#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5j n ASN 2 N 0.00 -5.11 -3.56 7.83 5.03 -1.26 -4.94 115.26 113.26 2k5j n ASN 2 Ca 0.00 -0.09 -0.17 0.00 0.87 0.00 0.00 54.58 55.19 2k5j n ASN 2 Cb 0.00 -4.23 -0.06 0.00 -1.02 0.00 0.00 39.78 34.47 2k5j n ASN 2 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2k5j s SER 3 N -2.33 -0.61 0.05 6.41 0.15 -1.26 -5.15 113.70 110.96 2k5j s SER 3 Ca 0.15 0.69 -0.22 0.00 0.70 0.00 0.00 55.95 57.27 2k5j s SER 3 Cb -0.07 0.58 -0.06 0.00 -1.71 0.00 0.00 66.02 64.76 2k5j s SER 3 CO 0.18 -0.56 0.66 -1.48 1.20 0.00 0.00 173.24 173.24 2k5j s LEU 4 N -1.09 4.48 -1.02 3.45 2.34 -1.26 -4.99 118.68 120.59 2k5j s LEU 4 Ca -0.10 1.33 -0.22 0.00 0.06 0.00 0.00 54.13 55.19 2k5j s LEU 4 Cb -0.01 -3.05 0.06 0.00 -0.56 0.00 0.00 46.19 42.63 2k5j s LEU 4 CO 0.09 0.14 1.43 0.00 -1.06 0.00 0.00 176.35 176.94 2k5j s ALA 5 N -0.50 2.79 -0.02 1.48 0.00 -1.26 -4.53 121.76 119.72 2k5j s ALA 5 Ca 0.33 -2.33 0.08 0.00 0.00 0.00 0.00 51.96 50.04 2k5j s ALA 5 Cb -0.20 -4.49 0.14 0.00 0.00 0.00 0.00 23.12 18.58 2k5j s ALA 5 CO 0.20 -3.55 1.07 0.41 0.00 0.00 0.00 175.76 173.89 2k5j n GLY 6 N 6.72 0.73 0.00 0.00 0.00 -1.26 -4.91 105.19 106.47 2k5j n GLY 6 Ca 0.33 -0.25 0.02 0.00 0.00 0.00 0.00 46.02 46.11 2k5j n GLY 6 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k5j n ILE 7 N 0.05 0.00 -2.11 -0.61 5.41 -1.26 -4.74 119.36 116.10 2k5j n ILE 7 Ca -0.18 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.36 2k5j n ILE 7 Cb 0.83 -0.73 -0.04 0.00 -0.71 0.00 0.00 39.64 38.99 2k5j n ILE 7 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2k5j n ASP 8 N -0.82 -5.80 -3.73 4.38 2.03 -1.26 -4.96 116.55 106.39 2k5j n ASP 8 Ca 0.03 0.18 -0.17 0.00 0.52 0.00 0.00 54.79 55.35 2k5j n ASP 8 Cb 0.01 -4.93 -0.17 0.00 -0.72 0.00 0.00 41.12 35.32 2k5j n ASP 8 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2k5j s MET 9 N -4.58 -0.05 0.44 -0.67 -1.94 -1.26 -5.13 119.30 106.10 2k5j s MET 9 Ca 0.00 0.28 -0.25 0.00 -1.71 0.00 0.00 55.69 54.00 2k5j s MET 9 Cb 0.00 -0.35 -0.08 0.00 2.01 0.00 0.00 34.83 36.40 2k5j s MET 9 CO 0.00 -0.24 1.40 0.20 -0.01 0.00 0.00 175.02 176.37 2k5j s GLY 10 N 1.54 2.92 -0.31 -0.03 0.00 -1.26 -4.98 107.32 105.20 2k5j s GLY 10 Ca -0.03 1.41 -0.12 0.00 0.00 0.00 0.00 44.72 45.98 2k5j s GLY 10 CO -0.03 2.02 0.22 -1.60 0.00 0.00 0.00 173.10 173.70 2k5j s ARG 11 N -2.42 3.74 -0.04 2.90 3.52 -1.26 -5.07 118.95 120.32 2k5j s ARG 11 Ca 0.60 -0.46 0.05 0.00 -0.13 0.00 0.00 55.73 55.79 2k5j s ARG 11 Cb -0.42 -3.73 -0.02 0.00 -1.56 0.00 0.00 34.95 29.21 2k5j s ARG 11 CO 0.54 -0.31 -0.17 0.42 -0.81 0.00 0.00 175.30 174.97 2k5j s ILE 12 N 1.75 2.79 -0.22 4.11 -1.09 -1.26 -5.11 121.20 122.17 2k5j s ILE 12 Ca 0.07 -0.84 -0.12 0.00 -2.23 0.00 0.00 60.65 57.53 2k5j s ILE 12 Cb -0.17 -2.07 -0.05 0.00 -1.58 0.00 0.00 42.46 38.60 2k5j s ILE 12 CO 0.11 0.58 0.21 -0.76 -1.23 0.00 0.00 174.94 173.85 2k5j s LEU 13 N -0.72 4.14 -0.03 2.97 1.02 -1.26 -5.08 118.68 119.72 2k5j s LEU 13 Ca 0.11 0.23 0.05 0.00 0.02 0.00 0.00 54.13 54.54 2k5j s LEU 13 Cb -0.10 -2.20 -0.01 0.00 0.02 0.00 0.00 46.19 43.90 2k5j s LEU 13 CO 0.00 0.05 -0.19 -0.22 0.02 0.00 0.00 176.35 176.01 2k5j s LEU 14 N 1.00 1.98 -0.04 1.79 2.96 -1.26 -5.14 118.68 119.98 2k5j s LEU 14 Ca 0.10 -0.37 0.05 0.00 -0.22 0.00 0.00 54.13 53.69 2k5j s LEU 14 Cb -0.13 -1.03 -0.00 0.00 0.50 0.00 0.00 46.19 45.52 2k5j s LEU 14 CO 0.04 0.20 -0.17 1.51 -1.32 0.00 0.00 176.35 176.61 2k5j s ASP 15 N -0.17 2.16 0.07 3.68 -4.77 -1.26 -5.14 116.67 111.24 2k5j s ASP 15 Ca 0.00 -0.35 0.02 0.00 -3.30 0.00 0.00 52.55 48.92 2k5j s ASP 15 Cb -0.10 -0.54 -0.03 0.00 -1.09 0.00 0.00 42.92 41.15 2k5j s ASP 15 CO 0.01 0.16 -0.07 -0.76 0.70 0.00 0.00 175.17 175.21 2k5j s LEU 16 N -0.04 2.38 0.63 2.11 1.02 -1.26 -5.14 118.68 118.39 2k5j s LEU 16 Ca -0.02 -0.76 -0.19 0.00 0.02 0.00 0.00 54.13 53.18 2k5j s LEU 16 Cb -0.11 -0.13 -0.02 0.00 0.02 0.00 0.00 46.19 45.95 2k5j s LEU 16 CO 0.02 -0.32 1.31 -0.44 0.02 0.00 0.00 176.35 176.94 2k5j s SER 17 N -2.27 4.67 0.28 2.29 0.01 -1.26 -4.78 113.70 112.65 2k5j s SER 17 Ca 0.00 2.66 -0.00 0.00 1.31 0.00 0.00 55.95 59.93 2k5j s SER 17 Cb -0.03 -2.62 0.50 0.00 0.21 0.00 0.00 66.02 64.08 2k5j s SER 17 CO -0.02 -1.96 1.87 0.78 0.41 0.00 0.00 173.24 174.32 2k5j h ASN 18 N 0.67 0.96 -0.77 2.44 2.35 -2.00 0.06 115.58 119.29 2k5j h ASN 18 Ca -0.51 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.30 2k5j h ASN 18 Cb 1.33 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 39.48 2k5j h ASN 18 CO 0.54 0.58 0.51 -0.33 -1.65 0.00 0.00 177.43 177.07 2k5j h GLU 19 N 1.07 0.90 -0.26 0.81 5.08 -2.01 -2.06 114.58 118.13 2k5j h GLU 19 Ca 0.45 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.66 2k5j h GLU 19 Cb 0.31 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2k5j h GLU 19 CO -0.20 0.60 -0.20 0.28 -1.00 0.00 0.00 179.01 178.49 2k5j h VAL 20 N 0.93 1.31 -0.95 3.13 2.07 -1.36 -2.93 116.25 118.45 2k5j h VAL 20 Ca 0.31 -1.33 0.13 0.00 0.82 0.00 0.00 66.70 66.63 2k5j h VAL 20 Cb 0.07 1.61 -0.08 0.00 -1.52 0.00 0.00 31.29 31.37 2k5j h VAL 20 CO -0.09 0.42 0.60 0.40 0.02 0.00 0.00 177.57 178.92 2k5j h ILE 21 N 0.31 0.87 -0.51 4.57 2.04 -0.66 0.20 117.51 124.34 2k5j h ILE 21 Ca 0.05 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.55 2k5j h ILE 21 Cb 0.74 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2k5j h ILE 21 CO 0.05 0.15 0.02 0.50 0.00 0.00 0.00 178.15 178.88 2k5j h LYS 22 N 0.84 0.84 -0.18 2.37 3.64 -1.32 -0.09 116.57 122.68 2k5j h LYS 22 Ca 0.47 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 2k5j h LYS 22 Cb 0.61 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2k5j h LYS 22 CO -0.24 0.83 -0.01 1.96 -2.27 0.00 0.00 179.45 179.72 2k5j h GLN 23 N 0.79 0.33 -0.69 1.90 4.20 -0.51 -1.73 115.11 119.40 2k5j h GLN 23 Ca 0.15 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 2k5j h GLN 23 Cb 0.44 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 2k5j h GLN 23 CO 0.02 0.55 0.31 -0.07 -0.67 0.00 0.00 178.83 178.97 2k5j h LEU 24 N 0.07 0.93 -0.25 1.46 3.38 -0.89 -1.76 115.31 118.25 2k5j h LEU 24 Ca 0.05 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.88 2k5j h LEU 24 Cb 0.41 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2k5j h LEU 24 CO 0.01 0.82 0.15 -0.78 0.09 0.00 0.00 178.44 178.73 2k5j h ASP 25 N 0.97 0.26 -0.52 -0.43 3.58 -0.92 0.51 116.42 119.86 2k5j h ASP 25 Ca 0.24 -0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.69 2k5j h ASP 25 Cb 0.16 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.12 2k5j h ASP 25 CO -0.03 0.19 0.35 -0.78 -2.88 0.00 0.00 179.24 176.09 2k5j h ASP 26 N 0.32 0.60 0.38 2.28 3.58 -1.09 -0.92 116.42 121.56 2k5j h ASP 26 Ca 0.09 -0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.43 2k5j h ASP 26 Cb -0.02 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 2k5j h ASP 26 CO -0.03 0.43 -0.45 -0.07 -2.88 0.00 0.00 179.24 176.23 2k5j h LEU 27 N 0.70 0.10 -0.41 2.28 4.07 -0.99 -2.83 115.31 118.23 2k5j h LEU 27 Ca 0.19 -0.04 -0.10 0.00 0.08 0.00 0.00 57.88 58.02 2k5j h LEU 27 Cb -0.08 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 2k5j h LEU 27 CO -0.04 0.54 -0.11 -0.08 -1.08 0.00 0.00 178.44 177.66 2k5j h GLU 28 N 0.08 0.81 -0.52 1.13 4.81 0.80 -1.51 114.58 120.17 2k5j h GLU 28 Ca 0.00 -0.32 -0.04 0.00 -0.13 0.00 0.00 59.36 58.88 2k5j h GLU 28 Cb 0.83 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 2k5j h GLU 28 CO 0.06 0.94 0.18 0.28 -0.73 0.00 0.00 179.01 179.74 2k5j h VAL 29 N 0.63 1.22 -0.51 0.32 2.07 -1.09 0.25 116.25 119.14 2k5j h VAL 29 Ca 0.10 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 2k5j h VAL 29 Cb 0.65 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2k5j h VAL 29 CO 0.04 0.27 0.16 1.56 0.02 0.00 0.00 177.57 179.63 2k5j h GLN 30 N 0.70 0.80 -0.30 1.57 4.20 -1.43 -2.87 115.11 117.79 2k5j h GLN 30 Ca 0.17 -0.17 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 2k5j h GLN 30 Cb 0.24 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2k5j h GLN 30 CO -0.01 0.74 -0.38 0.00 -0.67 0.00 0.00 178.83 178.51 2k5j h ARG 31 N 0.70 0.69 -2.95 1.46 2.47 -1.08 -3.48 114.38 112.19 2k5j h ARG 31 Ca 0.17 -0.34 -0.08 0.00 -1.26 0.00 0.00 59.98 58.46 2k5j h ARG 31 Cb 0.27 0.00 0.04 0.00 -1.65 0.00 0.00 29.97 28.63 2k5j h ARG 31 CO -0.01 0.95 -0.19 0.09 0.56 0.00 0.00 179.97 181.38 2k5j n ASN 32 N -4.05 -2.13 -3.56 7.04 4.13 0.87 -5.07 115.26 112.50 2k5j n ASN 32 Ca -0.02 -0.15 -0.12 0.00 1.68 0.00 0.00 54.58 55.97 2k5j n ASN 32 Cb 0.51 -1.61 -0.04 0.00 -1.54 0.00 0.00 39.78 37.10 2k5j n ASN 32 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 2k5j s LEU 33 N -3.10 -0.01 0.53 3.41 0.05 -1.20 -5.08 118.68 113.27 2k5j s LEU 33 Ca 0.01 -0.05 -0.22 0.00 0.05 0.00 0.00 54.13 53.92 2k5j s LEU 33 Cb -0.00 2.13 -0.06 0.00 -2.05 0.00 0.00 46.19 46.21 2k5j s LEU 33 CO 0.18 -0.83 1.29 -0.81 -0.55 0.00 0.00 176.35 175.63 2k5j n PRO 34 N -0.02 1.65 -0.28 1.48 -0.04 -1.26 -4.82 135.00 131.71 2k5j n PRO 34 Ca -0.17 0.61 -0.05 0.00 -0.04 0.00 0.00 63.50 63.85 2k5j n PRO 34 Cb 0.63 -2.49 0.07 0.00 -0.04 0.00 0.00 33.50 31.67 2k5j n PRO 34 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2k5j h ARG 35 N 1.46 1.06 -0.99 0.54 0.11 -1.96 -2.27 114.38 112.33 2k5j h ARG 35 Ca -0.50 -0.11 0.23 0.00 0.10 0.00 0.00 59.98 59.70 2k5j h ARG 35 Cb 1.31 -0.22 -0.12 0.00 1.11 0.00 0.00 29.97 32.05 2k5j h ARG 35 CO 0.57 0.77 0.58 0.00 0.10 0.00 0.00 179.97 181.99 2k5j h ALA 36 N 1.24 1.73 -0.57 0.08 0.00 -1.99 0.51 119.26 120.24 2k5j h ALA 36 Ca 0.28 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.23 2k5j h ALA 36 Cb -0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2k5j h ALA 36 CO -0.05 -0.21 0.09 -0.44 0.00 0.00 0.00 179.25 178.64 2k5j h ASP 37 N 0.62 0.88 -0.46 0.00 5.19 -1.78 -1.42 116.42 119.45 2k5j h ASP 37 Ca 0.62 -0.19 -0.09 0.00 -0.62 0.00 0.00 57.03 56.75 2k5j h ASP 37 Cb 1.12 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.38 2k5j h ASP 37 CO -0.45 0.89 -0.07 -0.07 -3.12 0.00 0.00 179.24 176.42 2k5j h LEU 38 N 0.87 0.86 -0.37 1.55 3.38 -0.01 -2.23 115.31 119.36 2k5j h LEU 38 Ca 0.18 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2k5j h LEU 38 Cb 0.39 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2k5j h LEU 38 CO 0.01 1.00 0.12 -0.07 0.09 0.00 0.00 178.44 179.59 2k5j h LEU 39 N 0.70 0.53 -0.72 1.67 3.38 -0.74 -0.76 115.31 119.37 2k5j h LEU 39 Ca 0.12 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2k5j h LEU 39 Cb 0.60 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2k5j h LEU 39 CO 0.04 0.58 0.46 -0.09 0.09 0.00 0.00 178.44 179.52 2k5j h ARG 40 N 0.44 0.90 -0.52 1.13 2.43 -1.23 -1.67 114.38 115.87 2k5j h ARG 40 Ca 0.12 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 2k5j h ARG 40 Cb 0.24 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2k5j h ARG 40 CO -0.01 0.59 0.14 0.93 -1.51 0.00 0.00 179.97 180.12 2k5j h GLU 41 N 0.92 0.82 -0.53 0.20 5.08 -1.18 0.74 114.58 120.64 2k5j h GLU 41 Ca 0.28 -0.19 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 2k5j h GLU 41 Cb -0.05 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 2k5j h GLU 41 CO -0.08 0.77 0.26 0.00 -1.00 0.00 0.00 179.01 178.95 2k5j h ALA 42 N 1.01 0.67 0.16 3.43 0.00 -0.59 0.75 119.26 124.70 2k5j h ALA 42 Ca 0.16 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2k5j h ALA 42 Cb 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2k5j h ALA 42 CO -0.00 -0.10 -0.08 0.28 0.00 0.00 0.00 179.25 179.35 2k5j h VAL 43 N 0.49 0.97 -0.36 0.00 2.07 -1.13 -2.04 116.25 116.26 2k5j h VAL 43 Ca 0.24 -0.90 0.05 0.00 0.82 0.00 0.00 66.70 66.91 2k5j h VAL 43 Cb 0.17 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 2k5j h VAL 43 CO -0.18 0.20 0.07 -0.78 0.02 0.00 0.00 177.57 176.90 2k5j h ASP 44 N -0.68 0.02 -0.93 0.57 1.82 -0.65 -1.00 116.42 115.58 2k5j h ASP 44 Ca -0.02 0.06 0.09 0.00 -0.39 0.00 0.00 57.03 56.76 2k5j h ASP 44 Cb 0.49 0.08 -0.07 0.00 0.68 0.00 0.00 39.33 40.50 2k5j h ASP 44 CO 0.04 0.05 0.58 1.56 -1.61 0.00 0.00 179.24 179.85 2k5j h GLN 45 N 0.20 0.97 -0.82 0.28 1.08 0.50 -0.98 115.11 116.33 2k5j h GLN 45 Ca 0.17 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.29 2k5j h GLN 45 Cb 0.19 -0.22 -0.04 0.00 -0.05 0.00 0.00 27.48 27.36 2k5j h GLN 45 CO -0.22 0.64 0.44 -0.92 -0.95 0.00 0.00 178.83 177.82 2k5j h TYR 46 N 1.00 1.13 -0.95 2.96 3.20 -0.46 -2.37 116.97 121.48 2k5j h TYR 46 Ca 0.43 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.27 2k5j h TYR 46 Cb 0.30 -0.36 -0.05 0.00 1.54 0.00 0.00 36.73 38.16 2k5j h TYR 46 CO -0.02 0.79 0.58 -0.07 -1.64 0.00 0.00 178.16 177.80 2k5j h LEU 47 N 1.15 1.14 -0.31 2.82 3.38 -0.17 -1.12 115.31 122.21 2k5j h LEU 47 Ca 0.29 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 2k5j h LEU 47 Cb 0.04 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2k5j h LEU 47 CO -0.05 0.86 0.19 0.40 0.09 0.00 0.00 178.44 179.94 2k5j h ILE 48 N 1.31 1.10 0.17 1.22 1.08 -1.01 -2.16 117.51 119.22 2k5j h ILE 48 Ca 0.34 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.59 2k5j h ILE 48 Cb -0.07 0.69 0.00 0.00 -3.07 0.00 0.00 36.82 34.37 2k5j h ILE 48 CO -0.07 0.10 -0.08 -1.13 -0.69 0.00 0.00 178.15 176.28 2k5j h ASN 49 N 0.40 -0.19 0.00 1.72 -1.24 -1.25 -2.42 115.58 112.60 2k5j h ASN 49 Ca 0.11 -0.18 0.00 0.00 0.71 0.00 0.00 56.30 56.94 2k5j h ASN 49 Cb -0.01 0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.09 2k5j h ASN 49 CO -0.02 0.08 0.00 0.00 -1.29 0.00 0.00 177.43 176.20 2k5j n GLN 50 N -5.08 0.72 0.07 6.67 -0.00 -0.45 -2.96 117.38 116.35 2k5j n GLN 50 Ca -0.09 0.00 0.12 0.00 -0.00 0.00 0.00 57.00 57.03 2k5j n GLN 50 Cb 0.20 -1.31 0.09 0.00 -0.00 0.00 0.00 30.24 29.22 2k5j n GLN 50 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2k5j h SER 51 N 0.34 0.00 -3.70 2.61 4.64 -0.86 -3.46 113.55 113.13 2k5j h SER 51 Ca 0.00 -0.16 -0.28 0.00 -0.47 0.00 0.00 61.79 60.88 2k5j h SER 51 Cb 0.44 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.23 2k5j h SER 51 CO 0.00 0.08 -0.73 -1.10 -0.87 0.00 0.00 176.83 174.20 2k5j s GLN 52 N -3.24 0.15 -0.35 4.77 -0.21 -1.15 -5.11 119.66 114.52 2k5j s GLN 52 Ca 0.03 -0.00 -0.13 0.00 0.02 0.00 0.00 55.36 55.28 2k5j s GLN 52 Cb 0.12 -0.22 -0.01 0.00 1.00 0.00 0.00 33.01 33.90 2k5j s GLN 52 CO 0.76 -0.02 0.24 0.95 -2.12 0.00 0.00 175.29 175.09 2k5j s THR 53 N 0.32 5.16 0.04 -0.19 -4.23 -1.26 -5.04 115.64 110.44 2k5j s THR 53 Ca -0.03 -0.35 -0.27 0.00 -1.18 0.00 0.00 61.69 59.86 2k5j s THR 53 Cb -0.05 -3.70 0.09 0.00 1.34 0.00 0.00 72.50 70.18 2k5j s THR 53 CO -0.01 -0.06 0.77 0.00 -0.54 0.00 0.00 174.62 174.77 2k5j s ALA 54 N 1.69 -1.74 -0.06 3.99 0.00 -1.26 -5.07 121.76 119.31 2k5j s ALA 54 Ca 0.05 0.88 -0.02 0.00 0.00 0.00 0.00 51.96 52.87 2k5j s ALA 54 Cb -0.18 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.44 2k5j s ALA 54 CO 0.10 -0.67 0.04 0.54 0.00 0.00 0.00 175.76 175.77 2k5j n ARG 55 N -0.13 -1.78 -2.70 0.00 1.74 -1.26 -4.85 116.66 107.68 2k5j n ARG 55 Ca -0.13 1.64 -0.42 0.00 -0.77 0.00 0.00 57.85 58.17 2k5j n ARG 55 Cb 0.62 -2.06 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 2k5j n ARG 55 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2k5j s THR 56 N -0.59 4.81 0.62 0.55 -4.23 -1.26 -5.05 115.64 110.49 2k5j s THR 56 Ca -0.05 2.04 0.07 0.00 -1.18 0.00 0.00 61.69 62.58 2k5j s THR 56 Cb 0.00 -4.31 0.10 0.00 1.34 0.00 0.00 72.50 69.64 2k5j s THR 56 CO 0.22 0.17 0.85 -0.55 -0.54 0.00 0.00 174.62 174.77 2k5j s SER 57 N 0.93 4.88 -0.40 3.99 0.15 -1.26 -5.07 113.70 116.91 2k5j s SER 57 Ca 0.52 -0.77 0.11 0.00 0.70 0.00 0.00 55.95 56.51 2k5j s SER 57 Cb -0.21 0.30 0.37 0.00 -1.71 0.00 0.00 66.02 64.76 2k5j s SER 57 CO 0.28 -1.51 0.81 1.33 1.20 0.00 0.00 173.24 175.36 2k5j n VAL 58 N -2.41 0.64 0.35 4.45 0.24 -1.26 -4.90 118.33 115.45 2k5j n VAL 58 Ca 0.16 -4.57 0.14 0.00 -2.04 0.00 0.00 64.34 58.03 2k5j n VAL 58 Cb 0.61 -0.37 0.57 0.00 -1.47 0.00 0.00 33.84 33.19 2k5j n VAL 58 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2k5j h PRO 59 N 2.98 0.00 -7.04 7.34 0.13 -2.05 -3.45 132.00 129.92 2k5j h PRO 59 Ca 0.09 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.67 2k5j h PRO 59 Cb 0.92 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.17 2k5j h PRO 59 CO 0.57 0.00 0.58 0.20 -0.23 0.00 0.00 178.00 179.12 2k5j s GLY 60 N -3.76 2.87 -0.21 1.56 0.00 -1.26 -5.00 107.32 101.52 2k5j s GLY 60 Ca 0.03 1.26 -0.07 0.00 0.00 0.00 0.00 44.72 45.94 2k5j s GLY 60 CO 0.44 1.76 0.04 -0.42 0.00 0.00 0.00 173.10 174.92 2k5j s ILE 61 N -1.35 4.34 -0.18 0.90 1.01 -1.26 -5.00 121.20 119.66 2k5j s ILE 61 Ca 0.70 -0.18 -0.22 0.00 0.00 0.00 0.00 60.65 60.96 2k5j s ILE 61 Cb -0.38 -2.98 -0.19 0.00 0.01 0.00 0.00 42.46 38.92 2k5j s ILE 61 CO 0.45 0.41 0.34 -0.50 0.00 0.00 0.00 174.94 175.63 2k5j h TRP 62 N 7.48 0.00 -3.45 3.97 4.06 -1.97 -3.46 115.95 122.57 2k5j h TRP 62 Ca -0.36 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.06 2k5j h TRP 62 Cb 1.18 0.00 0.08 0.00 -1.00 0.00 0.00 29.16 29.42 2k5j h TRP 62 CO 0.61 1.15 0.84 1.14 -3.56 0.00 0.00 178.44 178.62 2k5j s GLN 63 N -2.27 4.16 0.33 0.49 -2.07 -1.26 -5.00 119.66 114.03 2k5j s GLN 63 Ca -0.23 2.51 0.04 0.00 -1.82 0.00 0.00 55.36 55.86 2k5j s GLN 63 Cb 0.03 -3.03 -0.02 0.00 -1.09 0.00 0.00 33.01 28.90 2k5j s GLN 63 CO 0.56 -0.56 0.48 0.20 -1.32 0.00 0.00 175.29 174.65 2k5j s GLY 64 N 0.34 1.44 -0.14 2.60 0.00 -1.26 -5.07 107.32 105.23 2k5j s GLY 64 Ca 0.60 -1.25 -0.25 0.00 0.00 0.00 0.00 44.72 43.82 2k5j s GLY 64 CO 0.49 -1.19 0.81 0.00 0.00 0.00 0.00 173.10 173.21 2k5j s GLU 66 N 1.79 4.51 0.13 0.00 4.04 -1.26 -4.97 118.70 122.94 2k5j s GLU 66 Ca 0.39 1.96 -0.31 0.00 0.04 0.00 0.00 54.97 57.05 2k5j s GLU 66 Cb -0.17 -3.17 -0.08 0.00 0.02 0.00 0.00 34.13 30.73 2k5j s GLU 66 CO 0.15 -0.00 1.41 -1.21 -1.84 0.00 0.00 175.26 173.76 2k5j s GLU 67 N -1.17 4.31 0.00 -4.83 0.41 -1.26 -4.87 118.70 111.29 2k5j s GLU 67 Ca 0.49 2.11 0.18 0.00 -0.41 0.00 0.00 54.97 57.34 2k5j s GLU 67 Cb -0.35 -3.23 0.90 0.00 -1.78 0.00 0.00 34.13 29.68 2k5j s GLU 67 CO 0.43 -0.44 1.53 -3.47 -0.49 0.00 0.00 175.26 172.82 2k5j n ASP 68 N 3.80 0.00 -4.62 -0.19 2.03 -1.26 -4.83 116.55 111.49 2k5j n ASP 68 Ca 0.11 0.02 -0.37 0.00 0.52 0.00 0.00 54.79 55.08 2k5j n ASP 68 Cb 0.42 -0.28 0.07 0.00 -0.72 0.00 0.00 41.12 40.61 2k5j n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k5j n GLY 69 N 0.22 -0.34 0.00 0.27 0.00 -1.26 -4.90 105.19 99.17 2k5j n GLY 69 Ca 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2k5j n GLY 69 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2k5j n VAL 70 N -2.08 0.00 -2.27 1.61 3.14 -1.26 -5.13 118.33 112.34 2k5j n VAL 70 Ca 0.14 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.52 2k5j n VAL 70 Cb 0.48 0.25 0.00 0.00 -1.06 0.00 0.00 33.84 33.51 2k5j n VAL 70 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2k5j n GLU 71 N 0.00 -4.50 -2.09 1.45 2.13 -1.26 -4.97 120.64 111.40 2k5j n GLU 71 Ca 0.00 3.24 -0.30 0.00 0.66 0.00 0.00 57.16 60.76 2k5j n GLU 71 Cb 0.00 -4.05 0.02 0.00 0.27 0.00 0.00 31.44 27.68 2k5j n GLU 71 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2k5j s TYR 72 N -0.50 3.51 0.39 4.31 1.51 -1.26 -4.97 117.35 120.34 2k5j s TYR 72 Ca 0.00 1.07 0.14 0.00 -1.01 0.00 0.00 57.07 57.27 2k5j s TYR 72 Cb 0.00 -2.71 0.84 0.00 -0.11 0.00 0.00 41.96 39.98 2k5j s TYR 72 CO 0.00 -0.72 1.88 1.96 -1.11 0.00 0.00 175.55 177.56 2k5j h GLN 73 N -0.26 0.00 -5.50 -0.62 7.50 -2.09 -3.48 115.11 110.67 2k5j h GLN 73 Ca -0.45 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 58.64 2k5j h GLN 73 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.75 2k5j h GLN 73 CO 0.62 0.31 -0.46 0.54 -1.50 0.00 0.00 178.83 178.34 2k5j n ARG 74 N -4.12 -2.01 -3.35 1.46 5.12 -1.26 -4.95 116.66 107.55 2k5j n ARG 74 Ca -0.02 1.82 -0.40 0.00 -1.93 0.00 0.00 57.85 57.32 2k5j n ARG 74 Cb 0.35 -5.21 -0.09 0.00 -1.16 0.00 0.00 32.46 26.36 2k5j n ARG 74 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2k5j s LYS 75 N -2.81 3.80 -0.17 5.56 1.02 -1.26 -5.03 119.74 120.85 2k5j s LYS 75 Ca 0.18 -0.12 -0.29 0.00 0.02 0.00 0.00 55.97 55.76 2k5j s LYS 75 Cb -0.04 -3.73 0.10 0.00 -0.52 0.00 0.00 37.83 33.63 2k5j s LYS 75 CO 0.78 -0.44 0.86 -0.48 -0.92 0.00 0.00 175.35 175.15 2k5j s LEU 76 N 2.15 -0.54 0.00 3.17 2.34 -1.26 -5.11 118.68 119.43 2k5j s LEU 76 Ca 0.15 0.76 0.00 0.00 0.06 0.00 0.00 54.13 55.10 2k5j s LEU 76 Cb -0.16 2.18 0.00 0.00 -0.56 0.00 0.00 46.19 47.65 2k5j s LEU 76 CO 0.11 -0.38 0.11 0.54 -1.06 0.00 0.00 176.35 175.68 2k5j n ARG 77 N 1.38 0.00 -2.99 1.48 5.12 -1.26 -4.99 116.66 115.41 2k5j n ARG 77 Ca -0.14 0.15 0.03 0.00 -1.93 0.00 0.00 57.85 55.96 2k5j n ARG 77 Cb 0.57 -0.74 0.00 0.00 -1.16 0.00 0.00 32.46 31.13 2k5j n ARG 77 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2k5j s GLU 78 N -0.52 0.25 -0.25 5.56 2.12 -1.26 -5.06 118.70 119.54 2k5j s GLU 78 Ca 0.00 0.04 -0.04 0.00 0.36 0.00 0.00 54.97 55.33 2k5j s GLU 78 Cb 0.00 0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.46 2k5j s GLU 78 CO 0.00 -0.41 0.10 -1.91 -0.54 0.00 0.00 175.26 172.50 2k5j n GLU 79 N 4.43 -2.51 0.00 4.30 2.13 -1.26 -5.36 120.64 122.37 2k5j n GLU 79 Ca 0.08 2.16 0.00 0.00 0.66 0.00 0.00 57.16 60.06 2k5j n GLU 79 Cb 0.60 -4.17 0.00 0.00 0.27 0.00 0.00 31.44 28.14 2k5j n GLU 79 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59