#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 2.62 0.05 3.17 -1.52 -1.26 -0.20 119.66 122.53 2k39 s GLN 2 Ca 0.00 -0.73 -0.07 0.00 -1.95 0.00 0.00 55.36 52.61 2k39 s GLN 2 Cb 0.00 -2.57 -0.01 0.00 -0.22 0.00 0.00 33.01 30.21 2k39 s GLN 2 CO 0.00 0.59 0.14 0.96 -0.25 0.00 0.00 175.29 176.73 2k39 s ILE 3 N -1.14 0.14 -0.09 1.08 -4.36 -0.21 -0.51 121.20 116.11 2k39 s ILE 3 Ca 0.21 -1.12 -0.06 0.00 -0.26 0.00 0.00 60.65 59.42 2k39 s ILE 3 Cb -0.11 -1.09 -0.04 0.00 1.25 0.00 0.00 42.46 42.46 2k39 s ILE 3 CO 0.12 -0.62 0.16 -0.36 0.24 0.00 0.00 174.94 174.48 2k39 s PHE 4 N -3.09 3.59 -0.13 1.37 0.08 -0.76 -0.64 117.98 118.39 2k39 s PHE 4 Ca -0.01 0.51 -0.03 0.00 0.12 0.00 0.00 56.93 57.51 2k39 s PHE 4 Cb 0.02 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 2k39 s PHE 4 CO -0.07 0.72 -0.01 0.08 -0.10 0.00 0.00 175.22 175.84 2k39 s VAL 5 N -1.09 4.16 -0.30 -0.44 1.01 0.32 -1.85 120.40 122.20 2k39 s VAL 5 Ca 0.18 -0.28 -0.19 0.00 0.00 0.00 0.00 61.98 61.69 2k39 s VAL 5 Cb -0.12 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 2k39 s VAL 5 CO 0.07 0.53 0.58 -0.75 0.00 0.00 0.00 175.10 175.54 2k39 s LYS 6 N -0.10 3.89 0.62 2.72 2.47 0.23 -0.20 119.74 129.37 2k39 s LYS 6 Ca 0.03 0.23 -0.09 0.00 -1.56 0.00 0.00 55.97 54.58 2k39 s LYS 6 Cb -0.13 -3.72 -0.01 0.00 -1.46 0.00 0.00 37.83 32.51 2k39 s LYS 6 CO 0.02 -0.53 0.98 0.95 0.16 0.00 0.00 175.35 176.93 2k39 s THR 7 N 2.50 4.13 -0.14 3.43 -4.23 -0.12 -3.22 115.64 118.00 2k39 s THR 7 Ca 0.23 0.44 0.17 0.00 -1.18 0.00 0.00 61.69 61.35 2k39 s THR 7 Cb -0.15 -3.65 0.11 0.00 1.34 0.00 0.00 72.50 70.14 2k39 s THR 7 CO 0.11 -0.78 1.51 0.17 -0.54 0.00 0.00 174.62 175.09 2k39 h LEU 8 N -0.30 0.00 0.00 4.79 8.10 -1.87 -3.35 115.31 122.68 2k39 h LEU 8 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.54 2k39 h LEU 8 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.45 2k39 h LEU 8 CO 0.62 0.42 -0.71 0.71 -4.11 0.00 0.00 178.44 175.38 2k39 h THR 9 N 0.00 0.00 0.00 0.15 1.35 -1.95 -3.48 112.91 108.99 2k39 h THR 9 Ca -0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 2k39 h THR 9 Cb 1.26 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 2k39 h THR 9 CO 0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 2k39 n GLY 10 N 1.23 0.05 3.93 5.82 0.00 -1.26 -5.14 105.19 109.83 2k39 n GLY 10 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 2k39 n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k39 s LYS 11 N 0.00 3.15 -0.15 1.61 -2.85 -1.26 -4.90 119.74 115.34 2k39 s LYS 11 Ca 0.00 -0.24 -0.00 0.00 -1.00 0.00 0.00 55.97 54.73 2k39 s LYS 11 Cb 0.00 -2.47 0.03 0.00 -2.06 0.00 0.00 37.83 33.34 2k39 s LYS 11 CO 0.00 -0.32 -0.07 0.99 0.10 0.00 0.00 175.35 176.04 2k39 s THR 12 N -2.67 1.18 -0.20 3.79 2.01 -1.26 -0.94 115.64 117.55 2k39 s THR 12 Ca 0.49 -0.55 -0.10 0.00 0.31 0.00 0.00 61.69 61.84 2k39 s THR 12 Cb -0.10 -1.27 -0.05 0.00 0.01 0.00 0.00 72.50 71.09 2k39 s THR 12 CO 0.41 0.25 0.13 -0.63 -0.69 0.00 0.00 174.62 174.08 2k39 s ILE 13 N 1.62 5.35 -0.48 1.82 1.01 0.72 -4.91 121.20 126.34 2k39 s ILE 13 Ca 0.02 0.17 -0.21 0.00 0.00 0.00 0.00 60.65 60.64 2k39 s ILE 13 Cb -0.14 -3.44 0.04 0.00 0.01 0.00 0.00 42.46 38.92 2k39 s ILE 13 CO -0.08 0.44 0.69 -0.89 0.00 0.00 0.00 174.94 175.10 2k39 s THR 14 N 0.39 4.76 0.11 2.92 2.01 -1.26 -0.53 115.64 124.05 2k39 s THR 14 Ca 0.08 -0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.05 2k39 s THR 14 Cb -0.11 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 2k39 s THR 14 CO -0.02 -0.76 0.18 -0.76 -0.69 0.00 0.00 174.62 172.57 2k39 s LEU 15 N 2.97 4.06 -0.21 4.42 1.43 0.19 -4.97 118.68 126.56 2k39 s LEU 15 Ca 0.22 0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.36 2k39 s LEU 15 Cb -0.15 -2.68 -0.00 0.00 0.03 0.00 0.00 46.19 43.38 2k39 s LEU 15 CO 0.17 0.11 -0.08 -0.70 0.23 0.00 0.00 176.35 176.08 2k39 s GLU 16 N -2.81 3.28 0.10 1.70 -6.30 -1.26 -1.04 118.70 112.37 2k39 s GLU 16 Ca 0.32 -0.68 0.08 0.00 -2.50 0.00 0.00 54.97 52.20 2k39 s GLU 16 Cb -0.12 -2.91 -0.03 0.00 0.00 0.00 0.00 34.13 31.07 2k39 s GLU 16 CO 0.25 -0.20 -0.21 0.14 0.02 0.00 0.00 175.26 175.26 2k39 s VAL 17 N 1.44 1.75 -0.00 3.70 -7.23 0.72 -4.93 120.40 115.85 2k39 s VAL 17 Ca 0.06 -1.54 -0.28 0.00 -1.81 0.00 0.00 61.98 58.40 2k39 s VAL 17 Cb -0.14 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.18 2k39 s VAL 17 CO -0.05 -0.03 0.91 -0.70 -0.31 0.00 0.00 175.10 174.91 2k39 s GLU 18 N -1.87 4.54 0.56 4.82 -6.30 -1.26 -0.78 118.70 118.41 2k39 s GLU 18 Ca 0.07 1.29 0.28 0.00 -2.50 0.00 0.00 54.97 54.11 2k39 s GLU 18 Cb -0.10 -3.45 0.96 0.00 0.00 0.00 0.00 34.13 31.55 2k39 s GLU 18 CO 0.04 0.01 1.25 -2.30 0.02 0.00 0.00 175.26 174.28 2k39 n PRO 19 N 3.73 0.01 -0.25 4.30 -0.02 -1.26 -1.31 135.00 140.20 2k39 n PRO 19 Ca 0.04 0.97 0.08 0.00 -2.02 0.00 0.00 63.50 62.57 2k39 n PRO 19 Cb 0.51 -2.38 0.19 0.00 -0.02 0.00 0.00 33.50 31.80 2k39 n PRO 19 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2k39 n SER 20 N -3.22 3.10 -4.60 2.55 3.41 -1.26 -1.70 113.62 111.90 2k39 n SER 20 Ca 0.25 -2.90 -0.43 0.00 -0.26 0.00 0.00 58.87 55.53 2k39 n SER 20 Cb 1.51 -0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 64.99 2k39 n SER 20 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2k39 n ASP 21 N -0.79 3.31 -4.72 4.04 8.00 -0.43 -4.93 116.55 121.03 2k39 n ASP 21 Ca 0.17 0.30 -0.29 0.00 0.71 0.00 0.00 54.79 55.68 2k39 n ASP 21 Cb 0.72 -1.54 0.16 0.00 -0.02 0.00 0.00 41.12 40.44 2k39 n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2k39 s THR 22 N 7.81 2.08 0.49 -3.53 -4.23 -1.26 -3.93 115.64 113.06 2k39 s THR 22 Ca 1.00 0.02 0.26 0.00 -1.18 0.00 0.00 61.69 61.79 2k39 s THR 22 Cb -0.37 -2.63 0.44 0.00 1.34 0.00 0.00 72.50 71.28 2k39 s THR 22 CO 0.37 -0.03 1.87 0.40 -0.54 0.00 0.00 174.62 176.68 2k39 h ILE 23 N -1.71 0.59 0.00 2.99 1.08 -1.87 -0.81 117.51 117.77 2k39 h ILE 23 Ca -0.53 -0.06 -0.02 0.00 -0.39 0.00 0.00 64.86 63.86 2k39 h ILE 23 Cb 1.33 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 35.48 2k39 h ILE 23 CO 0.59 0.03 -0.78 -0.08 -0.69 0.00 0.00 178.15 177.22 2k39 h GLU 24 N 0.16 0.00 0.20 2.37 4.57 -1.92 -3.30 114.58 116.67 2k39 h GLU 24 Ca 0.46 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 58.32 2k39 h GLU 24 Cb 1.53 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 30.15 2k39 h GLU 24 CO -0.09 0.06 -1.39 -0.91 -1.18 0.00 0.00 179.01 175.50 2k39 h ASN 25 N 0.00 0.80 -1.06 1.04 4.21 -1.49 -2.98 115.58 116.09 2k39 h ASN 25 Ca -0.02 -0.82 0.37 0.00 1.21 0.00 0.00 56.30 57.04 2k39 h ASN 25 Cb 1.08 -0.26 -0.15 0.00 -1.12 0.00 0.00 38.32 37.87 2k39 h ASN 25 CO 0.01 1.63 0.62 0.58 -1.29 0.00 0.00 177.43 178.98 2k39 h VAL 26 N 0.17 0.19 -0.04 2.81 2.07 -1.55 -2.77 116.25 117.13 2k39 h VAL 26 Ca -0.22 -0.07 -0.23 0.00 0.82 0.00 0.00 66.70 67.00 2k39 h VAL 26 Cb 2.08 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2k39 h VAL 26 CO 0.26 0.04 -0.90 0.11 0.02 0.00 0.00 177.57 177.09 2k39 h LYS 27 N 0.19 0.57 0.00 1.57 1.57 -1.62 -0.85 116.57 118.00 2k39 h LYS 27 Ca 0.78 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2k39 h LYS 27 Cb 2.00 0.14 0.00 0.00 0.08 0.00 0.00 32.23 34.45 2k39 h LYS 27 CO -0.61 1.18 0.00 0.00 -0.57 0.00 0.00 179.45 179.45 2k39 h ALA 28 N 0.64 1.00 0.15 3.86 0.00 -1.55 0.43 119.26 123.79 2k39 h ALA 28 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.49 2k39 h ALA 28 Cb 1.53 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 2k39 h ALA 28 CO 0.17 0.00 -1.74 0.87 0.00 0.00 0.00 179.25 178.55 2k39 h LYS 29 N 0.00 0.32 -0.79 0.00 1.57 -1.25 -1.71 116.57 114.71 2k39 h LYS 29 Ca 0.00 -0.54 0.04 0.00 -1.87 0.00 0.00 60.65 58.28 2k39 h LYS 29 Cb 0.35 0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.81 2k39 h LYS 29 CO 0.00 1.21 0.49 0.82 -0.57 0.00 0.00 179.45 181.41 2k39 h ILE 30 N 0.09 1.09 -0.09 1.86 2.04 -1.02 -3.08 117.51 118.39 2k39 h ILE 30 Ca -0.33 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.23 2k39 h ILE 30 Cb 2.07 0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 2k39 h ILE 30 CO 0.15 0.17 -0.39 -0.61 0.00 0.00 0.00 178.15 177.48 2k39 h GLN 31 N 0.95 -0.41 -0.65 2.37 4.15 -0.97 0.11 115.11 120.66 2k39 h GLN 31 Ca 0.32 0.03 0.26 0.00 0.77 0.00 0.00 58.65 60.04 2k39 h GLN 31 Cb 0.06 0.09 -0.12 0.00 0.21 0.00 0.00 27.48 27.73 2k39 h GLN 31 CO -0.13 -0.27 0.32 -3.47 -1.93 0.00 0.00 178.83 173.35 2k39 n ASP 32 N -4.61 0.20 -0.11 -0.69 2.03 -0.64 -0.09 116.55 112.63 2k39 n ASP 32 Ca -0.04 1.08 -0.21 0.00 0.52 0.00 0.00 54.79 56.14 2k39 n ASP 32 Cb 0.27 -0.52 -0.08 0.00 -0.72 0.00 0.00 41.12 40.08 2k39 n ASP 32 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k39 n LYS 33 N -4.50 0.56 0.00 -0.67 4.01 -1.14 -4.79 118.16 111.62 2k39 n LYS 33 Ca 0.24 0.36 0.04 0.00 -0.51 0.00 0.00 58.31 58.43 2k39 n LYS 33 Cb 0.81 -1.56 0.01 0.00 -0.51 0.00 0.00 35.03 33.77 2k39 n LYS 33 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2k39 n GLU 34 N -4.38 1.81 -0.04 1.97 -0.58 0.36 -5.03 120.64 114.75 2k39 n GLU 34 Ca -0.36 -0.63 0.00 0.00 -0.42 0.00 0.00 57.16 55.75 2k39 n GLU 34 Cb 0.70 -1.05 0.00 0.00 -0.57 0.00 0.00 31.44 30.52 2k39 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k39 n GLY 35 N 0.74 1.15 3.72 0.62 0.00 0.87 -4.95 105.19 107.33 2k39 n GLY 35 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.44 2.89 0.37 -0.61 1.01 -1.26 -4.85 121.20 116.31 2k39 s ILE 36 Ca 0.00 0.64 -0.26 0.00 0.00 0.00 0.00 60.65 61.03 2k39 s ILE 36 Cb 0.00 -3.41 -0.09 0.00 0.01 0.00 0.00 42.46 38.97 2k39 s ILE 36 CO 0.00 0.05 1.16 -2.16 0.00 0.00 0.00 174.94 173.99 2k39 s PRO 37 N 1.13 4.20 0.07 2.79 0.04 -1.26 -4.01 135.00 137.95 2k39 s PRO 37 Ca 0.68 1.84 -0.13 0.00 0.04 0.00 0.00 61.00 63.43 2k39 s PRO 37 Cb -0.41 -2.79 -0.03 0.00 0.04 0.00 0.00 34.50 31.31 2k39 s PRO 37 CO 0.31 -0.20 0.66 -2.30 0.04 0.00 0.00 177.00 175.51 2k39 n PRO 38 N 0.32 -0.18 0.17 0.56 -0.02 -1.26 -2.60 135.00 132.00 2k39 n PRO 38 Ca 0.03 0.65 0.18 0.00 -2.02 0.00 0.00 63.50 62.34 2k39 n PRO 38 Cb 0.46 -0.96 0.80 0.00 -0.02 0.00 0.00 33.50 33.78 2k39 n PRO 38 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2k39 h ASP 39 N 0.00 0.00 0.50 2.55 3.58 -1.93 -1.76 116.42 119.36 2k39 h ASP 39 Ca 0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2k39 h ASP 39 Cb 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2k39 h ASP 39 CO -0.39 0.00 -0.49 1.67 -2.88 0.00 0.00 179.24 177.16 2k39 n GLN 40 N -3.74 0.02 -3.53 0.28 7.27 -1.07 -4.85 117.38 111.76 2k39 n GLN 40 Ca 0.03 -0.01 -0.28 0.00 0.07 0.00 0.00 57.00 56.82 2k39 n GLN 40 Cb 0.42 -1.50 -0.03 0.00 2.41 0.00 0.00 30.24 31.54 2k39 n GLN 40 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2k39 s GLN 41 N -2.99 3.57 0.02 3.69 -0.21 -0.66 0.54 119.66 123.62 2k39 s GLN 41 Ca 0.11 -0.19 -0.05 0.00 0.02 0.00 0.00 55.36 55.25 2k39 s GLN 41 Cb 0.18 -2.75 -0.01 0.00 1.00 0.00 0.00 33.01 31.43 2k39 s GLN 41 CO 0.69 0.31 0.09 0.50 -2.12 0.00 0.00 175.29 174.77 2k39 s ARG 42 N -3.45 0.51 -0.16 2.91 3.52 -0.46 -4.73 118.95 117.09 2k39 s ARG 42 Ca 0.41 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 55.40 2k39 s ARG 42 Cb -0.11 0.20 0.02 0.00 -1.56 0.00 0.00 34.95 33.51 2k39 s ARG 42 CO 0.30 -0.12 -0.15 -0.51 -0.81 0.00 0.00 175.30 174.01 2k39 s LEU 43 N -1.76 1.79 -0.03 -0.88 1.43 -1.26 -3.42 118.68 114.54 2k39 s LEU 43 Ca -0.10 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 2k39 s LEU 43 Cb -0.05 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.91 2k39 s LEU 43 CO -0.02 -0.05 0.00 -0.63 0.23 0.00 0.00 176.35 175.88 2k39 s ILE 44 N 1.45 4.21 -0.14 -0.59 -1.09 -0.92 -2.13 121.20 122.00 2k39 s ILE 44 Ca 0.05 -0.48 -0.21 0.00 -2.23 0.00 0.00 60.65 57.78 2k39 s ILE 44 Cb -0.13 -2.84 0.05 0.00 -1.58 0.00 0.00 42.46 37.96 2k39 s ILE 44 CO -0.11 0.45 0.54 0.12 -1.23 0.00 0.00 174.94 174.71 2k39 s PHE 45 N -1.02 -0.54 -1.29 3.97 5.36 -0.59 -2.67 117.98 121.21 2k39 s PHE 45 Ca 0.17 1.18 -0.03 0.00 -0.96 0.00 0.00 56.93 57.30 2k39 s PHE 45 Cb -0.11 0.23 0.02 0.00 -0.34 0.00 0.00 43.02 42.81 2k39 s PHE 45 CO 0.08 -0.38 0.19 0.00 -1.46 0.00 0.00 175.22 173.65 2k39 n ALA 46 N 2.10 -0.84 -0.24 11.12 0.00 -1.26 -1.79 120.51 129.60 2k39 n ALA 46 Ca -0.16 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2k39 n ALA 46 Cb 0.56 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.80 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 -1.02 0.69 3.06 0.00 0.00 -1.26 -5.04 105.19 101.62 2k39 n GLY 47 Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 2k39 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k39 s LYS 48 N -0.76 0.53 0.28 1.61 -2.85 -0.74 -5.16 119.74 112.65 2k39 s LYS 48 Ca 0.00 -0.78 -0.29 0.00 -1.00 0.00 0.00 55.97 53.90 2k39 s LYS 48 Cb 0.00 -0.28 -0.09 0.00 -2.06 0.00 0.00 37.83 35.40 2k39 s LYS 48 CO 0.00 0.04 1.04 -1.14 0.10 0.00 0.00 175.35 175.39 2k39 s GLN 49 N -1.67 4.67 0.08 1.78 0.74 -1.26 -1.54 119.66 122.46 2k39 s GLN 49 Ca -0.09 1.65 -0.31 0.00 0.05 0.00 0.00 55.36 56.66 2k39 s GLN 49 Cb -0.09 -3.14 -0.07 0.00 1.10 0.00 0.00 33.01 30.81 2k39 s GLN 49 CO 0.00 0.29 1.30 -0.51 -0.55 0.00 0.00 175.29 175.82 2k39 s LEU 50 N -1.49 4.36 0.08 3.68 1.43 -0.90 -4.94 118.68 120.89 2k39 s LEU 50 Ca 0.45 2.16 -0.20 0.00 -1.03 0.00 0.00 54.13 55.51 2k39 s LEU 50 Cb -0.29 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.29 2k39 s LEU 50 CO 0.36 -0.58 0.59 -0.70 0.23 0.00 0.00 176.35 176.25 2k39 s GLU 51 N 1.22 4.24 -0.29 1.70 2.56 -1.26 -4.90 118.70 121.96 2k39 s GLU 51 Ca 0.62 0.77 -0.25 0.00 0.00 0.00 0.00 54.97 56.11 2k39 s GLU 51 Cb -0.33 -3.25 0.00 0.00 2.00 0.00 0.00 34.13 32.56 2k39 s GLU 51 CO 0.29 0.62 0.86 0.34 -0.56 0.00 0.00 175.26 176.81 2k39 s ASP 52 N -1.05 6.77 0.00 -1.70 2.15 -1.26 -4.14 116.67 117.43 2k39 s ASP 52 Ca 0.30 0.85 0.00 0.00 0.43 0.00 0.00 52.55 54.13 2k39 s ASP 52 Cb -0.20 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 2k39 s ASP 52 CO 0.19 -0.64 0.00 0.61 -0.17 0.00 0.00 175.17 175.17 2k39 n GLY 53 N 4.00 -0.06 3.16 2.66 0.00 -1.26 -5.09 105.19 108.59 2k39 n GLY 53 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.86 0.46 1.61 3.00 -1.26 -5.05 118.95 118.57 2k39 s ARG 54 Ca 0.00 -1.33 0.01 0.00 0.00 0.00 0.00 55.73 54.41 2k39 s ARG 54 Cb 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 34.95 35.20 2k39 s ARG 54 CO 0.00 -0.24 0.05 0.25 0.00 0.00 0.00 175.30 175.36 2k39 n THR 55 N -0.05 0.00 -0.01 0.02 -2.24 -1.26 -3.09 114.28 107.64 2k39 n THR 55 Ca -0.08 -2.32 0.07 0.00 -2.27 0.00 0.00 64.05 59.44 2k39 n THR 55 Cb 0.63 0.59 0.46 0.00 -2.10 0.00 0.00 70.33 69.91 2k39 n THR 55 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2k39 h LEU 56 N 0.00 0.42 -0.19 3.22 4.07 -1.66 -2.14 115.31 119.03 2k39 h LEU 56 Ca -0.37 -0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.36 2k39 h LEU 56 Cb 1.22 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.86 2k39 h LEU 56 CO 0.61 0.29 -0.94 0.77 -1.08 0.00 0.00 178.44 178.09 2k39 h SER 57 N 0.48 0.42 -0.09 -0.43 4.64 -1.59 0.93 113.55 117.92 2k39 h SER 57 Ca 0.18 -0.35 -0.17 0.00 -0.47 0.00 0.00 61.79 60.98 2k39 h SER 57 Cb 0.13 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2k39 h SER 57 CO -0.05 1.16 -0.63 0.44 -0.87 0.00 0.00 176.83 176.88 2k39 h ASP 58 N 0.17 0.70 0.00 4.97 3.32 -1.72 -2.82 116.42 121.05 2k39 h ASP 58 Ca -0.07 -0.67 0.00 0.00 0.02 0.00 0.00 57.03 56.31 2k39 h ASP 58 Cb 1.58 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.92 2k39 h ASP 58 CO 0.16 1.26 0.00 -1.22 -1.72 0.00 0.00 179.24 177.72 2k39 n TYR 59 N -4.13 0.00 -1.10 4.55 4.01 -0.85 -4.95 117.16 114.68 2k39 n TYR 59 Ca -0.09 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.62 2k39 n TYR 59 Cb 0.67 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.69 2k39 n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2k39 n ASN 60 N -0.80 -3.55 -4.73 7.72 3.02 -0.68 -4.97 115.26 111.27 2k39 n ASN 60 Ca 0.12 0.09 -0.42 0.00 -0.03 0.00 0.00 54.58 54.34 2k39 n ASN 60 Cb 0.05 -1.36 -0.03 0.00 -0.61 0.00 0.00 39.78 37.83 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2k39 s ILE 61 N -2.09 3.31 0.15 2.41 1.01 0.23 -5.00 121.20 121.23 2k39 s ILE 61 Ca 0.00 1.03 0.09 0.00 0.00 0.00 0.00 60.65 61.77 2k39 s ILE 61 Cb 0.00 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 2k39 s ILE 61 CO 0.00 0.13 -0.20 -1.58 0.00 0.00 0.00 174.94 173.29 2k39 s GLN 62 N 0.28 1.26 0.21 2.79 2.00 -1.26 -4.63 119.66 120.31 2k39 s GLN 62 Ca 0.59 -1.35 -0.32 0.00 -2.00 0.00 0.00 55.36 52.28 2k39 s GLN 62 Cb -0.36 -1.43 -0.15 0.00 0.80 0.00 0.00 33.01 31.88 2k39 s GLN 62 CO 0.35 0.31 1.26 0.36 -0.50 0.00 0.00 175.29 177.07 2k39 n LYS 63 N 0.54 1.55 -0.75 1.67 -0.00 -1.26 -3.33 118.16 116.58 2k39 n LYS 63 Ca -0.15 0.55 0.00 0.00 -0.00 0.00 0.00 58.31 58.71 2k39 n LYS 63 Cb 0.56 -2.11 0.00 0.00 -0.00 0.00 0.00 35.03 33.48 2k39 n LYS 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2k39 n GLU 64 N 1.79 0.00 -2.57 -1.58 1.02 0.33 -4.97 120.64 114.65 2k39 n GLU 64 Ca 0.13 0.04 -0.28 0.00 -0.02 0.00 0.00 57.16 57.04 2k39 n GLU 64 Cb 0.28 -2.35 -0.00 0.00 -0.02 0.00 0.00 31.44 29.35 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2k39 s SER 65 N -2.09 6.26 -0.17 1.62 0.01 -1.21 -4.76 113.70 113.36 2k39 s SER 65 Ca 0.00 0.97 -0.01 0.00 1.31 0.00 0.00 55.95 58.22 2k39 s SER 65 Cb 0.00 -2.27 0.05 0.00 0.21 0.00 0.00 66.02 64.01 2k39 s SER 65 CO 0.00 -0.60 -0.02 -0.89 0.41 0.00 0.00 173.24 172.14 2k39 s THR 66 N -2.77 0.91 0.31 1.44 2.01 -1.26 -1.83 115.64 114.45 2k39 s THR 66 Ca 0.48 -0.62 0.07 0.00 0.31 0.00 0.00 61.69 61.94 2k39 s THR 66 Cb -0.10 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 2k39 s THR 66 CO 0.45 0.00 0.27 -0.76 -0.69 0.00 0.00 174.62 173.90 2k39 s LEU 67 N 1.70 3.70 0.18 4.42 1.02 -0.77 -4.90 118.68 124.04 2k39 s LEU 67 Ca -0.00 -0.39 0.10 0.00 0.02 0.00 0.00 54.13 53.86 2k39 s LEU 67 Cb -0.16 -2.29 -0.04 0.00 0.02 0.00 0.00 46.19 43.71 2k39 s LEU 67 CO -0.07 -0.25 -0.21 -1.00 0.02 0.00 0.00 176.35 174.83 2k39 s HIS 68 N -2.24 2.09 -0.13 0.29 3.76 -1.09 0.77 115.29 118.75 2k39 s HIS 68 Ca 0.38 -0.40 -0.04 0.00 -0.15 0.00 0.00 55.06 54.85 2k39 s HIS 68 Cb -0.07 -1.03 0.07 0.00 1.11 0.00 0.00 32.58 32.66 2k39 s HIS 68 CO 0.26 0.44 0.23 -1.17 -0.85 0.00 0.00 174.74 173.65 2k39 s LEU 69 N -2.70 -0.20 -0.24 0.89 2.96 -1.20 -2.15 118.68 116.04 2k39 s LEU 69 Ca 0.19 0.35 -0.05 0.00 -0.22 0.00 0.00 54.13 54.40 2k39 s LEU 69 Cb -0.07 0.52 -0.01 0.00 0.50 0.00 0.00 46.19 47.13 2k39 s LEU 69 CO 0.09 -0.26 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.17 2k39 s VAL 70 N 2.37 3.66 0.38 1.68 1.01 -1.22 -3.98 120.40 124.30 2k39 s VAL 70 Ca 0.03 -0.44 -0.25 0.00 0.00 0.00 0.00 61.98 61.32 2k39 s VAL 70 Cb -0.13 -2.71 -0.09 0.00 0.00 0.00 0.00 36.38 33.46 2k39 s VAL 70 CO -0.08 0.36 1.04 -0.76 0.00 0.00 0.00 175.10 175.66 2k39 s LEU 71 N 1.51 4.19 0.48 3.92 1.02 -1.26 -1.36 118.68 127.18 2k39 s LEU 71 Ca 0.05 2.02 0.09 0.00 0.02 0.00 0.00 54.13 56.31 2k39 s LEU 71 Cb -0.15 -4.14 0.04 0.00 0.02 0.00 0.00 46.19 41.97 2k39 s LEU 71 CO -0.01 -0.42 0.65 -0.13 0.02 0.00 0.00 176.35 176.46 2k39 s ARG 72 N -2.39 2.60 1.05 1.70 0.52 0.19 -4.91 118.95 117.71 2k39 s ARG 72 Ca 0.56 -1.42 -0.16 0.00 -0.52 0.00 0.00 55.73 54.19 2k39 s ARG 72 Cb -0.22 -2.69 0.22 0.00 0.52 0.00 0.00 34.95 32.78 2k39 s ARG 72 CO 0.28 -0.50 1.17 -0.51 0.02 0.00 0.00 175.30 175.75 2k39 s LEU 73 N -4.47 1.64 0.19 2.53 1.43 -1.26 -4.85 118.68 113.89 2k39 s LEU 73 Ca 0.57 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.33 2k39 s LEU 73 Cb -0.08 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.48 2k39 s LEU 73 CO 0.35 -3.27 0.00 -1.14 0.23 0.00 0.00 176.35 172.52 2k39 n ARG 74 N -4.19 -4.32 0.00 1.70 0.63 -1.26 -4.67 116.66 104.54 2k39 n ARG 74 Ca 0.11 3.16 0.00 0.00 -0.92 0.00 0.00 57.85 60.20 2k39 n ARG 74 Cb 0.59 -3.31 0.00 0.00 0.45 0.00 0.00 32.46 30.19 2k39 n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k39 n GLY 75 N 1.26 3.63 0.00 5.14 0.00 -1.26 -4.23 105.19 109.74 2k39 n GLY 75 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.45 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93