#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ida s THR 2 N 0.00 0.02 0.04 1.12 2.01 -1.26 -4.91 115.64 112.67 2ida s THR 2 Ca 0.00 -0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 2ida s THR 2 Cb 0.00 -0.62 -0.09 0.00 0.01 0.00 0.00 72.50 71.80 2ida s THR 2 CO 0.00 -0.09 1.97 0.23 -0.69 0.00 0.00 174.62 176.04 2ida n MET 3 N 2.15 2.88 -2.36 4.92 2.81 -1.26 -4.39 117.12 121.87 2ida n MET 3 Ca -0.17 1.05 -0.42 0.00 -1.81 0.00 0.00 57.70 56.36 2ida n MET 3 Cb 0.57 -3.01 -0.03 0.00 -0.71 0.00 0.00 33.22 30.04 2ida n MET 3 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2ida s GLY 4 N 4.36 1.95 1.04 3.03 0.00 -1.26 -4.97 107.32 111.47 2ida s GLY 4 Ca 0.89 0.71 -0.12 0.00 0.00 0.00 0.00 44.72 46.19 2ida s GLY 4 CO 0.42 2.37 1.07 0.00 0.00 0.00 0.00 173.10 176.96 2ida h ARG 6 N -2.16 0.00 -0.03 0.00 -0.00 -2.02 0.84 114.38 111.00 2ida h ARG 6 Ca -0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.41 2ida h ARG 6 Cb 1.31 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.28 2ida h ARG 6 CO 0.52 0.00 -0.08 0.45 -0.00 0.00 0.00 179.97 180.86 2ida h HIS 7 N 0.00 0.04 0.00 4.08 3.86 -2.01 -2.29 115.15 118.83 2ida h HIS 7 Ca 0.05 -0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.18 2ida h HIS 7 Cb 0.65 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 2ida h HIS 7 CO 0.00 0.12 -0.36 0.28 0.86 0.00 0.00 177.93 178.84 2ida h VAL 8 N 0.04 1.20 0.00 2.45 2.07 -1.14 -2.49 116.25 118.38 2ida h VAL 8 Ca 0.01 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.27 2ida h VAL 8 Cb 0.17 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2ida h VAL 8 CO 0.01 0.35 0.00 0.00 0.02 0.00 0.00 177.57 177.95 2ida n ALA 9 N -2.45 1.47 0.00 1.67 0.00 -0.86 -2.04 120.51 118.30 2ida n ALA 9 Ca -0.02 0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.51 2ida n ALA 9 Cb 0.40 -1.28 0.08 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.42 1.85 3.89 0.00 0.00 -0.94 -4.99 105.19 104.57 2ida n GLY 10 Ca 0.02 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.89 5.32 0.20 -0.61 -4.36 -0.87 -4.96 121.20 115.04 2ida s ILE 11 Ca 0.13 -0.26 0.03 0.00 -0.26 0.00 0.00 60.65 60.29 2ida s ILE 11 Cb 0.07 -3.51 -0.01 0.00 1.25 0.00 0.00 42.46 40.26 2ida s ILE 11 CO 0.10 0.28 0.10 -2.11 0.24 0.00 0.00 174.94 173.55 2ida n ARG 12 N 0.80 0.59 -2.99 0.37 1.85 -0.72 -5.03 116.66 111.53 2ida n ARG 12 Ca -0.10 -1.81 -0.41 0.00 -1.00 0.00 0.00 57.85 54.53 2ida n ARG 12 Cb 0.52 1.12 -0.05 0.00 -1.05 0.00 0.00 32.46 33.01 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 -2.46 4.92 0.25 8.89 2.01 -1.26 -4.63 115.64 123.36 2ida s THR 13 Ca 0.14 1.41 0.01 0.00 0.31 0.00 0.00 61.69 63.56 2ida s THR 13 Cb 0.01 -4.05 0.01 0.00 0.01 0.00 0.00 72.50 68.48 2ida s THR 13 CO 0.10 0.02 0.07 1.33 -0.69 0.00 0.00 174.62 175.44 2ida n VAL 14 N 4.97 0.00 -4.69 3.82 0.24 -1.26 -5.07 118.33 116.33 2ida n VAL 14 Ca 0.02 -1.09 -0.29 0.00 -2.04 0.00 0.00 64.34 60.94 2ida n VAL 14 Cb 0.49 0.05 -0.17 0.00 -1.47 0.00 0.00 33.84 32.74 2ida n VAL 14 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2ida s THR 15 N -1.65 1.61 0.56 3.34 2.01 -1.26 -4.78 115.64 115.47 2ida s THR 15 Ca 0.05 -0.73 -0.21 0.00 0.31 0.00 0.00 61.69 61.11 2ida s THR 15 Cb -0.00 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 2ida s THR 15 CO 0.03 0.46 1.28 -2.84 -0.69 0.00 0.00 174.62 172.86 2ida s PRO 16 N 0.74 3.11 0.11 4.92 0.02 -1.24 -4.49 135.00 138.18 2ida s PRO 16 Ca -0.11 2.03 0.05 0.00 0.02 0.00 0.00 61.00 62.99 2ida s PRO 16 Cb -0.16 -2.14 -0.23 0.00 0.02 0.00 0.00 34.50 32.00 2ida s PRO 16 CO 0.02 -1.15 1.25 1.03 -0.33 0.00 0.00 177.00 177.82 2ida h SER 17 N 1.28 0.09 -2.22 2.53 0.87 -1.77 -3.48 113.55 110.84 2ida h SER 17 Ca -0.51 -0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 59.92 2ida h SER 17 Cb 1.30 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 2ida h SER 17 CO 0.57 1.07 -0.04 0.00 -0.53 0.00 0.00 176.83 177.90 2ida n ALA 18 N -2.39 0.06 0.89 6.23 0.00 -1.26 -5.03 120.51 119.01 2ida n ALA 18 Ca -0.02 -0.17 0.09 0.00 0.00 0.00 0.00 53.44 53.34 2ida n ALA 18 Cb 0.96 0.14 0.27 0.00 0.00 0.00 0.00 19.45 20.81 2ida n ALA 18 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ida n LEU 19 N 0.00 2.07 0.00 0.00 4.77 -1.26 -4.93 117.00 117.65 2ida n LEU 19 Ca 0.01 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 2ida n LEU 19 Cb 0.05 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2ida n LEU 19 CO 0.03 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 2ida n GLY 20 N 1.17 0.94 3.59 -0.72 0.00 -1.26 -4.34 105.19 104.57 2ida n GLY 20 Ca 0.15 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 13.02 1.04 -0.47 0.00 3.07 -1.96 -0.52 114.58 128.76 2ida h GLU 22 Ca -0.31 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 58.44 2ida h GLU 22 Cb 1.16 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 28.81 2ida h GLU 22 CO 1.09 0.69 0.08 1.49 -1.40 0.00 0.00 179.01 180.96 2ida h GLU 23 N 1.07 0.78 -0.16 2.33 4.57 -1.89 -2.09 114.58 119.19 2ida h GLU 23 Ca 0.47 -0.20 -0.10 0.00 -1.18 0.00 0.00 59.36 58.34 2ida h GLU 23 Cb 0.34 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 2ida h GLU 23 CO -0.22 0.78 -0.33 0.00 -1.18 0.00 0.00 179.01 178.06 2ida h LEU 25 N 0.27 0.00 -1.33 0.00 3.38 -0.73 0.29 115.31 117.19 2ida h LEU 25 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2ida h LEU 25 Cb 0.72 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 2ida h LEU 25 CO 0.05 0.16 -0.05 0.07 0.09 0.00 0.00 178.44 178.76 2ida h LYS 26 N 0.00 0.00 0.00 1.13 2.10 -0.88 -2.75 116.57 116.17 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 0.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 2ida h LYS 26 CO 0.02 0.05 0.00 0.44 -2.00 0.00 0.00 179.45 177.96 2ida n ILE 27 N -3.16 0.82 -3.58 0.07 -5.35 -1.01 -5.00 119.36 102.14 2ida n ILE 27 Ca 0.01 -0.90 -0.22 0.00 -0.27 0.00 0.00 62.75 61.36 2ida n ILE 27 Cb 0.34 0.59 0.07 0.00 -1.74 0.00 0.00 39.64 38.91 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 -0.41 -0.46 3.52 3.28 0.00 -0.65 -5.00 105.19 105.48 2ida n GLY 28 Ca 0.00 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.77 4.17 0.90 1.61 0.01 -0.00 -5.01 113.70 111.61 2ida s SER 29 Ca 0.34 -0.32 -0.12 0.00 1.31 0.00 0.00 55.95 57.16 2ida s SER 29 Cb -0.16 -0.81 0.13 0.00 0.21 0.00 0.00 66.02 65.40 2ida s SER 29 CO 0.75 0.25 1.11 -2.16 0.41 0.00 0.00 173.24 173.60 2ida s PRO 30 N -1.54 1.24 0.21 12.44 0.04 -1.26 -4.42 135.00 141.70 2ida s PRO 30 Ca 0.16 0.52 0.02 0.00 0.04 0.00 0.00 61.00 61.74 2ida s PRO 30 Cb -0.11 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 2ida s PRO 30 CO 0.07 -2.18 0.04 1.67 0.04 0.00 0.00 177.00 176.64 2ida s TRP 31 N -3.12 1.33 -0.08 0.56 -2.14 -1.26 -5.02 118.94 109.21 2ida s TRP 31 Ca 0.63 -1.09 -0.05 0.00 2.66 0.00 0.00 56.10 58.25 2ida s TRP 31 Cb -0.16 -0.76 -0.02 0.00 -3.10 0.00 0.00 33.47 29.43 2ida s TRP 31 CO 0.55 -0.27 -0.11 0.28 -2.66 0.00 0.00 176.95 174.75 2ida n VAL 32 N -0.33 0.81 -4.06 -0.66 0.31 -1.26 -4.11 118.33 109.04 2ida n VAL 32 Ca -0.04 0.34 -0.09 0.00 -0.01 0.00 0.00 64.34 64.54 2ida n VAL 32 Cb 0.64 -2.01 -0.09 0.00 -0.91 0.00 0.00 33.84 31.47 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 -1.72 0.61 -0.02 3.52 0.09 -1.26 -4.79 115.29 111.71 2ida s HIS 33 Ca -0.09 -1.02 0.08 0.00 -0.00 0.00 0.00 55.06 54.03 2ida s HIS 33 Cb 0.01 -0.31 -0.02 0.00 -0.00 0.00 0.00 32.58 32.26 2ida s HIS 33 CO 0.13 -0.55 -0.25 -0.51 -0.00 0.00 0.00 174.74 173.56 2ida s LEU 34 N -2.98 2.05 -0.15 0.89 1.43 -1.26 -1.80 118.68 116.86 2ida s LEU 34 Ca 0.17 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 2ida s LEU 34 Cb 0.06 -1.30 0.02 0.00 0.03 0.00 0.00 46.19 45.01 2ida s LEU 34 CO -0.02 0.30 -0.14 -0.13 0.23 0.00 0.00 176.35 176.58 2ida s ARG 35 N -0.54 2.32 -0.08 1.70 0.52 0.21 -1.96 118.95 121.12 2ida s ARG 35 Ca 0.08 -0.57 0.00 0.00 -0.52 0.00 0.00 55.73 54.73 2ida s ARG 35 Cb -0.10 -2.10 -0.03 0.00 0.52 0.00 0.00 34.95 33.24 2ida s ARG 35 CO -0.01 -0.22 -0.08 -1.50 0.02 0.00 0.00 175.30 173.52 2ida s ILE 36 N 1.44 3.61 0.54 1.52 2.07 0.18 -1.52 121.20 129.04 2ida s ILE 36 Ca 0.04 -0.50 -0.21 0.00 -1.41 0.00 0.00 60.65 58.57 2ida s ILE 36 Cb -0.13 -2.49 -0.05 0.00 0.13 0.00 0.00 42.46 39.92 2ida s ILE 36 CO -0.10 0.58 1.22 0.00 -1.91 0.00 0.00 174.94 174.73 2ida n ARG 38 N -1.12 2.13 0.00 0.00 5.12 -1.07 -3.62 116.66 118.11 2ida n ARG 38 Ca 0.11 -1.19 0.00 0.00 -1.93 0.00 0.00 57.85 54.84 2ida n ARG 38 Cb 0.48 -1.67 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 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 0.10 0.00 0.43 0.55 -1.04 -1.26 -1.75 114.28 111.31 2ida n THR 39 Ca 0.15 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.28 2ida n THR 39 Cb 0.74 -0.46 0.19 0.00 -1.82 0.00 0.00 70.33 68.98 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 1.25 0.49 3.83 0.00 0.00 -1.24 -4.85 105.19 104.68 2ida n GLY 41 Ca 0.03 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.95 3.72 0.40 1.61 5.65 -1.26 -2.08 115.29 121.38 2ida s HIS 42 Ca 0.00 1.16 0.05 0.00 0.25 0.00 0.00 55.06 56.52 2ida s HIS 42 Cb 0.00 -2.43 0.00 0.00 -1.18 0.00 0.00 32.58 28.98 2ida s HIS 42 CO 0.00 0.53 0.57 0.08 -0.65 0.00 0.00 174.74 175.27 2ida s VAL 43 N -1.25 3.71 -0.21 0.89 1.01 -1.26 -2.61 120.40 120.68 2ida s VAL 43 Ca 0.32 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 2ida s VAL 43 Cb -0.17 -3.31 0.14 0.00 0.00 0.00 0.00 36.38 33.04 2ida s VAL 43 CO 0.18 -0.16 1.09 -0.83 0.00 0.00 0.00 175.10 175.39 2ida s GLY 44 N -4.24 -0.15 0.41 4.51 0.00 -0.57 -4.49 107.32 102.78 2ida s GLY 44 Ca 0.49 2.36 -0.24 0.00 0.00 0.00 0.00 44.72 47.33 2ida s GLY 44 CO 0.34 1.23 1.10 0.00 0.00 0.00 0.00 173.10 175.77 2ida h ASP 47 N -2.42 0.00 0.38 0.00 2.03 -1.93 -1.22 116.42 113.26 2ida h ASP 47 Ca -0.60 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 55.66 2ida h ASP 47 Cb 1.34 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.83 2ida h ASP 47 CO 0.53 0.00 -0.18 -0.78 -1.03 0.00 0.00 179.24 177.78 2ida h ASP 48 N 0.00 0.00 -3.53 4.15 3.58 -1.97 -3.42 116.42 115.23 2ida h ASP 48 Ca 0.00 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.92 2ida h ASP 48 Cb 0.49 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.51 2ida h ASP 48 CO 0.00 0.18 0.16 -0.44 -2.88 0.00 0.00 179.24 176.26 2ida s SER 49 N -6.43 7.32 0.63 2.28 0.01 -0.46 -4.96 113.70 112.09 2ida s SER 49 Ca -0.03 1.60 0.41 0.00 1.31 0.00 0.00 55.95 59.24 2ida s SER 49 Cb 0.13 -2.48 2.12 0.00 0.21 0.00 0.00 66.02 66.01 2ida s SER 49 CO 0.63 0.17 2.25 1.55 0.41 0.00 0.00 173.24 178.26 2ida h PRO 50 N 4.14 0.00 -0.01 12.44 0.13 -1.83 -2.20 132.00 144.66 2ida h PRO 50 Ca -0.47 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.44 2ida h PRO 50 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ida h PRO 50 CO 0.66 0.00 -0.92 1.25 -0.23 0.00 0.00 178.00 178.76 2ida h HIS 51 N 0.00 0.62 -6.25 1.56 2.76 -1.92 -3.48 115.15 108.44 2ida h HIS 51 Ca 0.00 -0.33 -0.44 0.00 -2.20 0.00 0.00 60.37 57.40 2ida h HIS 51 Cb 0.14 -0.07 0.08 0.00 1.55 0.00 0.00 27.41 29.10 2ida h HIS 51 CO 0.00 1.14 -0.93 1.63 -1.30 0.00 0.00 177.93 178.47 2ida n LYS 52 N -3.76 -1.48 0.08 5.26 5.02 -0.83 -4.91 118.16 117.54 2ida n LYS 52 Ca -0.06 0.45 -0.17 0.00 -2.02 0.00 0.00 58.31 56.51 2ida n LYS 52 Cb 0.82 -4.17 -0.09 0.00 -0.02 0.00 0.00 35.03 31.57 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 -1.90 0.71 -0.49 2.13 2.76 -1.64 -3.09 115.15 113.62 2ida h HIS 53 Ca -0.66 -0.43 -0.09 0.00 -2.20 0.00 0.00 60.37 56.99 2ida h HIS 53 Cb 1.36 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 30.24 2ida h HIS 53 CO 0.35 1.28 -0.06 0.00 -1.30 0.00 0.00 177.93 178.20 2ida h ALA 54 N 0.57 0.97 -0.01 5.26 0.00 -1.25 -0.63 119.26 124.17 2ida h ALA 54 Ca -0.12 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 2ida h ALA 54 Cb 1.77 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.37 2ida h ALA 54 CO 0.19 0.62 -0.30 1.79 0.00 0.00 0.00 179.25 181.55 2ida h THR 55 N 0.79 1.51 -0.64 0.00 1.35 -1.79 -1.49 112.91 112.64 2ida h THR 55 Ca 0.14 -1.91 -0.05 0.00 -0.55 0.00 0.00 66.41 64.03 2ida h THR 55 Cb 0.56 2.67 -0.03 0.00 -1.73 0.00 0.00 68.15 69.62 2ida h THR 55 CO 0.03 0.53 0.19 0.03 -0.25 0.00 0.00 175.52 176.05 2ida h ARG 56 N -0.40 0.98 -0.64 4.72 3.08 -1.54 -2.04 114.38 118.54 2ida h ARG 56 Ca -0.03 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.77 2ida h ARG 56 Cb 1.03 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.91 2ida h ARG 56 CO 0.06 0.85 0.23 1.25 -1.07 0.00 0.00 179.97 181.29 2ida h HIS 57 N 0.95 1.00 -0.33 3.04 2.76 -1.14 -1.21 115.15 120.22 2ida h HIS 57 Ca 0.21 -0.09 0.04 0.00 -2.20 0.00 0.00 60.37 58.34 2ida h HIS 57 Cb 0.29 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 28.91 2ida h HIS 57 CO 0.02 0.80 0.09 0.35 -1.30 0.00 0.00 177.93 177.89 2ida h PHE 58 N 0.91 0.15 -0.06 5.26 3.57 -0.73 0.66 116.94 126.70 2ida h PHE 58 Ca 0.21 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 2ida h PHE 58 Cb 0.24 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2ida h PHE 58 CO 0.02 0.05 -0.30 1.25 -2.23 0.00 0.00 178.31 177.10 2ida h HIS 59 N 0.22 0.12 0.08 0.41 2.76 -1.18 0.46 115.15 118.02 2ida h HIS 59 Ca 0.15 -0.02 -0.28 0.00 -2.20 0.00 0.00 60.37 58.02 2ida h HIS 59 Cb 0.15 -0.03 0.02 0.00 1.55 0.00 0.00 27.41 29.09 2ida h HIS 59 CO -0.16 0.40 -1.15 0.00 -1.30 0.00 0.00 177.93 175.72 2ida h ALA 60 N 1.60 0.11 0.00 5.26 0.00 -0.44 -3.38 119.26 122.40 2ida h ALA 60 Ca 0.01 -0.77 -0.23 0.00 0.00 0.00 0.00 54.91 53.92 2ida h ALA 60 Cb 0.59 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2ida h ALA 60 CO 0.04 0.76 -1.88 0.25 0.00 0.00 0.00 179.25 178.42 2ida n THR 61 N -3.75 0.88 -1.59 0.00 -2.24 0.15 -5.03 114.28 102.70 2ida n THR 61 Ca -0.11 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 2ida n THR 61 Cb 0.95 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 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 2.23 0.68 3.04 3.38 0.00 0.16 -5.06 105.19 109.62 2ida n GLY 62 Ca -0.21 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.56 3.42 -0.49 1.61 3.76 -1.21 -4.97 115.29 114.85 2ida s HIS 63 Ca 0.00 -2.86 0.25 0.00 -0.15 0.00 0.00 55.06 52.30 2ida s HIS 63 Cb 0.00 -3.04 0.61 0.00 1.11 0.00 0.00 32.58 31.26 2ida s HIS 63 CO 0.00 -0.85 1.70 -1.00 -0.85 0.00 0.00 174.74 173.74 2ida h PRO 64 N 7.11 0.00 -5.02 8.40 0.13 -1.93 -3.43 132.00 137.26 2ida h PRO 64 Ca -0.06 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.43 2ida h PRO 64 Cb 0.96 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.86 2ida h PRO 64 CO 0.68 0.00 -0.63 0.42 -0.23 0.00 0.00 178.00 178.23 2ida s ILE 65 N -3.22 4.21 0.16 -3.56 1.01 -1.26 0.04 121.20 118.58 2ida s ILE 65 Ca 0.08 -0.21 0.08 0.00 0.00 0.00 0.00 60.65 60.59 2ida s ILE 65 Cb 0.08 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 2ida s ILE 65 CO 0.62 0.37 -0.17 0.27 0.00 0.00 0.00 174.94 176.04 2ida s ILE 66 N 1.38 1.70 0.06 2.92 -5.25 -0.12 -2.60 121.20 119.28 2ida s ILE 66 Ca 0.05 -1.90 0.09 0.00 -0.99 0.00 0.00 60.65 57.90 2ida s ILE 66 Cb -0.15 -1.79 -0.03 0.00 2.95 0.00 0.00 42.46 43.44 2ida s ILE 66 CO 0.03 -0.37 -0.25 -0.70 -1.79 0.00 0.00 174.94 171.86 2ida s GLU 67 N -2.86 1.60 -0.44 0.37 2.12 0.18 -0.21 118.70 119.46 2ida s GLU 67 Ca 0.15 -1.09 -0.28 0.00 0.36 0.00 0.00 54.97 54.11 2ida s GLU 67 Cb -0.05 -1.80 -0.01 0.00 0.26 0.00 0.00 34.13 32.53 2ida s GLU 67 CO 0.06 0.46 1.64 0.20 -0.54 0.00 0.00 175.26 177.07 2ida s GLY 68 N -1.35 0.79 -0.19 -1.50 0.00 -1.23 -0.64 107.32 103.20 2ida s GLY 68 Ca 0.11 -0.17 -0.12 0.00 0.00 0.00 0.00 44.72 44.54 2ida s GLY 68 CO 0.03 3.07 0.15 2.98 0.00 0.00 0.00 173.10 179.33 2ida n TYR 69 N 10.18 0.87 -0.05 1.90 9.36 -0.83 -3.52 117.16 135.08 2ida n TYR 69 Ca 0.19 0.26 -0.10 0.00 3.32 0.00 0.00 57.90 61.57 2ida n TYR 69 Cb 0.48 -1.10 -0.03 0.00 -0.63 0.00 0.00 39.34 38.06 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 -0.43 0.25 -3.57 2.98 3.58 -1.89 -3.26 116.42 114.09 2ida h ASP 70 Ca -0.45 -0.05 -0.77 0.00 0.42 0.00 0.00 57.03 56.17 2ida h ASP 70 Cb 1.72 -0.06 -0.25 0.00 1.72 0.00 0.00 39.33 42.46 2ida h ASP 70 CO -0.10 0.23 0.12 -2.16 -2.88 0.00 0.00 179.24 174.45 2ida s PRO 71 N -6.01 3.50 -0.56 0.28 0.04 -1.26 -4.98 135.00 126.02 2ida s PRO 71 Ca -0.13 -2.26 -0.06 0.00 0.04 0.00 0.00 61.00 58.59 2ida s PRO 71 Cb 0.08 -4.45 -0.14 0.00 0.04 0.00 0.00 34.50 30.03 2ida s PRO 71 CO 0.70 -1.35 2.66 -0.35 0.04 0.00 0.00 177.00 178.70 2ida n PRO 72 N 4.45 2.07 -0.04 0.56 -0.04 -1.23 -4.46 135.00 136.32 2ida n PRO 72 Ca 0.10 -1.21 -0.09 0.00 -0.04 0.00 0.00 63.50 62.26 2ida n PRO 72 Cb 0.46 -2.21 0.07 0.00 -0.04 0.00 0.00 33.50 31.79 2ida n PRO 72 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2ida h GLU 73 N 4.70 0.66 0.00 0.54 5.08 -1.93 -3.48 114.58 120.16 2ida h GLU 73 Ca 0.38 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2ida h GLU 73 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2ida h GLU 73 CO 0.90 0.94 0.00 0.41 -1.00 0.00 0.00 179.01 180.26 2ida n GLY 74 N 0.00 0.82 3.08 -3.84 0.00 -1.26 -4.80 105.19 99.19 2ida n GLY 74 Ca -0.02 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.75 0.60 -0.10 1.61 1.48 -1.26 -0.62 118.94 118.89 2ida s TRP 75 Ca 0.00 -0.79 0.02 0.00 -1.06 0.00 0.00 56.10 54.27 2ida s TRP 75 Cb 0.00 -0.39 0.01 0.00 -1.16 0.00 0.00 33.47 31.94 2ida s TRP 75 CO 0.00 -0.21 -0.17 0.20 -4.06 0.00 0.00 176.95 172.71 2ida s GLY 76 N -2.35 1.08 -0.18 3.67 0.00 0.83 -3.53 107.32 106.83 2ida s GLY 76 Ca -0.00 -0.76 -0.07 0.00 0.00 0.00 0.00 44.72 43.88 2ida s GLY 76 CO -0.04 0.11 0.06 0.86 0.00 0.00 0.00 173.10 174.09 2ida s TRP 77 N 0.83 3.24 -0.40 1.90 -0.11 0.71 -0.77 118.94 124.34 2ida s TRP 77 Ca -0.09 0.05 -0.08 0.00 1.22 0.00 0.00 56.10 57.20 2ida s TRP 77 Cb -0.16 -2.08 0.07 0.00 -1.50 0.00 0.00 33.47 29.80 2ida s TRP 77 CO 0.01 0.13 0.22 0.00 -4.62 0.00 0.00 176.95 172.68 2ida h TYR 79 N 8.31 -0.26 0.00 0.00 0.05 -0.72 0.95 116.97 125.30 2ida h TYR 79 Ca -0.22 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.59 2ida h TYR 79 Cb 1.08 0.19 -0.00 0.00 1.01 0.00 0.00 36.73 39.00 2ida h TYR 79 CO 0.60 -0.20 -0.07 -0.39 -1.05 0.00 0.00 178.16 177.05 2ida h VAL 80 N -0.01 0.23 0.00 -2.88 -1.51 -1.95 -2.95 116.25 107.18 2ida h VAL 80 Ca 0.22 -0.56 -0.37 0.00 -1.23 0.00 0.00 66.70 64.76 2ida h VAL 80 Cb 0.34 1.45 -0.07 0.00 -2.13 0.00 0.00 31.29 30.88 2ida h VAL 80 CO -0.47 0.07 -2.33 0.47 -1.23 0.00 0.00 177.57 174.07 2ida n ASP 81 N -3.26 0.61 -0.73 4.19 9.92 -0.32 -4.98 116.55 121.97 2ida n ASP 81 Ca -0.01 0.01 -0.10 0.00 -0.53 0.00 0.00 54.79 54.17 2ida n ASP 81 Cb 0.28 0.51 -0.04 0.00 -0.64 0.00 0.00 41.12 41.23 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 -2.92 -0.77 -3.94 -1.24 1.02 0.31 -5.01 120.64 108.10 2ida n GLU 82 Ca -0.34 0.81 -0.37 0.00 -0.02 0.00 0.00 57.16 57.24 2ida n GLU 82 Cb 1.11 -4.74 -0.06 0.00 -0.02 0.00 0.00 31.44 27.72 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 -2.30 5.37 -0.33 2.62 -7.23 -1.23 -4.92 120.40 112.38 2ida s VAL 83 Ca 0.00 0.15 -0.04 0.00 -1.81 0.00 0.00 61.98 60.29 2ida s VAL 83 Cb 0.00 -3.33 0.05 0.00 0.56 0.00 0.00 36.38 33.66 2ida s VAL 83 CO 0.00 0.62 0.06 -0.32 -0.31 0.00 0.00 175.10 175.15 2ida s MET 84 N -1.02 2.46 0.57 4.82 1.75 -1.26 -1.66 119.30 124.96 2ida s MET 84 Ca 0.15 -1.29 0.06 0.00 -1.25 0.00 0.00 55.69 53.35 2ida s MET 84 Cb -0.12 -3.34 0.06 0.00 2.84 0.00 0.00 34.83 34.27 2ida s MET 84 CO 0.04 -0.69 0.46 -0.59 -0.65 0.00 0.00 175.02 173.59 2ida s PHE 85 N 1.30 1.43 -0.03 4.11 -0.71 0.05 -4.31 117.98 119.82 2ida s PHE 85 Ca -0.02 -0.88 -0.13 0.00 -1.04 0.00 0.00 56.93 54.86 2ida s PHE 85 Cb -0.20 -1.92 -0.05 0.00 -1.21 0.00 0.00 43.02 39.64 2ida s PHE 85 CO 0.00 -0.63 0.35 0.16 -1.34 0.00 0.00 175.22 173.77 2ida s ASP 86 N -4.36 6.72 -0.28 1.98 -4.77 -1.26 -0.12 116.67 114.58 2ida s ASP 86 Ca 0.35 0.86 0.20 0.00 -3.30 0.00 0.00 52.55 50.66 2ida s ASP 86 Cb -0.03 -2.21 0.50 0.00 -1.09 0.00 0.00 42.92 40.09 2ida s ASP 86 CO 0.22 0.34 1.09 0.18 0.70 0.00 0.00 175.17 177.71 2ida n LEU 87 N 1.88 1.92 -0.08 2.11 4.77 0.21 -4.72 117.00 123.08 2ida n LEU 87 Ca -0.15 -3.33 -0.01 0.00 -0.03 0.00 0.00 56.01 52.49 2ida n LEU 87 Cb 0.53 0.38 0.25 0.00 -2.33 0.00 0.00 43.42 42.24 2ida n LEU 87 CO 0.36 1.24 1.00 -1.28 -1.33 0.00 0.00 177.39 177.38 2ida h SER 88 N 2.63 0.66 0.00 -1.43 0.87 -1.83 0.13 113.55 114.59 2ida h SER 88 Ca -0.08 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 2ida h SER 88 Cb 1.27 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2ida h SER 88 CO 0.30 0.65 -1.01 0.47 -0.53 0.00 0.00 176.83 176.71 2ida n ASP 89 N -4.30 0.97 -0.58 6.23 8.00 -1.26 -4.09 116.55 121.51 2ida n ASP 89 Ca 0.03 -0.97 0.10 0.00 0.71 0.00 0.00 54.79 54.66 2ida n ASP 89 Cb 0.20 1.02 0.03 0.00 -0.02 0.00 0.00 41.12 42.36 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 -1.51 1.60 -1.58 -1.24 1.74 -0.95 -5.02 116.66 109.71 2ida n ARG 90 Ca 0.04 -1.22 -0.45 0.00 -0.77 0.00 0.00 57.85 55.45 2ida n ARG 90 Cb 0.33 -1.37 -0.02 0.00 -1.02 0.00 0.00 32.46 30.38 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 0.41 1.29 -2.18 5.56 0.00 0.42 -4.75 117.12 117.87 2ida n MET 91 Ca 0.09 0.45 -0.42 0.00 0.00 0.00 0.00 57.70 57.82 2ida n MET 91 Cb 0.44 -1.81 -0.03 0.00 0.00 0.00 0.00 33.22 31.82 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 -1.03 3.63 0.76 3.17 2.01 -1.26 -5.00 115.64 117.92 2ida s THR 92 Ca 0.59 1.02 -0.14 0.00 0.31 0.00 0.00 61.69 63.47 2ida s THR 92 Cb -0.71 -3.65 0.06 0.00 0.01 0.00 0.00 72.50 68.20 2ida s THR 92 CO 0.60 -0.00 1.17 -2.84 -0.69 0.00 0.00 174.62 172.85 2ida s PRO 93 N 2.46 1.99 -0.01 4.92 0.02 -1.26 -4.97 135.00 138.15 2ida s PRO 93 Ca 0.65 1.62 -0.28 0.00 0.02 0.00 0.00 61.00 63.01 2ida s PRO 93 Cb -0.32 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.33 2ida s PRO 93 CO 0.27 -1.92 0.91 -3.38 -0.33 0.00 0.00 177.00 172.55 2ida s HIS 94 N -2.25 3.65 -2.47 6.54 -3.43 -1.26 -4.88 115.29 111.19 2ida s HIS 94 Ca 0.71 1.60 0.24 0.00 -0.80 0.00 0.00 55.06 56.81 2ida s HIS 94 Cb -0.26 -3.04 0.75 0.00 -1.43 0.00 0.00 32.58 28.60 2ida s HIS 94 CO 0.48 0.03 1.56 0.27 -2.00 0.00 0.00 174.74 175.09 2ida n ASN 95 N 3.77 2.00 0.00 7.38 6.94 -1.26 -4.99 115.26 129.10 2ida n ASN 95 Ca 0.04 -1.71 0.00 0.00 -0.02 0.00 0.00 54.58 52.89 2ida n ASN 95 Cb 0.51 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.86 2ida n ASN 95 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2ida n GLY 96 N 1.22 -1.55 3.58 4.83 0.00 -1.26 -5.00 105.19 107.01 2ida n GLY 96 Ca 0.17 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 2ida n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ida s PRO 97 N -1.36 3.69 -0.20 1.61 0.05 -1.26 -5.03 135.00 132.50 2ida s PRO 97 Ca 0.00 0.20 -0.29 0.00 0.05 0.00 0.00 61.00 60.96 2ida s PRO 97 Cb 0.00 -3.83 0.00 0.00 0.05 0.00 0.00 34.50 30.72 2ida s PRO 97 CO 0.00 -0.87 1.11 0.42 0.05 0.00 0.00 177.00 177.71 2ida s ILE 98 N 3.05 4.56 -0.54 0.56 1.01 -1.26 -4.97 121.20 123.61 2ida s ILE 98 Ca 0.30 1.88 -0.27 0.00 0.00 0.00 0.00 60.65 62.55 2ida s ILE 98 Cb -0.13 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.11 2ida s ILE 98 CO 0.17 -0.15 1.73 -2.84 0.00 0.00 0.00 174.94 173.85 2ida s PRO 99 N 3.20 2.96 -0.58 2.79 0.02 -1.26 -4.96 135.00 137.17 2ida s PRO 99 Ca 0.48 0.73 -0.28 0.00 0.02 0.00 0.00 61.00 61.96 2ida s PRO 99 Cb -0.17 -4.28 0.03 0.00 0.02 0.00 0.00 34.50 30.10 2ida s PRO 99 CO 0.10 -2.34 1.15 0.50 -0.33 0.00 0.00 177.00 176.08 2ida s ARG 100 N 6.34 3.48 -0.09 5.54 6.06 -1.26 -4.87 118.95 134.15 2ida s ARG 100 Ca 0.66 0.17 -0.16 0.00 -2.50 0.00 0.00 55.73 53.89 2ida s ARG 100 Cb -0.14 -4.02 -0.28 0.00 0.06 0.00 0.00 34.95 30.57 2ida s ARG 100 CO 0.24 -1.65 0.62 1.88 -2.50 0.00 0.00 175.30 173.89 2ida h TYR 101 N 9.51 0.49 0.00 5.12 0.05 -1.92 -3.52 116.97 126.70 2ida h TYR 101 Ca -0.25 -0.36 0.00 0.00 0.05 0.00 0.00 58.73 58.17 2ida h TYR 101 Cb 1.06 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.78 2ida h TYR 101 CO 1.02 1.53 0.00 1.33 -1.05 0.00 0.00 178.16 180.99