#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5j h ASN 2 N 0.00 0.90 -3.89 7.83 -0.26 -2.13 -3.42 115.58 114.61 2k5j h ASN 2 Ca 0.00 -0.11 -0.49 0.00 -0.56 0.00 0.00 56.30 55.13 2k5j h ASN 2 Cb 0.00 -0.23 0.02 0.00 -1.06 0.00 0.00 38.32 37.05 2k5j h ASN 2 CO 0.00 0.76 0.44 -0.55 -1.06 0.00 0.00 177.43 177.02 2k5j s SER 3 N -6.07 7.00 -0.19 5.81 0.15 -1.26 -5.04 113.70 114.11 2k5j s SER 3 Ca -0.13 2.14 -0.04 0.00 0.70 0.00 0.00 55.95 58.62 2k5j s SER 3 Cb 0.14 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.83 2k5j s SER 3 CO 0.80 -0.32 -0.03 -0.76 1.20 0.00 0.00 173.24 174.13 2k5j s LEU 4 N -2.07 3.10 -0.08 3.45 1.43 -1.26 -4.97 118.68 118.28 2k5j s LEU 4 Ca 0.51 -0.26 0.10 0.00 -1.03 0.00 0.00 54.13 53.45 2k5j s LEU 4 Cb -0.27 -1.77 0.41 0.00 0.03 0.00 0.00 46.19 44.59 2k5j s LEU 4 CO 0.34 0.06 1.23 0.00 0.23 0.00 0.00 176.35 178.21 2k5j n ALA 5 N 4.24 2.92 0.30 4.21 0.00 -1.26 -4.21 120.51 126.72 2k5j n ALA 5 Ca -0.18 -0.90 0.17 0.00 0.00 0.00 0.00 53.44 52.53 2k5j n ALA 5 Cb 0.52 -1.03 0.95 0.00 0.00 0.00 0.00 19.45 19.89 2k5j n ALA 5 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2k5j h GLY 6 N 4.74 0.00 -7.20 0.00 0.00 -2.01 -3.37 103.07 95.23 2k5j h GLY 6 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.69 2k5j h GLY 6 CO 0.16 0.00 0.41 -0.42 0.00 0.00 0.00 176.54 176.68 2k5j s ILE 7 N -4.43 4.50 -0.35 2.60 1.01 -1.26 -4.76 121.20 118.50 2k5j s ILE 7 Ca -0.05 -0.36 0.04 0.00 0.00 0.00 0.00 60.65 60.29 2k5j s ILE 7 Cb 0.14 -4.57 0.27 0.00 0.01 0.00 0.00 42.46 38.31 2k5j s ILE 7 CO 0.52 -1.24 1.28 -0.67 0.00 0.00 0.00 174.94 174.82 2k5j n ASP 8 N 7.22 -1.43 -0.48 3.58 4.64 -1.26 -5.15 116.55 123.67 2k5j n ASP 8 Ca -0.04 -2.15 0.05 0.00 -1.38 0.00 0.00 54.79 51.27 2k5j n ASP 8 Cb 0.45 1.24 -0.01 0.00 -1.04 0.00 0.00 41.12 41.76 2k5j n ASP 8 CO 0.00 0.00 0.00 0.23 -0.82 0.00 0.00 177.20 176.61 2k5j n MET 9 N 0.15 -0.75 -4.51 -0.67 2.81 -1.26 -4.84 117.12 108.05 2k5j n MET 9 Ca -0.09 0.50 -0.22 0.00 -1.81 0.00 0.00 57.70 56.08 2k5j n MET 9 Cb 0.73 -0.92 -0.16 0.00 -0.71 0.00 0.00 33.22 32.16 2k5j n MET 9 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2k5j s GLY 10 N -2.92 0.64 0.04 3.03 0.00 -1.26 -5.14 107.32 101.71 2k5j s GLY 10 Ca 0.00 -0.43 -0.19 0.00 0.00 0.00 0.00 44.72 44.11 2k5j s GLY 10 CO 0.00 -0.14 0.54 1.09 0.00 0.00 0.00 173.10 174.59 2k5j s ARG 11 N 0.18 4.18 0.03 2.90 1.70 -1.26 -5.08 118.95 121.59 2k5j s ARG 11 Ca -0.04 0.68 0.02 0.00 -0.47 0.00 0.00 55.73 55.92 2k5j s ARG 11 Cb -0.10 -3.26 -0.02 0.00 -0.57 0.00 0.00 34.95 31.01 2k5j s ARG 11 CO 0.01 0.59 -0.07 0.42 -1.08 0.00 0.00 175.30 175.17 2k5j s ILE 12 N -0.89 0.46 -0.18 4.99 1.01 -1.26 -5.14 121.20 120.18 2k5j s ILE 12 Ca 0.28 -0.79 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 2k5j s ILE 12 Cb -0.19 -0.50 -0.05 0.00 0.01 0.00 0.00 42.46 41.74 2k5j s ILE 12 CO 0.18 -0.24 0.13 -0.76 0.00 0.00 0.00 174.94 174.25 2k5j s LEU 13 N -1.11 4.21 -0.08 2.97 1.02 -1.26 -5.09 118.68 119.34 2k5j s LEU 13 Ca -0.07 0.26 0.03 0.00 0.02 0.00 0.00 54.13 54.38 2k5j s LEU 13 Cb -0.07 -2.08 0.01 0.00 0.02 0.00 0.00 46.19 44.06 2k5j s LEU 13 CO 0.00 0.22 -0.19 -0.22 0.02 0.00 0.00 176.35 176.19 2k5j s LEU 14 N 0.12 1.89 -0.22 1.79 2.96 -1.26 -5.12 118.68 118.84 2k5j s LEU 14 Ca 0.09 -0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 53.48 2k5j s LEU 14 Cb -0.11 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.40 2k5j s LEU 14 CO -0.01 0.10 0.09 -1.81 -1.32 0.00 0.00 176.35 173.40 2k5j s ASP 15 N 0.47 5.59 0.44 3.68 1.01 -1.26 -5.10 116.67 121.51 2k5j s ASP 15 Ca -0.17 0.00 0.05 0.00 0.71 0.00 0.00 52.55 53.14 2k5j s ASP 15 Cb -0.17 -1.98 0.05 0.00 1.01 0.00 0.00 42.92 41.82 2k5j s ASP 15 CO 0.06 0.09 0.38 0.18 0.21 0.00 0.00 175.17 176.09 2k5j n LEU 16 N 4.12 0.00 -0.80 1.23 7.99 -1.26 -5.04 117.00 123.24 2k5j n LEU 16 Ca -0.16 -2.24 0.08 0.00 -0.01 0.00 0.00 56.01 53.68 2k5j n LEU 16 Cb 0.52 -0.09 0.16 0.00 -0.11 0.00 0.00 43.42 43.90 2k5j n LEU 16 CO 0.34 -0.55 0.61 -1.20 -1.51 0.00 0.00 177.39 175.08 2k5j n SER 17 N -1.97 2.93 0.00 -1.43 7.64 -1.26 -4.98 113.62 114.54 2k5j n SER 17 Ca 0.01 -1.87 0.00 0.00 1.01 0.00 0.00 58.87 58.02 2k5j n SER 17 Cb 0.50 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 2k5j n SER 17 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2k5j n ASN 18 N 0.92 0.00 0.25 6.43 3.02 -1.26 -4.44 115.26 120.17 2k5j n ASN 18 Ca 0.14 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.81 2k5j n ASN 18 Cb 0.46 0.00 0.77 0.00 -0.61 0.00 0.00 39.78 40.40 2k5j n ASN 18 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2k5j h GLU 19 N 0.00 0.00 -0.22 3.52 -0.00 -2.02 -1.22 114.58 114.64 2k5j h GLU 19 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 59.36 59.18 2k5j h GLU 19 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 2k5j h GLU 19 CO 0.00 0.00 -0.55 0.28 -0.00 0.00 0.00 179.01 178.74 2k5j h VAL 20 N 0.00 1.30 -0.95 -1.06 2.07 -1.97 -3.10 116.25 112.53 2k5j h VAL 20 Ca 0.03 -1.76 0.20 0.00 0.82 0.00 0.00 66.70 65.99 2k5j h VAL 20 Cb 0.15 1.81 -0.08 0.00 -1.52 0.00 0.00 31.29 31.65 2k5j h VAL 20 CO -0.00 0.56 0.61 0.40 0.02 0.00 0.00 177.57 179.16 2k5j h ILE 21 N 0.50 0.69 -0.46 4.57 2.04 -1.58 0.57 117.51 123.83 2k5j h ILE 21 Ca -0.01 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.58 2k5j h ILE 21 Cb 1.17 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2k5j h ILE 21 CO 0.12 0.10 -0.07 0.50 0.00 0.00 0.00 178.15 178.80 2k5j h LYS 22 N 0.56 0.81 -0.05 2.37 3.64 -1.48 0.16 116.57 122.57 2k5j h LYS 22 Ca 0.52 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2k5j h LYS 22 Cb 1.07 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.81 2k5j h LYS 22 CO -0.26 0.86 0.02 1.96 -2.27 0.00 0.00 179.45 179.76 2k5j h GLN 23 N 0.74 0.08 -0.31 1.90 1.08 0.08 -2.36 115.11 116.32 2k5j h GLN 23 Ca 0.13 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.25 2k5j h GLN 23 Cb 0.54 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 2k5j h GLN 23 CO 0.03 0.23 -0.07 -0.07 -0.95 0.00 0.00 178.83 178.00 2k5j h LEU 24 N -0.09 0.48 -0.83 1.46 3.38 -0.97 -2.64 115.31 116.10 2k5j h LEU 24 Ca 0.02 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.93 2k5j h LEU 24 Cb 0.18 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 2k5j h LEU 24 CO -0.00 0.60 0.52 0.44 0.09 0.00 0.00 178.44 180.09 2k5j h ASP 25 N 0.47 0.84 -0.54 -0.43 3.45 -0.37 0.42 116.42 120.26 2k5j h ASP 25 Ca 0.09 0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.53 2k5j h ASP 25 Cb 0.42 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 38.99 2k5j h ASP 25 CO 0.02 0.55 0.24 -0.78 -1.57 0.00 0.00 179.24 177.71 2k5j h ASP 26 N 0.98 0.76 1.01 6.45 -0.00 -1.06 -1.82 116.42 122.75 2k5j h ASP 26 Ca 0.35 -0.09 -0.14 0.00 -0.00 0.00 0.00 57.03 57.15 2k5j h ASP 26 Cb 0.10 -0.20 -0.02 0.00 -0.00 0.00 0.00 39.33 39.22 2k5j h ASP 26 CO -0.15 0.68 -0.68 -0.07 -0.00 0.00 0.00 179.24 179.02 2k5j h LEU 27 N 0.83 0.00 -0.54 2.28 3.38 -1.07 -3.18 115.31 117.00 2k5j h LEU 27 Ca 0.20 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 2k5j h LEU 27 Cb 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2k5j h LEU 27 CO -0.02 0.68 -0.11 -0.08 0.09 0.00 0.00 178.44 178.99 2k5j h GLU 28 N 0.00 1.04 -0.01 1.13 4.22 0.58 -0.57 114.58 120.97 2k5j h GLU 28 Ca -0.01 -0.39 -0.00 0.00 0.08 0.00 0.00 59.36 59.04 2k5j h GLU 28 Cb 1.37 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 2k5j h GLU 28 CO 0.09 1.08 0.00 0.28 -2.18 0.00 0.00 179.01 178.28 2k5j h VAL 29 N 0.92 1.18 -0.66 0.32 2.07 -1.41 0.95 116.25 119.60 2k5j h VAL 29 Ca 0.14 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 2k5j h VAL 29 Cb 0.69 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 2k5j h VAL 29 CO 0.05 0.14 0.34 1.56 0.02 0.00 0.00 177.57 179.67 2k5j h GLN 30 N -0.20 0.94 0.00 1.57 1.08 -1.53 -2.18 115.11 114.79 2k5j h GLN 30 Ca 0.00 -0.13 -0.09 0.00 -1.45 0.00 0.00 58.65 56.98 2k5j h GLN 30 Cb 0.22 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2k5j h GLN 30 CO -0.00 0.73 -0.45 0.00 -0.95 0.00 0.00 178.83 178.16 2k5j h ARG 31 N 0.91 0.00 -6.13 1.46 2.47 -0.99 -3.47 114.38 108.63 2k5j h ARG 31 Ca 0.23 0.00 -0.44 0.00 -1.26 0.00 0.00 59.98 58.51 2k5j h ARG 31 Cb 0.09 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.44 2k5j h ARG 31 CO -0.03 0.45 -0.76 0.09 0.56 0.00 0.00 179.97 180.27 2k5j n ASN 32 N -3.49 -4.01 -4.06 7.04 3.02 0.33 -4.98 115.26 109.11 2k5j n ASN 32 Ca 0.00 -0.74 -0.10 0.00 -0.03 0.00 0.00 54.58 53.71 2k5j n ASN 32 Cb 0.58 -4.21 -0.11 0.00 -0.61 0.00 0.00 39.78 35.43 2k5j n ASN 32 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2k5j s LEU 33 N -7.08 2.35 0.63 3.41 1.43 -1.18 -5.06 118.68 113.17 2k5j s LEU 33 Ca 0.44 -0.71 -0.19 0.00 -1.03 0.00 0.00 54.13 52.64 2k5j s LEU 33 Cb -0.22 0.01 -0.02 0.00 0.03 0.00 0.00 46.19 46.00 2k5j s LEU 33 CO 0.80 -0.37 1.27 -0.81 0.23 0.00 0.00 176.35 177.47 2k5j n PRO 34 N 0.94 1.19 -0.03 1.29 -0.04 -1.26 -4.86 135.00 132.23 2k5j n PRO 34 Ca -0.19 0.46 -0.10 0.00 -0.04 0.00 0.00 63.50 63.63 2k5j n PRO 34 Cb 0.57 -2.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.50 2k5j n PRO 34 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2k5j h ARG 35 N 0.68 0.15 -0.95 0.54 2.43 -1.99 -2.23 114.38 113.01 2k5j h ARG 35 Ca -0.51 -0.01 0.28 0.00 -0.81 0.00 0.00 59.98 58.94 2k5j h ARG 35 Cb 1.34 -0.03 -0.15 0.00 -0.42 0.00 0.00 29.97 30.71 2k5j h ARG 35 CO 0.53 0.10 0.43 0.00 -1.51 0.00 0.00 179.97 179.53 2k5j h ALA 36 N 1.10 1.67 -0.68 2.80 0.00 -2.00 0.95 119.26 123.12 2k5j h ALA 36 Ca 0.07 0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 2k5j h ALA 36 Cb 0.04 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2k5j h ALA 36 CO -0.07 -0.52 0.12 0.22 0.00 0.00 0.00 179.25 179.00 2k5j h ASP 37 N 0.29 1.06 -0.62 0.00 -0.00 -1.77 -1.85 116.42 113.53 2k5j h ASP 37 Ca 0.66 -0.25 -0.05 0.00 -0.00 0.00 0.00 57.03 57.38 2k5j h ASP 37 Cb 1.43 -0.28 -0.03 0.00 -0.00 0.00 0.00 39.33 40.46 2k5j h ASP 37 CO -0.63 1.04 0.18 -0.07 -0.00 0.00 0.00 179.24 179.77 2k5j h LEU 38 N 1.03 0.91 -0.14 2.28 3.38 0.11 -1.45 115.31 121.43 2k5j h LEU 38 Ca 0.21 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k5j h LEU 38 Cb 0.42 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2k5j h LEU 38 CO 0.01 0.88 0.07 -0.07 0.09 0.00 0.00 178.44 179.42 2k5j h LEU 39 N 0.89 0.18 -0.64 1.67 3.38 -0.62 0.15 115.31 120.31 2k5j h LEU 39 Ca 0.20 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.09 2k5j h LEU 39 Cb 0.30 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 2k5j h LEU 39 CO -0.00 0.25 0.38 -0.09 0.09 0.00 0.00 178.44 179.06 2k5j h ARG 40 N 0.10 0.71 -0.66 1.13 2.43 -1.21 -0.39 114.38 116.48 2k5j h ARG 40 Ca 0.05 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2k5j h ARG 40 Cb 0.12 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 2k5j h ARG 40 CO -0.01 0.47 0.09 0.93 -1.51 0.00 0.00 179.97 179.94 2k5j h GLU 41 N 0.73 1.11 0.10 0.20 5.08 -1.01 0.37 114.58 121.16 2k5j h GLU 41 Ca 0.27 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2k5j h GLU 41 Cb 0.08 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2k5j h GLU 41 CO -0.13 1.03 -0.05 0.00 -1.00 0.00 0.00 179.01 178.86 2k5j h ALA 42 N 1.04 -0.13 0.32 3.43 0.00 0.07 0.26 119.26 124.25 2k5j h ALA 42 Ca 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2k5j h ALA 42 Cb 0.47 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2k5j h ALA 42 CO 0.02 -0.56 -0.15 0.28 0.00 0.00 0.00 179.25 178.83 2k5j h VAL 43 N -0.16 0.71 -0.38 0.00 2.07 -1.01 0.28 116.25 117.76 2k5j h VAL 43 Ca -0.01 -0.33 0.08 0.00 0.82 0.00 0.00 66.70 67.26 2k5j h VAL 43 Cb 0.13 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 30.71 2k5j h VAL 43 CO 0.02 0.07 -0.13 -0.78 0.02 0.00 0.00 177.57 176.77 2k5j h ASP 44 N -0.60 -0.45 -0.76 0.57 -0.00 -0.87 0.42 116.42 114.72 2k5j h ASP 44 Ca -0.04 0.13 -0.02 0.00 -0.00 0.00 0.00 57.03 57.10 2k5j h ASP 44 Cb 0.44 0.27 -0.04 0.00 -0.00 0.00 0.00 39.33 40.01 2k5j h ASP 44 CO 0.07 -0.16 0.41 1.56 -0.00 0.00 0.00 179.24 181.12 2k5j h GLN 45 N -0.05 1.07 -0.44 0.28 4.20 -0.39 -1.50 115.11 118.28 2k5j h GLN 45 Ca 0.19 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 2k5j h GLN 45 Cb 0.33 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2k5j h GLN 45 CO -0.42 0.80 0.27 -0.92 -0.67 0.00 0.00 178.83 177.89 2k5j h TYR 46 N 1.06 0.58 -0.72 2.96 3.20 0.12 -0.91 116.97 123.27 2k5j h TYR 46 Ca 0.27 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 2k5j h TYR 46 Cb 0.04 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.09 2k5j h TYR 46 CO 0.00 0.41 0.41 -0.07 -1.64 0.00 0.00 178.16 177.26 2k5j h LEU 47 N 0.58 0.89 -0.33 2.82 3.38 0.11 0.13 115.31 122.89 2k5j h LEU 47 Ca 0.16 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2k5j h LEU 47 Cb -0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2k5j h LEU 47 CO -0.03 0.72 0.17 0.40 0.09 0.00 0.00 178.44 179.79 2k5j h ILE 48 N 0.99 1.15 -0.70 1.22 2.04 -0.91 0.18 117.51 121.49 2k5j h ILE 48 Ca 0.26 -0.43 -0.07 0.00 1.00 0.00 0.00 64.86 65.62 2k5j h ILE 48 Cb 0.02 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 2k5j h ILE 48 CO -0.04 0.16 0.18 -1.13 0.00 0.00 0.00 178.15 177.32 2k5j h ASN 49 N 0.41 1.05 -0.57 1.72 -0.73 -0.86 -2.64 115.58 113.96 2k5j h ASN 49 Ca 0.12 -0.23 -0.02 0.00 1.87 0.00 0.00 56.30 58.03 2k5j h ASN 49 Cb 0.10 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.39 2k5j h ASN 49 CO -0.02 1.01 0.26 1.56 -0.37 0.00 0.00 177.43 179.87 2k5j h GLN 50 N 1.05 0.84 -0.68 6.67 1.08 -0.41 -2.33 115.11 121.32 2k5j h GLN 50 Ca 0.22 -0.13 0.05 0.00 -1.45 0.00 0.00 58.65 57.34 2k5j h GLN 50 Cb 0.36 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.60 2k5j h GLN 50 CO 0.00 0.69 0.45 0.77 -0.95 0.00 0.00 178.83 179.79 2k5j h SER 51 N 0.78 0.65 0.06 1.46 0.02 -0.73 0.33 113.55 116.13 2k5j h SER 51 Ca 0.20 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2k5j h SER 51 Cb 0.14 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2k5j h SER 51 CO -0.02 0.43 -0.03 -0.61 -1.14 0.00 0.00 176.83 175.46 2k5j h GLN 52 N 0.75 -0.08 -0.22 3.45 -0.00 -1.07 -3.02 115.11 114.92 2k5j h GLN 52 Ca 0.28 0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.90 2k5j h GLN 52 Cb 0.18 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.67 2k5j h GLN 52 CO -0.09 -0.06 -0.00 1.15 0.00 0.00 0.00 178.83 179.84 2k5j h THR 53 N -0.09 1.26 -2.47 2.39 2.02 -1.27 -3.37 112.91 111.38 2k5j h THR 53 Ca -0.00 -0.89 -0.66 0.00 0.77 0.00 0.00 66.41 65.62 2k5j h THR 53 Cb 0.07 1.41 -0.16 0.00 -1.74 0.00 0.00 68.15 67.73 2k5j h THR 53 CO 0.01 0.27 0.72 0.00 0.37 0.00 0.00 175.52 176.89 2k5j s ALA 54 N -4.98 3.24 0.00 6.16 0.00 0.06 -4.84 121.76 121.40 2k5j s ALA 54 Ca -0.14 -2.36 0.00 0.00 0.00 0.00 0.00 51.96 49.46 2k5j s ALA 54 Cb 0.07 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 19.22 2k5j s ALA 54 CO 0.74 -2.90 0.00 0.54 0.00 0.00 0.00 175.76 174.14 2k5j n ARG 55 N 7.09 0.00 0.00 0.00 5.12 -1.25 -4.64 116.66 122.98 2k5j n ARG 55 Ca 0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 2k5j n ARG 55 Cb 0.47 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.77 2k5j n ARG 55 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 2k5j n THR 56 N -0.93 0.00 -2.07 0.55 5.66 -1.26 -5.00 114.28 111.24 2k5j n THR 56 Ca 0.00 -0.11 -0.10 0.00 -3.05 0.00 0.00 64.05 60.79 2k5j n THR 56 Cb 0.00 1.64 -0.02 0.00 -1.55 0.00 0.00 70.33 70.41 2k5j n THR 56 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2k5j n SER 57 N -0.04 -3.08 -1.82 1.09 7.64 -1.26 -4.24 113.62 111.91 2k5j n SER 57 Ca 0.00 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2k5j n SER 57 Cb 0.16 -2.76 0.00 0.00 -1.01 0.00 0.00 64.21 60.60 2k5j n SER 57 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2k5j n VAL 58 N -2.70 -5.81 -2.43 0.44 0.31 -1.26 -4.88 118.33 102.01 2k5j n VAL 58 Ca -0.11 2.68 -0.39 0.00 -0.01 0.00 0.00 64.34 66.51 2k5j n VAL 58 Cb 0.50 -3.58 -0.04 0.00 -0.91 0.00 0.00 33.84 29.82 2k5j n VAL 58 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2k5j s PRO 59 N -2.88 4.38 0.00 5.55 0.04 -1.26 -5.02 135.00 135.82 2k5j s PRO 59 Ca 0.00 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.81 2k5j s PRO 59 Cb 0.00 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.62 2k5j s PRO 59 CO 0.00 -0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.44 2k5j n GLY 60 N 0.85 0.00 3.35 0.56 0.00 -1.26 -5.13 105.19 103.56 2k5j n GLY 60 Ca 0.02 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 2k5j n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k5j s ILE 61 N -2.00 4.03 -0.11 -0.61 1.01 -1.26 -4.94 121.20 117.32 2k5j s ILE 61 Ca 0.00 -0.69 0.22 0.00 0.00 0.00 0.00 60.65 60.18 2k5j s ILE 61 Cb 0.00 -3.08 -0.22 0.00 0.01 0.00 0.00 42.46 39.16 2k5j s ILE 61 CO 0.00 0.06 0.64 -2.67 0.00 0.00 0.00 174.94 172.97 2k5j n TRP 62 N 4.88 0.35 -2.59 3.97 2.14 -1.26 -4.72 117.44 120.21 2k5j n TRP 62 Ca -0.14 0.10 -0.42 0.00 2.07 0.00 0.00 57.50 59.11 2k5j n TRP 62 Cb 0.48 -0.71 -0.01 0.00 -0.81 0.00 0.00 31.31 30.26 2k5j n TRP 62 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2k5j s GLN 63 N -3.37 3.80 0.87 -2.67 0.74 -1.26 -4.98 119.66 112.79 2k5j s GLN 63 Ca -0.06 -1.60 -0.13 0.00 0.05 0.00 0.00 55.36 53.62 2k5j s GLN 63 Cb 0.12 -5.43 0.12 0.00 1.10 0.00 0.00 33.01 28.92 2k5j s GLN 63 CO 0.86 -2.21 1.20 0.20 -0.55 0.00 0.00 175.29 174.79 2k5j s GLY 64 N 4.53 1.62 -0.65 2.59 0.00 -1.26 -4.98 107.32 109.16 2k5j s GLY 64 Ca 0.50 -0.73 -0.23 0.00 0.00 0.00 0.00 44.72 44.25 2k5j s GLY 64 CO -0.01 -0.17 1.00 0.00 0.00 0.00 0.00 173.10 173.92 2k5j h GLU 66 N 9.59 0.81 -4.76 0.00 5.08 -2.01 -3.42 114.58 119.86 2k5j h GLU 66 Ca -0.28 -0.36 -0.56 0.00 -1.00 0.00 0.00 59.36 57.16 2k5j h GLU 66 Cb 1.07 -0.02 -0.34 0.00 0.50 0.00 0.00 28.75 29.96 2k5j h GLU 66 CO 1.18 0.99 -0.83 -1.21 -1.00 0.00 0.00 179.01 178.13 2k5j s GLU 67 N -4.53 2.09 0.00 2.33 2.02 -1.26 -5.00 118.70 114.35 2k5j s GLU 67 Ca -0.10 -0.54 0.22 0.00 0.02 0.00 0.00 54.97 54.57 2k5j s GLU 67 Cb 0.12 -1.68 0.65 0.00 0.10 0.00 0.00 34.13 33.32 2k5j s GLU 67 CO 0.85 0.05 1.50 -0.40 0.02 0.00 0.00 175.26 177.28 2k5j n ASP 68 N 3.81 2.16 0.00 -0.19 3.85 -1.26 -5.04 116.55 119.88 2k5j n ASP 68 Ca -0.21 -1.79 0.00 0.00 -0.71 0.00 0.00 54.79 52.08 2k5j n ASP 68 Cb 0.52 -0.13 0.00 0.00 -1.35 0.00 0.00 41.12 40.15 2k5j n ASP 68 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2k5j n GLY 69 N 1.23 1.90 2.88 6.12 0.00 -1.26 -5.07 105.19 110.98 2k5j n GLY 69 Ca 0.17 -1.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 2k5j n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5j s VAL 70 N -2.72 0.04 -0.24 1.61 0.11 -1.26 -5.15 120.40 112.79 2k5j s VAL 70 Ca 0.00 -0.02 -0.22 0.00 -2.93 0.00 0.00 61.98 58.81 2k5j s VAL 70 Cb 0.00 -0.04 0.06 0.00 -1.53 0.00 0.00 36.38 34.87 2k5j s VAL 70 CO 0.00 0.01 0.64 -1.83 -3.33 0.00 0.00 175.10 170.59 2k5j s GLU 71 N -0.01 0.74 0.00 1.54 -1.05 -1.26 -5.14 118.70 113.52 2k5j s GLU 71 Ca 0.00 0.90 0.00 0.00 -0.15 0.00 0.00 54.97 55.72 2k5j s GLU 71 Cb -0.00 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 34.04 2k5j s GLU 71 CO -0.00 -0.09 0.00 0.66 0.95 0.00 0.00 175.26 176.78 2k5j n TYR 72 N 2.79 0.00 -3.65 4.83 4.02 -1.26 -4.90 117.16 118.99 2k5j n TYR 72 Ca -0.14 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.53 2k5j n TYR 72 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.88 2k5j n TYR 72 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2k5j n GLN 73 N 0.00 -1.55 -2.95 -0.72 -0.06 -1.26 -4.90 117.38 105.94 2k5j n GLN 73 Ca 0.00 0.93 -0.40 0.00 -2.00 0.00 0.00 57.00 55.54 2k5j n GLN 73 Cb 0.00 -2.84 -0.06 0.00 -4.06 0.00 0.00 30.24 23.28 2k5j n GLN 73 CO 0.00 0.00 0.00 0.50 -0.20 0.00 0.00 177.06 177.36 2k5j s ARG 74 N -4.45 4.61 0.24 3.69 3.52 -1.26 -5.04 118.95 120.26 2k5j s ARG 74 Ca 0.03 1.21 -0.30 0.00 -0.13 0.00 0.00 55.73 56.54 2k5j s ARG 74 Cb -0.00 -3.27 -0.09 0.00 -1.56 0.00 0.00 34.95 30.03 2k5j s ARG 74 CO 0.87 0.55 0.93 -1.59 -0.81 0.00 0.00 175.30 175.26 2k5j s LYS 75 N -1.12 4.84 0.00 5.12 -2.85 -1.26 -5.04 119.74 119.43 2k5j s LYS 75 Ca 0.37 1.47 0.00 0.00 -1.00 0.00 0.00 55.97 56.81 2k5j s LYS 75 Cb -0.23 -3.27 0.00 0.00 -2.06 0.00 0.00 37.83 32.26 2k5j s LYS 75 CO 0.27 0.52 0.00 1.28 0.10 0.00 0.00 175.35 177.52 2k5j n LEU 76 N 1.48 0.00 0.04 2.77 4.32 -1.26 -4.87 117.00 119.48 2k5j n LEU 76 Ca -0.02 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 55.92 2k5j n LEU 76 Cb 0.47 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.25 2k5j n LEU 76 CO 0.50 0.00 0.12 0.03 -1.22 0.00 0.00 177.39 176.82 2k5j h ARG 77 N 0.00 -0.20 -6.50 3.23 2.47 -2.07 -3.48 114.38 107.83 2k5j h ARG 77 Ca 0.00 0.01 -0.39 0.00 -1.26 0.00 0.00 59.98 58.34 2k5j h ARG 77 Cb 0.00 0.05 0.02 0.00 -1.65 0.00 0.00 29.97 28.38 2k5j h ARG 77 CO 0.00 -0.06 -1.21 -1.91 0.56 0.00 0.00 179.97 177.36 2k5j n GLU 78 N -4.91 -1.89 0.00 0.04 4.07 -1.26 -4.96 120.64 111.73 2k5j n GLU 78 Ca -0.03 1.38 0.00 0.00 -0.06 0.00 0.00 57.16 58.45 2k5j n GLU 78 Cb 0.12 -1.96 0.00 0.00 -0.06 0.00 0.00 31.44 29.54 2k5j n GLU 78 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2k5j n GLU 79 N -0.21 0.00 0.00 5.31 1.02 -1.26 -5.18 120.64 120.32 2k5j n GLU 79 Ca -0.09 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.20 2k5j n GLU 79 Cb 0.68 -0.01 0.93 0.00 -0.02 0.00 0.00 31.44 33.02 2k5j n GLU 79 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22