#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 0.00 -1.96 3.17 5.66 0.11 -4.99 114.28 116.27 2ida n THR 2 Ca 0.00 -2.08 -0.40 0.00 -3.05 0.00 0.00 64.05 58.52 2ida n THR 2 Cb 0.00 0.99 -0.01 0.00 -1.55 0.00 0.00 70.33 69.76 2ida n THR 2 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 2ida s MET 3 N -3.19 4.10 0.69 1.09 1.75 -1.26 -4.24 119.30 118.24 2ida s MET 3 Ca 0.31 2.34 -0.14 0.00 -1.25 0.00 0.00 55.69 56.95 2ida s MET 3 Cb 0.02 -2.91 0.02 0.00 2.84 0.00 0.00 34.83 34.80 2ida s MET 3 CO 0.22 -0.45 1.12 0.20 -0.65 0.00 0.00 175.02 175.46 2ida s GLY 4 N -0.45 2.11 0.21 2.11 0.00 -1.26 -4.73 107.32 105.31 2ida s GLY 4 Ca 0.54 0.56 0.08 0.00 0.00 0.00 0.00 44.72 45.90 2ida s GLY 4 CO 0.56 0.92 0.01 0.00 0.00 0.00 0.00 173.10 174.58 2ida h ARG 6 N 2.34 0.00 -0.04 0.00 0.11 -2.04 0.17 114.38 114.93 2ida h ARG 6 Ca -0.46 0.00 0.01 0.00 0.10 0.00 0.00 59.98 59.63 2ida h ARG 6 Cb 1.22 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.30 2ida h ARG 6 CO 0.59 0.00 0.06 0.45 0.10 0.00 0.00 179.97 181.17 2ida h HIS 7 N 0.00 0.00 -0.05 4.08 3.86 -2.02 -1.07 115.15 119.95 2ida h HIS 7 Ca 0.05 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.28 2ida h HIS 7 Cb 0.65 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.12 2ida h HIS 7 CO 0.00 0.00 0.04 -0.24 0.86 0.00 0.00 177.93 178.59 2ida h VAL 8 N 0.00 0.73 0.00 2.45 3.04 -1.01 0.05 116.25 121.51 2ida h VAL 8 Ca 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 2ida h VAL 8 Cb 0.14 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.39 2ida h VAL 8 CO -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.56 2ida n ALA 9 N -2.43 1.67 -0.07 3.17 0.00 -0.41 -2.50 120.51 119.95 2ida n ALA 9 Ca -0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.30 2ida n ALA 9 Cb 0.14 -1.27 -0.15 0.00 0.00 0.00 0.00 19.45 18.17 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 0.02 -0.96 3.82 0.00 0.00 -0.01 -4.95 105.19 103.12 2ida n GLY 10 Ca 0.03 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.53 4.50 0.36 -0.61 -4.36 -1.04 -4.95 121.20 112.56 2ida s ILE 11 Ca -0.09 1.32 0.05 0.00 -0.26 0.00 0.00 60.65 61.67 2ida s ILE 11 Cb 0.07 -3.74 -0.02 0.00 1.25 0.00 0.00 42.46 40.02 2ida s ILE 11 CO 0.82 -0.07 0.20 -2.11 0.24 0.00 0.00 174.94 174.02 2ida n ARG 12 N -0.01 0.50 -2.38 0.37 0.00 -1.10 -4.95 116.66 109.10 2ida n ARG 12 Ca 0.03 -3.30 -0.42 0.00 -0.00 0.00 0.00 57.85 54.16 2ida n ARG 12 Cb 0.52 2.17 -0.02 0.00 -0.00 0.00 0.00 32.46 35.13 2ida n ARG 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2ida s THR 13 N -3.16 3.85 0.26 8.89 2.01 -1.26 -4.77 115.64 121.46 2ida s THR 13 Ca 0.28 0.80 0.06 0.00 0.31 0.00 0.00 61.69 63.13 2ida s THR 13 Cb 0.01 -4.34 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 2ida s THR 13 CO 0.20 -0.98 0.33 0.68 -0.69 0.00 0.00 174.62 174.16 2ida s VAL 14 N 5.77 4.89 -0.21 3.82 -7.23 -1.26 -5.09 120.40 121.08 2ida s VAL 14 Ca 0.56 -1.09 -0.14 0.00 -1.81 0.00 0.00 61.98 59.50 2ida s VAL 14 Cb -0.12 -3.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.09 2ida s VAL 14 CO 0.29 -0.31 0.31 -0.89 -0.31 0.00 0.00 175.10 174.18 2ida s THR 15 N -2.05 5.26 -0.13 5.32 2.01 -1.26 -4.94 115.64 119.85 2ida s THR 15 Ca 0.35 0.51 -0.29 0.00 0.31 0.00 0.00 61.69 62.58 2ida s THR 15 Cb -0.09 -3.64 -0.06 0.00 0.01 0.00 0.00 72.50 68.72 2ida s THR 15 CO 0.28 0.30 2.11 -2.16 -0.69 0.00 0.00 174.62 174.46 2ida s PRO 16 N 1.14 3.49 0.00 4.92 0.04 -1.26 -4.59 135.00 138.74 2ida s PRO 16 Ca 0.15 2.21 0.23 0.00 0.04 0.00 0.00 61.00 63.63 2ida s PRO 16 Cb -0.14 -4.29 1.00 0.00 0.04 0.00 0.00 34.50 31.10 2ida s PRO 16 CO 0.06 -1.70 1.75 -1.13 0.04 0.00 0.00 177.00 176.02 2ida n SER 17 N 10.19 0.00 -3.59 6.66 3.41 -0.70 -4.80 113.62 124.79 2ida n SER 17 Ca 0.26 0.49 -0.15 0.00 -0.26 0.00 0.00 58.87 59.21 2ida n SER 17 Cb 0.44 -0.50 -0.06 0.00 -0.26 0.00 0.00 64.21 63.83 2ida n SER 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ida s ALA 18 N -2.99 -1.35 -0.06 7.33 0.00 -1.26 -4.99 121.76 118.44 2ida s ALA 18 Ca 0.11 0.75 -0.24 0.00 0.00 0.00 0.00 51.96 52.59 2ida s ALA 18 Cb 0.15 0.22 -0.27 0.00 0.00 0.00 0.00 23.12 23.22 2ida s ALA 18 CO 0.42 -0.42 0.93 -0.07 0.00 0.00 0.00 175.76 176.62 2ida h LEU 19 N 3.04 0.32 0.00 0.00 -0.00 -1.97 -3.44 115.31 113.26 2ida h LEU 19 Ca -0.29 -0.89 0.00 0.00 -0.00 0.00 0.00 57.88 56.69 2ida h LEU 19 Cb 1.18 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 2ida h LEU 19 CO 0.40 1.18 0.00 0.61 -0.00 0.00 0.00 178.44 180.63 2ida n GLY 20 N 1.41 3.61 3.55 0.83 0.00 -1.26 -4.88 105.19 108.46 2ida n GLY 20 Ca -0.11 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.40 2ida n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ida s GLU 22 N 5.90 2.25 0.00 0.00 2.56 -1.25 -2.39 118.70 125.76 2ida s GLU 22 Ca 0.42 0.06 0.00 0.00 0.00 0.00 0.00 54.97 55.45 2ida s GLU 22 Cb -0.08 -4.92 0.00 0.00 2.00 0.00 0.00 34.13 31.13 2ida s GLU 22 CO 0.13 -3.67 0.00 -1.91 -0.56 0.00 0.00 175.26 169.24 2ida n GLU 23 N 8.87 0.00 0.19 4.30 4.07 -1.26 -4.90 120.64 131.91 2ida n GLU 23 Ca 0.41 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.54 2ida n GLU 23 Cb 0.46 0.00 0.39 0.00 -0.06 0.00 0.00 31.44 32.24 2ida n GLU 23 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2ida h LEU 25 N 0.00 0.00 -0.63 0.00 3.38 -1.70 0.12 115.31 116.48 2ida h LEU 25 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2ida h LEU 25 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2ida h LEU 25 CO 0.04 0.00 -0.48 0.07 0.09 0.00 0.00 178.44 178.16 2ida h LYS 26 N 0.00 0.00 0.00 1.13 2.10 -1.79 -3.29 116.57 114.72 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 0.20 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.53 2ida h LYS 26 CO 0.00 0.48 -1.46 0.44 -2.00 0.00 0.00 179.45 176.92 2ida n ILE 27 N -3.47 0.02 -0.28 0.07 -5.35 -0.85 -5.01 119.36 104.48 2ida n ILE 27 Ca 0.00 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 2ida n ILE 27 Cb 0.61 0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.75 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 1.95 1.70 3.82 3.28 0.00 0.22 -5.09 105.19 111.07 2ida n GLY 28 Ca -0.02 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 2ida n GLY 28 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ida s SER 29 N -2.15 7.04 0.68 1.61 0.15 -0.12 -4.99 113.70 115.93 2ida s SER 29 Ca 0.00 1.34 0.00 0.00 0.70 0.00 0.00 55.95 57.99 2ida s SER 29 Cb 0.00 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2ida s SER 29 CO 0.00 0.12 0.00 -2.65 1.20 0.00 0.00 173.24 171.91 2ida n PRO 30 N 1.04 0.26 -3.83 5.44 -0.02 -1.26 -4.45 135.00 132.17 2ida n PRO 30 Ca -0.05 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.37 2ida n PRO 30 Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.97 2ida n PRO 30 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2ida s TRP 31 N -0.68 -0.17 -0.05 6.00 -2.14 -1.26 -4.98 118.94 115.66 2ida s TRP 31 Ca 0.00 -0.26 -0.04 0.00 2.66 0.00 0.00 56.10 58.46 2ida s TRP 31 Cb 0.00 0.69 -0.01 0.00 -3.10 0.00 0.00 33.47 31.05 2ida s TRP 31 CO 0.00 -1.14 -0.08 0.28 -2.66 0.00 0.00 176.95 173.35 2ida n VAL 32 N -0.47 0.46 -4.33 -0.66 0.31 -1.26 -4.57 118.33 107.81 2ida n VAL 32 Ca -0.05 0.40 -0.19 0.00 -0.01 0.00 0.00 64.34 64.49 2ida n VAL 32 Cb 0.59 -1.78 -0.13 0.00 -0.91 0.00 0.00 33.84 31.61 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 -1.49 1.06 -0.15 3.52 0.09 -1.26 -4.49 115.29 112.57 2ida s HIS 33 Ca -0.07 -0.31 -0.07 0.00 -0.00 0.00 0.00 55.06 54.61 2ida s HIS 33 Cb 0.01 -0.64 -0.04 0.00 -0.00 0.00 0.00 32.58 31.91 2ida s HIS 33 CO 0.10 0.01 0.09 -0.51 -0.00 0.00 0.00 174.74 174.43 2ida s LEU 34 N -0.92 4.03 -0.04 0.89 1.43 -1.26 -1.98 118.68 120.83 2ida s LEU 34 Ca 0.01 0.23 0.04 0.00 -1.03 0.00 0.00 54.13 53.38 2ida s LEU 34 Cb -0.07 -2.00 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 2ida s LEU 34 CO 0.01 0.27 -0.16 -0.13 0.23 0.00 0.00 176.35 176.57 2ida s ARG 35 N -0.22 1.61 -0.15 1.70 0.52 -0.74 -0.75 118.95 120.91 2ida s ARG 35 Ca 0.09 -0.57 -0.13 0.00 -0.52 0.00 0.00 55.73 54.61 2ida s ARG 35 Cb -0.12 -1.43 -0.05 0.00 0.52 0.00 0.00 34.95 33.88 2ida s ARG 35 CO 0.01 0.25 0.26 -1.50 0.02 0.00 0.00 175.30 174.33 2ida s ILE 36 N -0.01 5.33 -0.37 1.52 2.07 0.11 -2.86 121.20 126.98 2ida s ILE 36 Ca -0.02 0.47 -0.29 0.00 -1.41 0.00 0.00 60.65 59.40 2ida s ILE 36 Cb -0.10 -3.59 0.01 0.00 0.13 0.00 0.00 42.46 38.91 2ida s ILE 36 CO 0.01 0.43 1.28 0.00 -1.91 0.00 0.00 174.94 174.76 2ida n ARG 38 N 7.63 0.61 -0.09 0.00 5.12 -0.74 -0.65 116.66 128.53 2ida n ARG 38 Ca 0.15 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.96 2ida n ARG 38 Cb 0.48 -1.36 -0.04 0.00 -1.16 0.00 0.00 32.46 30.38 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 -0.86 1.48 0.34 0.55 -1.04 -1.26 -2.72 114.28 110.77 2ida n THR 39 Ca 0.11 0.10 0.09 0.00 -2.04 0.00 0.00 64.05 62.31 2ida n THR 39 Cb 0.05 -2.30 -0.13 0.00 -1.82 0.00 0.00 70.33 66.13 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 1.44 0.67 3.82 0.00 0.00 0.17 -4.81 105.19 106.48 2ida n GLY 41 Ca -0.01 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.00 3.66 -0.04 1.61 5.65 -1.25 -1.72 115.29 121.20 2ida s HIS 42 Ca 0.00 0.86 -0.01 0.00 0.25 0.00 0.00 55.06 56.16 2ida s HIS 42 Cb 0.00 -2.26 -0.04 0.00 -1.18 0.00 0.00 32.58 29.10 2ida s HIS 42 CO 0.00 0.56 0.05 0.08 -0.65 0.00 0.00 174.74 174.78 2ida s VAL 43 N -0.72 4.57 0.16 0.89 1.01 -1.26 -0.98 120.40 124.08 2ida s VAL 43 Ca 0.22 -0.34 -0.25 0.00 0.00 0.00 0.00 61.98 61.61 2ida s VAL 43 Cb -0.15 -3.03 0.06 0.00 0.00 0.00 0.00 36.38 33.26 2ida s VAL 43 CO 0.10 0.45 0.91 -0.83 0.00 0.00 0.00 175.10 175.73 2ida s GLY 44 N -1.40 -0.23 0.15 4.51 0.00 -1.14 -3.91 107.32 105.30 2ida s GLY 44 Ca 0.19 0.11 -0.30 0.00 0.00 0.00 0.00 44.72 44.72 2ida s GLY 44 CO 0.09 0.01 1.21 0.00 0.00 0.00 0.00 173.10 174.41 2ida h ASP 47 N 0.00 0.00 -0.85 0.00 3.58 -1.90 0.11 116.42 117.36 2ida h ASP 47 Ca 0.00 0.00 0.17 0.00 0.42 0.00 0.00 57.03 57.62 2ida h ASP 47 Cb 0.00 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 40.99 2ida h ASP 47 CO 0.00 0.00 0.56 0.44 -2.88 0.00 0.00 179.24 177.36 2ida h ASP 48 N 0.00 0.43 -3.12 2.28 5.19 -1.91 -3.42 116.42 115.87 2ida h ASP 48 Ca 0.02 0.03 -0.64 0.00 -0.62 0.00 0.00 57.03 55.82 2ida h ASP 48 Cb 0.18 -0.05 -0.09 0.00 0.18 0.00 0.00 39.33 39.56 2ida h ASP 48 CO -0.00 0.20 -0.58 -0.44 -3.12 0.00 0.00 179.24 175.30 2ida s SER 49 N -5.77 5.68 0.38 6.45 0.01 0.03 -4.82 113.70 115.65 2ida s SER 49 Ca -0.08 0.09 0.27 0.00 1.31 0.00 0.00 55.95 57.54 2ida s SER 49 Cb 0.22 -1.60 1.27 0.00 0.21 0.00 0.00 66.02 66.12 2ida s SER 49 CO 0.78 0.21 1.82 1.55 0.41 0.00 0.00 173.24 178.02 2ida h PRO 50 N 3.61 0.00 0.00 12.44 0.13 -1.83 -1.69 132.00 144.66 2ida h PRO 50 Ca -0.47 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.49 2ida h PRO 50 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2ida h PRO 50 CO 0.65 0.00 -0.80 1.25 -0.23 0.00 0.00 178.00 178.88 2ida h HIS 51 N 0.00 0.00 -6.52 1.56 2.76 -1.93 -3.47 115.15 107.55 2ida h HIS 51 Ca 0.00 0.00 -0.51 0.00 -2.20 0.00 0.00 60.37 57.66 2ida h HIS 51 Cb 0.25 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 29.11 2ida h HIS 51 CO 0.00 0.80 -0.84 1.63 -1.30 0.00 0.00 177.93 178.22 2ida n LYS 52 N -3.51 -3.84 0.19 5.26 5.02 -0.64 -4.84 118.16 115.81 2ida n LYS 52 Ca -0.00 0.45 0.04 0.00 -2.02 0.00 0.00 58.31 56.78 2ida n LYS 52 Cb 0.79 -4.99 0.40 0.00 -0.02 0.00 0.00 35.03 31.20 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 -1.77 0.00 0.00 2.13 2.76 -1.44 -1.74 115.15 115.09 2ida h HIS 53 Ca -0.60 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 57.31 2ida h HIS 53 Cb 1.38 0.00 0.02 0.00 1.55 0.00 0.00 27.41 30.35 2ida h HIS 53 CO 0.56 0.35 -1.03 0.00 -1.30 0.00 0.00 177.93 176.51 2ida h ALA 54 N 1.65 0.19 0.09 5.26 0.00 -1.07 -2.59 119.26 122.79 2ida h ALA 54 Ca -0.00 -0.70 -0.23 0.00 0.00 0.00 0.00 54.91 53.97 2ida h ALA 54 Cb 0.68 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.53 2ida h ALA 54 CO 0.05 0.72 -0.97 1.79 0.00 0.00 0.00 179.25 180.83 2ida h THR 55 N 0.35 1.37 0.00 0.00 1.35 -1.76 -2.78 112.91 111.45 2ida h THR 55 Ca -0.12 -2.36 -0.05 0.00 -0.55 0.00 0.00 66.41 63.33 2ida h THR 55 Cb 1.67 2.77 -0.01 0.00 -1.73 0.00 0.00 68.15 70.86 2ida h THR 55 CO 0.20 0.70 -0.23 0.03 -0.25 0.00 0.00 175.52 175.96 2ida h ARG 56 N 0.04 0.00 -0.24 4.72 3.08 -1.45 -1.37 114.38 119.15 2ida h ARG 56 Ca -0.15 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 2ida h ARG 56 Cb 1.69 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.73 2ida h ARG 56 CO 0.19 0.23 0.10 1.25 -1.07 0.00 0.00 179.97 180.68 2ida h HIS 57 N 0.00 0.36 -0.92 3.04 2.76 -1.40 -2.44 115.15 116.55 2ida h HIS 57 Ca -0.00 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.13 2ida h HIS 57 Cb 0.49 -0.11 -0.04 0.00 1.55 0.00 0.00 27.41 29.29 2ida h HIS 57 CO 0.00 0.37 0.51 0.35 -1.30 0.00 0.00 177.93 177.86 2ida h PHE 58 N 0.25 1.25 0.00 5.26 3.57 -1.10 0.27 116.94 126.43 2ida h PHE 58 Ca 0.08 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 2ida h PHE 58 Cb 0.15 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 38.49 2ida h PHE 58 CO -0.01 0.85 -0.03 1.25 -2.23 0.00 0.00 178.31 178.14 2ida h HIS 59 N 1.28 0.00 0.00 0.41 2.76 -1.04 0.17 115.15 118.73 2ida h HIS 59 Ca 0.32 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 58.19 2ida h HIS 59 Cb 0.01 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 28.93 2ida h HIS 59 CO 0.01 0.03 -1.79 0.00 -1.30 0.00 0.00 177.93 174.88 2ida n ALA 60 N -2.39 0.97 0.10 5.26 0.00 -0.76 -4.62 120.51 119.07 2ida n ALA 60 Ca -0.03 -0.81 -0.02 0.00 0.00 0.00 0.00 53.44 52.58 2ida n ALA 60 Cb 0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2ida n ALA 60 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2ida h THR 61 N -1.00 1.17 -1.59 0.00 1.35 -0.49 -3.48 112.91 108.87 2ida h THR 61 Ca -0.46 -2.69 -0.11 0.00 -0.55 0.00 0.00 66.41 62.61 2ida h THR 61 Cb 1.36 2.56 0.02 0.00 -1.73 0.00 0.00 68.15 70.36 2ida h THR 61 CO -0.28 0.67 -0.16 0.61 -0.25 0.00 0.00 175.52 176.11 2ida n GLY 62 N 1.30 0.37 3.26 5.82 0.00 0.60 -5.01 105.19 111.53 2ida n GLY 62 Ca -0.00 -0.54 -0.44 0.00 0.00 0.00 0.00 46.02 45.05 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 3.43 -0.71 1.61 3.76 -1.25 -4.95 115.29 114.47 2ida s HIS 63 Ca 0.08 -1.76 0.26 0.00 -0.15 0.00 0.00 55.06 53.49 2ida s HIS 63 Cb -0.04 -3.65 0.76 0.00 1.11 0.00 0.00 32.58 30.76 2ida s HIS 63 CO 0.10 -0.99 1.75 -1.00 -0.85 0.00 0.00 174.74 173.75 2ida h PRO 64 N 8.35 0.00 -5.18 8.40 0.13 -1.93 -3.42 132.00 138.34 2ida h PRO 64 Ca -0.16 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.32 2ida h PRO 64 Cb 1.07 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.96 2ida h PRO 64 CO 0.89 0.00 -0.69 0.42 -0.23 0.00 0.00 178.00 178.39 2ida s ILE 65 N -3.11 3.70 0.16 -3.56 1.01 -1.25 0.52 121.20 118.67 2ida s ILE 65 Ca 0.10 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.39 2ida s ILE 65 Cb 0.12 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 2ida s ILE 65 CO 0.61 0.46 -0.10 0.27 0.00 0.00 0.00 174.94 176.18 2ida s ILE 66 N 0.79 1.22 0.05 2.92 -4.36 0.02 -1.80 121.20 120.05 2ida s ILE 66 Ca -0.01 -2.08 0.06 0.00 -0.26 0.00 0.00 60.65 58.36 2ida s ILE 66 Cb -0.15 -1.92 -0.03 0.00 1.25 0.00 0.00 42.46 41.62 2ida s ILE 66 CO 0.02 -0.69 -0.17 -0.70 0.24 0.00 0.00 174.94 173.64 2ida s GLU 67 N -3.75 1.08 -0.36 0.37 2.12 0.11 0.22 118.70 118.49 2ida s GLU 67 Ca 0.19 -0.89 -0.29 0.00 0.36 0.00 0.00 54.97 54.34 2ida s GLU 67 Cb 0.02 -1.16 -0.01 0.00 0.26 0.00 0.00 34.13 33.25 2ida s GLU 67 CO 0.02 0.28 1.64 0.20 -0.54 0.00 0.00 175.26 176.86 2ida s GLY 68 N -1.32 0.92 -0.20 -1.50 0.00 -1.24 0.08 107.32 104.06 2ida s GLY 68 Ca 0.04 0.09 -0.03 0.00 0.00 0.00 0.00 44.72 44.81 2ida s GLY 68 CO 0.02 3.06 0.02 2.98 0.00 0.00 0.00 173.10 179.18 2ida n TYR 69 N 9.67 0.54 -0.04 1.90 9.36 -0.66 -3.62 117.16 134.31 2ida n TYR 69 Ca 0.20 0.12 -0.13 0.00 3.32 0.00 0.00 57.90 61.42 2ida n TYR 69 Cb 0.47 -1.07 -0.07 0.00 -0.63 0.00 0.00 39.34 38.04 2ida n TYR 69 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 2ida h ASP 70 N -0.05 0.25 -3.77 2.98 1.82 -1.26 -3.34 116.42 113.05 2ida h ASP 70 Ca -0.52 -0.41 -0.79 0.00 -0.39 0.00 0.00 57.03 54.92 2ida h ASP 70 Cb 1.92 -0.07 -0.26 0.00 0.68 0.00 0.00 39.33 41.60 2ida h ASP 70 CO -0.04 0.61 0.15 -2.16 -1.61 0.00 0.00 179.24 176.19 2ida s PRO 71 N -4.56 3.67 -0.97 0.28 0.04 -1.26 -4.96 135.00 127.22 2ida s PRO 71 Ca -0.14 -2.52 -0.24 0.00 0.04 0.00 0.00 61.00 58.13 2ida s PRO 71 Cb 0.05 -4.45 0.01 0.00 0.04 0.00 0.00 34.50 30.14 2ida s PRO 71 CO 0.72 -1.30 1.67 -2.14 0.04 0.00 0.00 177.00 176.00 2ida s PRO 72 N 0.08 3.14 -0.00 0.56 0.02 -1.24 -4.54 135.00 133.01 2ida s PRO 72 Ca 0.20 -0.77 0.07 0.00 0.02 0.00 0.00 61.00 60.51 2ida s PRO 72 Cb -0.10 -5.23 -0.09 0.00 0.02 0.00 0.00 34.50 29.10 2ida s PRO 72 CO -0.09 -2.73 0.29 0.39 -0.33 0.00 0.00 177.00 174.53 2ida n GLU 73 N 8.86 3.79 -1.54 5.54 1.02 -1.26 -5.05 120.64 132.00 2ida n GLU 73 Ca 0.36 -0.01 -0.00 0.00 -0.02 0.00 0.00 57.16 57.49 2ida n GLU 73 Cb 0.49 -0.91 0.00 0.00 -0.02 0.00 0.00 31.44 31.01 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 1.34 0.21 3.03 0.62 0.00 -1.26 -4.65 105.19 104.47 2ida n GLY 74 Ca 0.01 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.00 0.14 -0.22 1.61 1.48 -1.26 -0.79 118.94 116.89 2ida s TRP 75 Ca 0.01 -0.31 -0.02 0.00 -1.06 0.00 0.00 56.10 54.72 2ida s TRP 75 Cb -0.00 -0.11 0.01 0.00 -1.16 0.00 0.00 33.47 32.21 2ida s TRP 75 CO 0.02 -0.22 -0.09 0.20 -4.06 0.00 0.00 176.95 172.79 2ida s GLY 76 N -1.33 1.55 -0.17 3.67 0.00 0.10 -3.59 107.32 107.56 2ida s GLY 76 Ca -0.14 -1.30 -0.16 0.00 0.00 0.00 0.00 44.72 43.11 2ida s GLY 76 CO 0.00 0.42 0.39 0.86 0.00 0.00 0.00 173.10 174.78 2ida s TRP 77 N 1.36 3.43 -0.41 1.90 -0.11 0.13 -1.80 118.94 123.44 2ida s TRP 77 Ca 0.03 0.68 -0.07 0.00 1.22 0.00 0.00 56.10 57.97 2ida s TRP 77 Cb -0.15 -2.48 0.09 0.00 -1.50 0.00 0.00 33.47 29.43 2ida s TRP 77 CO -0.06 0.10 0.23 0.00 -4.62 0.00 0.00 176.95 172.60 2ida h TYR 79 N 8.27 -1.26 0.00 0.00 0.05 -0.26 0.87 116.97 124.65 2ida h TYR 79 Ca -0.20 0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.65 2ida h TYR 79 Cb 1.07 0.62 -0.00 0.00 1.01 0.00 0.00 36.73 39.43 2ida h TYR 79 CO 0.60 -0.43 -0.03 -0.39 -1.05 0.00 0.00 178.16 176.87 2ida h VAL 80 N -0.27 0.09 0.03 -2.88 -1.51 -1.95 -2.87 116.25 106.89 2ida h VAL 80 Ca 0.16 -0.43 -0.36 0.00 -1.23 0.00 0.00 66.70 64.84 2ida h VAL 80 Cb 0.57 1.39 -0.05 0.00 -2.13 0.00 0.00 31.29 31.07 2ida h VAL 80 CO -0.64 0.03 -2.18 0.47 -1.23 0.00 0.00 177.57 174.02 2ida n ASP 81 N -3.16 1.25 -1.94 4.19 9.92 -0.24 -4.98 116.55 121.59 2ida n ASP 81 Ca -0.01 0.10 -0.17 0.00 -0.53 0.00 0.00 54.79 54.18 2ida n ASP 81 Cb 0.25 -0.07 -0.01 0.00 -0.64 0.00 0.00 41.12 40.65 2ida n ASP 81 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2ida n GLU 82 N -3.13 -1.37 -4.53 -1.24 1.02 0.29 -5.01 120.64 106.66 2ida n GLU 82 Ca -0.33 0.86 -0.30 0.00 -0.02 0.00 0.00 57.16 57.36 2ida n GLU 82 Cb 1.06 -5.31 -0.12 0.00 -0.02 0.00 0.00 31.44 27.06 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 -2.85 2.92 -0.33 2.62 -7.23 -1.24 -4.97 120.40 109.32 2ida s VAL 83 Ca 0.00 -1.23 -0.03 0.00 -1.81 0.00 0.00 61.98 58.91 2ida s VAL 83 Cb 0.00 -2.27 0.06 0.00 0.56 0.00 0.00 36.38 34.73 2ida s VAL 83 CO 0.00 0.27 0.06 -0.32 -0.31 0.00 0.00 175.10 174.80 2ida s MET 84 N -1.66 2.42 0.34 4.82 1.75 -1.26 -2.13 119.30 123.58 2ida s MET 84 Ca 0.16 -1.32 0.06 0.00 -1.25 0.00 0.00 55.69 53.34 2ida s MET 84 Cb -0.11 -3.32 -0.01 0.00 2.84 0.00 0.00 34.83 34.24 2ida s MET 84 CO 0.07 -0.70 0.48 -0.59 -0.65 0.00 0.00 175.02 173.64 2ida s PHE 85 N 1.28 3.10 0.03 4.11 -0.12 -0.75 -0.71 117.98 124.92 2ida s PHE 85 Ca -0.02 -0.21 -0.19 0.00 -0.05 0.00 0.00 56.93 56.45 2ida s PHE 85 Cb -0.20 -2.03 -0.06 0.00 -0.63 0.00 0.00 43.02 40.10 2ida s PHE 85 CO -0.00 -0.05 0.56 0.16 -0.05 0.00 0.00 175.22 175.83 2ida s ASP 86 N -4.19 7.00 -0.06 1.98 -4.77 -1.26 0.03 116.67 115.40 2ida s ASP 86 Ca 0.46 1.18 0.12 0.00 -3.30 0.00 0.00 52.55 51.01 2ida s ASP 86 Cb -0.10 -2.35 0.23 0.00 -1.09 0.00 0.00 42.92 39.62 2ida s ASP 86 CO 0.31 0.21 1.11 0.18 0.70 0.00 0.00 175.17 177.68 2ida n LEU 87 N 2.15 1.13 -0.25 2.11 4.77 0.03 -4.77 117.00 122.17 2ida n LEU 87 Ca -0.09 -2.11 0.04 0.00 -0.03 0.00 0.00 56.01 53.82 2ida n LEU 87 Cb 0.51 -0.17 0.28 0.00 -2.33 0.00 0.00 43.42 41.71 2ida n LEU 87 CO 0.42 0.57 1.24 -1.28 -1.33 0.00 0.00 177.39 177.01 2ida h SER 88 N 0.39 0.82 -0.01 -1.43 0.87 -1.63 0.45 113.55 113.02 2ida h SER 88 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2ida h SER 88 Cb 1.39 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2ida h SER 88 CO 0.03 0.54 0.00 0.47 -0.53 0.00 0.00 176.83 177.33 2ida n ASP 89 N -4.47 1.00 -0.17 6.23 8.00 -1.26 -3.52 116.55 122.35 2ida n ASP 89 Ca 0.12 -1.34 0.03 0.00 0.71 0.00 0.00 54.79 54.31 2ida n ASP 89 Cb 0.18 -0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.32 2ida n ASP 89 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ida n ARG 90 N -0.21 0.94 -1.92 -1.24 1.74 0.56 -5.10 116.66 111.43 2ida n ARG 90 Ca 0.21 -1.40 -0.34 0.00 -0.77 0.00 0.00 57.85 55.55 2ida n ARG 90 Cb 0.27 -0.87 0.03 0.00 -1.02 0.00 0.00 32.46 30.88 2ida n ARG 90 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ida s MET 91 N -0.96 2.99 -0.32 5.56 0.23 0.13 -4.85 119.30 122.07 2ida s MET 91 Ca 0.08 1.45 -0.25 0.00 -1.03 0.00 0.00 55.69 55.95 2ida s MET 91 Cb 0.07 -1.97 0.01 0.00 -1.53 0.00 0.00 34.83 31.41 2ida s MET 91 CO 0.01 -1.11 0.87 0.99 -2.03 0.00 0.00 175.02 173.74 2ida s THR 92 N -2.17 4.70 0.64 3.16 2.01 -1.26 -5.05 115.64 117.67 2ida s THR 92 Ca 0.69 1.27 -0.13 0.00 0.31 0.00 0.00 61.69 63.83 2ida s THR 92 Cb -0.21 -4.24 -0.02 0.00 0.01 0.00 0.00 72.50 68.04 2ida s THR 92 CO 0.37 -0.36 1.05 -2.16 -0.69 0.00 0.00 174.62 172.83 2ida s PRO 93 N 3.19 3.18 -0.13 4.92 0.04 -1.26 -4.97 135.00 139.97 2ida s PRO 93 Ca 0.36 1.03 -0.19 0.00 0.04 0.00 0.00 61.00 62.24 2ida s PRO 93 Cb -0.13 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 2ida s PRO 93 CO 0.14 -0.91 0.51 -3.38 0.04 0.00 0.00 177.00 173.40 2ida s HIS 94 N -2.81 3.50 -0.97 0.56 -3.43 -1.26 -4.93 115.29 105.94 2ida s HIS 94 Ca 0.60 0.91 0.24 0.00 -0.80 0.00 0.00 55.06 56.01 2ida s HIS 94 Cb -0.14 -2.60 0.27 0.00 -1.43 0.00 0.00 32.58 28.67 2ida s HIS 94 CO 0.47 0.11 1.24 0.27 -2.00 0.00 0.00 174.74 174.83 2ida n ASN 95 N 3.88 0.65 -3.50 7.38 0.23 -1.26 -4.97 115.26 117.66 2ida n ASN 95 Ca -0.06 -0.45 -0.12 0.00 -0.53 0.00 0.00 54.58 53.42 2ida n ASN 95 Cb 0.51 0.49 -0.04 0.00 -2.08 0.00 0.00 39.78 38.66 2ida n ASN 95 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2ida s GLY 96 N -3.05 1.14 -0.32 4.83 0.00 -1.26 -5.13 107.32 103.52 2ida s GLY 96 Ca 0.10 -1.29 -0.26 0.00 0.00 0.00 0.00 44.72 43.26 2ida s GLY 96 CO 0.75 -0.87 0.93 2.56 0.00 0.00 0.00 173.10 176.47 2ida s PRO 97 N -3.35 4.00 -0.16 2.90 0.05 -1.26 -5.04 135.00 132.14 2ida s PRO 97 Ca 0.28 0.81 -0.15 0.00 0.05 0.00 0.00 61.00 61.99 2ida s PRO 97 Cb -0.00 -3.74 -0.04 0.00 0.05 0.00 0.00 34.50 30.77 2ida s PRO 97 CO 0.16 -0.80 0.34 0.42 0.05 0.00 0.00 177.00 177.16 2ida s ILE 98 N 3.31 5.27 -0.28 0.56 1.01 -1.26 -5.00 121.20 124.81 2ida s ILE 98 Ca 0.39 0.63 -0.28 0.00 0.00 0.00 0.00 60.65 61.38 2ida s ILE 98 Cb -0.13 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 2ida s ILE 98 CO 0.14 0.35 2.04 -2.16 0.00 0.00 0.00 174.94 175.31 2ida s PRO 99 N 0.65 3.18 -0.37 2.79 0.04 -1.26 -4.95 135.00 135.09 2ida s PRO 99 Ca 0.18 1.73 -0.25 0.00 0.04 0.00 0.00 61.00 62.71 2ida s PRO 99 Cb -0.14 -4.30 0.01 0.00 0.04 0.00 0.00 34.50 30.11 2ida s PRO 99 CO 0.05 -2.04 0.87 0.50 0.04 0.00 0.00 177.00 176.42 2ida s ARG 100 N 6.11 3.80 0.00 4.56 3.00 -1.26 -4.90 118.95 130.26 2ida s ARG 100 Ca 0.91 0.46 0.19 0.00 -1.00 0.00 0.00 55.73 56.29 2ida s ARG 100 Cb -0.28 -3.81 -0.16 0.00 0.00 0.00 0.00 34.95 30.71 2ida s ARG 100 CO 0.34 -0.91 0.83 0.66 0.00 0.00 0.00 175.30 176.22 2ida n TYR 101 N 6.63 0.00 1.56 5.12 4.01 -1.26 -5.16 117.16 128.05 2ida n TYR 101 Ca 0.05 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.92 2ida n TYR 101 Cb 0.48 0.00 0.74 0.00 -0.31 0.00 0.00 39.34 40.25 2ida n TYR 101 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73