#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6x s SER 26 N 0.00 -0.18 -0.07 1.61 0.15 -1.26 -5.17 113.70 108.79 2k6x s SER 26 Ca 0.00 -0.45 0.04 0.00 0.70 0.00 0.00 55.95 56.25 2k6x s SER 26 Cb 0.00 0.48 -0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2k6x s SER 26 CO 0.00 -0.89 -0.21 -1.00 1.20 0.00 0.00 173.24 172.34 2k6x s HIS 27 N -3.84 2.14 -0.21 3.44 0.09 -1.26 -5.11 115.29 110.54 2k6x s HIS 27 Ca 0.06 -0.74 0.02 0.00 -0.00 0.00 0.00 55.06 54.39 2k6x s HIS 27 Cb 0.02 -1.44 0.04 0.00 -0.00 0.00 0.00 32.58 31.19 2k6x s HIS 27 CO -0.09 -0.28 -0.15 -1.64 -0.00 0.00 0.00 174.74 172.58 2k6x s MET 28 N 0.18 2.57 0.56 1.40 1.00 -1.26 -4.98 119.30 118.77 2k6x s MET 28 Ca -0.10 -0.99 0.25 0.00 0.00 0.00 0.00 55.69 54.84 2k6x s MET 28 Cb -0.15 -2.63 1.50 0.00 0.00 0.00 0.00 34.83 33.55 2k6x s MET 28 CO 0.05 -0.36 2.08 -1.35 0.00 0.00 0.00 175.02 175.44 2k6x h PRO 29 N 7.89 0.00 -0.24 2.03 0.11 -1.99 -0.05 132.00 139.75 2k6x h PRO 29 Ca -0.34 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.65 2k6x h PRO 29 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2k6x h PRO 29 CO 0.55 0.00 -0.36 0.37 -0.21 0.00 0.00 178.00 178.36 2k6x h GLN 30 N 0.00 0.54 -0.08 1.05 4.15 -1.98 0.11 115.11 118.90 2k6x h GLN 30 Ca 0.12 -0.25 -0.02 0.00 0.77 0.00 0.00 58.65 59.27 2k6x h GLN 30 Cb 0.55 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 2k6x h GLN 30 CO -0.00 0.82 -0.03 0.82 -1.93 0.00 0.00 178.83 178.50 2k6x h ILE 31 N 0.45 1.32 -0.39 2.39 1.08 -1.42 -0.20 117.51 120.74 2k6x h ILE 31 Ca 0.05 -1.02 0.00 0.00 -0.39 0.00 0.00 64.86 63.50 2k6x h ILE 31 Cb 0.83 1.83 -0.02 0.00 -3.07 0.00 0.00 36.82 36.40 2k6x h ILE 31 CO 0.07 0.28 0.24 -0.33 -0.69 0.00 0.00 178.15 177.73 2k6x h GLU 32 N -0.20 0.52 -0.19 2.37 5.08 -1.28 -0.81 114.58 120.07 2k6x h GLU 32 Ca 0.02 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 2k6x h GLU 32 Cb 0.47 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2k6x h GLU 32 CO 0.01 0.36 -0.22 0.07 -1.00 0.00 0.00 179.01 178.24 2k6x h ARG 33 N 0.51 0.34 -0.17 2.33 0.11 -0.77 -2.36 114.38 114.36 2k6x h ARG 33 Ca 0.14 -0.11 -0.13 0.00 0.10 0.00 0.00 59.98 59.98 2k6x h ARG 33 Cb -0.03 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.01 2k6x h ARG 33 CO -0.03 0.55 -0.45 -0.09 0.10 0.00 0.00 179.97 180.05 2k6x h ARG 34 N 0.31 0.43 0.07 0.08 9.65 -0.40 -2.47 114.38 122.04 2k6x h ARG 34 Ca 0.05 -0.23 0.01 0.00 -1.10 0.00 0.00 59.98 58.71 2k6x h ARG 34 Cb 0.56 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 2k6x h ARG 34 CO 0.04 0.79 -0.08 0.82 2.80 0.00 0.00 179.97 184.34 2k6x h ILE 35 N 0.35 0.80 -0.24 1.20 2.04 -0.61 0.42 117.51 121.47 2k6x h ILE 35 Ca 0.02 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.76 2k6x h ILE 35 Cb 0.92 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 2k6x h ILE 35 CO 0.08 0.00 -0.39 0.11 0.00 0.00 0.00 178.15 177.95 2k6x h LYS 36 N -0.18 0.56 -0.44 2.37 6.56 -1.57 0.13 116.57 124.01 2k6x h LYS 36 Ca 0.01 -0.28 -0.05 0.00 -1.06 0.00 0.00 60.65 59.27 2k6x h LYS 36 Cb 0.18 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.82 2k6x h LYS 36 CO -0.04 0.86 0.08 -0.22 -2.06 0.00 0.00 179.45 178.07 2k6x h LYS 37 N 0.46 0.72 -0.26 3.15 1.63 -1.15 0.13 116.57 121.25 2k6x h LYS 37 Ca 0.04 -0.19 -0.05 0.00 -0.85 0.00 0.00 60.65 59.61 2k6x h LYS 37 Cb 0.88 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.41 2k6x h LYS 37 CO 0.08 0.74 -0.03 1.25 -3.45 0.00 0.00 179.45 178.04 2k6x h LEU 38 N 0.58 0.48 -1.29 5.20 5.85 0.03 -0.26 115.31 125.91 2k6x h LEU 38 Ca 0.14 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 2k6x h LEU 38 Cb 0.36 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2k6x h LEU 38 CO 0.01 0.70 0.19 0.40 -0.34 0.00 0.00 178.44 179.40 2k6x h ILE 39 N 0.25 1.18 -0.07 4.05 5.03 -0.59 0.10 117.51 127.46 2k6x h ILE 39 Ca 0.07 -0.55 -0.02 0.00 -0.12 0.00 0.00 64.86 64.24 2k6x h ILE 39 Cb 0.47 0.60 -0.00 0.00 -3.03 0.00 0.00 36.82 34.86 2k6x h ILE 39 CO 0.02 0.22 -0.03 0.28 -0.68 0.00 0.00 178.15 177.96 2k6x h SER 40 N 0.68 0.15 -1.00 1.72 0.02 -0.41 -2.77 113.55 111.94 2k6x h SER 40 Ca 0.17 -0.39 0.02 0.00 -0.84 0.00 0.00 61.79 60.74 2k6x h SER 40 Cb 0.13 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.58 2k6x h SER 40 CO -0.02 0.51 0.66 -0.07 -1.14 0.00 0.00 176.83 176.77 2k6x h LEU 41 N -0.21 1.13 -1.44 5.07 3.38 -0.51 0.50 115.31 123.23 2k6x h LEU 41 Ca 0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2k6x h LEU 41 Cb 0.45 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2k6x h LEU 41 CO 0.01 0.80 0.18 1.23 0.09 0.00 0.00 178.44 180.74 2k6x h GLY 42 N 1.32 0.59 1.33 0.83 0.00 -0.97 0.24 103.07 106.41 2k6x h GLY 42 Ca 0.38 -0.27 -0.21 0.00 0.00 0.00 0.00 47.33 47.23 2k6x h GLY 42 CO -0.10 0.26 -0.76 0.07 0.00 0.00 0.00 176.54 176.01 2k6x h LYS 43 N 0.56 0.66 0.00 4.80 5.09 -0.67 -2.07 116.57 124.94 2k6x h LYS 43 Ca 0.14 -0.54 -0.05 0.00 0.09 0.00 0.00 60.65 60.29 2k6x h LYS 43 Cb 0.09 0.11 -0.01 0.00 0.10 0.00 0.00 32.23 32.52 2k6x h LYS 43 CO -0.02 1.16 -0.22 0.87 -2.09 0.00 0.00 179.45 179.15 2k6x h LYS 44 N 0.45 0.00 0.00 0.07 6.56 -0.21 -1.67 116.57 121.78 2k6x h LYS 44 Ca -0.04 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 2k6x h LYS 44 Cb 1.37 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.03 2k6x h LYS 44 CO 0.15 0.22 0.00 1.63 -2.06 0.00 0.00 179.45 179.39 2k6x n LYS 45 N -4.27 0.08 0.00 3.15 4.76 0.75 -4.90 118.16 117.73 2k6x n LYS 45 Ca -0.02 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 2k6x n LYS 45 Cb 0.28 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 2k6x n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k6x n GLY 46 N 0.68 0.52 3.30 0.72 0.00 -0.63 -5.06 105.19 104.73 2k6x n GLY 46 Ca 0.05 0.06 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 2k6x n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k6x s TYR 47 N 0.00 1.03 -1.09 1.61 2.02 -1.16 -4.86 117.35 114.90 2k6x s TYR 47 Ca 0.00 -1.26 -0.19 0.00 -0.37 0.00 0.00 57.07 55.25 2k6x s TYR 47 Cb 0.00 -0.40 0.10 0.00 -0.40 0.00 0.00 41.96 41.26 2k6x s TYR 47 CO 0.00 -0.75 1.41 0.96 -1.57 0.00 0.00 175.55 175.61 2k6x s ILE 48 N -4.04 4.43 0.01 2.71 -5.25 -1.26 -3.40 121.20 114.39 2k6x s ILE 48 Ca 0.35 -1.63 -0.02 0.00 -0.99 0.00 0.00 60.65 58.37 2k6x s ILE 48 Cb 0.05 -4.98 -0.01 0.00 2.95 0.00 0.00 42.46 40.47 2k6x s ILE 48 CO 0.13 -1.77 0.02 -0.89 -1.79 0.00 0.00 174.94 170.64 2k6x s THR 49 N 3.45 0.07 0.41 8.37 2.01 -1.26 0.94 115.64 129.63 2k6x s THR 49 Ca 0.43 -0.57 0.08 0.00 0.31 0.00 0.00 61.69 61.94 2k6x s THR 49 Cb -0.01 -0.22 0.26 0.00 0.01 0.00 0.00 72.50 72.53 2k6x s THR 49 CO -0.04 -0.31 2.05 0.22 -0.69 0.00 0.00 174.62 175.85 2k6x h TYR 50 N 5.07 0.47 -0.39 4.92 3.20 -0.99 -0.53 116.97 128.73 2k6x h TYR 50 Ca -0.29 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.47 2k6x h TYR 50 Cb 1.21 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 2k6x h TYR 50 CO 0.56 0.31 -0.21 0.93 -1.64 0.00 0.00 178.16 178.11 2k6x h GLU 51 N 0.50 0.76 -0.09 1.82 5.08 -1.88 -0.63 114.58 120.14 2k6x h GLU 51 Ca 0.13 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 2k6x h GLU 51 Cb -0.03 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2k6x h GLU 51 CO -0.03 0.90 -0.21 -0.44 -1.00 0.00 0.00 179.01 178.24 2k6x h ASP 52 N 0.66 0.14 -0.01 1.42 3.32 -1.54 0.17 116.42 120.58 2k6x h ASP 52 Ca 0.09 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 2k6x h ASP 52 Cb 0.71 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 2k6x h ASP 52 CO 0.05 0.36 0.00 0.40 -1.72 0.00 0.00 179.24 178.34 2k6x h ILE 53 N 0.13 1.20 -0.25 0.35 1.08 -0.51 -1.90 117.51 117.61 2k6x h ILE 53 Ca 0.02 -0.59 -0.02 0.00 -0.39 0.00 0.00 64.86 63.89 2k6x h ILE 53 Cb 0.46 1.58 -0.01 0.00 -3.07 0.00 0.00 36.82 35.77 2k6x h ILE 53 CO 0.03 0.15 0.08 -0.78 -0.69 0.00 0.00 178.15 176.94 2k6x h ASP 54 N -0.23 0.32 1.27 1.72 3.58 -0.72 0.39 116.42 122.74 2k6x h ASP 54 Ca 0.00 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2k6x h ASP 54 Cb 0.25 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2k6x h ASP 54 CO 0.00 0.31 0.00 0.07 -2.88 0.00 0.00 179.24 176.74 2k6x h LYS 55 N 0.35 0.00 0.00 0.28 2.10 -0.55 -3.08 116.57 115.68 2k6x h LYS 55 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 2k6x h LYS 55 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 2k6x h LYS 55 CO -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.44 2k6x h ALA 56 N 2.20 1.00 -2.65 0.07 0.00 -0.07 -3.45 119.26 116.36 2k6x h ALA 56 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 2k6x h ALA 56 Cb 0.63 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.49 2k6x h ALA 56 CO 0.00 0.00 0.98 1.19 0.00 0.00 0.00 179.25 181.42 2k6x n PHE 57 N -3.06 2.74 -2.53 0.00 3.01 -1.17 -2.60 117.46 113.86 2k6x n PHE 57 Ca 0.03 0.08 -0.43 0.00 1.01 0.00 0.00 57.45 58.15 2k6x n PHE 57 Cb 0.47 -2.66 -0.02 0.00 -0.01 0.00 0.00 39.48 37.26 2k6x n PHE 57 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 2k6x s PRO 58 N 0.89 4.34 0.00 -1.08 0.02 -1.26 -5.11 135.00 132.80 2k6x s PRO 58 Ca 0.74 1.57 0.00 0.00 0.02 0.00 0.00 61.00 63.32 2k6x s PRO 58 Cb -0.51 -3.59 0.00 0.00 0.02 0.00 0.00 34.50 30.41 2k6x s PRO 58 CO 0.35 -0.47 0.00 -0.35 -0.33 0.00 0.00 177.00 176.20 2k6x n PRO 59 N 5.49 3.35 -0.47 5.54 -0.05 -1.07 -5.01 135.00 142.78 2k6x n PRO 59 Ca 0.11 0.00 0.09 0.00 -0.05 0.00 0.00 63.50 63.65 2k6x n PRO 59 Cb 0.47 0.00 0.31 0.00 -0.05 0.00 0.00 33.50 34.23 2k6x n PRO 59 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 2k6x n ASP 60 N 0.00 4.02 -4.66 3.54 2.03 -1.26 -4.94 116.55 115.28 2k6x n ASP 60 Ca 0.00 -2.23 -0.42 0.00 0.52 0.00 0.00 54.79 52.65 2k6x n ASP 60 Cb 0.00 -0.51 -0.03 0.00 -0.72 0.00 0.00 41.12 39.87 2k6x n ASP 60 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2k6x s PHE 61 N -1.52 1.97 -0.23 -0.67 -0.71 -1.26 -4.85 117.98 110.70 2k6x s PHE 61 Ca 0.46 0.15 0.17 0.00 -1.04 0.00 0.00 56.93 56.67 2k6x s PHE 61 Cb 0.27 -3.95 0.11 0.00 -1.21 0.00 0.00 43.02 38.24 2k6x s PHE 61 CO 0.26 -3.99 1.41 0.93 -1.34 0.00 0.00 175.22 172.48 2k6x h GLU 62 N 9.48 0.00 -1.67 1.99 5.08 -1.94 -3.46 114.58 124.06 2k6x h GLU 62 Ca -0.41 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.04 2k6x h GLU 62 Cb 1.19 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.20 2k6x h GLU 62 CO 0.95 0.34 0.19 0.20 -1.00 0.00 0.00 179.01 179.68 2k6x s GLY 63 N -4.43 -0.32 -0.14 -3.84 0.00 -1.26 -5.15 107.32 92.18 2k6x s GLY 63 Ca 0.04 2.81 -0.07 0.00 0.00 0.00 0.00 44.72 47.49 2k6x s GLY 63 CO 0.74 2.67 0.12 -0.12 0.00 0.00 0.00 173.10 176.50 2k6x s PHE 64 N 1.75 3.49 -0.10 1.90 5.36 -1.26 -5.02 117.98 124.10 2k6x s PHE 64 Ca -0.08 0.42 -0.13 0.00 -0.96 0.00 0.00 56.93 56.18 2k6x s PHE 64 Cb -0.05 -1.99 0.03 0.00 -0.34 0.00 0.00 43.02 40.67 2k6x s PHE 64 CO -0.17 0.57 0.35 0.34 -1.46 0.00 0.00 175.22 174.84 2k6x s ASP 65 N -0.58 -0.33 0.50 6.13 -1.08 -1.26 -5.03 116.67 115.01 2k6x s ASP 65 Ca 0.12 0.56 0.22 0.00 -0.52 0.00 0.00 52.55 52.93 2k6x s ASP 65 Cb -0.12 0.62 1.30 0.00 -1.46 0.00 0.00 42.92 43.26 2k6x s ASP 65 CO 0.02 -0.21 2.06 0.00 0.52 0.00 0.00 175.17 177.56 2k6x h THR 66 N 4.37 0.81 -0.22 1.71 1.03 -2.01 -1.53 112.91 117.07 2k6x h THR 66 Ca -0.27 -0.51 -0.08 0.00 -0.01 0.00 0.00 66.41 65.54 2k6x h THR 66 Cb 1.18 1.30 -0.01 0.00 -1.07 0.00 0.00 68.15 69.55 2k6x h THR 66 CO 0.31 0.13 -0.19 0.78 -0.01 0.00 0.00 175.52 176.54 2k6x h ASN 67 N 0.00 0.38 -0.94 0.00 2.35 -2.00 -2.47 115.58 112.91 2k6x h ASN 67 Ca -0.00 -0.11 0.02 0.00 -0.55 0.00 0.00 56.30 55.66 2k6x h ASN 67 Cb 0.29 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.51 2k6x h ASN 67 CO 0.02 0.59 0.62 0.25 -1.65 0.00 0.00 177.43 177.26 2k6x h LEU 68 N 0.36 1.06 -0.80 1.61 5.85 -1.69 0.25 115.31 121.95 2k6x h LEU 68 Ca 0.06 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2k6x h LEU 68 Cb 0.54 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 2k6x h LEU 68 CO 0.04 0.76 0.49 0.40 -0.34 0.00 0.00 178.44 179.78 2k6x h ILE 69 N 1.25 1.22 -0.27 4.05 1.08 -1.41 0.40 117.51 123.83 2k6x h ILE 69 Ca 0.35 -0.49 -0.10 0.00 -0.39 0.00 0.00 64.86 64.24 2k6x h ILE 69 Cb -0.11 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 33.74 2k6x h ILE 69 CO -0.09 0.23 -0.22 -0.33 -0.69 0.00 0.00 178.15 177.06 2k6x h GLU 70 N 1.10 0.63 -0.56 2.37 4.39 -1.34 -2.66 114.58 118.51 2k6x h GLU 70 Ca 0.29 -0.31 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 2k6x h GLU 70 Cb -0.05 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 2k6x h GLU 70 CO -0.05 0.91 0.22 -0.09 -1.16 0.00 0.00 179.01 178.84 2k6x h ARG 71 N 0.36 0.80 -0.13 2.33 9.65 0.24 -0.25 114.38 127.39 2k6x h ARG 71 Ca 0.05 -0.12 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 2k6x h ARG 71 Cb 0.76 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.19 2k6x h ARG 71 CO 0.06 0.66 0.03 0.82 2.80 0.00 0.00 179.97 184.33 2k6x h ILE 72 N 0.80 1.20 -0.72 1.20 2.04 -0.19 -1.65 117.51 120.19 2k6x h ILE 72 Ca 0.19 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 2k6x h ILE 72 Cb 0.15 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 2k6x h ILE 72 CO -0.02 0.19 0.30 0.45 0.00 0.00 0.00 178.15 179.07 2k6x h HIS 73 N -0.00 1.09 -0.62 1.37 3.86 -1.02 0.01 115.15 119.84 2k6x h HIS 73 Ca 0.04 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 2k6x h HIS 73 Cb 0.26 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 2k6x h HIS 73 CO 0.01 0.83 0.31 0.93 0.86 0.00 0.00 177.93 180.87 2k6x h GLU 74 N 1.03 0.89 0.00 2.45 5.08 -1.06 -2.34 114.58 120.63 2k6x h GLU 74 Ca 0.24 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 2k6x h GLU 74 Cb 0.20 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2k6x h GLU 74 CO -0.02 0.71 -0.19 0.93 -1.00 0.00 0.00 179.01 179.43 2k6x h GLU 75 N 0.85 0.00 -0.32 2.33 5.08 -0.53 0.35 114.58 122.33 2k6x h GLU 75 Ca 0.21 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.61 2k6x h GLU 75 Cb 0.11 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 2k6x h GLU 75 CO -0.03 0.19 0.10 -0.07 -1.00 0.00 0.00 179.01 178.21 2k6x h LEU 76 N 0.00 0.09 0.00 1.33 3.38 -0.45 0.66 115.31 120.32 2k6x h LEU 76 Ca -0.00 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 2k6x h LEU 76 Cb 0.38 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2k6x h LEU 76 CO 0.03 0.09 -0.48 -0.08 0.09 0.00 0.00 178.44 178.08 2k6x h GLU 77 N 0.23 0.00 -0.08 1.13 4.81 -1.41 -2.83 114.58 116.44 2k6x h GLU 77 Ca 0.15 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.22 2k6x h GLU 77 Cb 0.13 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.52 2k6x h GLU 77 CO -0.16 0.97 -0.57 0.87 -0.73 0.00 0.00 179.01 179.38 2k6x h LYS 78 N -1.00 0.52 0.00 1.92 1.57 -0.36 -3.31 116.57 115.91 2k6x h LYS 78 Ca -0.13 -0.46 -0.06 0.00 -1.87 0.00 0.00 60.65 58.12 2k6x h LYS 78 Cb 1.09 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 2k6x h LYS 78 CO -0.08 1.09 -1.67 1.58 -0.57 0.00 0.00 179.45 179.81 2k6x n HIS 79 N -4.19 0.43 -0.77 -1.35 -0.00 0.10 -4.98 115.22 104.46 2k6x n HIS 79 Ca -0.09 0.13 0.00 0.00 0.46 0.00 0.00 57.72 58.22 2k6x n HIS 79 Cb 0.64 -0.77 0.00 0.00 -0.12 0.00 0.00 29.99 29.74 2k6x n HIS 79 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2k6x n GLY 80 N 1.31 0.55 3.79 1.57 0.00 0.19 -4.97 105.19 107.62 2k6x n GLY 80 Ca -0.07 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 2k6x n GLY 80 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2k6x s ILE 81 N -2.00 3.78 -0.14 -0.61 2.07 -0.76 -4.93 121.20 118.61 2k6x s ILE 81 Ca 0.00 1.32 -0.00 0.00 -1.41 0.00 0.00 60.65 60.56 2k6x s ILE 81 Cb 0.00 -3.66 -0.01 0.00 0.13 0.00 0.00 42.46 38.91 2k6x s ILE 81 CO 0.00 -0.03 -0.12 0.20 -1.91 0.00 0.00 174.94 173.08 2k6x s ASN 82 N -1.64 4.04 -0.29 4.50 0.02 -1.26 -3.97 114.94 116.34 2k6x s ASN 82 Ca 0.59 -0.33 -0.11 0.00 -1.02 0.00 0.00 52.86 51.99 2k6x s ASN 82 Cb -0.21 -1.62 0.12 0.00 0.02 0.00 0.00 41.25 39.56 2k6x s ASN 82 CO 0.26 0.15 0.64 -0.51 0.02 0.00 0.00 177.10 177.66 2k6x s ILE 83 N 0.44 -0.85 0.28 0.60 1.10 -1.26 -4.85 121.20 116.65 2k6x s ILE 83 Ca -0.09 0.01 0.02 0.00 -0.51 0.00 0.00 60.65 60.07 2k6x s ILE 83 Cb -0.16 -0.98 -0.03 0.00 0.15 0.00 0.00 42.46 41.44 2k6x s ILE 83 CO 0.05 0.00 0.45 0.54 -2.11 0.00 0.00 174.94 173.87 2k6x s VAL 84 N 2.72 5.18 -0.21 4.00 0.11 0.27 -4.79 120.40 127.68 2k6x s VAL 84 Ca -0.06 -0.62 0.19 0.00 -2.93 0.00 0.00 61.98 58.55 2k6x s VAL 84 Cb -0.11 -3.83 0.00 0.00 -1.53 0.00 0.00 36.38 30.91 2k6x s VAL 84 CO -0.19 -0.40 1.10 -0.33 -3.33 0.00 0.00 175.10 171.95 2k6x h GLU 85 N 1.16 0.00 0.00 1.54 4.39 -1.96 0.16 114.58 119.87 2k6x h GLU 85 Ca -0.50 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.20 2k6x h GLU 85 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 2k6x h GLU 85 CO 0.63 0.19 0.00 -1.71 -1.16 0.00 0.00 179.01 176.95 2k6x n ASN 86 N -2.90 -1.56 -4.15 1.42 5.15 -1.26 -4.81 115.26 107.15 2k6x n ASN 86 Ca -0.03 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.68 2k6x n ASN 86 Cb 0.68 -0.79 -0.16 0.00 -0.53 0.00 0.00 39.78 38.98 2k6x n ASN 86 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2k6x s GLU 87 N -0.30 2.00 -0.01 1.20 2.02 -1.26 -5.11 118.70 117.25 2k6x s GLU 87 Ca 0.00 -0.65 -0.30 0.00 0.02 0.00 0.00 54.97 54.03 2k6x s GLU 87 Cb 0.00 -1.69 -0.06 0.00 0.10 0.00 0.00 34.13 32.48 2k6x s GLU 87 CO 0.00 0.23 1.53 -1.25 0.02 0.00 0.00 175.26 175.80 2k6x s PRO 88 N 0.11 4.23 0.00 0.39 0.04 -1.26 -4.92 135.00 133.58 2k6x s PRO 88 Ca -0.06 2.11 0.21 0.00 0.04 0.00 0.00 61.00 63.30 2k6x s PRO 88 Cb -0.13 -3.71 0.56 0.00 0.04 0.00 0.00 34.50 31.26 2k6x s PRO 88 CO 0.03 -0.70 1.46 -0.85 0.04 0.00 0.00 177.00 176.98 2k6x n GLU 89 N 6.00 2.14 -2.50 4.56 0.00 -1.26 -4.87 120.64 124.71 2k6x n GLU 89 Ca 0.15 -1.73 -0.40 0.00 0.00 0.00 0.00 57.16 55.18 2k6x n GLU 89 Cb 0.43 -1.45 -0.04 0.00 0.00 0.00 0.00 31.44 30.37 2k6x n GLU 89 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2k6x s GLU 90 N -1.60 4.65 -1.52 3.44 1.03 -1.26 -2.94 118.70 120.50 2k6x s GLU 90 Ca 0.35 1.77 -0.06 0.00 0.03 0.00 0.00 54.97 57.07 2k6x s GLU 90 Cb 0.20 -3.21 0.01 0.00 -0.80 0.00 0.00 34.13 30.33 2k6x s GLU 90 CO 0.28 0.22 0.69 0.39 -1.33 0.00 0.00 175.26 175.51 2k6x n GLU 91 N 1.36 -5.27 0.06 -4.83 1.02 -1.26 -4.84 120.64 106.88 2k6x n GLU 91 Ca -0.01 0.88 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 2k6x n GLU 91 Cb 0.45 -5.76 0.00 0.00 -0.02 0.00 0.00 31.44 26.11 2k6x n GLU 91 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2k6x n GLU 92 N -4.17 0.00 0.19 3.49 4.07 -1.15 -4.83 120.64 118.24 2k6x n GLU 92 Ca -0.09 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.15 2k6x n GLU 92 Cb 0.61 -0.07 0.53 0.00 -0.06 0.00 0.00 31.44 32.45 2k6x n GLU 92 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 2k6x h ILE 93 N 0.00 0.00 -1.43 6.31 2.04 -1.87 -3.46 117.51 119.10 2k6x h ILE 93 Ca 0.00 -0.43 -0.23 0.00 1.00 0.00 0.00 64.86 65.20 2k6x h ILE 93 Cb 0.00 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 2k6x h ILE 93 CO 0.00 0.00 -0.28 -1.20 0.00 0.00 0.00 178.15 176.67 2k6x n SER 94 N -2.65 -3.83 -3.56 1.72 7.64 -1.26 -5.00 113.62 106.68 2k6x n SER 94 Ca 0.02 0.05 -0.17 0.00 1.01 0.00 0.00 58.87 59.77 2k6x n SER 94 Cb 0.31 -2.92 -0.06 0.00 -1.01 0.00 0.00 64.21 60.52 2k6x n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k6x s ALA 95 N -2.54 -1.64 0.00 -0.43 0.00 -1.26 -5.10 121.76 110.79 2k6x s ALA 95 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.20 2k6x s ALA 95 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2k6x s ALA 95 CO 0.00 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.82