#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 -4.15 3.17 -1.04 -0.43 -4.94 114.28 106.88 2ida n THR 2 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 2ida n THR 2 Cb 0.00 -0.41 -0.09 0.00 -1.82 0.00 0.00 70.33 68.01 2ida n THR 2 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 2ida s MET 3 N 0.00 1.16 0.00 -2.82 1.00 -1.26 -5.04 119.30 112.33 2ida s MET 3 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 55.69 54.17 2ida s MET 3 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 34.83 35.12 2ida s MET 3 CO 0.00 -0.38 0.00 0.41 0.00 0.00 0.00 175.02 175.05 2ida n GLY 4 N -0.23 -1.05 3.59 -0.03 0.00 -1.26 -4.54 105.19 101.67 2ida n GLY 4 Ca -0.01 -1.66 -0.14 0.00 0.00 0.00 0.00 46.02 44.22 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 3.86 0.00 -0.12 0.00 0.11 -2.03 0.11 114.38 116.30 2ida h ARG 6 Ca -0.27 0.00 0.04 0.00 0.10 0.00 0.00 59.98 59.85 2ida h ARG 6 Cb 1.16 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.23 2ida h ARG 6 CO 0.21 0.00 0.18 0.45 0.10 0.00 0.00 179.97 180.91 2ida h HIS 7 N 0.00 0.00 -0.00 4.08 3.86 -2.01 -1.46 115.15 119.62 2ida h HIS 7 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 2ida h HIS 7 Cb 0.70 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.17 2ida h HIS 7 CO 0.00 0.00 0.00 -0.24 0.86 0.00 0.00 177.93 178.55 2ida h VAL 8 N 0.00 0.88 0.00 2.45 3.04 -1.15 0.75 116.25 122.22 2ida h VAL 8 Ca 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.75 2ida h VAL 8 Cb 0.42 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.70 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 -2.48 1.75 0.92 3.17 0.00 -0.55 -2.25 120.51 121.07 2ida n ALA 9 Ca -0.03 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.46 2ida n ALA 9 Cb 0.09 -1.26 -0.06 0.00 0.00 0.00 0.00 19.45 18.22 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 0.15 -1.04 3.89 0.00 0.00 0.25 -4.94 105.19 103.50 2ida n GLY 10 Ca 0.04 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.04 5.24 0.38 -0.61 -4.36 -0.95 -4.81 121.20 113.05 2ida s ILE 11 Ca 0.07 -0.43 0.05 0.00 -0.26 0.00 0.00 60.65 60.09 2ida s ILE 11 Cb 0.16 -3.54 -0.02 0.00 1.25 0.00 0.00 42.46 40.31 2ida s ILE 11 CO 0.85 0.16 0.19 -2.11 0.24 0.00 0.00 174.94 174.27 2ida n ARG 12 N 0.41 0.52 -2.58 0.37 1.85 -0.58 -4.99 116.66 111.66 2ida n ARG 12 Ca -0.06 -3.41 -0.42 0.00 -1.00 0.00 0.00 57.85 52.96 2ida n ARG 12 Cb 0.51 2.16 -0.03 0.00 -1.05 0.00 0.00 32.46 34.06 2ida n ARG 12 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2ida s THR 13 N -3.18 3.93 0.48 8.89 2.01 -1.26 -4.71 115.64 121.81 2ida s THR 13 Ca 0.27 0.72 0.07 0.00 0.31 0.00 0.00 61.69 63.06 2ida s THR 13 Cb 0.01 -4.79 0.03 0.00 0.01 0.00 0.00 72.50 67.77 2ida s THR 13 CO 0.19 -1.51 0.66 0.68 -0.69 0.00 0.00 174.62 173.95 2ida s VAL 14 N 5.19 2.75 -0.23 3.82 -7.23 -1.26 -5.10 120.40 118.34 2ida s VAL 14 Ca 0.40 -0.94 -0.09 0.00 -1.81 0.00 0.00 61.98 59.55 2ida s VAL 14 Cb -0.08 -2.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 2ida s VAL 14 CO 0.22 0.00 0.11 -0.89 -0.31 0.00 0.00 175.10 174.22 2ida s THR 15 N -2.50 4.87 -0.11 5.32 2.01 -1.26 -4.99 115.64 118.98 2ida s THR 15 Ca 0.57 0.01 -0.29 0.00 0.31 0.00 0.00 61.69 62.29 2ida s THR 15 Cb -0.09 -3.25 -0.07 0.00 0.01 0.00 0.00 72.50 69.10 2ida s THR 15 CO 0.35 0.37 2.06 -2.84 -0.69 0.00 0.00 174.62 173.87 2ida s PRO 16 N 1.07 3.63 0.28 4.92 0.02 -1.26 -4.55 135.00 139.11 2ida s PRO 16 Ca 0.05 2.26 -0.01 0.00 0.02 0.00 0.00 61.00 63.32 2ida s PRO 16 Cb -0.14 -4.25 0.45 0.00 0.02 0.00 0.00 34.50 30.58 2ida s PRO 16 CO 0.04 -1.53 1.89 1.03 -0.33 0.00 0.00 177.00 178.10 2ida h SER 17 N 12.74 1.00 -4.45 2.53 0.87 -1.31 -3.44 113.55 121.48 2ida h SER 17 Ca -0.44 0.01 -0.33 0.00 -1.23 0.00 0.00 61.79 59.80 2ida h SER 17 Cb 1.23 -0.21 -0.15 0.00 -0.44 0.00 0.00 62.40 62.84 2ida h SER 17 CO 0.96 0.64 -0.64 0.00 -0.53 0.00 0.00 176.83 177.26 2ida s ALA 18 N -5.99 1.58 0.06 6.23 0.00 -1.26 -5.01 121.76 117.37 2ida s ALA 18 Ca -0.12 -1.75 -0.12 0.00 0.00 0.00 0.00 51.96 49.97 2ida s ALA 18 Cb 0.20 0.80 -0.28 0.00 0.00 0.00 0.00 23.12 23.84 2ida s ALA 18 CO 0.81 -0.39 1.12 -0.07 0.00 0.00 0.00 175.76 177.23 2ida h LEU 19 N 2.52 0.78 0.00 0.00 3.38 -1.96 -3.47 115.31 116.56 2ida h LEU 19 Ca -0.38 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 56.85 2ida h LEU 19 Cb 1.23 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2ida h LEU 19 CO 0.62 1.55 0.00 0.61 0.09 0.00 0.00 178.44 181.31 2ida n GLY 20 N 1.40 5.23 3.55 0.83 0.00 -1.26 -4.83 105.19 110.11 2ida n GLY 20 Ca -0.13 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 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 9.65 0.14 0.49 0.00 9.09 -1.95 0.12 114.58 132.13 2ida h GLU 22 Ca -0.26 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 59.13 2ida h GLU 22 Cb 1.06 -0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 28.11 2ida h GLU 22 CO 1.20 0.09 -0.41 1.49 0.05 0.00 0.00 179.01 181.44 2ida h GLU 23 N 0.15 -0.86 -0.07 1.06 4.57 -1.92 -0.60 114.58 116.91 2ida h GLU 23 Ca 0.31 0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 58.44 2ida h GLU 23 Cb 1.03 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.81 2ida h GLU 23 CO -0.05 -0.57 -0.48 0.00 -1.18 0.00 0.00 179.01 176.74 2ida h LEU 25 N 0.15 0.00 -0.45 0.00 3.38 -0.59 0.23 115.31 118.02 2ida h LEU 25 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2ida h LEU 25 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2ida h LEU 25 CO 0.07 0.00 0.00 0.07 0.09 0.00 0.00 178.44 178.67 2ida h LYS 26 N 0.00 0.00 0.00 1.13 2.10 -0.84 -3.21 116.57 115.74 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 0.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 2ida h LYS 26 CO 0.00 0.00 0.00 0.44 -2.00 0.00 0.00 179.45 177.89 2ida n ILE 27 N -2.85 0.00 -1.54 0.07 -5.35 -1.01 -5.01 119.36 103.67 2ida n ILE 27 Ca 0.03 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 2ida n ILE 27 Cb 0.42 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 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 0.30 0.46 3.86 3.28 0.00 -0.23 -5.05 105.19 107.81 2ida n GLY 28 Ca 0.00 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.93 6.70 1.08 1.61 0.01 0.64 -4.98 113.70 115.84 2ida s SER 29 Ca 0.00 0.95 -0.17 0.00 1.31 0.00 0.00 55.95 58.04 2ida s SER 29 Cb 0.00 -2.24 0.24 0.00 0.21 0.00 0.00 66.02 64.23 2ida s SER 29 CO 0.00 0.04 1.19 -2.16 0.41 0.00 0.00 173.24 172.72 2ida s PRO 30 N -2.33 -0.25 0.14 12.44 0.04 -1.26 -4.27 135.00 139.50 2ida s PRO 30 Ca 0.41 -0.13 -0.03 0.00 0.04 0.00 0.00 61.00 61.29 2ida s PRO 30 Cb -0.13 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 2ida s PRO 30 CO 0.20 -3.06 0.12 1.67 0.04 0.00 0.00 177.00 175.97 2ida s TRP 31 N -3.34 0.70 -0.20 0.56 -2.14 -1.26 -4.93 118.94 108.32 2ida s TRP 31 Ca 0.71 -1.08 -0.15 0.00 2.66 0.00 0.00 56.10 58.24 2ida s TRP 31 Cb -0.08 -0.35 -0.08 0.00 -3.10 0.00 0.00 33.47 29.86 2ida s TRP 31 CO 0.55 -0.57 -0.33 0.28 -2.66 0.00 0.00 176.95 174.22 2ida n VAL 32 N -0.12 1.45 -4.12 -0.66 0.31 -1.26 -4.38 118.33 109.55 2ida n VAL 32 Ca -0.07 -0.06 -0.11 0.00 -0.01 0.00 0.00 64.34 64.10 2ida n VAL 32 Cb 0.63 -2.11 -0.10 0.00 -0.91 0.00 0.00 33.84 31.35 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 -2.68 0.76 -0.02 3.52 3.76 -1.26 -4.88 115.29 114.48 2ida s HIS 33 Ca -0.31 -0.81 0.07 0.00 -0.15 0.00 0.00 55.06 53.86 2ida s HIS 33 Cb 0.08 -0.45 -0.02 0.00 1.11 0.00 0.00 32.58 33.30 2ida s HIS 33 CO 0.42 -0.16 -0.22 -0.51 -0.85 0.00 0.00 174.74 173.41 2ida s LEU 34 N -2.57 2.04 -0.13 0.89 1.43 -1.26 -0.50 118.68 118.57 2ida s LEU 34 Ca 0.04 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 2ida s LEU 34 Cb 0.01 -1.16 0.02 0.00 0.03 0.00 0.00 46.19 45.08 2ida s LEU 34 CO -0.04 0.27 -0.13 -0.13 0.23 0.00 0.00 176.35 176.54 2ida s ARG 35 N -0.46 2.15 -0.26 1.70 0.52 0.60 -0.94 118.95 122.26 2ida s ARG 35 Ca 0.07 -0.51 -0.14 0.00 -0.52 0.00 0.00 55.73 54.63 2ida s ARG 35 Cb -0.09 -1.97 -0.04 0.00 0.52 0.00 0.00 34.95 33.37 2ida s ARG 35 CO -0.00 -0.20 0.33 -1.50 0.02 0.00 0.00 175.30 173.95 2ida s ILE 36 N 1.41 5.21 -0.28 1.52 2.07 0.63 -0.91 121.20 130.85 2ida s ILE 36 Ca 0.02 0.50 -0.29 0.00 -1.41 0.00 0.00 60.65 59.48 2ida s ILE 36 Cb -0.13 -3.66 -0.01 0.00 0.13 0.00 0.00 42.46 38.78 2ida s ILE 36 CO -0.08 0.19 1.48 0.00 -1.91 0.00 0.00 174.94 174.62 2ida n ARG 38 N 7.63 0.64 -0.11 0.00 5.12 -1.09 -0.78 116.66 128.06 2ida n ARG 38 Ca 0.17 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.89 2ida n ARG 38 Cb 0.46 -1.28 -0.07 0.00 -1.16 0.00 0.00 32.46 30.41 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 -0.78 1.48 0.55 0.55 -1.04 -1.26 -1.52 114.28 112.26 2ida n THR 39 Ca 0.09 -0.16 0.06 0.00 -2.04 0.00 0.00 64.05 62.00 2ida n THR 39 Cb 0.04 -2.06 -0.02 0.00 -1.82 0.00 0.00 70.33 66.47 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 1.07 0.54 3.82 0.00 0.00 0.04 -4.84 105.19 105.82 2ida n GLY 41 Ca 0.04 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.04 3.65 0.64 1.61 5.65 -1.25 -0.78 115.29 122.78 2ida s HIS 42 Ca 0.00 0.84 -0.03 0.00 0.25 0.00 0.00 55.06 56.12 2ida s HIS 42 Cb 0.00 -2.25 0.05 0.00 -1.18 0.00 0.00 32.58 29.20 2ida s HIS 42 CO 0.00 0.57 0.91 0.08 -0.65 0.00 0.00 174.74 175.65 2ida s VAL 43 N -0.72 2.46 -0.17 0.89 1.01 -1.26 -0.95 120.40 121.66 2ida s VAL 43 Ca 0.21 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 2ida s VAL 43 Cb -0.15 -3.01 0.13 0.00 0.00 0.00 0.00 36.38 33.35 2ida s VAL 43 CO 0.10 -0.00 1.01 -0.83 0.00 0.00 0.00 175.10 175.37 2ida s GLY 44 N -4.48 -0.25 0.23 4.51 0.00 -0.08 -4.79 107.32 102.46 2ida s GLY 44 Ca 0.59 2.07 -0.30 0.00 0.00 0.00 0.00 44.72 47.08 2ida s GLY 44 CO 0.42 1.06 1.05 0.00 0.00 0.00 0.00 173.10 175.63 2ida n ASP 47 N -4.67 0.00 0.25 0.00 5.68 -1.26 -0.82 116.55 115.73 2ida n ASP 47 Ca 0.05 0.47 0.12 0.00 -0.50 0.00 0.00 54.79 54.92 2ida n ASP 47 Cb 0.54 -0.48 0.64 0.00 -1.14 0.00 0.00 41.12 40.68 2ida n ASP 47 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2ida h ASP 48 N 0.00 0.00 -2.98 -1.12 3.32 -1.92 -3.43 116.42 110.28 2ida h ASP 48 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 2ida h ASP 48 Cb 0.14 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.64 2ida h ASP 48 CO 0.00 0.16 -0.25 -0.55 -1.72 0.00 0.00 179.24 176.88 2ida s SER 49 N -6.18 6.72 0.49 6.45 0.15 -0.00 -4.86 113.70 116.47 2ida s SER 49 Ca -0.02 0.86 0.25 0.00 0.70 0.00 0.00 55.95 57.74 2ida s SER 49 Cb 0.12 -2.21 1.31 0.00 -1.71 0.00 0.00 66.02 63.53 2ida s SER 49 CO 0.60 0.31 1.91 1.55 1.20 0.00 0.00 173.24 178.81 2ida h PRO 50 N 4.53 0.15 -0.32 5.44 0.13 -1.85 -1.28 132.00 138.80 2ida h PRO 50 Ca -0.52 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.52 2ida h PRO 50 Cb 1.22 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2ida h PRO 50 CO 0.62 0.10 -0.12 0.45 -0.23 0.00 0.00 178.00 178.82 2ida h HIS 51 N 0.15 0.73 -6.15 1.56 3.86 -1.93 -3.47 115.15 109.90 2ida h HIS 51 Ca 0.39 -0.17 -0.44 0.00 -1.16 0.00 0.00 60.37 58.99 2ida h HIS 51 Cb 1.31 -0.17 0.02 0.00 1.06 0.00 0.00 27.41 29.63 2ida h HIS 51 CO -0.00 0.84 -0.76 1.63 0.86 0.00 0.00 177.93 180.50 2ida n LYS 52 N -4.41 -5.85 0.25 2.45 5.02 -0.48 -4.87 118.16 110.26 2ida n LYS 52 Ca -0.03 0.65 0.12 0.00 -2.02 0.00 0.00 58.31 57.04 2ida n LYS 52 Cb 0.36 -5.50 0.61 0.00 -0.02 0.00 0.00 35.03 30.48 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 -2.14 0.00 -0.06 2.13 2.76 -1.76 -1.75 115.15 114.34 2ida h HIS 53 Ca -0.59 0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 57.36 2ida h HIS 53 Cb 1.37 0.00 0.01 0.00 1.55 0.00 0.00 27.41 30.34 2ida h HIS 53 CO 0.53 0.16 -0.87 0.00 -1.30 0.00 0.00 177.93 176.44 2ida h ALA 54 N 1.84 0.35 0.17 5.26 0.00 -1.42 -2.02 119.26 123.44 2ida h ALA 54 Ca -0.00 -0.65 -0.23 0.00 0.00 0.00 0.00 54.91 54.02 2ida h ALA 54 Cb 0.54 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.35 2ida h ALA 54 CO 0.02 0.74 -1.02 1.79 0.00 0.00 0.00 179.25 180.78 2ida h THR 55 N 0.37 1.43 -0.41 0.00 1.35 -1.70 -3.27 112.91 110.67 2ida h THR 55 Ca -0.07 -2.56 -0.02 0.00 -0.55 0.00 0.00 66.41 63.21 2ida h THR 55 Cb 1.50 3.11 -0.02 0.00 -1.73 0.00 0.00 68.15 71.01 2ida h THR 55 CO 0.16 0.74 0.19 0.03 -0.25 0.00 0.00 175.52 176.40 2ida h ARG 56 N -0.18 0.57 -0.81 4.72 3.08 -1.42 -2.30 114.38 118.04 2ida h ARG 56 Ca -0.18 -0.06 0.07 0.00 0.07 0.00 0.00 59.98 59.88 2ida h ARG 56 Cb 1.80 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 31.67 2ida h ARG 56 CO 0.19 0.46 0.49 1.25 -1.07 0.00 0.00 179.97 181.29 2ida h HIS 57 N 0.58 0.91 -0.81 3.04 2.76 -1.42 -2.07 115.15 118.14 2ida h HIS 57 Ca 0.15 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.31 2ida h HIS 57 Cb 0.08 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 28.71 2ida h HIS 57 CO 0.00 0.44 0.39 0.35 -1.30 0.00 0.00 177.93 177.82 2ida h PHE 58 N 0.89 1.16 0.00 5.26 3.57 -1.47 -0.11 116.94 126.24 2ida h PHE 58 Ca 0.36 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.77 2ida h PHE 58 Cb 0.20 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 2ida h PHE 58 CO -0.04 0.84 -0.18 1.25 -2.23 0.00 0.00 178.31 177.95 2ida h HIS 59 N 1.14 0.00 0.05 0.41 2.76 -1.32 0.28 115.15 118.47 2ida h HIS 59 Ca 0.28 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 58.16 2ida h HIS 59 Cb 0.11 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.04 2ida h HIS 59 CO 0.01 0.18 -1.57 0.00 -1.30 0.00 0.00 177.93 175.24 2ida n ALA 60 N -2.37 0.83 0.02 5.26 0.00 -0.89 -4.53 120.51 118.82 2ida n ALA 60 Ca -0.02 -0.53 0.04 0.00 0.00 0.00 0.00 53.44 52.93 2ida n ALA 60 Cb 0.27 -0.60 -0.09 0.00 0.00 0.00 0.00 19.45 19.02 2ida n ALA 60 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2ida n THR 61 N -4.06 0.80 -2.27 0.00 -2.24 -0.11 -4.98 114.28 101.44 2ida n THR 61 Ca -0.32 -0.64 -0.04 0.00 -2.27 0.00 0.00 64.05 60.78 2ida n THR 61 Cb 0.83 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 1.36 0.35 3.28 3.38 0.00 0.98 -5.01 105.19 109.53 2ida n GLY 62 Ca -0.09 -0.66 -0.45 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.46 3.39 -2.01 1.61 3.76 -1.24 -4.95 115.29 113.38 2ida s HIS 63 Ca 0.03 -1.60 0.06 0.00 -0.15 0.00 0.00 55.06 53.40 2ida s HIS 63 Cb -0.01 -3.71 0.20 0.00 1.11 0.00 0.00 32.58 30.17 2ida s HIS 63 CO 0.04 -1.00 1.16 -0.35 -0.85 0.00 0.00 174.74 173.74 2ida n PRO 64 N 4.88 1.37 -4.24 8.40 -0.04 -1.26 -4.61 135.00 139.50 2ida n PRO 64 Ca -0.07 -0.58 -0.23 0.00 -0.04 0.00 0.00 63.50 62.59 2ida n PRO 64 Cb 0.41 -1.14 -0.17 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.79 0.79 0.14 0.52 1.01 -1.26 -0.09 121.20 120.52 2ida s ILE 65 Ca 0.12 -0.25 0.07 0.00 0.00 0.00 0.00 60.65 60.60 2ida s ILE 65 Cb 0.06 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 2ida s ILE 65 CO 0.09 0.29 -0.17 0.27 0.00 0.00 0.00 174.94 175.42 2ida s ILE 66 N 1.02 1.61 -0.01 2.92 -5.25 -0.81 -2.69 121.20 118.00 2ida s ILE 66 Ca -0.09 -1.82 0.07 0.00 -0.99 0.00 0.00 60.65 57.82 2ida s ILE 66 Cb -0.14 -1.70 -0.02 0.00 2.95 0.00 0.00 42.46 43.54 2ida s ILE 66 CO -0.00 -0.35 -0.22 -0.70 -1.79 0.00 0.00 174.94 171.88 2ida s GLU 67 N -2.71 2.15 -0.30 0.37 2.12 0.74 -0.33 118.70 120.73 2ida s GLU 67 Ca 0.13 -0.91 -0.29 0.00 0.36 0.00 0.00 54.97 54.26 2ida s GLU 67 Cb -0.05 -2.13 -0.02 0.00 0.26 0.00 0.00 34.13 32.18 2ida s GLU 67 CO 0.05 0.56 1.78 0.20 -0.54 0.00 0.00 175.26 177.31 2ida s GLY 68 N -0.87 0.88 -0.14 -1.50 0.00 -0.59 -0.27 107.32 104.82 2ida s GLY 68 Ca 0.11 0.33 0.14 0.00 0.00 0.00 0.00 44.72 45.30 2ida s GLY 68 CO 0.01 3.24 0.28 2.98 0.00 0.00 0.00 173.10 179.61 2ida n TYR 69 N 9.93 0.43 0.09 1.90 9.36 -0.12 -4.34 117.16 134.42 2ida n TYR 69 Ca 0.22 0.15 -0.16 0.00 3.32 0.00 0.00 57.90 61.43 2ida n TYR 69 Cb 0.46 -1.08 -0.14 0.00 -0.63 0.00 0.00 39.34 37.96 2ida n TYR 69 CO 0.00 0.00 0.00 0.38 0.22 0.00 0.00 176.86 177.46 2ida h ASP 70 N 0.00 0.41 -3.29 2.98 2.03 -1.88 -3.44 116.42 113.24 2ida h ASP 70 Ca -0.45 -0.48 -0.58 0.00 -0.73 0.00 0.00 57.03 54.79 2ida h ASP 70 Cb 2.13 -0.13 -0.07 0.00 -0.83 0.00 0.00 39.33 40.43 2ida h ASP 70 CO 0.04 1.39 0.44 -2.16 -1.03 0.00 0.00 179.24 177.92 2ida s PRO 71 N -2.64 4.29 0.00 4.15 0.05 -1.26 -4.93 135.00 134.65 2ida s PRO 71 Ca -0.06 1.05 0.00 0.00 0.05 0.00 0.00 61.00 62.05 2ida s PRO 71 Cb 0.07 -3.58 0.00 0.00 0.05 0.00 0.00 34.50 31.04 2ida s PRO 71 CO 0.87 -0.37 1.15 -2.30 0.05 0.00 0.00 177.00 176.41 2ida n PRO 72 N 5.36 0.58 -0.12 0.56 -0.02 -1.26 -3.81 135.00 136.29 2ida n PRO 72 Ca 0.05 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.31 2ida n PRO 72 Cb 0.48 -1.21 -0.08 0.00 -0.02 0.00 0.00 33.50 32.68 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 1.68 0.56 -0.67 -0.52 1.02 -1.26 -5.09 120.64 116.36 2ida n GLU 73 Ca 0.00 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 2ida n GLU 73 Cb 0.29 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 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 -0.60 3.20 0.62 0.00 -1.25 -4.76 105.19 103.75 2ida n GLY 74 Ca -0.39 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.24 0.10 0.03 1.61 1.48 -1.26 -0.10 118.94 120.56 2ida s TRP 75 Ca 0.00 -0.46 0.07 0.00 -1.06 0.00 0.00 56.10 54.65 2ida s TRP 75 Cb 0.00 -0.04 -0.02 0.00 -1.16 0.00 0.00 33.47 32.25 2ida s TRP 75 CO 0.00 -0.51 -0.21 0.20 -4.06 0.00 0.00 176.95 172.37 2ida s GLY 76 N -2.59 1.09 -0.11 3.67 0.00 0.20 -1.55 107.32 108.03 2ida s GLY 76 Ca 0.01 -1.01 0.03 0.00 0.00 0.00 0.00 44.72 43.76 2ida s GLY 76 CO -0.09 -0.91 -0.23 0.86 0.00 0.00 0.00 173.10 172.73 2ida s TRP 77 N -0.71 2.60 -0.46 1.90 -0.11 0.55 -1.19 118.94 121.53 2ida s TRP 77 Ca 0.08 -1.14 -0.16 0.00 1.22 0.00 0.00 56.10 56.09 2ida s TRP 77 Cb -0.09 -1.75 0.05 0.00 -1.50 0.00 0.00 33.47 30.19 2ida s TRP 77 CO 0.01 -0.48 0.43 0.00 -4.62 0.00 0.00 176.95 172.29 2ida h TYR 79 N 8.78 -1.32 0.00 0.00 0.05 -0.82 0.53 116.97 124.19 2ida h TYR 79 Ca -0.28 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.53 2ida h TYR 79 Cb 1.11 0.56 -0.00 0.00 1.01 0.00 0.00 36.73 39.40 2ida h TYR 79 CO 0.64 -0.53 -0.04 -0.39 -1.05 0.00 0.00 178.16 176.80 2ida h VAL 80 N -0.69 0.16 0.01 -2.88 -1.51 -1.95 -2.19 116.25 107.20 2ida h VAL 80 Ca -0.01 -0.36 -0.29 0.00 -1.23 0.00 0.00 66.70 64.81 2ida h VAL 80 Cb 0.68 1.30 -0.05 0.00 -2.13 0.00 0.00 31.29 31.09 2ida h VAL 80 CO -0.22 0.04 -1.69 0.44 -1.23 0.00 0.00 177.57 174.91 2ida h ASP 81 N 0.00 0.03 -2.49 4.19 5.19 -1.74 -3.48 116.42 118.12 2ida h ASP 81 Ca -0.00 -0.06 -0.39 0.00 -0.62 0.00 0.00 57.03 55.97 2ida h ASP 81 Cb 0.30 -0.01 -0.04 0.00 0.18 0.00 0.00 39.33 39.76 2ida h ASP 81 CO 0.00 1.05 -0.47 -0.62 -3.12 0.00 0.00 179.24 176.08 2ida n GLU 82 N -3.09 -1.51 -4.43 3.56 1.02 0.18 -5.00 120.64 111.37 2ida n GLU 82 Ca -0.17 0.97 -0.32 0.00 -0.02 0.00 0.00 57.16 57.62 2ida n GLU 82 Cb 1.05 -5.50 -0.10 0.00 -0.02 0.00 0.00 31.44 26.86 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 -2.93 3.71 -0.08 2.62 -7.23 -1.21 -4.98 120.40 110.31 2ida s VAL 83 Ca 0.00 -0.75 0.00 0.00 -1.81 0.00 0.00 61.98 59.42 2ida s VAL 83 Cb 0.00 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 2ida s VAL 83 CO 0.00 0.39 -0.08 -0.32 -0.31 0.00 0.00 175.10 174.78 2ida s MET 84 N -1.44 2.92 0.02 4.82 1.75 -1.26 -1.75 119.30 124.35 2ida s MET 84 Ca 0.17 -0.57 -0.02 0.00 -1.25 0.00 0.00 55.69 54.03 2ida s MET 84 Cb -0.11 -2.62 -0.01 0.00 2.84 0.00 0.00 34.83 34.92 2ida s MET 84 CO 0.08 0.56 0.02 -0.59 -0.65 0.00 0.00 175.02 174.44 2ida s PHE 85 N -0.53 0.20 0.49 4.11 -0.71 -0.33 -1.31 117.98 119.90 2ida s PHE 85 Ca 0.08 -0.42 -0.11 0.00 -1.04 0.00 0.00 56.93 55.44 2ida s PHE 85 Cb -0.12 -0.15 -0.06 0.00 -1.21 0.00 0.00 43.02 41.48 2ida s PHE 85 CO 0.02 -0.22 0.88 0.16 -1.34 0.00 0.00 175.22 174.72 2ida s ASP 86 N -1.45 6.43 -0.35 1.98 -4.77 -1.26 0.60 116.67 117.85 2ida s ASP 86 Ca -0.16 1.25 0.11 0.00 -3.30 0.00 0.00 52.55 50.45 2ida s ASP 86 Cb -0.09 -2.38 0.45 0.00 -1.09 0.00 0.00 42.92 39.81 2ida s ASP 86 CO -0.00 -0.58 1.10 0.18 0.70 0.00 0.00 175.17 176.57 2ida n LEU 87 N -1.87 3.71 -0.30 2.11 4.77 0.86 -4.68 117.00 121.61 2ida n LEU 87 Ca 0.04 -4.48 0.12 0.00 -0.03 0.00 0.00 56.01 51.66 2ida n LEU 87 Cb 0.54 -0.12 0.29 0.00 -2.33 0.00 0.00 43.42 41.79 2ida n LEU 87 CO 0.51 1.90 1.00 0.77 -1.33 0.00 0.00 177.39 180.24 2ida h SER 88 N 2.54 0.20 -0.37 -1.43 4.64 -1.86 0.76 113.55 118.04 2ida h SER 88 Ca 0.18 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2ida h SER 88 Cb 1.20 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2ida h SER 88 CO 0.66 -0.05 0.00 0.47 -0.87 0.00 0.00 176.83 177.04 2ida n ASP 89 N -5.11 3.21 -0.01 4.97 8.00 -1.26 -4.16 116.55 122.19 2ida n ASP 89 Ca 0.21 -1.92 0.02 0.00 0.71 0.00 0.00 54.79 53.81 2ida n ASP 89 Cb 0.64 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.47 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 1.19 5.25 -1.71 -1.24 1.74 0.35 -5.06 116.66 117.17 2ida n ARG 90 Ca 0.17 -0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.78 2ida n ARG 90 Cb 0.53 -0.73 -0.01 0.00 -1.02 0.00 0.00 32.46 31.23 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 -1.04 2.28 -3.27 5.56 0.00 0.24 -4.90 117.12 115.99 2ida n MET 91 Ca 0.01 0.80 -0.41 0.00 0.00 0.00 0.00 57.70 58.10 2ida n MET 91 Cb 0.07 -2.44 -0.08 0.00 0.00 0.00 0.00 33.22 30.77 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 -0.87 5.05 0.46 3.17 2.01 -1.26 -5.07 115.64 119.13 2ida s THR 92 Ca 0.57 0.42 -0.23 0.00 0.31 0.00 0.00 61.69 62.77 2ida s THR 92 Cb -0.55 -3.91 -0.08 0.00 0.01 0.00 0.00 72.50 67.97 2ida s THR 92 CO 0.60 -0.12 1.13 -2.84 -0.69 0.00 0.00 174.62 172.69 2ida s PRO 93 N 2.32 3.80 0.20 4.92 0.02 -1.26 -4.96 135.00 140.04 2ida s PRO 93 Ca 0.18 1.67 -0.32 0.00 0.02 0.00 0.00 61.00 62.56 2ida s PRO 93 Cb -0.16 -2.37 -0.11 0.00 0.02 0.00 0.00 34.50 31.89 2ida s PRO 93 CO 0.12 -0.49 1.64 -3.38 -0.33 0.00 0.00 177.00 174.56 2ida s HIS 94 N -1.63 2.96 -2.27 6.54 -3.43 -1.26 -4.87 115.29 111.34 2ida s HIS 94 Ca 0.64 0.53 0.29 0.00 -0.80 0.00 0.00 55.06 55.71 2ida s HIS 94 Cb -0.26 -4.03 1.33 0.00 -1.43 0.00 0.00 32.58 28.19 2ida s HIS 94 CO 0.31 -3.82 1.90 0.27 -2.00 0.00 0.00 174.74 171.41 2ida n ASN 95 N 3.76 0.94 -3.38 7.38 6.94 -1.26 -4.89 115.26 124.76 2ida n ASN 95 Ca 0.14 -1.26 -0.08 0.00 -0.02 0.00 0.00 54.58 53.35 2ida n ASN 95 Cb 0.37 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 2ida n ASN 95 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2ida s GLY 96 N -2.04 0.21 -0.27 4.83 0.00 -1.26 -5.09 107.32 103.69 2ida s GLY 96 Ca 0.40 -0.59 -0.29 0.00 0.00 0.00 0.00 44.72 44.24 2ida s GLY 96 CO 0.36 -0.25 1.53 2.56 0.00 0.00 0.00 173.10 177.30 2ida s PRO 97 N -3.09 3.77 -0.41 2.90 0.04 -1.26 -4.99 135.00 131.97 2ida s PRO 97 Ca 0.14 1.46 -0.18 0.00 0.04 0.00 0.00 61.00 62.46 2ida s PRO 97 Cb -0.05 -4.01 0.01 0.00 0.04 0.00 0.00 34.50 30.50 2ida s PRO 97 CO 0.10 -1.32 0.52 0.42 0.04 0.00 0.00 177.00 176.75 2ida s ILE 98 N 5.14 4.99 0.12 0.56 1.01 -1.26 -4.98 121.20 126.79 2ida s ILE 98 Ca 0.67 -0.03 -0.31 0.00 0.00 0.00 0.00 60.65 60.98 2ida s ILE 98 Cb -0.21 -4.06 -0.10 0.00 0.01 0.00 0.00 42.46 38.09 2ida s ILE 98 CO 0.28 -0.42 1.86 -2.65 0.00 0.00 0.00 174.94 174.01 2ida n PRO 99 N 5.83 2.84 -2.72 2.79 -0.02 -1.26 -4.93 135.00 137.54 2ida n PRO 99 Ca -0.05 1.03 -0.42 0.00 -2.02 0.00 0.00 63.50 62.04 2ida n PRO 99 Cb 0.48 -2.94 -0.03 0.00 -0.02 0.00 0.00 33.50 30.98 2ida n PRO 99 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2ida s ARG 100 N 2.85 3.22 0.11 -0.52 3.00 -1.26 -4.83 118.95 121.52 2ida s ARG 100 Ca 0.82 -0.42 0.16 0.00 -1.00 0.00 0.00 55.73 55.29 2ida s ARG 100 Cb -0.47 -4.16 -0.10 0.00 0.00 0.00 0.00 34.95 30.23 2ida s ARG 100 CO 0.37 -1.86 0.99 1.88 0.00 0.00 0.00 175.30 176.68 2ida h TYR 101 N 9.68 0.00 -0.01 5.12 0.05 -1.92 -3.53 116.97 126.37 2ida h TYR 101 Ca -0.28 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.50 2ida h TYR 101 Cb 1.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.80 2ida h TYR 101 CO 1.02 0.60 0.00 1.33 -1.05 0.00 0.00 178.16 180.06