#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 3.66 0.18 3.17 -0.21 -1.26 -1.24 119.66 123.96 2k39 s GLN 2 Ca 0.00 0.35 0.07 0.00 0.02 0.00 0.00 55.36 55.80 2k39 s GLN 2 Cb 0.00 -2.37 -0.04 0.00 1.00 0.00 0.00 33.01 31.59 2k39 s GLN 2 CO 0.00 -0.14 -0.14 0.96 -2.12 0.00 0.00 175.29 173.85 2k39 s ILE 3 N -2.57 1.64 -0.07 1.08 -4.36 -0.31 -0.37 121.20 116.24 2k39 s ILE 3 Ca 0.49 -2.09 0.02 0.00 -0.26 0.00 0.00 60.65 58.82 2k39 s ILE 3 Cb -0.10 -1.93 -0.02 0.00 1.25 0.00 0.00 42.46 41.65 2k39 s ILE 3 CO 0.39 -0.55 -0.13 -0.36 0.24 0.00 0.00 174.94 174.53 2k39 s PHE 4 N -2.77 2.76 -0.23 1.37 0.08 0.44 -1.39 117.98 118.23 2k39 s PHE 4 Ca 0.19 -0.22 -0.00 0.00 0.12 0.00 0.00 56.93 57.03 2k39 s PHE 4 Cb -0.02 -1.68 0.03 0.00 -0.57 0.00 0.00 43.02 40.78 2k39 s PHE 4 CO 0.06 0.14 -0.11 0.08 -0.10 0.00 0.00 175.22 175.28 2k39 s VAL 5 N -0.54 2.52 0.06 -0.44 1.01 -0.37 -0.94 120.40 121.70 2k39 s VAL 5 Ca 0.08 -1.10 -0.25 0.00 0.00 0.00 0.00 61.98 60.70 2k39 s VAL 5 Cb -0.12 -2.25 -0.06 0.00 0.00 0.00 0.00 36.38 33.95 2k39 s VAL 5 CO 0.02 0.26 0.77 -0.54 0.00 0.00 0.00 175.10 175.61 2k39 s LYS 6 N 1.28 4.51 0.74 2.72 -0.14 -0.72 -0.26 119.74 127.86 2k39 s LYS 6 Ca -0.00 1.09 -0.09 0.00 -1.36 0.00 0.00 55.97 55.60 2k39 s LYS 6 Cb -0.16 -3.35 0.06 0.00 -1.68 0.00 0.00 37.83 32.70 2k39 s LYS 6 CO -0.07 0.32 1.09 0.95 -0.76 0.00 0.00 175.35 176.88 2k39 s THR 7 N -0.21 2.37 -0.24 2.17 -4.23 -0.58 -3.89 115.64 111.04 2k39 s THR 7 Ca 0.38 -0.06 0.21 0.00 -1.18 0.00 0.00 61.69 61.05 2k39 s THR 7 Cb -0.21 -3.08 0.03 0.00 1.34 0.00 0.00 72.50 70.58 2k39 s THR 7 CO 0.24 -0.10 1.11 -0.07 -0.54 0.00 0.00 174.62 175.26 2k39 h LEU 8 N -0.78 0.00 -1.05 4.79 3.38 -1.88 -3.25 115.31 116.52 2k39 h LEU 8 Ca -0.45 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.42 2k39 h LEU 8 Cb 1.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 2k39 h LEU 8 CO 0.63 0.13 -0.43 0.71 0.09 0.00 0.00 178.44 179.57 2k39 h THR 9 N 0.00 1.32 0.00 0.22 1.35 -2.01 -3.47 112.91 110.32 2k39 h THR 9 Ca -0.03 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 2k39 h THR 9 Cb 1.12 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 2k39 h THR 9 CO 0.01 0.44 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 2k39 n GLY 10 N -0.23 0.48 3.72 5.82 0.00 -1.23 -5.11 105.19 108.65 2k39 n GLY 10 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 4.39 -0.12 1.61 2.20 -1.26 -4.93 119.74 121.63 2k39 s LYS 11 Ca 0.00 0.70 -0.21 0.00 -0.36 0.00 0.00 55.97 56.10 2k39 s LYS 11 Cb 0.00 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 2k39 s LYS 11 CO 0.00 0.12 0.60 0.99 -0.36 0.00 0.00 175.35 176.70 2k39 s THR 12 N 0.66 5.10 -0.14 3.43 2.01 -1.26 -1.53 115.64 123.91 2k39 s THR 12 Ca 0.32 1.20 -0.10 0.00 0.31 0.00 0.00 61.69 63.43 2k39 s THR 12 Cb -0.17 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 2k39 s THR 12 CO 0.15 0.25 0.19 -0.63 -0.69 0.00 0.00 174.62 173.89 2k39 s ILE 13 N 0.98 5.40 -0.13 1.82 -1.09 0.64 -4.97 121.20 123.85 2k39 s ILE 13 Ca 0.31 0.32 -0.08 0.00 -2.23 0.00 0.00 60.65 58.98 2k39 s ILE 13 Cb -0.16 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 2k39 s ILE 13 CO 0.13 0.52 0.14 -0.89 -1.23 0.00 0.00 174.94 173.62 2k39 s THR 14 N -0.36 5.48 0.01 2.92 2.01 -1.26 -1.24 115.64 123.20 2k39 s THR 14 Ca 0.14 0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.39 2k39 s THR 14 Cb -0.12 -3.42 -0.01 0.00 0.01 0.00 0.00 72.50 68.96 2k39 s THR 14 CO 0.03 0.58 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.67 2k39 s LEU 15 N -0.77 2.08 -0.23 4.42 1.43 -0.49 -4.99 118.68 120.14 2k39 s LEU 15 Ca 0.14 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 2k39 s LEU 15 Cb -0.12 -0.56 0.06 0.00 0.03 0.00 0.00 46.19 45.60 2k39 s LEU 15 CO 0.03 0.08 -0.07 -0.70 0.23 0.00 0.00 176.35 175.93 2k39 s GLU 16 N -0.61 1.78 0.05 1.70 2.12 -1.26 -1.16 118.70 121.32 2k39 s GLU 16 Ca 0.03 -1.03 -0.01 0.00 0.36 0.00 0.00 54.97 54.32 2k39 s GLU 16 Cb -0.06 -2.62 -0.04 0.00 0.26 0.00 0.00 34.13 31.68 2k39 s GLU 16 CO 0.00 -0.57 -0.03 0.14 -0.54 0.00 0.00 175.26 174.26 2k39 s VAL 17 N 1.34 0.27 0.19 3.70 -7.23 -0.37 -4.94 120.40 113.36 2k39 s VAL 17 Ca -0.06 -1.72 -0.02 0.00 -1.81 0.00 0.00 61.98 58.37 2k39 s VAL 17 Cb -0.19 -1.40 -0.05 0.00 0.56 0.00 0.00 36.38 35.31 2k39 s VAL 17 CO -0.06 -0.92 0.39 -1.61 -0.31 0.00 0.00 175.10 172.59 2k39 s GLU 18 N -3.62 3.54 0.00 4.82 0.41 -1.26 -0.27 118.70 122.32 2k39 s GLU 18 Ca 0.05 -0.27 0.25 0.00 -0.41 0.00 0.00 54.97 54.58 2k39 s GLU 18 Cb 0.06 -2.84 1.20 0.00 -1.78 0.00 0.00 34.13 30.77 2k39 s GLU 18 CO -0.08 0.41 1.82 -0.35 -0.49 0.00 0.00 175.26 176.56 2k39 n PRO 19 N -0.50 0.27 -0.20 0.39 -0.04 -1.26 -1.91 135.00 131.75 2k39 n PRO 19 Ca -0.04 0.06 0.10 0.00 -0.04 0.00 0.00 63.50 63.58 2k39 n PRO 19 Cb 0.53 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.76 2k39 n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2k39 n SER 20 N -1.33 2.68 -4.74 3.54 7.64 -1.26 -0.44 113.62 119.70 2k39 n SER 20 Ca 0.10 -1.92 -0.40 0.00 1.01 0.00 0.00 58.87 57.66 2k39 n SER 20 Cb 0.22 -0.26 -0.05 0.00 -1.01 0.00 0.00 64.21 63.11 2k39 n SER 20 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k39 s ASP 21 N -1.29 7.52 0.19 6.43 -1.08 -0.81 -4.85 116.67 122.79 2k39 s ASP 21 Ca 0.35 1.80 -0.09 0.00 -0.52 0.00 0.00 52.55 54.10 2k39 s ASP 21 Cb 0.19 -2.57 -0.07 0.00 -1.46 0.00 0.00 42.92 39.01 2k39 s ASP 21 CO 0.27 0.06 0.50 0.42 0.52 0.00 0.00 175.17 176.94 2k39 s THR 22 N -0.61 4.99 0.50 1.71 -4.23 -1.26 -3.51 115.64 113.24 2k39 s THR 22 Ca 0.42 0.38 0.34 0.00 -1.18 0.00 0.00 61.69 61.66 2k39 s THR 22 Cb -0.24 -3.63 0.53 0.00 1.34 0.00 0.00 72.50 70.51 2k39 s THR 22 CO 0.30 -0.00 1.76 0.40 -0.54 0.00 0.00 174.62 176.53 2k39 h ILE 23 N 2.11 0.36 0.00 2.99 5.03 -1.04 -1.13 117.51 125.83 2k39 h ILE 23 Ca -0.47 -0.03 -0.08 0.00 -0.12 0.00 0.00 64.86 64.16 2k39 h ILE 23 Cb 1.17 0.26 -0.01 0.00 -3.03 0.00 0.00 36.82 35.21 2k39 h ILE 23 CO 0.70 0.02 -0.38 -0.08 -0.68 0.00 0.00 178.15 177.72 2k39 h GLU 24 N 0.09 0.00 0.09 2.37 4.81 -1.88 0.15 114.58 120.21 2k39 h GLU 24 Ca 0.64 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.60 2k39 h GLU 24 Cb 2.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.67 2k39 h GLU 24 CO -0.11 0.38 -1.27 -0.97 -0.73 0.00 0.00 179.01 176.32 2k39 h ASN 25 N 0.00 0.31 -0.53 1.04 -1.24 -1.60 -3.29 115.58 110.27 2k39 h ASN 25 Ca -0.00 -0.35 0.02 0.00 0.71 0.00 0.00 56.30 56.67 2k39 h ASN 25 Cb 0.76 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.68 2k39 h ASN 25 CO 0.05 1.28 0.33 0.58 -1.29 0.00 0.00 177.43 178.38 2k39 h VAL 26 N 0.05 1.09 -1.00 2.57 2.07 -1.09 -2.54 116.25 117.40 2k39 h VAL 26 Ca -0.14 -0.23 0.21 0.00 0.82 0.00 0.00 66.70 67.37 2k39 h VAL 26 Cb 1.94 0.37 -0.10 0.00 -1.52 0.00 0.00 31.29 31.98 2k39 h VAL 26 CO 0.17 0.12 0.62 0.11 0.02 0.00 0.00 177.57 178.61 2k39 h LYS 27 N 0.66 0.62 0.00 1.57 1.57 -1.05 -3.14 116.57 116.80 2k39 h LYS 27 Ca 0.20 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 2k39 h LYS 27 Cb -0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 2k39 h LYS 27 CO -0.07 0.41 -0.73 0.00 -0.57 0.00 0.00 179.45 178.48 2k39 h ALA 28 N 1.65 0.69 0.00 3.86 0.00 -1.52 -3.08 119.26 120.86 2k39 h ALA 28 Ca 0.58 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 2k39 h ALA 28 Cb 1.07 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2k39 h ALA 28 CO -0.35 0.54 -0.62 0.87 0.00 0.00 0.00 179.25 179.69 2k39 h LYS 29 N 0.00 0.00 0.13 0.00 1.57 -1.47 -2.99 116.57 113.80 2k39 h LYS 29 Ca -0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2k39 h LYS 29 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 2k39 h LYS 29 CO 0.04 0.62 -0.06 0.82 -0.57 0.00 0.00 179.45 180.30 2k39 h ILE 30 N 0.00 1.04 -0.71 1.86 2.04 -1.58 -2.19 117.51 117.96 2k39 h ILE 30 Ca -0.01 -1.06 0.22 0.00 1.00 0.00 0.00 64.86 65.01 2k39 h ILE 30 Cb 1.13 1.66 -0.13 0.00 -0.74 0.00 0.00 36.82 38.74 2k39 h ILE 30 CO 0.08 0.24 0.09 1.67 0.00 0.00 0.00 178.15 180.23 2k39 n GLN 31 N -4.93 -0.05 -0.03 2.37 -0.06 -1.17 -1.70 117.38 111.81 2k39 n GLN 31 Ca -0.08 1.05 -0.16 0.00 -2.00 0.00 0.00 57.00 55.81 2k39 n GLN 31 Cb 0.26 -1.71 -0.09 0.00 -4.06 0.00 0.00 30.24 24.64 2k39 n GLN 31 CO 0.00 0.00 0.00 0.22 -0.20 0.00 0.00 177.06 177.08 2k39 h ASP 32 N 0.00 0.48 -0.03 1.69 3.58 -1.37 -2.88 116.42 117.88 2k39 h ASP 32 Ca 0.47 -0.66 -0.06 0.00 0.42 0.00 0.00 57.03 57.19 2k39 h ASP 32 Cb 1.03 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.94 2k39 h ASP 32 CO -0.64 1.07 -0.22 0.11 -2.88 0.00 0.00 179.24 176.67 2k39 h LYS 33 N -0.07 0.21 0.00 0.28 1.57 -0.94 -3.42 116.57 114.20 2k39 h LYS 33 Ca -0.03 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2k39 h LYS 33 Cb 1.07 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2k39 h LYS 33 CO 0.08 0.85 -0.07 0.39 -0.57 0.00 0.00 179.45 180.14 2k39 n GLU 34 N -4.53 0.59 -0.11 3.15 -0.58 -0.69 -5.05 120.64 113.42 2k39 n GLU 34 Ca -0.09 -0.83 0.00 0.00 -0.42 0.00 0.00 57.16 55.82 2k39 n GLU 34 Cb 0.46 -0.63 0.00 0.00 -0.57 0.00 0.00 31.44 30.70 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 -0.15 1.81 3.71 0.62 0.00 -1.09 -4.99 105.19 105.10 2k39 n GLY 35 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2k39 n GLY 35 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k39 n ILE 36 N -2.00 0.35 -2.79 -0.61 5.41 -1.26 -4.96 119.36 113.50 2k39 n ILE 36 Ca 0.00 -0.09 -0.33 0.00 1.00 0.00 0.00 62.75 63.33 2k39 n ILE 36 Cb 0.00 -1.87 -0.07 0.00 -0.71 0.00 0.00 39.64 36.99 2k39 n ILE 36 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2k39 s PRO 37 N 0.55 4.19 0.24 0.38 0.04 -1.26 -3.64 135.00 135.50 2k39 s PRO 37 Ca 0.72 1.08 0.08 0.00 0.04 0.00 0.00 61.00 62.92 2k39 s PRO 37 Cb -0.54 -2.19 0.26 0.00 0.04 0.00 0.00 34.50 32.07 2k39 s PRO 37 CO 0.39 -0.05 1.56 -1.00 0.04 0.00 0.00 177.00 177.94 2k39 h PRO 38 N 1.81 0.07 0.00 0.56 0.13 -1.96 -3.35 132.00 129.27 2k39 h PRO 38 Ca -0.49 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2k39 h PRO 38 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2k39 h PRO 38 CO 0.61 0.71 0.00 -3.47 -0.23 0.00 0.00 178.00 175.62 2k39 n ASP 39 N -3.77 0.00 -0.10 1.44 2.03 -1.26 -2.62 116.55 112.26 2k39 n ASP 39 Ca -0.02 -0.28 -0.11 0.00 0.52 0.00 0.00 54.79 54.90 2k39 n ASP 39 Cb 0.66 -0.18 -0.16 0.00 -0.72 0.00 0.00 41.12 40.72 2k39 n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k39 n GLN 40 N -1.18 0.69 -2.44 -0.67 6.02 -1.26 -4.70 117.38 113.84 2k39 n GLN 40 Ca 0.13 0.01 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 2k39 n GLN 40 Cb 0.14 -1.52 -0.02 0.00 1.02 0.00 0.00 30.24 29.86 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 -2.49 4.11 -0.35 -1.09 -0.21 -1.08 -0.70 119.66 117.85 2k39 s GLN 41 Ca -0.13 1.48 -0.12 0.00 0.02 0.00 0.00 55.36 56.61 2k39 s GLN 41 Cb 0.06 -3.80 0.00 0.00 1.00 0.00 0.00 33.01 30.27 2k39 s GLN 41 CO 0.80 -0.87 0.22 0.50 -2.12 0.00 0.00 175.29 173.82 2k39 s ARG 42 N 3.75 3.22 0.31 2.91 3.52 0.01 -4.96 118.95 127.71 2k39 s ARG 42 Ca 0.55 -0.82 -0.14 0.00 -0.13 0.00 0.00 55.73 55.19 2k39 s ARG 42 Cb -0.19 -3.76 -0.08 0.00 -1.56 0.00 0.00 34.95 29.36 2k39 s ARG 42 CO 0.17 -0.54 0.70 -0.51 -0.81 0.00 0.00 175.30 174.31 2k39 s LEU 43 N 1.65 4.07 -0.02 -0.88 1.02 -1.26 0.13 118.68 123.39 2k39 s LEU 43 Ca 0.05 1.20 0.05 0.00 0.02 0.00 0.00 54.13 55.45 2k39 s LEU 43 Cb -0.18 -4.00 -0.01 0.00 0.02 0.00 0.00 46.19 42.02 2k39 s LEU 43 CO 0.08 -0.19 -0.17 -0.63 0.02 0.00 0.00 176.35 175.46 2k39 s ILE 44 N -1.98 1.37 -0.10 -0.59 1.01 -1.01 -2.42 121.20 117.48 2k39 s ILE 44 Ca 0.53 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 60.41 2k39 s ILE 44 Cb -0.10 -1.14 0.04 0.00 0.01 0.00 0.00 42.46 41.27 2k39 s ILE 44 CO 0.19 0.39 0.07 0.12 0.00 0.00 0.00 174.94 175.71 2k39 s PHE 45 N -0.37 0.14 -0.60 3.97 5.36 -0.17 -4.18 117.98 122.14 2k39 s PHE 45 Ca 0.06 -0.00 0.00 0.00 -0.96 0.00 0.00 56.93 56.03 2k39 s PHE 45 Cb -0.07 -0.58 0.00 0.00 -0.34 0.00 0.00 43.02 42.03 2k39 s PHE 45 CO -0.00 -0.33 0.00 0.00 -1.46 0.00 0.00 175.22 173.42 2k39 n ALA 46 N 5.28 -0.09 -0.24 11.12 0.00 -1.26 -0.62 120.51 134.70 2k39 n ALA 46 Ca -0.05 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2k39 n ALA 46 Cb 0.50 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 -2.18 0.80 3.78 0.00 0.00 -1.26 -5.05 105.19 101.28 2k39 n GLY 47 Ca -0.06 0.00 -0.37 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 -0.64 4.01 0.04 1.61 1.02 0.21 -5.07 119.74 120.93 2k39 s LYS 48 Ca 0.00 0.09 -0.29 0.00 0.02 0.00 0.00 55.97 55.79 2k39 s LYS 48 Cb 0.00 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 2k39 s LYS 48 CO 0.00 0.45 0.95 1.14 -0.92 0.00 0.00 175.35 176.97 2k39 s GLN 49 N -0.17 4.61 0.24 1.68 0.00 -1.26 -1.00 119.66 123.75 2k39 s GLN 49 Ca 0.17 1.39 -0.01 0.00 -0.00 0.00 0.00 55.36 56.91 2k39 s GLN 49 Cb -0.13 -3.42 -0.04 0.00 0.00 0.00 0.00 33.01 29.41 2k39 s GLN 49 CO 0.05 0.08 0.45 -0.51 0.00 0.00 0.00 175.29 175.36 2k39 s LEU 50 N 0.54 4.16 0.23 2.60 1.43 -1.02 -4.99 118.68 121.65 2k39 s LEU 50 Ca 0.49 0.47 0.11 0.00 -1.03 0.00 0.00 54.13 54.16 2k39 s LEU 50 Cb -0.22 -3.26 -0.05 0.00 0.03 0.00 0.00 46.19 42.70 2k39 s LEU 50 CO 0.28 -0.11 -0.17 -0.70 0.23 0.00 0.00 176.35 175.88 2k39 s GLU 51 N -3.52 1.77 0.21 1.70 2.56 -1.26 -4.79 118.70 115.36 2k39 s GLU 51 Ca 0.40 -1.55 -0.30 0.00 0.00 0.00 0.00 54.97 53.51 2k39 s GLU 51 Cb -0.11 -1.91 -0.08 0.00 2.00 0.00 0.00 34.13 34.03 2k39 s GLU 51 CO 0.30 0.38 1.02 -0.51 -0.56 0.00 0.00 175.26 175.89 2k39 s ASP 52 N -3.12 7.44 0.00 -1.70 1.01 -1.26 -3.84 116.67 115.20 2k39 s ASP 52 Ca 0.26 2.03 0.00 0.00 0.71 0.00 0.00 52.55 55.55 2k39 s ASP 52 Cb -0.07 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.25 2k39 s ASP 52 CO 0.14 -0.04 0.00 0.61 0.21 0.00 0.00 175.17 176.08 2k39 n GLY 53 N 1.70 3.41 3.93 0.21 0.00 -1.26 -4.94 105.19 108.23 2k39 n GLY 53 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.82 2.18 0.32 1.61 1.81 -1.25 -4.82 118.95 117.97 2k39 s ARG 54 Ca 0.00 -0.21 0.08 0.00 -1.72 0.00 0.00 55.73 53.88 2k39 s ARG 54 Cb 0.00 -2.14 -0.04 0.00 -0.45 0.00 0.00 34.95 32.32 2k39 s ARG 54 CO 0.00 -1.28 0.14 0.95 -0.68 0.00 0.00 175.30 174.43 2k39 s THR 55 N -3.28 3.33 0.27 0.02 -4.23 -1.26 -0.42 115.64 110.07 2k39 s THR 55 Ca 0.60 -1.66 -0.04 0.00 -1.18 0.00 0.00 61.69 59.41 2k39 s THR 55 Cb -0.11 -3.02 0.35 0.00 1.34 0.00 0.00 72.50 71.06 2k39 s THR 55 CO 0.45 -0.24 1.60 -0.07 -0.54 0.00 0.00 174.62 175.83 2k39 h LEU 56 N 1.57 -0.46 -0.86 4.79 3.38 -1.57 -3.20 115.31 118.96 2k39 h LEU 56 Ca -0.44 0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2k39 h LEU 56 Cb 1.25 0.43 -0.03 0.00 0.09 0.00 0.00 40.66 42.40 2k39 h LEU 56 CO 0.62 -0.26 0.21 -1.28 0.09 0.00 0.00 178.44 177.82 2k39 h SER 57 N 0.06 0.99 -0.35 -0.43 0.87 -0.98 0.13 113.55 113.83 2k39 h SER 57 Ca 0.49 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.84 2k39 h SER 57 Cb 0.91 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 2k39 h SER 57 CO -0.80 0.92 0.09 0.44 -0.53 0.00 0.00 176.83 176.95 2k39 h ASP 58 N 1.02 0.53 -0.58 6.23 3.32 -1.83 -3.09 116.42 122.01 2k39 h ASP 58 Ca 0.22 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k39 h ASP 58 Cb 0.29 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2k39 h ASP 58 CO -0.01 0.62 0.00 -1.22 -1.72 0.00 0.00 179.24 176.91 2k39 n TYR 59 N -4.62 1.01 -3.73 4.55 4.01 -1.12 -4.94 117.16 112.32 2k39 n TYR 59 Ca -0.01 -0.45 -0.26 0.00 -0.16 0.00 0.00 57.90 57.03 2k39 n TYR 59 Cb 0.19 -0.09 0.05 0.00 -0.31 0.00 0.00 39.34 39.18 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 1.12 -4.47 -4.41 7.72 4.13 -0.94 -4.92 115.26 113.48 2k39 n ASN 60 Ca 0.21 -0.69 -0.44 0.00 1.68 0.00 0.00 54.58 55.33 2k39 n ASN 60 Cb 0.62 -4.40 -0.05 0.00 -1.54 0.00 0.00 39.78 34.41 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2k39 s ILE 61 N -3.37 4.77 0.67 2.41 1.01 -0.01 -5.02 121.20 121.66 2k39 s ILE 61 Ca 0.47 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 60.39 2k39 s ILE 61 Cb -0.22 -4.46 0.11 0.00 0.01 0.00 0.00 42.46 37.90 2k39 s ILE 61 CO 0.79 -1.07 0.92 -1.10 0.00 0.00 0.00 174.94 174.47 2k39 s GLN 62 N 2.84 1.90 0.34 2.79 -0.21 -1.26 -4.51 119.66 121.55 2k39 s GLN 62 Ca 0.14 -1.30 -0.26 0.00 0.02 0.00 0.00 55.36 53.96 2k39 s GLN 62 Cb -0.22 -2.44 -0.13 0.00 1.00 0.00 0.00 33.01 31.22 2k39 s GLN 62 CO 0.08 -1.23 0.87 0.36 -2.12 0.00 0.00 175.29 173.25 2k39 n LYS 63 N -2.62 1.07 -1.07 2.91 2.85 -1.26 -3.32 118.16 116.73 2k39 n LYS 63 Ca 0.15 0.38 -0.02 0.00 -1.05 0.00 0.00 58.31 57.77 2k39 n LYS 63 Cb 0.61 -1.75 -0.01 0.00 -0.65 0.00 0.00 35.03 33.23 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 0.58 -1.56 -2.45 -1.58 1.02 0.51 -4.97 120.64 112.19 2k39 n GLU 64 Ca 0.11 0.50 -0.38 0.00 -0.02 0.00 0.00 57.16 57.37 2k39 n GLU 64 Cb 0.35 -4.72 -0.03 0.00 -0.02 0.00 0.00 31.44 27.01 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 -2.11 6.82 0.01 1.62 0.01 -1.21 -4.71 113.70 114.13 2k39 s SER 65 Ca 0.00 2.20 -0.16 0.00 1.31 0.00 0.00 55.95 59.30 2k39 s SER 65 Cb 0.00 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.57 2k39 s SER 65 CO 0.00 -0.45 0.45 -0.89 0.41 0.00 0.00 173.24 172.76 2k39 s THR 66 N -1.45 4.97 0.13 1.44 2.01 -1.26 -0.42 115.64 121.06 2k39 s THR 66 Ca 0.54 0.93 0.04 0.00 0.31 0.00 0.00 61.69 63.52 2k39 s THR 66 Cb -0.27 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 2k39 s THR 66 CO 0.35 0.56 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.97 2k39 s LEU 67 N -0.98 2.48 0.08 4.42 1.02 -0.11 -4.92 118.68 120.67 2k39 s LEU 67 Ca 0.25 -0.93 0.07 0.00 0.02 0.00 0.00 54.13 53.54 2k39 s LEU 67 Cb -0.17 -0.36 -0.03 0.00 0.02 0.00 0.00 46.19 45.64 2k39 s LEU 67 CO 0.14 -0.29 -0.20 -1.38 0.02 0.00 0.00 176.35 174.65 2k39 s HIS 68 N -2.94 1.68 -0.18 0.29 -3.43 -1.26 -1.76 115.29 107.70 2k39 s HIS 68 Ca 0.13 -0.41 -0.11 0.00 -0.80 0.00 0.00 55.06 53.86 2k39 s HIS 68 Cb 0.00 -0.95 -0.05 0.00 -1.43 0.00 0.00 32.58 30.15 2k39 s HIS 68 CO 0.01 0.15 0.20 -0.48 -2.00 0.00 0.00 174.74 172.62 2k39 s LEU 69 N -1.67 4.23 -0.13 5.38 2.34 -1.25 -2.40 118.68 125.18 2k39 s LEU 69 Ca 0.05 0.35 -0.06 0.00 0.06 0.00 0.00 54.13 54.54 2k39 s LEU 69 Cb -0.10 -2.21 -0.04 0.00 -0.56 0.00 0.00 46.19 43.29 2k39 s LEU 69 CO 0.03 0.15 0.07 -0.69 -1.06 0.00 0.00 176.35 174.86 2k39 s VAL 70 N 0.36 4.89 -0.23 1.48 1.01 0.12 -4.81 120.40 123.22 2k39 s VAL 70 Ca 0.12 -0.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.91 2k39 s VAL 70 Cb -0.12 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 2k39 s VAL 70 CO 0.01 0.56 0.44 -0.76 0.00 0.00 0.00 175.10 175.34 2k39 s LEU 71 N -0.48 4.11 -0.30 3.92 1.43 -1.26 -0.81 118.68 125.29 2k39 s LEU 71 Ca 0.10 0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 53.66 2k39 s LEU 71 Cb -0.12 -2.57 0.17 0.00 0.03 0.00 0.00 46.19 43.71 2k39 s LEU 71 CO 0.02 -0.16 0.66 -0.60 0.23 0.00 0.00 176.35 176.49 2k39 s ARG 72 N 1.73 0.54 0.42 1.70 3.52 0.13 -5.02 118.95 121.96 2k39 s ARG 72 Ca 0.20 1.06 -0.23 0.00 -0.13 0.00 0.00 55.73 56.63 2k39 s ARG 72 Cb -0.15 0.61 -0.09 0.00 -1.56 0.00 0.00 34.95 33.75 2k39 s ARG 72 CO 0.09 -0.47 1.03 -0.48 -0.81 0.00 0.00 175.30 174.66 2k39 s LEU 73 N 2.86 4.06 -0.31 -0.88 2.34 -1.26 -4.44 118.68 121.05 2k39 s LEU 73 Ca 0.12 1.97 -0.29 0.00 0.06 0.00 0.00 54.13 56.00 2k39 s LEU 73 Cb -0.14 -4.30 -0.01 0.00 -0.56 0.00 0.00 46.19 41.19 2k39 s LEU 73 CO -0.20 -0.53 1.49 -0.60 -1.06 0.00 0.00 176.35 175.45 2k39 s ARG 74 N -2.71 3.72 0.24 1.48 3.52 -1.26 -5.04 118.95 118.91 2k39 s ARG 74 Ca 0.60 1.32 0.09 0.00 -0.13 0.00 0.00 55.73 57.61 2k39 s ARG 74 Cb -0.19 -4.00 -0.04 0.00 -1.56 0.00 0.00 34.95 29.15 2k39 s ARG 74 CO 0.24 -1.38 -0.04 0.20 -0.81 0.00 0.00 175.30 173.52 2k39 s GLY 75 N 3.92 1.69 0.00 8.12 0.00 -1.26 -5.23 107.32 114.56 2k39 s GLY 75 Ca 0.65 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.76 2k39 s GLY 75 CO 0.29 -1.67 0.00 0.61 0.00 0.00 0.00 173.10 172.33