#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k39 s GLN 2 N 0.00 3.47 0.34 2.12 -2.07 -1.26 -1.31 119.66 120.95 2k39 s GLN 2 Ca 0.00 -0.48 0.00 0.00 -1.82 0.00 0.00 55.36 53.06 2k39 s GLN 2 Cb 0.00 -2.89 -0.00 0.00 -1.09 0.00 0.00 33.01 29.03 2k39 s GLN 2 CO 0.00 0.38 0.01 0.44 -1.32 0.00 0.00 175.29 174.80 2k39 n ILE 3 N 3.11 0.00 -4.21 3.63 -5.35 -0.24 -1.70 119.36 114.59 2k39 n ILE 3 Ca -0.18 -1.61 -0.12 0.00 -0.27 0.00 0.00 62.75 60.57 2k39 n ILE 3 Cb 0.53 0.34 -0.10 0.00 -1.74 0.00 0.00 39.64 38.66 2k39 n ILE 3 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2k39 s PHE 4 N -2.25 1.09 -0.17 4.28 0.40 -0.83 0.21 117.98 120.71 2k39 s PHE 4 Ca 0.01 -0.99 -0.02 0.00 -0.60 0.00 0.00 56.93 55.32 2k39 s PHE 4 Cb 0.00 -0.62 0.05 0.00 0.51 0.00 0.00 43.02 42.96 2k39 s PHE 4 CO 0.01 -0.20 0.02 0.08 0.70 0.00 0.00 175.22 175.83 2k39 s VAL 5 N -3.66 0.51 -0.26 -0.44 1.01 0.54 -0.54 120.40 117.57 2k39 s VAL 5 Ca 0.20 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 61.61 2k39 s VAL 5 Cb 0.06 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 2k39 s VAL 5 CO 0.01 -0.09 0.40 -0.75 0.00 0.00 0.00 175.10 174.66 2k39 s LYS 6 N 1.88 4.05 0.98 2.72 2.20 -0.59 -0.17 119.74 130.82 2k39 s LYS 6 Ca 0.00 0.11 -0.12 0.00 -0.36 0.00 0.00 55.97 55.61 2k39 s LYS 6 Cb -0.16 -3.63 0.18 0.00 -1.51 0.00 0.00 37.83 32.71 2k39 s LYS 6 CO -0.07 -0.24 1.08 0.95 -0.36 0.00 0.00 175.35 176.71 2k39 s THR 7 N 1.97 2.30 0.30 3.43 -4.23 -0.34 -2.25 115.64 116.81 2k39 s THR 7 Ca 0.17 0.10 0.02 0.00 -1.18 0.00 0.00 61.69 60.79 2k39 s THR 7 Cb -0.16 -2.49 0.14 0.00 1.34 0.00 0.00 72.50 71.34 2k39 s THR 7 CO 0.09 -0.13 1.82 -0.07 -0.54 0.00 0.00 174.62 175.80 2k39 h LEU 8 N -1.89 0.59 0.07 4.79 4.07 -1.91 -2.47 115.31 118.57 2k39 h LEU 8 Ca -0.53 -0.13 -0.00 0.00 0.08 0.00 0.00 57.88 57.30 2k39 h LEU 8 Cb 1.31 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.89 2k39 h LEU 8 CO 0.54 0.67 -0.03 0.71 -1.08 0.00 0.00 178.44 179.25 2k39 h THR 9 N 0.59 1.16 0.00 0.22 1.35 -1.93 -3.49 112.91 110.81 2k39 h THR 9 Ca 0.12 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 2k39 h THR 9 Cb 0.39 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2k39 h THR 9 CO 0.01 0.21 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 2k39 n GLY 10 N -0.08 0.95 3.73 5.82 0.00 -0.93 -5.14 105.19 109.54 2k39 n GLY 10 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 2k39 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k39 s LYS 11 N 0.00 4.44 -0.87 1.61 2.20 -1.26 -4.86 119.74 121.00 2k39 s LYS 11 Ca 0.00 0.92 -0.08 0.00 -0.36 0.00 0.00 55.97 56.46 2k39 s LYS 11 Cb 0.00 -3.42 0.22 0.00 -1.51 0.00 0.00 37.83 33.12 2k39 s LYS 11 CO 0.00 0.14 0.79 0.99 -0.36 0.00 0.00 175.35 176.91 2k39 s THR 12 N 0.51 5.02 0.13 3.43 2.01 -1.26 -1.20 115.64 124.28 2k39 s THR 12 Ca 0.38 -3.14 -0.20 0.00 0.31 0.00 0.00 61.69 59.03 2k39 s THR 12 Cb -0.18 -4.10 -0.07 0.00 0.01 0.00 0.00 72.50 68.15 2k39 s THR 12 CO 0.19 -1.05 0.64 -0.63 -0.69 0.00 0.00 174.62 173.09 2k39 s ILE 13 N -0.59 4.63 0.35 1.82 1.01 0.77 -4.80 121.20 124.38 2k39 s ILE 13 Ca 0.23 1.32 -0.26 0.00 0.00 0.00 0.00 60.65 61.94 2k39 s ILE 13 Cb -0.12 -3.94 -0.09 0.00 0.01 0.00 0.00 42.46 38.32 2k39 s ILE 13 CO -0.08 0.47 1.07 -0.89 0.00 0.00 0.00 174.94 175.51 2k39 s THR 14 N -1.21 3.59 -0.09 2.92 2.01 -1.26 -0.34 115.64 121.26 2k39 s THR 14 Ca 0.34 1.38 0.02 0.00 0.31 0.00 0.00 61.69 63.74 2k39 s THR 14 Cb -0.20 -3.79 0.01 0.00 0.01 0.00 0.00 72.50 68.53 2k39 s THR 14 CO 0.21 0.16 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.39 2k39 s LEU 15 N -2.14 1.76 -0.35 4.42 2.01 0.13 -4.87 118.68 119.64 2k39 s LEU 15 Ca 0.52 -0.41 -0.28 0.00 0.01 0.00 0.00 54.13 53.97 2k39 s LEU 15 Cb -0.27 -1.06 0.02 0.00 0.01 0.00 0.00 46.19 44.90 2k39 s LEU 15 CO 0.34 0.05 1.05 -1.61 1.01 0.00 0.00 176.35 177.19 2k39 s GLU 16 N 0.77 3.97 0.24 1.70 8.01 -1.26 -1.08 118.70 131.04 2k39 s GLU 16 Ca -0.11 0.89 0.02 0.00 0.01 0.00 0.00 54.97 55.77 2k39 s GLU 16 Cb -0.16 -3.78 -0.04 0.00 -4.31 0.00 0.00 34.13 25.85 2k39 s GLU 16 CO 0.02 -0.98 0.17 0.14 0.01 0.00 0.00 175.26 174.62 2k39 s VAL 17 N 3.74 0.01 0.05 2.63 -7.23 -0.43 -5.00 120.40 114.17 2k39 s VAL 17 Ca 0.44 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.65 2k39 s VAL 17 Cb -0.11 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.30 2k39 s VAL 17 CO 0.19 0.00 -0.11 -1.61 -0.31 0.00 0.00 175.10 173.25 2k39 s GLU 18 N -3.95 0.69 0.38 4.82 0.41 -1.26 0.82 118.70 120.62 2k39 s GLU 18 Ca 0.39 -0.80 0.14 0.00 -0.41 0.00 0.00 54.97 54.30 2k39 s GLU 18 Cb 0.06 -0.60 0.78 0.00 -1.78 0.00 0.00 34.13 32.58 2k39 s GLU 18 CO 0.17 0.13 1.35 -1.00 -0.49 0.00 0.00 175.26 175.42 2k39 h PRO 19 N 4.58 0.00 -0.02 0.39 0.13 -1.96 -0.43 132.00 134.69 2k39 h PRO 19 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2k39 h PRO 19 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2k39 h PRO 19 CO 0.42 0.00 -0.11 -1.13 -0.23 0.00 0.00 178.00 176.94 2k39 n SER 20 N -2.17 1.63 -4.72 1.44 3.41 -1.26 -2.53 113.62 109.43 2k39 n SER 20 Ca -0.01 -1.40 -0.41 0.00 -0.26 0.00 0.00 58.87 56.78 2k39 n SER 20 Cb 0.38 0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 2k39 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2k39 s ASP 21 N -2.18 7.34 0.79 4.04 1.01 -0.17 -4.86 116.67 122.64 2k39 s ASP 21 Ca 0.31 1.62 -0.11 0.00 0.71 0.00 0.00 52.55 55.08 2k39 s ASP 21 Cb 0.20 -2.55 0.06 0.00 1.01 0.00 0.00 42.92 41.65 2k39 s ASP 21 CO 0.40 -0.19 1.09 0.42 0.21 0.00 0.00 175.17 177.11 2k39 s THR 22 N 0.72 3.25 0.38 -1.27 -4.23 -1.26 -3.44 115.64 109.78 2k39 s THR 22 Ca 0.49 0.40 0.05 0.00 -1.18 0.00 0.00 61.69 61.45 2k39 s THR 22 Cb -0.21 -2.88 0.24 0.00 1.34 0.00 0.00 72.50 70.99 2k39 s THR 22 CO 0.27 -0.53 2.00 0.40 -0.54 0.00 0.00 174.62 176.22 2k39 h ILE 23 N -1.18 1.14 0.79 2.99 1.08 -1.31 0.52 117.51 121.54 2k39 h ILE 23 Ca -0.44 -0.38 -0.04 0.00 -0.39 0.00 0.00 64.86 63.62 2k39 h ILE 23 Cb 1.24 0.55 0.01 0.00 -3.07 0.00 0.00 36.82 35.55 2k39 h ILE 23 CO 0.51 0.16 -0.38 -0.08 -0.69 0.00 0.00 178.15 177.67 2k39 h GLU 24 N 0.62 -1.02 -0.65 2.37 4.81 -1.43 0.32 114.58 119.60 2k39 h GLU 24 Ca 0.16 0.07 0.12 0.00 -0.13 0.00 0.00 59.36 59.58 2k39 h GLU 24 Cb 0.03 0.23 -0.09 0.00 0.63 0.00 0.00 28.75 29.56 2k39 h GLU 24 CO -0.03 -0.67 0.19 -0.97 -0.73 0.00 0.00 179.01 176.81 2k39 h ASN 25 N -1.20 0.10 -0.15 1.04 -0.73 -1.66 0.58 115.58 113.57 2k39 h ASN 25 Ca -0.11 0.11 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 2k39 h ASN 25 Cb 0.83 0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.54 2k39 h ASN 25 CO 0.18 0.05 0.05 0.58 -0.37 0.00 0.00 177.43 177.92 2k39 h VAL 26 N 0.33 1.17 -0.68 2.57 2.07 0.02 -1.53 116.25 120.20 2k39 h VAL 26 Ca 0.35 -0.51 0.07 0.00 0.82 0.00 0.00 66.70 67.43 2k39 h VAL 26 Cb 0.52 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 2k39 h VAL 26 CO -0.40 0.16 0.45 0.11 0.02 0.00 0.00 177.57 177.90 2k39 h LYS 27 N 0.08 0.65 -0.41 1.57 1.57 -0.02 -1.98 116.57 118.02 2k39 h LYS 27 Ca 0.05 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 2k39 h LYS 27 Cb 0.19 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2k39 h LYS 27 CO -0.00 0.43 0.02 0.00 -0.57 0.00 0.00 179.45 179.32 2k39 h ALA 28 N 1.64 1.27 0.00 3.86 0.00 0.57 -3.03 119.26 123.56 2k39 h ALA 28 Ca 0.30 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2k39 h ALA 28 Cb 0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2k39 h ALA 28 CO -0.10 0.50 -0.37 0.87 0.00 0.00 0.00 179.25 180.15 2k39 h LYS 29 N 0.62 0.00 0.00 0.00 1.57 -0.50 -3.03 116.57 115.23 2k39 h LYS 29 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2k39 h LYS 29 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2k39 h LYS 29 CO 0.01 0.37 -0.12 0.82 -0.57 0.00 0.00 179.45 179.96 2k39 h ILE 30 N 0.00 0.00 -0.04 1.86 2.04 -1.49 -1.53 117.51 118.35 2k39 h ILE 30 Ca -0.00 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 2k39 h ILE 30 Cb 0.66 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 2k39 h ILE 30 CO 0.05 0.00 -0.04 -0.61 0.00 0.00 0.00 178.15 177.55 2k39 h GLN 31 N 0.00 0.09 -0.06 2.37 4.15 -1.18 -1.30 115.11 119.18 2k39 h GLN 31 Ca 0.00 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.39 2k39 h GLN 31 Cb 0.81 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.45 2k39 h GLN 31 CO 0.00 0.57 -0.47 0.22 -1.93 0.00 0.00 178.83 177.21 2k39 h ASP 32 N -0.38 -1.49 -0.30 -0.69 3.58 -1.50 -2.51 116.42 113.14 2k39 h ASP 32 Ca 0.01 0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 2k39 h ASP 32 Cb 0.55 0.57 -0.01 0.00 1.72 0.00 0.00 39.33 42.16 2k39 h ASP 32 CO 0.01 -0.44 0.12 0.50 -2.88 0.00 0.00 179.24 176.55 2k39 h LYS 33 N -0.55 0.45 0.00 0.28 3.64 -1.46 -3.42 116.57 115.51 2k39 h LYS 33 Ca 0.02 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2k39 h LYS 33 Cb 0.61 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2k39 h LYS 33 CO -0.35 0.46 -0.06 -1.91 -2.27 0.00 0.00 179.45 175.33 2k39 n GLU 34 N -4.74 4.67 0.00 1.90 4.07 -1.13 -5.06 120.64 120.35 2k39 n GLU 34 Ca -0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 2k39 n GLU 34 Cb 0.13 -0.53 0.00 0.00 -0.06 0.00 0.00 31.44 30.99 2k39 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k39 n GLY 35 N 0.23 0.59 3.64 8.31 0.00 -0.53 -4.97 105.19 112.47 2k39 n GLY 35 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2k39 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k39 s ILE 36 N -2.00 4.61 0.80 -0.61 1.01 -0.99 -4.53 121.20 119.49 2k39 s ILE 36 Ca 0.00 1.66 -0.11 0.00 0.00 0.00 0.00 60.65 62.20 2k39 s ILE 36 Cb 0.00 -4.33 0.07 0.00 0.01 0.00 0.00 42.46 38.21 2k39 s ILE 36 CO 0.00 -0.37 1.09 -2.16 0.00 0.00 0.00 174.94 173.50 2k39 s PRO 37 N 3.41 2.04 0.13 2.79 0.04 -1.26 -1.64 135.00 140.51 2k39 s PRO 37 Ca 0.42 0.70 -0.08 0.00 0.04 0.00 0.00 61.00 62.08 2k39 s PRO 37 Cb -0.13 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 2k39 s PRO 37 CO 0.13 -1.66 1.35 -1.00 0.04 0.00 0.00 177.00 175.85 2k39 h PRO 38 N -1.12 0.63 -6.86 0.56 0.13 -1.92 -3.35 132.00 120.07 2k39 h PRO 38 Ca -0.47 -0.53 -0.47 0.00 -0.87 0.00 0.00 66.00 63.66 2k39 h PRO 38 Cb 1.26 0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.49 2k39 h PRO 38 CO 0.58 1.15 0.34 0.34 -0.23 0.00 0.00 178.00 180.18 2k39 s ASP 39 N -7.07 7.38 0.00 1.44 2.15 -1.26 -3.78 116.67 115.53 2k39 s ASP 39 Ca -0.08 1.84 0.00 0.00 0.43 0.00 0.00 52.55 54.74 2k39 s ASP 39 Cb 0.09 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 2k39 s ASP 39 CO 0.88 -0.03 0.00 0.00 -0.17 0.00 0.00 175.17 175.85 2k39 n GLN 40 N 0.70 0.00 -3.39 4.34 3.00 -1.26 -4.92 117.38 115.85 2k39 n GLN 40 Ca 0.01 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.63 2k39 n GLN 40 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.68 2k39 n GLN 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2k39 s GLN 41 N 0.00 4.03 -0.10 -1.09 0.74 -1.25 -0.43 119.66 121.55 2k39 s GLN 41 Ca 0.00 0.54 0.04 0.00 0.05 0.00 0.00 55.36 55.99 2k39 s GLN 41 Cb 0.00 -3.14 0.00 0.00 1.10 0.00 0.00 33.01 30.97 2k39 s GLN 41 CO 0.00 0.61 -0.24 1.03 -0.55 0.00 0.00 175.29 176.14 2k39 s ARG 42 N -1.38 3.05 0.09 1.67 0.52 0.97 -4.88 118.95 119.00 2k39 s ARG 42 Ca 0.30 -0.88 -0.00 0.00 -0.52 0.00 0.00 55.73 54.63 2k39 s ARG 42 Cb -0.17 -2.31 -0.04 0.00 0.52 0.00 0.00 34.95 32.95 2k39 s ARG 42 CO 0.17 0.17 0.25 -0.51 0.02 0.00 0.00 175.30 175.40 2k39 s LEU 43 N 0.37 4.34 0.16 2.53 1.43 -1.26 -0.88 118.68 125.36 2k39 s LEU 43 Ca -0.18 0.30 0.07 0.00 -1.03 0.00 0.00 54.13 53.29 2k39 s LEU 43 Cb -0.18 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 2k39 s LEU 43 CO 0.08 0.12 -0.16 -0.63 0.23 0.00 0.00 176.35 176.00 2k39 s ILE 44 N -1.59 1.61 -0.03 -0.59 1.01 0.24 -2.65 121.20 119.20 2k39 s ILE 44 Ca 0.36 -1.92 0.05 0.00 0.00 0.00 0.00 60.65 59.14 2k39 s ILE 44 Cb -0.12 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 2k39 s ILE 44 CO 0.28 -0.43 -0.17 0.12 0.00 0.00 0.00 174.94 174.74 2k39 s PHE 45 N -2.32 1.67 0.00 3.97 5.36 -1.01 -1.08 117.98 124.57 2k39 s PHE 45 Ca 0.15 -0.42 0.00 0.00 -0.96 0.00 0.00 56.93 55.69 2k39 s PHE 45 Cb -0.04 -1.11 0.00 0.00 -0.34 0.00 0.00 43.02 41.53 2k39 s PHE 45 CO 0.05 -0.12 0.00 0.00 -1.46 0.00 0.00 175.22 173.69 2k39 n ALA 46 N 2.96 0.00 -0.57 11.12 0.00 -1.26 -0.49 120.51 132.27 2k39 n ALA 46 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2k39 n ALA 46 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2k39 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k39 n GLY 47 N 0.00 0.44 3.63 0.00 0.00 -1.26 -5.05 105.19 102.95 2k39 n GLY 47 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2k39 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k39 s LYS 48 N -0.06 3.99 0.09 1.61 1.02 0.36 -5.01 119.74 121.74 2k39 s LYS 48 Ca 0.00 0.96 -0.31 0.00 0.02 0.00 0.00 55.97 56.64 2k39 s LYS 48 Cb 0.00 -3.78 -0.09 0.00 -0.52 0.00 0.00 37.83 33.45 2k39 s LYS 48 CO 0.00 -1.01 1.62 -1.14 -0.92 0.00 0.00 175.35 173.90 2k39 s GLN 49 N 3.84 4.21 0.08 1.68 2.00 -1.26 -2.39 119.66 127.82 2k39 s GLN 49 Ca 0.46 2.32 -0.16 0.00 -2.00 0.00 0.00 55.36 55.98 2k39 s GLN 49 Cb -0.11 -3.48 -0.06 0.00 0.80 0.00 0.00 33.01 30.15 2k39 s GLN 49 CO 0.19 -0.69 0.52 -0.51 -0.50 0.00 0.00 175.29 174.29 2k39 s LEU 50 N 2.24 4.45 0.09 3.68 1.43 -1.09 -5.00 118.68 124.49 2k39 s LEU 50 Ca 0.72 1.11 -0.14 0.00 -1.03 0.00 0.00 54.13 54.80 2k39 s LEU 50 Cb -0.40 -2.94 -0.06 0.00 0.03 0.00 0.00 46.19 42.81 2k39 s LEU 50 CO 0.32 0.23 0.49 -1.61 0.23 0.00 0.00 176.35 176.00 2k39 s GLU 51 N -1.41 3.93 0.26 1.70 0.41 -1.26 -4.72 118.70 117.62 2k39 s GLU 51 Ca 0.31 0.42 -0.01 0.00 -0.41 0.00 0.00 54.97 55.27 2k39 s GLU 51 Cb -0.17 -3.03 0.56 0.00 -1.78 0.00 0.00 34.13 29.71 2k39 s GLU 51 CO 0.18 0.56 1.71 -0.44 -0.49 0.00 0.00 175.26 176.77 2k39 h ASP 52 N 3.91 0.23 -0.25 -0.19 5.19 -1.98 -3.17 116.42 120.16 2k39 h ASP 52 Ca -0.49 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 2k39 h ASP 52 Cb 1.20 0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.84 2k39 h ASP 52 CO 0.65 0.03 0.00 0.61 -3.12 0.00 0.00 179.24 177.41 2k39 n GLY 53 N -1.34 1.32 3.84 2.75 0.00 -1.26 -1.21 105.19 109.29 2k39 n GLY 53 Ca 0.17 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 2k39 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k39 s ARG 54 N -1.28 3.15 0.32 1.61 0.52 -1.20 -4.86 118.95 117.22 2k39 s ARG 54 Ca 0.28 0.87 0.04 0.00 -0.52 0.00 0.00 55.73 56.39 2k39 s ARG 54 Cb 0.17 -2.02 -0.02 0.00 0.52 0.00 0.00 34.95 33.60 2k39 s ARG 54 CO 0.23 -0.92 0.48 0.95 0.02 0.00 0.00 175.30 176.06 2k39 s THR 55 N -3.10 4.66 0.33 0.02 -4.23 -1.26 -1.89 115.64 110.16 2k39 s THR 55 Ca 0.57 -0.82 0.10 0.00 -1.18 0.00 0.00 61.69 60.36 2k39 s THR 55 Cb -0.13 -3.66 0.35 0.00 1.34 0.00 0.00 72.50 70.40 2k39 s THR 55 CO 0.55 -0.32 1.61 -0.07 -0.54 0.00 0.00 174.62 175.85 2k39 h LEU 56 N 0.89 0.07 -1.20 4.79 3.38 -1.66 -0.98 115.31 120.59 2k39 h LEU 56 Ca -0.49 0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 2k39 h LEU 56 Cb 1.24 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 2k39 h LEU 56 CO 0.58 -0.28 -0.37 -1.28 0.09 0.00 0.00 178.44 177.18 2k39 h SER 57 N 0.12 0.00 0.72 -0.43 0.87 -1.74 -1.71 113.55 111.38 2k39 h SER 57 Ca 0.68 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.24 2k39 h SER 57 Cb 1.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.53 2k39 h SER 57 CO -0.75 0.37 0.00 0.47 -0.53 0.00 0.00 176.83 176.39 2k39 n ASP 58 N -3.83 0.00 -0.09 6.23 8.00 -0.37 -2.79 116.55 123.69 2k39 n ASP 58 Ca -0.01 0.38 0.02 0.00 0.71 0.00 0.00 54.79 55.89 2k39 n ASP 58 Cb 0.44 -0.45 0.04 0.00 -0.02 0.00 0.00 41.12 41.13 2k39 n ASP 58 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2k39 n TYR 59 N -1.45 0.07 -2.30 1.24 4.01 -0.68 -5.00 117.16 113.04 2k39 n TYR 59 Ca 0.07 -0.58 -0.20 0.00 -0.16 0.00 0.00 57.90 57.02 2k39 n TYR 59 Cb 0.25 -0.07 -0.02 0.00 -0.31 0.00 0.00 39.34 39.20 2k39 n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2k39 n ASN 60 N -0.54 -5.70 -4.42 7.72 2.85 -1.10 -4.97 115.26 109.09 2k39 n ASN 60 Ca 0.04 0.03 -0.44 0.00 -0.11 0.00 0.00 54.58 54.10 2k39 n ASN 60 Cb 0.34 -4.75 -0.07 0.00 1.24 0.00 0.00 39.78 36.54 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2k39 s ILE 61 N -2.98 5.00 0.78 -1.44 1.01 -0.97 -5.04 121.20 117.57 2k39 s ILE 61 Ca 0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 2k39 s ILE 61 Cb 0.00 -4.25 0.15 0.00 0.01 0.00 0.00 42.46 38.37 2k39 s ILE 61 CO 0.00 -0.74 1.08 -1.10 0.00 0.00 0.00 174.94 174.18 2k39 s GLN 62 N 2.27 1.38 0.95 2.79 -0.21 -1.26 -4.60 119.66 120.99 2k39 s GLN 62 Ca 0.11 -1.01 -0.10 0.00 0.02 0.00 0.00 55.36 54.37 2k39 s GLN 62 Cb -0.21 -2.22 0.17 0.00 1.00 0.00 0.00 33.01 31.74 2k39 s GLN 62 CO 0.10 -1.71 1.13 -1.59 -2.12 0.00 0.00 175.29 171.09 2k39 s LYS 63 N -5.33 0.70 0.00 2.91 -2.85 -1.26 -4.08 119.74 109.83 2k39 s LYS 63 Ca 0.69 1.44 0.00 0.00 -1.00 0.00 0.00 55.97 57.10 2k39 s LYS 63 Cb -0.04 -1.70 0.00 0.00 -2.06 0.00 0.00 37.83 34.03 2k39 s LYS 63 CO 0.47 -2.82 0.00 -1.91 0.10 0.00 0.00 175.35 171.19 2k39 n GLU 64 N -4.35 -0.15 -2.29 1.78 2.13 -0.69 -5.00 120.64 112.07 2k39 n GLU 64 Ca 0.10 0.04 -0.42 0.00 0.66 0.00 0.00 57.16 57.54 2k39 n GLU 64 Cb 0.52 -3.15 -0.03 0.00 0.27 0.00 0.00 31.44 29.05 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2k39 s SER 65 N -2.53 6.97 -0.37 4.31 0.01 -1.26 -4.78 113.70 116.04 2k39 s SER 65 Ca 0.00 2.25 -0.15 0.00 1.31 0.00 0.00 55.95 59.36 2k39 s SER 65 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2k39 s SER 65 CO 0.00 -0.51 0.35 0.42 0.41 0.00 0.00 173.24 173.92 2k39 s THR 66 N 0.53 5.18 0.44 1.44 -4.23 -1.26 -1.97 115.64 115.77 2k39 s THR 66 Ca 0.58 -0.22 -0.10 0.00 -1.18 0.00 0.00 61.69 60.78 2k39 s THR 66 Cb -0.34 -3.88 -0.06 0.00 1.34 0.00 0.00 72.50 69.56 2k39 s THR 66 CO 0.34 -0.21 0.80 -0.76 -0.54 0.00 0.00 174.62 174.25 2k39 s LEU 67 N 1.95 3.74 -0.13 4.79 1.02 0.30 -4.68 118.68 125.67 2k39 s LEU 67 Ca 0.10 1.12 -0.00 0.00 0.02 0.00 0.00 54.13 55.37 2k39 s LEU 67 Cb -0.17 -4.03 0.02 0.00 0.02 0.00 0.00 46.19 42.03 2k39 s LEU 67 CO 0.12 -0.47 -0.10 -2.28 0.02 0.00 0.00 176.35 173.63 2k39 s HIS 68 N -2.51 1.81 -0.25 0.29 5.65 -0.24 -1.54 115.29 118.50 2k39 s HIS 68 Ca 0.51 -0.98 -0.19 0.00 0.25 0.00 0.00 55.06 54.65 2k39 s HIS 68 Cb -0.10 -1.40 -0.02 0.00 -1.18 0.00 0.00 32.58 29.87 2k39 s HIS 68 CO 0.36 -0.59 0.56 -1.17 -0.65 0.00 0.00 174.74 173.25 2k39 s LEU 69 N 1.60 4.06 -0.12 8.88 0.20 -0.96 -0.59 118.68 131.76 2k39 s LEU 69 Ca 0.05 0.61 0.00 0.00 0.69 0.00 0.00 54.13 55.48 2k39 s LEU 69 Cb -0.13 -2.74 -0.02 0.00 -0.43 0.00 0.00 46.19 42.87 2k39 s LEU 69 CO -0.09 -0.31 -0.14 -0.69 -0.29 0.00 0.00 176.35 174.83 2k39 s VAL 70 N 2.34 3.01 -0.22 1.68 1.01 -0.06 -3.65 120.40 124.52 2k39 s VAL 70 Ca 0.23 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 2k39 s VAL 70 Cb -0.16 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 2k39 s VAL 70 CO 0.09 0.53 0.22 -0.76 0.00 0.00 0.00 175.10 175.18 2k39 s LEU 71 N 0.24 4.15 0.07 3.92 1.43 -1.26 -0.02 118.68 127.20 2k39 s LEU 71 Ca -0.09 0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 53.05 2k39 s LEU 71 Cb -0.15 -2.22 -0.13 0.00 0.03 0.00 0.00 46.19 43.72 2k39 s LEU 71 CO 0.05 0.05 1.60 -0.09 0.23 0.00 0.00 176.35 178.20 2k39 h ARG 72 N 7.28 0.15 -4.28 1.70 2.43 -1.09 -3.47 114.38 117.11 2k39 h ARG 72 Ca -0.38 -0.03 -0.24 0.00 -0.81 0.00 0.00 59.98 58.52 2k39 h ARG 72 Cb 1.16 -0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 30.58 2k39 h ARG 72 CO 0.69 0.27 -0.36 -0.51 -1.51 0.00 0.00 179.97 178.55 2k39 s LEU 73 N -9.83 0.99 0.21 3.80 1.43 -1.25 -5.11 118.68 108.92 2k39 s LEU 73 Ca -0.14 -1.35 -0.30 0.00 -1.03 0.00 0.00 54.13 51.31 2k39 s LEU 73 Cb 0.06 1.03 -0.09 0.00 0.03 0.00 0.00 46.19 47.22 2k39 s LEU 73 CO 0.69 -1.07 1.31 -0.13 0.23 0.00 0.00 176.35 177.38 2k39 s ARG 74 N -3.74 4.39 0.00 1.70 0.52 -1.26 -4.78 118.95 115.78 2k39 s ARG 74 Ca 0.33 2.07 0.00 0.00 -0.52 0.00 0.00 55.73 57.61 2k39 s ARG 74 Cb 0.03 -3.18 0.00 0.00 0.52 0.00 0.00 34.95 32.31 2k39 s ARG 74 CO 0.16 -0.24 0.00 0.41 0.02 0.00 0.00 175.30 175.64 2k39 n GLY 75 N 2.20 0.00 0.00 -3.53 0.00 -1.26 -5.04 105.19 97.57 2k39 n GLY 75 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93