#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 3.54 0.19 2.12 -0.44 -1.26 -0.05 119.66 123.75 2k39 s GLN 2 Ca 0.00 -0.56 0.07 0.00 -2.50 0.00 0.00 55.36 52.37 2k39 s GLN 2 Cb 0.00 -3.03 -0.04 0.00 -1.64 0.00 0.00 33.01 28.30 2k39 s GLN 2 CO 0.00 -0.02 0.02 0.96 0.50 0.00 0.00 175.29 176.74 2k39 s ILE 3 N 1.07 3.78 0.27 -2.34 -4.36 -1.25 0.04 121.20 118.41 2k39 s ILE 3 Ca 0.02 -1.45 0.09 0.00 -0.26 0.00 0.00 60.65 59.05 2k39 s ILE 3 Cb -0.14 -2.92 -0.04 0.00 1.25 0.00 0.00 42.46 40.60 2k39 s ILE 3 CO 0.01 -0.15 0.07 -0.36 0.24 0.00 0.00 174.94 174.75 2k39 s PHE 4 N -1.81 2.81 -0.06 1.37 0.08 -0.59 -3.66 117.98 116.12 2k39 s PHE 4 Ca 0.28 -0.21 0.05 0.00 0.12 0.00 0.00 56.93 57.17 2k39 s PHE 4 Cb -0.09 -1.30 -0.00 0.00 -0.57 0.00 0.00 43.02 41.06 2k39 s PHE 4 CO 0.19 0.56 -0.21 0.08 -0.10 0.00 0.00 175.22 175.75 2k39 s VAL 5 N -2.28 1.72 0.23 -0.44 1.01 0.33 -2.37 120.40 118.60 2k39 s VAL 5 Ca 0.33 -0.87 0.10 0.00 0.00 0.00 0.00 61.98 61.53 2k39 s VAL 5 Cb -0.06 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 2k39 s VAL 5 CO 0.22 0.49 -0.11 -0.75 0.00 0.00 0.00 175.10 174.95 2k39 s LYS 6 N 0.04 1.99 0.11 2.72 2.20 -0.82 -1.41 119.74 124.56 2k39 s LYS 6 Ca -0.06 -1.46 -0.09 0.00 -0.36 0.00 0.00 55.97 54.00 2k39 s LYS 6 Cb -0.13 -2.04 0.00 0.00 -1.51 0.00 0.00 37.83 34.15 2k39 s LYS 6 CO 0.04 0.39 0.23 -0.08 -0.36 0.00 0.00 175.35 175.56 2k39 s THR 7 N -2.08 0.12 0.13 3.43 -1.32 -1.20 -2.82 115.64 111.90 2k39 s THR 7 Ca 0.28 -1.16 0.02 0.00 -1.21 0.00 0.00 61.69 59.61 2k39 s THR 7 Cb -0.07 -1.42 0.17 0.00 -1.51 0.00 0.00 72.50 69.66 2k39 s THR 7 CO 0.16 -0.55 0.64 0.18 -2.21 0.00 0.00 174.62 172.84 2k39 n LEU 8 N -0.11 -0.03 0.15 9.08 4.77 -1.26 -2.18 117.00 127.43 2k39 n LEU 8 Ca -0.14 0.69 0.13 0.00 -0.03 0.00 0.00 56.01 56.66 2k39 n LEU 8 Cb 0.63 -0.26 0.33 0.00 -2.33 0.00 0.00 43.42 41.79 2k39 n LEU 8 CO 0.22 -0.71 0.86 0.71 -1.33 0.00 0.00 177.39 177.15 2k39 h THR 9 N 0.00 0.00 0.00 -5.08 1.35 -2.04 -3.46 112.91 103.68 2k39 h THR 9 Ca 0.26 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2k39 h THR 9 Cb 0.55 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2k39 h THR 9 CO -0.38 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.50 2k39 n GLY 10 N 1.14 0.83 3.61 5.82 0.00 -0.93 -5.08 105.19 110.59 2k39 n GLY 10 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 2k39 n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k39 n LYS 11 N -1.84 0.82 -4.18 1.61 4.81 -1.26 -4.88 118.16 113.24 2k39 n LYS 11 Ca 0.00 0.32 -0.19 0.00 -0.87 0.00 0.00 58.31 57.58 2k39 n LYS 11 Cb 0.00 -2.18 -0.12 0.00 0.02 0.00 0.00 35.03 32.75 2k39 n LYS 11 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2k39 s THR 12 N -1.56 1.14 -0.21 3.15 -4.23 -1.26 -3.21 115.64 109.46 2k39 s THR 12 Ca 0.76 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 2k39 s THR 12 Cb -0.40 -1.09 0.02 0.00 1.34 0.00 0.00 72.50 72.37 2k39 s THR 12 CO 0.47 -0.21 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.56 2k39 s ILE 13 N -1.26 2.35 -0.23 2.99 1.01 -0.50 -4.98 121.20 120.57 2k39 s ILE 13 Ca -0.02 -1.02 -0.07 0.00 0.00 0.00 0.00 60.65 59.54 2k39 s ILE 13 Cb -0.10 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 2k39 s ILE 13 CO 0.02 0.38 0.06 0.28 0.00 0.00 0.00 174.94 175.68 2k39 s THR 14 N 1.28 4.34 -0.09 2.92 -1.32 -1.26 -0.51 115.64 121.00 2k39 s THR 14 Ca 0.02 -0.17 0.01 0.00 -1.21 0.00 0.00 61.69 60.34 2k39 s THR 14 Cb -0.15 -3.01 -0.02 0.00 -1.51 0.00 0.00 72.50 67.81 2k39 s THR 14 CO -0.09 0.37 -0.12 -0.76 -2.21 0.00 0.00 174.62 171.81 2k39 s LEU 15 N 1.34 2.82 -0.48 9.08 1.43 -1.24 -5.07 118.68 126.56 2k39 s LEU 15 Ca 0.05 -0.23 -0.28 0.00 -1.03 0.00 0.00 54.13 52.64 2k39 s LEU 15 Cb -0.15 -1.61 0.03 0.00 0.03 0.00 0.00 46.19 44.49 2k39 s LEU 15 CO 0.03 0.26 1.09 -0.70 0.23 0.00 0.00 176.35 177.26 2k39 s GLU 16 N -0.20 3.67 0.04 1.70 2.56 -1.26 -3.79 118.70 121.41 2k39 s GLU 16 Ca 0.01 0.46 0.06 0.00 0.00 0.00 0.00 54.97 55.50 2k39 s GLU 16 Cb -0.13 -3.92 -0.03 0.00 2.00 0.00 0.00 34.13 32.05 2k39 s GLU 16 CO 0.03 -1.36 -0.15 0.14 -0.56 0.00 0.00 175.26 173.36 2k39 s VAL 17 N 4.32 3.01 -0.30 3.70 -7.23 0.92 -4.81 120.40 120.01 2k39 s VAL 17 Ca 0.45 -1.10 -0.10 0.00 -1.81 0.00 0.00 61.98 59.43 2k39 s VAL 17 Cb -0.08 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 2k39 s VAL 17 CO 0.31 0.34 0.16 -0.70 -0.31 0.00 0.00 175.10 174.89 2k39 s GLU 18 N -1.48 3.49 0.22 4.82 2.12 -1.26 -2.23 118.70 124.39 2k39 s GLU 18 Ca 0.16 -0.62 0.09 0.00 0.36 0.00 0.00 54.97 54.96 2k39 s GLU 18 Cb -0.11 -3.58 0.71 0.00 0.26 0.00 0.00 34.13 31.41 2k39 s GLU 18 CO 0.06 -0.35 0.99 -2.30 -0.54 0.00 0.00 175.26 173.12 2k39 n PRO 19 N 5.00 -0.04 0.00 4.30 -0.02 -1.26 -1.54 135.00 141.44 2k39 n PRO 19 Ca -0.14 0.90 0.14 0.00 -2.02 0.00 0.00 63.50 62.38 2k39 n PRO 19 Cb 0.50 -1.54 0.69 0.00 -0.02 0.00 0.00 33.50 33.13 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 -4.58 0.01 -4.70 2.55 3.41 -1.26 -1.49 113.62 107.57 2k39 n SER 20 Ca 0.20 0.15 -0.42 0.00 -0.26 0.00 0.00 58.87 58.54 2k39 n SER 20 Cb 0.69 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 2k39 n SER 20 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k39 s ASP 21 N -2.77 6.78 0.46 4.04 2.15 -0.59 -4.82 116.67 121.92 2k39 s ASP 21 Ca 0.22 2.27 -0.23 0.00 0.43 0.00 0.00 52.55 55.24 2k39 s ASP 21 Cb 0.20 -2.57 -0.07 0.00 -0.30 0.00 0.00 42.92 40.17 2k39 s ASP 21 CO 0.50 -0.74 1.15 0.42 -0.17 0.00 0.00 175.17 176.33 2k39 s THR 22 N 2.03 3.18 0.51 1.71 -4.23 -1.26 -3.24 115.64 114.33 2k39 s THR 22 Ca 0.66 0.86 0.27 0.00 -1.18 0.00 0.00 61.69 62.31 2k39 s THR 22 Cb -0.35 -3.43 0.45 0.00 1.34 0.00 0.00 72.50 70.51 2k39 s THR 22 CO 0.29 -0.03 1.90 0.40 -0.54 0.00 0.00 174.62 176.64 2k39 h ILE 23 N 1.82 0.61 0.06 2.99 1.08 -0.15 -1.64 117.51 122.28 2k39 h ILE 23 Ca -0.49 -0.03 -0.30 0.00 -0.39 0.00 0.00 64.86 63.64 2k39 h ILE 23 Cb 1.25 0.51 -0.03 0.00 -3.07 0.00 0.00 36.82 35.47 2k39 h ILE 23 CO 0.60 0.02 -1.66 1.05 -0.69 0.00 0.00 178.15 177.47 2k39 h GLU 24 N 0.10 0.12 -0.47 2.37 4.11 -1.88 -0.06 114.58 118.88 2k39 h GLU 24 Ca 0.41 -0.21 -0.06 0.00 0.07 0.00 0.00 59.36 59.57 2k39 h GLU 24 Cb 1.47 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.78 2k39 h GLU 24 CO -0.05 0.86 0.06 -0.97 0.07 0.00 0.00 179.01 178.98 2k39 h ASN 25 N 0.03 0.69 -0.08 3.06 -1.24 -1.78 -1.32 115.58 114.94 2k39 h ASN 25 Ca -0.28 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 56.59 2k39 h ASN 25 Cb 2.00 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 40.86 2k39 h ASN 25 CO 0.11 0.72 0.03 0.58 -1.29 0.00 0.00 177.43 177.58 2k39 h VAL 26 N 0.70 1.15 -0.20 2.57 2.07 -1.29 -2.02 116.25 119.23 2k39 h VAL 26 Ca 0.15 -0.46 0.06 0.00 0.82 0.00 0.00 66.70 67.27 2k39 h VAL 26 Cb 0.34 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2k39 h VAL 26 CO 0.01 0.13 0.16 0.11 0.02 0.00 0.00 177.57 178.00 2k39 h LYS 27 N -0.05 0.00 0.00 1.57 1.57 -0.75 -2.89 116.57 116.02 2k39 h LYS 27 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2k39 h LYS 27 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2k39 h LYS 27 CO -0.00 0.00 -0.69 0.00 -0.57 0.00 0.00 179.45 178.19 2k39 h ALA 28 N 1.88 0.62 0.00 3.86 0.00 -1.15 -1.74 119.26 122.72 2k39 h ALA 28 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 2k39 h ALA 28 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2k39 h ALA 28 CO -0.00 0.00 -1.52 1.63 0.00 0.00 0.00 179.25 179.36 2k39 n LYS 29 N -2.53 0.62 0.12 0.00 5.02 -0.77 -3.85 118.16 116.77 2k39 n LYS 29 Ca 0.02 0.24 -0.02 0.00 -2.02 0.00 0.00 58.31 56.52 2k39 n LYS 29 Cb 0.51 -1.80 0.19 0.00 -0.02 0.00 0.00 35.03 33.91 2k39 n LYS 29 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2k39 h ILE 30 N 0.00 1.38 -0.63 -0.18 2.04 -1.49 -3.12 117.51 115.50 2k39 h ILE 30 Ca -0.20 -1.86 0.06 0.00 1.00 0.00 0.00 64.86 63.86 2k39 h ILE 30 Cb 1.71 1.96 -0.06 0.00 -0.74 0.00 0.00 36.82 39.69 2k39 h ILE 30 CO 0.05 0.54 0.33 -0.61 0.00 0.00 0.00 178.15 178.47 2k39 h GLN 31 N 0.10 0.60 -0.23 2.37 4.15 -1.43 0.13 115.11 120.80 2k39 h GLN 31 Ca -0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 2k39 h GLN 31 Cb 0.99 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.54 2k39 h GLN 31 CO 0.08 0.39 0.14 0.22 -1.93 0.00 0.00 178.83 177.74 2k39 h ASP 32 N 0.61 0.27 0.05 -0.69 3.58 -1.65 0.11 116.42 118.70 2k39 h ASP 32 Ca 0.29 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.71 2k39 h ASP 32 Cb 0.21 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2k39 h ASP 32 CO -0.19 0.21 -0.02 0.11 -2.88 0.00 0.00 179.24 176.46 2k39 h LYS 33 N 0.29 -0.07 0.04 0.28 1.79 -1.49 -3.41 116.57 114.01 2k39 h LYS 33 Ca 0.08 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.26 2k39 h LYS 33 Cb -0.01 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 2k39 h LYS 33 CO -0.02 -0.04 -1.65 0.93 -1.08 0.00 0.00 179.45 177.59 2k39 h GLU 34 N -0.10 0.09 0.00 3.15 4.39 -0.82 -3.49 114.58 117.80 2k39 h GLU 34 Ca -0.01 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.53 2k39 h GLU 34 Cb 0.05 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2k39 h GLU 34 CO 0.01 0.79 0.00 0.41 -1.16 0.00 0.00 179.01 179.06 2k39 n GLY 35 N 1.63 0.93 3.78 -3.84 0.00 0.03 -5.05 105.19 102.68 2k39 n GLY 35 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 5.14 0.40 -0.61 1.01 -1.26 -5.02 121.20 118.87 2k39 s ILE 36 Ca 0.00 0.80 -0.23 0.00 0.00 0.00 0.00 60.65 61.22 2k39 s ILE 36 Cb 0.00 -3.72 -0.10 0.00 0.01 0.00 0.00 42.46 38.65 2k39 s ILE 36 CO 0.00 0.47 0.97 -2.16 0.00 0.00 0.00 174.94 174.22 2k39 s PRO 37 N -0.27 4.27 0.52 2.79 0.04 -1.26 -4.21 135.00 136.88 2k39 s PRO 37 Ca 0.23 1.25 0.26 0.00 0.04 0.00 0.00 61.00 62.77 2k39 s PRO 37 Cb -0.15 -2.38 1.38 0.00 0.04 0.00 0.00 34.50 33.39 2k39 s PRO 37 CO 0.10 -0.00 1.97 -1.35 0.04 0.00 0.00 177.00 177.76 2k39 h PRO 38 N 2.28 0.03 0.00 0.56 0.11 -1.97 -2.77 132.00 130.25 2k39 h PRO 38 Ca -0.48 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2k39 h PRO 38 Cb 1.19 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2k39 h PRO 38 CO 0.62 0.02 -0.06 0.22 -0.21 0.00 0.00 178.00 178.59 2k39 h ASP 39 N 0.04 0.00 0.56 -2.05 3.58 -1.97 -1.44 116.42 115.13 2k39 h ASP 39 Ca 0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.74 2k39 h ASP 39 Cb 1.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2k39 h ASP 39 CO -0.01 0.06 -0.73 0.00 -2.88 0.00 0.00 179.24 175.67 2k39 n GLN 40 N -4.03 0.18 -3.10 0.28 6.02 -1.05 -4.83 117.38 110.85 2k39 n GLN 40 Ca -0.03 0.02 -0.40 0.00 -0.01 0.00 0.00 57.00 56.58 2k39 n GLN 40 Cb 0.15 -1.59 -0.06 0.00 1.02 0.00 0.00 30.24 29.76 2k39 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2k39 s GLN 41 N -3.11 4.17 -0.45 -1.09 -1.52 -0.54 -1.17 119.66 115.93 2k39 s GLN 41 Ca 0.07 0.61 -0.23 0.00 -1.95 0.00 0.00 55.36 53.86 2k39 s GLN 41 Cb 0.15 -3.61 0.03 0.00 -0.22 0.00 0.00 33.01 29.35 2k39 s GLN 41 CO 0.75 -0.33 0.80 1.03 -0.25 0.00 0.00 175.29 177.28 2k39 s ARG 42 N 2.23 3.42 -0.85 2.91 1.81 0.15 -4.82 118.95 123.80 2k39 s ARG 42 Ca 0.28 -0.08 -0.18 0.00 -1.72 0.00 0.00 55.73 54.03 2k39 s ARG 42 Cb -0.16 -3.94 0.14 0.00 -0.45 0.00 0.00 34.95 30.55 2k39 s ARG 42 CO 0.09 -1.13 1.00 -0.51 -0.68 0.00 0.00 175.30 174.08 2k39 s LEU 43 N 3.33 5.35 -0.10 2.53 1.43 -1.26 -0.98 118.68 128.98 2k39 s LEU 43 Ca 0.30 -2.00 -0.11 0.00 -1.03 0.00 0.00 54.13 51.29 2k39 s LEU 43 Cb -0.12 -2.35 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 2k39 s LEU 43 CO 0.23 -1.01 0.26 -0.63 0.23 0.00 0.00 176.35 175.43 2k39 s ILE 44 N 2.34 5.30 0.00 -0.59 1.01 -0.71 -3.24 121.20 125.31 2k39 s ILE 44 Ca 0.27 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.41 2k39 s ILE 44 Cb -0.09 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.82 2k39 s ILE 44 CO -0.06 0.54 0.00 0.33 0.00 0.00 0.00 174.94 175.75 2k39 n PHE 45 N 2.40 0.00 -0.33 3.97 7.35 -0.27 -0.27 117.46 130.32 2k39 n PHE 45 Ca -0.16 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.26 2k39 n PHE 45 Cb 0.53 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.29 2k39 n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k39 n ALA 46 N -3.00 0.86 0.00 3.13 0.00 -1.26 -3.72 120.51 116.52 2k39 n ALA 46 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 53.44 51.82 2k39 n ALA 46 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 19.45 16.31 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 4.56 1.72 3.71 0.00 0.00 -1.26 -5.00 105.19 108.92 2k39 n GLY 47 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 4.47 -0.48 1.61 1.02 -1.24 -4.98 119.74 120.14 2k39 s LYS 48 Ca 0.00 1.17 -0.21 0.00 0.02 0.00 0.00 55.97 56.95 2k39 s LYS 48 Cb 0.00 -3.47 0.04 0.00 -0.52 0.00 0.00 37.83 33.87 2k39 s LYS 48 CO 0.00 -0.06 0.72 -0.65 -0.92 0.00 0.00 175.35 174.44 2k39 s GLN 49 N 1.14 3.27 -0.35 1.68 1.11 -1.26 -1.11 119.66 124.14 2k39 s GLN 49 Ca 0.45 -0.44 -0.28 0.00 0.01 0.00 0.00 55.36 55.10 2k39 s GLN 49 Cb -0.19 -4.01 -0.04 0.00 -1.01 0.00 0.00 33.01 27.77 2k39 s GLN 49 CO 0.22 -1.18 2.02 -0.51 0.01 0.00 0.00 175.29 175.85 2k39 s LEU 50 N 3.08 3.44 0.24 2.90 1.43 -1.20 -4.98 118.68 123.59 2k39 s LEU 50 Ca 0.23 1.35 -0.25 0.00 -1.03 0.00 0.00 54.13 54.43 2k39 s LEU 50 Cb -0.15 -3.26 -0.09 0.00 0.03 0.00 0.00 46.19 42.72 2k39 s LEU 50 CO 0.18 -2.03 0.85 -0.70 0.23 0.00 0.00 176.35 174.87 2k39 s GLU 51 N 6.40 4.57 -0.32 1.70 2.56 -1.26 -4.78 118.70 127.56 2k39 s GLU 51 Ca 0.87 1.21 -0.28 0.00 0.00 0.00 0.00 54.97 56.77 2k39 s GLU 51 Cb -0.24 -3.05 -0.02 0.00 2.00 0.00 0.00 34.13 32.82 2k39 s GLU 51 CO 0.32 0.44 1.80 -0.51 -0.56 0.00 0.00 175.26 176.75 2k39 s ASP 52 N -1.39 5.90 0.00 -1.70 1.01 -1.26 -1.95 116.67 117.28 2k39 s ASP 52 Ca 0.42 1.32 0.00 0.00 0.71 0.00 0.00 52.55 55.00 2k39 s ASP 52 Cb -0.21 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.19 2k39 s ASP 52 CO 0.26 -1.70 0.00 0.61 0.21 0.00 0.00 175.17 174.55 2k39 n GLY 53 N 5.42 0.10 3.80 0.21 0.00 -1.26 -4.93 105.19 108.53 2k39 n GLY 53 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.98 3.46 0.91 1.61 1.81 -0.82 -4.70 118.95 120.25 2k39 s ARG 54 Ca 0.00 1.22 -0.15 0.00 -1.72 0.00 0.00 55.73 55.08 2k39 s ARG 54 Cb 0.00 -2.05 0.21 0.00 -0.45 0.00 0.00 34.95 32.66 2k39 s ARG 54 CO 0.00 -0.70 1.11 0.25 -0.68 0.00 0.00 175.30 175.28 2k39 n THR 55 N -1.77 0.00 0.08 0.02 -2.24 -1.26 0.56 114.28 109.67 2k39 n THR 55 Ca 0.09 -0.74 -0.19 0.00 -2.27 0.00 0.00 64.05 60.93 2k39 n THR 55 Cb 0.53 -1.48 -0.10 0.00 -2.10 0.00 0.00 70.33 67.18 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 0.76 -2.35 3.22 3.38 -1.51 -3.21 115.31 115.60 2k39 h LEU 56 Ca -0.37 -0.67 -0.01 0.00 0.09 0.00 0.00 57.88 56.92 2k39 h LEU 56 Cb 1.05 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 2k39 h LEU 56 CO 0.26 1.48 -0.04 -1.28 0.09 0.00 0.00 178.44 178.95 2k39 h SER 57 N 0.27 0.00 0.02 -0.43 0.87 -1.59 0.50 113.55 113.19 2k39 h SER 57 Ca -0.15 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.28 2k39 h SER 57 Cb 1.80 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.75 2k39 h SER 57 CO 0.21 0.04 -0.45 0.44 -0.53 0.00 0.00 176.83 176.54 2k39 h ASP 58 N 0.00 0.55 -0.61 6.23 3.32 -1.85 -2.37 116.42 121.69 2k39 h ASP 58 Ca -0.00 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.79 2k39 h ASP 58 Cb 0.15 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2k39 h ASP 58 CO 0.01 0.92 0.00 -1.22 -1.72 0.00 0.00 179.24 177.23 2k39 n TYR 59 N -4.00 0.81 -3.81 4.55 4.01 -0.97 -4.99 117.16 112.76 2k39 n TYR 59 Ca -0.02 -0.42 -0.25 0.00 -0.16 0.00 0.00 57.90 57.05 2k39 n TYR 59 Cb 0.54 -0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.59 2k39 n TYR 59 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2k39 n ASN 60 N 1.57 -2.39 -4.59 7.72 6.94 0.12 -4.91 115.26 119.72 2k39 n ASN 60 Ca 0.22 -0.83 -0.41 0.00 -0.02 0.00 0.00 54.58 53.55 2k39 n ASN 60 Cb 0.61 -3.86 -0.07 0.00 -2.36 0.00 0.00 39.78 34.09 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2k39 s ILE 61 N -3.57 5.02 0.42 1.53 1.01 -0.92 -5.00 121.20 119.70 2k39 s ILE 61 Ca 0.25 0.67 0.07 0.00 0.00 0.00 0.00 60.65 61.63 2k39 s ILE 61 Cb -0.13 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.44 2k39 s ILE 61 CO 0.83 -0.08 0.58 -1.10 0.00 0.00 0.00 174.94 175.18 2k39 s GLN 62 N 2.41 2.85 0.54 2.79 -0.21 -1.26 -4.85 119.66 121.93 2k39 s GLN 62 Ca 0.21 -1.11 -0.16 0.00 0.02 0.00 0.00 55.36 54.32 2k39 s GLN 62 Cb -0.15 -2.73 -0.13 0.00 1.00 0.00 0.00 33.01 31.00 2k39 s GLN 62 CO 0.11 -0.27 -0.24 0.36 -2.12 0.00 0.00 175.29 173.13 2k39 n LYS 63 N -1.89 0.00 -0.01 2.91 2.85 -1.26 -3.66 118.16 117.10 2k39 n LYS 63 Ca 0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 2k39 n LYS 63 Cb 0.59 -0.89 0.00 0.00 -0.65 0.00 0.00 35.03 34.07 2k39 n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2k39 n GLU 64 N 1.54 0.00 -1.86 -1.58 -0.58 0.11 -4.95 120.64 113.32 2k39 n GLU 64 Ca 0.05 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.37 2k39 n GLU 64 Cb 0.44 -1.88 -0.03 0.00 -0.57 0.00 0.00 31.44 29.41 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2k39 s SER 65 N -3.70 6.50 -0.33 1.62 0.01 -1.24 -4.71 113.70 111.84 2k39 s SER 65 Ca 0.00 2.77 -0.06 0.00 1.31 0.00 0.00 55.95 59.96 2k39 s SER 65 Cb 0.00 -2.61 0.03 0.00 0.21 0.00 0.00 66.02 63.65 2k39 s SER 65 CO 0.00 -0.86 0.10 -0.89 0.41 0.00 0.00 173.24 172.00 2k39 s THR 66 N 0.68 3.82 0.30 1.44 2.01 -1.26 -1.55 115.64 121.08 2k39 s THR 66 Ca 0.68 -1.03 -0.20 0.00 0.31 0.00 0.00 61.69 61.44 2k39 s THR 66 Cb -0.46 -3.12 -0.09 0.00 0.01 0.00 0.00 72.50 68.84 2k39 s THR 66 CO 0.37 -0.12 0.81 -0.76 -0.69 0.00 0.00 174.62 174.24 2k39 s LEU 67 N 1.42 4.23 -0.37 4.42 1.02 -1.00 -4.88 118.68 123.53 2k39 s LEU 67 Ca -0.01 1.53 -0.11 0.00 0.02 0.00 0.00 54.13 55.56 2k39 s LEU 67 Cb -0.19 -3.93 0.02 0.00 0.02 0.00 0.00 46.19 42.11 2k39 s LEU 67 CO 0.03 -0.10 0.21 -2.28 0.02 0.00 0.00 176.35 174.23 2k39 s HIS 68 N -1.73 3.23 -0.09 0.29 5.65 0.63 -1.95 115.29 121.33 2k39 s HIS 68 Ca 0.50 -0.84 -0.19 0.00 0.25 0.00 0.00 55.06 54.77 2k39 s HIS 68 Cb -0.15 -2.45 -0.04 0.00 -1.18 0.00 0.00 32.58 28.76 2k39 s HIS 68 CO 0.20 -0.61 0.52 -1.17 -0.65 0.00 0.00 174.74 173.03 2k39 s LEU 69 N 1.58 4.32 0.22 8.88 0.20 -1.13 -1.74 118.68 131.01 2k39 s LEU 69 Ca 0.03 0.93 -0.08 0.00 0.69 0.00 0.00 54.13 55.69 2k39 s LEU 69 Cb -0.19 -2.77 -0.02 0.00 -0.43 0.00 0.00 46.19 42.78 2k39 s LEU 69 CO 0.07 0.02 0.33 0.68 -0.29 0.00 0.00 176.35 177.17 2k39 s VAL 70 N 0.41 0.01 -0.13 1.68 -7.23 -0.15 -4.78 120.40 110.20 2k39 s VAL 70 Ca 0.28 -1.61 -0.17 0.00 -1.81 0.00 0.00 61.98 58.67 2k39 s VAL 70 Cb -0.16 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 2k39 s VAL 70 CO 0.13 -0.05 0.44 -0.22 -0.31 0.00 0.00 175.10 175.09 2k39 s LEU 71 N -3.06 4.26 -0.69 1.32 2.96 -1.26 0.30 118.68 122.50 2k39 s LEU 71 Ca 0.27 0.73 -0.26 0.00 -0.22 0.00 0.00 54.13 54.66 2k39 s LEU 71 Cb 0.03 -2.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.06 2k39 s LEU 71 CO 0.09 0.01 1.90 -0.60 -1.32 0.00 0.00 176.35 176.43 2k39 s ARG 72 N 0.68 2.58 -0.54 1.98 3.52 -0.32 -4.77 118.95 122.08 2k39 s ARG 72 Ca 0.24 0.37 -0.18 0.00 -0.13 0.00 0.00 55.73 56.03 2k39 s ARG 72 Cb -0.15 -4.59 0.09 0.00 -1.56 0.00 0.00 34.95 28.74 2k39 s ARG 72 CO 0.09 -2.95 0.60 -0.51 -0.81 0.00 0.00 175.30 171.72 2k39 s LEU 73 N 9.50 5.47 0.00 -0.88 1.43 -1.26 -4.73 118.68 128.22 2k39 s LEU 73 Ca 0.69 -1.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 2k39 s LEU 73 Cb -0.11 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.81 2k39 s LEU 73 CO 0.14 -0.94 0.00 -1.14 0.23 0.00 0.00 176.35 174.65 2k39 n ARG 74 N 5.91 0.00 0.00 1.70 0.63 -1.26 -4.97 116.66 118.68 2k39 n ARG 74 Ca -0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 2k39 n ARG 74 Cb 0.43 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.34 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 0.00 -2.42 0.00 5.14 0.00 -1.26 -5.22 105.19 101.43 2k39 n GLY 75 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93