#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jy6 s GLN 2 N 0.00 2.95 0.22 3.17 -1.52 -1.26 -0.10 119.66 123.13 2jy6 s GLN 2 Ca 0.00 -0.87 -0.08 0.00 -1.95 0.00 0.00 55.36 52.45 2jy6 s GLN 2 Cb 0.00 -2.66 -0.02 0.00 -0.22 0.00 0.00 33.01 30.11 2jy6 s GLN 2 CO 0.00 0.47 0.34 0.96 -0.25 0.00 0.00 175.29 176.81 2jy6 s ILE 3 N -1.81 0.00 -0.05 1.08 -4.36 -0.03 -0.57 121.20 115.47 2jy6 s ILE 3 Ca 0.32 -1.62 0.06 0.00 -0.26 0.00 0.00 60.65 59.14 2jy6 s ILE 3 Cb -0.10 -2.28 -0.01 0.00 1.25 0.00 0.00 42.46 41.32 2jy6 s ILE 3 CO 0.24 -0.02 -0.23 -0.36 0.24 0.00 0.00 174.94 174.81 2jy6 s PHE 4 N -4.07 2.21 -0.12 1.37 0.40 0.36 -2.21 117.98 115.93 2jy6 s PHE 4 Ca 0.28 -0.62 0.01 0.00 -0.60 0.00 0.00 56.93 56.00 2jy6 s PHE 4 Cb 0.02 -1.45 0.02 0.00 0.51 0.00 0.00 43.02 42.12 2jy6 s PHE 4 CO 0.09 -0.18 -0.16 0.08 0.70 0.00 0.00 175.22 175.75 2jy6 s VAL 5 N -0.17 1.60 -0.17 -0.44 1.01 0.94 0.36 120.40 123.54 2jy6 s VAL 5 Ca -0.02 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2jy6 s VAL 5 Cb -0.13 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.80 2jy6 s VAL 5 CO 0.03 0.46 -0.16 -0.54 0.00 0.00 0.00 175.10 174.89 2jy6 s LYS 6 N 1.08 3.14 0.74 2.72 1.02 0.14 0.00 119.74 128.58 2jy6 s LYS 6 Ca -0.04 -0.77 -0.11 0.00 0.02 0.00 0.00 55.97 55.07 2jy6 s LYS 6 Cb -0.14 -2.64 0.17 0.00 -0.52 0.00 0.00 37.83 34.69 2jy6 s LYS 6 CO -0.04 -0.10 1.01 0.25 -0.92 0.00 0.00 175.35 175.55 2jy6 n THR 7 N 4.37 0.00 0.22 2.17 -2.24 -1.22 -0.64 114.28 116.95 2jy6 n THR 7 Ca -0.20 -0.85 0.11 0.00 -2.27 0.00 0.00 64.05 60.85 2jy6 n THR 7 Cb 0.51 -1.52 0.69 0.00 -2.10 0.00 0.00 70.33 67.91 2jy6 n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2jy6 h LEU 8 N 0.00 0.00 -0.54 3.22 3.38 -1.91 0.05 115.31 119.50 2jy6 h LEU 8 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2jy6 h LEU 8 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2jy6 h LEU 8 CO 0.25 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.13 2jy6 n THR 9 N -4.39 0.08 -2.18 0.22 -2.24 -1.26 -4.89 114.28 99.63 2jy6 n THR 9 Ca -0.01 -0.16 -0.05 0.00 -2.27 0.00 0.00 64.05 61.56 2jy6 n THR 9 Cb 0.18 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 2jy6 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jy6 n GLY 10 N 0.98 0.22 3.84 3.38 0.00 0.00 -5.03 105.19 108.58 2jy6 n GLY 10 Ca 0.16 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 2jy6 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jy6 s LYS 11 N -4.38 3.57 -0.47 1.61 2.20 -1.26 -4.84 119.74 116.17 2jy6 s LYS 11 Ca 0.02 0.95 0.01 0.00 -0.36 0.00 0.00 55.97 56.59 2jy6 s LYS 11 Cb -0.01 -2.08 0.12 0.00 -1.51 0.00 0.00 37.83 34.36 2jy6 s LYS 11 CO 0.02 -0.59 0.23 0.99 -0.36 0.00 0.00 175.35 175.65 2jy6 s THR 12 N -2.81 2.89 -0.29 3.43 2.01 -1.26 -3.37 115.64 116.24 2jy6 s THR 12 Ca 0.59 -2.73 -0.11 0.00 0.31 0.00 0.00 61.69 59.75 2jy6 s THR 12 Cb -0.12 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 2jy6 s THR 12 CO 0.42 -0.74 0.18 -0.63 -0.69 0.00 0.00 174.62 173.16 2jy6 s ILE 13 N 0.37 5.10 -0.08 1.82 1.01 0.10 -4.93 121.20 124.60 2jy6 s ILE 13 Ca 0.14 0.01 -0.19 0.00 0.00 0.00 0.00 60.65 60.61 2jy6 s ILE 13 Cb -0.22 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 2jy6 s ILE 13 CO -0.04 0.20 0.51 -0.89 0.00 0.00 0.00 174.94 174.73 2jy6 s THR 14 N 1.72 5.10 0.11 2.92 2.01 -1.26 -0.04 115.64 126.20 2jy6 s THR 14 Ca 0.07 1.04 -0.01 0.00 0.31 0.00 0.00 61.69 63.10 2jy6 s THR 14 Cb -0.16 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2jy6 s THR 14 CO 0.09 0.37 0.04 -0.76 -0.69 0.00 0.00 174.62 173.67 2jy6 s LEU 15 N 0.27 1.94 -0.10 4.42 1.02 -0.94 -5.00 118.68 120.30 2jy6 s LEU 15 Ca 0.28 -1.14 0.01 0.00 0.02 0.00 0.00 54.13 53.29 2jy6 s LEU 15 Cb -0.16 0.29 -0.02 0.00 0.02 0.00 0.00 46.19 46.32 2jy6 s LEU 15 CO 0.13 -0.70 -0.11 -0.70 0.02 0.00 0.00 176.35 174.99 2jy6 s GLU 16 N -4.01 3.02 0.26 1.70 2.12 -1.26 -0.85 118.70 119.68 2jy6 s GLU 16 Ca 0.19 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 54.89 2jy6 s GLU 16 Cb 0.08 -2.59 0.00 0.00 0.26 0.00 0.00 34.13 31.88 2jy6 s GLU 16 CO -0.01 0.44 0.34 1.33 -0.54 0.00 0.00 175.26 176.82 2jy6 n VAL 17 N 2.87 0.00 -4.20 3.70 0.24 0.86 -4.97 118.33 116.83 2jy6 n VAL 17 Ca -0.18 -1.44 -0.13 0.00 -2.04 0.00 0.00 64.34 60.55 2jy6 n VAL 17 Cb 0.53 0.84 -0.10 0.00 -1.47 0.00 0.00 33.84 33.64 2jy6 n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2jy6 s GLU 18 N -2.69 0.93 0.51 7.34 0.41 -1.26 0.21 118.70 124.16 2jy6 s GLU 18 Ca 0.24 -1.36 0.15 0.00 -0.41 0.00 0.00 54.97 53.59 2jy6 s GLU 18 Cb -0.00 -0.43 1.24 0.00 -1.78 0.00 0.00 34.13 33.15 2jy6 s GLU 18 CO 0.17 0.04 2.14 -1.35 -0.49 0.00 0.00 175.26 175.76 2jy6 h PRO 19 N 2.97 0.05 -0.88 0.39 0.11 -1.94 -1.04 132.00 131.65 2jy6 h PRO 19 Ca -0.36 -0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.43 2jy6 h PRO 19 Cb 1.18 -0.01 -0.19 0.00 0.11 0.00 0.00 31.00 32.09 2jy6 h PRO 19 CO 0.63 0.03 0.41 -1.13 -0.21 0.00 0.00 178.00 177.72 2jy6 n SER 20 N -4.53 4.19 -4.80 -2.05 3.41 -1.26 -2.55 113.62 106.03 2jy6 n SER 20 Ca -0.02 -3.26 -0.38 0.00 -0.26 0.00 0.00 58.87 54.94 2jy6 n SER 20 Cb 0.09 -0.76 -0.06 0.00 -0.26 0.00 0.00 64.21 63.22 2jy6 n SER 20 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jy6 s ASP 21 N -0.96 6.90 0.34 4.04 -1.08 -0.40 -4.91 116.67 120.60 2jy6 s ASP 21 Ca 0.51 1.07 -0.11 0.00 -0.52 0.00 0.00 52.55 53.49 2jy6 s ASP 21 Cb 0.42 -2.31 -0.07 0.00 -1.46 0.00 0.00 42.92 39.49 2jy6 s ASP 21 CO 0.11 0.22 0.70 0.42 0.52 0.00 0.00 175.17 177.14 2jy6 s THR 22 N -0.66 4.80 0.32 1.71 -4.23 -1.26 -0.46 115.64 115.87 2jy6 s THR 22 Ca 0.27 0.64 0.01 0.00 -1.18 0.00 0.00 61.69 61.42 2jy6 s THR 22 Cb -0.18 -3.68 0.27 0.00 1.34 0.00 0.00 72.50 70.26 2jy6 s THR 22 CO 0.15 -0.33 1.96 0.40 -0.54 0.00 0.00 174.62 176.27 2jy6 h ILE 23 N 1.53 1.14 -0.91 2.99 1.08 -0.61 -0.80 117.51 121.93 2jy6 h ILE 23 Ca -0.47 -0.34 -0.01 0.00 -0.39 0.00 0.00 64.86 63.64 2jy6 h ILE 23 Cb 1.18 0.07 -0.04 0.00 -3.07 0.00 0.00 36.82 34.95 2jy6 h ILE 23 CO 0.65 0.18 0.52 -0.08 -0.69 0.00 0.00 178.15 178.73 2jy6 h GLU 24 N 0.99 1.25 -0.56 2.37 4.81 -1.72 -0.59 114.58 121.13 2jy6 h GLU 24 Ca 0.31 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 59.30 2jy6 h GLU 24 Cb 0.01 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.12 2jy6 h GLU 24 CO -0.09 0.90 -0.07 -0.97 -0.73 0.00 0.00 179.01 178.05 2jy6 h ASN 25 N 1.26 1.03 -0.00 1.04 -1.24 -1.52 -2.03 115.58 114.11 2jy6 h ASN 25 Ca 0.32 -0.32 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 2jy6 h ASN 25 Cb -0.01 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 38.76 2jy6 h ASN 25 CO -0.06 1.12 0.00 0.58 -1.29 0.00 0.00 177.43 177.78 2jy6 h VAL 26 N 0.93 1.10 -0.84 2.57 2.07 -0.70 -2.03 116.25 119.35 2jy6 h VAL 26 Ca 0.15 -0.31 0.15 0.00 0.82 0.00 0.00 66.70 67.51 2jy6 h VAL 26 Cb 0.63 1.31 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 2jy6 h VAL 26 CO 0.04 0.08 0.55 0.11 0.02 0.00 0.00 177.57 178.37 2jy6 h LYS 27 N -0.13 0.55 -0.50 1.57 1.57 -1.01 -0.39 116.57 118.23 2jy6 h LYS 27 Ca 0.00 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 2jy6 h LYS 27 Cb 0.13 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2jy6 h LYS 27 CO -0.00 0.36 0.06 0.00 -0.57 0.00 0.00 179.45 179.31 2jy6 h ALA 28 N 1.62 0.66 -0.02 3.86 0.00 -0.90 -0.14 119.26 124.34 2jy6 h ALA 28 Ca 0.42 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jy6 h ALA 28 Cb 0.79 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2jy6 h ALA 28 CO -0.17 0.41 0.02 0.87 0.00 0.00 0.00 179.25 180.38 2jy6 h LYS 29 N 0.71 0.03 -0.72 0.00 1.57 -0.41 -0.67 116.57 117.08 2jy6 h LYS 29 Ca 0.15 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2jy6 h LYS 29 Cb 0.42 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 2jy6 h LYS 29 CO 0.01 0.05 0.44 0.82 -0.57 0.00 0.00 179.45 180.20 2jy6 h ILE 30 N 0.01 1.20 -0.65 1.86 2.04 -1.16 -0.08 117.51 120.72 2jy6 h ILE 30 Ca 0.01 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 2jy6 h ILE 30 Cb 0.02 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.25 2jy6 h ILE 30 CO -0.00 0.21 0.35 -0.61 0.00 0.00 0.00 178.15 178.10 2jy6 h GLN 31 N 0.99 0.90 -0.06 2.37 4.15 -0.53 0.17 115.11 123.11 2jy6 h GLN 31 Ca 0.26 -0.10 -0.07 0.00 0.77 0.00 0.00 58.65 59.51 2jy6 h GLN 31 Cb -0.05 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.47 2jy6 h GLN 31 CO -0.05 0.67 -0.24 0.22 -1.93 0.00 0.00 178.83 177.50 2jy6 h ASP 32 N 0.91 0.32 0.29 -0.69 3.58 -0.15 -1.69 116.42 119.00 2jy6 h ASP 32 Ca 0.23 -0.63 -0.01 0.00 0.42 0.00 0.00 57.03 57.03 2jy6 h ASP 32 Cb 0.04 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.00 2jy6 h ASP 32 CO -0.04 0.90 -0.14 0.11 -2.88 0.00 0.00 179.24 177.19 2jy6 h LYS 33 N -0.24 -0.38 0.02 0.28 1.57 -0.78 -3.39 116.57 113.65 2jy6 h LYS 33 Ca -0.01 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2jy6 h LYS 33 Cb 0.88 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2jy6 h LYS 33 CO 0.05 -0.25 -0.01 0.93 -0.57 0.00 0.00 179.45 179.60 2jy6 h GLU 34 N -0.52 -0.03 0.00 3.15 4.39 -0.84 -3.49 114.58 117.25 2jy6 h GLU 34 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2jy6 h GLU 34 Cb 0.30 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2jy6 h GLU 34 CO 0.07 0.68 0.00 0.41 -1.16 0.00 0.00 179.01 179.01 2jy6 n GLY 35 N 1.42 1.06 3.70 -3.84 0.00 -0.63 -5.03 105.19 101.87 2jy6 n GLY 35 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2jy6 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jy6 s ILE 36 N -2.00 3.47 0.22 -0.61 1.01 -1.26 -4.95 121.20 117.08 2jy6 s ILE 36 Ca 0.00 0.97 -0.31 0.00 0.00 0.00 0.00 60.65 61.31 2jy6 s ILE 36 Cb 0.00 -3.62 -0.10 0.00 0.01 0.00 0.00 42.46 38.74 2jy6 s ILE 36 CO 0.00 0.04 1.54 -2.84 0.00 0.00 0.00 174.94 173.68 2jy6 s PRO 37 N 1.79 4.21 0.48 2.79 0.02 -1.26 -4.05 135.00 138.97 2jy6 s PRO 37 Ca 0.65 2.41 0.24 0.00 0.02 0.00 0.00 61.00 64.32 2jy6 s PRO 37 Cb -0.35 -3.11 1.29 0.00 0.02 0.00 0.00 34.50 32.35 2jy6 s PRO 37 CO 0.29 -0.56 1.89 -1.35 -0.33 0.00 0.00 177.00 176.93 2jy6 h PRO 38 N 5.84 0.18 0.00 5.54 0.11 -1.93 0.19 132.00 141.93 2jy6 h PRO 38 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2jy6 h PRO 38 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2jy6 h PRO 38 CO 0.85 0.12 0.00 -0.25 -0.21 0.00 0.00 178.00 178.51 2jy6 n ASP 39 N -4.40 0.62 -0.59 -2.05 8.00 -1.26 -1.36 116.55 115.51 2jy6 n ASP 39 Ca 0.18 0.66 0.06 0.00 0.71 0.00 0.00 54.79 56.40 2jy6 n ASP 39 Cb 0.79 -0.79 0.10 0.00 -0.02 0.00 0.00 41.12 41.20 2jy6 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jy6 n GLN 40 N -2.20 1.60 -3.82 -1.24 6.02 0.62 -4.95 117.38 113.41 2jy6 n GLN 40 Ca 0.02 -1.60 -0.36 0.00 -0.01 0.00 0.00 57.00 55.05 2jy6 n GLN 40 Cb 0.21 -1.27 -0.11 0.00 1.02 0.00 0.00 30.24 30.09 2jy6 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2jy6 s GLN 41 N -1.03 3.81 -0.05 -1.09 -0.21 -0.47 -4.35 119.66 116.28 2jy6 s GLN 41 Ca 0.19 -0.41 0.06 0.00 0.02 0.00 0.00 55.36 55.22 2jy6 s GLN 41 Cb 0.12 -3.34 -0.01 0.00 1.00 0.00 0.00 33.01 30.78 2jy6 s GLN 41 CO 0.17 -0.03 -0.22 1.03 -2.12 0.00 0.00 175.29 174.11 2jy6 s ARG 42 N 1.22 2.25 -0.22 2.91 0.52 -0.58 -4.96 118.95 120.09 2jy6 s ARG 42 Ca 0.05 -0.80 -0.04 0.00 -0.52 0.00 0.00 55.73 54.42 2jy6 s ARG 42 Cb -0.14 -1.93 -0.01 0.00 0.52 0.00 0.00 34.95 33.38 2jy6 s ARG 42 CO 0.04 0.34 -0.02 -0.51 0.02 0.00 0.00 175.30 175.16 2jy6 s LEU 43 N -0.11 3.03 -0.14 2.53 1.43 -1.26 0.28 118.68 124.43 2jy6 s LEU 43 Ca -0.03 -0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 2jy6 s LEU 43 Cb -0.13 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 2jy6 s LEU 43 CO 0.03 -0.00 -0.09 -0.63 0.23 0.00 0.00 176.35 175.89 2jy6 s ILE 44 N 1.38 3.45 -0.22 -0.59 1.09 0.15 0.09 121.20 126.55 2jy6 s ILE 44 Ca 0.05 -0.52 -0.01 0.00 -1.10 0.00 0.00 60.65 59.07 2jy6 s ILE 44 Cb -0.14 -2.48 0.06 0.00 -1.06 0.00 0.00 42.46 38.83 2jy6 s ILE 44 CO -0.01 0.51 0.00 0.12 -0.10 0.00 0.00 174.94 175.46 2jy6 s PHE 45 N 0.36 1.63 -2.12 3.97 5.36 0.67 -1.02 117.98 126.83 2jy6 s PHE 45 Ca -0.08 -1.27 0.00 0.00 -0.96 0.00 0.00 56.93 54.62 2jy6 s PHE 45 Cb -0.15 -1.29 0.00 0.00 -0.34 0.00 0.00 43.02 41.24 2jy6 s PHE 45 CO 0.04 -0.69 0.00 0.00 -1.46 0.00 0.00 175.22 173.11 2jy6 n ALA 46 N 4.88 -0.33 0.00 11.12 0.00 -1.26 -1.01 120.51 133.91 2jy6 n ALA 46 Ca -0.10 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2jy6 n ALA 46 Cb 0.46 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.88 2jy6 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jy6 n GLY 47 N -0.52 0.40 3.85 0.00 0.00 -1.26 -5.08 105.19 102.58 2jy6 n GLY 47 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 2jy6 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jy6 s LYS 48 N -0.86 3.59 -0.28 1.61 1.02 -0.18 -5.07 119.74 119.58 2jy6 s LYS 48 Ca 0.00 -0.11 -0.22 0.00 0.02 0.00 0.00 55.97 55.66 2jy6 s LYS 48 Cb 0.00 -3.23 -0.01 0.00 -0.52 0.00 0.00 37.83 34.07 2jy6 s LYS 48 CO 0.00 0.69 0.72 -1.14 -0.92 0.00 0.00 175.35 174.70 2jy6 s GLN 49 N -0.79 4.04 -0.24 1.68 0.74 -1.26 -0.24 119.66 123.59 2jy6 s GLN 49 Ca 0.14 0.59 -0.29 0.00 0.05 0.00 0.00 55.36 55.86 2jy6 s GLN 49 Cb -0.12 -3.69 0.01 0.00 1.10 0.00 0.00 33.01 30.31 2jy6 s GLN 49 CO 0.04 -0.54 1.02 -0.51 -0.55 0.00 0.00 175.29 174.74 2jy6 s LEU 50 N 2.72 4.09 0.46 3.68 1.43 0.11 -5.00 118.68 126.17 2jy6 s LEU 50 Ca 0.30 1.32 -0.21 0.00 -1.03 0.00 0.00 54.13 54.51 2jy6 s LEU 50 Cb -0.15 -3.50 -0.10 0.00 0.03 0.00 0.00 46.19 42.47 2jy6 s LEU 50 CO 0.10 -0.67 1.00 -1.61 0.23 0.00 0.00 176.35 175.40 2jy6 s GLU 51 N 3.20 3.99 0.15 1.70 2.02 -1.26 -4.42 118.70 124.08 2jy6 s GLU 51 Ca 0.43 1.26 -0.16 0.00 0.02 0.00 0.00 54.97 56.52 2jy6 s GLU 51 Cb -0.15 -2.14 0.05 0.00 0.10 0.00 0.00 34.13 31.99 2jy6 s GLU 51 CO 0.07 -0.26 1.77 -0.44 0.02 0.00 0.00 175.26 176.42 2jy6 h ASP 52 N 1.72 0.21 -0.03 -0.19 5.19 -1.95 -2.91 116.42 118.46 2jy6 h ASP 52 Ca -0.49 0.03 -0.11 0.00 -0.62 0.00 0.00 57.03 55.84 2jy6 h ASP 52 Cb 1.20 -0.01 -0.04 0.00 0.18 0.00 0.00 39.33 40.67 2jy6 h ASP 52 CO 0.60 0.16 -0.17 0.61 -3.12 0.00 0.00 179.24 177.32 2jy6 n GLY 53 N -1.21 2.81 3.29 2.75 0.00 -1.26 -2.50 105.19 109.07 2jy6 n GLY 53 Ca 0.01 -0.64 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 2jy6 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jy6 s ARG 54 N 0.41 1.24 0.26 1.61 1.81 -1.10 -5.02 118.95 118.16 2jy6 s ARG 54 Ca 0.34 -1.61 0.10 0.00 -1.72 0.00 0.00 55.73 52.84 2jy6 s ARG 54 Cb 0.17 -0.49 -0.04 0.00 -0.45 0.00 0.00 34.95 34.13 2jy6 s ARG 54 CO -0.00 -0.10 -0.03 0.95 -0.68 0.00 0.00 175.30 175.44 2jy6 s THR 55 N -3.50 3.36 -0.95 0.02 -4.23 -1.26 -0.14 115.64 108.93 2jy6 s THR 55 Ca 0.26 -1.93 0.12 0.00 -1.18 0.00 0.00 61.69 58.96 2jy6 s THR 55 Cb 0.06 -2.78 0.10 0.00 1.34 0.00 0.00 72.50 71.22 2jy6 s THR 55 CO 0.06 -0.36 1.38 0.18 -0.54 0.00 0.00 174.62 175.35 2jy6 n LEU 56 N -0.80 0.05 0.13 4.79 4.77 0.40 -1.60 117.00 124.75 2jy6 n LEU 56 Ca -0.07 0.52 0.07 0.00 -0.03 0.00 0.00 56.01 56.50 2jy6 n LEU 56 Cb 0.59 -0.51 0.04 0.00 -2.33 0.00 0.00 43.42 41.21 2jy6 n LEU 56 CO 0.40 -0.34 0.30 0.77 -1.33 0.00 0.00 177.39 177.19 2jy6 h SER 57 N 0.00 0.00 0.04 -1.43 4.64 -1.75 0.42 113.55 115.47 2jy6 h SER 57 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jy6 h SER 57 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2jy6 h SER 57 CO 0.00 0.22 -0.02 0.44 -0.87 0.00 0.00 176.83 176.60 2jy6 h ASP 58 N 0.00 -0.05 -0.17 4.97 3.32 -1.63 -2.89 116.42 119.98 2jy6 h ASP 58 Ca -0.03 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2jy6 h ASP 58 Cb 1.20 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2jy6 h ASP 58 CO 0.02 0.34 0.00 -1.22 -1.72 0.00 0.00 179.24 176.66 2jy6 n TYR 59 N -4.93 0.22 -3.57 4.55 4.01 -1.25 -4.92 117.16 111.26 2jy6 n TYR 59 Ca -0.08 -0.11 -0.20 0.00 -0.16 0.00 0.00 57.90 57.35 2jy6 n TYR 59 Cb 0.21 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.30 2jy6 n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2jy6 n ASN 60 N 0.17 -2.09 -4.57 7.72 2.85 -1.09 -4.90 115.26 113.35 2jy6 n ASN 60 Ca 0.15 -0.75 -0.42 0.00 -0.11 0.00 0.00 54.58 53.45 2jy6 n ASN 60 Cb 0.27 -4.50 -0.03 0.00 1.24 0.00 0.00 39.78 36.77 2jy6 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2jy6 s ILE 61 N -3.53 3.84 0.63 -1.44 -1.09 0.15 -5.00 121.20 114.75 2jy6 s ILE 61 Ca 0.06 0.64 -0.09 0.00 -2.23 0.00 0.00 60.65 59.03 2jy6 s ILE 61 Cb -0.01 -4.76 0.14 0.00 -1.58 0.00 0.00 42.46 36.25 2jy6 s ILE 61 CO 0.78 -1.54 0.85 0.00 -1.23 0.00 0.00 174.94 173.80 2jy6 n GLN 62 N 8.90 -0.68 -1.54 2.79 6.02 -1.26 -4.81 117.38 126.79 2jy6 n GLN 62 Ca 0.07 -1.47 -0.31 0.00 -0.01 0.00 0.00 57.00 55.28 2jy6 n GLN 62 Cb 0.49 -0.83 0.05 0.00 1.02 0.00 0.00 30.24 30.97 2jy6 n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2jy6 s LYS 63 N -4.82 2.85 -0.42 -1.09 -2.85 -1.26 -3.51 119.74 108.64 2jy6 s LYS 63 Ca 0.50 1.00 0.00 0.00 -1.00 0.00 0.00 55.97 56.46 2jy6 s LYS 63 Cb -0.02 -1.98 0.00 0.00 -2.06 0.00 0.00 37.83 33.78 2jy6 s LYS 63 CO 0.34 -1.17 0.00 0.39 0.10 0.00 0.00 175.35 175.02 2jy6 n GLU 64 N -3.15 -1.40 -2.42 1.78 -0.58 0.27 -4.96 120.64 110.18 2jy6 n GLU 64 Ca 0.08 0.55 -0.34 0.00 -0.42 0.00 0.00 57.16 57.02 2jy6 n GLU 64 Cb 0.53 -4.68 -0.02 0.00 -0.57 0.00 0.00 31.44 26.70 2jy6 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2jy6 s SER 65 N -2.21 6.12 -0.46 1.62 0.01 -1.23 -4.67 113.70 112.88 2jy6 s SER 65 Ca 0.00 1.98 -0.10 0.00 1.31 0.00 0.00 55.95 59.14 2jy6 s SER 65 Cb 0.00 -2.56 0.10 0.00 0.21 0.00 0.00 66.02 63.77 2jy6 s SER 65 CO 0.00 -0.94 0.33 -0.89 0.41 0.00 0.00 173.24 172.15 2jy6 s THR 66 N -1.97 4.35 -0.08 1.44 2.01 -1.26 -0.49 115.64 119.65 2jy6 s THR 66 Ca 0.68 -1.58 -0.17 0.00 0.31 0.00 0.00 61.69 60.94 2jy6 s THR 66 Cb -0.18 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 2jy6 s THR 66 CO 0.23 -0.67 0.44 -0.76 -0.69 0.00 0.00 174.62 173.17 2jy6 s LEU 67 N 1.42 4.34 -0.28 4.42 1.02 0.16 -4.82 118.68 124.94 2jy6 s LEU 67 Ca 0.04 0.84 -0.09 0.00 0.02 0.00 0.00 54.13 54.94 2jy6 s LEU 67 Cb -0.25 -2.63 -0.02 0.00 0.02 0.00 0.00 46.19 43.30 2jy6 s LEU 67 CO 0.01 0.12 0.13 -1.00 0.02 0.00 0.00 176.35 175.62 2jy6 s HIS 68 N 0.05 3.15 -0.30 0.29 3.76 -0.19 0.24 115.29 122.29 2jy6 s HIS 68 Ca 0.24 -0.37 -0.19 0.00 -0.15 0.00 0.00 55.06 54.58 2jy6 s HIS 68 Cb -0.15 -2.31 -0.01 0.00 1.11 0.00 0.00 32.58 31.21 2jy6 s HIS 68 CO 0.11 -0.36 0.59 -1.17 -0.85 0.00 0.00 174.74 173.06 2jy6 s LEU 69 N 1.64 4.16 -0.18 0.89 2.96 0.18 0.31 118.68 128.65 2jy6 s LEU 69 Ca 0.06 0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 54.24 2jy6 s LEU 69 Cb -0.16 -2.74 -0.05 0.00 0.50 0.00 0.00 46.19 43.74 2jy6 s LEU 69 CO 0.06 -0.44 0.17 -0.69 -1.32 0.00 0.00 176.35 174.13 2jy6 s VAL 70 N 2.51 5.40 -0.64 1.68 1.01 0.14 -2.81 120.40 127.70 2jy6 s VAL 70 Ca 0.23 0.27 -0.00 0.00 0.00 0.00 0.00 61.98 62.48 2jy6 s VAL 70 Cb -0.15 -3.49 0.16 0.00 0.00 0.00 0.00 36.38 32.90 2jy6 s VAL 70 CO 0.11 0.46 0.44 -0.76 0.00 0.00 0.00 175.10 175.36 2jy6 s LEU 71 N 0.13 4.99 -0.32 3.92 1.43 -1.26 -1.53 118.68 126.04 2jy6 s LEU 71 Ca 0.11 -3.10 -0.28 0.00 -1.03 0.00 0.00 54.13 49.83 2jy6 s LEU 71 Cb -0.12 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.33 2jy6 s LEU 71 CO 0.00 -0.28 1.05 -0.60 0.23 0.00 0.00 176.35 176.75 2jy6 s ARG 72 N -0.41 4.06 0.35 1.70 3.00 -1.26 -5.03 118.95 121.35 2jy6 s ARG 72 Ca 0.19 1.03 0.07 0.00 -1.00 0.00 0.00 55.73 56.02 2jy6 s ARG 72 Cb -0.19 -3.74 -0.01 0.00 0.00 0.00 0.00 34.95 31.02 2jy6 s ARG 72 CO -0.05 -0.88 0.45 -0.51 0.00 0.00 0.00 175.30 174.31 2jy6 s LEU 73 N 3.58 3.87 0.23 -0.88 1.43 -1.26 -4.99 118.68 120.67 2jy6 s LEU 73 Ca 0.44 -0.27 0.23 0.00 -1.03 0.00 0.00 54.13 53.50 2jy6 s LEU 73 Cb -0.12 -2.64 0.13 0.00 0.03 0.00 0.00 46.19 43.58 2jy6 s LEU 73 CO 0.15 -0.46 1.20 0.03 0.23 0.00 0.00 176.35 177.50 2jy6 h ARG 74 N 0.93 0.00 0.00 1.70 2.47 -2.04 -3.46 114.38 113.98 2jy6 h ARG 74 Ca -0.45 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 2jy6 h ARG 74 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 2jy6 h ARG 74 CO 0.53 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.47 2jy6 n GLY 75 N 1.19 0.90 0.00 0.04 0.00 -1.26 -5.38 105.19 100.69 2jy6 n GLY 75 Ca 0.01 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.31 2jy6 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93