#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oa5 s ASP 7 N 0.00 6.47 0.21 2.55 -1.08 -1.26 -4.85 116.67 118.72 2oa5 s ASP 7 Ca 0.00 -1.81 -0.02 0.00 -0.52 0.00 0.00 52.55 50.20 2oa5 s ASP 7 Cb 0.00 -2.36 0.19 0.00 -1.46 0.00 0.00 42.92 39.29 2oa5 s ASP 7 CO 0.00 -1.08 1.57 0.50 0.52 0.00 0.00 175.17 176.68 2oa5 h LYS 8 N 8.90 0.54 -0.51 4.34 3.64 -2.06 -2.46 116.57 128.97 2oa5 h LYS 8 Ca -0.03 -0.30 -0.06 0.00 -1.27 0.00 0.00 60.65 58.99 2oa5 h LYS 8 Cb 1.05 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 2oa5 h LYS 8 CO 1.07 0.89 0.09 1.15 -2.27 0.00 0.00 179.45 180.38 2oa5 h THR 9 N 0.44 1.25 -0.60 1.00 2.02 -2.00 -1.97 112.91 113.05 2oa5 h THR 9 Ca 0.03 -0.93 -0.09 0.00 0.77 0.00 0.00 66.41 66.19 2oa5 h THR 9 Cb 0.97 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 2oa5 h THR 9 CO 0.09 0.33 0.03 0.22 0.37 0.00 0.00 175.52 176.56 2oa5 h TYR 10 N 0.73 1.12 -0.63 3.16 5.03 -1.95 -2.92 116.97 121.51 2oa5 h TYR 10 Ca 0.16 -0.18 -0.00 0.00 2.58 0.00 0.00 58.73 61.28 2oa5 h TYR 10 Cb 0.39 -0.30 -0.03 0.00 1.55 0.00 0.00 36.73 38.35 2oa5 h TYR 10 CO 0.03 0.98 0.37 0.93 -1.32 0.00 0.00 178.16 179.15 2oa5 h GLU 11 N 0.93 0.85 -1.31 1.82 5.08 -1.29 -1.61 114.58 119.06 2oa5 h GLU 11 Ca 0.17 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2oa5 h GLU 11 Cb 0.51 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2oa5 h GLU 11 CO 0.02 0.61 0.00 0.39 -1.00 0.00 0.00 179.01 179.04 2oa5 n GLU 12 N -4.59 0.00 0.00 2.33 1.02 -0.75 -1.76 120.64 116.88 2oa5 n GLU 12 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2oa5 n GLU 12 Cb 0.06 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 2oa5 n GLU 12 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2oa5 n VAL 14 N 0.81 0.00 -0.05 2.62 0.31 -0.61 -0.53 118.33 120.88 2oa5 n VAL 14 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 2oa5 n VAL 14 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 2oa5 n VAL 14 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2oa5 h LYS 15 N 0.00 0.43 -0.79 5.55 1.57 -1.62 -2.92 116.57 118.78 2oa5 h LYS 15 Ca 0.00 -0.26 0.05 0.00 -1.87 0.00 0.00 60.65 58.57 2oa5 h LYS 15 Cb 0.00 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 2oa5 h LYS 15 CO 0.00 0.85 0.52 1.49 -0.57 0.00 0.00 179.45 181.74 2oa5 h GLU 16 N 0.04 0.89 -0.67 3.15 4.57 -1.07 0.16 114.58 121.66 2oa5 h GLU 16 Ca 0.01 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.07 2oa5 h GLU 16 Cb 0.82 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.18 2oa5 h GLU 16 CO 0.06 0.59 0.13 0.28 -1.18 0.00 0.00 179.01 178.89 2oa5 h VAL 17 N 0.92 1.26 -0.23 0.32 2.07 -1.81 -0.30 116.25 118.48 2oa5 h VAL 17 Ca 0.33 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 2oa5 h VAL 17 Cb 0.13 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2oa5 h VAL 17 CO -0.10 0.37 -0.09 -0.08 0.02 0.00 0.00 177.57 177.69 2oa5 h GLU 18 N 1.02 0.46 -0.29 1.57 4.57 -1.00 -1.00 114.58 119.90 2oa5 h GLU 18 Ca 0.21 -0.19 0.04 0.00 -1.18 0.00 0.00 59.36 58.24 2oa5 h GLU 18 Cb 0.40 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.93 2oa5 h GLU 18 CO 0.01 0.72 0.06 0.00 -1.18 0.00 0.00 179.01 178.62 2oa5 h ARG 19 N 0.18 0.16 -0.69 1.92 3.08 -0.51 -0.10 114.38 118.41 2oa5 h ARG 19 Ca 0.05 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2oa5 h ARG 19 Cb 0.57 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 2oa5 h ARG 19 CO 0.03 0.11 0.38 -0.07 -1.07 0.00 0.00 179.97 179.34 2oa5 h LEU 20 N 0.17 0.85 0.05 3.04 3.38 -0.96 -1.33 115.31 120.51 2oa5 h LEU 20 Ca 0.13 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2oa5 h LEU 20 Cb 0.14 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2oa5 h LEU 20 CO -0.18 0.69 -0.02 0.11 0.09 0.00 0.00 178.44 179.13 2oa5 h LYS 21 N 0.97 -0.06 0.23 1.13 1.57 -0.40 0.25 116.57 120.26 2oa5 h LYS 21 Ca 0.25 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.04 2oa5 h LYS 21 Cb 0.03 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 2oa5 h LYS 21 CO -0.04 0.16 -0.46 -0.07 -0.57 0.00 0.00 179.45 178.47 2oa5 h LEU 22 N -0.28 -1.34 -0.49 2.94 3.38 -0.71 0.99 115.31 119.80 2oa5 h LEU 22 Ca -0.01 0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2oa5 h LEU 22 Cb 0.25 0.48 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2oa5 h LEU 22 CO 0.01 -0.55 0.29 -0.08 0.09 0.00 0.00 178.44 178.20 2oa5 h GLU 23 N -0.77 0.56 0.00 1.13 4.81 -1.28 -0.71 114.58 118.33 2oa5 h GLU 23 Ca -0.01 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2oa5 h GLU 23 Cb 0.75 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.00 2oa5 h GLU 23 CO -0.20 0.37 -0.12 -0.91 -0.73 0.00 0.00 179.01 177.42 2oa5 h ASN 24 N 0.58 0.00 0.52 1.04 4.21 -0.61 0.30 115.58 121.62 2oa5 h ASN 24 Ca 0.20 0.00 -0.21 0.00 1.21 0.00 0.00 56.30 57.50 2oa5 h ASN 24 Cb 0.03 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.22 2oa5 h ASN 24 CO -0.10 0.12 -0.91 0.11 -1.29 0.00 0.00 177.43 175.37 2oa5 h LYS 25 N 0.00 0.25 -0.29 0.81 1.57 0.09 -2.24 116.57 116.77 2oa5 h LYS 25 Ca -0.00 -0.28 -0.11 0.00 -1.87 0.00 0.00 60.65 58.39 2oa5 h LYS 25 Cb 0.26 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2oa5 h LYS 25 CO 0.02 1.00 -0.25 1.15 -0.57 0.00 0.00 179.45 180.80 2oa5 h THR 26 N 0.14 1.30 -0.36 -0.16 2.02 0.39 -2.65 112.91 113.60 2oa5 h THR 26 Ca -0.06 -1.40 -0.08 0.00 0.77 0.00 0.00 66.41 65.64 2oa5 h THR 26 Cb 1.54 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 69.50 2oa5 h THR 26 CO 0.14 0.45 -0.13 -0.07 0.37 0.00 0.00 175.52 176.29 2oa5 h LEU 27 N 0.42 0.61 -0.79 2.58 3.38 -0.50 -2.16 115.31 118.85 2oa5 h LEU 27 Ca 0.05 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 2oa5 h LEU 27 Cb 0.81 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2oa5 h LEU 27 CO 0.06 0.77 -0.15 0.11 0.09 0.00 0.00 178.44 179.32 2oa5 h LYS 28 N 0.57 0.75 -0.23 1.13 1.57 -1.38 -0.59 116.57 118.39 2oa5 h LYS 28 Ca 0.10 -0.27 0.05 0.00 -1.87 0.00 0.00 60.65 58.66 2oa5 h LYS 28 Cb 0.55 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 2oa5 h LYS 28 CO 0.03 0.86 -0.05 0.37 -0.57 0.00 0.00 179.45 180.10 2oa5 h GLN 29 N 0.67 0.01 -0.44 3.15 4.15 -1.05 -0.36 115.11 121.24 2oa5 h GLN 29 Ca 0.11 -0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.39 2oa5 h GLN 29 Cb 0.64 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 2oa5 h GLN 29 CO 0.04 0.00 -0.26 0.87 -1.93 0.00 0.00 178.83 177.56 2oa5 h LYS 30 N 0.01 0.94 -0.50 1.69 1.57 -1.21 0.49 116.57 119.56 2oa5 h LYS 30 Ca 0.11 -0.42 -0.00 0.00 -1.87 0.00 0.00 60.65 58.47 2oa5 h LYS 30 Cb 0.17 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2oa5 h LYS 30 CO -0.23 1.08 0.29 0.28 -0.57 0.00 0.00 179.45 180.30 2oa5 h VAL 31 N 0.80 1.14 0.02 0.50 2.07 -0.64 0.64 116.25 120.78 2oa5 h VAL 31 Ca 0.10 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 2oa5 h VAL 31 Cb 0.83 0.45 0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2oa5 h VAL 31 CO 0.07 0.15 -0.21 0.11 0.02 0.00 0.00 177.57 177.71 2oa5 h LYS 32 N 0.68 0.10 0.43 1.57 1.57 -0.86 -3.05 116.57 117.02 2oa5 h LYS 32 Ca 0.18 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2oa5 h LYS 32 Cb -0.02 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2oa5 h LYS 32 CO -0.03 0.99 -0.37 0.77 -0.57 0.00 0.00 179.45 180.24 2oa5 h SER 33 N -0.72 -0.99 -3.40 0.86 0.02 -0.66 -3.39 113.55 105.27 2oa5 h SER 33 Ca -0.03 0.07 -0.56 0.00 -0.84 0.00 0.00 61.79 60.43 2oa5 h SER 33 Cb 1.09 0.32 0.18 0.00 0.14 0.00 0.00 62.40 64.12 2oa5 h SER 33 CO 0.04 -0.51 -0.16 -1.54 -1.14 0.00 0.00 176.83 173.52 2oa5 n SER 34 N -4.65 -0.34 -2.03 3.07 3.41 0.22 -4.86 113.62 108.44 2oa5 n SER 34 Ca -0.09 0.68 -0.16 0.00 -0.26 0.00 0.00 58.87 59.03 2oa5 n SER 34 Cb 0.35 -1.29 -0.04 0.00 -0.26 0.00 0.00 64.21 62.97 2oa5 n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2oa5 n GLY 35 N 1.45 3.71 2.41 5.00 0.00 -1.26 -4.61 105.19 111.89 2oa5 n GLY 35 Ca 0.12 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 2oa5 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oa5 n ALA 36 N 1.11 6.33 -3.62 4.61 0.00 -1.15 -4.63 120.51 123.16 2oa5 n ALA 36 Ca 0.33 -3.51 -0.29 0.00 0.00 0.00 0.00 53.44 49.98 2oa5 n ALA 36 Cb 0.62 -1.80 -0.15 0.00 0.00 0.00 0.00 19.45 18.12 2oa5 n ALA 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2oa5 s VAL 37 N -4.75 0.27 0.02 0.00 0.11 -1.26 -4.97 120.40 109.82 2oa5 s VAL 37 Ca 0.61 -0.92 -0.39 0.00 -2.93 0.00 0.00 61.98 58.35 2oa5 s VAL 37 Cb 0.49 -1.18 -0.19 0.00 -1.53 0.00 0.00 36.38 33.96 2oa5 s VAL 37 CO -0.08 -0.66 1.14 -0.24 -3.33 0.00 0.00 175.10 171.93 2oa5 n SER 38 N 5.11 0.43 -0.05 3.54 2.88 -1.26 -4.78 113.62 119.49 2oa5 n SER 38 Ca -0.05 1.15 0.16 0.00 -1.33 0.00 0.00 58.87 58.80 2oa5 n SER 38 Cb 0.43 -0.99 0.59 0.00 -0.75 0.00 0.00 64.21 63.49 2oa5 n SER 38 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2oa5 h SER 39 N 3.42 0.19 0.63 -3.46 0.87 -1.98 0.64 113.55 113.85 2oa5 h SER 39 Ca -0.50 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.00 2oa5 h SER 39 Cb 1.40 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.32 2oa5 h SER 39 CO 0.68 0.11 -0.32 -0.78 -0.53 0.00 0.00 176.83 175.99 2oa5 h ASP 40 N 0.21 0.00 -4.21 6.23 3.58 -2.05 -3.45 116.42 116.72 2oa5 h ASP 40 Ca 0.27 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.67 2oa5 h ASP 40 Cb 0.79 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.85 2oa5 h ASP 40 CO -0.05 0.32 -0.01 -0.67 -2.88 0.00 0.00 179.24 175.95 2oa5 n ASP 41 N -3.68 0.33 -3.53 2.28 -0.08 0.22 -5.15 116.55 106.94 2oa5 n ASP 41 Ca -0.01 -1.17 -0.13 0.00 -1.51 0.00 0.00 54.79 51.98 2oa5 n ASP 41 Cb 0.43 -0.04 -0.04 0.00 2.34 0.00 0.00 41.12 43.80 2oa5 n ASP 41 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2oa5 s SER 42 N -1.38 -0.48 0.06 1.67 0.15 -1.26 -4.77 113.70 107.70 2oa5 s SER 42 Ca 0.06 0.38 -0.25 0.00 0.70 0.00 0.00 55.95 56.84 2oa5 s SER 42 Cb -0.00 0.42 -0.06 0.00 -1.71 0.00 0.00 66.02 64.67 2oa5 s SER 42 CO 0.04 -0.54 0.77 -0.63 1.20 0.00 0.00 173.24 174.08 2oa5 s ILE 43 N -1.79 4.67 0.14 6.45 1.09 -1.26 -5.01 121.20 125.50 2oa5 s ILE 43 Ca -0.03 1.66 -0.31 0.00 -1.10 0.00 0.00 60.65 60.87 2oa5 s ILE 43 Cb -0.00 -4.13 -0.09 0.00 -1.06 0.00 0.00 42.46 37.18 2oa5 s ILE 43 CO 0.01 0.38 1.43 -0.76 -0.10 0.00 0.00 174.94 175.90 2oa5 s LEU 44 N -0.21 4.37 0.47 2.97 1.02 -1.26 -5.03 118.68 121.02 2oa5 s LEU 44 Ca 0.38 2.43 -0.09 0.00 0.02 0.00 0.00 54.13 56.87 2oa5 s LEU 44 Cb -0.21 -3.59 -0.05 0.00 0.02 0.00 0.00 46.19 42.36 2oa5 s LEU 44 CO 0.24 -0.69 0.83 0.42 0.02 0.00 0.00 176.35 177.17 2oa5 s THR 45 N 0.96 4.80 0.12 5.49 -4.23 -1.26 -4.91 115.64 116.62 2oa5 s THR 45 Ca 0.65 0.54 -0.19 0.00 -1.18 0.00 0.00 61.69 61.51 2oa5 s THR 45 Cb -0.39 -3.80 -0.06 0.00 1.34 0.00 0.00 72.50 69.60 2oa5 s THR 45 CO 0.32 -0.75 1.75 0.00 -0.54 0.00 0.00 174.62 175.41 2oa5 h ALA 46 N 0.62 0.31 -0.58 3.99 0.00 -1.99 0.02 119.26 121.63 2oa5 h ALA 46 Ca -0.47 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 2oa5 h ALA 46 Cb 1.19 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2oa5 h ALA 46 CO 0.63 -0.19 0.22 0.00 0.00 0.00 0.00 179.25 179.90 2oa5 h ALA 47 N 1.06 1.29 -0.21 0.00 0.00 -1.99 -0.67 119.26 118.74 2oa5 h ALA 47 Ca 0.09 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2oa5 h ALA 47 Cb 0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 2oa5 h ALA 47 CO -0.02 0.52 -0.12 -0.22 0.00 0.00 0.00 179.25 179.41 2oa5 h LYS 48 N 0.84 0.45 -0.39 0.00 1.63 -1.88 -2.01 116.57 115.21 2oa5 h LYS 48 Ca 0.20 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2oa5 h LYS 48 Cb 0.19 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 2oa5 h LYS 48 CO -0.02 0.75 0.25 -0.09 -3.45 0.00 0.00 179.45 176.90 2oa5 h ARG 49 N 0.15 0.53 -0.60 1.90 2.43 -0.76 -2.12 114.38 115.90 2oa5 h ARG 49 Ca 0.04 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2oa5 h ARG 49 Cb 0.63 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 2oa5 h ARG 49 CO 0.04 0.37 0.37 1.49 -1.51 0.00 0.00 179.97 180.72 2oa5 h GLU 50 N 0.52 0.81 -0.43 0.20 4.57 -1.08 -0.37 114.58 118.81 2oa5 h GLU 50 Ca 0.14 -0.07 -0.13 0.00 -1.18 0.00 0.00 59.36 58.13 2oa5 h GLU 50 Cb -0.03 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 2oa5 h GLU 50 CO -0.03 0.57 -0.23 1.03 -1.18 0.00 0.00 179.01 179.17 2oa5 h SER 51 N 0.83 0.95 -0.12 1.04 0.87 -0.97 -1.33 113.55 114.82 2oa5 h SER 51 Ca 0.22 -0.41 -0.07 0.00 -1.23 0.00 0.00 61.79 60.29 2oa5 h SER 51 Cb -0.04 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.66 2oa5 h SER 51 CO -0.04 1.15 -0.22 0.40 -0.53 0.00 0.00 176.83 177.59 2oa5 h ILE 52 N 0.75 1.38 -0.22 2.23 2.04 -1.03 -2.36 117.51 120.30 2oa5 h ILE 52 Ca 0.09 -1.49 -0.00 0.00 1.00 0.00 0.00 64.86 64.47 2oa5 h ILE 52 Cb 0.80 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 2oa5 h ILE 52 CO 0.07 0.43 0.13 0.40 0.00 0.00 0.00 178.15 179.18 2oa5 h ILE 53 N -0.07 1.09 -0.32 -0.67 2.04 -1.08 -0.23 117.51 118.27 2oa5 h ILE 53 Ca 0.01 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 2oa5 h ILE 53 Cb 0.80 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2oa5 h ILE 53 CO 0.05 0.09 0.12 0.58 0.00 0.00 0.00 178.15 178.99 2oa5 h VAL 54 N 0.26 1.19 -1.00 1.67 2.07 -1.32 0.11 116.25 119.23 2oa5 h VAL 54 Ca 0.08 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.02 2oa5 h VAL 54 Cb 0.03 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 2oa5 h VAL 54 CO -0.01 0.21 0.66 -1.28 0.02 0.00 0.00 177.57 177.16 2oa5 h SER 55 N 0.36 1.13 -0.05 0.57 0.87 -1.27 0.38 113.55 115.55 2oa5 h SER 55 Ca 0.11 -0.03 -0.21 0.00 -1.23 0.00 0.00 61.79 60.43 2oa5 h SER 55 Cb 0.21 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2oa5 h SER 55 CO -0.01 0.81 -0.73 0.28 -0.53 0.00 0.00 176.83 176.65 2oa5 h SER 56 N 1.33 0.82 -0.68 6.23 0.02 -0.83 -2.41 113.55 118.03 2oa5 h SER 56 Ca 0.37 -0.52 -0.08 0.00 -0.84 0.00 0.00 61.79 60.72 2oa5 h SER 56 Cb -0.13 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.15 2oa5 h SER 56 CO -0.09 1.30 0.12 0.28 -1.14 0.00 0.00 176.83 177.30 2oa5 h SER 57 N 0.48 1.07 -0.12 3.07 0.02 -0.34 -1.69 113.55 116.04 2oa5 h SER 57 Ca -0.04 -0.26 -0.07 0.00 -0.84 0.00 0.00 61.79 60.59 2oa5 h SER 57 Cb 1.34 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 2oa5 h SER 57 CO 0.15 1.05 -0.12 0.03 -1.14 0.00 0.00 176.83 176.79 2oa5 h ARG 58 N 1.04 0.47 -0.39 3.45 3.08 -0.88 0.26 114.38 121.40 2oa5 h ARG 58 Ca 0.21 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 2oa5 h ARG 58 Cb 0.43 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2oa5 h ARG 58 CO 0.01 0.59 -0.13 0.00 -1.07 0.00 0.00 179.97 179.37 2oa5 h ALA 59 N 1.44 0.55 -0.25 0.04 0.00 -1.00 -1.75 119.26 118.28 2oa5 h ALA 59 Ca 0.08 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 2oa5 h ALA 59 Cb 0.48 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2oa5 h ALA 59 CO 0.03 0.44 -0.35 -0.07 0.00 0.00 0.00 179.25 179.30 2oa5 h LEU 60 N 0.59 0.57 -0.48 0.00 3.38 -1.03 -2.84 115.31 115.50 2oa5 h LEU 60 Ca 0.10 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.85 2oa5 h LEU 60 Cb 0.66 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2oa5 h LEU 60 CO 0.05 0.88 0.30 1.23 0.09 0.00 0.00 178.44 180.98 2oa5 h GLY 61 N 1.05 0.67 1.52 0.83 0.00 -0.69 -0.67 103.07 105.78 2oa5 h GLY 61 Ca 0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 2oa5 h GLY 61 CO 0.07 0.20 0.30 0.00 0.00 0.00 0.00 176.54 177.11 2oa5 h ALA 62 N 1.20 1.62 -0.14 3.60 0.00 -1.14 -2.26 119.26 122.14 2oa5 h ALA 62 Ca 0.19 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2oa5 h ALA 62 Cb -0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2oa5 h ALA 62 CO -0.07 0.34 -0.14 0.28 0.00 0.00 0.00 179.25 179.66 2oa5 h VAL 63 N 0.66 1.35 0.00 0.00 2.07 -1.16 -2.19 116.25 116.98 2oa5 h VAL 63 Ca 0.17 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.40 2oa5 h VAL 63 Cb -0.04 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2oa5 h VAL 63 CO -0.03 0.38 0.00 0.00 0.02 0.00 0.00 177.57 177.93 2oa5 n ALA 64 N -2.42 1.51 0.00 1.67 0.00 -0.32 -2.08 120.51 118.87 2oa5 n ALA 64 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2oa5 n ALA 64 Cb 0.36 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.81 2oa5 n ALA 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2oa5 n ARG 66 N 0.99 0.00 -0.30 0.00 0.63 -0.83 -0.57 116.66 116.59 2oa5 n ARG 66 Ca 0.00 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 2oa5 n ARG 66 Cb 0.01 0.00 0.07 0.00 0.45 0.00 0.00 32.46 32.99 2oa5 n ARG 66 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2oa5 h LYS 67 N 0.00 1.14 -0.27 -0.14 1.57 -1.71 -2.70 116.57 114.45 2oa5 h LYS 67 Ca 0.00 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 2oa5 h LYS 67 Cb 0.00 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 2oa5 h LYS 67 CO 0.00 0.84 0.14 0.82 -0.57 0.00 0.00 179.45 180.69 2oa5 h ILE 68 N 1.13 1.13 -0.68 1.86 2.04 -1.10 -2.50 117.51 119.40 2oa5 h ILE 68 Ca 0.28 -0.36 0.05 0.00 1.00 0.00 0.00 64.86 65.84 2oa5 h ILE 68 Cb 0.05 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 2oa5 h ILE 68 CO -0.04 0.13 0.39 -0.08 0.00 0.00 0.00 178.15 178.54 2oa5 h GLU 69 N 0.32 0.70 -0.48 2.37 4.81 -1.78 -0.71 114.58 119.82 2oa5 h GLU 69 Ca 0.09 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.34 2oa5 h GLU 69 Cb 0.08 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 2oa5 h GLU 69 CO -0.01 0.46 0.19 0.00 -0.73 0.00 0.00 179.01 178.92 2oa5 h ALA 70 N 1.34 0.59 -0.11 2.92 0.00 -1.22 0.27 119.26 123.05 2oa5 h ALA 70 Ca 0.30 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 2oa5 h ALA 70 Cb 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2oa5 h ALA 70 CO -0.17 -0.20 -0.51 0.87 0.00 0.00 0.00 179.25 179.24 2oa5 h LYS 71 N 0.37 0.30 -0.28 0.00 1.57 -1.00 -1.31 116.57 116.23 2oa5 h LYS 71 Ca 0.22 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 2oa5 h LYS 71 Cb 0.21 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2oa5 h LYS 71 CO -0.21 0.74 -0.19 0.28 -0.57 0.00 0.00 179.45 179.51 2oa5 h VAL 72 N 0.24 1.30 -0.53 0.50 2.07 -0.57 -0.66 116.25 118.60 2oa5 h VAL 72 Ca 0.01 -1.31 0.05 0.00 0.82 0.00 0.00 66.70 66.26 2oa5 h VAL 72 Cb 0.98 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 2oa5 h VAL 72 CO 0.08 0.42 0.27 0.03 0.02 0.00 0.00 177.57 178.39 2oa5 h ARG 73 N 0.36 0.50 -0.38 1.57 3.08 -0.25 0.28 114.38 119.54 2oa5 h ARG 73 Ca 0.06 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2oa5 h ARG 73 Cb 0.72 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 2oa5 h ARG 73 CO 0.05 0.33 0.22 1.03 -1.07 0.00 0.00 179.97 180.53 2oa5 h SER 74 N 0.52 0.47 -0.36 7.04 0.87 -1.06 -2.42 113.55 118.61 2oa5 h SER 74 Ca 0.23 -0.08 -0.11 0.00 -1.23 0.00 0.00 61.79 60.60 2oa5 h SER 74 Cb 0.15 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2oa5 h SER 74 CO -0.16 0.41 -0.18 0.03 -0.53 0.00 0.00 176.83 176.40 2oa5 h ARG 75 N 0.49 0.84 0.00 2.24 -0.00 -0.57 -2.72 114.38 114.66 2oa5 h ARG 75 Ca 0.14 -0.32 0.00 0.00 -0.50 0.00 0.00 59.98 59.29 2oa5 h ARG 75 Cb 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 29.96 2oa5 h ARG 75 CO -0.02 0.96 0.00 0.00 0.00 0.00 0.00 179.97 180.90 2oa5 n ALA 76 N -2.50 1.71 -0.04 0.04 0.00 0.93 -2.92 120.51 117.74 2oa5 n ALA 76 Ca 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.37 2oa5 n ALA 76 Cb 0.42 -1.25 0.23 0.00 0.00 0.00 0.00 19.45 18.85 2oa5 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oa5 h ALA 77 N 2.54 1.24 0.00 0.00 0.00 -1.10 -3.00 119.26 118.93 2oa5 h ALA 77 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2oa5 h ALA 77 Cb 0.26 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2oa5 h ALA 77 CO 0.00 0.50 -0.11 0.87 0.00 0.00 0.00 179.25 180.51 2oa5 h LYS 78 N 0.58 0.00 -6.51 0.00 6.56 -1.71 -3.45 116.57 112.04 2oa5 h LYS 78 Ca 0.12 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.18 2oa5 h LYS 78 Cb 0.42 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.05 2oa5 h LYS 78 CO 0.02 0.11 0.05 0.00 -2.06 0.00 0.00 179.45 177.58 2oa5 s ALA 79 N -3.55 3.45 0.00 3.86 0.00 -1.14 -4.96 121.76 119.43 2oa5 s ALA 79 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2oa5 s ALA 79 Cb 0.09 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.48 2oa5 s ALA 79 CO 0.61 0.36 0.00 1.33 0.00 0.00 0.00 175.76 178.06 2oa5 n VAL 80 N 0.64 0.00 -4.46 0.00 0.24 -1.26 -4.94 118.33 108.55 2oa5 n VAL 80 Ca -0.03 -0.23 -0.23 0.00 -2.04 0.00 0.00 64.34 61.82 2oa5 n VAL 80 Cb 0.51 0.91 -0.10 0.00 -1.47 0.00 0.00 33.84 33.69 2oa5 n VAL 80 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2oa5 s THR 81 N -0.58 2.03 0.06 3.34 -4.23 -1.26 -5.05 115.64 109.96 2oa5 s THR 81 Ca 0.00 -2.23 -0.27 0.00 -1.18 0.00 0.00 61.69 58.01 2oa5 s THR 81 Cb 0.00 -2.41 -0.17 0.00 1.34 0.00 0.00 72.50 71.26 2oa5 s THR 81 CO 0.00 -0.34 1.59 -0.33 -0.54 0.00 0.00 174.62 175.00 2oa5 h GLU 82 N 2.24 -0.40 -0.96 3.99 5.08 -1.99 -1.80 114.58 120.74 2oa5 h GLU 82 Ca -0.40 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.14 2oa5 h GLU 82 Cb 1.24 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 30.50 2oa5 h GLU 82 CO 0.66 -0.21 0.61 1.96 -1.00 0.00 0.00 179.01 181.02 2oa5 h GLN 83 N -0.50 0.74 -0.12 2.33 4.20 -1.99 -0.20 115.11 119.57 2oa5 h GLN 83 Ca -0.04 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 2oa5 h GLN 83 Cb 0.37 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 2oa5 h GLN 83 CO 0.07 0.49 -0.04 0.93 -0.67 0.00 0.00 178.83 179.61 2oa5 h GLU 84 N 0.77 0.24 -0.82 1.46 5.08 -1.90 -2.32 114.58 117.09 2oa5 h GLU 84 Ca 0.51 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.73 2oa5 h GLU 84 Cb 0.77 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 2oa5 h GLU 84 CO -0.27 0.56 0.36 1.25 -1.00 0.00 0.00 179.01 179.91 2oa5 h LEU 85 N -0.09 1.10 0.07 1.33 5.85 -0.57 -0.78 115.31 122.23 2oa5 h LEU 85 Ca 0.03 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 2oa5 h LEU 85 Cb 0.48 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.22 2oa5 h LEU 85 CO 0.01 0.95 -0.03 0.74 -0.34 0.00 0.00 178.44 179.77 2oa5 h THR 86 N 1.19 1.03 -0.86 1.05 2.02 -1.05 0.10 112.91 116.38 2oa5 h THR 86 Ca 0.28 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2oa5 h THR 86 Cb 0.16 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 2oa5 h THR 86 CO -0.03 0.08 0.55 -1.28 0.37 0.00 0.00 175.52 175.22 2oa5 h SER 87 N -0.25 1.00 -0.25 4.18 0.87 -1.30 0.09 113.55 117.90 2oa5 h SER 87 Ca -0.01 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 2oa5 h SER 87 Cb 0.21 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2oa5 h SER 87 CO 0.02 0.74 0.03 0.25 -0.53 0.00 0.00 176.83 177.34 2oa5 h LEU 88 N 1.17 0.40 -0.61 2.23 6.46 -0.80 -3.15 115.31 121.01 2oa5 h LEU 88 Ca 0.31 -0.27 -0.15 0.00 -0.12 0.00 0.00 57.88 57.66 2oa5 h LEU 88 Cb -0.11 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 39.71 2oa5 h LEU 88 CO -0.06 0.56 -0.53 -0.07 -0.62 0.00 0.00 178.44 177.72 2oa5 h LEU 89 N 0.22 0.50 -1.05 2.25 3.38 -0.45 -3.07 115.31 117.08 2oa5 h LEU 89 Ca 0.07 -0.26 0.12 0.00 0.09 0.00 0.00 57.88 57.91 2oa5 h LEU 89 Cb 0.34 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.87 2oa5 h LEU 89 CO 0.01 0.93 0.62 -0.61 0.09 0.00 0.00 178.44 179.48 2oa5 h GLN 90 N 0.35 0.93 -0.04 1.13 4.15 -0.94 -1.08 115.11 119.61 2oa5 h GLN 90 Ca 0.01 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2oa5 h GLN 90 Cb 1.04 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.52 2oa5 h GLN 90 CO 0.09 0.62 0.00 -1.13 -1.93 0.00 0.00 178.83 176.48 2oa5 n SER 91 N -4.60 2.40 -4.73 -0.69 3.41 -1.23 -4.97 113.62 103.20 2oa5 n SER 91 Ca 0.18 -1.80 -0.42 0.00 -0.26 0.00 0.00 58.87 56.58 2oa5 n SER 91 Cb 0.36 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.28 2oa5 n SER 91 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2oa5 n LEU 92 N 0.87 4.19 -3.73 1.04 7.94 -0.41 -5.01 117.00 121.89 2oa5 n LEU 92 Ca 0.16 1.11 -0.17 0.00 -1.11 0.00 0.00 56.01 56.00 2oa5 n LEU 92 Cb 0.50 -1.58 -0.17 0.00 0.53 0.00 0.00 43.42 42.69 2oa5 n LEU 92 CO 0.16 0.16 -0.35 -0.89 -1.11 0.00 0.00 177.39 175.36 2oa5 s THR 93 N 0.52 -0.07 0.20 1.96 2.01 -1.26 -5.07 115.64 113.93 2oa5 s THR 93 Ca 0.69 0.31 0.11 0.00 0.31 0.00 0.00 61.69 63.11 2oa5 s THR 93 Cb -0.50 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 2oa5 s THR 93 CO 0.41 0.13 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.49 2oa5 s LEU 94 N 1.56 2.46 -0.05 4.42 1.43 -1.26 -5.13 118.68 122.11 2oa5 s LEU 94 Ca -0.03 -0.89 0.05 0.00 -1.03 0.00 0.00 54.13 52.24 2oa5 s LEU 94 Cb -0.13 -1.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 2oa5 s LEU 94 CO -0.03 0.09 -0.21 -0.60 0.23 0.00 0.00 176.35 175.83 2oa5 s ARG 95 N -2.80 2.09 -0.03 1.70 3.52 -1.26 -5.12 118.95 117.06 2oa5 s ARG 95 Ca 0.21 -0.76 0.02 0.00 -0.13 0.00 0.00 55.73 55.08 2oa5 s ARG 95 Cb -0.07 -1.82 0.00 0.00 -1.56 0.00 0.00 34.95 31.50 2oa5 s ARG 95 CO 0.10 0.33 -0.09 0.08 -0.81 0.00 0.00 175.30 174.92 2oa5 s VAL 96 N -0.13 0.76 -0.04 7.11 1.01 -1.26 -5.06 120.40 122.78 2oa5 s VAL 96 Ca -0.02 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2oa5 s VAL 96 Cb -0.12 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 2oa5 s VAL 96 CO 0.02 0.24 -0.03 -1.81 0.00 0.00 0.00 175.10 173.52 2oa5 s ASP 97 N 0.25 4.90 -0.09 3.32 1.01 -1.26 -5.11 116.67 119.69 2oa5 s ASP 97 Ca -0.04 -0.00 -0.11 0.00 0.71 0.00 0.00 52.55 53.11 2oa5 s ASP 97 Cb -0.09 -1.26 0.03 0.00 1.01 0.00 0.00 42.92 42.60 2oa5 s ASP 97 CO 0.00 0.33 0.29 0.68 0.21 0.00 0.00 175.17 176.69 2oa5 s VAL 98 N -0.93 0.01 0.00 -1.27 -7.23 -1.26 -4.88 120.40 104.85 2oa5 s VAL 98 Ca 0.15 -0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.20 2oa5 s VAL 98 Cb -0.11 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.37 2oa5 s VAL 98 CO 0.05 -0.07 0.00 -1.20 -0.31 0.00 0.00 175.10 173.57 2oa5 n SER 99 N 2.55 0.04 0.00 4.85 7.64 -1.26 -5.07 113.62 122.37 2oa5 n SER 99 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 2oa5 n SER 99 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 2oa5 n SER 99 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2oa5 n GLU 101 N 0.00 0.00 0.00 1.43 1.02 -1.26 -4.98 120.64 116.86 2oa5 n GLU 101 Ca 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.21 2oa5 n GLU 101 Cb 0.00 -0.25 0.42 0.00 -0.02 0.00 0.00 31.44 31.59 2oa5 n GLU 101 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70