#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5j s ASN 2 N 0.00 -0.27 0.16 6.12 4.22 -1.26 -5.04 114.94 118.87 2k5j s ASN 2 Ca 0.00 0.65 -0.13 0.00 -2.14 0.00 0.00 52.86 51.24 2k5j s ASN 2 Cb 0.00 0.57 0.06 0.00 1.28 0.00 0.00 41.25 43.16 2k5j s ASN 2 CO 0.00 -0.18 1.74 -1.28 -2.04 0.00 0.00 177.10 175.34 2k5j h SER 3 N 7.33 0.71 -5.75 3.54 0.87 -2.14 -3.48 113.55 114.63 2k5j h SER 3 Ca -0.36 -0.13 -0.14 0.00 -1.23 0.00 0.00 61.79 59.92 2k5j h SER 3 Cb 1.16 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.94 2k5j h SER 3 CO 0.32 0.64 -0.77 -0.11 -0.53 0.00 0.00 176.83 176.38 2k5j n LEU 4 N -4.57 -5.97 -4.76 2.23 7.94 -1.26 -4.91 117.00 105.69 2k5j n LEU 4 Ca 0.03 0.29 -0.39 0.00 -1.11 0.00 0.00 56.01 54.82 2k5j n LEU 4 Cb 0.12 -2.75 -0.04 0.00 0.53 0.00 0.00 43.42 41.28 2k5j n LEU 4 CO 0.37 -1.51 0.78 0.00 -1.11 0.00 0.00 177.39 175.92 2k5j s ALA 5 N -2.18 3.33 0.00 1.96 0.00 -1.26 -4.87 121.76 118.74 2k5j s ALA 5 Ca 0.30 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.12 2k5j s ALA 5 Cb -0.06 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2k5j s ALA 5 CO 0.81 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.79 2k5j n GLY 6 N 1.00 -1.26 0.72 0.00 0.00 -1.26 -5.03 105.19 99.36 2k5j n GLY 6 Ca 0.00 0.36 0.09 0.00 0.00 0.00 0.00 46.02 46.47 2k5j n GLY 6 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2k5j n ILE 7 N 0.00 0.40 0.28 -0.61 -5.35 -1.26 -3.77 119.36 109.04 2k5j n ILE 7 Ca 0.00 -0.49 0.09 0.00 -0.27 0.00 0.00 62.75 62.08 2k5j n ILE 7 Cb 0.00 0.40 0.25 0.00 -1.74 0.00 0.00 39.64 38.56 2k5j n ILE 7 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2k5j n ASP 8 N 0.64 2.95 -2.72 7.28 8.00 -1.26 -4.93 116.55 126.51 2k5j n ASP 8 Ca 0.16 -1.99 -0.09 0.00 0.71 0.00 0.00 54.79 53.58 2k5j n ASP 8 Cb 0.37 -0.35 0.07 0.00 -0.02 0.00 0.00 41.12 41.19 2k5j n ASP 8 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2k5j n MET 9 N 1.12 -1.04 0.01 -1.24 2.81 -1.25 -5.00 117.12 112.54 2k5j n MET 9 Ca 0.19 -0.61 -0.01 0.00 -1.81 0.00 0.00 57.70 55.46 2k5j n MET 9 Cb 0.47 -0.48 -0.10 0.00 -0.71 0.00 0.00 33.22 32.40 2k5j n MET 9 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k5j n GLY 10 N 1.21 -1.15 1.93 3.03 0.00 -1.26 -5.08 105.19 103.88 2k5j n GLY 10 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2k5j n GLY 10 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k5j n ARG 11 N -2.84 -4.59 -3.89 1.61 0.63 -1.26 -5.05 116.66 101.28 2k5j n ARG 11 Ca -0.12 3.28 -0.11 0.00 -0.92 0.00 0.00 57.85 59.97 2k5j n ARG 11 Cb 0.87 -3.67 -0.11 0.00 0.45 0.00 0.00 32.46 30.00 2k5j n ARG 11 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2k5j s ILE 12 N -1.27 0.07 -0.14 5.15 1.01 -1.26 -5.15 121.20 119.61 2k5j s ILE 12 Ca 0.00 -0.58 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 2k5j s ILE 12 Cb 0.00 -0.33 -0.05 0.00 0.01 0.00 0.00 42.46 42.09 2k5j s ILE 12 CO 0.00 -0.32 0.23 -0.76 0.00 0.00 0.00 174.94 174.09 2k5j s LEU 13 N -1.07 4.30 -0.19 2.97 1.02 -1.26 -5.08 118.68 119.37 2k5j s LEU 13 Ca -0.12 0.49 -0.02 0.00 0.02 0.00 0.00 54.13 54.50 2k5j s LEU 13 Cb -0.07 -2.25 -0.00 0.00 0.02 0.00 0.00 46.19 43.89 2k5j s LEU 13 CO 0.01 0.23 -0.09 -0.22 0.02 0.00 0.00 176.35 176.29 2k5j s LEU 14 N -0.13 2.71 -0.38 1.79 2.96 -1.26 -5.09 118.68 119.29 2k5j s LEU 14 Ca 0.15 -0.42 -0.12 0.00 -0.22 0.00 0.00 54.13 53.52 2k5j s LEU 14 Cb -0.13 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 44.93 2k5j s LEU 14 CO 0.04 0.03 0.23 -1.81 -1.32 0.00 0.00 176.35 173.51 2k5j s ASP 15 N 1.16 5.83 0.16 3.68 -0.00 -1.26 -5.08 116.67 121.17 2k5j s ASP 15 Ca 0.02 -0.92 0.01 0.00 -0.00 0.00 0.00 52.55 51.66 2k5j s ASP 15 Cb -0.14 -2.06 0.02 0.00 -0.00 0.00 0.00 42.92 40.73 2k5j s ASP 15 CO -0.03 -0.38 0.15 0.18 -0.00 0.00 0.00 175.17 175.08 2k5j n LEU 16 N 5.04 0.00 -0.85 1.23 4.77 -1.26 -5.03 117.00 120.91 2k5j n LEU 16 Ca -0.12 -0.42 0.09 0.00 -0.03 0.00 0.00 56.01 55.53 2k5j n LEU 16 Cb 0.47 -0.08 0.15 0.00 -2.33 0.00 0.00 43.42 41.62 2k5j n LEU 16 CO 0.37 -0.55 0.61 -1.20 -1.33 0.00 0.00 177.39 175.30 2k5j n SER 17 N -2.90 2.92 0.00 -1.43 7.64 -1.26 -4.96 113.62 113.62 2k5j n SER 17 Ca 0.03 -1.85 0.00 0.00 1.01 0.00 0.00 58.87 58.05 2k5j n SER 17 Cb 0.10 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 1.05 0.00 0.22 6.43 3.02 -1.26 -4.54 115.26 120.18 2k5j n ASN 18 Ca 0.14 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.77 2k5j n ASN 18 Cb 0.48 0.00 0.47 0.00 -0.61 0.00 0.00 39.78 40.12 2k5j n ASN 18 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2k5j h GLU 19 N 0.00 0.00 0.01 3.52 5.08 -2.02 -2.69 114.58 118.48 2k5j h GLU 19 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 2k5j h GLU 19 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2k5j h GLU 19 CO 0.00 0.27 -0.88 0.28 -1.00 0.00 0.00 179.01 177.68 2k5j h VAL 20 N 0.00 1.55 -0.85 3.13 2.07 -1.97 -3.17 116.25 117.01 2k5j h VAL 20 Ca -0.00 -2.77 0.03 0.00 0.82 0.00 0.00 66.70 64.78 2k5j h VAL 20 Cb 0.71 2.53 -0.05 0.00 -1.52 0.00 0.00 31.29 32.96 2k5j h VAL 20 CO 0.03 0.80 0.55 0.40 0.02 0.00 0.00 177.57 179.37 2k5j h ILE 21 N 0.05 1.14 -0.38 4.57 2.04 -1.85 0.12 117.51 123.20 2k5j h ILE 21 Ca -0.03 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 2k5j h ILE 21 Cb 1.52 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2k5j h ILE 21 CO 0.12 0.19 -0.06 0.50 0.00 0.00 0.00 178.15 178.91 2k5j h LYS 22 N 1.06 0.63 -0.10 2.37 3.64 -1.58 0.12 116.57 122.71 2k5j h LYS 22 Ca 0.34 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2k5j h LYS 22 Cb 0.01 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2k5j h LYS 22 CO -0.12 0.69 0.00 1.96 -2.27 0.00 0.00 179.45 179.72 2k5j h GLN 23 N 0.59 0.17 -0.22 1.90 4.20 -1.14 -2.69 115.11 117.91 2k5j h GLN 23 Ca 0.11 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 2k5j h GLN 23 Cb 0.46 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 2k5j h GLN 23 CO 0.02 0.42 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.45 2k5j h LEU 24 N -0.09 0.32 -0.95 1.46 3.38 -0.61 -2.52 115.31 116.30 2k5j h LEU 24 Ca 0.03 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2k5j h LEU 24 Cb 0.34 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 2k5j h LEU 24 CO 0.00 0.45 0.62 0.44 0.09 0.00 0.00 178.44 180.04 2k5j h ASP 25 N 0.33 1.05 -0.61 -0.43 3.45 -0.53 0.43 116.42 120.12 2k5j h ASP 25 Ca 0.07 -0.02 -0.06 0.00 0.43 0.00 0.00 57.03 57.46 2k5j h ASP 25 Cb 0.35 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.84 2k5j h ASP 25 CO 0.02 0.74 0.18 -0.78 -1.57 0.00 0.00 179.24 177.83 2k5j h ASP 26 N 1.23 0.93 0.91 6.45 -0.00 -1.13 -2.20 116.42 122.60 2k5j h ASP 26 Ca 0.37 -0.17 -0.15 0.00 -0.00 0.00 0.00 57.03 57.07 2k5j h ASP 26 Cb -0.06 -0.24 -0.02 0.00 -0.00 0.00 0.00 39.33 39.00 2k5j h ASP 26 CO -0.10 0.88 -0.73 -0.07 -0.00 0.00 0.00 179.24 179.22 2k5j h LEU 27 N 0.95 0.00 -0.64 2.28 4.07 -1.21 -3.19 115.31 117.57 2k5j h LEU 27 Ca 0.21 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 58.06 2k5j h LEU 27 Cb 0.30 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.03 2k5j h LEU 27 CO -0.00 0.73 -0.07 -0.08 -1.08 0.00 0.00 178.44 177.94 2k5j h GLU 28 N 0.00 1.00 -0.03 1.13 4.81 0.30 -2.05 114.58 119.74 2k5j h GLU 28 Ca -0.01 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2k5j h GLU 28 Cb 1.38 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 2k5j h GLU 28 CO 0.10 1.02 0.01 0.28 -0.73 0.00 0.00 179.01 179.68 2k5j h VAL 29 N 0.90 1.19 -0.62 0.32 2.07 -1.43 0.59 116.25 119.26 2k5j h VAL 29 Ca 0.15 -0.57 0.04 0.00 0.82 0.00 0.00 66.70 67.14 2k5j h VAL 29 Cb 0.62 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 2k5j h VAL 29 CO 0.04 0.16 0.35 1.56 0.02 0.00 0.00 177.57 179.70 2k5j h GLN 30 N -0.17 0.66 0.00 1.57 4.20 -1.53 -1.15 115.11 118.68 2k5j h GLN 30 Ca 0.01 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 2k5j h GLN 30 Cb 0.24 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2k5j h GLN 30 CO 0.00 0.44 -0.23 0.00 -0.67 0.00 0.00 178.83 178.36 2k5j h ARG 31 N 0.68 0.00 -6.06 1.46 2.47 -1.27 -3.47 114.38 108.19 2k5j h ARG 31 Ca 0.26 0.00 -0.43 0.00 -1.26 0.00 0.00 59.98 58.56 2k5j h ARG 31 Cb 0.11 0.00 0.06 0.00 -1.65 0.00 0.00 29.97 28.48 2k5j h ARG 31 CO -0.14 0.23 -0.74 -1.71 0.56 0.00 0.00 179.97 178.17 2k5j n ASN 32 N -3.23 -4.77 -4.04 7.04 2.85 0.20 -4.98 115.26 108.33 2k5j n ASN 32 Ca 0.02 -0.68 -0.10 0.00 -0.11 0.00 0.00 54.58 53.71 2k5j n ASN 32 Cb 0.54 -4.44 -0.11 0.00 1.24 0.00 0.00 39.78 37.02 2k5j n ASN 32 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2k5j s LEU 33 N -7.15 2.32 0.42 1.20 1.43 -1.14 -5.05 118.68 110.71 2k5j s LEU 33 Ca 0.51 -0.67 -0.25 0.00 -1.03 0.00 0.00 54.13 52.68 2k5j s LEU 33 Cb -0.24 0.04 -0.10 0.00 0.03 0.00 0.00 46.19 45.92 2k5j s LEU 33 CO 0.78 -0.36 1.26 -0.81 0.23 0.00 0.00 176.35 177.45 2k5j n PRO 34 N 1.08 1.90 -0.06 1.29 -0.04 -1.26 -4.83 135.00 133.08 2k5j n PRO 34 Ca -0.20 0.68 -0.09 0.00 -0.04 0.00 0.00 63.50 63.85 2k5j n PRO 34 Cb 0.57 -2.36 -0.02 0.00 -0.04 0.00 0.00 33.50 31.65 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 2.07 0.24 -0.95 0.54 2.43 -1.97 -2.16 114.38 114.58 2k5j h ARG 35 Ca -0.47 -0.01 0.27 0.00 -0.81 0.00 0.00 59.98 58.95 2k5j h ARG 35 Cb 1.30 -0.05 -0.14 0.00 -0.42 0.00 0.00 29.97 30.65 2k5j h ARG 35 CO 0.60 0.16 0.45 0.00 -1.51 0.00 0.00 179.97 179.66 2k5j h ALA 36 N 1.14 1.65 -0.55 2.80 0.00 -2.00 0.89 119.26 123.19 2k5j h ALA 36 Ca 0.11 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 2k5j h ALA 36 Cb 0.04 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2k5j h ALA 36 CO -0.08 -0.47 0.04 0.22 0.00 0.00 0.00 179.25 178.96 2k5j h ASP 37 N 0.33 0.87 -0.58 0.00 3.58 -1.76 -2.17 116.42 116.69 2k5j h ASP 37 Ca 0.64 -0.21 -0.11 0.00 0.42 0.00 0.00 57.03 57.78 2k5j h ASP 37 Cb 1.36 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 42.16 2k5j h ASP 37 CO -0.59 0.90 -0.06 -0.07 -2.88 0.00 0.00 179.24 176.54 2k5j h LEU 38 N 0.85 1.05 -0.26 2.28 3.38 0.92 -2.44 115.31 121.09 2k5j h LEU 38 Ca 0.17 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2k5j h LEU 38 Cb 0.44 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2k5j h LEU 38 CO 0.02 1.13 0.13 -0.07 0.09 0.00 0.00 178.44 179.74 2k5j h LEU 39 N 0.95 0.33 -0.67 1.67 3.38 -0.59 0.16 115.31 120.54 2k5j h LEU 39 Ca 0.16 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2k5j h LEU 39 Cb 0.63 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 2k5j h LEU 39 CO 0.04 0.35 0.40 -0.09 0.09 0.00 0.00 178.44 179.23 2k5j h ARG 40 N 0.28 0.74 -0.47 1.13 2.43 -1.32 -0.70 114.38 116.47 2k5j h ARG 40 Ca 0.09 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.12 2k5j h ARG 40 Cb 0.11 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2k5j h ARG 40 CO -0.01 0.49 -0.09 0.93 -1.51 0.00 0.00 179.97 179.78 2k5j h GLU 41 N 0.76 0.89 -0.22 0.20 5.08 -1.16 0.50 114.58 120.64 2k5j h GLU 41 Ca 0.28 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2k5j h GLU 41 Cb 0.09 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2k5j h GLU 41 CO -0.14 0.97 0.07 0.00 -1.00 0.00 0.00 179.01 178.92 2k5j h ALA 42 N 0.89 0.24 0.14 3.43 0.00 -0.05 0.54 119.26 124.45 2k5j h ALA 42 Ca 0.12 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2k5j h ALA 42 Cb 0.64 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2k5j h ALA 42 CO 0.04 -0.35 -0.07 0.28 0.00 0.00 0.00 179.25 179.15 2k5j h VAL 43 N 0.17 1.00 -0.42 0.00 2.07 -1.08 0.12 116.25 118.11 2k5j h VAL 43 Ca 0.10 -0.75 0.08 0.00 0.82 0.00 0.00 66.70 66.94 2k5j h VAL 43 Cb 0.07 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 2k5j h VAL 43 CO -0.10 0.17 0.01 0.44 0.02 0.00 0.00 177.57 178.11 2k5j h ASP 44 N -0.56 -0.16 -0.71 0.57 3.32 -0.75 0.37 116.42 118.50 2k5j h ASP 44 Ca -0.02 0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 2k5j h ASP 44 Cb 0.43 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 2k5j h ASP 44 CO 0.03 -0.05 0.27 1.56 -1.72 0.00 0.00 179.24 179.34 2k5j h GLN 45 N 0.11 1.09 -0.97 3.56 4.20 0.11 -2.51 115.11 120.70 2k5j h GLN 45 Ca 0.21 -0.20 0.03 0.00 0.06 0.00 0.00 58.65 58.75 2k5j h GLN 45 Cb 0.30 -0.18 -0.06 0.00 0.30 0.00 0.00 27.48 27.85 2k5j h GLN 45 CO -0.34 0.89 0.63 -0.92 -0.67 0.00 0.00 178.83 178.42 2k5j h TYR 46 N 1.06 1.19 -0.71 2.96 3.20 0.99 -1.56 116.97 124.11 2k5j h TYR 46 Ca 0.24 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.14 2k5j h TYR 46 Cb 0.23 -0.40 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 2k5j h TYR 46 CO 0.02 0.70 0.45 -0.07 -1.64 0.00 0.00 178.16 177.62 2k5j h LEU 47 N 1.24 0.83 -0.20 2.82 3.38 -0.56 0.29 115.31 123.12 2k5j h LEU 47 Ca 0.38 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 2k5j h LEU 47 Cb -0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2k5j h LEU 47 CO -0.12 0.62 0.08 0.40 0.09 0.00 0.00 178.44 179.52 2k5j h ILE 48 N 0.96 1.16 -0.61 1.22 1.08 -1.20 -2.09 117.51 118.03 2k5j h ILE 48 Ca 0.26 -0.49 -0.07 0.00 -0.39 0.00 0.00 64.86 64.17 2k5j h ILE 48 Cb -0.07 1.12 -0.03 0.00 -3.07 0.00 0.00 36.82 34.77 2k5j h ILE 48 CO -0.05 0.16 0.10 -1.13 -0.69 0.00 0.00 178.15 176.53 2k5j h ASN 49 N 0.16 0.94 -0.82 1.72 -0.73 -1.01 -2.67 115.58 113.17 2k5j h ASN 49 Ca 0.07 -0.21 0.03 0.00 1.87 0.00 0.00 56.30 58.06 2k5j h ASN 49 Cb 0.17 -0.25 -0.05 0.00 0.27 0.00 0.00 38.32 38.47 2k5j h ASN 49 CO -0.01 0.94 0.53 -0.61 -0.37 0.00 0.00 177.43 177.91 2k5j h GLN 50 N 0.93 1.00 -0.51 6.67 5.75 -0.19 0.30 115.11 129.06 2k5j h GLN 50 Ca 0.19 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 2k5j h GLN 50 Cb 0.40 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 2k5j h GLN 50 CO 0.01 0.66 0.22 1.03 -2.65 0.00 0.00 178.83 178.10 2k5j h SER 51 N 1.03 0.69 -0.47 -0.69 0.87 -1.09 -2.82 113.55 111.06 2k5j h SER 51 Ca 0.33 -0.15 -0.12 0.00 -1.23 0.00 0.00 61.79 60.61 2k5j h SER 51 Cb 0.01 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 2k5j h SER 51 CO -0.11 0.65 -0.18 -0.61 -0.53 0.00 0.00 176.83 176.05 2k5j h GLN 52 N 0.68 0.98 -5.85 2.24 4.15 -1.08 -3.48 115.11 112.75 2k5j h GLN 52 Ca 0.17 -0.39 -0.09 0.00 0.77 0.00 0.00 58.65 59.11 2k5j h GLN 52 Cb 0.16 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.81 2k5j h GLN 52 CO -0.02 1.07 -0.95 2.41 -1.93 0.00 0.00 178.83 179.41 2k5j n THR 53 N -4.12 -7.14 1.15 2.39 -1.04 1.00 -4.89 114.28 101.62 2k5j n THR 53 Ca 0.01 0.87 0.12 0.00 -2.04 0.00 0.00 64.05 63.00 2k5j n THR 53 Cb 0.44 -5.12 0.25 0.00 -1.82 0.00 0.00 70.33 64.07 2k5j n THR 53 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k5j n ALA 54 N 0.46 3.33 -3.19 2.41 0.00 -1.26 -5.00 120.51 117.27 2k5j n ALA 54 Ca 0.01 -0.47 -0.09 0.00 0.00 0.00 0.00 53.44 52.89 2k5j n ALA 54 Cb 0.40 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2k5j n ALA 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k5j n ARG 55 N -0.61 -1.61 -4.22 0.00 1.74 -1.26 -5.00 116.66 105.70 2k5j n ARG 55 Ca 0.10 1.47 -0.33 0.00 -0.77 0.00 0.00 57.85 58.33 2k5j n ARG 55 Cb 0.38 -4.85 -0.16 0.00 -1.02 0.00 0.00 32.46 26.80 2k5j n ARG 55 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2k5j s THR 56 N -2.83 2.23 -0.05 0.55 2.01 -1.26 -4.93 115.64 111.36 2k5j s THR 56 Ca 0.07 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.20 2k5j s THR 56 Cb -0.02 -1.94 0.06 0.00 0.01 0.00 0.00 72.50 70.62 2k5j s THR 56 CO 0.79 0.53 1.00 -1.20 -0.69 0.00 0.00 174.62 175.05 2k5j n SER 57 N 4.50 -0.98 -4.81 3.53 7.64 -1.26 -5.14 113.62 117.11 2k5j n SER 57 Ca -0.20 -1.86 -0.33 0.00 1.01 0.00 0.00 58.87 57.48 2k5j n SER 57 Cb 0.50 0.33 -0.05 0.00 -1.01 0.00 0.00 64.21 63.99 2k5j n SER 57 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2k5j s VAL 58 N 0.02 4.10 0.64 0.44 -7.23 -1.26 -5.03 120.40 112.08 2k5j s VAL 58 Ca 0.01 1.26 -0.17 0.00 -1.81 0.00 0.00 61.98 61.27 2k5j s VAL 58 Cb 0.07 -3.53 -0.01 0.00 0.56 0.00 0.00 36.38 33.47 2k5j s VAL 58 CO -0.02 -0.33 1.16 -2.16 -0.31 0.00 0.00 175.10 173.43 2k5j s PRO 59 N -3.35 2.80 -0.01 4.82 0.04 -1.26 -4.98 135.00 133.06 2k5j s PRO 59 Ca 0.64 1.62 0.23 0.00 0.04 0.00 0.00 61.00 63.53 2k5j s PRO 59 Cb -0.13 -1.93 0.39 0.00 0.04 0.00 0.00 34.50 32.87 2k5j s PRO 59 CO 0.19 -1.29 1.16 0.41 0.04 0.00 0.00 177.00 177.51 2k5j n GLY 60 N 0.06 1.08 3.27 0.56 0.00 -1.26 -5.07 105.19 103.83 2k5j n GLY 60 Ca 0.12 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 2k5j n GLY 60 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2k5j s ILE 61 N -0.10 2.09 0.11 -0.61 2.07 -1.26 -5.13 121.20 118.37 2k5j s ILE 61 Ca 0.31 -1.05 0.06 0.00 -1.41 0.00 0.00 60.65 58.56 2k5j s ILE 61 Cb 0.36 -1.76 -0.04 0.00 0.13 0.00 0.00 42.46 41.15 2k5j s ILE 61 CO -0.15 0.57 -0.03 0.26 -1.91 0.00 0.00 174.94 173.68 2k5j s TRP 62 N -0.16 2.88 0.25 3.50 0.51 -1.26 -5.08 118.94 119.59 2k5j s TRP 62 Ca -0.04 -0.09 -0.31 0.00 -2.12 0.00 0.00 56.10 53.54 2k5j s TRP 62 Cb -0.14 -1.47 -0.12 0.00 -0.81 0.00 0.00 33.47 30.92 2k5j s TRP 62 CO 0.04 0.47 1.56 1.04 -0.51 0.00 0.00 176.95 179.55 2k5j n GLN 63 N 0.47 2.46 -0.25 4.98 6.02 -1.26 -4.88 117.38 124.92 2k5j n GLN 63 Ca -0.11 0.88 -0.03 0.00 -0.01 0.00 0.00 57.00 57.72 2k5j n GLN 63 Cb 0.53 -2.64 0.08 0.00 1.02 0.00 0.00 30.24 29.23 2k5j n GLN 63 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2k5j h GLY 64 N 5.08 1.01 -0.69 1.08 0.00 -2.07 -3.47 103.07 104.01 2k5j h GLY 64 Ca -0.46 -0.33 0.08 0.00 0.00 0.00 0.00 47.33 46.63 2k5j h GLY 64 CO 0.82 0.28 -0.11 0.00 0.00 0.00 0.00 176.54 177.53 2k5j s GLU 66 N -1.06 0.85 -0.01 0.00 2.02 -1.26 -5.17 118.70 114.07 2k5j s GLU 66 Ca 0.00 -0.92 0.00 0.00 0.02 0.00 0.00 54.97 54.07 2k5j s GLU 66 Cb 0.00 0.35 0.01 0.00 0.10 0.00 0.00 34.13 34.58 2k5j s GLU 66 CO 0.00 -0.27 -0.01 -1.21 0.02 0.00 0.00 175.26 173.79 2k5j s GLU 67 N -3.77 0.12 0.83 1.61 8.01 -1.26 -5.16 118.70 119.08 2k5j s GLU 67 Ca 0.04 0.01 -0.07 0.00 0.01 0.00 0.00 54.97 54.96 2k5j s GLU 67 Cb 0.04 -0.18 0.17 0.00 -4.31 0.00 0.00 34.13 29.85 2k5j s GLU 67 CO -0.11 -0.02 1.14 0.16 0.01 0.00 0.00 175.26 176.44 2k5j s ASP 68 N 0.29 3.72 0.00 -0.19 1.47 -1.26 -5.11 116.67 115.59 2k5j s ASP 68 Ca -0.02 -0.21 0.00 0.00 1.18 0.00 0.00 52.55 53.49 2k5j s ASP 68 Cb -0.04 0.04 0.00 0.00 -0.34 0.00 0.00 42.92 42.57 2k5j s ASP 68 CO -0.01 -2.31 0.00 0.61 0.68 0.00 0.00 175.17 174.15 2k5j n GLY 69 N -3.25 3.03 3.73 2.12 0.00 -1.26 -5.14 105.19 104.42 2k5j n GLY 69 Ca 0.16 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 2k5j n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k5j s VAL 70 N -2.55 3.72 0.14 1.61 1.01 -1.26 -4.87 120.40 118.20 2k5j s VAL 70 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.36 2k5j s VAL 70 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2k5j s VAL 70 CO 0.00 0.19 0.00 1.21 0.00 0.00 0.00 175.10 176.50 2k5j n GLU 71 N 2.89 0.00 -3.05 2.72 4.07 -1.26 -5.09 120.64 120.93 2k5j n GLU 71 Ca 0.05 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.76 2k5j n GLU 71 Cb 0.45 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.78 2k5j n GLU 71 CO 0.00 0.00 0.00 -0.47 -0.06 0.00 0.00 177.13 176.60 2k5j s TYR 72 N -1.45 3.59 0.09 4.31 5.04 -1.26 -5.06 117.35 122.61 2k5j s TYR 72 Ca 0.00 1.26 -0.08 0.00 -2.44 0.00 0.00 57.07 55.81 2k5j s TYR 72 Cb 0.00 -2.80 -0.06 0.00 0.35 0.00 0.00 41.96 39.46 2k5j s TYR 72 CO 0.00 0.11 0.38 -0.65 -1.34 0.00 0.00 175.55 174.05 2k5j s GLN 73 N 0.70 3.71 0.00 4.97 -0.21 -1.26 -5.04 119.66 122.53 2k5j s GLN 73 Ca 0.37 0.09 0.00 0.00 0.02 0.00 0.00 55.36 55.84 2k5j s GLN 73 Cb -0.18 -2.96 0.00 0.00 1.00 0.00 0.00 33.01 30.87 2k5j s GLN 73 CO 0.18 0.54 0.89 0.54 -2.12 0.00 0.00 175.29 175.32 2k5j n ARG 74 N 0.72 0.00 -3.15 2.91 1.74 -1.26 -4.85 116.66 112.77 2k5j n ARG 74 Ca -0.07 0.49 0.05 0.00 -0.77 0.00 0.00 57.85 57.55 2k5j n ARG 74 Cb 0.52 -1.39 -0.00 0.00 -1.02 0.00 0.00 32.46 30.57 2k5j n ARG 74 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2k5j s LYS 75 N -2.55 0.26 0.29 5.56 2.47 -1.26 -5.03 119.74 119.48 2k5j s LYS 75 Ca 0.00 0.32 0.00 0.00 -1.56 0.00 0.00 55.97 54.73 2k5j s LYS 75 Cb 0.00 0.16 0.43 0.00 -1.46 0.00 0.00 37.83 36.96 2k5j s LYS 75 CO 0.00 -0.43 1.81 1.37 0.16 0.00 0.00 175.35 178.26 2k5j h LEU 76 N 7.62 0.69 -9.70 5.43 8.10 -2.04 -3.43 115.31 121.97 2k5j h LEU 76 Ca -0.09 -0.14 -0.53 0.00 0.11 0.00 0.00 57.88 57.22 2k5j h LEU 76 Cb 1.18 -0.18 0.07 0.00 -0.44 0.00 0.00 40.66 41.29 2k5j h LEU 76 CO -0.03 0.73 0.92 -1.14 -4.11 0.00 0.00 178.44 174.81 2k5j n ARG 77 N -4.25 2.66 -3.12 0.17 0.63 -1.26 -4.96 116.66 106.53 2k5j n ARG 77 Ca 0.03 0.95 -0.39 0.00 -0.92 0.00 0.00 57.85 57.52 2k5j n ARG 77 Cb 0.26 -2.76 -0.06 0.00 0.45 0.00 0.00 32.46 30.35 2k5j n ARG 77 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2k5j s GLU 78 N 0.35 4.37 -0.90 -0.14 2.02 -1.26 -5.00 118.70 118.14 2k5j s GLU 78 Ca 0.70 0.94 -0.24 0.00 0.02 0.00 0.00 54.97 56.39 2k5j s GLU 78 Cb -0.52 -3.19 0.05 0.00 0.10 0.00 0.00 34.13 30.56 2k5j s GLU 78 CO 0.40 0.57 1.35 -2.00 0.02 0.00 0.00 175.26 175.61 2k5j s GLU 79 N -1.26 3.42 0.00 1.61 2.12 -1.26 -5.26 118.70 118.06 2k5j s GLU 79 Ca 0.34 -0.81 0.30 0.00 0.36 0.00 0.00 54.97 55.16 2k5j s GLU 79 Cb -0.21 -4.85 1.38 0.00 0.26 0.00 0.00 34.13 30.71 2k5j s GLU 79 CO 0.23 -2.15 1.93 1.87 -0.54 0.00 0.00 175.26 176.59