#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 3.88 0.35 3.17 -1.52 -1.26 -1.32 119.66 122.96 2jy6 s GLN 2 Ca 0.00 0.46 -0.08 0.00 -1.95 0.00 0.00 55.36 53.79 2jy6 s GLN 2 Cb 0.00 -2.52 0.02 0.00 -0.22 0.00 0.00 33.01 30.29 2jy6 s GLN 2 CO 0.00 0.20 0.59 0.96 -0.25 0.00 0.00 175.29 176.79 2jy6 s ILE 3 N -1.97 0.00 -0.03 1.08 -4.36 -0.96 0.31 121.20 115.27 2jy6 s ILE 3 Ca 0.51 -1.37 0.03 0.00 -0.26 0.00 0.00 60.65 59.55 2jy6 s ILE 3 Cb -0.11 -2.69 0.00 0.00 1.25 0.00 0.00 42.46 40.92 2jy6 s ILE 3 CO 0.21 0.00 -0.10 -0.36 0.24 0.00 0.00 174.94 174.93 2jy6 s PHE 4 N -2.86 1.07 -0.31 1.37 0.08 -0.25 -3.38 117.98 113.69 2jy6 s PHE 4 Ca 0.25 -0.27 0.02 0.00 0.12 0.00 0.00 56.93 57.04 2jy6 s PHE 4 Cb -0.02 -0.75 0.07 0.00 -0.57 0.00 0.00 43.02 41.75 2jy6 s PHE 4 CO 0.16 -0.11 -0.01 0.08 -0.10 0.00 0.00 175.22 175.25 2jy6 s VAL 5 N 0.17 2.50 -0.24 -0.44 1.01 0.24 -0.12 120.40 123.52 2jy6 s VAL 5 Ca -0.03 -1.83 -0.07 0.00 0.00 0.00 0.00 61.98 60.05 2jy6 s VAL 5 Cb -0.09 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 2jy6 s VAL 5 CO 0.01 -0.28 0.06 -0.54 0.00 0.00 0.00 175.10 174.35 2jy6 s LYS 6 N 1.08 3.67 0.63 2.72 1.02 0.16 0.12 119.74 129.14 2jy6 s LYS 6 Ca -0.01 -0.47 -0.11 0.00 0.02 0.00 0.00 55.97 55.40 2jy6 s LYS 6 Cb -0.20 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 2jy6 s LYS 6 CO -0.05 -0.14 1.03 0.95 -0.92 0.00 0.00 175.35 176.23 2jy6 s THR 7 N 1.47 4.62 0.57 2.17 -4.23 0.06 -1.47 115.64 118.83 2jy6 s THR 7 Ca 0.06 0.86 0.26 0.00 -1.18 0.00 0.00 61.69 61.69 2jy6 s THR 7 Cb -0.15 -3.81 0.34 0.00 1.34 0.00 0.00 72.50 70.22 2jy6 s THR 7 CO 0.03 -1.10 2.20 0.17 -0.54 0.00 0.00 174.62 175.38 2jy6 h LEU 8 N -0.34 0.00 -0.76 4.79 -0.00 -1.84 0.47 115.31 117.64 2jy6 h LEU 8 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.44 2jy6 h LEU 8 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 2jy6 h LEU 8 CO 0.61 0.00 0.00 0.35 -0.00 0.00 0.00 178.44 179.40 2jy6 n THR 9 N -4.04 0.82 -0.31 0.15 -2.24 -1.26 -4.87 114.28 102.53 2jy6 n THR 9 Ca -0.02 0.24 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 2jy6 n THR 9 Cb 0.14 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 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 -0.02 1.56 3.70 3.38 0.00 0.16 -5.10 105.19 108.86 2jy6 n GLY 10 Ca 0.02 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.26 2.64 -0.20 1.61 2.20 -1.24 -4.91 119.74 118.58 2jy6 s LYS 11 Ca 0.00 -0.78 0.01 0.00 -0.36 0.00 0.00 55.97 54.84 2jy6 s LYS 11 Cb 0.00 -2.59 0.04 0.00 -1.51 0.00 0.00 37.83 33.77 2jy6 s LYS 11 CO 0.00 0.56 -0.11 0.99 -0.36 0.00 0.00 175.35 176.43 2jy6 s THR 12 N -1.29 1.68 -0.16 3.43 2.01 -1.26 -0.76 115.64 119.28 2jy6 s THR 12 Ca 0.25 -1.03 -0.02 0.00 0.31 0.00 0.00 61.69 61.21 2jy6 s THR 12 Cb -0.12 -1.74 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 2jy6 s THR 12 CO 0.18 0.18 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.57 2jy6 s ILE 13 N 1.38 3.30 0.26 1.82 1.09 0.12 -4.93 121.20 124.24 2jy6 s ILE 13 Ca -0.01 -0.55 -0.24 0.00 -1.10 0.00 0.00 60.65 58.75 2jy6 s ILE 13 Cb -0.16 -2.44 -0.09 0.00 -1.06 0.00 0.00 42.46 38.71 2jy6 s ILE 13 CO -0.08 0.49 0.84 -0.89 -0.10 0.00 0.00 174.94 175.20 2jy6 s THR 14 N 0.73 4.35 0.17 2.92 2.01 -1.26 -0.59 115.64 123.96 2jy6 s THR 14 Ca -0.04 1.63 -0.14 0.00 0.31 0.00 0.00 61.69 63.45 2jy6 s THR 14 Cb -0.15 -3.99 0.01 0.00 0.01 0.00 0.00 72.50 68.38 2jy6 s THR 14 CO 0.02 0.24 0.41 -0.76 -0.69 0.00 0.00 174.62 173.83 2jy6 s LEU 15 N -1.85 0.50 -0.06 4.42 1.43 -1.22 -4.95 118.68 116.94 2jy6 s LEU 15 Ca 0.45 -0.61 0.05 0.00 -1.03 0.00 0.00 54.13 52.99 2jy6 s LEU 15 Cb -0.19 1.72 -0.02 0.00 0.03 0.00 0.00 46.19 47.73 2jy6 s LEU 15 CO 0.24 -0.96 -0.20 -0.70 0.23 0.00 0.00 176.35 174.96 2jy6 s GLU 16 N -3.90 2.61 0.05 1.70 2.56 -1.26 -2.27 118.70 118.19 2jy6 s GLU 16 Ca 0.11 -0.81 -0.22 0.00 0.00 0.00 0.00 54.97 54.05 2jy6 s GLU 16 Cb 0.01 -2.28 0.05 0.00 2.00 0.00 0.00 34.13 33.91 2jy6 s GLU 16 CO -0.03 0.45 0.50 0.14 -0.56 0.00 0.00 175.26 175.76 2jy6 s VAL 17 N -0.31 0.03 0.18 3.70 -7.23 -0.44 -4.92 120.40 111.42 2jy6 s VAL 17 Ca 0.02 -0.28 0.06 0.00 -1.81 0.00 0.00 61.98 59.97 2jy6 s VAL 17 Cb -0.13 -0.97 -0.04 0.00 0.56 0.00 0.00 36.38 35.81 2jy6 s VAL 17 CO 0.02 -0.15 0.10 -1.61 -0.31 0.00 0.00 175.10 173.15 2jy6 s GLU 18 N -2.44 2.73 0.57 4.82 0.41 -1.26 0.23 118.70 123.76 2jy6 s GLU 18 Ca -0.05 -0.99 0.27 0.00 -0.41 0.00 0.00 54.97 53.79 2jy6 s GLU 18 Cb -0.01 -2.53 1.54 0.00 -1.78 0.00 0.00 34.13 31.36 2jy6 s GLU 18 CO -0.02 0.46 2.04 -1.35 -0.49 0.00 0.00 175.26 175.90 2jy6 h PRO 19 N 2.36 0.00 -0.28 0.39 0.11 -1.92 0.13 132.00 132.78 2jy6 h PRO 19 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jy6 h PRO 19 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2jy6 h PRO 19 CO 0.61 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.27 2jy6 n SER 20 N -3.95 2.18 -4.79 -2.05 3.41 -1.26 -1.72 113.62 105.45 2jy6 n SER 20 Ca 0.05 -1.85 -0.36 0.00 -0.26 0.00 0.00 58.87 56.45 2jy6 n SER 20 Cb 0.45 -0.18 -0.05 0.00 -0.26 0.00 0.00 64.21 64.17 2jy6 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2jy6 s ASP 21 N -1.39 6.85 0.39 4.04 1.01 0.45 -4.84 116.67 123.19 2jy6 s ASP 21 Ca 0.32 1.95 -0.14 0.00 0.71 0.00 0.00 52.55 55.39 2jy6 s ASP 21 Cb 0.18 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.45 2jy6 s ASP 21 CO 0.25 -0.42 0.80 0.42 0.21 0.00 0.00 175.17 176.43 2jy6 s THR 22 N -1.75 4.68 0.21 -1.27 -4.23 -1.26 -1.26 115.64 110.76 2jy6 s THR 22 Ca 0.58 0.89 -0.09 0.00 -1.18 0.00 0.00 61.69 61.89 2jy6 s THR 22 Cb -0.19 -3.68 0.15 0.00 1.34 0.00 0.00 72.50 70.12 2jy6 s THR 22 CO 0.24 -0.41 1.81 0.40 -0.54 0.00 0.00 174.62 176.12 2jy6 h ILE 23 N 1.44 1.24 -0.53 2.99 1.08 -0.97 -1.81 117.51 120.94 2jy6 h ILE 23 Ca -0.47 -0.64 -0.08 0.00 -0.39 0.00 0.00 64.86 63.27 2jy6 h ILE 23 Cb 1.18 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 2jy6 h ILE 23 CO 0.64 0.28 0.00 -0.08 -0.69 0.00 0.00 178.15 178.30 2jy6 h GLU 24 N 1.06 0.89 -0.83 2.37 4.81 -1.79 -1.84 114.58 119.26 2jy6 h GLU 24 Ca 0.26 -0.25 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2jy6 h GLU 24 Cb 0.09 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 2jy6 h GLU 24 CO -0.04 0.88 0.55 -0.97 -0.73 0.00 0.00 179.01 178.71 2jy6 h ASN 25 N 0.83 0.95 -0.34 1.04 -1.24 -1.74 -1.55 115.58 113.53 2jy6 h ASN 25 Ca 0.16 -0.03 -0.06 0.00 0.71 0.00 0.00 56.30 57.08 2jy6 h ASN 25 Cb 0.49 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.29 2jy6 h ASN 25 CO 0.02 0.69 -0.00 0.58 -1.29 0.00 0.00 177.43 177.43 2jy6 h VAL 26 N 1.13 1.26 -0.93 2.57 2.07 -0.85 -2.65 116.25 118.85 2jy6 h VAL 26 Ca 0.30 -0.98 0.14 0.00 0.82 0.00 0.00 66.70 66.99 2jy6 h VAL 26 Cb -0.13 1.22 -0.08 0.00 -1.52 0.00 0.00 31.29 30.78 2jy6 h VAL 26 CO -0.07 0.32 0.59 0.11 0.02 0.00 0.00 177.57 178.55 2jy6 h LYS 27 N 0.42 0.75 -0.58 1.57 1.57 -0.54 0.15 116.57 119.90 2jy6 h LYS 27 Ca 0.10 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 2jy6 h LYS 27 Cb 0.46 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2jy6 h LYS 27 CO 0.02 0.50 0.09 0.00 -0.57 0.00 0.00 179.45 179.48 2jy6 h ALA 28 N 1.59 0.78 -0.51 3.86 0.00 -1.02 -0.10 119.26 123.85 2jy6 h ALA 28 Ca 0.47 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2jy6 h ALA 28 Cb 0.69 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2jy6 h ALA 28 CO -0.24 0.53 0.31 0.87 0.00 0.00 0.00 179.25 180.73 2jy6 h LYS 29 N 0.87 0.69 -0.66 0.00 1.57 -0.72 -0.12 116.57 118.21 2jy6 h LYS 29 Ca 0.18 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2jy6 h LYS 29 Cb 0.43 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 2jy6 h LYS 29 CO 0.01 0.50 0.32 0.82 -0.57 0.00 0.00 179.45 180.54 2jy6 h ILE 30 N 0.69 1.21 -0.33 1.86 2.04 -0.74 0.59 117.51 122.83 2jy6 h ILE 30 Ca 0.18 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 2jy6 h ILE 30 Cb -0.02 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 2jy6 h ILE 30 CO -0.04 0.25 -0.06 -0.61 0.00 0.00 0.00 178.15 177.70 2jy6 h GLN 31 N 0.94 0.54 -0.12 2.37 4.15 -0.29 0.45 115.11 123.15 2jy6 h GLN 31 Ca 0.23 -0.14 -0.05 0.00 0.77 0.00 0.00 58.65 59.46 2jy6 h GLN 31 Cb 0.09 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 2jy6 h GLN 31 CO -0.03 0.61 -0.12 0.22 -1.93 0.00 0.00 178.83 177.58 2jy6 h ASP 32 N 0.51 0.32 0.36 -0.69 3.58 -0.03 -1.26 116.42 119.20 2jy6 h ASP 32 Ca 0.10 -0.49 -0.02 0.00 0.42 0.00 0.00 57.03 57.05 2jy6 h ASP 32 Cb 0.42 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2jy6 h ASP 32 CO 0.02 0.74 -0.17 0.11 -2.88 0.00 0.00 179.24 177.06 2jy6 h LYS 33 N -0.10 -0.46 0.00 0.28 1.57 -0.71 -3.41 116.57 113.75 2jy6 h LYS 33 Ca 0.02 0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 2jy6 h LYS 33 Cb 0.65 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 2jy6 h LYS 33 CO 0.03 -0.24 -0.74 0.93 -0.57 0.00 0.00 179.45 178.86 2jy6 h GLU 34 N -1.09 0.00 0.00 3.15 4.39 -0.26 -3.49 114.58 117.28 2jy6 h GLU 34 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2jy6 h GLU 34 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2jy6 h GLU 34 CO 0.08 0.77 0.00 0.41 -1.16 0.00 0.00 179.01 179.11 2jy6 n GLY 35 N 1.53 1.57 3.73 -3.84 0.00 -0.47 -5.01 105.19 102.70 2jy6 n GLY 35 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 5.22 0.24 -0.61 1.01 -1.26 -4.97 121.20 118.83 2jy6 s ILE 36 Ca 0.00 0.80 -0.31 0.00 0.00 0.00 0.00 60.65 61.14 2jy6 s ILE 36 Cb 0.00 -3.74 -0.11 0.00 0.01 0.00 0.00 42.46 38.61 2jy6 s ILE 36 CO 0.00 0.36 1.60 -2.84 0.00 0.00 0.00 174.94 174.07 2jy6 s PRO 37 N 0.47 4.16 0.61 2.79 0.02 -1.26 -4.09 135.00 137.70 2jy6 s PRO 37 Ca 0.22 2.51 0.28 0.00 0.02 0.00 0.00 61.00 64.04 2jy6 s PRO 37 Cb -0.14 -3.07 1.42 0.00 0.02 0.00 0.00 34.50 32.72 2jy6 s PRO 37 CO 0.08 -0.63 1.82 -1.35 -0.33 0.00 0.00 177.00 176.59 2jy6 h PRO 38 N 5.73 0.00 0.00 5.54 0.11 -1.93 0.22 132.00 141.67 2jy6 h PRO 38 Ca -0.45 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 2jy6 h PRO 38 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2jy6 h PRO 38 CO 0.86 0.00 -0.25 -0.44 -0.21 0.00 0.00 178.00 177.96 2jy6 h ASP 39 N 0.00 0.00 -0.02 -2.05 3.32 -1.98 -2.54 116.42 113.15 2jy6 h ASP 39 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2jy6 h ASP 39 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2jy6 h ASP 39 CO -0.00 0.25 -0.12 0.00 -1.72 0.00 0.00 179.24 177.64 2jy6 n GLN 40 N -3.38 1.95 -3.43 3.56 6.02 0.73 -4.91 117.38 117.93 2jy6 n GLN 40 Ca 0.00 -1.57 -0.37 0.00 -0.01 0.00 0.00 57.00 55.05 2jy6 n GLN 40 Cb 0.46 -1.47 -0.07 0.00 1.02 0.00 0.00 30.24 30.18 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 -2.13 4.24 -0.12 -1.09 -0.21 -0.96 -4.57 119.66 114.82 2jy6 s GLN 41 Ca 0.27 0.22 0.02 0.00 0.02 0.00 0.00 55.36 55.88 2jy6 s GLN 41 Cb 0.20 -3.47 0.01 0.00 1.00 0.00 0.00 33.01 30.75 2jy6 s GLN 41 CO 0.38 0.11 -0.18 1.03 -2.12 0.00 0.00 175.29 174.51 2jy6 s ARG 42 N 0.84 2.56 -0.31 2.91 0.52 -0.94 -4.97 118.95 119.56 2jy6 s ARG 42 Ca 0.20 -0.68 -0.08 0.00 -0.52 0.00 0.00 55.73 54.64 2jy6 s ARG 42 Cb -0.14 -2.12 0.01 0.00 0.52 0.00 0.00 34.95 33.22 2jy6 s ARG 42 CO 0.07 -0.05 0.11 -0.51 0.02 0.00 0.00 175.30 174.94 2jy6 s LEU 43 N 0.93 4.05 -0.13 2.53 1.43 -1.26 -0.25 118.68 125.98 2jy6 s LEU 43 Ca -0.06 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 2jy6 s LEU 43 Cb -0.15 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 2jy6 s LEU 43 CO -0.02 -0.23 -0.14 -0.63 0.23 0.00 0.00 176.35 175.57 2jy6 s ILE 44 N 1.52 3.01 -0.10 -0.59 1.09 0.10 0.41 121.20 126.65 2jy6 s ILE 44 Ca 0.03 -0.68 -0.01 0.00 -1.10 0.00 0.00 60.65 58.89 2jy6 s ILE 44 Cb -0.18 -2.26 0.03 0.00 -1.06 0.00 0.00 42.46 39.00 2jy6 s ILE 44 CO 0.04 0.53 -0.04 0.12 -0.10 0.00 0.00 174.94 175.48 2jy6 s PHE 45 N 0.32 1.16 -0.83 3.97 5.36 0.58 -0.95 117.98 127.59 2jy6 s PHE 45 Ca -0.11 -0.52 0.00 0.00 -0.96 0.00 0.00 56.93 55.34 2jy6 s PHE 45 Cb -0.16 -1.06 0.00 0.00 -0.34 0.00 0.00 43.02 41.46 2jy6 s PHE 45 CO 0.06 -0.44 0.00 0.00 -1.46 0.00 0.00 175.22 173.37 2jy6 n ALA 46 N 5.02 -0.12 0.00 11.12 0.00 -1.26 -1.21 120.51 134.06 2jy6 n ALA 46 Ca -0.10 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2jy6 n ALA 46 Cb 0.50 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.20 0.39 3.65 0.00 0.00 -1.26 -5.07 105.19 102.69 2jy6 n GLY 47 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.80 3.64 -0.06 1.61 1.02 -0.35 -5.08 119.74 119.72 2jy6 s LYS 48 Ca 0.00 -0.36 -0.29 0.00 0.02 0.00 0.00 55.97 55.34 2jy6 s LYS 48 Cb 0.00 -3.06 -0.02 0.00 -0.52 0.00 0.00 37.83 34.22 2jy6 s LYS 48 CO 0.00 0.42 0.94 -1.14 -0.92 0.00 0.00 175.35 174.66 2jy6 s GLN 49 N -0.07 4.48 -0.19 1.68 0.74 -1.26 -0.30 119.66 124.72 2jy6 s GLN 49 Ca 0.06 1.31 -0.29 0.00 0.05 0.00 0.00 55.36 56.48 2jy6 s GLN 49 Cb -0.12 -3.50 0.00 0.00 1.10 0.00 0.00 33.01 30.49 2jy6 s GLN 49 CO 0.01 -0.15 1.02 -0.51 -0.55 0.00 0.00 175.29 175.11 2jy6 s LEU 50 N 1.43 4.15 0.43 3.68 1.43 0.17 -4.97 118.68 124.98 2jy6 s LEU 50 Ca 0.48 1.41 -0.25 0.00 -1.03 0.00 0.00 54.13 54.75 2jy6 s LEU 50 Cb -0.19 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 42.42 2jy6 s LEU 50 CO 0.22 -0.59 1.23 -1.61 0.23 0.00 0.00 176.35 175.83 2jy6 s GLU 51 N 2.81 3.88 0.25 1.70 0.41 -1.26 -4.61 118.70 121.88 2jy6 s GLU 51 Ca 0.45 1.97 -0.05 0.00 -0.41 0.00 0.00 54.97 56.93 2jy6 s GLU 51 Cb -0.16 -2.61 0.31 0.00 -1.78 0.00 0.00 34.13 29.88 2jy6 s GLU 51 CO 0.10 -0.51 1.89 -0.44 -0.49 0.00 0.00 175.26 175.81 2jy6 h ASP 52 N 2.42 0.98 -0.53 -0.19 5.19 -1.95 -2.69 116.42 119.66 2jy6 h ASP 52 Ca -0.49 -0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 55.59 2jy6 h ASP 52 Cb 1.25 -0.22 -0.12 0.00 0.18 0.00 0.00 39.33 40.42 2jy6 h ASP 52 CO 0.62 0.67 0.17 0.61 -3.12 0.00 0.00 179.24 178.19 2jy6 n GLY 53 N -1.35 3.75 3.21 2.75 0.00 -1.26 -3.39 105.19 108.90 2jy6 n GLY 53 Ca 0.12 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.92 1.24 0.41 1.61 1.81 -1.02 -5.05 118.95 117.03 2jy6 s ARG 54 Ca 0.46 -1.66 0.07 0.00 -1.72 0.00 0.00 55.73 52.87 2jy6 s ARG 54 Cb 0.28 0.25 -0.08 0.00 -0.45 0.00 0.00 34.95 34.96 2jy6 s ARG 54 CO -0.08 -0.40 0.01 0.95 -0.68 0.00 0.00 175.30 175.10 2jy6 s THR 55 N -4.10 1.92 -1.41 0.02 -4.23 -1.26 -0.52 115.64 106.06 2jy6 s THR 55 Ca 0.39 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.09 2jy6 s THR 55 Cb 0.07 -2.96 0.32 0.00 1.34 0.00 0.00 72.50 71.27 2jy6 s THR 55 CO 0.13 0.00 1.57 0.18 -0.54 0.00 0.00 174.62 175.96 2jy6 n LEU 56 N -0.96 0.00 0.11 4.79 4.77 -0.39 -2.08 117.00 123.24 2jy6 n LEU 56 Ca -0.05 0.30 0.12 0.00 -0.03 0.00 0.00 56.01 56.34 2jy6 n LEU 56 Cb 0.67 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 41.51 2jy6 n LEU 56 CO 0.48 -0.11 0.17 0.77 -1.33 0.00 0.00 177.39 177.36 2jy6 h SER 57 N 0.00 0.00 0.03 -1.43 4.64 -1.59 0.12 113.55 115.31 2jy6 h SER 57 Ca 0.00 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2jy6 h SER 57 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2jy6 h SER 57 CO 0.00 0.02 -0.01 0.44 -0.87 0.00 0.00 176.83 176.41 2jy6 h ASP 58 N 0.00 -0.03 -0.15 4.97 3.32 -1.73 -3.16 116.42 119.63 2jy6 h ASP 58 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2jy6 h ASP 58 Cb 0.95 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.51 2jy6 h ASP 58 CO 0.00 0.50 0.00 -1.22 -1.72 0.00 0.00 179.24 176.80 2jy6 n TYR 59 N -4.85 0.19 -2.88 4.55 4.02 -1.26 -4.98 117.16 111.95 2jy6 n TYR 59 Ca -0.09 -0.09 -0.08 0.00 -0.01 0.00 0.00 57.90 57.63 2jy6 n TYR 59 Cb 0.27 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.60 2jy6 n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2jy6 n ASN 60 N 0.40 -7.74 -4.67 7.72 5.15 -1.14 -4.97 115.26 110.00 2jy6 n ASN 60 Ca 0.17 0.77 -0.38 0.00 -0.60 0.00 0.00 54.58 54.54 2jy6 n ASN 60 Cb 0.36 -4.92 -0.08 0.00 -0.53 0.00 0.00 39.78 34.61 2jy6 n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2jy6 s ILE 61 N -2.13 5.25 0.64 -1.44 -1.09 0.02 -5.02 121.20 117.42 2jy6 s ILE 61 Ca 0.17 0.56 -0.03 0.00 -2.23 0.00 0.00 60.65 59.12 2jy6 s ILE 61 Cb -0.04 -3.66 0.13 0.00 -1.58 0.00 0.00 42.46 37.31 2jy6 s ILE 61 CO 0.75 0.28 0.87 0.00 -1.23 0.00 0.00 174.94 175.62 2jy6 n GLN 62 N 4.37 -0.20 -2.81 2.79 3.00 -1.26 -4.90 117.38 118.37 2jy6 n GLN 62 Ca -0.10 -2.11 -0.38 0.00 -0.01 0.00 0.00 57.00 54.40 2jy6 n GLN 62 Cb 0.51 -0.66 -0.06 0.00 0.00 0.00 0.00 30.24 30.03 2jy6 n GLN 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2jy6 s LYS 63 N -4.77 4.65 -1.41 -1.09 2.36 -1.26 -3.69 119.74 114.53 2jy6 s LYS 63 Ca 0.56 1.34 -0.05 0.00 -2.55 0.00 0.00 55.97 55.26 2jy6 s LYS 63 Cb -0.03 -3.01 0.01 0.00 -1.05 0.00 0.00 37.83 33.75 2jy6 s LYS 63 CO 0.37 0.40 0.68 0.39 1.55 0.00 0.00 175.35 178.74 2jy6 n GLU 64 N 0.98 -5.14 -2.44 4.03 1.02 0.15 -4.98 120.64 114.25 2jy6 n GLU 64 Ca -0.00 0.83 -0.32 0.00 -0.02 0.00 0.00 57.16 57.65 2jy6 n GLU 64 Cb 0.49 -5.58 -0.04 0.00 -0.02 0.00 0.00 31.44 26.29 2jy6 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2jy6 s SER 65 N -2.85 6.63 -0.86 1.62 0.01 -1.24 -4.69 113.70 112.31 2jy6 s SER 65 Ca 0.34 1.60 -0.15 0.00 1.31 0.00 0.00 55.95 59.04 2jy6 s SER 65 Cb -0.15 -2.52 0.19 0.00 0.21 0.00 0.00 66.02 63.76 2jy6 s SER 65 CO 0.41 -0.58 0.88 -0.89 0.41 0.00 0.00 173.24 173.47 2jy6 s THR 66 N -2.55 5.34 -0.03 1.44 2.01 -1.26 -1.09 115.64 119.50 2jy6 s THR 66 Ca 0.60 -2.19 -0.26 0.00 0.31 0.00 0.00 61.69 60.15 2jy6 s THR 66 Cb -0.10 -4.57 -0.04 0.00 0.01 0.00 0.00 72.50 67.81 2jy6 s THR 66 CO 0.29 -1.18 0.81 -0.76 -0.69 0.00 0.00 174.62 173.09 2jy6 s LEU 67 N 0.95 4.35 -0.30 4.42 1.02 0.82 -4.77 118.68 125.18 2jy6 s LEU 67 Ca 0.23 1.39 -0.09 0.00 0.02 0.00 0.00 54.13 55.67 2jy6 s LEU 67 Cb -0.08 -3.28 -0.01 0.00 0.02 0.00 0.00 46.19 42.84 2jy6 s LEU 67 CO -0.09 -0.15 0.14 -1.00 0.02 0.00 0.00 176.35 175.26 2jy6 s HIS 68 N 0.76 3.16 -0.40 0.29 3.76 -0.13 0.38 115.29 123.12 2jy6 s HIS 68 Ca 0.43 -0.55 -0.18 0.00 -0.15 0.00 0.00 55.06 54.60 2jy6 s HIS 68 Cb -0.19 -2.33 0.01 0.00 1.11 0.00 0.00 32.58 31.18 2jy6 s HIS 68 CO 0.22 -0.44 0.52 -1.17 -0.85 0.00 0.00 174.74 173.02 2jy6 s LEU 69 N 1.61 4.55 -0.07 0.89 2.96 -0.54 0.02 118.68 128.11 2jy6 s LEU 69 Ca 0.05 -0.32 -0.05 0.00 -0.22 0.00 0.00 54.13 53.58 2jy6 s LEU 69 Cb -0.17 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 2jy6 s LEU 69 CO 0.06 -0.58 0.16 -0.69 -1.32 0.00 0.00 176.35 173.97 2jy6 s VAL 70 N 2.41 5.45 -0.15 1.68 1.01 0.65 -2.56 120.40 128.90 2jy6 s VAL 70 Ca 0.17 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 2jy6 s VAL 70 Cb -0.16 -3.45 0.04 0.00 0.00 0.00 0.00 36.38 32.81 2jy6 s VAL 70 CO 0.15 0.49 -0.04 -0.76 0.00 0.00 0.00 175.10 174.94 2jy6 s LEU 71 N -1.43 1.35 -0.35 3.92 1.43 -1.26 -2.21 118.68 120.13 2jy6 s LEU 71 Ca 0.20 -0.53 -0.26 0.00 -1.03 0.00 0.00 54.13 52.51 2jy6 s LEU 71 Cb -0.12 -0.80 0.01 0.00 0.03 0.00 0.00 46.19 45.31 2jy6 s LEU 71 CO 0.10 -0.19 0.91 -0.60 0.23 0.00 0.00 176.35 176.81 2jy6 s ARG 72 N 1.72 3.88 0.13 1.70 3.00 -1.26 -5.02 118.95 123.09 2jy6 s ARG 72 Ca 0.02 0.62 -0.30 0.00 -1.00 0.00 0.00 55.73 55.07 2jy6 s ARG 72 Cb -0.14 -3.79 -0.06 0.00 0.00 0.00 0.00 34.95 30.96 2jy6 s ARG 72 CO -0.07 -0.90 0.94 -0.51 0.00 0.00 0.00 175.30 174.76 2jy6 s LEU 73 N 3.40 4.52 -0.07 -0.88 1.43 -1.26 -4.96 118.68 120.87 2jy6 s LEU 73 Ca 0.38 1.79 0.03 0.00 -1.03 0.00 0.00 54.13 55.30 2jy6 s LEU 73 Cb -0.12 -3.56 -0.25 0.00 0.03 0.00 0.00 46.19 42.29 2jy6 s LEU 73 CO 0.17 -0.02 0.57 0.03 0.23 0.00 0.00 176.35 177.34 2jy6 h ARG 74 N 5.33 0.13 0.00 1.70 2.47 -2.05 -3.47 114.38 118.49 2jy6 h ARG 74 Ca -0.43 -0.23 0.00 0.00 -1.26 0.00 0.00 59.98 58.06 2jy6 h ARG 74 Cb 1.21 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.61 2jy6 h ARG 74 CO 0.71 0.85 0.00 0.41 0.56 0.00 0.00 179.97 182.50 2jy6 n GLY 75 N 1.74 1.72 0.00 0.04 0.00 -1.26 -5.38 105.19 102.06 2jy6 n GLY 75 Ca -0.23 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.07 2jy6 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93