 0.00 0.00 0.00 175.10 176.88 1w40 h SER 81 N 8.12 0.00 -5.01 3.32 0.02 -1.95 -3.40 113.55 114.65 1w40 h SER 81 Ca -0.25 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.66 1w40 h SER 81 Cb 1.11 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.52 1w40 h SER 81 CO 0.41 0.62 0.15 0.00 -1.14 0.00 0.00 176.83 176.86 1w40 s ALA 82 N -2.90 -1.49 0.15 3.77 0.00 -1.26 -0.52 121.76 119.51 1w40 s ALA 82 Ca -0.02 0.52 -0.15 0.00 0.00 0.00 0.00 51.96 52.32 1w40 s ALA 82 Cb 0.08 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.92 1w40 s ALA 82 CO 0.80 -0.67 0.40 -0.48 0.00 0.00 0.00 175.76 175.81 1w40 s LEU 83 N -2.48 0.47 -0.06 0.00 2.34 -0.06 0.11 118.68 119.00 1w40 s LEU 83 Ca -0.01 -0.47 0.04 0.00 0.06 0.00 0.00 54.13 53.75 1w40 s LEU 83 Cb -0.00 1.77 0.00 0.00 -0.56 0.00 0.00 46.19 47.39 1w40 s LEU 83 CO -0.09 -0.90 -0.17 0.00 -1.06 0.00 0.00 176.35 174.13 1w40 s ALA 84 N -3.85 1.57 -0.39 1.48 0.00 -0.24 -0.54 121.76 119.80 1w40 s ALA 84 Ca 0.07 -0.66 -0.22 0.00 0.00 0.00 0.00 51.96 51.15 1w40 s ALA 84 Cb 0.02 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.56 1w40 s ALA 84 CO -0.08 0.23 0.72 0.08 0.00 0.00 0.00 175.76 176.72 1w40 s VAL 85 N 0.29 4.78 -0.16 0.00 1.01 0.11 -1.66 120.40 124.77 1w40 s VAL 85 Ca -0.10 0.63 -0.16 0.00 0.00 0.00 0.00 61.98 62.34 1w40 s VAL 85 Cb -0.14 -4.19 -0.23 0.00 0.00 0.00 0.00 36.38 31.82 1w40 s VAL 85 CO 0.04 -0.47 0.34 0.58 0.00 0.00 0.00 175.10 175.59 1w40 h VAL 86 N 5.79 0.87 -3.31 2.92 2.07 -1.02 0.35 116.25 123.92 1w40 h VAL 86 Ca -0.25 -2.27 -0.42 0.00 0.82 0.00 0.00 66.70 64.58 1w40 h VAL 86 Cb 1.10 2.42 -0.37 0.00 -1.52 0.00 0.00 31.29 32.92 1w40 h VAL 86 CO 0.89 0.56 -0.76 -0.62 0.02 0.00 0.00 177.57 177.67 1w40 s ASP 87 N -6.93 1.33 0.48 0.57 2.15 -0.52 -4.44 116.67 109.32 1w40 s ASP 87 Ca -0.25 -0.06 0.27 0.00 0.43 0.00 0.00 52.55 52.94 1w40 s ASP 87 Cb 0.06 -0.38 1.10 0.00 -0.30 0.00 0.00 42.92 43.39 1w40 s ASP 87 CO 0.68 -0.17 1.89 1.55 -0.17 0.00 0.00 175.17 178.95 1w40 h PRO 88 N 8.09 0.00 0.00 4.34 0.13 -1.90 0.52 132.00 143.19 1w40 h PRO 88 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1w40 h PRO 88 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1w40 h PRO 88 CO 0.29 0.14 0.00 0.41 -0.23 0.00 0.00 178.00 178.61 1w40 n GLY 89 N 0.07 3.91 0.45 1.56 0.00 -1.26 -1.19 105.19 108.73 1w40 n GLY 89 Ca 0.00 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1w40 n GLY 89 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1w40 n GLU 90 N 13.75 1.48 -2.36 1.61 1.02 -1.26 -4.93 120.64 129.95 1w40 n GLU 90 Ca 0.00 -0.91 -0.36 0.00 -0.02 0.00 0.00 57.16 55.87 1w40 n GLU 90 Cb 0.00 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 29.92 1w40 n GLU 90 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1w40 s SER 91 N -2.15 6.21 -0.07 1.62 0.15 -0.34 -4.95 113.70 114.18 1w40 s SER 91 Ca 0.33 2.17 0.17 0.00 0.70 0.00 0.00 55.95 59.32 1w40 s SER 91 Cb 0.20 -2.59 0.60 0.00 -1.71 0.00 0.00 66.02 62.53 1w40 s SER 91 CO 0.39 -0.88 1.50 0.54 1.20 0.00 0.00 173.24 175.99 1w40 n ARG 92 N -0.65 3.07 0.28 5.44 1.74 -1.26 -4.70 116.66 120.57 1w40 n ARG 92 Ca 0.08 -2.41 0.18 0.00 -0.77 0.00 0.00 57.85 54.93 1w40 n ARG 92 Cb 0.50 -1.71 0.95 0.00 -1.02 0.00 0.00 32.46 31.18 1w40 n ARG 92 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1w40 h ILE 93 N 3.60 0.32 0.00 0.55 6.09 -1.92 -2.46 117.51 123.69 1w40 h ILE 93 Ca 0.00 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.47 1w40 h ILE 93 Cb 1.14 0.90 -0.00 0.00 0.47 0.00 0.00 36.82 39.33 1w40 h ILE 93 CO 0.14 0.00 -0.10 -0.07 -3.07 0.00 0.00 178.15 175.04 1w40 h LEU 94 N 0.00 0.00 -2.00 2.19 3.38 -1.96 -2.84 115.31 114.07 1w40 h LEU 94 Ca 0.03 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.16 1w40 h LEU 94 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1w40 h LEU 94 CO -0.00 0.10 0.45 0.00 0.09 0.00 0.00 178.44 179.09 1w40 h ALA 95 N 1.90 2.40 0.00 1.53 0.00 -1.84 -0.36 119.26 122.90 1w40 h ALA 95 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1w40 h ALA 95 Cb 0.70 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1w40 h ALA 95 CO 0.01 -0.73 0.00 1.28 0.00 0.00 0.00 179.25 179.81 1w40 n LEU 96 N -4.08 0.18 0.00 0.00 4.77 -1.07 -5.13 117.00 111.66 1w40 n LEU 96 Ca 0.10 0.56 0.12 0.00 -0.03 0.00 0.00 56.01 56.76 1w40 n LEU 96 Cb 0.67 -0.55 0.70 0.00 -2.33 0.00 0.00 43.42 41.91 1w40 n LEU 96 CO 0.33 -0.45 0.88 0.61 -1.33 0.00 0.00 177.39 177.43