#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 0.72 -3.39 7.83 2.35 -2.01 -3.46 115.58 117.63 2k5j h ASN 2 Ca 0.00 -0.17 0.02 0.00 -0.55 0.00 0.00 56.30 55.60 2k5j h ASN 2 Cb 0.00 -0.19 -0.23 0.00 0.05 0.00 0.00 38.32 37.95 2k5j h ASN 2 CO 0.00 0.69 0.22 -0.44 -1.65 0.00 0.00 177.43 176.25 2k5j s SER 3 N -6.01 -0.69 -0.99 5.81 0.01 -1.26 -5.00 113.70 105.58 2k5j s SER 3 Ca -0.13 1.24 -0.15 0.00 1.31 0.00 0.00 55.95 58.23 2k5j s SER 3 Cb 0.12 1.27 0.01 0.00 0.21 0.00 0.00 66.02 67.63 2k5j s SER 3 CO 0.78 -0.21 0.67 0.18 0.41 0.00 0.00 173.24 175.07 2k5j n LEU 4 N 3.06 -1.96 -0.25 2.44 4.77 -1.26 -4.86 117.00 118.93 2k5j n LEU 4 Ca -0.15 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 2k5j n LEU 4 Cb 0.56 -1.90 0.00 0.00 -2.33 0.00 0.00 43.42 39.75 2k5j n LEU 4 CO 0.02 0.40 0.15 0.00 -1.33 0.00 0.00 177.39 176.63 2k5j n ALA 5 N -3.58 1.51 0.00 -1.18 0.00 -1.26 -4.95 120.51 111.05 2k5j n ALA 5 Ca -0.19 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2k5j n ALA 5 Cb 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2k5j n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5j n GLY 6 N 0.00 -0.59 3.44 0.00 0.00 -1.26 -4.47 105.19 102.31 2k5j n GLY 6 Ca 0.00 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 2k5j n GLY 6 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k5j s ILE 7 N -2.17 5.25 -0.48 -0.61 -1.09 -1.26 -4.93 121.20 115.92 2k5j s ILE 7 Ca 0.00 -0.74 0.05 0.00 -2.23 0.00 0.00 60.65 57.73 2k5j s ILE 7 Cb 0.00 -3.98 0.24 0.00 -1.58 0.00 0.00 42.46 37.14 2k5j s ILE 7 CO 0.00 -0.38 0.92 -0.90 -1.23 0.00 0.00 174.94 173.35 2k5j n ASP 8 N 5.19 -2.78 -4.88 3.58 3.85 -1.26 -5.12 116.55 115.13 2k5j n ASP 8 Ca -0.11 -3.14 -0.30 0.00 -0.71 0.00 0.00 54.79 50.53 2k5j n ASP 8 Cb 0.46 1.73 0.02 0.00 -1.35 0.00 0.00 41.12 41.98 2k5j n ASP 8 CO 0.00 0.00 0.00 -0.04 -1.01 0.00 0.00 177.20 176.15 2k5j s MET 9 N 0.65 3.26 1.25 0.11 -1.94 -1.26 -4.91 119.30 116.46 2k5j s MET 9 Ca 0.31 0.50 -0.21 0.00 -1.71 0.00 0.00 55.69 54.58 2k5j s MET 9 Cb 0.22 -2.11 0.31 0.00 2.01 0.00 0.00 34.83 35.25 2k5j s MET 9 CO -0.23 -0.71 1.10 0.41 -0.01 0.00 0.00 175.02 175.59 2k5j n GLY 10 N -2.77 -2.80 2.97 -0.03 0.00 -1.26 -5.06 105.19 96.24 2k5j n GLY 10 Ca 0.06 -1.49 -0.24 0.00 0.00 0.00 0.00 46.02 44.35 2k5j n GLY 10 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k5j s ARG 11 N -5.51 1.44 0.06 1.61 3.52 -1.26 -5.14 118.95 113.67 2k5j s ARG 11 Ca 0.72 -0.31 0.06 0.00 -0.13 0.00 0.00 55.73 56.08 2k5j s ARG 11 Cb -0.07 -1.27 -0.03 0.00 -1.56 0.00 0.00 34.95 32.02 2k5j s ARG 11 CO 0.55 -0.04 -0.18 0.42 -0.81 0.00 0.00 175.30 175.24 2k5j s ILE 12 N 0.87 1.43 -0.13 4.11 -1.09 -1.26 -5.14 121.20 119.99 2k5j s ILE 12 Ca -0.11 -1.25 -0.10 0.00 -2.23 0.00 0.00 60.65 56.96 2k5j s ILE 12 Cb -0.15 -1.29 -0.05 0.00 -1.58 0.00 0.00 42.46 39.40 2k5j s ILE 12 CO 0.01 0.00 0.19 -0.76 -1.23 0.00 0.00 174.94 173.15 2k5j s LEU 13 N -1.46 4.33 -0.03 2.97 1.02 -1.26 -5.09 118.68 119.16 2k5j s LEU 13 Ca 0.04 0.47 0.03 0.00 0.02 0.00 0.00 54.13 54.69 2k5j s LEU 13 Cb -0.09 -2.17 -0.00 0.00 0.02 0.00 0.00 46.19 43.95 2k5j s LEU 13 CO 0.02 0.30 -0.12 -0.22 0.02 0.00 0.00 176.35 176.35 2k5j s LEU 14 N -0.47 1.86 -0.15 1.79 2.96 -1.26 -5.13 118.68 118.29 2k5j s LEU 14 Ca 0.14 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.83 2k5j s LEU 14 Cb -0.12 -0.69 0.01 0.00 0.50 0.00 0.00 46.19 45.89 2k5j s LEU 14 CO 0.03 0.11 -0.21 1.51 -1.32 0.00 0.00 176.35 176.47 2k5j s ASP 15 N 0.07 3.05 0.09 3.68 3.84 -1.26 -5.12 116.67 121.01 2k5j s ASP 15 Ca -0.02 -0.60 0.06 0.00 -0.00 0.00 0.00 52.55 51.99 2k5j s ASP 15 Cb -0.09 -1.41 -0.03 0.00 -1.38 0.00 0.00 42.92 40.00 2k5j s ASP 15 CO 0.01 0.06 -0.15 -0.76 -0.00 0.00 0.00 175.17 174.32 2k5j s LEU 16 N 0.94 2.32 0.73 2.11 1.43 -1.26 -5.14 118.68 119.81 2k5j s LEU 16 Ca -0.04 -0.69 -0.14 0.00 -1.03 0.00 0.00 54.13 52.23 2k5j s LEU 16 Cb -0.15 -0.59 0.04 0.00 0.03 0.00 0.00 46.19 45.52 2k5j s LEU 16 CO -0.04 -0.08 1.14 -0.44 0.23 0.00 0.00 176.35 177.16 2k5j s SER 17 N -1.99 4.48 0.45 2.29 0.01 -1.26 -4.90 113.70 112.79 2k5j s SER 17 Ca 0.03 2.09 0.12 0.00 1.31 0.00 0.00 55.95 59.50 2k5j s SER 17 Cb -0.08 -2.56 1.03 0.00 0.21 0.00 0.00 66.02 64.62 2k5j s SER 17 CO 0.03 -2.06 2.06 -0.55 0.41 0.00 0.00 173.24 173.13 2k5j h ASN 18 N -0.49 0.18 -0.40 2.44 7.08 -2.00 -1.34 115.58 121.05 2k5j h ASN 18 Ca -0.46 -0.01 -0.02 0.00 -3.08 0.00 0.00 56.30 52.73 2k5j h ASN 18 Cb 1.26 -0.05 -0.02 0.00 -2.08 0.00 0.00 38.32 37.43 2k5j h ASN 18 CO 0.51 0.19 0.19 -0.33 -2.08 0.00 0.00 177.43 175.91 2k5j h GLU 19 N 0.20 0.63 -0.42 4.14 4.39 -2.01 -2.29 114.58 119.23 2k5j h GLU 19 Ca 0.05 -0.08 -0.11 0.00 0.34 0.00 0.00 59.36 59.56 2k5j h GLU 19 Cb 0.09 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2k5j h GLU 19 CO -0.00 0.52 -0.16 0.28 -1.16 0.00 0.00 179.01 178.49 2k5j h VAL 20 N 0.63 1.28 -0.90 3.13 2.07 -1.60 -2.91 116.25 117.95 2k5j h VAL 20 Ca 0.16 -1.28 0.12 0.00 0.82 0.00 0.00 66.70 66.52 2k5j h VAL 20 Cb 0.11 1.23 -0.08 0.00 -1.52 0.00 0.00 31.29 31.03 2k5j h VAL 20 CO -0.02 0.43 0.53 0.40 0.02 0.00 0.00 177.57 178.93 2k5j h ILE 21 N 0.66 0.85 -0.63 4.57 2.04 -1.25 0.14 117.51 123.89 2k5j h ILE 21 Ca 0.10 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 2k5j h ILE 21 Cb 0.70 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 2k5j h ILE 21 CO 0.05 0.15 0.22 0.50 0.00 0.00 0.00 178.15 179.07 2k5j h LYS 22 N 0.81 0.95 -0.07 2.37 3.64 -1.35 -0.29 116.57 122.64 2k5j h LYS 22 Ca 0.46 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 2k5j h LYS 22 Cb 0.52 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2k5j h LYS 22 CO -0.29 0.80 0.00 1.96 -2.27 0.00 0.00 179.45 179.65 2k5j h GLN 23 N 0.92 0.12 -0.86 1.90 4.20 -0.65 -2.88 115.11 117.86 2k5j h GLN 23 Ca 0.21 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2k5j h GLN 23 Cb 0.23 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.95 2k5j h GLN 23 CO -0.01 0.38 0.55 -0.07 -0.67 0.00 0.00 178.83 179.01 2k5j h LEU 24 N -0.16 1.00 -0.56 1.46 3.38 -0.73 -2.38 115.31 117.32 2k5j h LEU 24 Ca 0.02 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.03 2k5j h LEU 24 Cb 0.33 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 2k5j h LEU 24 CO 0.00 0.74 0.22 -0.78 0.09 0.00 0.00 178.44 178.72 2k5j h ASP 25 N 1.17 0.25 -0.58 -0.43 3.58 -0.91 1.24 116.42 120.74 2k5j h ASP 25 Ca 0.31 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.83 2k5j h ASP 25 Cb -0.10 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 40.95 2k5j h ASP 25 CO -0.06 0.16 0.37 -0.78 -2.88 0.00 0.00 179.24 176.04 2k5j h ASP 26 N 0.42 0.69 0.83 2.28 -0.00 -1.22 0.54 116.42 119.95 2k5j h ASP 26 Ca 0.27 -0.04 -0.13 0.00 -0.00 0.00 0.00 57.03 57.13 2k5j h ASP 26 Cb 0.29 -0.17 -0.02 0.00 -0.00 0.00 0.00 39.33 39.43 2k5j h ASP 26 CO -0.26 0.52 -0.62 -0.07 -0.00 0.00 0.00 179.24 178.82 2k5j h LEU 27 N 0.79 0.00 0.01 2.28 4.07 -1.09 -2.51 115.31 118.87 2k5j h LEU 27 Ca 0.21 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.96 2k5j h LEU 27 Cb -0.05 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.71 2k5j h LEU 27 CO -0.04 0.62 -0.85 -0.08 -1.08 0.00 0.00 178.44 177.01 2k5j h GLU 28 N 0.00 0.55 0.11 1.13 4.22 0.22 -2.96 114.58 117.85 2k5j h GLU 28 Ca -0.01 -0.61 -0.01 0.00 0.08 0.00 0.00 59.36 58.82 2k5j h GLU 28 Cb 1.20 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.63 2k5j h GLU 28 CO 0.08 1.23 -0.05 0.28 -2.18 0.00 0.00 179.01 178.37 2k5j h VAL 29 N 0.13 1.06 -0.63 0.32 2.07 0.03 1.97 116.25 121.19 2k5j h VAL 29 Ca -0.11 -0.68 0.11 0.00 0.82 0.00 0.00 66.70 66.84 2k5j h VAL 29 Cb 1.54 1.49 -0.08 0.00 -1.52 0.00 0.00 31.29 32.72 2k5j h VAL 29 CO 0.17 0.16 0.20 1.56 0.02 0.00 0.00 177.57 179.68 2k5j h GLN 30 N -0.46 0.34 0.07 1.57 1.08 -1.57 -1.71 115.11 114.42 2k5j h GLN 30 Ca -0.01 -0.02 -0.26 0.00 -1.45 0.00 0.00 58.65 56.91 2k5j h GLN 30 Cb 0.38 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 2k5j h GLN 30 CO 0.02 0.22 -1.25 0.00 -0.95 0.00 0.00 178.83 176.88 2k5j h ARG 31 N 0.35 0.14 -5.02 1.46 3.08 -1.47 -3.49 114.38 109.43 2k5j h ARG 31 Ca 0.33 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 2k5j h ARG 31 Cb 0.47 0.09 0.08 0.00 0.08 0.00 0.00 29.97 30.69 2k5j h ARG 31 CO -0.37 1.06 -0.33 -1.71 -1.07 0.00 0.00 179.97 177.54 2k5j n ASN 32 N -3.41 -6.44 -3.75 7.04 5.15 0.67 -5.05 115.26 109.47 2k5j n ASN 32 Ca -0.08 -0.31 -0.10 0.00 -0.60 0.00 0.00 54.58 53.50 2k5j n ASN 32 Cb 1.00 -4.56 -0.06 0.00 -0.53 0.00 0.00 39.78 35.63 2k5j n ASN 32 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 2k5j s LEU 33 N -4.29 0.91 0.40 1.20 0.05 -1.16 -5.05 118.68 110.74 2k5j s LEU 33 Ca 0.18 -0.44 -0.26 0.00 0.05 0.00 0.00 54.13 53.66 2k5j s LEU 33 Cb -0.02 1.43 -0.10 0.00 -2.05 0.00 0.00 46.19 45.44 2k5j s LEU 33 CO 0.63 -0.76 1.33 -0.81 -0.55 0.00 0.00 176.35 176.18 2k5j n PRO 34 N -0.04 2.13 -0.20 1.48 -0.04 -1.26 -4.91 135.00 132.17 2k5j n PRO 34 Ca -0.16 0.75 -0.07 0.00 -0.04 0.00 0.00 63.50 63.99 2k5j n PRO 34 Cb 0.63 -2.45 0.03 0.00 -0.04 0.00 0.00 33.50 31.66 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 2.34 0.78 -0.96 0.54 2.43 -2.00 -2.39 114.38 115.12 2k5j h ARG 35 Ca -0.48 -0.08 0.25 0.00 -0.81 0.00 0.00 59.98 58.86 2k5j h ARG 35 Cb 1.28 -0.16 -0.13 0.00 -0.42 0.00 0.00 29.97 30.54 2k5j h ARG 35 CO 0.61 0.59 0.51 0.00 -1.51 0.00 0.00 179.97 180.17 2k5j h ALA 36 N 1.15 1.69 -0.77 2.80 0.00 -2.00 0.68 119.26 122.83 2k5j h ALA 36 Ca 0.20 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 2k5j h ALA 36 Cb 0.02 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2k5j h ALA 36 CO -0.03 -0.37 0.28 0.22 0.00 0.00 0.00 179.25 179.35 2k5j h ASP 37 N 0.45 1.07 -0.46 0.00 -0.00 -1.80 -1.31 116.42 114.38 2k5j h ASP 37 Ca 0.63 -0.18 -0.05 0.00 -0.00 0.00 0.00 57.03 57.43 2k5j h ASP 37 Cb 1.27 -0.28 -0.02 0.00 -0.00 0.00 0.00 39.33 40.30 2k5j h ASP 37 CO -0.53 0.97 0.09 -0.07 -0.00 0.00 0.00 179.24 179.70 2k5j h LEU 38 N 1.12 0.72 -0.19 2.28 3.38 0.38 -1.70 115.31 121.30 2k5j h LEU 38 Ca 0.25 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2k5j h LEU 38 Cb 0.25 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2k5j h LEU 38 CO -0.02 0.78 0.08 -0.07 0.09 0.00 0.00 178.44 179.31 2k5j h LEU 39 N 0.62 0.25 -0.66 1.67 3.38 -0.74 0.15 115.31 119.99 2k5j h LEU 39 Ca 0.14 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2k5j h LEU 39 Cb 0.36 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 2k5j h LEU 39 CO 0.01 0.32 0.39 -0.09 0.09 0.00 0.00 178.44 179.15 2k5j h ARG 40 N 0.16 0.73 -0.52 1.13 2.43 -1.17 -0.74 114.38 116.40 2k5j h ARG 40 Ca 0.06 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.07 2k5j h ARG 40 Cb 0.14 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 2k5j h ARG 40 CO -0.01 0.48 -0.13 0.93 -1.51 0.00 0.00 179.97 179.73 2k5j h GLU 41 N 0.75 1.00 -0.34 0.20 5.08 -1.08 0.82 114.58 121.02 2k5j h GLU 41 Ca 0.28 -0.38 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 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 1.06 0.20 0.00 -1.00 0.00 0.00 179.01 179.14 2k5j h ALA 42 N 0.95 0.42 0.09 3.43 0.00 0.02 0.38 119.26 124.56 2k5j h ALA 42 Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2k5j h ALA 42 Cb 0.70 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2k5j h ALA 42 CO 0.05 -0.15 -0.04 0.28 0.00 0.00 0.00 179.25 179.39 2k5j h VAL 43 N 0.41 1.14 -0.48 0.00 2.07 -1.05 -2.27 116.25 116.05 2k5j h VAL 43 Ca 0.13 -0.95 0.09 0.00 0.82 0.00 0.00 66.70 66.79 2k5j h VAL 43 Cb -0.01 1.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.43 2k5j h VAL 43 CO -0.06 0.23 0.05 0.44 0.02 0.00 0.00 177.57 178.25 2k5j h ASP 44 N -0.57 -0.10 -0.82 0.57 3.45 -0.70 0.14 116.42 118.39 2k5j h ASP 44 Ca -0.01 0.10 0.07 0.00 0.43 0.00 0.00 57.03 57.62 2k5j h ASP 44 Cb 0.47 0.16 -0.06 0.00 -0.56 0.00 0.00 39.33 39.34 2k5j h ASP 44 CO 0.02 -0.02 0.49 1.56 -1.57 0.00 0.00 179.24 179.72 2k5j h GLN 45 N 0.17 0.85 -0.53 3.56 4.20 -0.24 -0.06 115.11 123.07 2k5j h GLN 45 Ca 0.24 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.87 2k5j h GLN 45 Cb 0.35 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2k5j h GLN 45 CO -0.36 0.56 0.18 -0.92 -0.67 0.00 0.00 178.83 177.62 2k5j h TYR 46 N 0.87 0.83 -0.81 2.96 3.20 -0.41 -2.45 116.97 121.17 2k5j h TYR 46 Ca 0.37 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 62.14 2k5j h TYR 46 Cb 0.23 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 2k5j h TYR 46 CO -0.05 0.70 0.40 -0.07 -1.64 0.00 0.00 178.16 177.50 2k5j h LEU 47 N 0.72 1.05 -0.52 2.82 3.38 0.12 -1.27 115.31 121.61 2k5j h LEU 47 Ca 0.17 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2k5j h LEU 47 Cb 0.24 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2k5j h LEU 47 CO -0.01 0.88 0.33 0.40 0.09 0.00 0.00 178.44 180.14 2k5j h ILE 48 N 1.14 1.14 -0.66 1.22 2.04 -0.79 -2.33 117.51 119.27 2k5j h ILE 48 Ca 0.28 -0.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 2k5j h ILE 48 Cb 0.11 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 2k5j h ILE 48 CO -0.04 0.14 0.13 -1.13 0.00 0.00 0.00 178.15 177.25 2k5j h ASN 49 N 0.70 1.02 0.00 1.72 -1.24 -1.13 -2.28 115.58 114.37 2k5j h ASN 49 Ca 0.19 -0.23 0.00 0.00 0.71 0.00 0.00 56.30 56.97 2k5j h ASN 49 Cb -0.06 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 38.72 2k5j h ASN 49 CO -0.04 1.00 0.00 0.00 -1.29 0.00 0.00 177.43 177.10 2k5j n GLN 50 N -4.22 0.93 -3.64 6.67 1.13 -0.51 -4.45 117.38 113.28 2k5j n GLN 50 Ca 0.05 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 55.02 2k5j n GLN 50 Cb 0.27 -1.14 -0.02 0.00 0.11 0.00 0.00 30.24 29.46 2k5j n GLN 50 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2k5j s SER 51 N 0.73 -0.40 0.00 1.08 0.15 -0.86 -4.91 113.70 109.50 2k5j s SER 51 Ca 0.00 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2k5j s SER 51 Cb 0.00 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 2k5j s SER 51 CO 0.00 -1.12 0.00 0.00 1.20 0.00 0.00 173.24 173.32 2k5j n GLN 52 N -0.41 0.00 0.00 5.44 6.02 -1.26 -3.98 117.38 123.18 2k5j n GLN 52 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 2k5j n GLN 52 Cb 0.62 -2.14 0.00 0.00 1.02 0.00 0.00 30.24 29.74 2k5j n GLN 52 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2k5j n THR 53 N -0.41 0.00 -2.45 5.09 -1.04 -1.26 -4.92 114.28 109.29 2k5j n THR 53 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 2k5j n THR 53 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 2k5j n THR 53 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k5j s ALA 54 N -1.16 3.31 -0.01 2.41 0.00 -1.26 -5.05 121.76 120.01 2k5j s ALA 54 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2k5j s ALA 54 Cb 0.00 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.80 2k5j s ALA 54 CO 0.00 -0.24 -0.01 0.50 0.00 0.00 0.00 175.76 176.01 2k5j s ARG 55 N -1.80 0.14 0.71 0.00 3.52 -1.26 -4.88 118.95 115.37 2k5j s ARG 55 Ca 0.49 0.01 -0.11 0.00 -0.13 0.00 0.00 55.73 55.98 2k5j s ARG 55 Cb -0.30 -0.21 0.01 0.00 -1.56 0.00 0.00 34.95 32.89 2k5j s ARG 55 CO 0.39 -0.03 1.09 0.95 -0.81 0.00 0.00 175.30 176.89 2k5j s THR 56 N 0.34 3.56 0.71 4.11 -4.23 -1.26 -5.05 115.64 113.82 2k5j s THR 56 Ca -0.03 0.51 -0.11 0.00 -1.18 0.00 0.00 61.69 60.87 2k5j s THR 56 Cb -0.05 -3.47 0.02 0.00 1.34 0.00 0.00 72.50 70.33 2k5j s THR 56 CO -0.01 -0.66 1.08 -0.55 -0.54 0.00 0.00 174.62 173.94 2k5j s SER 57 N -4.30 5.31 0.23 3.99 0.15 -1.26 -5.00 113.70 112.82 2k5j s SER 57 Ca 0.58 1.34 -0.30 0.00 0.70 0.00 0.00 55.95 58.27 2k5j s SER 57 Cb -0.11 -2.19 -0.09 0.00 -1.71 0.00 0.00 66.02 61.92 2k5j s SER 57 CO 0.52 -1.45 1.20 0.54 1.20 0.00 0.00 173.24 175.25 2k5j s VAL 58 N -3.20 3.40 0.43 4.45 0.11 -1.26 -4.97 120.40 119.36 2k5j s VAL 58 Ca 0.58 1.25 -0.24 0.00 -2.93 0.00 0.00 61.98 60.65 2k5j s VAL 58 Cb -0.13 -3.80 -0.11 0.00 -1.53 0.00 0.00 36.38 30.82 2k5j s VAL 58 CO 0.54 0.23 0.90 -2.65 -3.33 0.00 0.00 175.10 170.79 2k5j n PRO 59 N 2.02 1.13 -1.11 1.54 -0.02 -1.26 -4.92 135.00 132.38 2k5j n PRO 59 Ca 0.03 0.41 -0.33 0.00 -2.02 0.00 0.00 63.50 61.59 2k5j n PRO 59 Cb 0.44 -1.92 0.13 0.00 -0.02 0.00 0.00 33.50 32.13 2k5j n PRO 59 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2k5j s GLY 60 N -0.82 2.08 0.26 -1.23 0.00 -1.26 -5.04 107.32 101.31 2k5j s GLY 60 Ca 0.64 0.77 0.01 0.00 0.00 0.00 0.00 44.72 46.15 2k5j s GLY 60 CO 0.56 1.19 0.11 -0.26 0.00 0.00 0.00 173.10 174.70 2k5j s ILE 61 N -2.25 0.48 0.61 0.90 -5.25 -1.26 -5.16 121.20 109.27 2k5j s ILE 61 Ca 0.71 -2.00 -0.09 0.00 -0.99 0.00 0.00 60.65 58.29 2k5j s ILE 61 Cb -0.27 -2.61 -0.01 0.00 2.95 0.00 0.00 42.46 42.52 2k5j s ILE 61 CO 0.51 0.00 0.97 -1.66 -1.79 0.00 0.00 174.94 172.97 2k5j s TRP 62 N -3.75 3.43 0.31 1.37 -2.14 -1.26 -5.00 118.94 111.89 2k5j s TRP 62 Ca 0.37 0.96 -0.30 0.00 2.66 0.00 0.00 56.10 59.80 2k5j s TRP 62 Cb 0.07 -2.75 -0.12 0.00 -3.10 0.00 0.00 33.47 27.57 2k5j s TRP 62 CO 0.14 -0.80 1.53 0.00 -2.66 0.00 0.00 176.95 175.17 2k5j n GLN 63 N -2.69 2.58 -3.15 3.25 10.64 -1.26 -4.98 117.38 121.76 2k5j n GLN 63 Ca 0.05 0.91 0.04 0.00 -1.83 0.00 0.00 57.00 56.18 2k5j n GLN 63 Cb 0.56 -2.66 -0.01 0.00 -0.86 0.00 0.00 30.24 27.27 2k5j n GLN 63 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 2k5j s GLY 64 N 0.29 -0.90 0.01 2.61 0.00 -1.26 -5.16 107.32 102.91 2k5j s GLY 64 Ca 0.62 1.91 -0.05 0.00 0.00 0.00 0.00 44.72 47.19 2k5j s GLY 64 CO 0.53 3.61 0.25 0.00 0.00 0.00 0.00 173.10 177.49 2k5j s GLU 66 N -1.85 4.17 -0.38 0.00 0.41 -1.26 -4.95 118.70 114.85 2k5j s GLU 66 Ca 0.28 2.43 -0.20 0.00 -0.41 0.00 0.00 54.97 57.07 2k5j s GLU 66 Cb -0.13 -3.79 0.01 0.00 -1.78 0.00 0.00 34.13 28.43 2k5j s GLU 66 CO 0.17 -0.83 0.59 -2.00 -0.49 0.00 0.00 175.26 172.71 2k5j s GLU 67 N 3.32 3.55 0.17 1.61 2.12 -1.26 -4.94 118.70 123.27 2k5j s GLU 67 Ca 0.79 -0.13 -0.13 0.00 0.36 0.00 0.00 54.97 55.85 2k5j s GLU 67 Cb -0.41 -3.85 0.07 0.00 0.26 0.00 0.00 34.13 30.20 2k5j s GLU 67 CO 0.35 -0.78 1.75 -0.44 -0.54 0.00 0.00 175.26 175.61 2k5j h ASP 68 N 8.57 0.74 0.00 -1.70 3.32 -2.06 -3.46 116.42 121.83 2k5j h ASP 68 Ca -0.27 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2k5j h ASP 68 Cb 1.11 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.47 2k5j h ASP 68 CO 0.83 0.66 0.00 0.61 -1.72 0.00 0.00 179.24 179.62 2k5j n GLY 69 N -0.93 0.70 2.94 2.75 0.00 -1.26 -4.50 105.19 104.88 2k5j n GLY 69 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 2k5j n GLY 69 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k5j n VAL 70 N -2.60 -5.41 -3.98 1.61 0.31 -1.26 -5.00 118.33 102.01 2k5j n VAL 70 Ca 0.00 1.01 -0.25 0.00 -0.01 0.00 0.00 64.34 65.09 2k5j n VAL 70 Cb 0.00 -4.09 -0.17 0.00 -0.91 0.00 0.00 33.84 28.67 2k5j n VAL 70 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2k5j s GLU 71 N -0.51 1.28 -1.29 5.55 2.12 -1.26 -5.04 118.70 119.54 2k5j s GLU 71 Ca -0.08 -0.18 -0.05 0.00 0.36 0.00 0.00 54.97 55.02 2k5j s GLU 71 Cb 0.01 -1.36 0.14 0.00 0.26 0.00 0.00 34.13 33.18 2k5j s GLU 71 CO 0.29 -0.22 2.29 0.66 -0.54 0.00 0.00 175.26 177.74 2k5j n TYR 72 N 4.76 2.63 0.00 5.30 4.01 -1.26 -4.92 117.16 127.69 2k5j n TYR 72 Ca -0.14 -2.80 0.00 0.00 -0.16 0.00 0.00 57.90 54.81 2k5j n TYR 72 Cb 0.50 -1.78 0.00 0.00 -0.31 0.00 0.00 39.34 37.75 2k5j n TYR 72 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2k5j n GLN 73 N 1.72 0.00 -3.69 -0.72 1.13 -1.26 -4.75 117.38 109.81 2k5j n GLN 73 Ca 0.59 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 55.37 2k5j n GLN 73 Cb 0.26 0.00 0.03 0.00 0.11 0.00 0.00 30.24 30.63 2k5j n GLN 73 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2k5j n ARG 74 N 0.00 -1.14 -0.25 -1.09 0.63 -1.26 -4.86 116.66 108.68 2k5j n ARG 74 Ca 0.00 0.60 -0.06 0.00 -0.92 0.00 0.00 57.85 57.46 2k5j n ARG 74 Cb 0.00 -3.67 0.05 0.00 0.45 0.00 0.00 32.46 29.29 2k5j n ARG 74 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2k5j h LYS 75 N -1.35 1.02 0.00 -0.14 1.57 -2.04 -3.46 116.57 112.18 2k5j h LYS 75 Ca -0.58 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.03 2k5j h LYS 75 Cb 1.33 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2k5j h LYS 75 CO 0.44 0.83 0.00 -0.11 -0.57 0.00 0.00 179.45 180.04 2k5j n LEU 76 N -4.40 -0.96 -3.08 2.94 0.00 -1.26 -5.11 117.00 105.13 2k5j n LEU 76 Ca 0.05 0.33 -0.00 0.00 0.00 0.00 0.00 56.01 56.40 2k5j n LEU 76 Cb 0.16 1.13 -0.00 0.00 0.00 0.00 0.00 43.42 44.71 2k5j n LEU 76 CO 0.39 -0.04 -0.44 -1.14 0.00 0.00 0.00 177.39 176.15 2k5j n ARG 77 N -2.55 -1.07 -3.33 1.96 0.00 -1.26 -4.92 116.66 105.48 2k5j n ARG 77 Ca 0.00 1.25 -0.35 0.00 -0.00 0.00 0.00 57.85 58.75 2k5j n ARG 77 Cb 0.00 -1.83 -0.06 0.00 0.00 0.00 0.00 32.46 30.57 2k5j n ARG 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 2k5j s GLU 78 N -0.97 3.99 0.00 -0.14 -1.05 -1.26 -4.93 118.70 114.33 2k5j s GLU 78 Ca -0.01 0.51 0.00 0.00 -0.15 0.00 0.00 54.97 55.32 2k5j s GLU 78 Cb 0.00 -2.88 0.00 0.00 -0.44 0.00 0.00 34.13 30.81 2k5j s GLU 78 CO 0.16 0.44 0.00 -0.85 0.95 0.00 0.00 175.26 175.96 2k5j n GLU 79 N 0.65 1.03 0.00 -4.83 0.00 -1.26 -5.30 120.64 110.93 2k5j n GLU 79 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.23 2k5j n GLU 79 Cb 0.52 -0.35 0.68 0.00 0.00 0.00 0.00 31.44 32.29 2k5j n GLU 79 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.13 179.00