#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ov6 s GLU 2 N 0.00 2.17 -0.18 3.17 -1.05 -1.26 -4.82 118.70 116.73 2ov6 s GLU 2 Ca 0.00 -2.38 -0.01 0.00 -0.15 0.00 0.00 54.97 52.43 2ov6 s GLU 2 Cb 0.00 -1.51 -0.00 0.00 -0.44 0.00 0.00 34.13 32.18 2ov6 s GLU 2 CO 0.00 -0.34 -0.12 -1.17 0.95 0.00 0.00 175.26 174.58 2ov6 s LEU 3 N -3.86 2.58 -0.10 1.83 0.20 -1.26 -1.60 118.68 116.48 2ov6 s LEU 3 Ca 0.08 -0.47 0.02 0.00 0.69 0.00 0.00 54.13 54.46 2ov6 s LEU 3 Cb 0.02 -1.62 0.01 0.00 -0.43 0.00 0.00 46.19 44.18 2ov6 s LEU 3 CO 0.04 0.03 -0.16 0.00 -0.29 0.00 0.00 176.35 175.98 2ov6 s ALA 4 N 1.15 1.66 0.07 5.97 0.00 -0.70 -1.50 121.76 128.41 2ov6 s ALA 4 Ca 0.01 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.33 2ov6 s ALA 4 Cb -0.14 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 2ov6 s ALA 4 CO -0.04 0.03 -0.14 0.08 0.00 0.00 0.00 175.76 175.69 2ov6 s VAL 5 N 0.81 1.10 -0.26 0.00 1.01 0.11 0.11 120.40 123.27 2ov6 s VAL 5 Ca -0.10 -1.34 -0.01 0.00 0.00 0.00 0.00 61.98 60.52 2ov6 s VAL 5 Cb -0.16 -1.10 0.08 0.00 0.00 0.00 0.00 36.38 35.21 2ov6 s VAL 5 CO 0.01 -0.25 0.06 -0.63 0.00 0.00 0.00 175.10 174.29 2ov6 s ILE 6 N -1.37 0.82 0.00 2.22 1.01 0.25 0.05 121.20 124.18 2ov6 s ILE 6 Ca -0.01 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.54 2ov6 s ILE 6 Cb -0.09 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 40.91 2ov6 s ILE 6 CO 0.02 -0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.12 2ov6 n GLY 7 N 4.90 4.98 1.66 6.18 0.00 -0.80 -1.94 105.19 120.17 2ov6 n GLY 7 Ca -0.06 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 2ov6 n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2ov6 n LYS 8 N 0.00 1.22 0.19 1.61 2.85 -1.26 -0.09 118.16 122.68 2ov6 n LYS 8 Ca 0.00 -1.55 0.04 0.00 -1.05 0.00 0.00 58.31 55.75 2ov6 n LYS 8 Cb 0.00 0.24 0.38 0.00 -0.65 0.00 0.00 35.03 34.99 2ov6 n LYS 8 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2ov6 h SER 9 N 0.36 0.00 0.54 -5.58 4.64 -1.90 -2.56 113.55 109.05 2ov6 h SER 9 Ca -0.16 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.97 2ov6 h SER 9 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 2ov6 h SER 9 CO 0.26 0.37 -0.80 -0.33 -0.87 0.00 0.00 176.83 175.46 2ov6 h GLU 10 N 0.00 0.20 0.19 4.77 4.39 -1.96 -3.06 114.58 119.09 2ov6 h GLU 10 Ca -0.00 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 2ov6 h GLU 10 Cb 0.73 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2ov6 h GLU 10 CO 0.05 0.90 -0.09 0.74 -1.16 0.00 0.00 179.01 179.45 2ov6 h PHE 11 N 0.12 -0.23 -0.82 4.33 0.04 -1.87 -3.25 116.94 115.26 2ov6 h PHE 11 Ca -0.03 -0.01 0.16 0.00 2.80 0.00 0.00 57.97 60.90 2ov6 h PHE 11 Cb 1.40 0.08 -0.10 0.00 2.20 0.00 0.00 35.95 39.52 2ov6 h PHE 11 CO 0.03 0.18 0.36 -0.39 -0.60 0.00 0.00 178.31 177.89 2ov6 h VAL 12 N -0.77 0.62 -0.98 -0.55 -1.51 -1.56 0.17 116.25 111.67 2ov6 h VAL 12 Ca -0.03 -0.17 0.27 0.00 -1.23 0.00 0.00 66.70 65.54 2ov6 h VAL 12 Cb 0.51 0.10 -0.06 0.00 -2.13 0.00 0.00 31.29 29.72 2ov6 h VAL 12 CO 0.04 0.09 0.68 0.74 -1.23 0.00 0.00 177.57 177.89 2ov6 h THR 13 N 0.48 0.54 -0.32 7.19 2.02 -1.56 0.17 112.91 121.44 2ov6 h THR 13 Ca 0.47 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.58 2ov6 h THR 13 Cb 0.75 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 2ov6 h THR 13 CO -0.43 0.03 0.15 1.23 0.37 0.00 0.00 175.52 176.87 2ov6 h GLY 14 N 0.16 0.49 0.91 2.16 0.00 -0.72 -3.14 103.07 102.93 2ov6 h GLY 14 Ca 0.49 -0.24 -0.15 0.00 0.00 0.00 0.00 47.33 47.43 2ov6 h GLY 14 CO -0.10 0.23 -0.51 0.27 0.00 0.00 0.00 176.54 176.43 2ov6 h PHE 15 N 0.37 0.75 -1.68 5.60 -5.15 -1.09 -3.17 116.94 112.57 2ov6 h PHE 15 Ca 0.11 -0.32 0.50 0.00 -0.20 0.00 0.00 57.97 58.05 2ov6 h PHE 15 Cb 0.12 -0.12 -0.08 0.00 0.22 0.00 0.00 35.95 36.09 2ov6 h PHE 15 CO -0.02 1.10 1.19 0.00 -2.00 0.00 0.00 178.31 178.58 2ov6 h ARG 16 N 0.18 0.02 0.03 6.09 3.08 -1.12 0.90 114.38 123.56 2ov6 h ARG 16 Ca -0.03 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2ov6 h ARG 16 Cb 1.14 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2ov6 h ARG 16 CO 0.11 0.01 -0.01 1.25 -1.07 0.00 0.00 179.97 180.25 2ov6 h LEU 17 N 0.02 -0.03 0.00 3.04 5.85 -1.52 -3.04 115.31 119.63 2ov6 h LEU 17 Ca 0.83 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 59.51 2ov6 h LEU 17 Cb 3.21 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 44.25 2ov6 h LEU 17 CO -0.08 -0.01 -0.97 0.00 -0.34 0.00 0.00 178.44 177.05 2ov6 h ALA 18 N 0.92 0.57 0.00 1.25 0.00 -0.17 -3.47 119.26 118.36 2ov6 h ALA 18 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2ov6 h ALA 18 Cb 0.05 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2ov6 h ALA 18 CO 0.01 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.83 2ov6 n GLY 19 N 1.21 0.15 2.68 0.00 0.00 0.26 -4.89 105.19 104.59 2ov6 n GLY 19 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2ov6 n GLY 19 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ov6 n ILE 20 N -2.28 3.66 0.00 -0.61 5.41 -1.26 -4.92 119.36 119.36 2ov6 n ILE 20 Ca 0.00 -5.55 0.00 0.00 1.00 0.00 0.00 62.75 58.20 2ov6 n ILE 20 Cb 0.34 -1.97 0.00 0.00 -0.71 0.00 0.00 39.64 37.30 2ov6 n ILE 20 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2ov6 n SER 21 N 0.78 0.00 -4.56 4.38 7.64 -1.26 -5.02 113.62 115.59 2ov6 n SER 21 Ca 0.30 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.79 2ov6 n SER 21 Cb 0.37 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.54 2ov6 n SER 21 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2ov6 s LYS 22 N 0.00 3.29 -0.02 1.43 3.01 -0.56 -4.78 119.74 122.11 2ov6 s LYS 22 Ca 0.00 -0.65 0.03 0.00 -1.01 0.00 0.00 55.97 54.34 2ov6 s LYS 22 Cb 0.00 -4.90 -0.03 0.00 -1.01 0.00 0.00 37.83 31.88 2ov6 s LYS 22 CO 0.00 -2.36 -0.08 0.08 0.51 0.00 0.00 175.35 173.50 2ov6 s VAL 23 N 6.05 3.55 0.49 3.17 1.01 -1.26 0.04 120.40 133.45 2ov6 s VAL 23 Ca 0.47 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.80 2ov6 s VAL 23 Cb -0.04 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.85 2ov6 s VAL 23 CO 0.01 0.47 0.33 -0.31 0.00 0.00 0.00 175.10 175.60 2ov6 s TYR 24 N -0.91 2.03 -0.22 5.22 2.02 0.11 -4.88 117.35 120.71 2ov6 s TYR 24 Ca 0.15 -0.74 -0.03 0.00 -0.37 0.00 0.00 57.07 56.08 2ov6 s TYR 24 Cb -0.11 -1.95 0.07 0.00 -0.40 0.00 0.00 41.96 39.57 2ov6 s TYR 24 CO 0.05 -0.24 0.06 -2.00 -1.57 0.00 0.00 175.55 171.85 2ov6 s GLU 25 N -4.16 0.54 -0.57 -0.62 -6.30 -1.26 -1.90 118.70 104.44 2ov6 s GLU 25 Ca 0.36 -0.49 0.04 0.00 -2.50 0.00 0.00 54.97 52.38 2ov6 s GLU 25 Cb -0.01 -1.95 0.14 0.00 0.00 0.00 0.00 34.13 32.31 2ov6 s GLU 25 CO 0.22 -0.74 0.34 0.95 0.02 0.00 0.00 175.26 176.04 2ov6 s THR 26 N 1.88 2.47 0.25 -1.70 -4.23 0.87 -4.88 115.64 110.30 2ov6 s THR 26 Ca 0.02 -3.52 0.02 0.00 -1.18 0.00 0.00 61.69 57.03 2ov6 s THR 26 Cb -0.17 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 70.99 2ov6 s THR 26 CO -0.14 -0.89 1.62 1.55 -0.54 0.00 0.00 174.62 176.22 2ov6 h PRO 27 N 6.14 0.39 -6.20 3.99 0.13 -1.96 -3.45 132.00 131.04 2ov6 h PRO 27 Ca 0.01 -0.20 -0.55 0.00 -0.87 0.00 0.00 66.00 64.39 2ov6 h PRO 27 Cb 0.85 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.96 2ov6 h PRO 27 CO 0.66 0.76 -0.33 -0.51 -0.23 0.00 0.00 178.00 178.36 2ov6 s ASP 28 N -6.87 6.41 0.12 1.44 1.01 -1.26 -5.02 116.67 112.50 2ov6 s ASP 28 Ca -0.06 0.45 -0.14 0.00 0.71 0.00 0.00 52.55 53.52 2ov6 s ASP 28 Cb 0.13 -2.03 -0.05 0.00 1.01 0.00 0.00 42.92 41.97 2ov6 s ASP 28 CO 0.80 -0.01 1.48 -0.29 0.21 0.00 0.00 175.17 177.36 2ov6 h ILE 29 N 1.71 1.29 -0.33 0.77 2.10 -1.91 -3.08 117.51 118.04 2ov6 h ILE 29 Ca -0.47 -1.32 -0.15 0.00 1.08 0.00 0.00 64.86 64.00 2ov6 h ILE 29 Cb 1.18 1.38 -0.01 0.00 -1.09 0.00 0.00 36.82 38.29 2ov6 h ILE 29 CO 0.70 0.43 -0.39 1.55 -1.08 0.00 0.00 178.15 179.36 2ov6 h PRO 30 N 0.53 0.81 0.00 2.19 0.13 -1.97 -2.91 132.00 130.77 2ov6 h PRO 30 Ca 0.08 -0.42 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2ov6 h PRO 30 Cb 0.74 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 2ov6 h PRO 30 CO 0.06 1.05 -0.02 0.00 -0.23 0.00 0.00 178.00 178.86 2ov6 h ALA 31 N 0.89 1.15 -0.83 -0.56 0.00 -1.95 -2.41 119.26 115.54 2ov6 h ALA 31 Ca 0.05 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.09 2ov6 h ALA 31 Cb 0.96 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 2ov6 h ALA 31 CO 0.09 0.03 0.54 1.15 0.00 0.00 0.00 179.25 181.06 2ov6 h THR 32 N 0.00 0.83 -0.26 0.00 2.02 -1.42 0.92 112.91 115.00 2ov6 h THR 32 Ca -0.00 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.01 2ov6 h THR 32 Cb 0.13 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 2ov6 h THR 32 CO 0.00 0.11 0.18 1.05 0.37 0.00 0.00 175.52 177.23 2ov6 h GLU 33 N 0.59 0.24 -0.48 6.66 4.11 -1.62 -1.95 114.58 122.12 2ov6 h GLU 33 Ca 0.41 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.79 2ov6 h GLU 33 Cb 0.75 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 2ov6 h GLU 33 CO -0.17 0.16 0.18 1.03 0.07 0.00 0.00 179.01 180.28 2ov6 h SER 34 N 0.25 0.68 0.50 3.06 0.87 -0.99 -2.45 113.55 115.47 2ov6 h SER 34 Ca 0.11 -0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.43 2ov6 h SER 34 Cb 0.13 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2ov6 h SER 34 CO -0.02 0.68 -0.26 0.00 -0.53 0.00 0.00 176.83 176.70 2ov6 h ALA 35 N 1.03 1.25 0.00 6.23 0.00 -1.38 -2.54 119.26 123.85 2ov6 h ALA 35 Ca 0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2ov6 h ALA 35 Cb 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2ov6 h ALA 35 CO -0.01 0.33 -0.19 0.28 0.00 0.00 0.00 179.25 179.66 2ov6 h VAL 36 N 0.00 0.91 -0.95 0.00 2.07 -1.01 -2.62 116.25 114.65 2ov6 h VAL 36 Ca -0.00 -0.71 0.20 0.00 0.82 0.00 0.00 66.70 67.01 2ov6 h VAL 36 Cb 0.58 1.41 -0.08 0.00 -1.52 0.00 0.00 31.29 31.68 2ov6 h VAL 36 CO 0.03 0.19 0.61 0.08 0.02 0.00 0.00 177.57 178.50 2ov6 h ARG 37 N 0.00 0.55 0.07 1.57 0.11 -1.38 0.29 114.38 115.59 2ov6 h ARG 37 Ca -0.00 -0.03 -0.32 0.00 0.10 0.00 0.00 59.98 59.72 2ov6 h ARG 37 Cb 0.39 -0.12 -0.03 0.00 1.11 0.00 0.00 29.97 31.32 2ov6 h ARG 37 CO 0.02 0.36 -1.78 0.77 0.10 0.00 0.00 179.97 179.44 2ov6 h SER 38 N 0.56 0.24 -0.62 0.08 0.02 -1.66 -3.37 113.55 108.80 2ov6 h SER 38 Ca 0.51 -0.49 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 2ov6 h SER 38 Cb 1.05 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 2ov6 h SER 38 CO -0.25 1.43 0.29 0.58 -1.14 0.00 0.00 176.83 177.73 2ov6 h VAL 39 N 0.04 1.22 -1.06 2.27 2.07 -1.00 0.32 116.25 120.11 2ov6 h VAL 39 Ca -0.33 -0.64 0.30 0.00 0.82 0.00 0.00 66.70 66.85 2ov6 h VAL 39 Cb 2.02 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 32.24 2ov6 h VAL 39 CO 0.10 0.26 0.76 0.17 0.02 0.00 0.00 177.57 178.87 2ov6 h LEU 40 N 0.86 0.03 0.00 2.57 8.10 -0.64 0.41 115.31 126.64 2ov6 h LEU 40 Ca 0.21 0.01 0.00 0.00 0.11 0.00 0.00 57.88 58.21 2ov6 h LEU 40 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.36 2ov6 h LEU 40 CO -0.02 0.01 -1.35 -1.84 -4.11 0.00 0.00 178.44 171.12 2ov6 n GLU 41 N -4.25 1.02 0.17 0.17 0.28 -0.87 -4.36 120.64 112.80 2ov6 n GLU 41 Ca 0.23 -0.09 0.09 0.00 -0.16 0.00 0.00 57.16 57.22 2ov6 n GLU 41 Cb 1.10 -1.32 0.09 0.00 1.43 0.00 0.00 31.44 32.74 2ov6 n GLU 41 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2ov6 h ASP 42 N 0.00 0.00 0.50 -1.84 1.82 0.32 -3.25 116.42 113.97 2ov6 h ASP 42 Ca 0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.61 2ov6 h ASP 42 Cb 0.59 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.60 2ov6 h ASP 42 CO 0.00 0.16 -0.16 0.07 -1.61 0.00 0.00 179.24 177.70 2ov6 h LYS 43 N 0.00 0.00 -0.59 0.28 5.09 -0.58 -1.65 116.57 119.12 2ov6 h LYS 43 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.73 2ov6 h LYS 43 Cb 1.13 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.46 2ov6 h LYS 43 CO 0.02 0.16 0.00 0.45 -2.09 0.00 0.00 179.45 177.99 2ov6 n SER 44 N -3.60 3.31 0.00 7.07 2.88 -1.22 -4.48 113.62 117.58 2ov6 n SER 44 Ca -0.01 -2.15 0.00 0.00 -1.33 0.00 0.00 58.87 55.38 2ov6 n SER 44 Cb 0.29 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 2ov6 n SER 44 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2ov6 n VAL 45 N 1.00 0.00 0.00 2.46 0.31 -0.63 -5.08 118.33 116.39 2ov6 n VAL 45 Ca 0.19 0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.90 2ov6 n VAL 45 Cb 0.57 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.13 2ov6 n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ov6 n GLY 46 N 1.98 4.34 3.74 2.92 0.00 -1.19 -4.00 105.19 112.98 2ov6 n GLY 46 Ca 0.00 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 2ov6 n GLY 46 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ov6 s ILE 47 N 3.58 4.54 0.19 -0.61 2.07 -0.62 -4.82 121.20 125.52 2ov6 s ILE 47 Ca 0.00 -0.41 0.08 0.00 -1.41 0.00 0.00 60.65 58.91 2ov6 s ILE 47 Cb 0.00 -3.03 -0.04 0.00 0.13 0.00 0.00 42.46 39.52 2ov6 s ILE 47 CO 0.00 0.41 0.02 -0.76 -1.91 0.00 0.00 174.94 172.70 2ov6 s LEU 48 N -1.51 3.36 -0.18 8.50 1.02 -0.35 -1.72 118.68 127.80 2ov6 s LEU 48 Ca 0.20 -0.41 -0.06 0.00 0.02 0.00 0.00 54.13 53.88 2ov6 s LEU 48 Cb -0.12 -1.98 0.08 0.00 0.02 0.00 0.00 46.19 44.20 2ov6 s LEU 48 CO 0.10 0.06 0.36 -0.69 0.02 0.00 0.00 176.35 176.21 2ov6 s VAL 49 N -1.86 -0.56 0.31 -1.59 1.01 0.12 -1.61 120.40 116.21 2ov6 s VAL 49 Ca 0.29 0.19 0.11 0.00 0.00 0.00 0.00 61.98 62.56 2ov6 s VAL 49 Cb -0.09 -0.60 -0.06 0.00 0.00 0.00 0.00 36.38 35.64 2ov6 s VAL 49 CO 0.19 0.07 -0.15 -0.04 0.00 0.00 0.00 175.10 175.18 2ov6 s MET 50 N 2.54 1.77 -0.14 2.72 -1.94 0.19 0.88 119.30 125.32 2ov6 s MET 50 Ca 0.00 -1.82 -0.04 0.00 -1.71 0.00 0.00 55.69 52.13 2ov6 s MET 50 Cb -0.12 -1.77 -0.03 0.00 2.01 0.00 0.00 34.83 34.92 2ov6 s MET 50 CO -0.11 0.26 -0.01 -1.01 -0.01 0.00 0.00 175.02 174.14 2ov6 s HIS 51 N -2.54 3.11 -0.98 -0.03 3.76 -0.82 0.18 115.29 117.98 2ov6 s HIS 51 Ca 0.31 -0.06 0.07 0.00 -0.15 0.00 0.00 55.06 55.23 2ov6 s HIS 51 Cb -0.02 -1.92 0.30 0.00 1.11 0.00 0.00 32.58 32.05 2ov6 s HIS 51 CO 0.16 0.17 1.22 -1.71 -0.85 0.00 0.00 174.74 173.73 2ov6 n ASN 52 N 3.07 0.02 0.00 1.40 4.05 -0.19 -1.94 115.26 121.68 2ov6 n ASN 52 Ca -0.18 0.51 0.06 0.00 0.45 0.00 0.00 54.58 55.42 2ov6 n ASN 52 Cb 0.53 -0.51 0.32 0.00 1.23 0.00 0.00 39.78 41.35 2ov6 n ASN 52 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2ov6 n ASP 53 N -1.52 0.00 0.00 1.20 8.00 -1.26 -1.72 116.55 121.25 2ov6 n ASP 53 Ca 0.02 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.56 2ov6 n ASP 53 Cb 0.08 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 2ov6 n ASP 53 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2ov6 n ASP 54 N -1.25 1.56 -0.06 -2.24 9.92 -0.82 -4.84 116.55 118.82 2ov6 n ASP 54 Ca 0.06 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.17 2ov6 n ASP 54 Cb 0.09 0.08 -0.06 0.00 -0.64 0.00 0.00 41.12 40.59 2ov6 n ASP 54 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2ov6 h ILE 55 N 0.00 1.30 -0.74 0.53 2.04 -1.52 -3.11 117.51 116.00 2ov6 h ILE 55 Ca 0.00 -1.74 0.22 0.00 1.00 0.00 0.00 64.86 64.33 2ov6 h ILE 55 Cb 0.35 1.82 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 2ov6 h ILE 55 CO 0.00 0.55 0.55 1.23 0.00 0.00 0.00 178.15 180.49 2ov6 h GLY 56 N 0.48 0.00 1.74 5.37 0.00 -1.60 0.24 103.07 109.30 2ov6 h GLY 56 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2ov6 h GLY 56 CO 0.12 0.00 0.12 3.43 0.00 0.00 0.00 176.54 180.20 2ov6 h ASN 57 N 0.00 0.00 -2.75 0.19 2.35 -1.76 -3.15 115.58 110.45 2ov6 h ASN 57 Ca 0.35 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.49 2ov6 h ASN 57 Cb 1.46 0.00 -0.42 0.00 0.05 0.00 0.00 38.32 39.41 2ov6 h ASN 57 CO -0.00 0.00 -0.61 0.18 -1.65 0.00 0.00 177.43 175.34 2ov6 n LEU 58 N -3.30 2.97 0.00 1.61 7.99 0.86 -4.98 117.00 122.15 2ov6 n LEU 58 Ca -0.02 -5.22 0.00 0.00 -0.01 0.00 0.00 56.01 50.76 2ov6 n LEU 58 Cb 0.19 -0.62 0.00 0.00 -0.11 0.00 0.00 43.42 42.89 2ov6 n LEU 58 CO 0.21 1.86 0.12 -0.81 -1.51 0.00 0.00 177.39 177.26 2ov6 n PRO 59 N 1.66 0.00 0.00 3.23 -0.04 -1.19 0.08 135.00 138.74 2ov6 n PRO 59 Ca 0.23 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.73 2ov6 n PRO 59 Cb 0.38 -0.73 0.18 0.00 -0.04 0.00 0.00 33.50 33.28 2ov6 n PRO 59 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2ov6 n GLU 60 N -0.48 0.00 -0.09 0.54 0.28 -1.26 0.74 120.64 120.37 2ov6 n GLU 60 Ca 0.00 0.37 -0.13 0.00 -0.16 0.00 0.00 57.16 57.23 2ov6 n GLU 60 Cb 0.00 -1.51 -0.06 0.00 1.43 0.00 0.00 31.44 31.31 2ov6 n GLU 60 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2ov6 n VAL 61 N -1.51 1.48 -0.04 3.84 0.31 -1.25 -4.42 118.33 116.73 2ov6 n VAL 61 Ca 0.02 0.06 -0.04 0.00 -0.01 0.00 0.00 64.34 64.37 2ov6 n VAL 61 Cb 0.09 -2.23 -0.01 0.00 -0.91 0.00 0.00 33.84 30.78 2ov6 n VAL 61 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2ov6 n LEU 62 N -4.49 0.88 -0.48 7.52 7.94 0.10 -3.65 117.00 124.81 2ov6 n LEU 62 Ca -0.21 0.20 0.39 0.00 -1.11 0.00 0.00 56.01 55.28 2ov6 n LEU 62 Cb 0.50 -0.62 0.69 0.00 0.53 0.00 0.00 43.42 44.52 2ov6 n LEU 62 CO 0.14 -0.41 1.30 0.03 -1.11 0.00 0.00 177.39 177.34 2ov6 h ARG 63 N -0.46 0.08 -0.02 1.96 2.47 0.13 0.68 114.38 119.22 2ov6 h ARG 63 Ca 0.00 -0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.62 2ov6 h ARG 63 Cb 0.42 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 28.73 2ov6 h ARG 63 CO 0.00 0.05 -0.36 -0.22 0.56 0.00 0.00 179.97 180.00 2ov6 h LYS 64 N 0.08 0.28 0.27 0.04 3.64 0.11 -1.97 116.57 119.02 2ov6 h LYS 64 Ca 0.80 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.89 2ov6 h LYS 64 Cb 2.73 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 34.63 2ov6 h LYS 64 CO -0.27 0.96 -0.13 -0.91 -2.27 0.00 0.00 179.45 176.83 2ov6 h ASN 65 N -0.30 -0.31 0.05 4.20 -0.26 0.05 -2.98 115.58 116.04 2ov6 h ASN 65 Ca -0.04 -0.18 -0.01 0.00 -0.56 0.00 0.00 56.30 55.51 2ov6 h ASN 65 Cb 1.07 0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 38.41 2ov6 h ASN 65 CO 0.07 0.03 -0.03 0.17 -1.06 0.00 0.00 177.43 176.61 2ov6 h LEU 66 N -0.67 0.00 -1.32 1.61 8.10 -0.40 -0.48 115.31 122.15 2ov6 h LEU 66 Ca -0.04 0.00 0.29 0.00 0.11 0.00 0.00 57.88 58.24 2ov6 h LEU 66 Cb 0.47 0.00 -0.10 0.00 -0.44 0.00 0.00 40.66 40.59 2ov6 h LEU 66 CO 0.06 0.03 0.68 -1.13 -4.11 0.00 0.00 178.44 173.97 2ov6 h ASN 67 N 0.00 0.45 0.00 0.17 -0.73 -1.18 0.47 115.58 114.75 2ov6 h ASN 67 Ca -0.00 0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.27 2ov6 h ASN 67 Cb 0.07 0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.69 2ov6 h ASN 67 CO 0.00 0.05 -1.23 -1.84 -0.37 0.00 0.00 177.43 174.04 2ov6 n GLU 68 N -4.68 1.06 -0.82 6.67 0.28 -0.88 -4.48 120.64 117.80 2ov6 n GLU 68 Ca 0.27 -0.07 0.07 0.00 -0.16 0.00 0.00 57.16 57.27 2ov6 n GLU 68 Cb 0.94 -1.17 0.38 0.00 1.43 0.00 0.00 31.44 33.01 2ov6 n GLU 68 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2ov6 n SER 69 N -1.71 5.36 -3.27 -1.84 7.64 -0.24 -4.73 113.62 114.83 2ov6 n SER 69 Ca -0.01 -2.82 -0.32 0.00 1.01 0.00 0.00 58.87 56.73 2ov6 n SER 69 Cb 0.23 -0.66 -0.02 0.00 -1.01 0.00 0.00 64.21 62.74 2ov6 n SER 69 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 2ov6 n VAL 70 N 0.66 3.55 0.16 0.44 3.14 0.15 -4.58 118.33 121.86 2ov6 n VAL 70 Ca 0.26 -2.14 -0.07 0.00 -2.96 0.00 0.00 64.34 59.43 2ov6 n VAL 70 Cb 1.11 -2.43 -0.03 0.00 -1.06 0.00 0.00 33.84 31.43 2ov6 n VAL 70 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 2ov6 h GLN 71 N 5.56 -0.46 0.00 1.45 7.50 -1.86 -3.47 115.11 123.83 2ov6 h GLN 71 Ca 0.72 0.03 -0.04 0.00 0.50 0.00 0.00 58.65 59.86 2ov6 h GLN 71 Cb 0.24 0.10 0.02 0.00 0.05 0.00 0.00 27.48 27.90 2ov6 h GLN 71 CO 1.66 -0.30 0.01 -0.35 -1.50 0.00 0.00 178.83 178.35 2ov6 n PRO 72 N -4.68 -1.26 -3.45 1.46 -0.04 -1.26 -4.98 135.00 120.78 2ov6 n PRO 72 Ca -0.06 -0.20 -0.43 0.00 -0.04 0.00 0.00 63.50 62.78 2ov6 n PRO 72 Cb 0.19 -0.18 -0.04 0.00 -0.04 0.00 0.00 33.50 33.43 2ov6 n PRO 72 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2ov6 s THR 73 N -1.22 5.17 -1.16 0.52 2.01 -1.26 -4.98 115.64 114.71 2ov6 s THR 73 Ca 0.08 -3.04 -0.11 0.00 0.31 0.00 0.00 61.69 58.94 2ov6 s THR 73 Cb -0.01 -4.19 0.23 0.00 0.01 0.00 0.00 72.50 68.54 2ov6 s THR 73 CO 0.06 -1.05 1.30 0.52 -0.69 0.00 0.00 174.62 174.76 2ov6 n VAL 74 N 3.29 4.47 -1.55 3.82 0.31 -1.26 -1.21 118.33 126.20 2ov6 n VAL 74 Ca 0.17 -5.10 -0.27 0.00 -0.01 0.00 0.00 64.34 59.13 2ov6 n VAL 74 Cb 0.42 -2.50 -0.05 0.00 -0.91 0.00 0.00 33.84 30.80 2ov6 n VAL 74 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2ov6 n VAL 75 N 3.44 -0.05 -2.78 2.52 0.31 -0.63 -4.62 118.33 116.51 2ov6 n VAL 75 Ca 0.30 -0.68 -0.41 0.00 -0.01 0.00 0.00 64.34 63.54 2ov6 n VAL 75 Cb 0.40 -2.46 -0.04 0.00 -0.91 0.00 0.00 33.84 30.83 2ov6 n VAL 75 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ov6 s ALA 76 N 13.25 3.23 -0.96 3.52 0.00 -1.24 0.57 121.76 140.14 2ov6 s ALA 76 Ca 0.97 0.48 -0.12 0.00 0.00 0.00 0.00 51.96 53.28 2ov6 s ALA 76 Cb -0.17 -3.24 0.24 0.00 0.00 0.00 0.00 23.12 19.95 2ov6 s ALA 76 CO 0.19 -0.11 0.94 -1.17 0.00 0.00 0.00 175.76 175.62 2ov6 s LEU 77 N 0.49 6.46 0.00 0.00 0.20 0.13 -4.82 118.68 121.14 2ov6 s LEU 77 Ca 0.47 -3.02 0.00 0.00 0.69 0.00 0.00 54.13 52.27 2ov6 s LEU 77 Cb -0.21 -2.23 0.00 0.00 -0.43 0.00 0.00 46.19 43.32 2ov6 s LEU 77 CO 0.27 -0.49 0.00 0.61 -0.29 0.00 0.00 176.35 176.45 2ov6 n GLY 78 N 3.57 3.60 2.63 7.98 0.00 -1.26 -1.02 105.19 120.69 2ov6 n GLY 78 Ca 0.19 -1.80 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 2ov6 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ov6 n GLY 79 N -1.47 2.60 0.32 -0.02 0.00 -1.26 -4.68 105.19 100.67 2ov6 n GLY 79 Ca 0.00 -1.57 0.16 0.00 0.00 0.00 0.00 46.02 44.61 2ov6 n GLY 79 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2ov6 h SER 80 N 2.80 0.00 -0.63 1.61 0.02 -1.94 -3.33 113.55 112.08 2ov6 h SER 80 Ca -0.01 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.34 2ov6 h SER 80 Cb 1.18 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.66 2ov6 h SER 80 CO 0.51 0.00 2.03 0.61 -1.14 0.00 0.00 176.83 178.84 2ov6 n GLY 81 N -1.43 2.39 0.02 -3.77 0.00 -1.26 -4.96 105.19 96.18 2ov6 n GLY 81 Ca 0.01 -1.28 -0.00 0.00 0.00 0.00 0.00 46.02 44.75 2ov6 n GLY 81 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ov6 n SER 82 N 9.60 -1.92 -2.69 1.61 7.64 -1.25 -5.05 113.62 121.57 2ov6 n SER 82 Ca 0.48 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 60.31 2ov6 n SER 82 Cb 0.45 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 2ov6 n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ov6 n GLY 83 N 0.20 0.50 3.03 0.23 0.00 -1.26 -5.13 105.19 102.77 2ov6 n GLY 83 Ca 0.00 -1.58 -0.18 0.00 0.00 0.00 0.00 46.02 44.26 2ov6 n GLY 83 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ov6 n SER 84 N 0.00 -0.73 -3.42 1.61 7.64 -1.26 -5.14 113.62 112.33 2ov6 n SER 84 Ca 0.00 -3.04 -0.25 0.00 1.01 0.00 0.00 58.87 56.59 2ov6 n SER 84 Cb 0.00 1.66 -0.10 0.00 -1.01 0.00 0.00 64.21 64.75 2ov6 n SER 84 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2ov6 s THR 85 N -3.23 -0.03 0.27 0.44 2.01 -1.26 -5.14 115.64 108.70 2ov6 s THR 85 Ca 0.37 -1.48 -0.05 0.00 0.31 0.00 0.00 61.69 60.84 2ov6 s THR 85 Cb 0.02 -0.95 0.07 0.00 0.01 0.00 0.00 72.50 71.64 2ov6 s THR 85 CO 0.26 -0.85 0.17 -1.20 -0.69 0.00 0.00 174.62 172.30 2ov6 n SER 86 N 4.07 -2.30 -1.56 3.53 7.64 -1.26 -5.08 113.62 118.67 2ov6 n SER 86 Ca 0.12 -0.21 -0.02 0.00 1.01 0.00 0.00 58.87 59.77 2ov6 n SER 86 Cb 0.40 -0.19 -0.01 0.00 -1.01 0.00 0.00 64.21 63.41 2ov6 n SER 86 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2ov6 n LEU 87 N 0.00 0.00 0.00 -3.43 7.94 -1.26 -5.19 117.00 115.07 2ov6 n LEU 87 Ca 0.03 -0.29 -0.02 0.00 -1.11 0.00 0.00 56.01 54.61 2ov6 n LEU 87 Cb 0.11 0.11 -0.01 0.00 0.53 0.00 0.00 43.42 44.17 2ov6 n LEU 87 CO 0.07 -0.05 -0.01 -1.14 -1.11 0.00 0.00 177.39 175.15 2ov6 n ARG 88 N -0.08 0.91 -2.04 1.96 0.63 -1.26 -5.18 116.66 111.60 2ov6 n ARG 88 Ca -0.00 -0.31 -0.00 0.00 -0.92 0.00 0.00 57.85 56.62 2ov6 n ARG 88 Cb 0.06 0.17 -0.00 0.00 0.45 0.00 0.00 32.46 33.13 2ov6 n ARG 88 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2ov6 n GLU 89 N -0.08 0.41 -3.21 -0.14 2.13 -1.26 -5.16 120.64 113.32 2ov6 n GLU 89 Ca -0.01 -0.06 0.04 0.00 0.66 0.00 0.00 57.16 57.80 2ov6 n GLU 89 Cb 0.05 0.04 -0.02 0.00 0.27 0.00 0.00 31.44 31.78 2ov6 n GLU 89 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2ov6 s LYS 90 N -2.02 0.31 -0.10 5.31 2.47 -1.26 -5.13 119.74 119.32 2ov6 s LYS 90 Ca 0.01 0.60 -0.37 0.00 -1.56 0.00 0.00 55.97 54.65 2ov6 s LYS 90 Cb 0.00 0.34 -0.14 0.00 -1.46 0.00 0.00 37.83 36.57 2ov6 s LYS 90 CO 0.00 -0.28 1.71 1.51 0.16 0.00 0.00 175.35 178.46 2ov6 n ILE 91 N 5.35 0.32 0.00 5.43 0.13 -1.26 -4.72 119.36 124.62 2ov6 n ILE 91 Ca -0.06 -0.06 0.00 0.00 -1.10 0.00 0.00 62.75 61.53 2ov6 n ILE 91 Cb 0.53 -1.45 0.00 0.00 -0.84 0.00 0.00 39.64 37.88 2ov6 n ILE 91 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 2ov6 n LYS 92 N 5.17 0.00 0.23 9.51 4.81 -1.26 -4.86 118.16 131.76 2ov6 n LYS 92 Ca 0.23 0.00 0.18 0.00 -0.87 0.00 0.00 58.31 57.84 2ov6 n LYS 92 Cb 0.22 -0.23 0.87 0.00 0.02 0.00 0.00 35.03 35.91 2ov6 n LYS 92 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2ov6 h GLN 93 N 0.00 0.00 -0.96 1.64 4.20 -2.04 -1.56 115.11 116.39 2ov6 h GLN 93 Ca 0.00 0.00 0.20 0.00 0.06 0.00 0.00 58.65 58.91 2ov6 h GLN 93 Cb 0.00 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.69 2ov6 h GLN 93 CO 0.00 0.00 0.61 0.00 -0.67 0.00 0.00 178.83 178.77 2ov6 h ALA 94 N 1.75 1.95 -0.55 3.87 0.00 -1.97 0.22 119.26 124.54 2ov6 h ALA 94 Ca 0.07 0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.18 2ov6 h ALA 94 Cb 0.45 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2ov6 h ALA 94 CO -0.00 -0.28 0.42 -0.39 0.00 0.00 0.00 179.25 179.00 2ov6 h VAL 95 N 0.59 0.65 -0.00 0.00 -1.51 -1.66 0.10 116.25 114.41 2ov6 h VAL 95 Ca 0.52 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.00 2ov6 h VAL 95 Cb 1.04 0.70 -0.00 0.00 -2.13 0.00 0.00 31.29 30.91 2ov6 h VAL 95 CO -0.27 0.00 0.06 1.23 -1.23 0.00 0.00 177.57 177.36 2ov6 h GLY 96 N 0.00 0.00 1.47 5.19 0.00 -0.75 -1.32 103.07 107.66 2ov6 h GLY 96 Ca 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.53 2ov6 h GLY 96 CO -0.00 0.00 -0.03 -2.08 0.00 0.00 0.00 176.54 174.43 2ov6 h VAL 97 N 0.00 1.23 0.00 4.60 2.07 -0.95 -1.99 116.25 121.21 2ov6 h VAL 97 Ca 0.00 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2ov6 h VAL 97 Cb 0.13 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2ov6 h VAL 97 CO -0.00 0.32 0.00 -0.78 0.02 0.00 0.00 177.57 177.13 2ov6 h ASP 98 N 0.61 0.00 0.06 0.57 3.58 -1.41 -2.40 116.42 117.42 2ov6 h ASP 98 Ca 0.12 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 2ov6 h ASP 98 Cb 0.42 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2ov6 h ASP 98 CO 0.02 0.00 -0.03 0.25 -2.88 0.00 0.00 179.24 176.60 2ov6 h LEU 99 N 0.00 -0.07 -0.97 2.28 5.85 -1.43 -3.19 115.31 117.78 2ov6 h LEU 99 Ca 0.00 -0.44 -0.08 0.00 0.84 0.00 0.00 57.88 58.20 2ov6 h LEU 99 Cb 0.52 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2ov6 h LEU 99 CO 0.00 0.42 -0.38 4.11 -0.34 0.00 0.00 178.44 182.25 2ov6 h TRP 100 N -0.59 0.00 0.00 1.25 5.08 -1.52 -3.53 115.95 116.64 2ov6 h TRP 100 Ca -0.01 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.96 2ov6 h TRP 100 Cb 0.51 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.67 2ov6 h TRP 100 CO 0.09 0.38 0.00 1.17 -1.28 0.00 0.00 178.44 178.80