#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ibo s ALA 3 N 0.00 -1.22 -0.14 7.82 0.00 -0.02 -2.45 121.76 125.75 2ibo s ALA 3 Ca 0.00 0.03 -0.08 0.00 0.00 0.00 0.00 51.96 51.92 2ibo s ALA 3 Cb 0.00 0.85 0.05 0.00 0.00 0.00 0.00 23.12 24.02 2ibo s ALA 3 CO 0.00 -0.82 0.33 0.45 0.00 0.00 0.00 175.76 175.72 2ibo s SER 4 N -2.83 -0.38 0.06 0.00 0.15 0.69 -2.16 113.70 109.22 2ibo s SER 4 Ca 0.06 0.70 0.08 0.00 0.70 0.00 0.00 55.95 57.49 2ibo s SER 4 Cb -0.02 0.60 -0.03 0.00 -1.71 0.00 0.00 66.02 64.86 2ibo s SER 4 CO -0.06 -0.17 -0.18 -0.63 1.20 0.00 0.00 173.24 173.40 2ibo s ILE 5 N 1.21 2.79 -0.19 6.45 -1.09 -0.62 -1.04 121.20 128.71 2ibo s ILE 5 Ca -0.08 -1.27 0.00 0.00 -2.23 0.00 0.00 60.65 57.06 2ibo s ILE 5 Cb -0.09 -2.20 0.04 0.00 -1.58 0.00 0.00 42.46 38.64 2ibo s ILE 5 CO -0.09 0.28 -0.08 0.00 -1.23 0.00 0.00 174.94 173.81 2ibo s ALA 6 N -0.98 1.77 -0.15 9.38 0.00 -0.24 0.05 121.76 131.59 2ibo s ALA 6 Ca 0.15 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 2ibo s ALA 6 Cb -0.10 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 2ibo s ALA 6 CO 0.06 -0.82 -0.05 -1.17 0.00 0.00 0.00 175.76 173.79 2ibo s LEU 7 N 1.50 3.18 -0.09 0.00 2.96 0.23 -1.35 118.68 125.11 2ibo s LEU 7 Ca -0.01 -0.15 -0.00 0.00 -0.22 0.00 0.00 54.13 53.75 2ibo s LEU 7 Cb -0.16 -1.76 0.02 0.00 0.50 0.00 0.00 46.19 44.80 2ibo s LEU 7 CO -0.08 0.17 -0.06 -1.58 -1.32 0.00 0.00 176.35 173.48 2ibo s GLN 8 N 0.34 1.32 -0.19 1.98 0.74 -0.37 0.98 119.66 124.47 2ibo s GLN 8 Ca -0.05 -0.19 -0.03 0.00 0.05 0.00 0.00 55.36 55.13 2ibo s GLN 8 Cb -0.14 -1.39 -0.01 0.00 1.10 0.00 0.00 33.01 32.56 2ibo s GLN 8 CO 0.03 -0.22 -0.06 0.08 -0.55 0.00 0.00 175.29 174.57 2ibo s VAL 9 N 1.57 3.44 -0.31 1.34 1.01 -1.26 -0.70 120.40 125.49 2ibo s VAL 9 Ca 0.01 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.52 2ibo s VAL 9 Cb -0.13 -2.53 0.08 0.00 0.00 0.00 0.00 36.38 33.80 2ibo s VAL 9 CO -0.06 0.46 -0.00 -0.76 0.00 0.00 0.00 175.10 174.74 2ibo s LEU 10 N 1.01 4.15 0.48 3.92 1.43 0.77 -5.00 118.68 125.43 2ibo s LEU 10 Ca 0.00 -1.66 0.24 0.00 -1.03 0.00 0.00 54.13 51.68 2ibo s LEU 10 Cb -0.15 -1.64 1.21 0.00 0.03 0.00 0.00 46.19 45.64 2ibo s LEU 10 CO 0.00 -0.30 1.98 -0.65 0.23 0.00 0.00 176.35 177.61 2ibo h PRO 11 N 7.81 0.00 -5.91 1.29 0.11 -1.81 -1.46 132.00 132.03 2ibo h PRO 11 Ca -0.14 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.60 2ibo h PRO 11 Cb 1.04 0.00 0.12 0.00 0.11 0.00 0.00 31.00 32.27 2ibo h PRO 11 CO 0.52 0.18 -0.87 1.28 -0.21 0.00 0.00 178.00 178.91 2ibo n LEU 12 N -3.69 -3.87 -4.30 2.35 4.77 -1.26 -4.28 117.00 106.73 2ibo n LEU 12 Ca -0.01 -0.84 -0.16 0.00 -0.03 0.00 0.00 56.01 54.97 2ibo n LEU 12 Cb 0.30 -2.78 -0.10 0.00 -2.33 0.00 0.00 43.42 38.51 2ibo n LEU 12 CO 0.32 0.33 -0.24 -0.69 -1.33 0.00 0.00 177.39 175.78 2ibo s VAL 13 N -3.50 0.41 -0.48 4.08 1.01 -1.26 -4.81 120.40 115.84 2ibo s VAL 13 Ca 0.29 -2.00 -0.24 0.00 0.00 0.00 0.00 61.98 60.03 2ibo s VAL 13 Cb -0.07 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.75 2ibo s VAL 13 CO 0.80 0.00 0.89 -1.10 0.00 0.00 0.00 175.10 175.69 2ibo s GLN 14 N -4.03 3.44 0.00 2.72 1.11 -1.26 -4.76 119.66 116.87 2ibo s GLN 14 Ca 0.38 -0.04 0.00 0.00 0.01 0.00 0.00 55.36 55.71 2ibo s GLN 14 Cb 0.07 -3.97 0.00 0.00 -1.01 0.00 0.00 33.01 28.11 2ibo s GLN 14 CO 0.14 -1.27 0.00 0.41 0.01 0.00 0.00 175.29 174.58 2ibo n GLY 15 N 5.00 2.38 0.12 3.09 0.00 -1.26 -2.93 105.19 111.59 2ibo n GLY 15 Ca 0.04 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.13 2ibo n GLY 15 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ibo n ILE 16 N 0.00 -0.15 0.31 -0.61 5.41 -1.26 0.08 119.36 123.15 2ibo n ILE 16 Ca 0.00 0.76 0.16 0.00 1.00 0.00 0.00 62.75 64.67 2ibo n ILE 16 Cb 0.00 -1.13 0.67 0.00 -0.71 0.00 0.00 39.64 38.47 2ibo n ILE 16 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2ibo h ASP 17 N 0.00 0.00 0.06 4.38 3.32 -1.92 -3.18 116.42 119.08 2ibo h ASP 17 Ca 0.23 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.94 2ibo h ASP 17 Cb 0.49 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 2ibo h ASP 17 CO -0.32 0.00 -1.86 -2.11 -1.72 0.00 0.00 179.24 173.23 2ibo n ARG 18 N -2.83 0.67 0.00 3.56 1.85 0.11 -3.94 116.66 116.09 2ibo n ARG 18 Ca 0.01 0.36 0.00 0.00 -1.00 0.00 0.00 57.85 57.21 2ibo n ARG 18 Cb 0.26 -1.68 0.00 0.00 -1.05 0.00 0.00 32.46 29.99 2ibo n ARG 18 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 2ibo n ILE 19 N -3.85 0.12 0.00 8.89 -5.35 -1.18 -0.14 119.36 117.86 2ibo n ILE 19 Ca -0.36 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 2ibo n ILE 19 Cb 0.91 -0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 2ibo n ILE 19 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ibo n ALA 20 N 0.47 2.00 0.18 -1.28 0.00 -1.23 -4.16 120.51 116.48 2ibo n ALA 20 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2ibo n ALA 20 Cb 0.13 0.44 0.35 0.00 0.00 0.00 0.00 19.45 20.36 2ibo n ALA 20 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2ibo h VAL 21 N 0.00 1.17 0.03 0.00 -1.51 -0.66 -0.26 116.25 115.02 2ibo h VAL 21 Ca 0.00 -1.44 -0.24 0.00 -1.23 0.00 0.00 66.70 63.79 2ibo h VAL 21 Cb 0.99 1.80 0.01 0.00 -2.13 0.00 0.00 31.29 31.95 2ibo h VAL 21 CO 0.00 0.40 -1.01 0.40 -1.23 0.00 0.00 177.57 176.13 2ibo h ILE 22 N 0.00 1.40 0.00 7.19 2.04 -1.65 -1.15 117.51 125.34 2ibo h ILE 22 Ca -0.00 -2.53 -0.11 0.00 1.00 0.00 0.00 64.86 63.22 2ibo h ILE 22 Cb 0.77 2.51 -0.02 0.00 -0.74 0.00 0.00 36.82 39.35 2ibo h ILE 22 CO 0.05 0.75 -0.50 0.44 0.00 0.00 0.00 178.15 178.89 2ibo h ASP 23 N 0.22 0.00 -0.26 1.72 3.45 -1.66 -1.69 116.42 118.20 2ibo h ASP 23 Ca -0.10 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.22 2ibo h ASP 23 Cb 1.66 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.43 2ibo h ASP 23 CO 0.18 0.50 -0.41 1.56 -1.57 0.00 0.00 179.24 179.50 2ibo h GLN 24 N 0.00 0.73 -0.19 3.56 1.08 -0.96 -0.34 115.11 118.98 2ibo h GLN 24 Ca -0.01 -0.44 -0.17 0.00 -1.45 0.00 0.00 58.65 56.58 2ibo h GLN 24 Cb 1.04 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.51 2ibo h GLN 24 CO 0.07 1.07 -0.58 0.28 -0.95 0.00 0.00 178.83 178.71 2ibo h VAL 25 N 0.46 1.32 -0.02 -0.54 2.07 -1.08 -1.26 116.25 117.20 2ibo h VAL 25 Ca 0.02 -1.84 -0.00 0.00 0.82 0.00 0.00 66.70 65.70 2ibo h VAL 25 Cb 1.01 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2ibo h VAL 25 CO 0.09 0.57 -0.00 0.40 0.02 0.00 0.00 177.57 178.65 2ibo h ILE 26 N 0.46 1.28 -0.27 4.57 1.08 -1.30 -1.50 117.51 121.83 2ibo h ILE 26 Ca 0.00 -0.83 0.03 0.00 -0.39 0.00 0.00 64.86 63.67 2ibo h ILE 26 Cb 1.15 1.79 -0.03 0.00 -3.07 0.00 0.00 36.82 36.65 2ibo h ILE 26 CO 0.11 0.22 0.07 0.00 -0.69 0.00 0.00 178.15 177.86 2ibo h ALA 27 N 0.67 0.29 -0.20 1.87 0.00 -1.04 -0.32 119.26 120.52 2ibo h ALA 27 Ca 0.01 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2ibo h ALA 27 Cb 0.36 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2ibo h ALA 27 CO 0.00 -0.34 -0.04 -0.92 0.00 0.00 0.00 179.25 177.95 2ibo h TYR 28 N 0.18 -0.09 -0.80 0.00 3.20 -1.20 -2.26 116.97 116.00 2ibo h TYR 28 Ca 0.12 0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.11 2ibo h TYR 28 Cb 0.11 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.38 2ibo h TYR 28 CO -0.15 -0.08 0.44 -0.07 -1.64 0.00 0.00 178.16 176.67 2ibo h LEU 29 N 0.01 0.62 -1.93 2.82 4.07 -0.67 -0.22 115.31 120.01 2ibo h LEU 29 Ca 0.10 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 2ibo h LEU 29 Cb 0.14 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.82 2ibo h LEU 29 CO -0.20 0.35 -0.06 1.56 -1.08 0.00 0.00 178.44 179.01 2ibo h GLN 30 N 0.74 0.00 -0.21 1.13 4.20 -0.52 -2.02 115.11 118.43 2ibo h GLN 30 Ca 0.39 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.06 2ibo h GLN 30 Cb 0.38 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2ibo h GLN 30 CO -0.26 0.06 -0.07 1.15 -0.67 0.00 0.00 178.83 179.04 2ibo h THR 31 N 0.00 1.17 -4.27 -0.54 2.02 -0.54 -3.44 112.91 107.32 2ibo h THR 31 Ca -0.00 -0.71 -0.50 0.00 0.77 0.00 0.00 66.41 65.96 2ibo h THR 31 Cb 0.11 1.09 0.09 0.00 -1.74 0.00 0.00 68.15 67.70 2ibo h THR 31 CO 0.01 0.23 0.37 -1.10 0.37 0.00 0.00 175.52 175.40 2ibo s GLN 32 N -4.85 3.00 -1.05 6.66 -1.52 -0.76 -4.92 119.66 116.22 2ibo s GLN 32 Ca -0.06 1.12 -0.04 0.00 -1.95 0.00 0.00 55.36 54.43 2ibo s GLN 32 Cb 0.16 -1.99 0.17 0.00 -0.22 0.00 0.00 33.01 31.12 2ibo s GLN 32 CO 0.74 -1.06 2.32 0.39 -0.25 0.00 0.00 175.29 177.42 2ibo n GLU 33 N -2.67 4.22 -4.55 2.91 1.02 -1.26 -4.92 120.64 115.38 2ibo n GLU 33 Ca 0.08 -3.51 -0.25 0.00 -0.02 0.00 0.00 57.16 53.47 2ibo n GLU 33 Cb 0.53 -2.47 -0.14 0.00 -0.02 0.00 0.00 31.44 29.34 2ibo n GLU 33 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2ibo s VAL 34 N -2.35 1.60 0.83 2.62 0.11 -1.26 -5.12 120.40 116.83 2ibo s VAL 34 Ca 0.52 -1.22 -0.11 0.00 -2.93 0.00 0.00 61.98 58.24 2ibo s VAL 34 Cb 0.24 -1.41 0.09 0.00 -1.53 0.00 0.00 36.38 33.78 2ibo s VAL 34 CO -0.15 0.14 1.10 -0.89 -3.33 0.00 0.00 175.10 171.97 2ibo s THR 35 N -0.86 2.92 -0.30 5.04 2.01 -1.21 -4.92 115.64 118.32 2ibo s THR 35 Ca 0.07 0.30 -0.17 0.00 0.31 0.00 0.00 61.69 62.20 2ibo s THR 35 Cb -0.09 -2.67 0.18 0.00 0.01 0.00 0.00 72.50 69.94 2ibo s THR 35 CO 0.02 -0.39 1.15 -0.69 -0.69 0.00 0.00 174.62 174.02 2ibo s VAL 37 N -2.84 -0.12 -0.30 3.82 1.01 0.59 -1.10 120.40 121.45 2ibo s VAL 37 Ca 0.63 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 62.41 2ibo s VAL 37 Cb -0.19 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 2ibo s VAL 37 CO 0.57 0.00 0.60 -0.69 0.00 0.00 0.00 175.10 175.58 2ibo s VAL 38 N 1.67 4.97 0.43 2.92 1.01 -1.26 -0.14 120.40 129.99 2ibo s VAL 38 Ca -0.05 0.80 0.07 0.00 0.00 0.00 0.00 61.98 62.80 2ibo s VAL 38 Cb -0.03 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 2ibo s VAL 38 CO -0.14 -0.12 0.31 0.42 0.00 0.00 0.00 175.10 175.57 2ibo s THR 39 N 2.54 2.44 0.47 3.92 -4.23 -0.49 -4.99 115.64 115.30 2ibo s THR 39 Ca 0.24 -1.49 0.24 0.00 -1.18 0.00 0.00 61.69 59.50 2ibo s THR 39 Cb -0.15 -2.93 0.43 0.00 1.34 0.00 0.00 72.50 71.19 2ibo s THR 39 CO 0.12 0.00 1.86 -0.65 -0.54 0.00 0.00 174.62 175.41 2ibo h PRO 40 N 1.16 0.22 0.00 3.99 0.11 -2.03 -3.19 132.00 132.26 2ibo h PRO 40 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2ibo h PRO 40 Cb 1.26 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2ibo h PRO 40 CO 0.62 0.14 -1.02 1.19 -0.21 0.00 0.00 178.00 178.72 2ibo n PHE 41 N -4.41 0.00 -3.65 0.65 3.72 -1.26 -5.07 117.46 107.44 2ibo n PHE 41 Ca 0.19 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.47 2ibo n PHE 41 Cb 0.83 -0.08 -0.06 0.00 -0.94 0.00 0.00 39.48 39.23 2ibo n PHE 41 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 2ibo s GLU 42 N -2.15 0.98 -0.24 -1.08 -1.05 -1.20 -4.60 118.70 109.36 2ibo s GLU 42 Ca -0.01 -0.47 -0.09 0.00 -0.15 0.00 0.00 54.97 54.25 2ibo s GLU 42 Cb 0.03 0.44 -0.04 0.00 -0.44 0.00 0.00 34.13 34.11 2ibo s GLU 42 CO 0.18 -0.35 0.13 0.99 0.95 0.00 0.00 175.26 177.16 2ibo s THR 43 N -2.92 4.99 -0.23 1.83 2.01 0.28 -1.39 115.64 120.20 2ibo s THR 43 Ca -0.03 0.05 -0.14 0.00 0.31 0.00 0.00 61.69 61.89 2ibo s THR 43 Cb 0.00 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 2ibo s THR 43 CO -0.06 0.34 0.32 -0.69 -0.69 0.00 0.00 174.62 173.84 2ibo s VAL 44 N 1.28 5.24 0.10 3.82 1.01 0.80 0.77 120.40 133.42 2ibo s VAL 44 Ca 0.06 0.51 0.07 0.00 0.00 0.00 0.00 61.98 62.62 2ibo s VAL 44 Cb -0.14 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2ibo s VAL 44 CO 0.05 0.25 -0.09 -0.76 0.00 0.00 0.00 175.10 174.56 2ibo s LEU 45 N 1.45 3.08 -0.02 3.92 1.43 0.11 -0.30 118.68 128.34 2ibo s LEU 45 Ca 0.14 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 2ibo s LEU 45 Cb -0.15 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.23 2ibo s LEU 45 CO 0.08 0.18 -0.01 -0.70 0.23 0.00 0.00 176.35 176.13 2ibo s GLU 46 N -2.19 0.26 0.00 1.70 2.12 -0.26 -1.59 118.70 118.74 2ibo s GLU 46 Ca 0.22 0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.57 2ibo s GLU 46 Cb -0.11 -0.38 0.00 0.00 0.26 0.00 0.00 34.13 33.90 2ibo s GLU 46 CO 0.14 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.20 2ibo n GLY 47 N 3.76 -0.58 3.76 -1.50 0.00 -0.92 -3.34 105.19 106.38 2ibo n GLY 47 Ca -0.22 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 2ibo n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ibo s GLU 48 N -1.58 4.36 0.18 1.61 0.41 -1.26 -0.84 118.70 121.58 2ibo s GLU 48 Ca 0.00 2.20 -0.16 0.00 -0.41 0.00 0.00 54.97 56.59 2ibo s GLU 48 Cb 0.00 -3.09 0.14 0.00 -1.78 0.00 0.00 34.13 29.39 2ibo s GLU 48 CO 0.00 -0.21 1.65 0.35 -0.49 0.00 0.00 175.26 176.56 2ibo h PHE 49 N 3.80 -0.30 -0.52 1.61 3.57 -1.89 -1.94 116.94 121.28 2ibo h PHE 49 Ca -0.48 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.16 2ibo h PHE 49 Cb 1.22 0.20 -0.08 0.00 2.79 0.00 0.00 35.95 40.09 2ibo h PHE 49 CO 0.57 -0.22 0.07 -0.44 -2.23 0.00 0.00 178.31 176.06 2ibo h ASP 50 N -0.02 -0.08 -0.46 0.41 3.45 -1.99 -2.52 116.42 115.20 2ibo h ASP 50 Ca 0.22 0.11 -0.12 0.00 0.43 0.00 0.00 57.03 57.67 2ibo h ASP 50 Cb 0.37 0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.28 2ibo h ASP 50 CO -0.49 -0.02 -0.19 1.05 -1.57 0.00 0.00 179.24 178.02 2ibo h GLU 51 N 0.19 0.97 -1.65 3.56 4.11 -1.81 -2.45 114.58 117.51 2ibo h GLU 51 Ca 0.26 -0.39 0.00 0.00 0.07 0.00 0.00 59.36 59.30 2ibo h GLU 51 Cb 0.38 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2ibo h GLU 51 CO -0.38 1.06 0.00 1.28 0.07 0.00 0.00 179.01 181.05 2ibo n LEU 52 N -4.12 0.84 0.00 3.06 4.77 -0.78 -0.14 117.00 120.63 2ibo n LEU 52 Ca 0.01 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 2ibo n LEU 52 Cb 0.44 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2ibo n LEU 52 CO 0.46 0.14 0.00 -1.14 -1.33 0.00 0.00 177.39 175.52 2ibo n ARG 54 N 0.83 0.00 -0.25 3.23 0.63 -0.92 0.35 116.66 120.53 2ibo n ARG 54 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 2ibo n ARG 54 Cb 0.14 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.10 2ibo n ARG 54 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2ibo h ILE 55 N 0.00 1.26 -0.15 5.15 2.04 -0.82 -1.79 117.51 123.20 2ibo h ILE 55 Ca 0.00 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 64.94 2ibo h ILE 55 Cb 0.00 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 2ibo h ILE 55 CO 0.00 0.36 0.01 0.25 0.00 0.00 0.00 178.15 178.78 2ibo h LEU 56 N 1.05 -0.03 -0.65 1.44 5.85 -0.34 0.25 115.31 122.88 2ibo h LEU 56 Ca 0.22 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.98 2ibo h LEU 56 Cb 0.35 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 2ibo h LEU 56 CO -0.00 0.01 0.43 0.50 -0.34 0.00 0.00 178.44 179.04 2ibo h LYS 57 N 0.07 0.85 -0.33 1.25 3.64 -1.75 -1.17 116.57 119.14 2ibo h LYS 57 Ca 0.07 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 2ibo h LYS 57 Cb 0.08 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2ibo h LYS 57 CO -0.11 0.56 -0.09 0.93 -2.27 0.00 0.00 179.45 178.48 2ibo h GLU 58 N 0.88 0.64 -0.62 1.90 4.39 -0.94 -1.36 114.58 119.46 2ibo h GLU 58 Ca 0.24 -0.25 0.09 0.00 0.34 0.00 0.00 59.36 59.79 2ibo h GLU 58 Cb -0.09 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 28.45 2ibo h GLU 58 CO -0.06 0.82 0.24 0.00 -1.16 0.00 0.00 179.01 178.85 2ibo h ALA 59 N 0.80 0.80 -0.42 3.43 0.00 -0.14 0.18 119.26 123.92 2ibo h ALA 59 Ca 0.08 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2ibo h ALA 59 Cb 0.59 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2ibo h ALA 59 CO 0.03 -0.17 -0.20 -0.07 0.00 0.00 0.00 179.25 178.85 2ibo h LEU 60 N 0.43 0.83 -1.09 0.00 3.38 -1.06 -1.50 115.31 116.31 2ibo h LEU 60 Ca 0.31 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2ibo h LEU 60 Cb 0.37 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2ibo h LEU 60 CO -0.30 1.01 -0.13 -0.33 0.09 0.00 0.00 178.44 178.79 2ibo h GLU 61 N 0.72 0.49 0.19 1.13 5.08 -0.19 0.55 114.58 122.54 2ibo h GLU 61 Ca 0.10 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2ibo h GLU 61 Cb 0.72 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2ibo h GLU 61 CO 0.05 0.62 -0.09 0.28 -1.00 0.00 0.00 179.01 178.87 2ibo h VAL 62 N 0.46 0.90 -0.98 3.13 2.07 -0.31 -2.60 116.25 118.91 2ibo h VAL 62 Ca 0.08 -0.45 0.06 0.00 0.82 0.00 0.00 66.70 67.21 2ibo h VAL 62 Cb 0.50 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 2ibo h VAL 62 CO 0.03 0.10 0.64 0.00 0.02 0.00 0.00 177.57 178.36 2ibo h ALA 63 N 0.29 1.42 0.00 1.67 0.00 -0.96 -1.68 119.26 120.00 2ibo h ALA 63 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ibo h ALA 63 Cb 0.36 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2ibo h ALA 63 CO 0.04 0.45 0.00 0.78 0.00 0.00 0.00 179.25 180.52 2ibo h GLY 64 N 1.16 0.00 -4.61 0.00 0.00 -0.76 -2.75 103.07 96.11 2ibo h GLY 64 Ca 0.42 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 47.05 2ibo h GLY 64 CO -0.16 0.00 0.43 -0.18 0.00 0.00 0.00 176.54 176.63 2ibo n GLN 65 N -2.53 2.98 0.00 4.80 7.27 -0.63 -3.95 117.38 125.32 2ibo n GLN 65 Ca 0.01 -3.78 0.00 0.00 0.07 0.00 0.00 57.00 53.30 2ibo n GLN 65 Cb 0.23 -2.27 0.00 0.00 2.41 0.00 0.00 30.24 30.61 2ibo n GLN 65 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2ibo n GLU 66 N -0.60 0.02 -3.60 3.69 4.07 -1.05 -5.01 120.64 118.15 2ibo n GLU 66 Ca 0.51 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 57.45 2ibo n GLU 66 Cb 0.47 -0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.78 2ibo n GLU 66 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2ibo s ALA 67 N 0.00 -1.40 -0.22 4.31 0.00 -1.16 -4.79 121.76 118.51 2ibo s ALA 67 Ca 0.00 0.91 0.19 0.00 0.00 0.00 0.00 51.96 53.05 2ibo s ALA 67 Cb 0.00 0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.24 2ibo s ALA 67 CO 0.00 -0.35 1.21 -0.44 0.00 0.00 0.00 175.76 176.18 2ibo h ASP 68 N 3.25 0.00 -3.65 0.00 5.19 -1.90 -3.42 116.42 115.90 2ibo h ASP 68 Ca -0.28 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.51 2ibo h ASP 68 Cb 1.16 0.00 -0.38 0.00 0.18 0.00 0.00 39.33 40.29 2ibo h ASP 68 CO 0.40 0.31 -0.79 0.20 -3.12 0.00 0.00 179.24 176.24 2ibo s ASN 69 N -5.98 3.90 -0.12 6.45 0.01 -1.26 -5.11 114.94 112.84 2ibo s ASN 69 Ca 0.02 -1.21 0.03 0.00 -0.71 0.00 0.00 52.86 50.99 2ibo s ASN 69 Cb 0.08 -1.20 0.01 0.00 0.41 0.00 0.00 41.25 40.55 2ibo s ASN 69 CO 0.76 -0.24 -0.20 -0.69 -1.51 0.00 0.00 177.10 175.22 2ibo s VAL 70 N 1.37 1.85 -0.05 1.60 1.01 -1.26 -4.15 120.40 120.77 2ibo s VAL 70 Ca -0.06 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.11 2ibo s VAL 70 Cb -0.19 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 2ibo s VAL 70 CO -0.06 0.51 -0.20 0.12 0.00 0.00 0.00 175.10 175.47 2ibo s PHE 71 N 0.72 2.54 0.02 5.22 2.19 -0.55 -5.02 117.98 123.11 2ibo s PHE 71 Ca -0.11 -0.44 0.01 0.00 0.33 0.00 0.00 56.93 56.73 2ibo s PHE 71 Cb -0.16 -1.61 -0.02 0.00 -1.31 0.00 0.00 43.02 39.92 2ibo s PHE 71 CO 0.01 -0.02 -0.06 0.00 1.83 0.00 0.00 175.22 176.98 2ibo s ALA 72 N -0.43 0.40 -0.13 11.12 0.00 -1.26 -0.17 121.76 131.29 2ibo s ALA 72 Ca 0.05 -0.53 -0.03 0.00 0.00 0.00 0.00 51.96 51.44 2ibo s ALA 72 Cb -0.12 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 2ibo s ALA 72 CO 0.01 -0.01 -0.02 -0.80 0.00 0.00 0.00 175.76 174.94 2ibo s ASN 73 N -1.06 4.99 -0.01 0.00 0.02 0.12 -4.99 114.94 114.01 2ibo s ASN 73 Ca -0.07 -0.03 0.02 0.00 -1.02 0.00 0.00 52.86 51.76 2ibo s ASN 73 Cb -0.07 -1.67 -0.00 0.00 0.02 0.00 0.00 41.25 39.53 2ibo s ASN 73 CO -0.00 0.24 -0.05 -0.69 0.02 0.00 0.00 177.10 176.62 2ibo s VAL 74 N -0.06 0.43 -0.17 1.60 1.01 -1.26 -1.23 120.40 120.72 2ibo s VAL 74 Ca 0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 2ibo s VAL 74 Cb -0.13 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.87 2ibo s VAL 74 CO 0.02 0.13 -0.14 -0.54 0.00 0.00 0.00 175.10 174.57 2ibo s LYS 75 N -0.04 3.21 -0.13 2.72 1.02 -0.46 -4.95 119.74 121.11 2ibo s LYS 75 Ca 0.01 -0.74 -0.02 0.00 0.02 0.00 0.00 55.97 55.24 2ibo s LYS 75 Cb -0.03 -2.69 -0.03 0.00 -0.52 0.00 0.00 37.83 34.57 2ibo s LYS 75 CO -0.00 -0.06 -0.06 0.42 -0.92 0.00 0.00 175.35 174.72 2ibo s ILE 76 N 1.01 3.68 -0.16 2.17 1.01 -1.26 -1.08 121.20 126.57 2ibo s ILE 76 Ca -0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 2ibo s ILE 76 Cb -0.15 -2.57 0.05 0.00 0.01 0.00 0.00 42.46 39.80 2ibo s ILE 76 CO -0.03 0.53 0.01 0.21 0.00 0.00 0.00 174.94 175.66 2ibo s ASN 77 N 0.04 2.61 -0.01 3.58 2.47 -0.20 -4.99 114.94 118.43 2ibo s ASN 77 Ca -0.01 -0.64 0.03 0.00 0.42 0.00 0.00 52.86 52.66 2ibo s ASN 77 Cb -0.14 -0.62 -0.00 0.00 -1.45 0.00 0.00 41.25 39.04 2ibo s ASN 77 CO 0.03 -0.26 -0.10 0.68 -3.72 0.00 0.00 177.10 173.73 2ibo s VAL 78 N 1.84 0.80 -1.40 -5.21 -7.23 -1.26 -0.23 120.40 107.71 2ibo s VAL 78 Ca 0.01 -0.41 0.00 0.00 -1.81 0.00 0.00 61.98 59.76 2ibo s VAL 78 Cb -0.16 -0.68 0.00 0.00 0.56 0.00 0.00 36.38 36.10 2ibo s VAL 78 CO -0.07 0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.56 2ibo n GLY 79 N 2.96 0.38 2.52 2.32 0.00 -1.02 -4.80 105.19 107.54 2ibo n GLY 79 Ca -0.15 -1.82 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 2ibo n GLY 79 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ibo n GLU 80 N 0.00 3.34 -2.52 1.61 -0.58 -1.26 -4.51 120.64 116.72 2ibo n GLU 80 Ca 0.00 -2.44 -0.25 0.00 -0.42 0.00 0.00 57.16 54.06 2ibo n GLU 80 Cb 0.00 -3.02 0.04 0.00 -0.57 0.00 0.00 31.44 27.89 2ibo n GLU 80 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 2ibo s ILE 81 N 2.53 3.24 -0.02 -3.67 -4.36 -1.26 -5.07 121.20 112.58 2ibo s ILE 81 Ca 0.59 -0.28 -0.17 0.00 -0.26 0.00 0.00 60.65 60.52 2ibo s ILE 81 Cb 0.16 -3.27 -0.05 0.00 1.25 0.00 0.00 42.46 40.54 2ibo s ILE 81 CO -0.07 -0.25 0.47 -0.76 0.24 0.00 0.00 174.94 174.57 2ibo s LEU 82 N -4.92 4.42 1.11 0.37 1.02 -1.26 -5.06 118.68 114.35 2ibo s LEU 82 Ca 0.55 0.99 -0.12 0.00 0.02 0.00 0.00 54.13 55.56 2ibo s LEU 82 Cb -0.10 -2.70 0.25 0.00 0.02 0.00 0.00 46.19 43.65 2ibo s LEU 82 CO 0.42 0.19 1.06 -0.94 0.02 0.00 0.00 176.35 177.10 2ibo s SER 83 N -0.46 1.40 0.21 2.29 1.04 -1.26 -4.71 113.70 112.21 2ibo s SER 83 Ca 0.26 1.73 -0.10 0.00 0.48 0.00 0.00 55.95 58.32 2ibo s SER 83 Cb -0.17 -2.40 0.19 0.00 0.10 0.00 0.00 66.02 63.74 2ibo s SER 83 CO 0.14 -3.97 1.85 0.40 0.98 0.00 0.00 173.24 172.64 2ibo h ILE 84 N -2.47 1.11 -0.08 -1.02 2.04 -1.98 -1.78 117.51 113.33 2ibo h ILE 84 Ca -0.57 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.03 2ibo h ILE 84 Cb 1.32 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 2ibo h ILE 84 CO 0.47 0.16 -0.20 0.44 0.00 0.00 0.00 178.15 179.02 2ibo h ASP 85 N 0.88 -0.62 -0.51 1.72 3.32 -1.99 0.32 116.42 119.54 2ibo h ASP 85 Ca 0.28 0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.46 2ibo h ASP 85 Cb 0.00 0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 2ibo h ASP 85 CO -0.10 -0.26 0.30 -0.33 -1.72 0.00 0.00 179.24 177.13 2ibo h GLU 86 N -0.28 0.57 -0.47 3.56 5.08 -1.84 -2.39 114.58 118.82 2ibo h GLU 86 Ca 0.08 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2ibo h GLU 86 Cb 0.40 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2ibo h GLU 86 CO -0.25 0.38 0.19 0.87 -1.00 0.00 0.00 179.01 179.21 2ibo h LYS 87 N 0.59 0.69 0.00 2.33 1.57 -0.90 -3.20 116.57 117.66 2ibo h LYS 87 Ca 0.21 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2ibo h LYS 87 Cb 0.04 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2ibo h LYS 87 CO -0.10 0.62 0.00 -0.11 -0.57 0.00 0.00 179.45 179.29 2ibo n LEU 88 N -4.59 0.00 -3.98 2.94 7.94 0.11 0.11 117.00 119.53 2ibo n LEU 88 Ca 0.01 0.66 -0.43 0.00 -1.11 0.00 0.00 56.01 55.14 2ibo n LEU 88 Cb 0.14 -0.29 0.00 0.00 0.53 0.00 0.00 43.42 43.81 2ibo n LEU 88 CO 0.37 -0.29 1.87 1.21 -1.11 0.00 0.00 177.39 179.44 2ibo n GLU 89 N -2.34 3.56 0.00 1.96 4.07 -1.20 -5.11 120.64 121.58 2ibo n GLU 89 Ca 0.00 -3.56 0.00 0.00 -0.06 0.00 0.00 57.16 53.54 2ibo n GLU 89 Cb 0.00 -2.96 0.00 0.00 -0.06 0.00 0.00 31.44 28.42 2ibo n GLU 89 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70