#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ida n THR 2 N 0.00 1.48 -3.61 3.17 -1.04 0.19 -4.94 114.28 109.52 2ida n THR 2 Ca 0.00 0.10 -0.08 0.00 -2.04 0.00 0.00 64.05 62.03 2ida n THR 2 Cb 0.00 -2.30 -0.06 0.00 -1.82 0.00 0.00 70.33 66.15 2ida n THR 2 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 2ida s MET 3 N -2.62 0.44 0.80 -2.82 1.75 -0.09 -4.95 119.30 111.81 2ida s MET 3 Ca -0.25 0.27 -0.14 0.00 -1.25 0.00 0.00 55.69 54.32 2ida s MET 3 Cb 0.05 0.21 0.19 0.00 2.84 0.00 0.00 34.83 38.11 2ida s MET 3 CO 0.38 -0.10 0.98 0.41 -0.65 0.00 0.00 175.02 176.04 2ida n GLY 4 N 1.30 -1.72 3.55 2.11 0.00 -1.26 -4.20 105.19 104.96 2ida n GLY 4 Ca -0.10 -1.65 -0.16 0.00 0.00 0.00 0.00 46.02 44.11 2ida n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ida h ARG 6 N 3.23 0.00 0.00 0.00 0.11 -2.02 0.16 114.38 115.85 2ida h ARG 6 Ca -0.26 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.81 2ida h ARG 6 Cb 1.15 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.23 2ida h ARG 6 CO 0.32 0.00 -0.08 0.45 0.10 0.00 0.00 179.97 180.76 2ida h HIS 7 N 0.00 0.00 -0.05 4.08 3.86 -2.01 -2.46 115.15 118.57 2ida h HIS 7 Ca 0.10 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.22 2ida h HIS 7 Cb 0.51 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 2ida h HIS 7 CO 0.00 0.08 -0.37 0.28 0.86 0.00 0.00 177.93 178.78 2ida h VAL 8 N 0.00 1.28 0.00 2.45 2.07 -1.37 -2.64 116.25 118.03 2ida h VAL 8 Ca -0.00 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.20 2ida h VAL 8 Cb 0.19 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2ida h VAL 8 CO 0.01 0.38 0.00 0.00 0.02 0.00 0.00 177.57 177.99 2ida n ALA 9 N -2.47 1.92 0.25 1.67 0.00 -0.93 -2.37 120.51 118.59 2ida n ALA 9 Ca -0.02 -0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.38 2ida n ALA 9 Cb 0.42 -1.28 0.03 0.00 0.00 0.00 0.00 19.45 18.61 2ida n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ida n GLY 10 N 0.22 -0.78 3.89 0.00 0.00 -1.00 -5.02 105.19 102.50 2ida n GLY 10 Ca 0.07 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 2ida n GLY 10 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ida s ILE 11 N -0.53 5.00 0.51 -0.61 -4.36 -1.00 -5.06 121.20 115.15 2ida s ILE 11 Ca 0.07 0.21 0.05 0.00 -0.26 0.00 0.00 60.65 60.72 2ida s ILE 11 Cb 0.05 -3.69 0.01 0.00 1.25 0.00 0.00 42.46 40.09 2ida s ILE 11 CO 0.08 -0.22 0.28 0.00 0.24 0.00 0.00 174.94 175.32 2ida s ARG 12 N -3.25 2.25 -0.23 0.37 1.70 -0.67 -5.06 118.95 114.05 2ida s ARG 12 Ca 0.45 -2.05 -0.15 0.00 -0.47 0.00 0.00 55.73 53.52 2ida s ARG 12 Cb -0.11 -1.97 -0.04 0.00 -0.57 0.00 0.00 34.95 32.26 2ida s ARG 12 CO 0.27 -0.46 0.35 0.99 -1.08 0.00 0.00 175.30 175.37 2ida s THR 13 N -2.75 5.22 0.37 4.99 2.01 -1.26 -4.60 115.64 119.62 2ida s THR 13 Ca 0.30 0.56 0.08 0.00 0.31 0.00 0.00 61.69 62.94 2ida s THR 13 Cb -0.00 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 2ida s THR 13 CO 0.18 0.23 0.22 0.68 -0.69 0.00 0.00 174.62 175.24 2ida s VAL 14 N 1.57 2.84 -0.22 3.82 -7.23 -1.26 -5.07 120.40 114.85 2ida s VAL 14 Ca 0.15 -1.58 -0.09 0.00 -1.81 0.00 0.00 61.98 58.66 2ida s VAL 14 Cb -0.15 -3.01 -0.04 0.00 0.56 0.00 0.00 36.38 33.74 2ida s VAL 14 CO 0.08 -0.10 0.10 -0.89 -0.31 0.00 0.00 175.10 173.98 2ida s THR 15 N -2.46 4.86 -0.11 5.32 2.01 -1.26 -4.89 115.64 119.11 2ida s THR 15 Ca 0.41 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.11 2ida s THR 15 Cb -0.02 -3.24 -0.08 0.00 0.01 0.00 0.00 72.50 69.17 2ida s THR 15 CO 0.24 0.38 2.08 -2.65 -0.69 0.00 0.00 174.62 173.98 2ida n PRO 16 N 4.23 2.28 -0.15 4.92 -0.02 -1.26 -4.73 135.00 140.27 2ida n PRO 16 Ca -0.16 0.75 0.10 0.00 -2.02 0.00 0.00 63.50 62.17 2ida n PRO 16 Cb 0.52 -3.02 0.42 0.00 -0.02 0.00 0.00 33.50 31.40 2ida n PRO 16 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2ida h SER 17 N 12.41 0.53 -5.54 2.55 0.87 -1.62 -3.45 113.55 119.31 2ida h SER 17 Ca -0.44 0.01 -0.40 0.00 -1.23 0.00 0.00 61.79 59.72 2ida h SER 17 Cb 1.25 -0.10 -0.14 0.00 -0.44 0.00 0.00 62.40 62.97 2ida h SER 17 CO 0.96 0.32 -0.54 0.00 -0.53 0.00 0.00 176.83 177.04 2ida s ALA 18 N -5.55 1.73 -0.12 6.23 0.00 -1.26 -5.02 121.76 117.77 2ida s ALA 18 Ca -0.09 -1.90 -0.16 0.00 0.00 0.00 0.00 51.96 49.81 2ida s ALA 18 Cb 0.20 1.38 -0.26 0.00 0.00 0.00 0.00 23.12 24.44 2ida s ALA 18 CO 0.76 -0.61 0.48 -0.07 0.00 0.00 0.00 175.76 176.33 2ida h LEU 19 N 2.26 0.30 0.00 0.00 4.07 -1.93 -3.40 115.31 116.62 2ida h LEU 19 Ca -0.30 -0.81 0.00 0.00 0.08 0.00 0.00 57.88 56.85 2ida h LEU 19 Cb 1.24 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.88 2ida h LEU 19 CO 0.44 1.60 0.00 0.61 -1.08 0.00 0.00 178.44 180.01 2ida n GLY 20 N 1.71 5.09 3.56 0.83 0.00 -1.26 -4.74 105.19 110.38 2ida n GLY 20 Ca -0.26 -1.74 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 2ida n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ida h GLU 22 N 11.41 0.41 0.43 0.00 4.81 -1.95 0.27 114.58 129.96 2ida h GLU 22 Ca 0.06 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2ida h GLU 22 Cb 1.03 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.32 2ida h GLU 22 CO 1.26 0.27 -0.20 1.49 -0.73 0.00 0.00 179.01 181.10 2ida h GLU 23 N 0.43 -0.55 -0.01 1.92 4.81 -1.87 -3.10 114.58 116.21 2ida h GLU 23 Ca 0.65 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.88 2ida h GLU 23 Cb 1.52 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 31.02 2ida h GLU 23 CO -0.41 -0.37 -0.15 0.00 -0.73 0.00 0.00 179.01 177.35 2ida h LEU 25 N 0.01 0.00 -1.36 0.00 3.38 -0.52 0.12 115.31 116.94 2ida h LEU 25 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2ida h LEU 25 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2ida h LEU 25 CO 0.02 0.17 -0.14 0.07 0.09 0.00 0.00 178.44 178.65 2ida h LYS 26 N 0.00 0.00 -0.12 1.13 2.10 -1.37 -2.87 116.57 115.44 2ida h LYS 26 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2ida h LYS 26 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 2ida h LYS 26 CO 0.02 0.14 0.00 0.44 -2.00 0.00 0.00 179.45 178.05 2ida n ILE 27 N -3.33 1.03 -2.96 0.07 -5.35 -0.85 -4.99 119.36 102.99 2ida n ILE 27 Ca -0.00 -1.04 -0.15 0.00 -0.27 0.00 0.00 62.75 61.29 2ida n ILE 27 Cb 0.36 0.47 0.04 0.00 -1.74 0.00 0.00 39.64 38.77 2ida n ILE 27 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ida n GLY 28 N -0.19 -0.07 3.75 3.28 0.00 -0.70 -5.02 105.19 106.24 2ida n GLY 28 Ca 0.04 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 2ida n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ida s SER 29 N -2.99 5.56 0.91 1.61 0.01 0.35 -5.00 113.70 114.14 2ida s SER 29 Ca 0.28 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.73 2ida s SER 29 Cb -0.12 -1.61 0.00 0.00 0.21 0.00 0.00 66.02 64.50 2ida s SER 29 CO 0.35 0.34 0.00 -0.81 0.41 0.00 0.00 173.24 173.53 2ida n PRO 30 N 1.74 0.03 -3.81 12.44 -0.04 -1.26 -4.13 135.00 139.96 2ida n PRO 30 Ca -0.17 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.21 2ida n PRO 30 Cb 0.53 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 2ida n PRO 30 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2ida s TRP 31 N -0.91 -0.07 -0.19 0.54 -2.14 -1.26 -4.94 118.94 109.97 2ida s TRP 31 Ca 0.00 -0.30 -0.15 0.00 2.66 0.00 0.00 56.10 58.30 2ida s TRP 31 Cb 0.00 0.48 -0.08 0.00 -3.10 0.00 0.00 33.47 30.77 2ida s TRP 31 CO 0.00 -1.04 -0.25 0.28 -2.66 0.00 0.00 176.95 173.28 2ida n VAL 32 N -0.39 1.49 -4.42 -0.66 0.31 -1.26 -4.53 118.33 108.86 2ida n VAL 32 Ca -0.07 0.04 -0.22 0.00 -0.01 0.00 0.00 64.34 64.08 2ida n VAL 32 Cb 0.61 -2.24 -0.09 0.00 -0.91 0.00 0.00 33.84 31.22 2ida n VAL 32 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2ida s HIS 33 N -2.60 1.73 -0.02 3.52 0.09 -1.26 -4.79 115.29 111.96 2ida s HIS 33 Ca -0.27 -1.35 0.04 0.00 -0.00 0.00 0.00 55.06 53.48 2ida s HIS 33 Cb 0.06 -1.01 -0.01 0.00 -0.00 0.00 0.00 32.58 31.62 2ida s HIS 33 CO 0.40 -0.43 -0.14 -0.51 -0.00 0.00 0.00 174.74 174.07 2ida s LEU 34 N -3.50 1.94 0.02 0.89 1.43 -1.26 -3.91 118.68 114.29 2ida s LEU 34 Ca 0.30 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 2ida s LEU 34 Cb 0.04 -0.76 -0.01 0.00 0.03 0.00 0.00 46.19 45.48 2ida s LEU 34 CO 0.17 0.15 -0.03 -0.13 0.23 0.00 0.00 176.35 176.74 2ida s ARG 35 N -0.12 0.25 -0.02 1.70 0.52 -1.17 -1.53 118.95 118.58 2ida s ARG 35 Ca 0.01 -0.43 0.01 0.00 -0.52 0.00 0.00 55.73 54.80 2ida s ARG 35 Cb -0.08 0.02 0.01 0.00 0.52 0.00 0.00 34.95 35.42 2ida s ARG 35 CO 0.00 -0.02 -0.05 -1.50 0.02 0.00 0.00 175.30 173.76 2ida s ILE 36 N -0.98 0.45 0.55 1.52 2.07 -0.89 -1.13 121.20 122.79 2ida s ILE 36 Ca -0.10 -0.18 -0.21 0.00 -1.41 0.00 0.00 60.65 58.75 2ida s ILE 36 Cb -0.07 -0.42 -0.05 0.00 0.13 0.00 0.00 42.46 42.05 2ida s ILE 36 CO -0.01 0.16 1.26 0.00 -1.91 0.00 0.00 174.94 174.44 2ida n ARG 38 N -1.20 1.37 0.00 0.00 5.12 -0.73 -3.75 116.66 117.48 2ida n ARG 38 Ca 0.11 -0.89 0.00 0.00 -1.93 0.00 0.00 57.85 55.14 2ida n ARG 38 Cb 0.47 -1.35 0.00 0.00 -1.16 0.00 0.00 32.46 30.43 2ida n ARG 38 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2ida n THR 39 N 0.04 0.00 1.26 0.55 -1.04 -1.26 -1.67 114.28 112.15 2ida n THR 39 Ca 0.18 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.32 2ida n THR 39 Cb 0.84 0.00 0.54 0.00 -1.82 0.00 0.00 70.33 69.89 2ida n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ida n GLY 41 N 1.36 0.44 3.79 0.00 0.00 -1.25 -4.96 105.19 104.57 2ida n GLY 41 Ca 0.12 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 2ida n GLY 41 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ida s HIS 42 N -1.65 3.61 0.03 1.61 5.65 -1.26 -1.46 115.29 121.82 2ida s HIS 42 Ca 0.00 0.84 -0.18 0.00 0.25 0.00 0.00 55.06 55.97 2ida s HIS 42 Cb 0.00 -2.33 -0.06 0.00 -1.18 0.00 0.00 32.58 29.01 2ida s HIS 42 CO 0.00 0.45 0.50 0.08 -0.65 0.00 0.00 174.74 175.13 2ida s VAL 43 N -0.34 4.89 0.16 0.89 1.01 -1.26 -3.06 120.40 122.68 2ida s VAL 43 Ca 0.22 1.06 -0.03 0.00 0.00 0.00 0.00 61.98 63.22 2ida s VAL 43 Cb -0.15 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 2ida s VAL 43 CO 0.10 0.54 0.14 -0.83 0.00 0.00 0.00 175.10 175.05 2ida s GLY 44 N -0.93 0.97 0.25 4.51 0.00 -0.28 -4.19 107.32 107.64 2ida s GLY 44 Ca 0.27 -1.38 -0.30 0.00 0.00 0.00 0.00 44.72 43.31 2ida s GLY 44 CO 0.16 -1.23 0.99 0.00 0.00 0.00 0.00 173.10 173.02 2ida n ASP 47 N -3.75 0.22 0.20 0.00 5.75 -1.26 -1.69 116.55 116.02 2ida n ASP 47 Ca 0.16 0.53 0.09 0.00 -0.01 0.00 0.00 54.79 55.56 2ida n ASP 47 Cb 0.59 -0.59 0.25 0.00 -1.03 0.00 0.00 41.12 40.35 2ida n ASP 47 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 2ida h ASP 48 N 0.00 0.00 -3.31 -1.12 3.04 -1.96 -3.44 116.42 109.63 2ida h ASP 48 Ca 0.00 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 53.23 2ida h ASP 48 Cb 0.51 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.76 2ida h ASP 48 CO 0.00 0.19 -0.13 -0.44 -2.04 0.00 0.00 179.24 176.82 2ida s SER 49 N -6.21 6.71 0.33 4.15 0.01 -0.68 -4.80 113.70 113.21 2ida s SER 49 Ca 0.04 0.95 0.12 0.00 1.31 0.00 0.00 55.95 58.37 2ida s SER 49 Cb 0.07 -2.24 1.01 0.00 0.21 0.00 0.00 66.02 65.07 2ida s SER 49 CO 0.67 0.06 1.67 -0.65 0.41 0.00 0.00 173.24 175.40 2ida h PRO 50 N 3.24 0.34 -0.35 12.44 0.11 -1.87 0.68 132.00 146.58 2ida h PRO 50 Ca -0.48 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.49 2ida h PRO 50 Cb 1.18 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2ida h PRO 50 CO 0.67 0.22 -0.25 0.45 -0.21 0.00 0.00 178.00 178.89 2ida h HIS 51 N 0.35 0.81 -6.51 0.65 3.86 -1.94 -3.47 115.15 108.90 2ida h HIS 51 Ca 0.70 -0.19 -0.51 0.00 -1.16 0.00 0.00 60.37 59.21 2ida h HIS 51 Cb 1.53 -0.19 -0.10 0.00 1.06 0.00 0.00 27.41 29.71 2ida h HIS 51 CO -0.05 0.89 -0.83 1.63 0.86 0.00 0.00 177.93 180.43 2ida n LYS 52 N -4.10 -3.91 0.12 2.45 5.02 0.23 -4.87 118.16 113.09 2ida n LYS 52 Ca -0.00 0.46 -0.00 0.00 -2.02 0.00 0.00 58.31 56.74 2ida n LYS 52 Cb 0.44 -5.02 0.01 0.00 -0.02 0.00 0.00 35.03 30.44 2ida n LYS 52 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2ida h HIS 53 N -1.78 0.00 -0.92 2.13 2.76 -1.70 -3.25 115.15 112.39 2ida h HIS 53 Ca -0.60 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 57.61 2ida h HIS 53 Cb 1.38 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.28 2ida h HIS 53 CO 0.56 0.65 0.60 0.00 -1.30 0.00 0.00 177.93 178.44 2ida h ALA 54 N 1.35 1.44 -0.03 5.26 0.00 -1.10 0.58 119.26 126.77 2ida h ALA 54 Ca -0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2ida h ALA 54 Cb 1.46 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2ida h ALA 54 CO 0.08 0.45 -0.18 1.79 0.00 0.00 0.00 179.25 181.40 2ida h THR 55 N 1.12 1.49 -0.46 0.00 1.35 -1.83 -2.73 112.91 111.85 2ida h THR 55 Ca 0.37 -1.70 -0.05 0.00 -0.55 0.00 0.00 66.41 64.48 2ida h THR 55 Cb 0.07 2.52 -0.02 0.00 -1.73 0.00 0.00 68.15 68.99 2ida h THR 55 CO -0.12 0.47 0.09 0.03 -0.25 0.00 0.00 175.52 175.74 2ida h ARG 56 N -0.42 0.70 -0.57 4.72 3.08 -1.54 -2.04 114.38 118.32 2ida h ARG 56 Ca -0.01 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 2ida h ARG 56 Cb 0.86 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 2ida h ARG 56 CO 0.04 0.66 0.25 1.25 -1.07 0.00 0.00 179.97 181.09 2ida h HIS 57 N 0.68 0.80 -0.61 3.04 2.76 0.15 0.70 115.15 122.67 2ida h HIS 57 Ca 0.15 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.27 2ida h HIS 57 Cb 0.29 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 2ida h HIS 57 CO 0.01 0.60 0.31 0.35 -1.30 0.00 0.00 177.93 177.91 2ida h PHE 58 N 0.80 0.87 -0.29 5.26 3.57 -1.06 0.11 116.94 126.20 2ida h PHE 58 Ca 0.20 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 2ida h PHE 58 Cb 0.12 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 2ida h PHE 58 CO 0.01 0.65 -0.08 1.25 -2.23 0.00 0.00 178.31 177.90 2ida h HIS 59 N 0.84 0.49 0.02 0.41 2.76 -0.85 0.26 115.15 119.08 2ida h HIS 59 Ca 0.21 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 2ida h HIS 59 Cb 0.09 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 28.91 2ida h HIS 59 CO -0.00 0.55 -0.01 0.00 -1.30 0.00 0.00 177.93 177.16 2ida h ALA 60 N 1.48 -0.03 0.00 5.26 0.00 -0.44 -3.40 119.26 122.14 2ida h ALA 60 Ca 0.09 -0.37 -0.23 0.00 0.00 0.00 0.00 54.91 54.39 2ida h ALA 60 Cb 0.42 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2ida h ALA 60 CO 0.02 -0.08 -2.17 0.25 0.00 0.00 0.00 179.25 177.27 2ida n THR 61 N -4.71 0.93 -1.79 0.00 -2.24 0.34 -5.02 114.28 101.80 2ida n THR 61 Ca -0.08 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 2ida n THR 61 Cb 0.36 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 2ida n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ida n GLY 62 N 1.56 0.59 3.14 3.38 0.00 0.93 -5.05 105.19 109.74 2ida n GLY 62 Ca -0.21 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 2ida n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ida s HIS 63 N -2.72 3.49 -1.44 1.61 3.76 -1.24 -4.96 115.29 113.78 2ida s HIS 63 Ca 0.00 -2.45 0.28 0.00 -0.15 0.00 0.00 55.06 52.75 2ida s HIS 63 Cb 0.00 -3.30 1.17 0.00 1.11 0.00 0.00 32.58 31.56 2ida s HIS 63 CO 0.00 -0.91 1.84 -0.35 -0.85 0.00 0.00 174.74 174.46 2ida n PRO 64 N 4.06 0.47 -4.90 8.40 -0.04 -1.26 -4.67 135.00 137.06 2ida n PRO 64 Ca 0.03 -0.15 -0.30 0.00 -0.04 0.00 0.00 63.50 63.04 2ida n PRO 64 Cb 0.40 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.19 2ida n PRO 64 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2ida s ILE 65 N -2.63 1.77 -0.03 0.52 1.01 -1.26 -0.17 121.20 120.41 2ida s ILE 65 Ca 0.24 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 60.11 2ida s ILE 65 Cb 0.20 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 2ida s ILE 65 CO 0.51 0.49 -0.19 0.27 0.00 0.00 0.00 174.94 176.02 2ida s ILE 66 N 0.57 1.55 0.24 2.92 -4.36 -0.73 -1.76 121.20 119.62 2ida s ILE 66 Ca -0.15 -0.82 -0.12 0.00 -0.26 0.00 0.00 60.65 59.30 2ida s ILE 66 Cb -0.17 -1.30 -0.08 0.00 1.25 0.00 0.00 42.46 42.16 2ida s ILE 66 CO 0.05 0.44 0.60 -0.70 0.24 0.00 0.00 174.94 175.57 2ida s GLU 67 N -0.29 3.90 -0.65 0.37 2.56 0.24 -1.00 118.70 123.81 2ida s GLU 67 Ca 0.03 0.43 -0.28 0.00 0.00 0.00 0.00 54.97 55.15 2ida s GLU 67 Cb -0.09 -2.65 0.03 0.00 2.00 0.00 0.00 34.13 33.41 2ida s GLU 67 CO 0.00 0.31 1.29 0.20 -0.56 0.00 0.00 175.26 176.51 2ida s GLY 68 N -2.21 0.94 -0.01 -1.50 0.00 -1.10 -2.11 107.32 101.34 2ida s GLY 68 Ca 0.47 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 44.17 2ida s GLY 68 CO 0.20 2.66 0.80 -1.82 0.00 0.00 0.00 173.10 174.93 2ida h TYR 69 N 10.22 0.23 0.05 1.90 5.03 -1.74 -2.90 116.97 129.76 2ida h TYR 69 Ca -0.27 -0.17 -0.00 0.00 2.58 0.00 0.00 58.73 60.87 2ida h TYR 69 Cb 1.06 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.33 2ida h TYR 69 CO 1.08 1.24 -0.03 0.22 -1.32 0.00 0.00 178.16 179.35 2ida h ASP 70 N 0.03 -0.06 -3.70 -2.11 3.58 -1.60 -3.34 116.42 109.23 2ida h ASP 70 Ca -0.24 -0.41 -0.77 0.00 0.42 0.00 0.00 57.03 56.03 2ida h ASP 70 Cb 1.98 0.02 -0.29 0.00 1.72 0.00 0.00 39.33 42.75 2ida h ASP 70 CO 0.12 0.39 0.13 -2.16 -2.88 0.00 0.00 179.24 174.84 2ida s PRO 71 N -4.35 3.63 -1.07 0.28 0.04 -1.26 -4.96 135.00 127.31 2ida s PRO 71 Ca -0.15 -2.88 -0.20 0.00 0.04 0.00 0.00 61.00 57.81 2ida s PRO 71 Cb 0.02 -4.30 -0.07 0.00 0.04 0.00 0.00 34.50 30.18 2ida s PRO 71 CO 0.64 -1.25 1.97 -2.30 0.04 0.00 0.00 177.00 176.09 2ida n PRO 72 N 3.18 2.01 -0.00 0.56 -0.02 -1.10 -4.41 135.00 135.22 2ida n PRO 72 Ca 0.18 -2.32 0.06 0.00 -2.02 0.00 0.00 63.50 59.40 2ida n PRO 72 Cb 0.41 -3.25 -0.07 0.00 -0.02 0.00 0.00 33.50 30.57 2ida n PRO 72 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2ida n GLU 73 N 7.28 2.85 -0.88 -0.52 1.02 -1.26 -4.96 120.64 124.17 2ida n GLU 73 Ca 0.49 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 2ida n GLU 73 Cb 0.42 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 2ida n GLU 73 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ida n GLY 74 N 1.30 -0.46 3.46 0.62 0.00 -1.26 -4.56 105.19 104.30 2ida n GLY 74 Ca 0.02 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 2ida n GLY 74 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2ida s TRP 75 N -0.46 -0.56 -0.05 1.61 1.48 -1.26 0.05 118.94 119.75 2ida s TRP 75 Ca 0.00 0.84 0.04 0.00 -1.06 0.00 0.00 56.10 55.92 2ida s TRP 75 Cb 0.00 0.39 -0.00 0.00 -1.16 0.00 0.00 33.47 32.69 2ida s TRP 75 CO 0.00 -0.62 -0.17 0.20 -4.06 0.00 0.00 176.95 172.30 2ida s GLY 76 N -1.52 0.94 -0.21 3.67 0.00 0.72 -2.70 107.32 108.21 2ida s GLY 76 Ca -0.09 -0.69 -0.09 0.00 0.00 0.00 0.00 44.72 43.85 2ida s GLY 76 CO 0.05 -0.32 0.11 0.86 0.00 0.00 0.00 173.10 173.80 2ida s TRP 77 N 0.10 3.30 -0.46 1.90 -0.11 -0.17 -0.88 118.94 122.62 2ida s TRP 77 Ca -0.05 0.15 -0.15 0.00 1.22 0.00 0.00 56.10 57.27 2ida s TRP 77 Cb -0.12 -2.17 0.07 0.00 -1.50 0.00 0.00 33.47 29.74 2ida s TRP 77 CO 0.03 0.12 0.37 0.00 -4.62 0.00 0.00 176.95 172.85 2ida n TYR 79 N 5.17 0.00 0.29 0.00 4.01 0.76 0.30 117.16 127.69 2ida n TYR 79 Ca -0.12 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.77 2ida n TYR 79 Cb 0.44 -0.44 0.89 0.00 -0.31 0.00 0.00 39.34 39.92 2ida n TYR 79 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 2ida h VAL 80 N 0.00 0.50 0.02 -0.72 -1.51 -1.95 -1.11 116.25 111.48 2ida h VAL 80 Ca 0.00 -0.14 -0.25 0.00 -1.23 0.00 0.00 66.70 65.08 2ida h VAL 80 Cb 0.00 1.09 -0.03 0.00 -2.13 0.00 0.00 31.29 30.22 2ida h VAL 80 CO 0.00 0.03 -1.31 0.44 -1.23 0.00 0.00 177.57 175.50 2ida h ASP 81 N 0.00 0.08 -2.15 4.19 5.19 -1.80 -3.47 116.42 118.46 2ida h ASP 81 Ca -0.00 -0.11 -0.34 0.00 -0.62 0.00 0.00 57.03 55.96 2ida h ASP 81 Cb 0.09 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 39.54 2ida h ASP 81 CO 0.00 1.09 -0.41 -0.62 -3.12 0.00 0.00 179.24 176.18 2ida n GLU 82 N -3.29 -1.32 -4.57 3.56 1.02 0.15 -5.01 120.64 111.18 2ida n GLU 82 Ca -0.08 0.86 -0.30 0.00 -0.02 0.00 0.00 57.16 57.62 2ida n GLU 82 Cb 0.99 -5.26 -0.13 0.00 -0.02 0.00 0.00 31.44 27.02 2ida n GLU 82 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2ida s VAL 83 N -2.81 2.57 0.10 2.62 -7.23 -1.21 -4.97 120.40 109.46 2ida s VAL 83 Ca 0.00 -1.42 0.04 0.00 -1.81 0.00 0.00 61.98 58.79 2ida s VAL 83 Cb 0.00 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 2ida s VAL 83 CO 0.00 0.24 0.06 -0.32 -0.31 0.00 0.00 175.10 174.76 2ida s MET 84 N -1.69 2.75 0.21 4.82 1.75 -1.26 -1.27 119.30 124.60 2ida s MET 84 Ca 0.15 -0.78 -0.08 0.00 -1.25 0.00 0.00 55.69 53.73 2ida s MET 84 Cb -0.10 -2.64 -0.02 0.00 2.84 0.00 0.00 34.83 34.91 2ida s MET 84 CO 0.06 0.54 0.30 -0.59 -0.65 0.00 0.00 175.02 174.68 2ida s PHE 85 N -1.42 0.65 0.11 4.11 -0.12 -0.06 0.56 117.98 121.81 2ida s PHE 85 Ca 0.28 -0.97 -0.08 0.00 -0.05 0.00 0.00 56.93 56.11 2ida s PHE 85 Cb -0.12 -0.14 -0.06 0.00 -0.63 0.00 0.00 43.02 42.08 2ida s PHE 85 CO 0.21 -0.79 0.40 0.16 -0.05 0.00 0.00 175.22 175.14 2ida s ASP 86 N -3.05 6.59 -0.17 1.98 -4.77 -1.26 -0.20 116.67 115.78 2ida s ASP 86 Ca 0.27 0.73 0.20 0.00 -3.30 0.00 0.00 52.55 50.45 2ida s ASP 86 Cb 0.03 -2.15 0.46 0.00 -1.09 0.00 0.00 42.92 40.17 2ida s ASP 86 CO 0.08 0.12 1.16 0.18 0.70 0.00 0.00 175.17 177.40 2ida n LEU 87 N 0.57 2.02 -0.30 2.11 4.77 0.11 -4.72 117.00 121.56 2ida n LEU 87 Ca -0.06 -3.04 0.08 0.00 -0.03 0.00 0.00 56.01 52.97 2ida n LEU 87 Cb 0.52 0.05 0.30 0.00 -2.33 0.00 0.00 43.42 41.96 2ida n LEU 87 CO 0.44 1.05 1.23 -1.28 -1.33 0.00 0.00 177.39 177.51 2ida h SER 88 N 1.75 0.79 0.99 -1.43 0.87 -1.74 0.25 113.55 115.04 2ida h SER 88 Ca -0.08 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 2ida h SER 88 Cb 1.49 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2ida h SER 88 CO 0.21 0.44 -0.04 0.44 -0.53 0.00 0.00 176.83 177.35 2ida h ASP 89 N 0.86 0.00 0.00 6.23 3.32 -1.91 -3.14 116.42 121.78 2ida h ASP 89 Ca 0.44 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.46 2ida h ASP 89 Cb 0.50 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.99 2ida h ASP 89 CO -0.20 0.04 -0.41 0.54 -1.72 0.00 0.00 179.24 177.49 2ida n ARG 90 N -3.15 0.87 -1.77 3.56 1.74 0.15 -5.09 116.66 112.97 2ida n ARG 90 Ca 0.00 -2.33 -0.40 0.00 -0.77 0.00 0.00 57.85 54.35 2ida n ARG 90 Cb 0.32 -1.07 0.01 0.00 -1.02 0.00 0.00 32.46 30.71 2ida n ARG 90 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ida n MET 91 N -0.72 2.38 -3.51 5.56 0.00 0.65 -4.78 117.12 116.70 2ida n MET 91 Ca 0.12 0.84 -0.42 0.00 0.00 0.00 0.00 57.70 58.24 2ida n MET 91 Cb 0.75 -2.65 -0.10 0.00 0.00 0.00 0.00 33.22 31.22 2ida n MET 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2ida s THR 92 N -1.17 5.09 0.68 3.17 2.01 -1.26 -5.00 115.64 119.16 2ida s THR 92 Ca 0.59 -0.63 -0.11 0.00 0.31 0.00 0.00 61.69 61.85 2ida s THR 92 Cb -0.46 -3.79 -0.00 0.00 0.01 0.00 0.00 72.50 68.26 2ida s THR 92 CO 0.59 -0.23 1.06 -2.16 -0.69 0.00 0.00 174.62 173.19 2ida s PRO 93 N 1.66 3.07 0.62 4.92 0.04 -1.26 -4.88 135.00 139.17 2ida s PRO 93 Ca 0.04 0.83 -0.17 0.00 0.04 0.00 0.00 61.00 61.74 2ida s PRO 93 Cb -0.19 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 2ida s PRO 93 CO 0.09 -0.97 1.17 -3.38 0.04 0.00 0.00 177.00 173.95 2ida s HIS 94 N -3.12 2.43 -0.02 0.56 -3.43 -1.26 -4.74 115.29 105.72 2ida s HIS 94 Ca 0.57 1.54 -0.23 0.00 -0.80 0.00 0.00 55.06 56.14 2ida s HIS 94 Cb -0.13 -3.38 -0.17 0.00 -1.43 0.00 0.00 32.58 27.48 2ida s HIS 94 CO 0.54 -2.04 1.08 -0.97 -2.00 0.00 0.00 174.74 171.35 2ida h ASN 95 N 0.56 -0.23 0.00 7.38 -0.73 -1.85 -3.49 115.58 117.22 2ida h ASN 95 Ca -0.49 -0.29 0.00 0.00 1.87 0.00 0.00 56.30 57.38 2ida h ASN 95 Cb 1.28 0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.93 2ida h ASN 95 CO 0.54 0.24 0.00 0.61 -0.37 0.00 0.00 177.43 178.45 2ida n GLY 96 N 0.16 3.40 3.62 1.57 0.00 -1.26 -5.04 105.19 107.64 2ida n GLY 96 Ca -0.09 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 2ida n GLY 96 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2ida s PRO 97 N 1.31 3.58 -0.17 1.61 0.02 -1.26 -4.97 135.00 135.13 2ida s PRO 97 Ca 0.00 1.89 -0.16 0.00 0.02 0.00 0.00 61.00 62.75 2ida s PRO 97 Cb 0.00 -4.18 -0.04 0.00 0.02 0.00 0.00 34.50 30.30 2ida s PRO 97 CO 0.00 -1.57 0.40 0.42 -0.33 0.00 0.00 177.00 175.92 2ida s ILE 98 N 6.26 5.22 -0.42 2.83 1.01 -1.26 -4.91 121.20 129.93 2ida s ILE 98 Ca 0.84 0.75 -0.27 0.00 0.00 0.00 0.00 60.65 61.97 2ida s ILE 98 Cb -0.30 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 2ida s ILE 98 CO 0.34 0.31 2.17 -2.84 0.00 0.00 0.00 174.94 174.92 2ida s PRO 99 N 0.88 2.63 -0.06 2.79 0.02 -1.26 -4.95 135.00 135.05 2ida s PRO 99 Ca 0.21 1.42 -0.27 0.00 0.02 0.00 0.00 61.00 62.37 2ida s PRO 99 Cb -0.14 -4.44 -0.03 0.00 0.02 0.00 0.00 34.50 29.91 2ida s PRO 99 CO 0.07 -2.69 0.88 0.50 -0.33 0.00 0.00 177.00 175.44 2ida s ARG 100 N 7.19 4.47 -0.10 5.54 6.06 -1.26 -4.94 118.95 135.91 2ida s ARG 100 Ca 0.90 1.21 -0.11 0.00 -2.50 0.00 0.00 55.73 55.23 2ida s ARG 100 Cb -0.21 -3.48 -0.05 0.00 0.06 0.00 0.00 34.95 31.27 2ida s ARG 100 CO 0.28 -0.09 -0.22 0.66 -2.50 0.00 0.00 175.30 173.43 2ida n TYR 101 N 4.20 0.00 0.14 5.12 4.01 -1.26 -5.17 117.16 124.20 2ida n TYR 101 Ca 0.04 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.80 2ida n TYR 101 Cb 0.50 -0.39 0.01 0.00 -0.31 0.00 0.00 39.34 39.15 2ida n TYR 101 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73