#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jf5 s GLN 2 N 0.00 3.17 0.28 2.12 -0.21 -1.26 -0.21 119.66 123.55 2jf5 s GLN 2 Ca 0.00 -0.36 0.06 0.00 0.02 0.00 0.00 55.36 55.08 2jf5 s GLN 2 Cb 0.00 -2.89 -0.06 0.00 1.00 0.00 0.00 33.01 31.06 2jf5 s GLN 2 CO 0.00 0.66 -0.05 0.96 -2.12 0.00 0.00 175.29 174.74 2jf5 s ILE 3 N -0.74 1.56 0.11 1.08 -4.36 -0.55 -0.69 121.20 117.60 2jf5 s ILE 3 Ca 0.12 -2.11 0.08 0.00 -0.26 0.00 0.00 60.65 58.48 2jf5 s ILE 3 Cb -0.12 -2.46 -0.04 0.00 1.25 0.00 0.00 42.46 41.10 2jf5 s ILE 3 CO 0.02 -0.29 -0.12 -0.36 0.24 0.00 0.00 174.94 174.43 2jf5 s PHE 4 N -3.07 2.68 -0.11 1.37 0.08 0.31 -0.41 117.98 118.83 2jf5 s PHE 4 Ca 0.30 -0.19 -0.01 0.00 0.12 0.00 0.00 56.93 57.15 2jf5 s PHE 4 Cb 0.04 -1.41 0.03 0.00 -0.57 0.00 0.00 43.02 41.11 2jf5 s PHE 4 CO 0.12 0.41 -0.06 0.08 -0.10 0.00 0.00 175.22 175.67 2jf5 s VAL 5 N -1.19 0.90 -0.41 -0.44 1.01 0.13 -0.58 120.40 119.81 2jf5 s VAL 5 Ca 0.20 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 2jf5 s VAL 5 Cb -0.11 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.34 2jf5 s VAL 5 CO 0.13 0.34 1.31 -0.75 0.00 0.00 0.00 175.10 176.13 2jf5 s LYS 6 N 1.76 3.68 0.50 2.72 2.47 0.33 -0.97 119.74 130.24 2jf5 s LYS 6 Ca 0.05 0.89 -0.04 0.00 -1.56 0.00 0.00 55.97 55.31 2jf5 s LYS 6 Cb -0.13 -3.96 0.11 0.00 -1.46 0.00 0.00 37.83 32.39 2jf5 s LYS 6 CO -0.08 -1.43 0.69 0.25 0.16 0.00 0.00 175.35 174.94 2jf5 n THR 7 N 6.85 0.00 0.31 3.43 -2.24 0.07 -1.14 114.28 121.55 2jf5 n THR 7 Ca 0.15 -0.84 0.18 0.00 -2.27 0.00 0.00 64.05 61.27 2jf5 n THR 7 Cb 0.48 -1.30 0.99 0.00 -2.10 0.00 0.00 70.33 68.40 2jf5 n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2jf5 h LEU 8 N 0.00 0.00 0.00 3.22 3.38 -1.88 -2.02 115.31 118.01 2jf5 h LEU 8 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2jf5 h LEU 8 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2jf5 h LEU 8 CO 0.21 0.02 -0.45 0.35 0.09 0.00 0.00 178.44 178.66 2jf5 n THR 9 N -3.50 0.37 -0.05 0.22 -2.24 -1.26 -4.92 114.28 102.90 2jf5 n THR 9 Ca -0.03 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2jf5 n THR 9 Cb 0.11 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 2jf5 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jf5 n GLY 10 N 1.35 0.52 3.84 3.38 0.00 -0.76 -5.07 105.19 108.44 2jf5 n GLY 10 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2jf5 n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jf5 s LYS 11 N -0.84 2.05 -0.11 1.61 1.02 -1.26 -4.71 119.74 117.50 2jf5 s LYS 11 Ca 0.00 0.41 0.03 0.00 0.02 0.00 0.00 55.97 56.43 2jf5 s LYS 11 Cb 0.00 -1.93 -0.00 0.00 -0.52 0.00 0.00 37.83 35.37 2jf5 s LYS 11 CO 0.00 -1.60 -0.21 0.99 -0.92 0.00 0.00 175.35 173.61 2jf5 s THR 12 N -3.32 2.29 0.30 2.17 2.01 -1.26 -0.75 115.64 117.08 2jf5 s THR 12 Ca 0.61 -0.94 0.09 0.00 0.31 0.00 0.00 61.69 61.77 2jf5 s THR 12 Cb -0.13 -1.90 -0.05 0.00 0.01 0.00 0.00 72.50 70.44 2jf5 s THR 12 CO 0.52 0.55 0.01 0.27 -0.69 0.00 0.00 174.62 175.28 2jf5 s ILE 13 N 0.36 3.07 -0.11 1.82 -4.36 -0.14 -4.95 121.20 116.89 2jf5 s ILE 13 Ca -0.17 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 58.30 2jf5 s ILE 13 Cb -0.17 -2.81 -0.01 0.00 1.25 0.00 0.00 42.46 40.71 2jf5 s ILE 13 CO 0.08 -0.30 -0.15 -0.89 0.24 0.00 0.00 174.94 173.92 2jf5 s THR 14 N -2.41 2.89 -0.03 8.37 2.01 -1.26 -0.69 115.64 124.51 2jf5 s THR 14 Ca 0.33 -0.73 0.04 0.00 0.31 0.00 0.00 61.69 61.64 2jf5 s THR 14 Cb -0.04 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 2jf5 s THR 14 CO 0.20 0.54 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.77 2jf5 s LEU 15 N 0.17 2.80 -0.25 4.42 1.43 0.45 -4.98 118.68 122.72 2jf5 s LEU 15 Ca -0.09 -0.21 -0.21 0.00 -1.03 0.00 0.00 54.13 52.60 2jf5 s LEU 15 Cb -0.15 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 2jf5 s LEU 15 CO 0.05 0.33 0.68 -0.70 0.23 0.00 0.00 176.35 176.94 2jf5 s GLU 16 N -0.90 4.12 0.26 1.70 2.56 -1.26 -1.48 118.70 123.70 2jf5 s GLU 16 Ca 0.13 0.64 0.01 0.00 0.00 0.00 0.00 54.97 55.75 2jf5 s GLU 16 Cb -0.11 -3.65 -0.05 0.00 2.00 0.00 0.00 34.13 32.32 2jf5 s GLU 16 CO 0.02 -0.44 0.09 0.14 -0.56 0.00 0.00 175.26 174.51 2jf5 s VAL 17 N 2.58 0.57 0.15 3.70 -7.23 0.71 -5.00 120.40 115.89 2jf5 s VAL 17 Ca 0.28 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.55 2jf5 s VAL 17 Cb -0.15 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 2jf5 s VAL 17 CO 0.08 -0.02 -0.23 -1.83 -0.31 0.00 0.00 175.10 172.80 2jf5 s GLU 18 N -4.03 1.36 0.57 4.82 -1.05 -1.26 -3.03 118.70 116.08 2jf5 s GLU 18 Ca 0.37 -1.39 0.28 0.00 -0.15 0.00 0.00 54.97 54.08 2jf5 s GLU 18 Cb 0.08 -1.67 1.50 0.00 -0.44 0.00 0.00 34.13 33.60 2jf5 s GLU 18 CO 0.13 0.37 1.98 -1.00 0.95 0.00 0.00 175.26 177.70 2jf5 h PRO 19 N 3.56 0.00 -0.27 -4.83 0.13 -1.96 -1.07 132.00 127.55 2jf5 h PRO 19 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2jf5 h PRO 19 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2jf5 h PRO 19 CO 0.45 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.65 2jf5 n SER 20 N -3.99 3.26 -4.69 1.44 7.64 -1.26 -1.11 113.62 114.91 2jf5 n SER 20 Ca 0.07 -1.98 -0.43 0.00 1.01 0.00 0.00 58.87 57.54 2jf5 n SER 20 Cb 0.57 -0.17 -0.01 0.00 -1.01 0.00 0.00 64.21 63.58 2jf5 n SER 20 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jf5 n ASP 21 N 1.41 2.74 -4.83 6.43 8.00 -0.41 -4.68 116.55 125.20 2jf5 n ASP 21 Ca 0.18 1.18 -0.31 0.00 0.71 0.00 0.00 54.79 56.55 2jf5 n ASP 21 Cb 0.60 -1.46 0.05 0.00 -0.02 0.00 0.00 41.12 40.29 2jf5 n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2jf5 s THR 22 N -0.70 3.82 0.35 -3.53 -4.23 -1.26 -1.50 115.64 108.58 2jf5 s THR 22 Ca 0.60 0.59 0.05 0.00 -1.18 0.00 0.00 61.69 61.75 2jf5 s THR 22 Cb -0.60 -3.42 0.29 0.00 1.34 0.00 0.00 72.50 70.12 2jf5 s THR 22 CO 0.57 -0.77 1.95 0.40 -0.54 0.00 0.00 174.62 176.23 2jf5 h ILE 23 N -0.74 1.02 -0.65 2.99 1.08 -1.16 -2.11 117.51 117.94 2jf5 h ILE 23 Ca -0.45 -0.27 0.02 0.00 -0.39 0.00 0.00 64.86 63.78 2jf5 h ILE 23 Cb 1.23 0.16 -0.04 0.00 -3.07 0.00 0.00 36.82 35.10 2jf5 h ILE 23 CO 0.59 0.14 0.41 -0.33 -0.69 0.00 0.00 178.15 178.28 2jf5 h GLU 24 N 0.79 0.79 -0.42 2.37 5.08 -1.75 -0.26 114.58 121.17 2jf5 h GLU 24 Ca 0.33 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 2jf5 h GLU 24 Cb 0.28 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2jf5 h GLU 24 CO -0.11 0.52 0.24 -0.91 -1.00 0.00 0.00 179.01 177.75 2jf5 h ASN 25 N 0.81 0.52 -0.70 1.42 2.35 -1.77 -0.84 115.58 117.37 2jf5 h ASN 25 Ca 0.26 -0.07 0.02 0.00 -0.55 0.00 0.00 56.30 55.95 2jf5 h ASN 25 Cb -0.01 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.19 2jf5 h ASN 25 CO -0.09 0.44 0.45 0.58 -1.65 0.00 0.00 177.43 177.16 2jf5 h VAL 26 N 0.55 1.14 -0.92 2.81 2.07 -1.10 -1.69 116.25 119.12 2jf5 h VAL 26 Ca 0.15 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2jf5 h VAL 26 Cb 0.03 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 29.91 2jf5 h VAL 26 CO -0.03 0.16 0.55 0.11 0.02 0.00 0.00 177.57 178.39 2jf5 h LYS 27 N 0.90 1.25 -0.67 1.57 1.57 -0.52 -0.56 116.57 120.12 2jf5 h LYS 27 Ca 0.27 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 2jf5 h LYS 27 Cb -0.05 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 31.97 2jf5 h LYS 27 CO -0.08 0.88 0.31 0.00 -0.57 0.00 0.00 179.45 179.99 2jf5 h ALA 28 N 1.30 1.29 -0.38 3.86 0.00 -0.68 -1.21 119.26 123.44 2jf5 h ALA 28 Ca 0.33 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 2jf5 h ALA 28 Cb -0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2jf5 h ALA 28 CO -0.06 0.54 -0.28 0.87 0.00 0.00 0.00 179.25 180.32 2jf5 h LYS 29 N 0.94 0.82 -0.38 0.00 1.57 -0.36 -2.94 116.57 116.22 2jf5 h LYS 29 Ca 0.23 -0.37 -0.07 0.00 -1.87 0.00 0.00 60.65 58.57 2jf5 h LYS 29 Cb 0.12 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2jf5 h LYS 29 CO -0.03 1.00 -0.05 0.82 -0.57 0.00 0.00 179.45 180.63 2jf5 h ILE 30 N 0.70 1.23 0.00 1.86 2.04 -0.58 -2.86 117.51 119.90 2jf5 h ILE 30 Ca 0.08 -0.97 -0.10 0.00 1.00 0.00 0.00 64.86 64.88 2jf5 h ILE 30 Cb 0.82 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 2jf5 h ILE 30 CO 0.07 0.33 -0.48 0.06 0.00 0.00 0.00 178.15 178.13 2jf5 h GLN 31 N 0.59 0.00 -0.58 2.37 3.07 -1.10 0.16 115.11 119.62 2jf5 h GLN 31 Ca 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.82 2jf5 h GLN 31 Cb 0.44 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.98 2jf5 h GLN 31 CO 0.02 0.48 0.23 -0.44 0.09 0.00 0.00 178.83 179.21 2jf5 h ASP 32 N 0.00 0.80 0.32 0.06 5.19 -1.34 -0.23 116.42 121.22 2jf5 h ASP 32 Ca -0.00 -0.17 -0.33 0.00 -0.62 0.00 0.00 57.03 55.90 2jf5 h ASP 32 Cb 0.88 -0.21 0.01 0.00 0.18 0.00 0.00 39.33 40.19 2jf5 h ASP 32 CO 0.06 0.75 -1.60 0.11 -3.12 0.00 0.00 179.24 175.44 2jf5 h LYS 33 N 0.79 0.36 0.00 3.56 1.57 -1.47 -3.42 116.57 117.97 2jf5 h LYS 33 Ca 0.19 -0.62 -0.07 0.00 -1.87 0.00 0.00 60.65 58.28 2jf5 h LYS 33 Cb 0.21 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2jf5 h LYS 33 CO -0.02 1.26 -1.84 0.39 -0.57 0.00 0.00 179.45 178.68 2jf5 n GLU 34 N -3.56 0.73 -1.18 3.15 -0.58 0.03 -5.01 120.64 114.21 2jf5 n GLU 34 Ca -0.20 -0.12 -0.06 0.00 -0.42 0.00 0.00 57.16 56.37 2jf5 n GLU 34 Cb 1.07 -1.40 -0.02 0.00 -0.57 0.00 0.00 31.44 30.51 2jf5 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jf5 n GLY 35 N 1.66 0.82 3.59 0.62 0.00 -0.10 -5.04 105.19 106.75 2jf5 n GLY 35 Ca -0.08 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.75 2jf5 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jf5 s ILE 36 N -2.22 5.14 0.61 -0.61 1.09 -1.26 -5.05 121.20 118.90 2jf5 s ILE 36 Ca 0.00 0.48 -0.19 0.00 -1.10 0.00 0.00 60.65 59.84 2jf5 s ILE 36 Cb 0.00 -3.77 -0.03 0.00 -1.06 0.00 0.00 42.46 37.61 2jf5 s ILE 36 CO 0.00 0.06 1.30 -2.84 -0.10 0.00 0.00 174.94 173.36 2jf5 s PRO 37 N 2.13 2.78 0.35 2.79 0.02 -1.26 -4.07 135.00 137.74 2jf5 s PRO 37 Ca 0.15 2.09 0.05 0.00 0.02 0.00 0.00 61.00 63.31 2jf5 s PRO 37 Cb -0.16 -1.98 0.66 0.00 0.02 0.00 0.00 34.50 33.04 2jf5 s PRO 37 CO 0.11 -1.43 1.92 -1.35 -0.33 0.00 0.00 177.00 175.91 2jf5 h PRO 38 N 0.86 0.55 0.00 5.54 0.11 -1.95 -1.01 132.00 136.10 2jf5 h PRO 38 Ca -0.51 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 65.50 2jf5 h PRO 38 Cb 1.32 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2jf5 h PRO 38 CO 0.55 0.51 -0.04 0.22 -0.21 0.00 0.00 178.00 179.03 2jf5 h ASP 39 N 0.54 0.00 -0.47 -2.05 3.58 -1.98 -1.60 116.42 114.44 2jf5 h ASP 39 Ca 0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2jf5 h ASP 39 Cb 0.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2jf5 h ASP 39 CO -0.00 0.04 0.00 0.00 -2.88 0.00 0.00 179.24 176.40 2jf5 n GLN 40 N -3.32 2.52 -3.80 0.28 6.02 -0.40 -4.86 117.38 113.82 2jf5 n GLN 40 Ca -0.02 -2.32 -0.36 0.00 -0.01 0.00 0.00 57.00 54.29 2jf5 n GLN 40 Cb 0.18 -1.52 -0.07 0.00 1.02 0.00 0.00 30.24 29.84 2jf5 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2jf5 s GLN 41 N -1.39 3.81 -0.15 -1.09 -0.21 -0.60 -1.04 119.66 118.99 2jf5 s GLN 41 Ca 0.41 -0.17 0.01 0.00 0.02 0.00 0.00 55.36 55.63 2jf5 s GLN 41 Cb 0.23 -3.30 -0.00 0.00 1.00 0.00 0.00 33.01 30.94 2jf5 s GLN 41 CO 0.32 0.55 -0.16 0.50 -2.12 0.00 0.00 175.29 174.38 2jf5 s ARG 42 N -0.36 3.22 -0.15 2.91 3.52 0.13 -4.76 118.95 123.46 2jf5 s ARG 42 Ca 0.12 -0.76 -0.05 0.00 -0.13 0.00 0.00 55.73 54.91 2jf5 s ARG 42 Cb -0.12 -2.60 -0.03 0.00 -1.56 0.00 0.00 34.95 30.64 2jf5 s ARG 42 CO 0.01 0.05 0.02 -0.51 -0.81 0.00 0.00 175.30 174.06 2jf5 s LEU 43 N 0.73 3.58 -0.08 -0.88 1.43 -1.26 -1.17 118.68 121.03 2jf5 s LEU 43 Ca -0.07 0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.10 2jf5 s LEU 43 Cb -0.16 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.19 2jf5 s LEU 43 CO 0.01 0.22 -0.21 -0.63 0.23 0.00 0.00 176.35 175.97 2jf5 s ILE 44 N 0.09 1.79 -0.04 -0.59 -1.09 -0.44 -0.72 121.20 120.21 2jf5 s ILE 44 Ca 0.03 -0.87 0.01 0.00 -2.23 0.00 0.00 60.65 57.58 2jf5 s ILE 44 Cb -0.13 -1.56 0.02 0.00 -1.58 0.00 0.00 42.46 39.22 2jf5 s ILE 44 CO 0.02 0.50 -0.03 0.12 -1.23 0.00 0.00 174.94 174.32 2jf5 s PHE 45 N 0.35 0.60 -1.54 3.97 5.36 0.34 -0.43 117.98 126.63 2jf5 s PHE 45 Ca -0.16 -0.13 -0.09 0.00 -0.96 0.00 0.00 56.93 55.59 2jf5 s PHE 45 Cb -0.17 -0.56 0.07 0.00 -0.34 0.00 0.00 43.02 42.02 2jf5 s PHE 45 CO 0.07 -0.16 0.64 0.00 -1.46 0.00 0.00 175.22 174.30 2jf5 n ALA 46 N 4.00 -1.62 0.00 11.12 0.00 -1.26 -0.80 120.51 131.94 2jf5 n ALA 46 Ca -0.26 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2jf5 n ALA 46 Cb 0.51 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 17.31 2jf5 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jf5 n GLY 47 N -1.71 2.68 3.84 0.00 0.00 -1.26 -5.00 105.19 103.74 2jf5 n GLY 47 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 2jf5 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jf5 s LYS 48 N 0.00 3.92 0.07 1.61 1.02 0.02 -5.04 119.74 121.34 2jf5 s LYS 48 Ca 0.00 0.41 -0.30 0.00 0.02 0.00 0.00 55.97 56.10 2jf5 s LYS 48 Cb 0.00 -3.13 -0.05 0.00 -0.52 0.00 0.00 37.83 34.13 2jf5 s LYS 48 CO 0.00 0.63 1.09 -1.14 -0.92 0.00 0.00 175.35 175.01 2jf5 s GLN 49 N -1.39 4.53 -0.06 1.68 0.74 -1.26 -0.50 119.66 123.40 2jf5 s GLN 49 Ca 0.28 1.62 -0.14 0.00 0.05 0.00 0.00 55.36 57.17 2jf5 s GLN 49 Cb -0.16 -3.37 -0.05 0.00 1.10 0.00 0.00 33.01 30.52 2jf5 s GLN 49 CO 0.16 -0.09 0.36 -0.51 -0.55 0.00 0.00 175.29 174.67 2jf5 s LEU 50 N 0.69 4.40 -0.08 3.68 1.43 0.10 -4.96 118.68 123.94 2jf5 s LEU 50 Ca 0.54 0.81 -0.05 0.00 -1.03 0.00 0.00 54.13 54.39 2jf5 s LEU 50 Cb -0.26 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 2jf5 s LEU 50 CO 0.30 0.26 0.16 -1.61 0.23 0.00 0.00 176.35 175.68 2jf5 s GLU 51 N -0.61 3.44 0.19 1.70 0.41 -1.26 -4.68 118.70 117.89 2jf5 s GLU 51 Ca 0.22 -0.20 -0.14 0.00 -0.41 0.00 0.00 54.97 54.44 2jf5 s GLU 51 Cb -0.15 -3.16 0.19 0.00 -1.78 0.00 0.00 34.13 29.23 2jf5 s GLU 51 CO 0.10 0.74 1.66 -0.44 -0.49 0.00 0.00 175.26 176.84 2jf5 h ASP 52 N 4.57 -0.36 -0.03 -0.19 3.32 -1.98 -1.36 116.42 120.40 2jf5 h ASP 52 Ca -0.53 0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2jf5 h ASP 52 Cb 1.21 0.27 0.00 0.00 0.22 0.00 0.00 39.33 41.04 2jf5 h ASP 52 CO 0.62 -0.13 0.00 0.61 -1.72 0.00 0.00 179.24 178.62 2jf5 n GLY 53 N -1.35 -0.52 3.93 2.75 0.00 -1.26 -2.31 105.19 106.44 2jf5 n GLY 53 Ca 0.06 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 2jf5 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jf5 s ARG 54 N -1.97 3.28 0.30 1.61 0.52 -0.51 -4.91 118.95 117.27 2jf5 s ARG 54 Ca 0.40 -0.22 0.07 0.00 -0.52 0.00 0.00 55.73 55.45 2jf5 s ARG 54 Cb 0.20 -2.51 -0.02 0.00 0.52 0.00 0.00 34.95 33.13 2jf5 s ARG 54 CO 0.32 -0.19 0.34 0.95 0.02 0.00 0.00 175.30 176.74 2jf5 s THR 55 N -2.59 4.22 0.17 0.02 -4.23 -1.26 -1.70 115.64 110.27 2jf5 s THR 55 Ca 0.46 -1.19 -0.15 0.00 -1.18 0.00 0.00 61.69 59.64 2jf5 s THR 55 Cb -0.10 -3.43 0.09 0.00 1.34 0.00 0.00 72.50 70.40 2jf5 s THR 55 CO 0.40 -0.23 1.70 -0.07 -0.54 0.00 0.00 174.62 175.87 2jf5 h LEU 56 N 1.17 -0.15 -1.18 4.79 3.38 -1.35 -2.59 115.31 119.39 2jf5 h LEU 56 Ca -0.47 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2jf5 h LEU 56 Cb 1.25 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 42.13 2jf5 h LEU 56 CO 0.58 -0.04 0.43 0.77 0.09 0.00 0.00 178.44 180.27 2jf5 h SER 57 N 0.13 0.88 -1.01 -0.43 4.64 -1.35 -0.31 113.55 116.09 2jf5 h SER 57 Ca 0.21 -0.05 0.25 0.00 -0.47 0.00 0.00 61.79 61.73 2jf5 h SER 57 Cb 0.30 -0.22 -0.09 0.00 -0.31 0.00 0.00 62.40 62.08 2jf5 h SER 57 CO -0.34 0.68 0.65 0.44 -0.87 0.00 0.00 176.83 177.39 2jf5 h ASP 58 N 1.01 0.44 -0.65 4.97 3.32 -1.76 0.14 116.42 123.89 2jf5 h ASP 58 Ca 0.26 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.38 2jf5 h ASP 58 Cb -0.03 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2jf5 h ASP 58 CO -0.05 0.11 0.00 -1.22 -1.72 0.00 0.00 179.24 176.37 2jf5 n TYR 59 N -4.58 1.01 -4.26 4.55 4.01 -0.21 -4.95 117.16 112.72 2jf5 n TYR 59 Ca 0.24 -0.47 -0.35 0.00 -0.16 0.00 0.00 57.90 57.16 2jf5 n TYR 59 Cb 0.83 -0.05 -0.05 0.00 -0.31 0.00 0.00 39.34 39.75 2jf5 n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2jf5 n ASN 60 N 1.35 -1.62 -4.59 7.72 5.15 0.49 -4.91 115.26 118.86 2jf5 n ASN 60 Ca 0.23 -1.11 -0.43 0.00 -0.60 0.00 0.00 54.58 52.67 2jf5 n ASN 60 Cb 0.62 -2.36 -0.03 0.00 -0.53 0.00 0.00 39.78 37.48 2jf5 n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2jf5 s ILE 61 N -3.61 4.30 0.51 -1.44 1.01 -0.69 -5.01 121.20 116.26 2jf5 s ILE 61 Ca 0.48 1.10 0.06 0.00 0.00 0.00 0.00 60.65 62.29 2jf5 s ILE 61 Cb -0.27 -4.54 0.06 0.00 0.01 0.00 0.00 42.46 37.72 2jf5 s ILE 61 CO 0.95 -0.93 0.51 0.00 0.00 0.00 0.00 174.94 175.47 2jf5 n GLN 62 N 7.59 0.71 -1.77 2.79 6.02 -1.26 -4.53 117.38 126.93 2jf5 n GLN 62 Ca 0.10 -3.01 -0.39 0.00 -0.01 0.00 0.00 57.00 53.70 2jf5 n GLN 62 Cb 0.49 0.12 0.03 0.00 1.02 0.00 0.00 30.24 31.90 2jf5 n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2jf5 s LYS 63 N -4.17 3.37 0.00 -1.09 0.00 -1.26 -2.10 119.74 114.49 2jf5 s LYS 63 Ca 0.38 2.33 0.00 0.00 0.00 0.00 0.00 55.97 58.69 2jf5 s LYS 63 Cb -0.03 -2.43 0.00 0.00 0.00 0.00 0.00 37.83 35.37 2jf5 s LYS 63 CO 0.24 -1.04 0.00 0.39 0.00 0.00 0.00 175.35 174.94 2jf5 n GLU 64 N -0.67 -1.11 -1.88 1.78 1.02 0.13 -5.01 120.64 114.91 2jf5 n GLU 64 Ca 0.08 0.28 -0.40 0.00 -0.02 0.00 0.00 57.16 57.10 2jf5 n GLU 64 Cb 0.43 -4.12 0.00 0.00 -0.02 0.00 0.00 31.44 27.74 2jf5 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2jf5 s SER 65 N -2.01 6.15 -0.22 1.62 0.01 -0.89 -4.72 113.70 113.65 2jf5 s SER 65 Ca 0.00 2.88 -0.08 0.00 1.31 0.00 0.00 55.95 60.06 2jf5 s SER 65 Cb 0.00 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 2jf5 s SER 65 CO 0.00 -0.98 0.09 -0.89 0.41 0.00 0.00 173.24 171.86 2jf5 s THR 66 N -1.19 4.74 0.01 1.44 2.01 -1.26 -0.53 115.64 120.86 2jf5 s THR 66 Ca 0.57 -0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.51 2jf5 s THR 66 Cb -0.43 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 2jf5 s THR 66 CO 0.56 0.39 0.20 -0.76 -0.69 0.00 0.00 174.62 174.32 2jf5 s LEU 67 N 0.95 4.37 -0.20 4.42 1.02 0.25 -4.67 118.68 124.81 2jf5 s LEU 67 Ca 0.05 0.34 -0.05 0.00 0.02 0.00 0.00 54.13 54.49 2jf5 s LEU 67 Cb -0.14 -2.72 -0.02 0.00 0.02 0.00 0.00 46.19 43.33 2jf5 s LEU 67 CO 0.03 0.24 -0.00 -1.00 0.02 0.00 0.00 176.35 175.63 2jf5 s HIS 68 N -1.38 3.03 -0.06 0.29 3.76 0.43 -0.51 115.29 120.86 2jf5 s HIS 68 Ca 0.29 -0.49 -0.18 0.00 -0.15 0.00 0.00 55.06 54.54 2jf5 s HIS 68 Cb -0.13 -2.08 -0.05 0.00 1.11 0.00 0.00 32.58 31.43 2jf5 s HIS 68 CO 0.21 -0.26 0.49 -1.17 -0.85 0.00 0.00 174.74 173.16 2jf5 s LEU 69 N 1.03 4.37 0.04 0.89 2.96 -0.29 -1.32 118.68 126.35 2jf5 s LEU 69 Ca 0.02 0.95 0.05 0.00 -0.22 0.00 0.00 54.13 54.92 2jf5 s LEU 69 Cb -0.14 -2.73 -0.02 0.00 0.50 0.00 0.00 46.19 43.79 2jf5 s LEU 69 CO 0.02 0.11 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.32 2jf5 s VAL 70 N -0.03 1.13 0.04 1.68 1.01 -0.31 -4.43 120.40 119.48 2jf5 s VAL 70 Ca 0.27 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 2jf5 s VAL 70 Cb -0.16 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 2jf5 s VAL 70 CO 0.13 0.00 1.07 -0.22 0.00 0.00 0.00 175.10 176.08 2jf5 s LEU 71 N -1.16 4.39 -0.50 3.92 2.96 -1.26 -0.70 118.68 126.33 2jf5 s LEU 71 Ca 0.02 1.83 -0.18 0.00 -0.22 0.00 0.00 54.13 55.58 2jf5 s LEU 71 Cb -0.08 -3.58 0.07 0.00 0.50 0.00 0.00 46.19 43.11 2jf5 s LEU 71 CO 0.01 -0.32 0.54 -0.60 -1.32 0.00 0.00 176.35 174.66 2jf5 s ARG 72 N 0.88 3.05 -0.26 1.98 3.52 -0.20 -4.82 118.95 123.10 2jf5 s ARG 72 Ca 0.54 -1.15 -0.10 0.00 -0.13 0.00 0.00 55.73 54.89 2jf5 s ARG 72 Cb -0.25 -4.14 -0.05 0.00 -1.56 0.00 0.00 34.95 28.96 2jf5 s ARG 72 CO 0.29 -1.19 0.16 -0.51 -0.81 0.00 0.00 175.30 173.24 2jf5 s LEU 73 N 2.21 3.95 -0.30 -0.88 2.01 -1.26 -4.61 118.68 119.80 2jf5 s LEU 73 Ca 0.10 -0.00 0.09 0.00 0.01 0.00 0.00 54.13 54.33 2jf5 s LEU 73 Cb -0.22 -2.08 0.55 0.00 0.01 0.00 0.00 46.19 44.45 2jf5 s LEU 73 CO 0.09 -0.01 1.55 0.54 1.01 0.00 0.00 176.35 179.53 2jf5 n ARG 74 N 4.76 2.19 0.00 1.70 1.74 -1.26 -5.22 116.66 120.57 2jf5 n ARG 74 Ca -0.15 -3.10 0.00 0.00 -0.77 0.00 0.00 57.85 53.84 2jf5 n ARG 74 Cb 0.52 -1.90 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 2jf5 n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52