#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 4.99 -0.25 7.83 5.15 -1.26 -4.77 115.26 126.95 2k5j n ASN 2 Ca 0.00 -3.00 -0.06 0.00 -0.60 0.00 0.00 54.58 50.92 2k5j n ASN 2 Cb 0.00 -1.58 0.05 0.00 -0.53 0.00 0.00 39.78 37.73 2k5j n ASN 2 CO 0.00 0.00 0.00 -1.28 1.40 0.00 0.00 177.26 177.38 2k5j h SER 3 N 6.60 0.89 -3.56 1.20 0.87 -2.12 -3.42 113.55 114.01 2k5j h SER 3 Ca 0.39 -0.10 -0.52 0.00 -1.23 0.00 0.00 61.79 60.33 2k5j h SER 3 Cb 0.76 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2k5j h SER 3 CO 1.48 0.73 0.43 -0.76 -0.53 0.00 0.00 176.83 178.18 2k5j s LEU 4 N -9.93 4.50 0.00 2.23 1.02 -1.26 -4.77 118.68 110.47 2k5j s LEU 4 Ca -0.13 1.97 0.00 0.00 0.02 0.00 0.00 54.13 55.99 2k5j s LEU 4 Cb 0.14 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.75 2k5j s LEU 4 CO 0.79 -0.15 0.00 0.00 0.02 0.00 0.00 176.35 177.02 2k5j n ALA 5 N 2.52 0.00 0.00 4.21 0.00 -1.26 -5.13 120.51 120.85 2k5j n ALA 5 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2k5j n ALA 5 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.04 -0.03 3.37 0.00 0.00 -1.26 -5.11 105.19 101.12 2k5j n GLY 6 Ca 0.00 0.69 -0.45 0.00 0.00 0.00 0.00 46.02 46.26 2k5j n GLY 6 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k5j s ILE 7 N 0.00 4.98 -0.69 -0.61 -4.36 -1.26 -4.63 121.20 114.63 2k5j s ILE 7 Ca 0.00 -1.38 -0.09 0.00 -0.26 0.00 0.00 60.65 58.92 2k5j s ILE 7 Cb 0.00 -4.52 0.01 0.00 1.25 0.00 0.00 42.46 39.21 2k5j s ILE 7 CO 0.00 -1.14 0.64 -0.67 0.24 0.00 0.00 174.94 174.01 2k5j n ASP 8 N 5.86 -6.17 -3.47 4.36 2.03 -1.26 -5.01 116.55 112.90 2k5j n ASP 8 Ca -0.01 -0.39 -0.22 0.00 0.52 0.00 0.00 54.79 54.69 2k5j n ASP 8 Cb 0.44 -3.13 -0.07 0.00 -0.72 0.00 0.00 41.12 37.64 2k5j n ASP 8 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2k5j n MET 9 N -1.67 0.51 -3.89 -0.67 2.81 -1.26 -5.17 117.12 107.78 2k5j n MET 9 Ca -0.14 -3.21 -0.12 0.00 -1.81 0.00 0.00 57.70 52.43 2k5j n MET 9 Cb 0.61 2.10 -0.14 0.00 -0.71 0.00 0.00 33.22 35.09 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 -3.29 0.01 0.18 3.03 0.00 -1.26 -5.15 107.32 100.84 2k5j s GLY 10 Ca 0.27 -0.01 -0.11 0.00 0.00 0.00 0.00 44.72 44.87 2k5j s GLY 10 CO 0.19 -0.01 0.52 1.09 0.00 0.00 0.00 173.10 174.89 2k5j s ARG 11 N -0.01 3.85 0.08 2.90 1.04 -1.26 -5.10 118.95 120.46 2k5j s ARG 11 Ca 0.00 0.32 0.03 0.00 -1.04 0.00 0.00 55.73 55.04 2k5j s ARG 11 Cb -0.00 -2.81 -0.03 0.00 -2.04 0.00 0.00 34.95 30.07 2k5j s ARG 11 CO -0.00 0.41 -0.09 0.42 -0.04 0.00 0.00 175.30 176.00 2k5j s ILE 12 N -1.63 0.81 -0.19 4.99 -1.09 -1.26 -5.14 121.20 117.70 2k5j s ILE 12 Ca 0.42 -1.57 -0.01 0.00 -2.23 0.00 0.00 60.65 57.26 2k5j s ILE 12 Cb -0.13 -1.25 0.01 0.00 -1.58 0.00 0.00 42.46 39.50 2k5j s ILE 12 CO 0.20 -0.57 -0.14 -0.22 -1.23 0.00 0.00 174.94 172.98 2k5j s LEU 13 N -2.35 2.45 -0.02 2.97 2.96 -1.26 -5.11 118.68 118.31 2k5j s LEU 13 Ca 0.03 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.46 2k5j s LEU 13 Cb -0.03 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 2k5j s LEU 13 CO -0.01 0.02 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.66 2k5j s LEU 14 N 1.22 1.97 -0.26 -0.68 2.96 -1.26 -5.12 118.68 117.50 2k5j s LEU 14 Ca 0.02 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 53.62 2k5j s LEU 14 Cb -0.14 -0.83 0.03 0.00 0.50 0.00 0.00 46.19 45.75 2k5j s LEU 14 CO -0.07 0.17 -0.05 1.51 -1.32 0.00 0.00 176.35 176.60 2k5j s ASP 15 N -0.19 4.46 -0.05 3.68 3.84 -1.26 -5.10 116.67 122.05 2k5j s ASP 15 Ca 0.02 -0.96 0.04 0.00 -0.00 0.00 0.00 52.55 51.65 2k5j s ASP 15 Cb -0.08 -1.68 -0.02 0.00 -1.38 0.00 0.00 42.92 39.76 2k5j s ASP 15 CO 0.00 -0.16 -0.15 -0.76 -0.00 0.00 0.00 175.17 174.10 2k5j s LEU 16 N 1.31 2.67 0.85 2.11 1.43 -1.26 -5.11 118.68 120.68 2k5j s LEU 16 Ca -0.01 -0.23 -0.13 0.00 -1.03 0.00 0.00 54.13 52.73 2k5j s LEU 16 Cb -0.17 -1.54 0.07 0.00 0.03 0.00 0.00 46.19 44.58 2k5j s LEU 16 CO -0.04 0.33 0.91 -1.20 0.23 0.00 0.00 176.35 176.59 2k5j n SER 17 N 2.38 -0.15 0.24 2.29 7.64 -1.26 -4.80 113.62 119.96 2k5j n SER 17 Ca -0.17 0.49 0.09 0.00 1.01 0.00 0.00 58.87 60.29 2k5j n SER 17 Cb 0.52 -1.39 0.60 0.00 -1.01 0.00 0.00 64.21 62.93 2k5j n SER 17 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k5j h ASN 18 N -1.20 0.00 -0.42 6.43 -0.00 -2.00 -2.41 115.58 115.98 2k5j h ASN 18 Ca -0.45 0.00 -0.12 0.00 -0.00 0.00 0.00 56.30 55.73 2k5j h ASN 18 Cb 1.30 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.60 2k5j h ASN 18 CO 0.42 0.18 -0.19 -0.08 -0.00 0.00 0.00 177.43 177.76 2k5j h GLU 19 N 0.00 0.92 -0.29 4.14 4.81 -2.01 -2.87 114.58 119.28 2k5j h GLU 19 Ca -0.00 -0.37 -0.10 0.00 -0.13 0.00 0.00 59.36 58.76 2k5j h GLU 19 Cb 0.42 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2k5j h GLU 19 CO 0.02 1.02 -0.22 0.28 -0.73 0.00 0.00 179.01 179.39 2k5j h VAL 20 N 0.80 1.30 -0.89 0.32 2.07 -1.79 -2.90 116.25 115.16 2k5j h VAL 20 Ca 0.11 -1.36 0.16 0.00 0.82 0.00 0.00 66.70 66.43 2k5j h VAL 20 Cb 0.74 1.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.98 2k5j h VAL 20 CO 0.06 0.43 0.58 0.40 0.02 0.00 0.00 177.57 179.06 2k5j h ILE 21 N 0.40 0.80 -0.59 4.57 2.04 -1.40 0.21 117.51 123.55 2k5j h ILE 21 Ca 0.05 -0.22 -0.09 0.00 1.00 0.00 0.00 64.86 65.60 2k5j h ILE 21 Cb 0.77 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 2k5j h ILE 21 CO 0.06 0.12 0.01 0.11 0.00 0.00 0.00 178.15 178.45 2k5j h LYS 22 N 0.64 1.03 -0.08 2.37 1.79 -1.34 0.13 116.57 121.10 2k5j h LYS 22 Ca 0.46 -0.32 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 2k5j h LYS 22 Cb 0.80 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.35 2k5j h LYS 22 CO -0.21 1.01 0.03 1.96 -1.08 0.00 0.00 179.45 181.16 2k5j h GLN 23 N 0.92 0.13 -0.70 3.15 4.20 -0.48 -1.79 115.11 120.54 2k5j h GLN 23 Ca 0.17 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 2k5j h GLN 23 Cb 0.54 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 2k5j h GLN 23 CO 0.03 0.27 0.37 -0.07 -0.67 0.00 0.00 178.83 178.76 2k5j h LEU 24 N -0.04 0.89 -0.76 1.46 3.38 -0.92 -2.26 115.31 117.06 2k5j h LEU 24 Ca 0.03 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 57.94 2k5j h LEU 24 Cb 0.19 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 2k5j h LEU 24 CO -0.00 0.75 0.45 -0.78 0.09 0.00 0.00 178.44 178.95 2k5j h ASP 25 N 0.97 0.71 -0.64 -0.43 3.58 -0.79 0.49 116.42 120.30 2k5j h ASP 25 Ca 0.25 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.70 2k5j h ASP 25 Cb 0.07 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 2k5j h ASP 25 CO -0.04 0.46 0.34 -0.78 -2.88 0.00 0.00 179.24 176.35 2k5j h ASP 26 N 0.84 0.81 0.22 2.28 -0.00 -0.88 -1.15 116.42 118.54 2k5j h ASP 26 Ca 0.33 -0.10 -0.13 0.00 -0.00 0.00 0.00 57.03 57.13 2k5j h ASP 26 Cb 0.16 -0.21 -0.01 0.00 -0.00 0.00 0.00 39.33 39.27 2k5j h ASP 26 CO -0.17 0.68 -0.48 -0.07 -0.00 0.00 0.00 179.24 179.20 2k5j h LEU 27 N 0.88 0.33 -0.46 2.28 3.38 -0.75 -2.78 115.31 118.19 2k5j h LEU 27 Ca 0.23 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2k5j h LEU 27 Cb 0.06 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2k5j h LEU 27 CO -0.03 0.77 0.08 -0.33 0.09 0.00 0.00 178.44 179.01 2k5j h GLU 28 N 0.25 0.76 -0.45 1.13 5.08 0.51 0.14 114.58 121.99 2k5j h GLU 28 Ca 0.01 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 2k5j h GLU 28 Cb 0.95 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 2k5j h GLU 28 CO 0.08 0.77 0.17 0.28 -1.00 0.00 0.00 179.01 179.31 2k5j h VAL 29 N 0.63 1.21 -0.51 3.13 2.07 -1.17 1.74 116.25 123.35 2k5j h VAL 29 Ca 0.14 -0.66 -0.12 0.00 0.82 0.00 0.00 66.70 66.88 2k5j h VAL 29 Cb 0.38 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2k5j h VAL 29 CO 0.01 0.24 -0.13 1.56 0.02 0.00 0.00 177.57 179.27 2k5j h GLN 30 N 0.59 0.99 -0.01 1.57 1.08 -1.37 -2.67 115.11 115.28 2k5j h GLN 30 Ca 0.15 -0.38 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 2k5j h GLN 30 Cb 0.21 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2k5j h GLN 30 CO -0.01 1.06 -0.14 0.54 -0.95 0.00 0.00 178.83 179.33 2k5j n ARG 31 N -4.17 1.01 -4.35 1.46 5.12 0.48 -4.92 116.66 111.29 2k5j n ARG 31 Ca 0.01 -0.52 -0.38 0.00 -1.93 0.00 0.00 57.85 55.03 2k5j n ARG 31 Cb 0.41 -1.49 -0.05 0.00 -1.16 0.00 0.00 32.46 30.17 2k5j n ARG 31 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2k5j n ASN 32 N -0.54 -2.23 -4.09 0.55 6.94 0.59 -4.92 115.26 111.56 2k5j n ASN 32 Ca 0.15 -1.13 -0.14 0.00 -0.02 0.00 0.00 54.58 53.44 2k5j n ASN 32 Cb 0.32 -2.22 -0.11 0.00 -2.36 0.00 0.00 39.78 35.41 2k5j n ASN 32 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2k5j s LEU 33 N -7.25 2.27 0.63 -4.53 1.43 -0.79 -5.02 118.68 105.41 2k5j s LEU 33 Ca 0.69 -0.59 -0.17 0.00 -1.03 0.00 0.00 54.13 53.03 2k5j s LEU 33 Cb -0.39 -0.22 -0.02 0.00 0.03 0.00 0.00 46.19 45.60 2k5j s LEU 33 CO 0.97 -0.20 1.15 -2.16 0.23 0.00 0.00 176.35 176.35 2k5j s PRO 34 N -1.73 2.87 0.22 1.29 0.04 -1.26 -4.59 135.00 131.83 2k5j s PRO 34 Ca -0.07 1.61 -0.08 0.00 0.04 0.00 0.00 61.00 62.49 2k5j s PRO 34 Cb -0.09 -1.94 0.17 0.00 0.04 0.00 0.00 34.50 32.68 2k5j s PRO 34 CO 0.00 -1.24 1.81 0.07 0.04 0.00 0.00 177.00 177.69 2k5j h ARG 35 N 0.46 1.20 -0.67 4.56 0.11 -1.97 -2.63 114.38 115.44 2k5j h ARG 35 Ca -0.49 -0.18 0.14 0.00 0.10 0.00 0.00 59.98 59.55 2k5j h ARG 35 Cb 1.27 -0.21 -0.10 0.00 1.11 0.00 0.00 29.97 32.03 2k5j h ARG 35 CO 0.54 0.92 0.12 0.00 0.10 0.00 0.00 179.97 181.66 2k5j h ALA 36 N 1.21 0.80 -0.54 0.08 0.00 -1.99 0.75 119.26 119.57 2k5j h ALA 36 Ca 0.28 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.29 2k5j h ALA 36 Cb 0.13 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2k5j h ALA 36 CO -0.03 -0.34 0.09 -0.44 0.00 0.00 0.00 179.25 178.52 2k5j h ASP 37 N 0.23 0.85 -0.60 0.00 5.19 -1.86 -1.86 116.42 118.36 2k5j h ASP 37 Ca 0.37 -0.26 -0.06 0.00 -0.62 0.00 0.00 57.03 56.45 2k5j h ASP 37 Cb 0.60 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 2k5j h ASP 37 CO -0.49 0.89 0.13 -0.07 -3.12 0.00 0.00 179.24 176.58 2k5j h LEU 38 N 0.78 0.93 -0.68 1.55 3.38 -0.63 -2.42 115.31 118.22 2k5j h LEU 38 Ca 0.16 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2k5j h LEU 38 Cb 0.40 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2k5j h LEU 38 CO 0.01 0.93 0.31 -0.07 0.09 0.00 0.00 178.44 179.72 2k5j h LEU 39 N 0.88 0.90 -0.63 1.67 3.38 0.57 0.85 115.31 122.94 2k5j h LEU 39 Ca 0.19 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2k5j h LEU 39 Cb 0.38 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2k5j h LEU 39 CO 0.01 0.79 0.39 -0.09 0.09 0.00 0.00 178.44 179.63 2k5j h ARG 40 N 0.95 0.84 -0.26 1.13 2.43 -1.14 -0.30 114.38 118.03 2k5j h ARG 40 Ca 0.23 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 2k5j h ARG 40 Cb 0.14 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2k5j h ARG 40 CO -0.03 0.59 -0.12 0.93 -1.51 0.00 0.00 179.97 179.83 2k5j h GLU 41 N 0.85 0.55 -0.92 0.20 5.08 -1.09 0.13 114.58 119.39 2k5j h GLU 41 Ca 0.23 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2k5j h GLU 41 Cb -0.05 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 2k5j h GLU 41 CO -0.05 0.80 0.60 0.00 -1.00 0.00 0.00 179.01 179.37 2k5j h ALA 42 N 0.74 1.42 0.08 3.43 0.00 -0.55 0.49 119.26 124.87 2k5j h ALA 42 Ca 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2k5j h ALA 42 Cb 0.63 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2k5j h ALA 42 CO 0.04 0.49 -0.04 0.28 0.00 0.00 0.00 179.25 180.02 2k5j h VAL 43 N 1.15 1.03 -0.60 0.00 2.07 -0.95 -2.99 116.25 115.96 2k5j h VAL 43 Ca 0.36 -1.46 0.05 0.00 0.82 0.00 0.00 66.70 66.48 2k5j h VAL 43 Cb 0.02 1.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 2k5j h VAL 43 CO -0.11 0.30 0.32 -0.78 0.02 0.00 0.00 177.57 177.32 2k5j h ASP 44 N -0.89 0.46 -0.61 0.57 -0.00 -0.60 -0.24 116.42 115.11 2k5j h ASP 44 Ca -0.01 0.03 0.08 0.00 -0.00 0.00 0.00 57.03 57.13 2k5j h ASP 44 Cb 0.58 -0.06 -0.07 0.00 -0.00 0.00 0.00 39.33 39.79 2k5j h ASP 44 CO 0.02 0.31 0.26 1.56 -0.00 0.00 0.00 179.24 181.39 2k5j h GLN 45 N 0.60 0.46 -0.34 0.28 1.08 -0.12 0.35 115.11 117.42 2k5j h GLN 45 Ca 0.27 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.41 2k5j h GLN 45 Cb 0.17 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 2k5j h GLN 45 CO -0.18 0.30 0.07 -0.92 -0.95 0.00 0.00 178.83 177.16 2k5j h TYR 46 N 0.47 0.58 -0.43 2.96 3.20 -1.18 -2.72 116.97 119.84 2k5j h TYR 46 Ca 0.30 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 2k5j h TYR 46 Cb 0.32 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 2k5j h TYR 46 CO -0.14 0.60 0.20 -0.07 -1.64 0.00 0.00 178.16 177.11 2k5j h LEU 47 N 0.39 0.58 -1.08 2.82 3.38 -0.27 1.02 115.31 122.15 2k5j h LEU 47 Ca 0.11 -0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.07 2k5j h LEU 47 Cb 0.32 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.84 2k5j h LEU 47 CO 0.00 0.56 0.62 0.40 0.09 0.00 0.00 178.44 180.11 2k5j h ILE 48 N 0.56 0.89 0.00 1.22 2.04 -0.26 2.80 117.51 124.76 2k5j h ILE 48 Ca 0.15 -0.31 -0.25 0.00 1.00 0.00 0.00 64.86 65.45 2k5j h ILE 48 Cb 0.14 -0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.08 2k5j h ILE 48 CO -0.02 0.17 -1.34 -1.13 0.00 0.00 0.00 178.15 175.83 2k5j h ASN 49 N 0.91 0.00 0.00 1.72 -0.73 -1.13 -3.42 115.58 112.93 2k5j h ASN 49 Ca 0.49 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.66 2k5j h ASN 49 Cb 0.56 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.15 2k5j h ASN 49 CO -0.25 0.97 0.00 1.67 -0.37 0.00 0.00 177.43 179.45 2k5j n GLN 50 N -3.19 0.00 0.00 6.67 -0.06 0.35 -4.80 117.38 116.35 2k5j n GLN 50 Ca -0.08 0.06 0.00 0.00 -2.00 0.00 0.00 57.00 54.98 2k5j n GLN 50 Cb 0.99 -0.47 0.00 0.00 -4.06 0.00 0.00 30.24 26.70 2k5j n GLN 50 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 2k5j n SER 51 N -2.16 0.00 -4.45 1.69 3.41 0.92 -4.36 113.62 108.67 2k5j n SER 51 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 2k5j n SER 51 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 2k5j n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k5j n GLN 52 N 0.00 0.53 -4.58 4.33 6.02 -1.26 -4.98 117.38 117.43 2k5j n GLN 52 Ca 0.00 0.20 -0.27 0.00 -0.01 0.00 0.00 57.00 56.92 2k5j n GLN 52 Cb 0.00 -1.54 -0.17 0.00 1.02 0.00 0.00 30.24 29.55 2k5j n GLN 52 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2k5j s THR 53 N -1.59 1.33 -0.07 5.09 2.01 -1.26 -4.97 115.64 116.18 2k5j s THR 53 Ca 0.64 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 62.10 2k5j s THR 53 Cb -0.54 -1.21 0.09 0.00 0.01 0.00 0.00 72.50 70.84 2k5j s THR 53 CO 0.58 0.40 0.75 0.00 -0.69 0.00 0.00 174.62 175.66 2k5j n ALA 54 N 3.96 1.07 -2.86 7.40 0.00 -1.26 -5.10 120.51 123.72 2k5j n ALA 54 Ca -0.21 -0.44 -0.44 0.00 0.00 0.00 0.00 53.44 52.36 2k5j n ALA 54 Cb 0.52 -0.45 -0.05 0.00 0.00 0.00 0.00 19.45 19.47 2k5j n ALA 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k5j s ARG 55 N 0.03 3.13 0.07 0.00 0.52 -1.26 -4.86 118.95 116.58 2k5j s ARG 55 Ca 0.02 -0.90 0.25 0.00 -0.52 0.00 0.00 55.73 54.57 2k5j s ARG 55 Cb 0.10 -4.16 0.47 0.00 0.52 0.00 0.00 34.95 31.87 2k5j s ARG 55 CO -0.03 -1.47 1.40 2.41 0.02 0.00 0.00 175.30 177.63 2k5j n THR 56 N 5.74 0.21 -1.45 0.02 -1.04 -1.26 -5.06 114.28 111.45 2k5j n THR 56 Ca -0.06 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 2k5j n THR 56 Cb 0.45 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 2k5j n THR 56 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2k5j n SER 57 N -1.86 -7.94 -3.15 8.00 2.88 -1.26 -4.96 113.62 105.34 2k5j n SER 57 Ca 0.04 1.13 -0.18 0.00 -1.33 0.00 0.00 58.87 58.54 2k5j n SER 57 Cb 0.40 -4.25 -0.02 0.00 -0.75 0.00 0.00 64.21 59.58 2k5j n SER 57 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2k5j n VAL 58 N -0.80 -0.19 -1.72 2.46 0.24 -1.26 -5.13 118.33 111.93 2k5j n VAL 58 Ca 0.00 -4.26 -0.33 0.00 -2.04 0.00 0.00 64.34 57.71 2k5j n VAL 58 Cb 0.00 -0.22 0.05 0.00 -1.47 0.00 0.00 33.84 32.20 2k5j n VAL 58 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2k5j s PRO 59 N -2.08 2.72 0.00 7.34 0.04 -1.26 -4.73 135.00 137.02 2k5j s PRO 59 Ca 0.38 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2k5j s PRO 59 Cb 0.33 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.94 2k5j s PRO 59 CO -0.08 -1.33 0.00 0.41 0.04 0.00 0.00 177.00 176.04 2k5j n GLY 60 N -0.36 -1.98 3.85 0.56 0.00 -1.26 -5.06 105.19 100.94 2k5j n GLY 60 Ca 0.11 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 2k5j n GLY 60 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k5j s ILE 61 N 0.00 5.01 0.34 -0.61 -4.36 -1.26 -4.98 121.20 115.33 2k5j s ILE 61 Ca 0.00 0.70 0.02 0.00 -0.26 0.00 0.00 60.65 61.11 2k5j s ILE 61 Cb 0.00 -3.70 0.27 0.00 1.25 0.00 0.00 42.46 40.28 2k5j s ILE 61 CO 0.00 0.40 1.99 4.11 0.24 0.00 0.00 174.94 181.67 2k5j h TRP 62 N 4.08 0.87 -2.96 1.37 5.08 -1.99 -3.41 115.95 118.99 2k5j h TRP 62 Ca -0.50 0.02 -0.53 0.00 1.08 0.00 0.00 58.89 58.96 2k5j h TRP 62 Cb 1.20 -0.29 0.03 0.00 -3.00 0.00 0.00 29.16 27.10 2k5j h TRP 62 CO 0.68 0.53 0.76 -1.14 -1.28 0.00 0.00 178.44 177.99 2k5j s GLN 63 N -5.78 4.29 -0.21 0.12 0.74 -1.26 -5.00 119.66 112.56 2k5j s GLN 63 Ca -0.10 2.15 -0.12 0.00 0.05 0.00 0.00 55.36 57.34 2k5j s GLN 63 Cb 0.18 -3.22 0.07 0.00 1.10 0.00 0.00 33.01 31.14 2k5j s GLN 63 CO 0.77 -0.48 0.52 0.20 -0.55 0.00 0.00 175.29 175.75 2k5j s GLY 64 N 1.10 -0.45 0.12 2.59 0.00 -1.26 -5.15 107.32 104.27 2k5j s GLY 64 Ca 0.66 1.87 0.08 0.00 0.00 0.00 0.00 44.72 47.33 2k5j s GLY 64 CO 0.31 2.00 -0.20 0.00 0.00 0.00 0.00 173.10 175.21 2k5j n GLU 66 N 0.81 0.82 -0.27 0.00 0.28 -1.26 -5.01 120.64 116.02 2k5j n GLU 66 Ca -0.17 -2.75 -0.00 0.00 -0.16 0.00 0.00 57.16 54.07 2k5j n GLU 66 Cb 0.55 2.80 -0.00 0.00 1.43 0.00 0.00 31.44 36.21 2k5j n GLU 66 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2k5j n GLU 67 N -0.59 0.55 -0.54 3.44 0.28 -1.26 -4.87 120.64 117.66 2k5j n GLU 67 Ca -0.01 -0.01 -0.29 0.00 -0.16 0.00 0.00 57.16 56.68 2k5j n GLU 67 Cb 0.61 -1.25 0.23 0.00 1.43 0.00 0.00 31.44 32.46 2k5j n GLU 67 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2k5j n ASP 68 N 1.76 -1.69 -1.08 -1.84 5.68 -1.26 -4.79 116.55 113.33 2k5j n ASP 68 Ca 0.01 -0.09 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 2k5j n ASP 68 Cb 0.27 -1.22 0.00 0.00 -1.14 0.00 0.00 41.12 39.03 2k5j n ASP 68 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k5j n GLY 69 N 1.15 -2.53 2.93 6.12 0.00 -1.26 -5.11 105.19 106.49 2k5j n GLY 69 Ca 0.03 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 0.19 -0.50 1.61 0.11 -1.26 -5.10 120.40 115.45 2k5j s VAL 70 Ca 0.00 -0.30 0.06 0.00 -2.93 0.00 0.00 61.98 58.81 2k5j s VAL 70 Cb 0.00 -0.20 0.19 0.00 -1.53 0.00 0.00 36.38 34.84 2k5j s VAL 70 CO 0.00 -0.08 0.67 -1.84 -3.33 0.00 0.00 175.10 170.52 2k5j n GLU 71 N 2.67 0.49 -2.16 1.54 0.28 -1.26 -5.13 120.64 117.08 2k5j n GLU 71 Ca -0.15 -2.24 -0.42 0.00 -0.16 0.00 0.00 57.16 54.19 2k5j n GLU 71 Cb 0.58 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.92 2k5j n GLU 71 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 2k5j s TYR 72 N 0.69 3.11 -0.33 -1.84 5.04 -1.26 -4.96 117.35 117.80 2k5j s TYR 72 Ca 0.31 0.88 -0.29 0.00 -2.44 0.00 0.00 57.07 55.52 2k5j s TYR 72 Cb 0.02 -3.70 0.01 0.00 0.35 0.00 0.00 41.96 38.65 2k5j s TYR 72 CO -0.09 -2.52 1.13 -1.14 -1.34 0.00 0.00 175.55 171.59 2k5j s GLN 73 N 1.46 4.00 0.04 4.97 2.00 -1.26 -5.00 119.66 125.87 2k5j s GLN 73 Ca 0.65 1.06 -0.30 0.00 -2.00 0.00 0.00 55.36 54.77 2k5j s GLN 73 Cb -0.36 -3.78 -0.04 0.00 0.80 0.00 0.00 33.01 29.63 2k5j s GLN 73 CO 0.30 -0.99 1.00 0.50 -0.50 0.00 0.00 175.29 175.59 2k5j s ARG 74 N 3.84 4.58 -0.01 1.67 3.52 -1.26 -5.04 118.95 126.24 2k5j s ARG 74 Ca 0.48 1.47 0.00 0.00 -0.13 0.00 0.00 55.73 57.55 2k5j s ARG 74 Cb -0.13 -3.43 0.01 0.00 -1.56 0.00 0.00 34.95 29.85 2k5j s ARG 74 CO 0.19 -0.01 0.01 0.21 -0.81 0.00 0.00 175.30 174.89 2k5j s LYS 75 N 0.75 0.05 -0.71 5.12 2.20 -1.26 -5.04 119.74 120.86 2k5j s LYS 75 Ca 0.51 0.06 -0.06 0.00 -0.36 0.00 0.00 55.97 56.13 2k5j s LYS 75 Cb -0.23 -0.17 -0.10 0.00 -1.51 0.00 0.00 37.83 35.83 2k5j s LYS 75 CO 0.29 -0.07 2.35 1.28 -0.36 0.00 0.00 175.35 178.84 2k5j n LEU 76 N 3.57 4.91 -0.25 5.43 4.32 -1.26 -4.51 117.00 129.21 2k5j n LEU 76 Ca -0.19 -2.86 -0.05 0.00 -0.02 0.00 0.00 56.01 52.88 2k5j n LEU 76 Cb 0.55 -1.10 0.05 0.00 -1.62 0.00 0.00 43.42 41.31 2k5j n LEU 76 CO 0.24 0.90 1.13 -0.09 -1.22 0.00 0.00 177.39 178.35 2k5j h ARG 77 N 5.42 0.95 -4.81 3.23 2.43 -2.01 -3.48 114.38 116.11 2k5j h ARG 77 Ca 0.42 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 2k5j h ARG 77 Cb 0.44 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 2k5j h ARG 77 CO 1.12 0.68 -1.03 -1.91 -1.51 0.00 0.00 179.97 177.33 2k5j n GLU 78 N -4.54 -4.41 -0.16 0.20 2.13 -1.26 -4.87 120.64 107.73 2k5j n GLU 78 Ca 0.06 3.24 -0.10 0.00 0.66 0.00 0.00 57.16 61.02 2k5j n GLU 78 Cb 0.06 -4.27 0.00 0.00 0.27 0.00 0.00 31.44 27.50 2k5j n GLU 78 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2k5j h GLU 79 N 4.28 0.80 -0.02 5.31 5.08 -1.99 -3.56 114.58 124.49 2k5j h GLU 79 Ca -0.16 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2k5j h GLU 79 Cb 0.37 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2k5j h GLU 79 CO 0.00 0.83 0.00 1.87 -1.00 0.00 0.00 179.01 180.71