#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 6.12 0.57 7.83 1.01 -1.26 -4.91 116.67 126.02 2k5r s ASP 2 Ca 0.00 -1.14 0.37 0.00 0.71 0.00 0.00 52.55 52.49 2k5r s ASP 2 Cb 0.00 -2.17 1.84 0.00 1.01 0.00 0.00 42.92 43.60 2k5r s ASP 2 CO 0.00 -0.56 2.13 0.03 0.21 0.00 0.00 175.17 176.98 2k5r h ARG 3 N 8.69 0.00 -0.80 8.23 3.08 -2.08 0.39 114.38 131.89 2k5r h ARG 3 Ca -0.28 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.87 2k5r h ARG 3 Cb 1.11 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.09 2k5r h ARG 3 CO 0.81 0.00 0.45 0.87 -1.07 0.00 0.00 179.97 181.03 2k5r h LYS 4 N 0.00 0.74 0.11 0.04 1.57 -2.05 -3.05 116.57 113.92 2k5r h LYS 4 Ca 0.00 -0.04 -0.32 0.00 -1.87 0.00 0.00 60.65 58.42 2k5r h LYS 4 Cb 0.22 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2k5r h LYS 4 CO 0.00 0.49 -1.65 -0.07 -0.57 0.00 0.00 179.45 177.64 2k5r h LEU 5 N 0.76 0.35 -7.95 2.94 -0.00 -1.53 -3.42 115.31 106.46 2k5r h LEU 5 Ca 0.39 -0.57 -0.27 0.00 -0.00 0.00 0.00 57.88 57.43 2k5r h LEU 5 Cb 0.36 -0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 40.88 2k5r h LEU 5 CO -0.25 1.48 0.88 0.18 -0.00 0.00 0.00 178.44 180.74 2k5r n LEU 6 N -3.41 2.72 -0.49 1.67 4.77 -0.04 -4.64 117.00 117.57 2k5r n LEU 6 Ca -0.20 -3.02 0.11 0.00 -0.03 0.00 0.00 56.01 52.87 2k5r n LEU 6 Cb 1.05 -1.72 0.42 0.00 -2.33 0.00 0.00 43.42 40.84 2k5r n LEU 6 CO 0.48 -2.19 0.80 1.41 -1.33 0.00 0.00 177.39 176.56 2k5r n HIS 7 N 15.42 0.16 -1.08 -1.77 8.25 -1.26 -4.85 115.22 130.09 2k5r n HIS 7 Ca 0.44 -0.08 -0.03 0.00 -0.26 0.00 0.00 57.72 57.80 2k5r n HIS 7 Cb 0.46 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.56 2k5r n HIS 7 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2k5r n LEU 8 N 0.20 0.09 -4.55 2.41 7.99 -1.26 -4.96 117.00 116.91 2k5r n LEU 8 Ca 0.17 0.07 -0.36 0.00 -0.01 0.00 0.00 56.01 55.88 2k5r n LEU 8 Cb 0.31 -1.36 -0.04 0.00 -0.11 0.00 0.00 43.42 42.22 2k5r n LEU 8 CO 0.13 -0.42 1.46 -0.22 -1.51 0.00 0.00 177.39 176.83 2k5r s LEU 9 N -0.61 3.25 0.32 2.23 0.20 -1.26 -4.93 118.68 117.89 2k5r s LEU 9 Ca 0.00 -0.22 0.03 0.00 0.69 0.00 0.00 54.13 54.63 2k5r s LEU 9 Cb 0.00 -2.55 -0.04 0.00 -0.43 0.00 0.00 46.19 43.18 2k5r s LEU 9 CO 0.00 -2.34 0.14 0.00 -0.29 0.00 0.00 176.35 173.86 2k5r s SER 11 N -3.43 6.80 -0.94 0.00 0.01 -1.26 -4.86 113.70 110.02 2k5r s SER 11 Ca 0.34 0.95 -0.25 0.00 1.31 0.00 0.00 55.95 58.30 2k5r s SER 11 Cb 0.05 -2.27 -0.07 0.00 0.21 0.00 0.00 66.02 63.94 2k5r s SER 11 CO 0.17 0.22 2.01 -2.84 0.41 0.00 0.00 173.24 173.21 2k5r s PRO 12 N -0.57 2.37 0.32 12.44 0.02 -1.26 -4.82 135.00 143.51 2k5r s PRO 12 Ca 0.25 -0.32 0.04 0.00 0.02 0.00 0.00 61.00 60.98 2k5r s PRO 12 Cb -0.17 -5.05 0.65 0.00 0.02 0.00 0.00 34.50 29.96 2k5r s PRO 12 CO 0.13 -3.69 1.88 0.22 -0.33 0.00 0.00 177.00 175.21 2k5r h ASP 13 N 11.24 0.81 0.00 2.53 3.58 -1.97 0.12 116.42 132.72 2k5r h ASP 13 Ca 0.10 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2k5r h ASP 13 Cb 0.99 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.91 2k5r h ASP 13 CO 1.18 0.46 0.00 0.35 -2.88 0.00 0.00 179.24 178.35 2k5r n THR 14 N -4.55 0.00 -0.49 2.25 -2.24 -1.26 -1.60 114.28 106.40 2k5r n THR 14 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 2k5r n THR 14 Cb 0.33 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.32 0.95 -3.32 -0.78 0.63 0.39 -5.09 116.66 109.12 2k5r n ARG 15 Ca 0.00 -0.80 -0.33 0.00 -0.92 0.00 0.00 57.85 55.81 2k5r n ARG 15 Cb 0.05 -0.76 -0.06 0.00 0.45 0.00 0.00 32.46 32.14 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 -0.37 3.89 0.30 -0.14 -1.52 -0.63 -5.05 119.66 116.15 2k5r s GLN 16 Ca 0.00 0.43 -0.29 0.00 -1.95 0.00 0.00 55.36 53.55 2k5r s GLN 16 Cb 0.00 -2.63 -0.10 0.00 -0.22 0.00 0.00 33.01 30.06 2k5r s GLN 16 CO 0.00 0.30 1.20 -2.14 -0.25 0.00 0.00 175.29 174.40 2k5r s PRO 17 N -2.72 4.50 0.34 2.91 0.02 -1.26 -4.86 135.00 133.93 2k5r s PRO 17 Ca 0.48 2.01 -0.19 0.00 0.02 0.00 0.00 61.00 63.31 2k5r s PRO 17 Cb -0.12 -3.13 -0.10 0.00 0.02 0.00 0.00 34.50 31.17 2k5r s PRO 17 CO 0.20 0.01 0.84 -0.51 -0.33 0.00 0.00 177.00 177.21 2k5r s LEU 18 N -1.59 4.10 0.24 -5.54 1.43 -1.26 -4.08 118.68 111.97 2k5r s LEU 18 Ca 0.47 1.52 0.05 0.00 -1.03 0.00 0.00 54.13 55.14 2k5r s LEU 18 Cb -0.36 -4.15 -0.05 0.00 0.03 0.00 0.00 46.19 41.66 2k5r s LEU 18 CO 0.47 -0.20 -0.06 -0.44 0.23 0.00 0.00 176.35 176.35 2k5r s SER 19 N -2.05 2.29 -0.01 2.29 0.01 -0.60 -4.97 113.70 110.65 2k5r s SER 19 Ca 0.54 -1.16 -0.30 0.00 1.31 0.00 0.00 55.95 56.35 2k5r s SER 19 Cb -0.12 -0.08 -0.05 0.00 0.21 0.00 0.00 66.02 65.98 2k5r s SER 19 CO 0.17 -0.38 1.37 -0.22 0.41 0.00 0.00 173.24 174.59 2k5r s LEU 20 N -3.34 4.31 0.02 2.44 1.98 -1.26 -0.27 118.68 122.55 2k5r s LEU 20 Ca 0.27 2.05 -0.30 0.00 -2.89 0.00 0.00 54.13 53.26 2k5r s LEU 20 Cb 0.04 -3.56 -0.08 0.00 0.66 0.00 0.00 46.19 43.25 2k5r s LEU 20 CO 0.09 -0.70 1.80 -0.22 -1.89 0.00 0.00 176.35 175.42 2k5r s LEU 21 N 2.43 4.38 0.18 -0.68 2.96 -0.35 -4.72 118.68 122.88 2k5r s LEU 21 Ca 0.62 2.50 -0.33 0.00 -0.22 0.00 0.00 54.13 56.70 2k5r s LEU 21 Cb -0.30 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 42.71 2k5r s LEU 21 CO 0.25 -0.98 1.52 1.21 -1.32 0.00 0.00 176.35 177.03 2k5r n GLU 22 N 6.89 2.06 0.01 1.98 2.13 -1.26 -4.72 120.64 127.72 2k5r n GLU 22 Ca 0.18 0.74 0.12 0.00 0.66 0.00 0.00 57.16 58.86 2k5r n GLU 22 Cb 0.41 -2.47 0.55 0.00 0.27 0.00 0.00 31.44 30.21 2k5r n GLU 22 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2k5r h SER 23 N 5.36 0.24 -0.70 4.31 0.87 -1.98 0.36 113.55 122.01 2k5r h SER 23 Ca -0.45 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2k5r h SER 23 Cb 1.26 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 63.14 2k5r h SER 23 CO 0.84 0.15 0.43 0.11 -0.53 0.00 0.00 176.83 177.84 2k5r h LYS 24 N 0.27 0.96 0.02 2.24 1.79 -2.02 -2.21 116.57 117.62 2k5r h LYS 24 Ca 0.21 -0.08 -0.24 0.00 -2.18 0.00 0.00 60.65 58.36 2k5r h LYS 24 Cb 0.46 -0.21 0.01 0.00 -1.58 0.00 0.00 32.23 30.91 2k5r h LYS 24 CO -0.04 0.67 -0.99 0.78 -1.08 0.00 0.00 179.45 178.79 2k5r h GLY 25 N 1.01 0.49 0.37 3.86 0.00 -0.82 -3.35 103.07 104.63 2k5r h GLY 25 Ca 0.26 -0.89 0.07 0.00 0.00 0.00 0.00 47.33 46.77 2k5r h GLY 25 CO -0.05 0.78 0.01 -2.00 0.00 0.00 0.00 176.54 175.29 2k5r h LEU 26 N 0.24 -0.14 -1.86 3.11 5.85 -0.02 0.19 115.31 122.68 2k5r h LEU 26 Ca -0.09 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.75 2k5r h LEU 26 Cb 1.63 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 2k5r h LEU 26 CO 0.17 -0.03 0.17 1.05 -0.34 0.00 0.00 178.44 179.46 2k5r h GLU 27 N 0.12 0.18 -0.36 1.25 4.11 -1.58 -1.20 114.58 117.10 2k5r h GLU 27 Ca 0.20 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.61 2k5r h GLU 27 Cb 0.28 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2k5r h GLU 27 CO -0.32 0.12 0.20 0.00 0.07 0.00 0.00 179.01 179.08 2k5r h ALA 28 N 1.86 0.46 -0.45 1.06 0.00 -1.10 0.13 119.26 121.22 2k5r h ALA 28 Ca 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2k5r h ALA 28 Cb 0.21 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2k5r h ALA 28 CO -0.02 -0.01 0.18 -0.07 0.00 0.00 0.00 179.25 179.34 2k5r h LEU 29 N 0.45 0.61 -0.15 0.00 -0.00 -1.02 -1.50 115.31 113.70 2k5r h LEU 29 Ca 0.13 -0.16 0.03 0.00 -0.00 0.00 0.00 57.88 57.87 2k5r h LEU 29 Cb 0.06 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 40.54 2k5r h LEU 29 CO -0.02 0.61 -0.03 0.78 -0.00 0.00 0.00 178.44 179.78 2k5r h ASN 30 N 0.58 -0.12 -0.83 -0.43 -0.26 -0.90 0.55 115.58 114.17 2k5r h ASN 30 Ca 0.15 0.04 -0.03 0.00 -0.56 0.00 0.00 56.30 55.90 2k5r h ASN 30 Cb 0.18 0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 37.49 2k5r h ASN 30 CO -0.01 -0.04 0.41 0.11 -1.06 0.00 0.00 177.43 176.84 2k5r h LYS 31 N 0.01 1.18 -0.70 0.81 1.57 -0.70 -0.59 116.57 118.15 2k5r h LYS 31 Ca 0.07 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 2k5r h LYS 31 Cb 0.11 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2k5r h LYS 31 CO -0.15 0.90 0.18 0.00 -0.57 0.00 0.00 179.45 179.81 2k5r h ALA 32 N 1.22 0.99 0.02 3.86 0.00 -0.91 0.69 119.26 125.12 2k5r h ALA 32 Ca 0.29 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2k5r h ALA 32 Cb 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2k5r h ALA 32 CO -0.04 0.66 -0.01 0.82 0.00 0.00 0.00 179.25 180.68 2k5r h ILE 33 N 1.06 1.15 -0.17 0.00 2.04 -0.47 -1.73 117.51 119.38 2k5r h ILE 33 Ca 0.22 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2k5r h ILE 33 Cb 0.36 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2k5r h ILE 33 CO 0.00 0.13 0.05 0.58 0.00 0.00 0.00 178.15 178.90 2k5r h VAL 34 N -0.24 1.08 0.00 1.67 2.07 -1.03 0.55 116.25 120.36 2k5r h VAL 34 Ca -0.00 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2k5r h VAL 34 Cb 0.23 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2k5r h VAL 34 CO 0.00 0.10 0.00 -1.28 0.02 0.00 0.00 177.57 176.42 2k5r h SER 35 N 0.24 0.00 -3.08 0.57 0.87 -0.62 -3.47 113.55 108.05 2k5r h SER 35 Ca 0.06 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.49 2k5r h SER 35 Cb 0.09 0.00 0.06 0.00 -0.44 0.00 0.00 62.40 62.11 2k5r h SER 35 CO -0.00 0.00 -0.27 0.61 -0.53 0.00 0.00 176.83 176.64 2k5r n GLY 36 N 0.14 0.27 0.34 5.77 0.00 0.18 -4.97 105.19 106.92 2k5r n GLY 36 Ca 0.01 -0.30 0.04 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.75 0.73 -3.30 2.61 5.66 -0.97 -5.02 114.28 111.25 2k5r n THR 37 Ca -0.05 -0.89 -0.46 0.00 -3.05 0.00 0.00 64.05 59.60 2k5r n THR 37 Cb 0.54 0.22 -0.05 0.00 -1.55 0.00 0.00 70.33 69.49 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 -1.12 5.17 0.18 1.08 1.01 -1.26 -4.86 120.40 120.61 2k5r s VAL 38 Ca 0.13 -1.39 -0.22 0.00 0.00 0.00 0.00 61.98 60.50 2k5r s VAL 38 Cb 0.11 -4.33 -0.08 0.00 0.00 0.00 0.00 36.38 32.08 2k5r s VAL 38 CO 0.01 -0.87 0.72 -1.10 0.00 0.00 0.00 175.10 173.86 2k5r s GLN 39 N 1.73 4.36 0.72 2.72 -0.21 -1.26 -1.13 119.66 126.59 2k5r s GLN 39 Ca 0.04 0.96 -0.11 0.00 0.02 0.00 0.00 55.36 56.27 2k5r s GLN 39 Cb -0.29 -3.08 0.04 0.00 1.00 0.00 0.00 33.01 30.68 2k5r s GLN 39 CO 0.04 0.50 1.09 0.50 -2.12 0.00 0.00 175.29 175.30 2k5r s ARG 40 N -1.54 2.57 0.31 2.91 6.06 0.56 -4.49 118.95 125.34 2k5r s ARG 40 Ca 0.38 0.25 0.04 0.00 -2.50 0.00 0.00 55.73 53.90 2k5r s ARG 40 Cb -0.20 -2.04 0.63 0.00 0.06 0.00 0.00 34.95 33.40 2k5r s ARG 40 CO 0.23 -1.16 1.86 0.00 -2.50 0.00 0.00 175.30 173.72 2k5r h ALA 41 N -0.70 1.61 0.75 6.12 0.00 -1.08 -1.77 119.26 124.19 2k5r h ALA 41 Ca -0.45 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 2k5r h ALA 41 Cb 1.28 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.88 2k5r h ALA 41 CO 0.64 0.16 -0.36 0.22 0.00 0.00 0.00 179.25 179.91 2k5r h ASP 42 N 0.91 -0.85 0.00 0.00 3.58 -1.84 -3.49 116.42 114.73 2k5r h ASP 42 Ca 0.46 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.92 2k5r h ASP 42 Cb 0.50 0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2k5r h ASP 42 CO -0.22 -0.55 0.00 0.61 -2.88 0.00 0.00 179.24 176.20 2k5r n GLY 43 N -1.24 0.89 3.72 -0.78 0.00 -0.67 -5.14 105.19 101.98 2k5r n GLY 43 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 2k5r n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k5r n SER 44 N 0.00 2.56 -4.68 1.61 3.41 -1.26 -4.14 113.62 111.11 2k5r n SER 44 Ca 0.00 1.03 -0.43 0.00 -0.26 0.00 0.00 58.87 59.21 2k5r n SER 44 Cb 0.00 -1.54 -0.02 0.00 -0.26 0.00 0.00 64.21 62.39 2k5r n SER 44 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2k5r s ILE 45 N -1.27 4.51 -0.49 -1.33 -1.09 -1.26 -0.32 121.20 119.96 2k5r s ILE 45 Ca 0.67 1.81 -0.27 0.00 -2.23 0.00 0.00 60.65 60.63 2k5r s ILE 45 Cb -0.45 -4.17 0.03 0.00 -1.58 0.00 0.00 42.46 36.29 2k5r s ILE 45 CO 0.53 -0.04 1.06 -1.58 -1.23 0.00 0.00 174.94 173.68 2k5r s GLN 46 N 2.46 3.62 0.00 2.79 0.74 -0.29 -4.87 119.66 124.12 2k5r s GLN 46 Ca 0.51 0.35 0.24 0.00 0.05 0.00 0.00 55.36 56.51 2k5r s GLN 46 Cb -0.20 -3.93 0.23 0.00 1.10 0.00 0.00 33.01 30.20 2k5r s GLN 46 CO 0.17 -1.37 1.22 0.09 -0.55 0.00 0.00 175.29 174.86 2k5r n ASN 47 N 7.66 0.77 -4.57 6.67 3.02 -1.26 -4.74 115.26 122.81 2k5r n ASN 47 Ca 0.09 -0.61 -0.41 0.00 -0.03 0.00 0.00 54.58 53.62 2k5r n ASN 47 Cb 0.49 0.53 -0.03 0.00 -0.61 0.00 0.00 39.78 40.16 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 -2.95 3.14 -1.11 3.52 -0.21 -1.26 -4.93 119.66 115.86 2k5r s GLN 48 Ca 0.11 0.39 -0.23 0.00 0.02 0.00 0.00 55.36 55.65 2k5r s GLN 48 Cb 0.17 -4.19 -0.05 0.00 1.00 0.00 0.00 33.01 29.94 2k5r s GLN 48 CO 0.75 -2.14 1.89 -1.54 -2.12 0.00 0.00 175.29 172.13 2k5r s SER 49 N 5.11 5.33 0.42 5.90 1.04 -1.26 -4.95 113.70 125.29 2k5r s SER 49 Ca 0.53 -1.47 -0.26 0.00 0.48 0.00 0.00 55.95 55.23 2k5r s SER 49 Cb -0.11 -2.58 -0.10 0.00 0.10 0.00 0.00 66.02 63.33 2k5r s SER 49 CO 0.23 -2.70 1.42 0.00 0.98 0.00 0.00 173.24 173.16 2k5r n LEU 50 N 13.35 4.78 -0.90 2.42 -0.00 -1.26 -4.93 117.00 130.47 2k5r n LEU 50 Ca 0.43 1.16 0.09 0.00 -0.00 0.00 0.00 56.01 57.69 2k5r n LEU 50 Cb 0.47 -1.59 0.18 0.00 -0.00 0.00 0.00 43.42 42.48 2k5r n LEU 50 CO 0.66 -0.13 0.64 1.41 -0.00 0.00 0.00 177.39 179.97 2k5r n HIS 51 N 0.03 0.45 -3.62 1.47 8.25 -1.26 -4.76 115.22 115.77 2k5r n HIS 51 Ca 0.04 -0.30 -0.11 0.00 -0.26 0.00 0.00 57.72 57.09 2k5r n HIS 51 Cb 0.40 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.44 2k5r n HIS 51 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2k5r s GLU 52 N -1.19 0.60 0.28 -0.41 2.12 -1.26 -5.12 118.70 113.71 2k5r s GLU 52 Ca 0.31 0.59 -0.19 0.00 0.36 0.00 0.00 54.97 56.03 2k5r s GLU 52 Cb 0.18 0.29 0.02 0.00 0.26 0.00 0.00 34.13 34.87 2k5r s GLU 52 CO 0.24 -0.10 0.67 0.00 -0.54 0.00 0.00 175.26 175.54 2k5r s ALA 53 N 0.01 -1.00 -0.16 6.30 0.00 -1.26 -2.81 121.76 122.83 2k5r s ALA 53 Ca 0.01 -0.44 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 2k5r s ALA 53 Cb -0.04 0.89 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 2k5r s ALA 53 CO -0.03 -1.00 -0.06 -0.51 0.00 0.00 0.00 175.76 174.15 2k5r s LEU 54 N -2.94 3.03 -0.14 0.00 1.43 -0.01 -1.21 118.68 118.83 2k5r s LEU 54 Ca 0.13 -0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 52.93 2k5r s LEU 54 Cb -0.05 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 2k5r s LEU 54 CO 0.08 0.13 0.10 -0.51 0.23 0.00 0.00 176.35 176.38 2k5r s ILE 55 N 0.58 5.15 0.57 -0.59 1.10 0.63 -0.39 121.20 128.25 2k5r s ILE 55 Ca -0.04 0.08 -0.17 0.00 -0.51 0.00 0.00 60.65 60.01 2k5r s ILE 55 Cb -0.15 -3.27 -0.04 0.00 0.15 0.00 0.00 42.46 39.15 2k5r s ILE 55 CO 0.03 0.55 1.07 0.42 -2.11 0.00 0.00 174.94 174.90 2k5r s THR 56 N -0.44 3.65 -1.06 4.00 -4.23 -0.69 -1.56 115.64 115.31 2k5r s THR 56 Ca 0.11 0.86 0.18 0.00 -1.18 0.00 0.00 61.69 61.66 2k5r s THR 56 Cb -0.12 -3.35 0.18 0.00 1.34 0.00 0.00 72.50 70.55 2k5r s THR 56 CO 0.02 -0.38 1.59 0.54 -0.54 0.00 0.00 174.62 175.84 2k5r n ARG 57 N -1.76 0.04 -0.22 3.99 1.74 -1.26 -0.49 116.66 118.70 2k5r n ARG 57 Ca 0.09 0.17 0.10 0.00 -0.77 0.00 0.00 57.85 57.44 2k5r n ARG 57 Cb 0.52 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.68 2k5r n ARG 57 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2k5r n ASP 58 N -1.47 3.33 -1.97 0.55 -0.08 -1.26 -4.98 116.55 110.66 2k5r n ASP 58 Ca 0.05 -1.94 -0.18 0.00 -1.51 0.00 0.00 54.79 51.20 2k5r n ASP 58 Cb 0.21 -0.29 -0.02 0.00 2.34 0.00 0.00 41.12 43.36 2k5r n ASP 58 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2k5r n ARG 59 N 1.22 -1.44 -0.10 -0.67 3.00 0.35 -4.90 116.66 114.12 2k5r n ARG 59 Ca 0.18 0.95 -0.13 0.00 -0.01 0.00 0.00 57.85 58.83 2k5r n ARG 59 Cb 0.54 -5.43 -0.14 0.00 0.00 0.00 0.00 32.46 27.43 2k5r n ARG 59 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2k5r n LYS 60 N -2.71 0.67 -4.56 5.56 5.02 -1.26 -4.73 118.16 116.14 2k5r n LYS 60 Ca -0.21 0.07 -0.24 0.00 -2.02 0.00 0.00 58.31 55.91 2k5r n LYS 60 Cb 0.66 -1.54 -0.14 0.00 -0.02 0.00 0.00 35.03 33.99 2k5r n LYS 60 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2k5r s GLN 61 N -2.51 1.27 -0.07 1.97 -0.21 -1.26 -0.95 119.66 117.91 2k5r s GLN 61 Ca -0.20 -0.89 0.05 0.00 0.02 0.00 0.00 55.36 54.34 2k5r s GLN 61 Cb 0.07 -1.36 -0.00 0.00 1.00 0.00 0.00 33.01 32.72 2k5r s GLN 61 CO 0.74 0.34 -0.22 0.08 -2.12 0.00 0.00 175.29 174.12 2k5r s VAL 62 N -0.81 1.81 0.23 1.09 1.01 -0.08 -1.71 120.40 121.95 2k5r s VAL 62 Ca 0.06 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.19 2k5r s VAL 62 Cb -0.09 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2k5r s VAL 62 CO 0.02 0.51 0.21 -0.36 0.00 0.00 0.00 175.10 175.48 2k5r s PHE 63 N 0.13 3.17 -0.15 5.22 0.40 0.48 -0.33 117.98 126.90 2k5r s PHE 63 Ca -0.10 -0.08 -0.07 0.00 -0.60 0.00 0.00 56.93 56.09 2k5r s PHE 63 Cb -0.15 -1.45 -0.04 0.00 0.51 0.00 0.00 43.02 41.89 2k5r s PHE 63 CO 0.05 0.51 0.09 0.50 0.70 0.00 0.00 175.22 177.07 2k5r s ARG 64 N -3.73 3.71 -0.15 0.44 3.00 -1.25 -0.83 118.95 120.14 2k5r s ARG 64 Ca 0.33 -0.26 -0.03 0.00 -1.00 0.00 0.00 55.73 54.76 2k5r s ARG 64 Cb -0.08 -3.19 -0.03 0.00 0.00 0.00 0.00 34.95 31.66 2k5r s ARG 64 CO 0.25 0.49 -0.05 0.42 0.00 0.00 0.00 175.30 176.41 2k5r s ILE 65 N -0.24 3.74 0.02 4.11 1.01 -1.13 -1.47 121.20 127.25 2k5r s ILE 65 Ca 0.09 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.38 2k5r s ILE 65 Cb -0.12 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 2k5r s ILE 65 CO 0.01 0.50 -0.15 -1.83 0.00 0.00 0.00 174.94 173.47 2k5r s GLU 66 N 0.34 1.08 0.00 2.79 -1.05 -0.98 -4.63 118.70 116.26 2k5r s GLU 66 Ca -0.05 -0.70 0.00 0.00 -0.15 0.00 0.00 54.97 54.07 2k5r s GLU 66 Cb -0.14 -1.09 0.00 0.00 -0.44 0.00 0.00 34.13 32.45 2k5r s GLU 66 CO 0.03 0.28 0.00 -3.47 0.95 0.00 0.00 175.26 173.06 2k5r n ASP 67 N 2.18 0.00 -0.15 0.83 2.03 -1.26 -0.83 116.55 119.35 2k5r n ASP 67 Ca -0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.14 2k5r n ASP 67 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 2k5r n ASP 67 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2k5r n SER 68 N 1.48 0.00 -4.28 1.67 7.64 -1.26 -5.13 113.62 113.74 2k5r n SER 68 Ca 0.00 -1.02 -0.33 0.00 1.01 0.00 0.00 58.87 58.53 2k5r n SER 68 Cb 0.00 -0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.04 2k5r n SER 68 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2k5r s ILE 69 N 0.00 2.66 -0.59 0.44 -1.09 -0.01 -5.08 121.20 117.54 2k5r s ILE 69 Ca 0.00 -0.78 -0.28 0.00 -2.23 0.00 0.00 60.65 57.36 2k5r s ILE 69 Cb 0.00 -2.11 0.01 0.00 -1.58 0.00 0.00 42.46 38.79 2k5r s ILE 69 CO 0.00 0.52 1.42 -2.16 -1.23 0.00 0.00 174.94 173.50 2k5r s PRO 70 N 0.63 3.25 -0.49 2.79 0.04 -1.26 -2.32 135.00 137.64 2k5r s PRO 70 Ca -0.09 0.37 -0.29 0.00 0.04 0.00 0.00 61.00 61.04 2k5r s PRO 70 Cb -0.16 -4.15 0.03 0.00 0.04 0.00 0.00 34.50 30.27 2k5r s PRO 70 CO 0.03 -2.01 1.13 0.08 0.04 0.00 0.00 177.00 176.27 2k5r s VAL 71 N 6.19 4.20 -0.93 -0.36 1.01 -0.54 -4.89 120.40 125.08 2k5r s VAL 71 Ca 0.51 1.17 0.16 0.00 0.00 0.00 0.00 61.98 63.82 2k5r s VAL 71 Cb -0.10 -4.61 0.71 0.00 0.00 0.00 0.00 36.38 32.38 2k5r s VAL 71 CO 0.23 -1.04 1.61 0.18 0.00 0.00 0.00 175.10 176.09 2k5r n LEU 72 N 7.87 4.81 -4.70 3.92 4.77 -1.26 -3.74 117.00 128.66 2k5r n LEU 72 Ca 0.11 -2.43 -0.42 0.00 -0.03 0.00 0.00 56.01 53.24 2k5r n LEU 72 Cb 0.49 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 2k5r n LEU 72 CO 0.72 0.73 1.24 -0.76 -1.33 0.00 0.00 177.39 177.98 2k5r s LEU 73 N -1.99 4.36 0.55 2.23 1.43 -1.26 -4.89 118.68 119.10 2k5r s LEU 73 Ca 0.49 2.45 0.24 0.00 -1.03 0.00 0.00 54.13 56.28 2k5r s LEU 73 Cb 0.33 -3.57 1.46 0.00 0.03 0.00 0.00 46.19 44.44 2k5r s LEU 73 CO 0.21 -0.81 2.08 1.55 0.23 0.00 0.00 176.35 179.61 2k5r h PRO 74 N 7.65 0.00 -0.74 1.29 0.13 -1.99 -0.08 132.00 138.26 2k5r h PRO 74 Ca -0.42 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.72 2k5r h PRO 74 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2k5r h PRO 74 CO 0.91 0.00 0.49 0.93 -0.23 0.00 0.00 178.00 180.10 2k5r h GLU 75 N 0.00 0.98 0.00 0.86 4.39 -1.96 -2.24 114.58 116.61 2k5r h GLU 75 Ca 0.12 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2k5r h GLU 75 Cb 0.52 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2k5r h GLU 75 CO -0.00 0.65 0.00 0.39 -1.16 0.00 0.00 179.01 178.89 2k5r n GLU 76 N -4.42 0.10 -2.00 2.33 -0.58 -0.04 -3.62 120.64 112.41 2k5r n GLU 76 Ca 0.08 0.22 -0.41 0.00 -0.42 0.00 0.00 57.16 56.63 2k5r n GLU 76 Cb 0.03 -1.66 -0.02 0.00 -0.57 0.00 0.00 31.44 29.23 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 -3.10 3.60 -0.16 0.62 0.00 -0.84 -4.44 121.76 117.43 2k5r s ALA 77 Ca 0.09 1.36 -0.03 0.00 0.00 0.00 0.00 51.96 53.38 2k5r s ALA 77 Cb 0.12 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 2k5r s ALA 77 CO 0.43 -0.77 -0.06 0.42 0.00 0.00 0.00 175.76 175.77 2k5r s ILE 78 N -0.39 3.56 -0.53 0.00 -1.09 0.55 -0.91 121.20 122.40 2k5r s ILE 78 Ca 0.56 -0.47 -0.28 0.00 -2.23 0.00 0.00 60.65 58.24 2k5r s ILE 78 Cb -0.42 -2.55 0.03 0.00 -1.58 0.00 0.00 42.46 37.93 2k5r s ILE 78 CO 0.48 0.49 1.12 0.00 -1.23 0.00 0.00 174.94 175.80 2k5r s ALA 79 N 0.54 3.09 0.65 9.38 0.00 -1.26 -0.90 121.76 133.26 2k5r s ALA 79 Ca -0.05 -0.75 0.44 0.00 0.00 0.00 0.00 51.96 51.60 2k5r s ALA 79 Cb -0.15 -3.91 2.38 0.00 0.00 0.00 0.00 23.12 21.44 2k5r s ALA 79 CO 0.03 -2.43 2.36 1.79 0.00 0.00 0.00 175.76 177.51 2k5r h THR 80 N 6.16 0.02 0.00 0.00 1.35 -1.33 -2.47 112.91 116.64 2k5r h THR 80 Ca -0.24 -0.02 -0.00 0.00 -0.55 0.00 0.00 66.41 65.60 2k5r h THR 80 Cb 1.06 1.02 -0.00 0.00 -1.73 0.00 0.00 68.15 68.50 2k5r h THR 80 CO 1.14 0.00 -0.01 -0.29 -0.25 0.00 0.00 175.52 176.11 2k5r h ILE 81 N 0.00 0.64 0.00 6.82 6.09 -1.90 -0.94 117.51 128.23 2k5r h ILE 81 Ca -0.00 -0.05 -0.17 0.00 -1.37 0.00 0.00 64.86 63.27 2k5r h ILE 81 Cb 0.02 1.03 -0.03 0.00 0.47 0.00 0.00 36.82 38.31 2k5r h ILE 81 CO 0.00 0.01 -1.05 0.06 -3.07 0.00 0.00 178.15 174.10 2k5r h GLN 82 N 0.00 0.00 -6.19 2.19 3.07 -1.84 -3.44 115.11 108.90 2k5r h GLN 82 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 58.65 58.22 2k5r h GLN 82 Cb 0.03 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.53 2k5r h GLN 82 CO 0.00 0.52 1.20 0.42 0.09 0.00 0.00 178.83 181.06 2k5r s ILE 83 N -2.86 3.56 0.29 1.86 -1.09 -0.36 -4.85 121.20 117.76 2k5r s ILE 83 Ca 0.00 0.33 0.02 0.00 -2.23 0.00 0.00 60.65 58.77 2k5r s ILE 83 Cb 0.08 -4.45 0.09 0.00 -1.58 0.00 0.00 42.46 36.61 2k5r s ILE 83 CO 0.79 -1.39 1.76 0.00 -1.23 0.00 0.00 174.94 174.87 2k5r h ALA 84 N 12.32 1.16 0.00 9.38 0.00 -1.86 -2.75 119.26 137.51 2k5r h ALA 84 Ca -0.27 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2k5r h ALA 84 Cb 1.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2k5r h ALA 84 CO 1.25 0.53 0.00 -0.91 0.00 0.00 0.00 179.25 180.12 2k5r h ASN 85 N 0.48 0.00 -3.77 0.00 4.21 -1.88 -3.45 115.58 111.16 2k5r h ASN 85 Ca 0.08 0.00 -0.54 0.00 1.21 0.00 0.00 56.30 57.06 2k5r h ASN 85 Cb 0.57 0.00 0.10 0.00 -1.12 0.00 0.00 38.32 37.87 2k5r h ASN 85 CO 0.04 0.00 0.81 0.12 -1.29 0.00 0.00 177.43 177.11 2k5r s PHE 86 N -3.33 2.62 1.13 1.19 5.36 -1.04 -4.68 117.98 119.23 2k5r s PHE 86 Ca 0.05 1.06 -0.14 0.00 -0.96 0.00 0.00 56.93 56.93 2k5r s PHE 86 Cb 0.09 -4.04 0.23 0.00 -0.34 0.00 0.00 43.02 38.96 2k5r s PHE 86 CO 0.43 -3.18 0.80 -0.35 -1.46 0.00 0.00 175.22 171.45 2k5r n PRO 87 N 0.93 -1.99 -2.10 10.12 -0.04 -1.26 -4.98 135.00 135.67 2k5r n PRO 87 Ca 0.03 -0.55 -0.34 0.00 -0.04 0.00 0.00 63.50 62.60 2k5r n PRO 87 Cb 0.39 -2.08 0.01 0.00 -0.04 0.00 0.00 33.50 31.78 2k5r n PRO 87 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2k5r s ASP 88 N -2.30 5.56 -0.09 3.54 -4.77 -1.26 -5.06 116.67 112.30 2k5r s ASP 88 Ca 0.65 2.08 0.02 0.00 -3.30 0.00 0.00 52.55 52.00 2k5r s ASP 88 Cb -0.22 -2.57 0.01 0.00 -1.09 0.00 0.00 42.92 39.05 2k5r s ASP 88 CO 0.65 -1.32 -0.14 -1.59 0.70 0.00 0.00 175.17 173.47 2k5r s LYS 89 N -3.60 2.00 0.61 2.11 0.00 -1.26 -5.14 119.74 114.46 2k5r s LYS 89 Ca 0.70 -0.50 0.09 0.00 0.00 0.00 0.00 55.97 56.26 2k5r s LYS 89 Cb -0.22 -1.68 0.10 0.00 0.00 0.00 0.00 37.83 36.03 2k5r s LYS 89 CO 0.32 -0.02 0.84 -0.51 0.00 0.00 0.00 175.35 175.98 2k5r s LEU 90 N 0.85 3.03 -0.10 2.77 1.02 -1.26 -5.04 118.68 119.94 2k5r s LEU 90 Ca -0.10 -0.85 -0.29 0.00 0.02 0.00 0.00 54.13 52.90 2k5r s LEU 90 Cb -0.15 -1.54 -0.05 0.00 0.02 0.00 0.00 46.19 44.47 2k5r s LEU 90 CO 0.01 -1.47 1.69 -1.61 0.02 0.00 0.00 176.35 174.99 2k5r s GLU 91 N -4.76 4.02 -0.22 1.70 2.02 -1.26 -4.90 118.70 115.30 2k5r s GLU 91 Ca 0.63 2.07 0.14 0.00 0.02 0.00 0.00 54.97 57.83 2k5r s GLU 91 Cb -0.05 -4.03 0.50 0.00 0.10 0.00 0.00 34.13 30.64 2k5r s GLU 91 CO 0.40 -1.04 1.41 1.58 0.02 0.00 0.00 175.26 177.63 2k5r n HIS 92 N 7.76 0.91 -1.93 1.61 -0.00 -1.26 -5.01 115.22 117.29 2k5r n HIS 92 Ca 0.19 -1.19 -0.42 0.00 0.46 0.00 0.00 57.72 56.75 2k5r n HIS 92 Cb 0.43 -0.37 -0.03 0.00 -0.12 0.00 0.00 29.99 29.90 2k5r n HIS 92 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2k5r s HIS 93 N -3.01 2.10 0.02 1.57 -3.43 -1.26 -4.49 115.29 106.79 2k5r s HIS 93 Ca 0.42 0.18 0.01 0.00 -0.80 0.00 0.00 55.06 54.87 2k5r s HIS 93 Cb 0.36 -3.97 -0.04 0.00 -1.43 0.00 0.00 32.58 27.50 2k5r s HIS 93 CO 0.04 -4.04 0.05 -3.38 -2.00 0.00 0.00 174.74 165.41 2k5r s HIS 94 N 3.43 3.18 0.22 0.38 -3.43 -1.26 -5.05 115.29 112.77 2k5r s HIS 94 Ca 0.75 0.13 -0.31 0.00 -0.80 0.00 0.00 55.06 54.83 2k5r s HIS 94 Cb -0.37 -1.68 -0.11 0.00 -1.43 0.00 0.00 32.58 28.99 2k5r s HIS 94 CO 0.32 0.51 1.63 -1.58 -2.00 0.00 0.00 174.74 173.62 2k5r s HIS 95 N -1.21 2.91 0.41 0.38 2.46 -1.26 -5.03 115.29 113.95 2k5r s HIS 95 Ca 0.23 0.58 0.08 0.00 0.47 0.00 0.00 55.06 56.43 2k5r s HIS 95 Cb -0.12 -4.04 -0.01 0.00 -0.13 0.00 0.00 32.58 28.28 2k5r s HIS 95 CO 0.15 -3.78 0.47 -3.38 -2.47 0.00 0.00 174.74 165.73 2k5r s HIS 96 N 0.76 2.78 -1.55 3.88 -3.43 -1.26 -5.25 115.29 111.22 2k5r s HIS 96 Ca 0.69 -0.43 0.00 0.00 -0.80 0.00 0.00 55.06 54.52 2k5r s HIS 96 Cb -0.47 -2.25 0.00 0.00 -1.43 0.00 0.00 32.58 28.43 2k5r s HIS 96 CO 0.37 -0.25 0.39 -2.39 -2.00 0.00 0.00 174.74 170.86