#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5r n ASP 2 N 0.00 -5.16 0.30 7.83 8.00 -1.26 -4.84 116.55 121.43 2k5r n ASP 2 Ca 0.00 0.28 0.18 0.00 0.71 0.00 0.00 54.79 55.96 2k5r n ASP 2 Cb 0.00 -4.47 1.01 0.00 -0.02 0.00 0.00 41.12 37.64 2k5r n ASP 2 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 2k5r h ARG 3 N 0.00 0.00 -0.03 -1.24 -0.00 -2.07 0.21 114.38 111.24 2k5r h ARG 3 Ca -0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.56 2k5r h ARG 3 Cb 1.27 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.24 2k5r h ARG 3 CO 0.55 0.00 -0.01 0.87 -0.00 0.00 0.00 179.97 181.38 2k5r h LYS 4 N 0.00 0.06 -0.14 0.08 1.79 -2.01 -3.25 116.57 113.10 2k5r h LYS 4 Ca 0.01 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 2k5r h LYS 4 Cb 0.06 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 2k5r h LYS 4 CO -0.00 0.40 -0.01 -0.07 -1.08 0.00 0.00 179.45 178.69 2k5r h LEU 5 N -0.28 0.18 -2.33 2.94 -0.00 -1.37 -0.81 115.31 113.64 2k5r h LEU 5 Ca 0.01 -0.02 0.02 0.00 -0.00 0.00 0.00 57.88 57.89 2k5r h LEU 5 Cb 0.38 -0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 40.99 2k5r h LEU 5 CO 0.00 0.23 0.06 -0.07 -0.00 0.00 0.00 178.44 178.67 2k5r h LEU 6 N 0.20 0.00 0.00 1.67 3.38 -1.36 0.49 115.31 119.69 2k5r h LEU 6 Ca 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2k5r h LEU 6 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2k5r h LEU 6 CO 0.00 0.00 -1.75 1.57 0.09 0.00 0.00 178.44 178.35 2k5r n HIS 7 N -3.95 0.40 0.19 1.13 -0.00 -0.38 -4.24 115.22 108.37 2k5r n HIS 7 Ca -0.02 0.13 0.12 0.00 0.46 0.00 0.00 57.72 58.41 2k5r n HIS 7 Cb 0.16 -0.81 0.08 0.00 -0.12 0.00 0.00 29.99 29.30 2k5r n HIS 7 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 2k5r h LEU 8 N 0.00 0.00 -8.65 0.27 3.38 -0.50 -3.44 115.31 106.37 2k5r h LEU 8 Ca -0.14 -0.02 -0.55 0.00 0.09 0.00 0.00 57.88 57.26 2k5r h LEU 8 Cb 1.36 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.05 2k5r h LEU 8 CO 0.02 0.01 1.08 -0.22 0.09 0.00 0.00 178.44 179.41 2k5r s LEU 9 N -5.52 3.47 0.09 1.67 0.20 0.16 -4.99 118.68 113.75 2k5r s LEU 9 Ca 0.03 0.43 -0.30 0.00 0.69 0.00 0.00 54.13 54.98 2k5r s LEU 9 Cb 0.08 -3.21 -0.05 0.00 -0.43 0.00 0.00 46.19 42.58 2k5r s LEU 9 CO 0.74 -1.61 0.98 0.00 -0.29 0.00 0.00 176.35 176.17 2k5r s SER 11 N 0.23 6.39 -0.68 0.00 1.04 -1.26 -5.02 113.70 114.40 2k5r s SER 11 Ca 0.48 0.35 -0.26 0.00 0.48 0.00 0.00 55.95 57.01 2k5r s SER 11 Cb -0.23 -2.00 -0.08 0.00 0.10 0.00 0.00 66.02 63.81 2k5r s SER 11 CO 0.30 0.18 2.24 -2.84 0.98 0.00 0.00 173.24 174.10 2k5r s PRO 12 N -2.33 2.09 0.22 4.02 0.02 -1.26 -4.82 135.00 132.94 2k5r s PRO 12 Ca 0.33 0.69 0.15 0.00 0.02 0.00 0.00 61.00 62.19 2k5r s PRO 12 Cb -0.13 -4.70 0.81 0.00 0.02 0.00 0.00 34.50 30.50 2k5r s PRO 12 CO 0.24 -3.60 1.46 -0.40 -0.33 0.00 0.00 177.00 174.37 2k5r n ASP 13 N 16.01 0.39 -0.46 2.53 5.75 -1.26 -0.64 116.55 138.88 2k5r n ASP 13 Ca 0.38 0.68 0.07 0.00 -0.01 0.00 0.00 54.79 55.91 2k5r n ASP 13 Cb 0.49 -0.73 0.16 0.00 -1.03 0.00 0.00 41.12 40.01 2k5r n ASP 13 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2k5r n THR 14 N -2.02 1.68 -3.16 2.12 -2.24 -1.26 -4.76 114.28 104.65 2k5r n THR 14 Ca -0.01 -1.65 -0.19 0.00 -2.27 0.00 0.00 64.05 59.93 2k5r n THR 14 Cb 0.03 0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.27 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 -0.55 1.26 -4.22 -0.78 0.63 0.19 -5.01 116.66 108.19 2k5r n ARG 15 Ca 0.14 -3.57 -0.29 0.00 -0.92 0.00 0.00 57.85 53.21 2k5r n ARG 15 Cb 0.61 -1.76 -0.09 0.00 0.45 0.00 0.00 32.46 31.67 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 -2.51 2.17 -0.40 -0.14 1.11 -1.26 -4.83 119.66 113.80 2k5r s GLN 16 Ca 0.41 -1.04 -0.32 0.00 0.01 0.00 0.00 55.36 54.42 2k5r s GLN 16 Cb 0.33 -2.31 -0.10 0.00 -1.01 0.00 0.00 33.01 29.91 2k5r s GLN 16 CO -0.09 0.50 2.28 -2.30 0.01 0.00 0.00 175.29 175.69 2k5r n PRO 17 N 0.56 1.13 -4.53 2.91 -0.02 -1.26 -4.94 135.00 128.84 2k5r n PRO 17 Ca -0.13 0.26 -0.32 0.00 -2.02 0.00 0.00 63.50 61.29 2k5r n PRO 17 Cb 0.53 -2.67 -0.11 0.00 -0.02 0.00 0.00 33.50 31.23 2k5r n PRO 17 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2k5r s LEU 18 N 8.41 3.07 0.07 2.45 1.98 -1.26 -3.28 118.68 130.13 2k5r s LEU 18 Ca 1.09 -0.17 -0.04 0.00 -2.89 0.00 0.00 54.13 52.12 2k5r s LEU 18 Cb -0.70 -1.75 -0.02 0.00 0.66 0.00 0.00 46.19 44.38 2k5r s LEU 18 CO 0.43 0.29 0.07 -0.55 -1.89 0.00 0.00 176.35 174.70 2k5r s SER 19 N -1.30 0.32 0.17 3.68 0.15 -0.84 -5.01 113.70 110.87 2k5r s SER 19 Ca 0.16 -0.86 -0.30 0.00 0.70 0.00 0.00 55.95 55.64 2k5r s SER 19 Cb -0.11 0.27 -0.08 0.00 -1.71 0.00 0.00 66.02 64.38 2k5r s SER 19 CO 0.06 -0.66 1.34 -0.22 1.20 0.00 0.00 173.24 174.96 2k5r s LEU 20 N -2.90 4.40 0.02 3.45 1.98 -1.26 -0.40 118.68 123.97 2k5r s LEU 20 Ca 0.07 2.38 -0.30 0.00 -2.89 0.00 0.00 54.13 53.39 2k5r s LEU 20 Cb 0.07 -3.60 -0.07 0.00 0.66 0.00 0.00 46.19 43.24 2k5r s LEU 20 CO -0.10 -0.58 1.71 -0.22 -1.89 0.00 0.00 176.35 175.28 2k5r s LEU 21 N 0.32 4.36 0.63 -0.68 2.96 -0.11 -4.72 118.68 121.45 2k5r s LEU 21 Ca 0.60 2.44 -0.18 0.00 -0.22 0.00 0.00 54.13 56.77 2k5r s LEU 21 Cb -0.37 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.74 2k5r s LEU 21 CO 0.35 -0.93 0.91 -1.84 -1.32 0.00 0.00 176.35 173.52 2k5r n GLU 22 N 6.48 0.74 -0.21 1.98 0.28 -1.26 -4.63 120.64 124.02 2k5r n GLU 22 Ca 0.17 0.30 -0.01 0.00 -0.16 0.00 0.00 57.16 57.46 2k5r n GLU 22 Cb 0.41 -2.13 0.10 0.00 1.43 0.00 0.00 31.44 31.25 2k5r n GLU 22 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2k5r h SER 23 N 0.25 0.40 -0.98 -1.84 4.64 -1.99 0.25 113.55 114.29 2k5r h SER 23 Ca -0.48 0.05 0.04 0.00 -0.47 0.00 0.00 61.79 60.93 2k5r h SER 23 Cb 1.36 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 63.37 2k5r h SER 23 CO 0.49 0.25 0.64 0.11 -0.87 0.00 0.00 176.83 177.46 2k5r h LYS 24 N 0.55 1.18 -0.07 4.77 6.56 -2.02 -2.37 116.57 125.17 2k5r h LYS 24 Ca 0.29 -0.07 -0.22 0.00 -1.06 0.00 0.00 60.65 59.59 2k5r h LYS 24 Cb 0.26 -0.27 0.01 0.00 -0.57 0.00 0.00 32.23 31.67 2k5r h LYS 24 CO -0.23 0.78 -0.84 0.78 -2.06 0.00 0.00 179.45 177.89 2k5r h GLY 25 N 1.21 0.76 0.31 3.86 0.00 -1.68 -3.32 103.07 104.21 2k5r h GLY 25 Ca 0.40 -1.20 0.11 0.00 0.00 0.00 0.00 47.33 46.63 2k5r h GLY 25 CO -0.13 1.07 0.23 -2.00 0.00 0.00 0.00 176.54 175.70 2k5r h LEU 26 N 0.36 0.20 -1.29 3.11 5.85 -0.05 0.04 115.31 123.54 2k5r h LEU 26 Ca -0.09 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 2k5r h LEU 26 Cb 1.49 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.57 2k5r h LEU 26 CO 0.17 0.11 0.19 1.05 -0.34 0.00 0.00 178.44 179.62 2k5r h GLU 27 N 0.39 0.68 -0.74 1.25 4.11 -1.58 -2.14 114.58 116.54 2k5r h GLU 27 Ca 0.33 -0.09 -0.04 0.00 0.07 0.00 0.00 59.36 59.62 2k5r h GLU 27 Cb 0.44 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2k5r h GLU 27 CO -0.34 0.56 0.30 0.00 0.07 0.00 0.00 179.01 179.60 2k5r h ALA 28 N 1.54 0.97 -0.01 1.06 0.00 -1.10 0.12 119.26 121.84 2k5r h ALA 28 Ca 0.16 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k5r h ALA 28 Cb 0.14 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2k5r h ALA 28 CO -0.02 0.59 0.00 -0.07 0.00 0.00 0.00 179.25 179.76 2k5r h LEU 29 N 1.07 0.02 -1.36 0.00 -0.00 -1.05 -1.71 115.31 112.28 2k5r h LEU 29 Ca 0.25 -0.18 0.03 0.00 -0.00 0.00 0.00 57.88 57.98 2k5r h LEU 29 Cb 0.22 -0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.83 2k5r h LEU 29 CO -0.02 0.19 0.46 0.78 -0.00 0.00 0.00 178.44 179.85 2k5r h ASN 30 N -0.16 0.72 -0.26 -0.43 2.35 -1.15 0.10 115.58 116.76 2k5r h ASN 30 Ca 0.00 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2k5r h ASN 30 Cb 0.18 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2k5r h ASN 30 CO -0.00 0.50 0.14 0.11 -1.65 0.00 0.00 177.43 176.53 2k5r h LYS 31 N 0.84 0.36 -0.04 0.81 1.57 -0.84 -1.62 116.57 117.65 2k5r h LYS 31 Ca 0.27 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 2k5r h LYS 31 Cb 0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2k5r h LYS 31 CO -0.08 0.33 -0.14 0.00 -0.57 0.00 0.00 179.45 178.99 2k5r h ALA 32 N 1.02 1.69 0.24 3.86 0.00 -0.38 0.11 119.26 125.79 2k5r h ALA 32 Ca 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2k5r h ALA 32 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2k5r h ALA 32 CO -0.01 0.23 -0.11 0.82 0.00 0.00 0.00 179.25 180.17 2k5r h ILE 33 N 0.06 0.80 0.00 0.00 2.04 -0.43 -1.29 117.51 118.69 2k5r h ILE 33 Ca 0.01 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 2k5r h ILE 33 Cb 0.29 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2k5r h ILE 33 CO 0.02 0.04 -0.19 0.58 0.00 0.00 0.00 178.15 178.60 2k5r h VAL 34 N -0.42 1.09 0.00 1.67 2.07 -0.91 -1.50 116.25 118.25 2k5r h VAL 34 Ca -0.03 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2k5r h VAL 34 Cb 0.32 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2k5r h VAL 34 CO 0.05 0.19 0.00 -0.24 0.02 0.00 0.00 177.57 177.59 2k5r n SER 35 N -4.24 0.35 -3.03 0.57 2.88 0.33 -4.94 113.62 105.55 2k5r n SER 35 Ca -0.02 0.56 -0.15 0.00 -1.33 0.00 0.00 58.87 57.92 2k5r n SER 35 Cb 0.26 -0.64 0.07 0.00 -0.75 0.00 0.00 64.21 63.15 2k5r n SER 35 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k5r n GLY 36 N 0.72 -0.24 0.00 0.46 0.00 -0.54 -4.94 105.19 100.65 2k5r n GLY 36 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.83 0.31 -2.81 2.61 5.66 -0.87 -5.01 114.28 110.33 2k5r n THR 37 Ca -0.18 -0.37 -0.43 0.00 -3.05 0.00 0.00 64.05 60.03 2k5r n THR 37 Cb 0.62 1.01 -0.04 0.00 -1.55 0.00 0.00 70.33 70.37 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 -0.31 4.23 -0.11 1.08 1.01 -1.25 -4.53 120.40 120.53 2k5r s VAL 38 Ca 0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 2k5r s VAL 38 Cb 0.00 -4.71 -0.05 0.00 0.00 0.00 0.00 36.38 31.62 2k5r s VAL 38 CO 0.00 -1.50 0.28 -1.10 0.00 0.00 0.00 175.10 172.78 2k5r s GLN 39 N 4.32 3.94 0.46 2.72 -0.21 -1.26 -0.92 119.66 128.69 2k5r s GLN 39 Ca 0.25 0.11 0.07 0.00 0.02 0.00 0.00 55.36 55.81 2k5r s GLN 39 Cb -0.15 -3.30 0.07 0.00 1.00 0.00 0.00 33.01 30.63 2k5r s GLN 39 CO 0.11 0.52 0.60 2.89 -2.12 0.00 0.00 175.29 177.29 2k5r n ARG 40 N 2.64 0.71 -0.30 2.91 1.85 -0.71 -3.83 116.66 119.93 2k5r n ARG 40 Ca -0.15 -2.50 0.14 0.00 -1.00 0.00 0.00 57.85 54.35 2k5r n ARG 40 Cb 0.53 -0.14 0.39 0.00 -1.05 0.00 0.00 32.46 32.19 2k5r n ARG 40 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2k5r h ALA 41 N 0.25 1.88 0.00 2.89 0.00 -1.71 0.17 119.26 122.74 2k5r h ALA 41 Ca -0.22 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2k5r h ALA 41 Cb 0.99 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2k5r h ALA 41 CO 0.32 -0.19 0.00 -0.25 0.00 0.00 0.00 179.25 179.13 2k5r n ASP 42 N -4.62 0.46 0.00 0.00 9.92 -1.26 -4.83 116.55 116.21 2k5r n ASP 42 Ca 0.21 0.66 0.00 0.00 -0.53 0.00 0.00 54.79 55.12 2k5r n ASP 42 Cb 0.58 -0.74 0.00 0.00 -0.64 0.00 0.00 41.12 40.33 2k5r n ASP 42 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k5r n GLY 43 N -0.64 0.93 3.86 0.44 0.00 0.60 -5.04 105.19 105.34 2k5r n GLY 43 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2k5r n GLY 43 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k5r s SER 44 N -2.96 6.64 -0.10 1.61 0.15 -1.26 -4.75 113.70 113.03 2k5r s SER 44 Ca 0.00 1.27 -0.19 0.00 0.70 0.00 0.00 55.95 57.73 2k5r s SER 44 Cb 0.00 -2.38 -0.04 0.00 -1.71 0.00 0.00 66.02 61.89 2k5r s SER 44 CO 0.00 -0.36 0.52 -0.63 1.20 0.00 0.00 173.24 173.97 2k5r s ILE 45 N -2.27 5.15 -0.65 6.45 -1.09 -1.26 -1.73 121.20 125.80 2k5r s ILE 45 Ca 0.54 1.05 -0.24 0.00 -2.23 0.00 0.00 60.65 59.77 2k5r s ILE 45 Cb -0.10 -3.86 0.06 0.00 -1.58 0.00 0.00 42.46 36.98 2k5r s ILE 45 CO 0.26 0.32 1.01 -1.58 -1.23 0.00 0.00 174.94 173.72 2k5r s GLN 46 N 0.61 3.16 0.00 2.79 0.74 -0.10 -4.85 119.66 122.02 2k5r s GLN 46 Ca 0.28 -0.63 0.22 0.00 0.05 0.00 0.00 55.36 55.28 2k5r s GLN 46 Cb -0.16 -4.19 0.65 0.00 1.10 0.00 0.00 33.01 30.42 2k5r s GLN 46 CO 0.12 -1.81 1.50 0.09 -0.55 0.00 0.00 175.29 174.64 2k5r n ASN 47 N 7.94 2.19 -4.60 6.67 3.02 -1.26 -4.61 115.26 124.61 2k5r n ASN 47 Ca -0.02 -1.79 -0.40 0.00 -0.03 0.00 0.00 54.58 52.35 2k5r n ASN 47 Cb 0.46 -0.13 -0.09 0.00 -0.61 0.00 0.00 39.78 39.42 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 -1.74 3.96 0.39 3.52 -0.21 -1.26 -4.85 119.66 119.46 2k5r s GLN 48 Ca 0.34 0.04 -0.25 0.00 0.02 0.00 0.00 55.36 55.50 2k5r s GLN 48 Cb 0.19 -3.68 -0.09 0.00 1.00 0.00 0.00 33.01 30.44 2k5r s GLN 48 CO 0.28 -0.34 1.18 -1.54 -2.12 0.00 0.00 175.29 172.75 2k5r s SER 49 N 1.64 6.54 0.10 5.90 1.04 -1.26 -5.03 113.70 122.63 2k5r s SER 49 Ca 0.16 2.38 0.04 0.00 0.48 0.00 0.00 55.95 59.01 2k5r s SER 49 Cb -0.16 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.31 2k5r s SER 49 CO 0.10 -0.67 -0.11 -1.48 0.98 0.00 0.00 173.24 172.06 2k5r s LEU 50 N -2.44 2.39 -0.13 2.42 0.05 -1.26 -5.05 118.68 114.67 2k5r s LEU 50 Ca 0.56 -0.80 0.18 0.00 0.05 0.00 0.00 54.13 54.13 2k5r s LEU 50 Cb -0.31 -0.38 -0.26 0.00 -2.05 0.00 0.00 46.19 43.19 2k5r s LEU 50 CO 0.40 -0.22 0.25 1.41 -0.55 0.00 0.00 176.35 177.64 2k5r n HIS 51 N 0.61 0.13 -4.60 3.48 8.25 -1.26 -4.93 115.22 116.90 2k5r n HIS 51 Ca -0.16 0.05 -0.33 0.00 -0.26 0.00 0.00 57.72 57.01 2k5r n HIS 51 Cb 0.57 -0.91 -0.15 0.00 1.12 0.00 0.00 29.99 30.63 2k5r n HIS 51 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2k5r s GLU 52 N -2.75 3.29 0.03 -0.41 8.01 -1.26 -5.10 118.70 120.51 2k5r s GLU 52 Ca -0.09 -0.72 -0.07 0.00 0.01 0.00 0.00 54.97 54.11 2k5r s GLU 52 Cb 0.08 -2.65 -0.00 0.00 -4.31 0.00 0.00 34.13 27.25 2k5r s GLU 52 CO 0.85 0.08 0.13 0.00 0.01 0.00 0.00 175.26 176.33 2k5r s ALA 53 N 0.67 -0.20 -0.02 5.21 0.00 -1.26 -3.74 121.76 122.42 2k5r s ALA 53 Ca -0.07 -0.38 0.07 0.00 0.00 0.00 0.00 51.96 51.58 2k5r s ALA 53 Cb -0.16 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 2k5r s ALA 53 CO 0.02 -0.31 -0.23 -0.51 0.00 0.00 0.00 175.76 174.73 2k5r s LEU 54 N -1.95 2.23 -0.02 0.00 1.43 0.61 -0.94 118.68 120.05 2k5r s LEU 54 Ca -0.07 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 52.65 2k5r s LEU 54 Cb -0.03 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.80 2k5r s LEU 54 CO -0.03 0.31 -0.16 -0.51 0.23 0.00 0.00 176.35 176.19 2k5r s ILE 55 N -0.67 1.29 0.52 -0.59 1.10 0.47 -0.87 121.20 122.45 2k5r s ILE 55 Ca 0.11 -0.69 -0.17 0.00 -0.51 0.00 0.00 60.65 59.38 2k5r s ILE 55 Cb -0.10 -1.08 -0.07 0.00 0.15 0.00 0.00 42.46 41.36 2k5r s ILE 55 CO -0.00 0.37 1.00 0.42 -2.11 0.00 0.00 174.94 174.62 2k5r s THR 56 N -0.33 4.28 -0.55 4.00 -4.23 -0.88 -1.99 115.64 115.95 2k5r s THR 56 Ca 0.05 1.15 0.20 0.00 -1.18 0.00 0.00 61.69 61.91 2k5r s THR 56 Cb -0.07 -3.60 0.21 0.00 1.34 0.00 0.00 72.50 70.38 2k5r s THR 56 CO -0.00 -0.57 1.62 -2.11 -0.54 0.00 0.00 174.62 173.02 2k5r n ARG 57 N -1.55 0.14 0.00 3.99 0.00 -1.20 -1.07 116.66 116.96 2k5r n ARG 57 Ca 0.07 0.43 0.12 0.00 -0.00 0.00 0.00 57.85 58.48 2k5r n ARG 57 Cb 0.54 -1.80 0.26 0.00 -0.00 0.00 0.00 32.46 31.45 2k5r n ARG 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2k5r n ASP 58 N -2.08 0.53 -0.68 2.89 9.92 -1.26 -4.95 116.55 120.91 2k5r n ASP 58 Ca 0.02 -0.29 -0.09 0.00 -0.53 0.00 0.00 54.79 53.90 2k5r n ASP 58 Cb 0.17 0.24 -0.04 0.00 -0.64 0.00 0.00 41.12 40.85 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 -1.44 -1.35 -0.05 -1.24 5.12 -0.23 -4.87 116.66 112.59 2k5r n ARG 59 Ca 0.06 0.77 -0.19 0.00 -1.93 0.00 0.00 57.85 56.56 2k5r n ARG 59 Cb 0.34 -4.96 -0.13 0.00 -1.16 0.00 0.00 32.46 26.54 2k5r n ARG 59 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2k5r n LYS 60 N -1.29 0.71 -4.71 5.56 2.85 -1.26 -4.70 118.16 115.31 2k5r n LYS 60 Ca -0.09 0.21 -0.33 0.00 -1.05 0.00 0.00 58.31 57.05 2k5r n LYS 60 Cb 0.48 -1.63 -0.12 0.00 -0.65 0.00 0.00 35.03 33.10 2k5r n LYS 60 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 2k5r s GLN 61 N -2.54 2.55 -0.03 -1.58 -0.21 -1.26 -1.48 119.66 115.11 2k5r s GLN 61 Ca -0.25 -0.68 0.06 0.00 0.02 0.00 0.00 55.36 54.51 2k5r s GLN 61 Cb 0.08 -2.45 -0.01 0.00 1.00 0.00 0.00 33.01 31.62 2k5r s GLN 61 CO 0.71 0.63 -0.22 0.08 -2.12 0.00 0.00 175.29 174.36 2k5r s VAL 62 N -0.82 1.78 -0.04 1.09 1.01 -0.05 -2.07 120.40 121.29 2k5r s VAL 62 Ca 0.13 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.21 2k5r s VAL 62 Cb -0.11 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 2k5r s VAL 62 CO 0.02 0.50 -0.18 -0.36 0.00 0.00 0.00 175.10 175.09 2k5r s PHE 63 N -0.39 2.59 -0.06 5.22 0.08 -0.05 0.02 117.98 125.38 2k5r s PHE 63 Ca 0.05 -0.28 -0.17 0.00 0.12 0.00 0.00 56.93 56.66 2k5r s PHE 63 Cb -0.10 -1.60 -0.05 0.00 -0.57 0.00 0.00 43.02 40.71 2k5r s PHE 63 CO 0.00 0.09 0.45 0.50 -0.10 0.00 0.00 175.22 176.17 2k5r s ARG 64 N -0.64 4.18 0.04 0.44 3.52 -1.18 -0.29 118.95 125.01 2k5r s ARG 64 Ca 0.10 0.44 -0.18 0.00 -0.13 0.00 0.00 55.73 55.96 2k5r s ARG 64 Cb -0.11 -3.34 -0.06 0.00 -1.56 0.00 0.00 34.95 29.88 2k5r s ARG 64 CO 0.00 0.39 0.52 0.42 -0.81 0.00 0.00 175.30 175.82 2k5r s ILE 65 N -0.14 4.86 -0.01 4.11 1.01 -1.25 -3.42 121.20 126.37 2k5r s ILE 65 Ca 0.25 1.09 -0.00 0.00 0.00 0.00 0.00 60.65 61.99 2k5r s ILE 65 Cb -0.16 -3.84 0.01 0.00 0.01 0.00 0.00 42.46 38.48 2k5r s ILE 65 CO 0.12 0.54 0.01 -0.70 0.00 0.00 0.00 174.94 174.91 2k5r s GLU 66 N -0.93 -0.01 -1.71 2.79 2.56 -0.78 -4.81 118.70 115.81 2k5r s GLU 66 Ca 0.27 0.06 0.00 0.00 0.00 0.00 0.00 54.97 55.30 2k5r s GLU 66 Cb -0.18 -0.06 0.00 0.00 2.00 0.00 0.00 34.13 35.88 2k5r s GLU 66 CO 0.17 -0.05 0.00 -3.47 -0.56 0.00 0.00 175.26 171.35 2k5r n ASP 67 N 3.37 -5.64 -0.48 -1.70 2.03 -1.26 -0.73 116.55 112.14 2k5r n ASP 67 Ca -0.16 0.03 -0.06 0.00 0.52 0.00 0.00 54.79 55.12 2k5r n ASP 67 Cb 0.57 -4.72 -0.03 0.00 -0.72 0.00 0.00 41.12 36.23 2k5r n ASP 67 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2k5r n SER 68 N -1.95 -4.96 -4.55 1.67 2.88 -1.26 -5.00 113.62 100.45 2k5r n SER 68 Ca -0.23 0.16 -0.36 0.00 -1.33 0.00 0.00 58.87 57.10 2k5r n SER 68 Cb 0.68 -3.01 -0.11 0.00 -0.75 0.00 0.00 64.21 61.02 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 -1.83 4.75 -0.83 2.46 -1.09 0.09 -5.03 121.20 119.72 2k5r s ILE 69 Ca 0.00 -0.03 -0.25 0.00 -2.23 0.00 0.00 60.65 58.14 2k5r s ILE 69 Cb 0.00 -3.20 -0.09 0.00 -1.58 0.00 0.00 42.46 37.58 2k5r s ILE 69 CO 0.00 0.36 2.19 -2.16 -1.23 0.00 0.00 174.94 174.11 2k5r s PRO 70 N 1.18 2.05 -0.97 2.79 0.04 -1.26 -1.87 135.00 136.96 2k5r s PRO 70 Ca 0.05 0.17 -0.24 0.00 0.04 0.00 0.00 61.00 61.03 2k5r s PRO 70 Cb -0.14 -4.89 0.00 0.00 0.04 0.00 0.00 34.50 29.51 2k5r s PRO 70 CO 0.04 -3.92 1.68 0.08 0.04 0.00 0.00 177.00 174.93 2k5r s VAL 71 N 12.54 3.70 -1.43 -0.36 1.01 -1.22 -4.88 120.40 129.77 2k5r s VAL 71 Ca 0.82 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 2k5r s VAL 71 Cb -0.10 -4.58 0.06 0.00 0.00 0.00 0.00 36.38 31.76 2k5r s VAL 71 CO 0.05 -1.48 2.32 0.18 0.00 0.00 0.00 175.10 176.16 2k5r n LEU 72 N 11.25 7.39 -4.19 3.92 4.77 -1.26 -4.31 117.00 134.57 2k5r n LEU 72 Ca 0.37 -4.43 -0.25 0.00 -0.03 0.00 0.00 56.01 51.66 2k5r n LEU 72 Cb 0.49 -1.55 -0.15 0.00 -2.33 0.00 0.00 43.42 39.88 2k5r n LEU 72 CO 0.63 1.53 -0.51 -0.76 -1.33 0.00 0.00 177.39 176.95 2k5r s LEU 73 N 0.52 2.05 0.51 2.23 1.43 -1.26 -4.74 118.68 119.42 2k5r s LEU 73 Ca 0.51 -0.35 0.21 0.00 -1.03 0.00 0.00 54.13 53.47 2k5r s LEU 73 Cb 0.14 -0.94 1.30 0.00 0.03 0.00 0.00 46.19 46.72 2k5r s LEU 73 CO -0.06 0.22 2.02 1.55 0.23 0.00 0.00 176.35 180.31 2k5r h PRO 74 N 5.61 0.08 -0.07 1.29 0.13 -1.91 -0.38 132.00 136.74 2k5r h PRO 74 Ca -0.38 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.72 2k5r h PRO 74 Cb 1.15 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2k5r h PRO 74 CO 0.48 0.05 -0.09 1.05 -0.23 0.00 0.00 178.00 179.25 2k5r h GLU 75 N 0.08 0.10 -0.40 0.86 4.11 -1.97 -2.01 114.58 115.36 2k5r h GLU 75 Ca 0.21 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.62 2k5r h GLU 75 Cb 0.73 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2k5r h GLU 75 CO -0.02 0.21 0.00 0.39 0.07 0.00 0.00 179.01 179.66 2k5r n GLU 76 N -4.37 2.27 -2.74 1.06 -0.58 -0.17 -4.11 120.64 112.01 2k5r n GLU 76 Ca -0.02 -1.94 -0.43 0.00 -0.42 0.00 0.00 57.16 54.35 2k5r n GLU 76 Cb 0.20 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.58 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 -1.48 3.39 -0.08 0.62 0.00 -0.76 -3.10 121.76 120.35 2k5r s ALA 77 Ca 0.37 -0.37 -0.17 0.00 0.00 0.00 0.00 51.96 51.79 2k5r s ALA 77 Cb 0.21 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 2k5r s ALA 77 CO 0.29 -1.67 0.45 0.42 0.00 0.00 0.00 175.76 175.25 2k5r s ILE 78 N 3.65 5.13 -0.32 0.00 -1.09 0.10 -3.48 121.20 125.19 2k5r s ILE 78 Ca 0.41 0.92 -0.22 0.00 -2.23 0.00 0.00 60.65 59.53 2k5r s ILE 78 Cb -0.11 -3.79 -0.00 0.00 -1.58 0.00 0.00 42.46 36.98 2k5r s ILE 78 CO 0.20 0.40 0.72 0.00 -1.23 0.00 0.00 174.94 175.04 2k5r s ALA 79 N 0.11 3.50 0.58 9.38 0.00 -1.25 -0.87 121.76 133.21 2k5r s ALA 79 Ca 0.25 -0.58 0.43 0.00 0.00 0.00 0.00 51.96 52.06 2k5r s ALA 79 Cb -0.16 -3.24 2.25 0.00 0.00 0.00 0.00 23.12 21.98 2k5r s ALA 79 CO 0.11 -1.23 2.31 1.79 0.00 0.00 0.00 175.76 178.74 2k5r h THR 80 N 5.62 0.03 0.00 0.00 1.35 -1.54 -1.18 112.91 117.19 2k5r h THR 80 Ca -0.25 -0.09 -0.00 0.00 -0.55 0.00 0.00 66.41 65.52 2k5r h THR 80 Cb 1.10 1.08 -0.00 0.00 -1.73 0.00 0.00 68.15 68.61 2k5r h THR 80 CO 0.86 0.00 -0.02 -0.29 -0.25 0.00 0.00 175.52 175.82 2k5r h ILE 81 N 0.00 0.41 0.00 6.82 6.09 -1.91 -0.31 117.51 128.61 2k5r h ILE 81 Ca -0.00 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 2k5r h ILE 81 Cb 0.08 1.08 0.00 0.00 0.47 0.00 0.00 36.82 38.45 2k5r h ILE 81 CO 0.00 0.02 -0.01 1.56 -3.07 0.00 0.00 178.15 176.65 2k5r h GLN 82 N 0.00 0.00 -5.30 2.19 1.08 -1.52 -3.42 115.11 108.14 2k5r h GLN 82 Ca -0.00 0.00 -0.66 0.00 -1.45 0.00 0.00 58.65 56.54 2k5r h GLN 82 Cb 0.08 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 27.35 2k5r h GLN 82 CO 0.00 0.00 0.82 0.42 -0.95 0.00 0.00 178.83 179.12 2k5r s ILE 83 N -3.11 4.49 -2.00 2.54 -1.09 -0.13 -4.65 121.20 117.26 2k5r s ILE 83 Ca 0.10 -1.07 0.04 0.00 -2.23 0.00 0.00 60.65 57.50 2k5r s ILE 83 Cb 0.12 -4.78 0.12 0.00 -1.58 0.00 0.00 42.46 36.34 2k5r s ILE 83 CO 0.60 -1.55 0.69 0.00 -1.23 0.00 0.00 174.94 173.46 2k5r n ALA 84 N 7.22 1.96 -0.41 9.38 0.00 -1.26 -1.82 120.51 135.58 2k5r n ALA 84 Ca 0.16 -0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.59 2k5r n ALA 84 Cb 0.48 -1.07 0.03 0.00 0.00 0.00 0.00 19.45 18.89 2k5r n ALA 84 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k5r n ASN 85 N -0.66 1.78 -4.73 0.00 3.02 -1.26 -5.05 115.26 108.35 2k5r n ASN 85 Ca 0.03 -2.12 -0.42 0.00 -0.03 0.00 0.00 54.58 52.05 2k5r n ASN 85 Cb 0.02 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 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 3.17 -1.14 3.10 5.36 -0.76 -4.89 117.98 121.57 2k5r s PHE 86 Ca 0.07 1.03 -0.19 0.00 -0.96 0.00 0.00 56.93 56.88 2k5r s PHE 86 Cb 0.06 -3.72 -0.05 0.00 -0.34 0.00 0.00 43.02 38.97 2k5r s PHE 86 CO 0.01 -2.40 1.98 -0.35 -1.46 0.00 0.00 175.22 173.00 2k5r n PRO 87 N 3.03 2.21 -2.77 10.12 -0.04 -1.26 -4.93 135.00 141.36 2k5r n PRO 87 Ca 0.09 -2.43 -0.20 0.00 -0.04 0.00 0.00 63.50 60.91 2k5r n PRO 87 Cb 0.41 -3.28 0.04 0.00 -0.04 0.00 0.00 33.50 30.63 2k5r n PRO 87 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2k5r s ASP 88 N 4.62 5.31 1.05 3.54 1.01 -1.26 -5.10 116.67 125.84 2k5r s ASP 88 Ca 0.56 -0.21 -0.12 0.00 0.71 0.00 0.00 52.55 53.48 2k5r s ASP 88 Cb 0.10 -0.67 0.19 0.00 1.01 0.00 0.00 42.92 43.54 2k5r s ASP 88 CO 0.06 -1.09 0.89 0.29 0.21 0.00 0.00 175.17 175.52 2k5r n LYS 89 N -2.23 -1.36 -1.05 8.23 5.02 -1.26 -4.92 118.16 120.59 2k5r n LYS 89 Ca 0.09 -0.35 -0.12 0.00 -2.02 0.00 0.00 58.31 55.91 2k5r n LYS 89 Cb 0.60 -2.17 0.25 0.00 -0.02 0.00 0.00 35.03 33.69 2k5r n LYS 89 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2k5r n LEU 90 N -3.93 6.17 -0.64 -0.35 -0.00 -1.26 -3.99 117.00 112.99 2k5r n LEU 90 Ca 0.07 -3.24 0.11 0.00 -0.00 0.00 0.00 56.01 52.95 2k5r n LEU 90 Cb 0.54 -0.77 0.03 0.00 -0.00 0.00 0.00 43.42 43.22 2k5r n LEU 90 CO 0.53 0.87 0.41 -1.84 -0.00 0.00 0.00 177.39 177.35 2k5r n GLU 91 N -0.44 1.58 -2.89 1.47 -0.00 -1.26 -4.90 120.64 114.21 2k5r n GLU 91 Ca 0.45 -1.29 -0.42 0.00 -0.00 0.00 0.00 57.16 55.90 2k5r n GLU 91 Cb 1.44 -1.46 -0.04 0.00 -0.00 0.00 0.00 31.44 31.38 2k5r n GLU 91 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2k5r s HIS 92 N -2.29 3.12 -0.42 -1.84 3.76 -1.26 -5.02 115.29 111.34 2k5r s HIS 92 Ca 0.21 0.70 -0.29 0.00 -0.15 0.00 0.00 55.06 55.54 2k5r s HIS 92 Cb 0.18 -3.47 0.02 0.00 1.11 0.00 0.00 32.58 30.42 2k5r s HIS 92 CO 0.47 -0.74 1.17 -1.01 -0.85 0.00 0.00 174.74 173.79 2k5r s HIS 93 N 3.24 2.82 -0.17 1.40 3.76 -1.26 -4.89 115.29 120.19 2k5r s HIS 93 Ca 0.35 0.83 0.16 0.00 -0.15 0.00 0.00 55.06 56.24 2k5r s HIS 93 Cb -0.13 -4.22 0.44 0.00 1.11 0.00 0.00 32.58 29.78 2k5r s HIS 93 CO 0.17 -1.29 1.19 -2.39 -0.85 0.00 0.00 174.74 171.56 2k5r n HIS 94 N 7.74 0.65 -2.16 1.40 1.44 -1.26 -5.01 115.22 118.02 2k5r n HIS 94 Ca 0.13 -1.42 -0.30 0.00 -2.01 0.00 0.00 57.72 54.12 2k5r n HIS 94 Cb 0.48 -0.23 -0.05 0.00 0.12 0.00 0.00 29.99 30.31 2k5r n HIS 94 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2k5r s HIS 95 N -2.43 2.00 -0.51 -1.40 2.46 -1.26 -4.93 115.29 109.22 2k5r s HIS 95 Ca 0.38 0.25 -0.25 0.00 0.47 0.00 0.00 55.06 55.90 2k5r s HIS 95 Cb 0.38 -4.18 0.03 0.00 -0.13 0.00 0.00 32.58 28.67 2k5r s HIS 95 CO -0.08 -1.70 0.97 -1.58 -2.47 0.00 0.00 174.74 169.89 2k5r s HIS 96 N 9.07 2.83 0.00 3.88 5.04 -1.26 -5.35 115.29 129.50 2k5r s HIS 96 Ca 0.65 0.26 0.00 0.00 -1.54 0.00 0.00 55.06 54.42 2k5r s HIS 96 Cb -0.04 -4.10 0.00 0.00 0.04 0.00 0.00 32.58 28.48 2k5r s HIS 96 CO 0.00 -1.26 0.00 1.58 -2.34 0.00 0.00 174.74 172.72