#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5r s ASP 2 N 0.00 5.64 -0.15 6.12 1.01 -1.26 -4.79 116.67 123.23 2k5r s ASP 2 Ca 0.00 -0.80 -0.10 0.00 0.71 0.00 0.00 52.55 52.36 2k5r s ASP 2 Cb 0.00 -2.01 -0.06 0.00 1.01 0.00 0.00 42.92 41.86 2k5r s ASP 2 CO 0.00 -0.30 -0.23 0.54 0.21 0.00 0.00 175.17 175.39 2k5r n ARG 3 N 4.98 0.37 -0.19 8.23 5.12 -1.26 -4.66 116.66 129.26 2k5r n ARG 3 Ca -0.13 0.16 0.13 0.00 -1.93 0.00 0.00 57.85 56.08 2k5r n ARG 3 Cb 0.47 -1.13 0.45 0.00 -1.16 0.00 0.00 32.46 31.09 2k5r n ARG 3 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 2k5r h LYS 4 N -0.65 0.52 0.00 5.56 1.79 -2.01 -1.39 116.57 120.40 2k5r h LYS 4 Ca -0.30 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 2k5r h LYS 4 Cb 1.14 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 2k5r h LYS 4 CO -0.18 0.35 0.00 -0.07 -1.08 0.00 0.00 179.45 178.46 2k5r h LEU 5 N 0.54 0.00 0.00 2.94 -0.00 -1.93 0.17 115.31 117.02 2k5r h LEU 5 Ca 0.38 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 58.11 2k5r h LEU 5 Cb 0.72 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.36 2k5r h LEU 5 CO -0.14 0.00 -0.79 -0.07 -0.00 0.00 0.00 178.44 177.44 2k5r h LEU 6 N 0.00 0.00 -0.50 1.67 3.38 -1.53 -3.30 115.31 115.03 2k5r h LEU 6 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2k5r h LEU 6 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2k5r h LEU 6 CO 0.00 0.67 -0.36 -0.74 0.09 0.00 0.00 178.44 178.10 2k5r h HIS 7 N 0.00 0.00 -3.35 1.13 2.76 -0.78 -3.44 115.15 111.47 2k5r h HIS 7 Ca -0.03 0.00 -0.56 0.00 -2.20 0.00 0.00 60.37 57.57 2k5r h HIS 7 Cb 1.54 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.45 2k5r h HIS 7 CO 0.00 0.36 0.04 -0.51 -1.30 0.00 0.00 177.93 176.52 2k5r s LEU 8 N -6.63 4.37 -0.42 0.26 2.01 -1.18 -5.01 118.68 112.08 2k5r s LEU 8 Ca 0.03 1.19 -0.28 0.00 0.01 0.00 0.00 54.13 55.08 2k5r s LEU 8 Cb 0.09 -3.01 -0.02 0.00 0.01 0.00 0.00 46.19 43.26 2k5r s LEU 8 CO 0.70 -0.00 1.78 -0.22 1.01 0.00 0.00 176.35 179.62 2k5r s LEU 9 N 0.26 3.45 0.79 1.79 0.20 -1.26 -4.98 118.68 118.94 2k5r s LEU 9 Ca 0.34 0.98 -0.12 0.00 0.69 0.00 0.00 54.13 56.03 2k5r s LEU 9 Cb -0.18 -3.23 0.07 0.00 -0.43 0.00 0.00 46.19 42.42 2k5r s LEU 9 CO 0.18 -1.88 1.17 0.00 -0.29 0.00 0.00 176.35 175.52 2k5r s SER 11 N -4.53 7.03 -1.05 0.00 0.15 -1.26 -5.01 113.70 109.03 2k5r s SER 11 Ca 0.61 1.25 -0.21 0.00 0.70 0.00 0.00 55.95 58.30 2k5r s SER 11 Cb -0.11 -2.45 0.07 0.00 -1.71 0.00 0.00 66.02 61.82 2k5r s SER 11 CO 0.50 -0.26 1.44 -2.16 1.20 0.00 0.00 173.24 173.95 2k5r s PRO 12 N 1.44 3.66 0.30 5.44 0.04 -1.26 -4.88 135.00 139.74 2k5r s PRO 12 Ca 0.40 -1.38 0.24 0.00 0.04 0.00 0.00 61.00 60.30 2k5r s PRO 12 Cb -0.18 -5.30 1.06 0.00 0.04 0.00 0.00 34.50 30.12 2k5r s PRO 12 CO 0.17 -2.13 1.73 -0.44 0.04 0.00 0.00 177.00 176.37 2k5r h ASP 13 N 9.27 0.00 0.77 6.66 3.32 -1.95 -0.72 116.42 133.77 2k5r h ASP 13 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2k5r h ASP 13 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.54 2k5r h ASP 13 CO 1.38 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 179.25 2k5r n THR 14 N -2.32 0.81 1.05 0.35 -2.24 -1.26 -2.06 114.28 108.61 2k5r n THR 14 Ca 0.01 0.18 0.11 0.00 -2.27 0.00 0.00 64.05 62.09 2k5r n THR 14 Cb 0.21 -1.08 0.11 0.00 -2.10 0.00 0.00 70.33 67.47 2k5r n THR 14 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2k5r n ARG 15 N -2.14 0.37 -3.69 -0.78 0.63 -0.28 -4.96 116.66 105.82 2k5r n ARG 15 Ca 0.03 -0.27 -0.22 0.00 -0.92 0.00 0.00 57.85 56.47 2k5r n ARG 15 Cb 0.24 -1.49 -0.02 0.00 0.45 0.00 0.00 32.46 31.64 2k5r n ARG 15 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2k5r s GLN 16 N -2.81 3.43 0.34 -0.14 1.11 -0.87 -5.09 119.66 115.63 2k5r s GLN 16 Ca 0.14 -0.60 -0.28 0.00 0.01 0.00 0.00 55.36 54.63 2k5r s GLN 16 Cb 0.17 -2.79 -0.09 0.00 -1.01 0.00 0.00 33.01 29.29 2k5r s GLN 16 CO 0.70 0.29 1.20 -2.14 0.01 0.00 0.00 175.29 175.34 2k5r s PRO 17 N -4.13 4.33 0.30 2.91 0.02 -1.26 -5.02 135.00 132.14 2k5r s PRO 17 Ca 0.37 1.97 -0.12 0.00 0.02 0.00 0.00 61.00 63.24 2k5r s PRO 17 Cb -0.09 -2.97 -0.08 0.00 0.02 0.00 0.00 34.50 31.38 2k5r s PRO 17 CO 0.32 -0.12 0.67 -0.51 -0.33 0.00 0.00 177.00 177.03 2k5r s LEU 18 N -1.94 4.07 0.51 -5.54 1.43 -1.26 -4.64 118.68 111.30 2k5r s LEU 18 Ca 0.50 1.12 0.06 0.00 -1.03 0.00 0.00 54.13 54.78 2k5r s LEU 18 Cb -0.34 -3.92 0.02 0.00 0.03 0.00 0.00 46.19 41.97 2k5r s LEU 18 CO 0.45 -0.19 0.37 -0.55 0.23 0.00 0.00 176.35 176.66 2k5r s SER 19 N -2.45 4.65 0.11 2.29 0.15 -0.33 -4.90 113.70 113.22 2k5r s SER 19 Ca 0.51 -1.17 -0.27 0.00 0.70 0.00 0.00 55.95 55.72 2k5r s SER 19 Cb -0.11 0.19 -0.06 0.00 -1.71 0.00 0.00 66.02 64.33 2k5r s SER 19 CO 0.21 -0.98 0.84 -0.22 1.20 0.00 0.00 173.24 174.29 2k5r s LEU 20 N -4.21 4.52 0.21 3.45 1.98 -1.26 -0.16 118.68 123.20 2k5r s LEU 20 Ca 0.36 1.64 -0.30 0.00 -2.89 0.00 0.00 54.13 52.94 2k5r s LEU 20 Cb -0.02 -3.39 -0.09 0.00 0.66 0.00 0.00 46.19 43.35 2k5r s LEU 20 CO 0.22 0.05 1.38 -0.22 -1.89 0.00 0.00 176.35 175.89 2k5r s LEU 21 N -0.40 4.40 0.37 -0.68 2.96 -0.70 -4.69 118.68 119.93 2k5r s LEU 21 Ca 0.41 2.50 -0.26 0.00 -0.22 0.00 0.00 54.13 56.56 2k5r s LEU 21 Cb -0.22 -3.61 -0.12 0.00 0.50 0.00 0.00 46.19 42.73 2k5r s LEU 21 CO 0.27 -0.62 0.99 1.21 -1.32 0.00 0.00 176.35 176.88 2k5r n GLU 22 N 2.73 1.35 -0.20 1.98 4.07 -1.26 -4.72 120.64 124.58 2k5r n GLU 22 Ca 0.07 0.48 -0.03 0.00 -0.06 0.00 0.00 57.16 57.62 2k5r n GLU 22 Cb 0.42 -1.95 0.08 0.00 -0.06 0.00 0.00 31.44 29.93 2k5r n GLU 22 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2k5r h SER 23 N 1.72 0.45 -0.38 4.31 4.64 -1.99 0.27 113.55 122.57 2k5r h SER 23 Ca -0.42 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 60.90 2k5r h SER 23 Cb 1.34 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 2k5r h SER 23 CO 0.58 0.30 0.17 0.50 -0.87 0.00 0.00 176.83 177.50 2k5r h LYS 24 N 0.58 0.61 -0.14 4.77 1.63 -2.00 -1.69 116.57 120.34 2k5r h LYS 24 Ca 0.26 -0.08 -0.05 0.00 -0.85 0.00 0.00 60.65 59.94 2k5r h LYS 24 Cb 0.17 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.69 2k5r h LYS 24 CO -0.18 0.51 -0.10 0.78 -3.45 0.00 0.00 179.45 177.02 2k5r h GLY 25 N 0.77 0.33 0.34 5.01 0.00 -1.58 -2.83 103.07 105.11 2k5r h GLY 25 Ca 0.15 -0.32 0.08 0.00 0.00 0.00 0.00 47.33 47.24 2k5r h GLY 25 CO -0.01 0.29 0.01 -2.00 0.00 0.00 0.00 176.54 174.83 2k5r h LEU 26 N -0.06 -0.15 -1.30 3.11 5.85 -0.03 0.15 115.31 122.90 2k5r h LEU 26 Ca 0.03 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 2k5r h LEU 26 Cb 0.59 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 2k5r h LEU 26 CO 0.03 -0.04 0.03 1.05 -0.34 0.00 0.00 178.44 179.17 2k5r h GLU 27 N 0.12 0.50 -0.52 1.25 4.11 -1.42 -2.29 114.58 116.34 2k5r h GLU 27 Ca 0.21 -0.10 -0.09 0.00 0.07 0.00 0.00 59.36 59.45 2k5r h GLU 27 Cb 0.29 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2k5r h GLU 27 CO -0.34 0.51 -0.05 0.00 0.07 0.00 0.00 179.01 179.21 2k5r h ALA 28 N 1.55 0.93 0.28 1.06 0.00 -0.55 0.42 119.26 122.95 2k5r h ALA 28 Ca 0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2k5r h ALA 28 Cb 0.28 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2k5r h ALA 28 CO 0.01 0.63 -0.13 -0.07 0.00 0.00 0.00 179.25 179.68 2k5r h LEU 29 N 0.84 -0.32 -1.02 0.00 -0.00 -0.62 -1.38 115.31 112.82 2k5r h LEU 29 Ca 0.15 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.99 2k5r h LEU 29 Cb 0.56 0.08 -0.04 0.00 -0.00 0.00 0.00 40.66 41.26 2k5r h LEU 29 CO 0.03 -0.17 0.54 0.78 -0.00 0.00 0.00 178.44 179.62 2k5r h ASN 30 N -0.44 1.07 -0.28 -0.43 2.35 -1.23 0.28 115.58 116.91 2k5r h ASN 30 Ca -0.04 -0.06 0.04 0.00 -0.55 0.00 0.00 56.30 55.69 2k5r h ASN 30 Cb 0.33 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.39 2k5r h ASN 30 CO 0.06 0.82 0.04 0.11 -1.65 0.00 0.00 177.43 176.82 2k5r h LYS 31 N 1.23 0.14 -0.08 0.81 1.57 -0.86 -0.24 116.57 119.13 2k5r h LYS 31 Ca 0.32 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.03 2k5r h LYS 31 Cb -0.05 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2k5r h LYS 31 CO -0.06 0.09 -0.23 0.00 -0.57 0.00 0.00 179.45 178.68 2k5r h ALA 32 N 1.22 1.46 -0.06 3.86 0.00 -0.31 -0.62 119.26 124.82 2k5r h ALA 32 Ca 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2k5r h ALA 32 Cb 0.15 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2k5r h ALA 32 CO -0.19 0.39 0.01 0.82 0.00 0.00 0.00 179.25 180.28 2k5r h ILE 33 N 0.13 1.23 -0.67 0.00 2.04 0.14 0.18 117.51 120.56 2k5r h ILE 33 Ca 0.02 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.20 2k5r h ILE 33 Cb 0.49 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 2k5r h ILE 33 CO 0.03 0.19 0.44 0.58 0.00 0.00 0.00 178.15 179.40 2k5r h VAL 34 N -0.17 1.16 0.00 1.67 2.07 -0.83 -0.02 116.25 120.13 2k5r h VAL 34 Ca 0.02 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 2k5r h VAL 34 Cb 0.30 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2k5r h VAL 34 CO 0.00 0.16 -0.09 -1.28 0.02 0.00 0.00 177.57 176.38 2k5r h SER 35 N 0.89 0.00 -0.19 0.57 0.87 -0.90 -3.47 113.55 111.31 2k5r h SER 35 Ca 0.25 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.74 2k5r h SER 35 Cb -0.08 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 2k5r h SER 35 CO -0.06 0.09 -0.06 0.61 -0.53 0.00 0.00 176.83 176.88 2k5r n GLY 36 N 0.16 0.58 0.51 5.77 0.00 0.53 -4.92 105.19 107.82 2k5r n GLY 36 Ca 0.01 -0.91 0.12 0.00 0.00 0.00 0.00 46.02 45.24 2k5r n GLY 36 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k5r n THR 37 N -3.03 0.00 -2.58 2.61 5.66 -0.51 -4.80 114.28 111.63 2k5r n THR 37 Ca -0.03 -0.27 -0.41 0.00 -3.05 0.00 0.00 64.05 60.29 2k5r n THR 37 Cb 0.15 0.98 -0.03 0.00 -1.55 0.00 0.00 70.33 69.88 2k5r n THR 37 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2k5r s VAL 38 N -2.34 3.83 -0.17 1.08 1.01 -1.23 -4.85 120.40 117.73 2k5r s VAL 38 Ca 0.24 0.03 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 2k5r s VAL 38 Cb 0.19 -4.94 -0.04 0.00 0.00 0.00 0.00 36.38 31.59 2k5r s VAL 38 CO 0.48 -1.85 0.40 -1.10 0.00 0.00 0.00 175.10 173.03 2k5r s GLN 39 N 5.38 4.25 0.74 2.72 -0.21 -1.26 -0.83 119.66 130.45 2k5r s GLN 39 Ca 0.37 0.25 -0.13 0.00 0.02 0.00 0.00 55.36 55.87 2k5r s GLN 39 Cb -0.07 -3.48 0.04 0.00 1.00 0.00 0.00 33.01 30.51 2k5r s GLN 39 CO 0.08 0.09 1.12 1.03 -2.12 0.00 0.00 175.29 175.49 2k5r s ARG 40 N 0.89 2.31 0.63 2.91 0.52 0.32 -4.68 118.95 121.84 2k5r s ARG 40 Ca 0.21 1.35 0.33 0.00 -0.52 0.00 0.00 55.73 57.10 2k5r s ARG 40 Cb -0.14 -1.89 1.88 0.00 0.52 0.00 0.00 34.95 35.31 2k5r s ARG 40 CO 0.07 -1.63 2.15 0.00 0.02 0.00 0.00 175.30 175.91 2k5r h ALA 41 N -0.70 1.47 0.00 2.13 0.00 -1.70 0.19 119.26 120.64 2k5r h ALA 41 Ca -0.45 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 2k5r h ALA 41 Cb 1.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2k5r h ALA 41 CO 0.51 -0.20 -0.36 0.22 0.00 0.00 0.00 179.25 179.41 2k5r h ASP 42 N 0.00 0.00 0.00 0.00 3.58 -1.82 -3.47 116.42 114.71 2k5r h ASP 42 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2k5r h ASP 42 Cb 0.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.41 2k5r h ASP 42 CO -0.00 0.36 0.00 0.61 -2.88 0.00 0.00 179.24 177.33 2k5r n GLY 43 N -0.22 2.31 3.83 -0.78 0.00 0.67 -5.10 105.19 105.89 2k5r n GLY 43 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2k5r n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k5r s SER 44 N -1.11 5.94 0.13 1.61 0.01 -1.26 -4.67 113.70 114.36 2k5r s SER 44 Ca 0.00 1.65 -0.26 0.00 1.31 0.00 0.00 55.95 58.65 2k5r s SER 44 Cb 0.00 -2.51 -0.07 0.00 0.21 0.00 0.00 66.02 63.65 2k5r s SER 44 CO 0.00 -1.06 0.81 -0.63 0.41 0.00 0.00 173.24 172.78 2k5r s ILE 45 N -2.74 4.47 -0.61 1.44 -1.09 -1.26 -0.52 121.20 120.89 2k5r s ILE 45 Ca 0.60 1.77 -0.27 0.00 -2.23 0.00 0.00 60.65 60.51 2k5r s ILE 45 Cb -0.13 -4.17 0.01 0.00 -1.58 0.00 0.00 42.46 36.58 2k5r s ILE 45 CO 0.42 0.44 1.54 -1.58 -1.23 0.00 0.00 174.94 174.53 2k5r s GLN 46 N -0.65 3.06 -0.01 2.79 2.00 -0.01 -4.84 119.66 122.00 2k5r s GLN 46 Ca 0.39 0.37 0.15 0.00 -2.00 0.00 0.00 55.36 54.27 2k5r s GLN 46 Cb -0.23 -4.22 -0.19 0.00 0.80 0.00 0.00 33.01 29.17 2k5r s GLN 46 CO 0.26 -2.24 0.67 0.09 -0.50 0.00 0.00 175.29 173.57 2k5r n ASN 47 N 10.55 0.74 -4.62 6.67 3.02 -1.26 -4.81 115.26 125.56 2k5r n ASN 47 Ca 0.13 0.34 -0.43 0.00 -0.03 0.00 0.00 54.58 54.59 2k5r n ASN 47 Cb 0.50 0.22 -0.02 0.00 -0.61 0.00 0.00 39.78 39.87 2k5r n ASN 47 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2k5r s GLN 48 N -2.77 3.80 0.47 3.52 -0.21 -1.26 -5.00 119.66 118.21 2k5r s GLN 48 Ca -0.04 0.92 -0.22 0.00 0.02 0.00 0.00 55.36 56.04 2k5r s GLN 48 Cb 0.08 -3.90 -0.08 0.00 1.00 0.00 0.00 33.01 30.12 2k5r s GLN 48 CO 0.82 -1.27 1.10 -1.54 -2.12 0.00 0.00 175.29 172.28 2k5r s SER 49 N 2.74 6.23 -0.03 5.90 1.04 -1.26 -5.05 113.70 123.27 2k5r s SER 49 Ca 0.53 2.13 0.05 0.00 0.48 0.00 0.00 55.95 59.13 2k5r s SER 49 Cb -0.12 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.41 2k5r s SER 49 CO 0.27 -0.87 -0.16 -1.48 0.98 0.00 0.00 173.24 171.98 2k5r s LEU 50 N -3.24 1.97 0.25 2.42 0.05 -1.26 -5.00 118.68 113.87 2k5r s LEU 50 Ca 0.65 -0.32 0.23 0.00 0.05 0.00 0.00 54.13 54.75 2k5r s LEU 50 Cb -0.23 -0.89 0.16 0.00 -2.05 0.00 0.00 46.19 43.18 2k5r s LEU 50 CO 0.28 0.18 1.25 0.45 -0.55 0.00 0.00 176.35 177.95 2k5r h HIS 51 N 5.99 0.00 -3.99 3.48 3.86 -1.97 -3.47 115.15 119.05 2k5r h HIS 51 Ca -0.35 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.49 2k5r h HIS 51 Cb 1.16 0.00 -0.29 0.00 1.06 0.00 0.00 27.41 29.35 2k5r h HIS 51 CO 0.42 0.00 -0.77 -2.00 0.86 0.00 0.00 177.93 176.44 2k5r s GLU 52 N -3.29 0.64 -0.02 2.45 2.56 -1.26 -5.12 118.70 114.66 2k5r s GLU 52 Ca 0.03 -0.28 -0.24 0.00 0.00 0.00 0.00 54.97 54.48 2k5r s GLU 52 Cb 0.09 -0.62 0.05 0.00 2.00 0.00 0.00 34.13 35.65 2k5r s GLU 52 CO 0.74 0.17 0.53 0.00 -0.56 0.00 0.00 175.26 176.14 2k5r s ALA 53 N -0.18 -1.36 0.25 6.30 0.00 -1.26 -2.60 121.76 122.91 2k5r s ALA 53 Ca 0.03 0.85 0.01 0.00 0.00 0.00 0.00 51.96 52.85 2k5r s ALA 53 Cb -0.03 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2k5r s ALA 53 CO -0.00 -0.37 0.42 -0.51 0.00 0.00 0.00 175.76 175.30 2k5r s LEU 54 N -1.41 4.20 -0.01 0.00 1.43 0.67 -1.72 118.68 121.85 2k5r s LEU 54 Ca -0.11 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 2k5r s LEU 54 Cb -0.02 -3.11 0.01 0.00 0.03 0.00 0.00 46.19 43.10 2k5r s LEU 54 CO 0.06 -0.11 0.01 -0.51 0.23 0.00 0.00 176.35 176.02 2k5r s ILE 55 N -2.01 -0.01 0.79 -0.59 1.10 0.78 -1.22 121.20 120.04 2k5r s ILE 55 Ca 0.37 0.06 -0.13 0.00 -0.51 0.00 0.00 60.65 60.44 2k5r s ILE 55 Cb -0.10 -0.04 0.07 0.00 0.15 0.00 0.00 42.46 42.54 2k5r s ILE 55 CO 0.31 0.03 1.19 0.42 -2.11 0.00 0.00 174.94 174.78 2k5r s THR 56 N 0.32 2.25 0.40 4.00 -4.23 -0.45 -1.19 115.64 116.75 2k5r s THR 56 Ca -0.03 0.11 0.08 0.00 -1.18 0.00 0.00 61.69 60.67 2k5r s THR 56 Cb -0.04 -2.52 0.29 0.00 1.34 0.00 0.00 72.50 71.57 2k5r s THR 56 CO -0.01 -0.08 2.02 0.03 -0.54 0.00 0.00 174.62 176.04 2k5r h ARG 57 N -0.83 0.57 -0.58 3.99 3.08 -1.92 0.55 114.38 119.25 2k5r h ARG 57 Ca -0.46 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.47 2k5r h ARG 57 Cb 1.29 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 31.16 2k5r h ARG 57 CO 0.47 0.37 0.09 -0.25 -1.07 0.00 0.00 179.97 179.59 2k5r n ASP 58 N -4.47 5.03 -3.10 7.04 9.92 -1.26 -4.94 116.55 124.76 2k5r n ASP 58 Ca 0.06 -3.08 -0.22 0.00 -0.53 0.00 0.00 54.79 51.02 2k5r n ASP 58 Cb 0.16 -0.68 0.02 0.00 -0.64 0.00 0.00 41.12 39.98 2k5r n ASP 58 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2k5r n ARG 59 N 0.10 -4.16 -0.02 -1.24 1.74 0.19 -4.92 116.66 108.35 2k5r n ARG 59 Ca 0.32 0.74 -0.01 0.00 -0.77 0.00 0.00 57.85 58.13 2k5r n ARG 59 Cb 1.22 -5.53 -0.00 0.00 -1.02 0.00 0.00 32.46 27.12 2k5r n ARG 59 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2k5r h LYS 60 N -1.14 -0.04 -6.48 5.56 1.79 -1.93 -3.46 116.57 110.88 2k5r h LYS 60 Ca -0.48 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.35 2k5r h LYS 60 Cb 1.33 0.01 -0.14 0.00 -1.58 0.00 0.00 32.23 31.85 2k5r h LYS 60 CO 0.55 -0.03 -0.72 -0.65 -1.08 0.00 0.00 179.45 177.52 2k5r s GLN 61 N -1.57 2.17 0.10 3.15 -0.21 -1.26 -3.07 119.66 118.98 2k5r s GLN 61 Ca -0.01 -1.10 0.09 0.00 0.02 0.00 0.00 55.36 54.36 2k5r s GLN 61 Cb 0.00 -2.28 -0.04 0.00 1.00 0.00 0.00 33.01 31.69 2k5r s GLN 61 CO 0.02 0.48 -0.21 0.08 -2.12 0.00 0.00 175.29 173.54 2k5r s VAL 62 N -1.45 2.63 0.15 1.09 1.01 0.49 -1.33 120.40 122.99 2k5r s VAL 62 Ca 0.24 -1.49 0.03 0.00 0.00 0.00 0.00 61.98 60.76 2k5r s VAL 62 Cb -0.10 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 2k5r s VAL 62 CO 0.15 0.17 -0.06 -0.36 0.00 0.00 0.00 175.10 175.01 2k5r s PHE 63 N -1.05 1.22 -0.05 5.22 0.40 -0.36 -0.64 117.98 122.72 2k5r s PHE 63 Ca 0.16 -0.87 -0.06 0.00 -0.60 0.00 0.00 56.93 55.56 2k5r s PHE 63 Cb -0.10 -0.66 -0.04 0.00 0.51 0.00 0.00 43.02 42.72 2k5r s PHE 63 CO 0.07 -0.05 0.19 0.50 0.70 0.00 0.00 175.22 176.64 2k5r s ARG 64 N -3.82 3.49 -0.46 0.44 3.52 -1.26 -0.23 118.95 120.63 2k5r s ARG 64 Ca 0.19 -0.16 0.02 0.00 -0.13 0.00 0.00 55.73 55.65 2k5r s ARG 64 Cb 0.04 -3.14 0.12 0.00 -1.56 0.00 0.00 34.95 30.42 2k5r s ARG 64 CO 0.01 0.71 0.21 0.42 -0.81 0.00 0.00 175.30 175.84 2k5r s ILE 65 N -1.19 2.73 0.18 4.11 1.01 -1.07 -2.14 121.20 124.83 2k5r s ILE 65 Ca 0.22 -2.79 -0.08 0.00 0.00 0.00 0.00 60.65 58.00 2k5r s ILE 65 Cb -0.13 -2.91 -0.06 0.00 0.01 0.00 0.00 42.46 39.37 2k5r s ILE 65 CO 0.12 -0.73 0.47 -1.83 0.00 0.00 0.00 174.94 172.97 2k5r s GLU 66 N 0.32 3.74 0.00 2.79 -1.05 -1.22 -4.53 118.70 118.75 2k5r s GLU 66 Ca 0.14 0.15 0.00 0.00 -0.15 0.00 0.00 54.97 55.11 2k5r s GLU 66 Cb -0.22 -2.77 0.00 0.00 -0.44 0.00 0.00 34.13 30.70 2k5r s GLU 66 CO -0.04 0.40 0.00 -3.47 0.95 0.00 0.00 175.26 173.11 2k5r n ASP 67 N 0.10 0.00 -0.44 0.83 -0.08 -1.26 -1.06 116.55 114.64 2k5r n ASP 67 Ca -0.02 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.25 2k5r n ASP 67 Cb 0.52 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.97 2k5r n ASP 67 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2k5r n SER 68 N 1.14 -0.18 -4.21 1.67 2.88 -1.26 -5.14 113.62 108.51 2k5r n SER 68 Ca 0.00 -0.70 -0.34 0.00 -1.33 0.00 0.00 58.87 56.50 2k5r n SER 68 Cb 0.00 0.06 -0.15 0.00 -0.75 0.00 0.00 64.21 63.37 2k5r n SER 68 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2k5r s ILE 69 N 0.00 2.69 -0.84 2.46 -1.09 -0.23 -5.05 121.20 119.14 2k5r s ILE 69 Ca 0.00 -0.72 -0.25 0.00 -2.23 0.00 0.00 60.65 57.44 2k5r s ILE 69 Cb 0.00 -2.19 -0.09 0.00 -1.58 0.00 0.00 42.46 38.60 2k5r s ILE 69 CO 0.00 0.48 2.17 -2.16 -1.23 0.00 0.00 174.94 174.21 2k5r s PRO 70 N 1.38 2.09 -0.42 2.79 0.04 -1.26 -3.39 135.00 136.22 2k5r s PRO 70 Ca 0.05 0.11 -0.29 0.00 0.04 0.00 0.00 61.00 60.92 2k5r s PRO 70 Cb -0.14 -4.92 0.00 0.00 0.04 0.00 0.00 34.50 29.49 2k5r s PRO 70 CO -0.08 -3.89 1.50 0.08 0.04 0.00 0.00 177.00 174.65 2k5r s VAL 71 N 12.37 3.79 -2.16 -0.36 1.01 -0.91 -4.86 120.40 129.28 2k5r s VAL 71 Ca 0.81 0.79 0.18 0.00 0.00 0.00 0.00 61.98 63.76 2k5r s VAL 71 Cb -0.10 -4.12 0.44 0.00 0.00 0.00 0.00 36.38 32.61 2k5r s VAL 71 CO 0.04 -0.74 1.42 0.18 0.00 0.00 0.00 175.10 176.00 2k5r n LEU 72 N 9.30 2.57 -4.74 3.92 4.77 -1.26 -4.10 117.00 127.46 2k5r n LEU 72 Ca 0.17 -1.20 -0.41 0.00 -0.03 0.00 0.00 56.01 54.53 2k5r n LEU 72 Cb 0.48 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 2k5r n LEU 72 CO 0.70 0.60 1.15 -0.76 -1.33 0.00 0.00 177.39 177.75 2k5r s LEU 73 N -1.24 4.37 0.51 2.23 1.43 -1.26 -4.90 118.68 119.83 2k5r s LEU 73 Ca 0.34 2.73 0.34 0.00 -1.03 0.00 0.00 54.13 56.52 2k5r s LEU 73 Cb 0.18 -3.62 1.77 0.00 0.03 0.00 0.00 46.19 44.55 2k5r s LEU 73 CO 0.25 -0.76 2.04 1.55 0.23 0.00 0.00 176.35 179.66 2k5r h PRO 74 N 5.15 0.00 -0.54 1.29 0.13 -1.97 -2.00 132.00 134.06 2k5r h PRO 74 Ca -0.46 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 2k5r h PRO 74 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2k5r h PRO 74 CO 0.79 0.00 0.03 1.05 -0.23 0.00 0.00 178.00 179.65 2k5r h GLU 75 N 0.00 0.90 -0.49 0.86 4.11 -1.97 -2.85 114.58 115.14 2k5r h GLU 75 Ca 0.00 -0.24 0.00 0.00 0.07 0.00 0.00 59.36 59.19 2k5r h GLU 75 Cb 0.11 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2k5r h GLU 75 CO 0.00 0.87 0.00 0.39 0.07 0.00 0.00 179.01 180.34 2k5r n GLU 76 N -4.21 2.31 -2.41 1.06 -0.58 -0.76 -4.06 120.64 112.00 2k5r n GLU 76 Ca 0.03 -2.03 -0.42 0.00 -0.42 0.00 0.00 57.16 54.32 2k5r n GLU 76 Cb 0.30 -1.46 -0.02 0.00 -0.57 0.00 0.00 31.44 29.69 2k5r n GLU 76 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k5r s ALA 77 N -1.35 2.94 -0.13 0.62 0.00 -1.07 -4.02 121.76 118.75 2k5r s ALA 77 Ca 0.38 -0.47 -0.06 0.00 0.00 0.00 0.00 51.96 51.81 2k5r s ALA 77 Cb 0.21 -4.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 2k5r s ALA 77 CO 0.28 -2.66 0.09 0.42 0.00 0.00 0.00 175.76 173.89 2k5r s ILE 78 N 5.63 5.10 -0.23 0.00 -1.09 0.18 -3.70 121.20 127.09 2k5r s ILE 78 Ca 0.55 0.06 -0.17 0.00 -2.23 0.00 0.00 60.65 58.85 2k5r s ILE 78 Cb -0.11 -3.22 -0.03 0.00 -1.58 0.00 0.00 42.46 37.51 2k5r s ILE 78 CO 0.29 0.58 0.47 0.00 -1.23 0.00 0.00 174.94 175.05 2k5r s ALA 79 N -0.68 3.57 0.49 9.38 0.00 -1.26 -0.38 121.76 132.88 2k5r s ALA 79 Ca 0.12 -0.55 0.18 0.00 0.00 0.00 0.00 51.96 51.71 2k5r s ALA 79 Cb -0.12 -2.79 1.23 0.00 0.00 0.00 0.00 23.12 21.44 2k5r s ALA 79 CO 0.02 -0.55 2.04 1.79 0.00 0.00 0.00 175.76 179.07 2k5r h THR 80 N 5.24 0.88 0.00 0.00 1.35 -1.86 -1.17 112.91 117.35 2k5r h THR 80 Ca -0.32 -0.05 -0.00 0.00 -0.55 0.00 0.00 66.41 65.49 2k5r h THR 80 Cb 1.15 0.73 -0.00 0.00 -1.73 0.00 0.00 68.15 68.30 2k5r h THR 80 CO 0.71 0.03 -0.01 -0.29 -0.25 0.00 0.00 175.52 175.71 2k5r h ILE 81 N 0.14 0.37 -0.00 6.82 6.09 -1.93 -1.45 117.51 127.55 2k5r h ILE 81 Ca 0.17 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.59 2k5r h ILE 81 Cb 0.50 1.05 0.00 0.00 0.47 0.00 0.00 36.82 38.85 2k5r h ILE 81 CO -0.02 0.01 -0.30 0.00 -3.07 0.00 0.00 178.15 174.77 2k5r n GLN 82 N -3.59 0.35 -2.87 2.19 1.13 -0.44 -4.75 117.38 109.39 2k5r n GLN 82 Ca -0.03 -0.17 -0.43 0.00 -1.94 0.00 0.00 57.00 54.43 2k5r n GLN 82 Cb 0.10 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 28.92 2k5r n GLN 82 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2k5r s ILE 83 N -2.77 4.42 0.57 5.09 -1.09 -0.55 -4.79 121.20 122.08 2k5r s ILE 83 Ca 0.18 -0.68 0.27 0.00 -2.23 0.00 0.00 60.65 58.19 2k5r s ILE 83 Cb 0.19 -4.71 0.36 0.00 -1.58 0.00 0.00 42.46 36.71 2k5r s ILE 83 CO 0.59 -1.48 2.06 0.00 -1.23 0.00 0.00 174.94 174.89 2k5r h ALA 84 N 9.39 2.01 -0.58 9.38 0.00 -1.86 -1.45 119.26 136.16 2k5r h ALA 84 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2k5r h ALA 84 Cb 1.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2k5r h ALA 84 CO 1.17 -0.38 0.00 0.09 0.00 0.00 0.00 179.25 180.13 2k5r n ASN 85 N -3.99 3.70 -4.75 0.00 3.02 -1.26 -4.97 115.26 107.00 2k5r n ASN 85 Ca 0.04 -2.00 -0.41 0.00 -0.03 0.00 0.00 54.58 52.18 2k5r n ASN 85 Cb 0.39 -0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 39.16 2k5r n ASN 85 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2k5r s PHE 86 N -1.24 3.00 -0.56 3.10 5.36 -0.55 -4.80 117.98 122.29 2k5r s PHE 86 Ca 0.44 1.15 -0.33 0.00 -0.96 0.00 0.00 56.93 57.24 2k5r s PHE 86 Cb 0.24 -3.79 -0.14 0.00 -0.34 0.00 0.00 43.02 38.99 2k5r s PHE 86 CO 0.33 -2.45 2.37 -2.30 -1.46 0.00 0.00 175.22 171.71 2k5r n PRO 87 N 1.76 0.71 -2.90 10.12 -0.02 -1.26 -4.96 135.00 138.45 2k5r n PRO 87 Ca 0.04 0.12 -0.25 0.00 -2.02 0.00 0.00 63.50 61.40 2k5r n PRO 87 Cb 0.41 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2k5r n PRO 87 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2k5r s ASP 88 N 8.84 6.08 0.00 2.55 2.15 -1.26 -4.25 116.67 130.78 2k5r s ASP 88 Ca 1.15 0.60 0.00 0.00 0.43 0.00 0.00 52.55 54.73 2k5r s ASP 88 Cb -0.85 -1.94 0.00 0.00 -0.30 0.00 0.00 42.92 39.84 2k5r s ASP 88 CO 0.45 -0.59 0.00 0.29 -0.17 0.00 0.00 175.17 175.14 2k5r n LYS 89 N -2.12 0.00 -1.60 4.34 4.76 -1.26 -4.94 118.16 117.34 2k5r n LYS 89 Ca -0.00 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 54.99 2k5r n LYS 89 Cb 0.56 -0.55 -0.04 0.00 -1.84 0.00 0.00 35.03 33.17 2k5r n LYS 89 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2k5r n LEU 90 N 0.00 3.35 0.00 -0.35 7.94 -1.26 -4.09 117.00 122.59 2k5r n LEU 90 Ca 0.00 0.48 0.00 0.00 -1.11 0.00 0.00 56.01 55.38 2k5r n LEU 90 Cb 0.00 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 42.46 2k5r n LEU 90 CO 0.00 -0.41 0.00 -0.62 -1.11 0.00 0.00 177.39 175.25 2k5r n GLU 91 N 8.16 0.00 -3.63 1.96 -0.58 -1.26 -4.84 120.64 120.46 2k5r n GLU 91 Ca 0.28 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.81 2k5r n GLU 91 Cb 0.39 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.20 2k5r n GLU 91 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2k5r n HIS 92 N 0.00 -0.80 -2.02 -0.32 8.25 -1.26 -4.75 115.22 114.33 2k5r n HIS 92 Ca 0.00 0.40 -0.31 0.00 -0.26 0.00 0.00 57.72 57.55 2k5r n HIS 92 Cb 0.00 -1.69 -0.04 0.00 1.12 0.00 0.00 29.99 29.38 2k5r n HIS 92 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k5r s HIS 93 N -3.63 1.71 -1.11 4.41 3.76 -1.26 -4.86 115.29 114.31 2k5r s HIS 93 Ca 0.10 0.76 -0.17 0.00 -0.15 0.00 0.00 55.06 55.59 2k5r s HIS 93 Cb -0.06 -4.03 -0.07 0.00 1.11 0.00 0.00 32.58 29.54 2k5r s HIS 93 CO 0.64 -1.98 2.11 -2.39 -0.85 0.00 0.00 174.74 172.27 2k5r n HIS 94 N 13.69 2.57 -4.01 1.40 1.44 -1.26 -4.80 115.22 124.25 2k5r n HIS 94 Ca 0.32 -2.37 -0.11 0.00 -2.01 0.00 0.00 57.72 53.56 2k5r n HIS 94 Cb 0.49 -2.10 -0.04 0.00 0.12 0.00 0.00 29.99 28.46 2k5r n HIS 94 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2k5r s HIS 95 N 4.03 0.56 -0.13 -1.40 3.76 -1.26 -5.03 115.29 115.82 2k5r s HIS 95 Ca 0.53 -0.92 -0.29 0.00 -0.15 0.00 0.00 55.06 54.23 2k5r s HIS 95 Cb 0.14 0.16 -0.02 0.00 1.11 0.00 0.00 32.58 33.97 2k5r s HIS 95 CO 0.01 -1.09 1.32 -3.38 -0.85 0.00 0.00 174.74 170.75 2k5r s HIS 96 N -3.56 2.77 -1.06 1.40 0.00 -1.26 -4.98 115.29 108.59 2k5r s HIS 96 Ca 0.24 0.91 0.00 0.00 -3.00 0.00 0.00 55.06 53.21 2k5r s HIS 96 Cb -0.01 -3.56 0.00 0.00 -4.00 0.00 0.00 32.58 25.01 2k5r s HIS 96 CO 0.13 -1.99 0.27 1.58 -1.00 0.00 0.00 174.74 173.72