#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 0.07 3.17 -2.24 0.13 -4.97 114.28 110.44 2ida n THR 2 Ca 0.00 -1.16 -0.21 0.00 -2.27 0.00 0.00 64.05 60.40 2ida n THR 2 Cb 0.00 -0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.08 2ida n THR 2 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 2ida h MET 3 N 0.00 0.35 0.00 -0.78 4.05 -1.96 -3.33 114.93 113.26 2ida h MET 3 Ca -0.20 -0.61 0.00 0.00 -0.28 0.00 0.00 59.70 58.62 2ida h MET 3 Cb 0.65 0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.67 2ida h MET 3 CO 0.32 1.25 0.00 0.41 0.23 0.00 0.00 176.91 179.12 2ida n GLY 4 N 1.80 0.11 3.80 1.39 0.00 -1.26 -4.78 105.19 106.26 2ida n GLY 4 Ca -0.22 -1.13 -0.04 0.00 0.00 0.00 0.00 46.02 44.63 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 2.00 0.00 0.00 0.00 0.11 -2.03 0.14 114.38 114.60 2ida h ARG 6 Ca -0.26 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.80 2ida h ARG 6 Cb 1.23 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.30 2ida h ARG 6 CO 0.30 0.00 -0.09 0.45 0.10 0.00 0.00 179.97 180.73 2ida h HIS 7 N 0.00 0.00 0.00 4.08 3.86 -2.01 -2.67 115.15 118.41 2ida h HIS 7 Ca 0.16 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 2ida h HIS 7 Cb 0.66 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.13 2ida h HIS 7 CO 0.00 0.09 -0.09 -0.24 0.86 0.00 0.00 177.93 178.55 2ida h VAL 8 N 0.00 0.89 0.00 2.45 3.04 -1.12 -0.87 116.25 120.65 2ida h VAL 8 Ca -0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 2ida h VAL 8 Cb 0.28 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 2ida h VAL 8 CO 0.01 0.09 0.00 0.00 -1.01 0.00 0.00 177.57 176.66 2ida n ALA 9 N -2.44 2.21 -0.00 3.17 0.00 -1.01 -2.49 120.51 119.95 2ida n ALA 9 Ca -0.03 -0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.31 2ida n ALA 9 Cb 0.17 -1.29 0.02 0.00 0.00 0.00 0.00 19.45 18.35 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 0.20 1.87 3.86 0.00 0.00 -0.33 -5.02 105.19 105.77 2ida n GLY 10 Ca 0.13 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.77 5.18 0.31 -0.61 -4.36 -1.04 -4.90 121.20 115.01 2ida s ILE 11 Ca 0.02 -0.26 0.03 0.00 -0.26 0.00 0.00 60.65 60.18 2ida s ILE 11 Cb 0.01 -3.41 -0.05 0.00 1.25 0.00 0.00 42.46 40.27 2ida s ILE 11 CO 0.02 0.32 0.11 0.00 0.24 0.00 0.00 174.94 175.63 2ida s ARG 12 N -1.90 1.60 -0.75 0.37 1.70 -1.11 -5.07 118.95 113.80 2ida s ARG 12 Ca 0.26 -1.91 -0.27 0.00 -0.47 0.00 0.00 55.73 53.35 2ida s ARG 12 Cb -0.12 -0.42 0.03 0.00 -0.57 0.00 0.00 34.95 33.87 2ida s ARG 12 CO 0.17 -0.34 1.27 0.99 -1.08 0.00 0.00 175.30 176.32 2ida s THR 13 N -3.52 3.75 0.36 4.99 2.01 -1.26 -4.74 115.64 117.23 2ida s THR 13 Ca 0.35 0.33 -0.04 0.00 0.31 0.00 0.00 61.69 62.64 2ida s THR 13 Cb 0.06 -4.91 -0.04 0.00 0.01 0.00 0.00 72.50 67.61 2ida s THR 13 CO 0.15 -1.85 0.62 0.68 -0.69 0.00 0.00 174.62 173.54 2ida s VAL 14 N 5.64 5.00 -0.16 3.82 -7.23 -1.26 -5.05 120.40 121.15 2ida s VAL 14 Ca 0.35 0.00 -0.26 0.00 -1.81 0.00 0.00 61.98 60.26 2ida s VAL 14 Cb -0.08 -3.80 -0.01 0.00 0.56 0.00 0.00 36.38 33.05 2ida s VAL 14 CO 0.14 -0.52 0.88 -0.89 -0.31 0.00 0.00 175.10 174.40 2ida s THR 15 N -2.32 4.85 -0.00 5.32 2.01 -1.26 -4.89 115.64 119.34 2ida s THR 15 Ca 0.44 1.75 -0.30 0.00 0.31 0.00 0.00 61.69 63.89 2ida s THR 15 Cb -0.10 -4.19 -0.08 0.00 0.01 0.00 0.00 72.50 68.14 2ida s THR 15 CO 0.35 0.01 1.91 -2.84 -0.69 0.00 0.00 174.62 173.37 2ida s PRO 16 N 2.17 4.07 0.25 4.92 0.02 -1.26 -4.40 135.00 140.78 2ida s PRO 16 Ca 0.41 2.47 0.12 0.00 0.02 0.00 0.00 61.00 64.01 2ida s PRO 16 Cb -0.17 -4.14 0.21 0.00 0.02 0.00 0.00 34.50 30.42 2ida s PRO 16 CO 0.13 -1.02 1.51 1.03 -0.33 0.00 0.00 177.00 178.32 2ida h SER 17 N 10.69 0.00 -5.28 2.53 0.87 -1.38 -3.46 113.55 117.52 2ida h SER 17 Ca -0.47 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 59.97 2ida h SER 17 Cb 1.22 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.04 2ida h SER 17 CO 0.95 0.66 -0.54 0.00 -0.53 0.00 0.00 176.83 177.37 2ida s ALA 18 N -3.24 0.36 0.16 6.23 0.00 -1.26 -5.00 121.76 119.01 2ida s ALA 18 Ca 0.00 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 50.82 2ida s ALA 18 Cb 0.11 0.59 0.01 0.00 0.00 0.00 0.00 23.12 23.83 2ida s ALA 18 CO 0.76 -0.48 1.42 -0.07 0.00 0.00 0.00 175.76 177.39 2ida h LEU 19 N 2.87 0.66 0.00 0.00 3.38 -1.96 -3.44 115.31 116.82 2ida h LEU 19 Ca -0.34 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.22 2ida h LEU 19 Cb 1.19 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2ida h LEU 19 CO 0.59 1.16 0.00 0.61 0.09 0.00 0.00 178.44 180.88 2ida n GLY 20 N 0.51 4.10 3.49 0.83 0.00 -1.26 -4.86 105.19 108.00 2ida n GLY 20 Ca -0.05 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 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 9.26 1.13 -0.21 0.00 9.09 -1.96 -2.24 114.58 129.65 2ida h GLU 22 Ca -0.27 -0.09 -0.05 0.00 0.05 0.00 0.00 59.36 59.00 2ida h GLU 22 Cb 1.08 -0.25 -0.01 0.00 -1.65 0.00 0.00 28.75 27.93 2ida h GLU 22 CO 1.07 0.78 -0.07 1.49 0.05 0.00 0.00 179.01 182.32 2ida h GLU 23 N 1.16 0.41 -0.45 1.06 4.81 -1.95 -2.90 114.58 116.72 2ida h GLU 23 Ca 0.31 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.41 2ida h GLU 23 Cb -0.08 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2ida h GLU 23 CO -0.06 0.68 0.30 0.00 -0.73 0.00 0.00 179.01 179.19 2ida h LEU 25 N 0.45 0.00 -0.32 0.00 3.38 -1.20 0.30 115.31 117.92 2ida h LEU 25 Ca 0.19 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 2ida h LEU 25 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2ida h LEU 25 CO -0.05 0.00 -0.21 0.07 0.09 0.00 0.00 178.44 178.34 2ida h LYS 26 N 0.00 0.00 0.00 1.13 2.10 -1.17 -3.29 116.57 115.34 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 0.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 2ida h LYS 26 CO 0.00 0.21 0.00 0.44 -2.00 0.00 0.00 179.45 178.10 2ida n ILE 27 N -3.19 0.09 -2.71 0.07 -5.35 -1.00 -5.01 119.36 102.26 2ida n ILE 27 Ca 0.02 -0.46 -0.08 0.00 -0.27 0.00 0.00 62.75 61.96 2ida n ILE 27 Cb 0.57 1.10 0.02 0.00 -1.74 0.00 0.00 39.64 39.59 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 -0.04 0.37 3.72 3.28 0.00 -0.08 -5.01 105.19 107.41 2ida n GLY 28 Ca 0.00 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.02 6.87 0.25 1.61 0.15 0.86 -5.00 113.70 115.42 2ida s SER 29 Ca 0.16 1.05 -0.30 0.00 0.70 0.00 0.00 55.95 57.56 2ida s SER 29 Cb -0.07 -2.37 -0.09 0.00 -1.71 0.00 0.00 66.02 61.78 2ida s SER 29 CO 0.19 -0.08 1.04 -2.16 1.20 0.00 0.00 173.24 173.44 2ida s PRO 30 N 0.79 4.71 0.48 5.44 0.04 -1.26 -4.56 135.00 140.64 2ida s PRO 30 Ca 0.33 1.68 0.07 0.00 0.04 0.00 0.00 61.00 63.13 2ida s PRO 30 Cb -0.17 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.15 2ida s PRO 30 CO 0.15 0.30 0.41 1.67 0.04 0.00 0.00 177.00 179.57 2ida s TRP 31 N -1.03 2.13 -0.12 0.56 -2.14 -1.26 -4.90 118.94 112.16 2ida s TRP 31 Ca 0.44 -0.67 -0.13 0.00 2.66 0.00 0.00 56.10 58.40 2ida s TRP 31 Cb -0.30 -2.05 -0.05 0.00 -3.10 0.00 0.00 33.47 27.97 2ida s TRP 31 CO 0.37 -0.35 -0.27 0.28 -2.66 0.00 0.00 176.95 174.33 2ida n VAL 32 N -1.68 1.41 -4.18 -0.66 0.31 -1.26 -4.52 118.33 107.75 2ida n VAL 32 Ca 0.02 0.15 -0.12 0.00 -0.01 0.00 0.00 64.34 64.38 2ida n VAL 32 Cb 0.63 -2.14 -0.10 0.00 -0.91 0.00 0.00 33.84 31.32 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 -2.67 0.98 0.06 3.52 0.09 -1.26 -4.68 115.29 111.33 2ida s HIS 33 Ca -0.23 -0.78 0.06 0.00 -0.00 0.00 0.00 55.06 54.11 2ida s HIS 33 Cb 0.04 -0.54 -0.03 0.00 -0.00 0.00 0.00 32.58 32.05 2ida s HIS 33 CO 0.33 -0.06 -0.17 -0.51 -0.00 0.00 0.00 174.74 174.33 2ida s LEU 34 N -2.77 2.21 -0.02 0.89 1.43 -1.26 -0.78 118.68 118.37 2ida s LEU 34 Ca 0.09 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 2ida s LEU 34 Cb 0.01 -0.72 0.01 0.00 0.03 0.00 0.00 46.19 45.52 2ida s LEU 34 CO -0.02 0.05 -0.04 0.00 0.23 0.00 0.00 176.35 176.56 2ida s ARG 35 N -1.38 0.59 -0.25 1.70 1.04 0.67 -2.02 118.95 119.29 2ida s ARG 35 Ca 0.03 -0.12 -0.13 0.00 -1.04 0.00 0.00 55.73 54.47 2ida s ARG 35 Cb -0.09 -0.61 -0.04 0.00 -2.04 0.00 0.00 34.95 32.17 2ida s ARG 35 CO 0.02 0.01 0.28 -1.50 -0.04 0.00 0.00 175.30 174.06 2ida s ILE 36 N 0.45 5.26 -0.45 4.99 2.07 0.89 -0.68 121.20 133.73 2ida s ILE 36 Ca -0.05 0.40 -0.29 0.00 -1.41 0.00 0.00 60.65 59.30 2ida s ILE 36 Cb -0.09 -3.61 0.01 0.00 0.13 0.00 0.00 42.46 38.90 2ida s ILE 36 CO -0.00 0.24 1.36 0.00 -1.91 0.00 0.00 174.94 174.64 2ida n ARG 38 N 8.14 0.50 -0.10 0.00 5.12 -1.13 -0.51 116.66 128.69 2ida n ARG 38 Ca 0.15 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.95 2ida n ARG 38 Cb 0.48 -1.18 -0.13 0.00 -1.16 0.00 0.00 32.46 30.47 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 -0.68 1.28 0.00 0.55 -1.04 -1.26 -2.76 114.28 110.37 2ida n THR 39 Ca 0.04 -0.67 0.00 0.00 -2.04 0.00 0.00 64.05 61.38 2ida n THR 39 Cb 0.02 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 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 1.02 0.83 3.70 0.00 0.00 0.34 -4.70 105.19 106.37 2ida n GLY 41 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.05 3.49 -0.07 1.61 5.65 -1.25 -0.90 115.29 121.76 2ida s HIS 42 Ca 0.00 1.08 -0.13 0.00 0.25 0.00 0.00 55.06 56.26 2ida s HIS 42 Cb 0.00 -2.77 -0.05 0.00 -1.18 0.00 0.00 32.58 28.58 2ida s HIS 42 CO 0.00 -0.00 0.33 0.08 -0.65 0.00 0.00 174.74 174.50 2ida s VAL 43 N 1.20 5.20 0.09 0.89 1.01 -1.26 -1.20 120.40 126.34 2ida s VAL 43 Ca 0.33 0.65 -0.04 0.00 0.00 0.00 0.00 61.98 62.92 2ida s VAL 43 Cb -0.17 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2ida s VAL 43 CO 0.14 0.51 0.08 -0.83 0.00 0.00 0.00 175.10 175.00 2ida s GLY 44 N -0.51 0.52 0.37 4.51 0.00 0.15 -4.60 107.32 107.76 2ida s GLY 44 Ca 0.20 -1.10 -0.25 0.00 0.00 0.00 0.00 44.72 43.57 2ida s GLY 44 CO 0.09 -1.15 1.03 0.00 0.00 0.00 0.00 173.10 173.07 2ida h ASP 47 N -2.27 0.32 -0.46 0.00 3.58 -1.91 -1.57 116.42 114.12 2ida h ASP 47 Ca -0.37 -0.04 0.09 0.00 0.42 0.00 0.00 57.03 57.13 2ida h ASP 47 Cb 1.11 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 42.05 2ida h ASP 47 CO 0.25 0.35 0.31 -2.24 -2.88 0.00 0.00 179.24 175.03 2ida h ASP 48 N 0.36 0.21 -3.40 2.28 3.04 -1.93 -3.42 116.42 113.55 2ida h ASP 48 Ca 0.09 0.00 -0.55 0.00 -3.24 0.00 0.00 57.03 53.33 2ida h ASP 48 Cb 0.17 -0.04 -0.04 0.00 -1.04 0.00 0.00 39.33 38.38 2ida h ASP 48 CO -0.00 0.13 0.10 -0.44 -2.04 0.00 0.00 179.24 176.99 2ida s SER 49 N -6.42 7.19 0.58 4.15 0.01 -0.59 -4.84 113.70 113.78 2ida s SER 49 Ca -0.06 1.41 0.28 0.00 1.31 0.00 0.00 55.95 58.89 2ida s SER 49 Cb 0.19 -2.44 1.62 0.00 0.21 0.00 0.00 66.02 65.60 2ida s SER 49 CO 0.73 0.11 2.08 1.55 0.41 0.00 0.00 173.24 178.12 2ida h PRO 50 N 5.20 0.00 0.00 12.44 0.13 -1.84 0.91 132.00 148.85 2ida h PRO 50 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2ida h PRO 50 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ida h PRO 50 CO 0.68 0.00 -0.01 0.72 -0.23 0.00 0.00 178.00 179.17 2ida n HIS 51 N -3.85 0.79 -4.08 1.56 8.25 -1.26 -4.94 115.22 111.69 2ida n HIS 51 Ca 0.02 0.23 -0.34 0.00 -0.26 0.00 0.00 57.72 57.37 2ida n HIS 51 Cb 0.36 -0.87 -0.04 0.00 1.12 0.00 0.00 29.99 30.55 2ida n HIS 51 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2ida n LYS 52 N -2.15 -0.64 0.15 -0.41 5.02 0.31 -4.82 118.16 115.63 2ida n LYS 52 Ca 0.06 0.03 0.13 0.00 -2.02 0.00 0.00 58.31 56.51 2ida n LYS 52 Cb 0.42 -2.62 0.42 0.00 -0.02 0.00 0.00 35.03 33.23 2ida n LYS 52 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2ida h HIS 53 N -1.71 0.00 -0.11 2.13 3.86 -1.64 -2.93 115.15 114.76 2ida h HIS 53 Ca -0.61 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 58.57 2ida h HIS 53 Cb 1.24 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.70 2ida h HIS 53 CO 0.40 0.00 -0.08 0.00 0.86 0.00 0.00 177.93 179.11 2ida h ALA 54 N 2.32 0.15 0.00 2.45 0.00 -1.06 -2.81 119.26 120.32 2ida h ALA 54 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2ida h ALA 54 Cb 0.65 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2ida h ALA 54 CO 0.00 -0.03 -0.02 1.79 0.00 0.00 0.00 179.25 180.99 2ida h THR 55 N -0.14 1.64 -0.59 0.00 1.35 -1.83 -3.17 112.91 110.16 2ida h THR 55 Ca 0.02 -1.90 -0.03 0.00 -0.55 0.00 0.00 66.41 63.95 2ida h THR 55 Cb 0.57 2.92 -0.03 0.00 -1.73 0.00 0.00 68.15 69.88 2ida h THR 55 CO 0.02 0.49 0.25 0.03 -0.25 0.00 0.00 175.52 176.06 2ida h ARG 56 N -0.78 0.86 -0.64 4.72 3.08 -1.66 -1.97 114.38 117.98 2ida h ARG 56 Ca -0.00 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 2ida h ARG 56 Cb 0.82 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 2ida h ARG 56 CO 0.00 0.69 0.22 1.25 -1.07 0.00 0.00 179.97 181.06 2ida h HIS 57 N 0.85 0.98 -0.44 3.04 2.76 -1.59 -0.93 115.15 119.82 2ida h HIS 57 Ca 0.20 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.28 2ida h HIS 57 Cb 0.15 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 2ida h HIS 57 CO 0.01 0.78 0.21 0.35 -1.30 0.00 0.00 177.93 177.98 2ida h PHE 58 N 0.94 0.64 0.00 5.26 3.57 -1.33 0.36 116.94 126.38 2ida h PHE 58 Ca 0.21 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 2ida h PHE 58 Cb 0.24 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 2ida h PHE 58 CO 0.02 0.52 -0.40 1.25 -2.23 0.00 0.00 178.31 177.47 2ida h HIS 59 N 0.57 0.00 0.14 0.41 2.76 -1.21 0.32 115.15 118.14 2ida h HIS 59 Ca 0.15 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 58.10 2ida h HIS 59 Cb 0.13 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.11 2ida h HIS 59 CO -0.01 0.40 -0.94 0.00 -1.30 0.00 0.00 177.93 176.09 2ida h ALA 60 N 1.60 -0.08 0.00 5.26 0.00 -0.69 -3.40 119.26 121.95 2ida h ALA 60 Ca -0.00 -0.71 -0.32 0.00 0.00 0.00 0.00 54.91 53.88 2ida h ALA 60 Cb 0.85 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 2ida h ALA 60 CO 0.05 0.45 -2.20 0.25 0.00 0.00 0.00 179.25 177.81 2ida n THR 61 N -4.04 1.20 -1.17 0.00 -2.24 0.07 -5.03 114.28 103.08 2ida n THR 61 Ca -0.14 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 2ida n THR 61 Cb 0.87 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 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 2.33 0.74 3.09 3.38 0.00 0.11 -5.07 105.19 109.78 2ida n GLY 62 Ca -0.35 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.29 3.61 -2.17 1.61 3.76 -1.24 -4.98 115.29 113.58 2ida s HIS 63 Ca 0.00 -2.60 0.28 0.00 -0.15 0.00 0.00 55.06 52.59 2ida s HIS 63 Cb 0.00 -3.14 1.46 0.00 1.11 0.00 0.00 32.58 32.01 2ida s HIS 63 CO 0.00 -0.95 1.97 -0.35 -0.85 0.00 0.00 174.74 174.56 2ida n PRO 64 N 4.39 1.26 -4.81 8.40 -0.04 -1.26 -4.67 135.00 138.26 2ida n PRO 64 Ca 0.00 -0.38 -0.27 0.00 -0.04 0.00 0.00 63.50 62.81 2ida n PRO 64 Cb 0.41 -1.46 -0.17 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.98 1.46 0.11 0.52 1.01 -1.26 -0.30 121.20 120.76 2ida s ILE 65 Ca 0.41 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.43 2ida s ILE 65 Cb 0.20 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 2ida s ILE 65 CO 0.33 0.43 -0.12 0.27 0.00 0.00 0.00 174.94 175.85 2ida s ILE 66 N 0.50 1.10 0.01 2.92 -4.36 -0.32 -2.82 121.20 118.22 2ida s ILE 66 Ca -0.15 -1.69 0.07 0.00 -0.26 0.00 0.00 60.65 58.62 2ida s ILE 66 Cb -0.16 -1.44 -0.03 0.00 1.25 0.00 0.00 42.46 42.08 2ida s ILE 66 CO 0.05 -0.51 -0.20 -0.70 0.24 0.00 0.00 174.94 173.82 2ida s GLU 67 N -2.78 2.13 -0.52 0.37 2.12 0.91 0.19 118.70 121.12 2ida s GLU 67 Ca 0.07 -0.93 -0.27 0.00 0.36 0.00 0.00 54.97 54.21 2ida s GLU 67 Cb -0.03 -2.16 -0.03 0.00 0.26 0.00 0.00 34.13 32.17 2ida s GLU 67 CO 0.01 0.56 1.92 0.20 -0.54 0.00 0.00 175.26 177.42 2ida s GLY 68 N -1.06 0.25 -0.02 -1.50 0.00 0.47 -0.08 107.32 105.39 2ida s GLY 68 Ca 0.12 -0.33 0.10 0.00 0.00 0.00 0.00 44.72 44.61 2ida s GLY 68 CO 0.02 3.49 0.76 -1.82 0.00 0.00 0.00 173.10 175.55 2ida h TYR 69 N 15.11 0.05 0.02 1.90 3.20 -1.73 -3.38 116.97 132.13 2ida h TYR 69 Ca -0.28 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.56 2ida h TYR 69 Cb 1.18 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.45 2ida h TYR 69 CO 1.01 1.06 -0.01 0.22 -1.64 0.00 0.00 178.16 178.81 2ida h ASP 70 N 0.01 -0.02 -2.66 -2.11 3.58 -1.80 -3.45 116.42 109.97 2ida h ASP 70 Ca -0.24 -0.49 -0.55 0.00 0.42 0.00 0.00 57.03 56.17 2ida h ASP 70 Cb 1.97 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 43.02 2ida h ASP 70 CO 0.09 0.71 1.06 -2.16 -2.88 0.00 0.00 179.24 176.06 2ida s PRO 71 N -2.03 4.17 0.00 0.28 0.04 -1.26 -4.87 135.00 131.33 2ida s PRO 71 Ca -0.10 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2ida s PRO 71 Cb -0.01 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.58 2ida s PRO 71 CO 0.36 -0.84 1.08 -0.35 0.04 0.00 0.00 177.00 177.29 2ida n PRO 72 N 7.06 0.63 -0.11 0.56 -0.04 -1.26 -3.41 135.00 138.44 2ida n PRO 72 Ca 0.17 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.46 2ida n PRO 72 Cb 0.43 -1.18 -0.13 0.00 -0.04 0.00 0.00 33.50 32.58 2ida n PRO 72 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2ida n GLU 73 N 1.38 0.67 -1.75 0.54 1.02 -1.26 -5.07 120.64 116.17 2ida n GLU 73 Ca 0.00 0.13 -0.01 0.00 -0.02 0.00 0.00 57.16 57.26 2ida n GLU 73 Cb 0.32 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 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 2.11 -0.65 3.10 0.62 0.00 -1.22 -4.64 105.19 104.50 2ida n GLY 74 Ca -0.41 0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.06 0.57 -0.00 1.61 1.48 -1.26 -0.29 118.94 118.99 2ida s TRP 75 Ca 0.02 -1.03 0.08 0.00 -1.06 0.00 0.00 56.10 54.11 2ida s TRP 75 Cb -0.01 -0.40 -0.02 0.00 -1.16 0.00 0.00 33.47 31.88 2ida s TRP 75 CO 0.13 -0.34 -0.25 0.20 -4.06 0.00 0.00 176.95 172.63 2ida s GLY 76 N -2.90 1.26 -0.10 3.67 0.00 0.26 -0.39 107.32 109.12 2ida s GLY 76 Ca 0.07 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.68 2ida s GLY 76 CO -0.09 -0.96 -0.11 0.86 0.00 0.00 0.00 173.10 172.80 2ida s TRP 77 N -0.64 2.82 -0.30 1.90 -0.11 0.13 -1.19 118.94 121.55 2ida s TRP 77 Ca 0.10 -0.32 -0.04 0.00 1.22 0.00 0.00 56.10 57.06 2ida s TRP 77 Cb -0.10 -1.76 0.04 0.00 -1.50 0.00 0.00 33.47 30.14 2ida s TRP 77 CO -0.00 0.04 0.03 0.00 -4.62 0.00 0.00 176.95 172.40 2ida h TYR 79 N 8.10 -1.04 0.00 0.00 0.05 -0.99 0.64 116.97 123.73 2ida h TYR 79 Ca -0.26 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.53 2ida h TYR 79 Cb 1.09 0.43 -0.00 0.00 1.01 0.00 0.00 36.73 39.25 2ida h TYR 79 CO 0.60 -0.44 -0.06 -0.39 -1.05 0.00 0.00 178.16 176.82 2ida h VAL 80 N -0.61 0.20 0.15 -2.88 -1.51 -1.96 -2.59 116.25 107.05 2ida h VAL 80 Ca -0.02 -0.53 -0.33 0.00 -1.23 0.00 0.00 66.70 64.59 2ida h VAL 80 Cb 0.57 1.43 -0.00 0.00 -2.13 0.00 0.00 31.29 31.16 2ida h VAL 80 CO -0.14 0.06 -1.67 0.44 -1.23 0.00 0.00 177.57 175.04 2ida h ASP 81 N 0.00 0.49 -0.94 4.19 5.19 -1.80 -3.47 116.42 120.08 2ida h ASP 81 Ca -0.00 -0.73 -0.29 0.00 -0.62 0.00 0.00 57.03 55.39 2ida h ASP 81 Cb 0.43 -0.16 -0.09 0.00 0.18 0.00 0.00 39.33 39.68 2ida h ASP 81 CO 0.01 1.62 -0.28 -0.62 -3.12 0.00 0.00 179.24 176.85 2ida n GLU 82 N -3.51 -1.00 -4.26 3.56 1.02 0.22 -5.00 120.64 111.66 2ida n GLU 82 Ca -0.21 0.93 -0.35 0.00 -0.02 0.00 0.00 57.16 57.51 2ida n GLU 82 Cb 1.06 -5.06 -0.09 0.00 -0.02 0.00 0.00 31.44 27.33 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 -2.56 4.50 -0.17 2.62 -7.23 -1.24 -4.96 120.40 111.37 2ida s VAL 83 Ca 0.00 -0.17 -0.05 0.00 -1.81 0.00 0.00 61.98 59.95 2ida s VAL 83 Cb 0.00 -2.93 -0.03 0.00 0.56 0.00 0.00 36.38 33.98 2ida s VAL 83 CO 0.00 0.58 -0.01 -0.32 -0.31 0.00 0.00 175.10 175.04 2ida s MET 84 N -0.64 3.76 0.09 4.82 1.75 -1.26 -2.44 119.30 125.38 2ida s MET 84 Ca 0.11 -0.47 0.06 0.00 -1.25 0.00 0.00 55.69 54.13 2ida s MET 84 Cb -0.12 -3.01 -0.03 0.00 2.84 0.00 0.00 34.83 34.51 2ida s MET 84 CO 0.02 0.24 -0.15 -0.59 -0.65 0.00 0.00 175.02 173.89 2ida s PHE 85 N 0.40 1.33 0.28 4.11 -0.71 -0.33 0.19 117.98 123.23 2ida s PHE 85 Ca -0.02 -0.48 -0.25 0.00 -1.04 0.00 0.00 56.93 55.15 2ida s PHE 85 Cb -0.14 -0.73 -0.09 0.00 -1.21 0.00 0.00 43.02 40.85 2ida s PHE 85 CO 0.02 0.09 0.87 0.16 -1.34 0.00 0.00 175.22 175.03 2ida s ASP 86 N -1.92 7.31 -0.11 1.98 -4.77 -1.25 0.91 116.67 118.81 2ida s ASP 86 Ca 0.02 1.73 0.14 0.00 -3.30 0.00 0.00 52.55 51.13 2ida s ASP 86 Cb -0.09 -2.54 0.29 0.00 -1.09 0.00 0.00 42.92 39.49 2ida s ASP 86 CO 0.03 0.01 1.14 0.18 0.70 0.00 0.00 175.17 177.23 2ida n LEU 87 N 0.79 1.82 -0.07 2.11 4.77 0.60 -4.76 117.00 122.26 2ida n LEU 87 Ca -0.00 -2.77 0.21 0.00 -0.03 0.00 0.00 56.01 53.41 2ida n LEU 87 Cb 0.50 -0.32 0.65 0.00 -2.33 0.00 0.00 43.42 41.92 2ida n LEU 87 CO 0.45 0.79 1.20 0.28 -1.33 0.00 0.00 177.39 178.78 2ida h SER 88 N 0.40 0.09 1.77 -1.43 0.02 -1.72 0.67 113.55 113.35 2ida h SER 88 Ca -0.03 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2ida h SER 88 Cb 1.19 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 2ida h SER 88 CO 0.01 0.05 -0.23 -2.24 -1.14 0.00 0.00 176.83 173.28 2ida h ASP 89 N 0.10 0.00 -0.06 3.07 2.03 -1.90 -3.27 116.42 116.40 2ida h ASP 89 Ca 0.31 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.61 2ida h ASP 89 Cb 1.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 2ida h ASP 89 CO -0.03 0.08 0.00 0.54 -1.03 0.00 0.00 179.24 178.80 2ida n ARG 90 N -3.06 2.69 -2.02 4.15 1.74 0.55 -5.07 116.66 115.64 2ida n ARG 90 Ca 0.03 -1.80 -0.39 0.00 -0.77 0.00 0.00 57.85 54.91 2ida n ARG 90 Cb 0.57 -1.15 -0.00 0.00 -1.02 0.00 0.00 32.46 30.86 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 -1.38 3.93 -0.23 5.56 0.23 0.20 -4.84 119.30 122.77 2ida s MET 91 Ca 0.10 2.19 -0.25 0.00 -1.03 0.00 0.00 55.69 56.69 2ida s MET 91 Cb 0.07 -2.74 -0.00 0.00 -1.53 0.00 0.00 34.83 30.63 2ida s MET 91 CO 0.03 -0.53 0.85 0.99 -2.03 0.00 0.00 175.02 174.32 2ida s THR 92 N -1.26 4.83 0.26 3.16 2.01 -1.26 -5.03 115.64 118.35 2ida s THR 92 Ca 0.57 1.62 -0.30 0.00 0.31 0.00 0.00 61.69 63.89 2ida s THR 92 Cb -0.39 -4.14 -0.10 0.00 0.01 0.00 0.00 72.50 67.88 2ida s THR 92 CO 0.50 -0.07 1.49 -2.16 -0.69 0.00 0.00 174.62 173.69 2ida s PRO 93 N 2.80 4.22 -0.03 4.92 0.04 -1.26 -4.95 135.00 140.74 2ida s PRO 93 Ca 0.36 2.38 -0.30 0.00 0.04 0.00 0.00 61.00 63.48 2ida s PRO 93 Cb -0.15 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 2ida s PRO 93 CO 0.08 -0.49 1.31 -3.38 0.04 0.00 0.00 177.00 174.56 2ida s HIS 94 N 0.06 2.99 -1.51 0.56 -3.43 -1.26 -4.89 115.29 107.82 2ida s HIS 94 Ca 0.61 0.99 0.06 0.00 -0.80 0.00 0.00 55.06 55.92 2ida s HIS 94 Cb -0.44 -3.56 0.24 0.00 -1.43 0.00 0.00 32.58 27.40 2ida s HIS 94 CO 0.44 -1.96 1.08 0.27 -2.00 0.00 0.00 174.74 172.57 2ida n ASN 95 N 5.32 1.82 -3.72 7.38 6.94 -1.26 -4.86 115.26 126.89 2ida n ASN 95 Ca 0.12 -2.12 -0.05 0.00 -0.02 0.00 0.00 54.58 52.51 2ida n ASN 95 Cb 0.45 -0.32 -0.02 0.00 -2.36 0.00 0.00 39.78 37.53 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 -0.71 -0.26 -0.93 4.83 0.00 -1.26 -5.04 107.32 103.95 2ida s GLY 96 Ca 0.17 0.23 -0.24 0.00 0.00 0.00 0.00 44.72 44.87 2ida s GLY 96 CO 0.09 0.05 1.42 -4.14 0.00 0.00 0.00 173.10 170.52 2ida s PRO 97 N -3.33 3.42 -0.22 2.90 0.02 -1.26 -4.98 135.00 131.55 2ida s PRO 97 Ca 0.11 -0.80 -0.29 0.00 0.02 0.00 0.00 61.00 60.03 2ida s PRO 97 Cb -0.02 -4.98 -0.01 0.00 0.02 0.00 0.00 34.50 29.51 2ida s PRO 97 CO 0.01 -2.24 1.26 0.42 -0.33 0.00 0.00 177.00 176.12 2ida s ILE 98 N 5.43 4.26 -0.48 2.83 1.01 -1.26 -4.96 121.20 128.03 2ida s ILE 98 Ca 0.44 1.49 -0.27 0.00 0.00 0.00 0.00 60.65 62.30 2ida s ILE 98 Cb -0.03 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 2ida s ILE 98 CO -0.02 -0.27 1.79 -2.84 0.00 0.00 0.00 174.94 173.60 2ida s PRO 99 N 3.73 3.00 -0.27 2.79 0.02 -1.26 -4.97 135.00 138.04 2ida s PRO 99 Ca 0.54 0.96 -0.29 0.00 0.02 0.00 0.00 61.00 62.24 2ida s PRO 99 Cb -0.19 -4.27 0.01 0.00 0.02 0.00 0.00 34.50 30.07 2ida s PRO 99 CO 0.17 -2.27 1.03 0.50 -0.33 0.00 0.00 177.00 176.11 2ida s ARG 100 N 6.28 4.16 -0.07 5.54 6.06 -1.26 -4.92 118.95 134.74 2ida s ARG 100 Ca 0.71 1.18 0.14 0.00 -2.50 0.00 0.00 55.73 55.27 2ida s ARG 100 Cb -0.16 -3.69 -0.23 0.00 0.06 0.00 0.00 34.95 30.93 2ida s ARG 100 CO 0.27 -0.74 0.54 0.66 -2.50 0.00 0.00 175.30 173.53 2ida n TYR 101 N 6.54 0.78 1.16 5.12 4.01 -1.26 -5.17 117.16 128.33 2ida n TYR 101 Ca 0.11 0.28 0.13 0.00 -0.16 0.00 0.00 57.90 58.26 2ida n TYR 101 Cb 0.47 -1.14 0.23 0.00 -0.31 0.00 0.00 39.34 38.59 2ida n TYR 101 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73