#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 0.16 3.17 5.66 0.35 -4.97 114.28 118.65 2ida n THR 2 Ca 0.00 -1.96 0.09 0.00 -3.05 0.00 0.00 64.05 59.13 2ida n THR 2 Cb 0.00 0.86 0.08 0.00 -1.55 0.00 0.00 70.33 69.72 2ida n THR 2 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 2ida h MET 3 N 0.00 0.00 0.00 1.09 0.00 -1.93 -2.56 114.93 111.53 2ida h MET 3 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.48 2ida h MET 3 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.58 2ida h MET 3 CO 0.34 0.10 0.00 0.41 0.00 0.00 0.00 176.91 177.76 2ida n GLY 4 N 1.16 0.71 3.46 8.32 0.00 -1.26 -4.59 105.19 113.00 2ida n GLY 4 Ca 0.02 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.07 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 2.38 0.00 -0.09 0.00 0.11 -2.04 0.16 114.38 114.91 2ida h ARG 6 Ca -0.29 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.82 2ida h ARG 6 Cb 1.25 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.32 2ida h ARG 6 CO 0.41 0.01 0.10 0.45 0.10 0.00 0.00 179.97 181.05 2ida h HIS 7 N 0.00 0.00 0.00 4.08 3.86 -2.02 -2.33 115.15 118.74 2ida h HIS 7 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2ida h HIS 7 Cb 0.03 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.49 2ida h HIS 7 CO 0.00 0.00 -0.03 -0.24 0.86 0.00 0.00 177.93 178.52 2ida h VAL 8 N 0.00 0.75 0.00 2.45 3.04 -1.08 -0.34 116.25 121.07 2ida h VAL 8 Ca 0.04 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 2ida h VAL 8 Cb 0.25 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 2ida h VAL 8 CO -0.00 0.03 0.00 0.00 -1.01 0.00 0.00 177.57 176.59 2ida n ALA 9 N -2.41 1.87 0.80 3.17 0.00 -0.88 -2.33 120.51 120.73 2ida n ALA 9 Ca -0.03 -0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.43 2ida n ALA 9 Cb 0.12 -1.26 0.06 0.00 0.00 0.00 0.00 19.45 18.36 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 0.09 0.38 3.90 0.00 0.00 -0.14 -4.96 105.19 104.47 2ida n GLY 10 Ca 0.07 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.70 5.16 0.23 -0.61 -4.36 -0.98 -4.89 121.20 114.04 2ida s ILE 11 Ca 0.21 -0.65 0.03 0.00 -0.26 0.00 0.00 60.65 59.97 2ida s ILE 11 Cb 0.16 -3.59 -0.01 0.00 1.25 0.00 0.00 42.46 40.26 2ida s ILE 11 CO 0.29 0.00 0.11 -2.11 0.24 0.00 0.00 174.94 173.47 2ida n ARG 12 N -0.16 0.61 -2.63 0.37 -4.01 -0.38 -5.02 116.66 105.44 2ida n ARG 12 Ca -0.07 -2.04 -0.42 0.00 -1.04 0.00 0.00 57.85 54.29 2ida n ARG 12 Cb 0.53 1.24 -0.03 0.00 -3.04 0.00 0.00 32.46 31.16 2ida n ARG 12 CO 0.00 0.00 0.00 0.99 -3.04 0.00 0.00 177.63 175.58 2ida s THR 13 N -2.54 3.92 0.41 8.89 2.01 -1.26 -4.70 115.64 122.37 2ida s THR 13 Ca 0.15 0.35 0.03 0.00 0.31 0.00 0.00 61.69 62.53 2ida s THR 13 Cb 0.01 -4.82 -0.00 0.00 0.01 0.00 0.00 72.50 67.69 2ida s THR 13 CO 0.11 -1.65 0.60 0.68 -0.69 0.00 0.00 174.62 173.67 2ida s VAL 14 N 5.20 3.93 -0.11 3.82 -7.23 -1.26 -5.11 120.40 119.64 2ida s VAL 14 Ca 0.34 -0.70 0.03 0.00 -1.81 0.00 0.00 61.98 59.84 2ida s VAL 14 Cb -0.10 -3.42 0.01 0.00 0.56 0.00 0.00 36.38 33.43 2ida s VAL 14 CO 0.16 -0.24 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.61 2ida s THR 15 N -2.42 1.92 0.34 5.32 2.01 -1.26 -4.92 115.64 116.63 2ida s THR 15 Ca 0.48 -0.92 -0.27 0.00 0.31 0.00 0.00 61.69 61.29 2ida s THR 15 Cb -0.10 -1.68 -0.09 0.00 0.01 0.00 0.00 72.50 70.64 2ida s THR 15 CO 0.35 0.53 1.13 -2.16 -0.69 0.00 0.00 174.62 173.78 2ida s PRO 16 N 0.58 4.35 0.00 4.92 0.04 -1.26 -4.61 135.00 139.03 2ida s PRO 16 Ca -0.14 1.79 0.10 0.00 0.04 0.00 0.00 61.00 62.80 2ida s PRO 16 Cb -0.17 -2.90 0.25 0.00 0.04 0.00 0.00 34.50 31.71 2ida s PRO 16 CO 0.04 -0.04 1.16 0.45 0.04 0.00 0.00 177.00 178.65 2ida n SER 17 N 0.59 2.68 -3.77 6.66 2.88 -1.23 -4.95 113.62 116.48 2ida n SER 17 Ca 0.02 -1.90 -0.13 0.00 -1.33 0.00 0.00 58.87 55.53 2ida n SER 17 Cb 0.46 -0.18 -0.10 0.00 -0.75 0.00 0.00 64.21 63.65 2ida n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ida s ALA 18 N -0.97 -0.77 -0.00 -1.46 0.00 -1.26 -5.02 121.76 112.27 2ida s ALA 18 Ca 0.20 0.55 -0.25 0.00 0.00 0.00 0.00 51.96 52.46 2ida s ALA 18 Cb 0.11 -0.18 -0.19 0.00 0.00 0.00 0.00 23.12 22.86 2ida s ALA 18 CO 0.14 -0.21 1.31 -0.07 0.00 0.00 0.00 175.76 176.93 2ida h LEU 19 N 4.62 0.07 0.00 0.00 3.38 -1.94 -3.45 115.31 117.99 2ida h LEU 19 Ca -0.28 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.23 2ida h LEU 19 Cb 1.18 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2ida h LEU 19 CO 0.36 0.52 0.00 0.61 0.09 0.00 0.00 178.44 180.02 2ida n GLY 20 N 0.15 5.45 3.58 0.83 0.00 -1.26 -4.74 105.19 109.19 2ida n GLY 20 Ca -0.08 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 2ida n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ida h GLU 22 N 11.77 0.22 0.11 0.00 4.81 -1.93 0.12 114.58 129.67 2ida h GLU 22 Ca -0.27 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 2ida h GLU 22 Cb 1.11 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.44 2ida h GLU 22 CO 1.16 0.14 -0.05 1.49 -0.73 0.00 0.00 179.01 181.02 2ida h GLU 23 N 0.22 -0.15 -0.22 1.92 4.57 -1.89 -2.78 114.58 116.26 2ida h GLU 23 Ca 0.51 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.63 2ida h GLU 23 Cb 1.00 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 2ida h GLU 23 CO -0.62 -0.04 -0.20 0.00 -1.18 0.00 0.00 179.01 176.96 2ida h LEU 25 N 0.35 0.00 -0.92 0.00 3.38 -0.55 0.26 115.31 117.83 2ida h LEU 25 Ca 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2ida h LEU 25 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2ida h LEU 25 CO 0.04 0.05 -0.25 0.07 0.09 0.00 0.00 178.44 178.43 2ida h LYS 26 N 0.00 0.00 0.00 1.13 2.10 -1.25 -3.29 116.57 115.26 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 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 2ida h LYS 26 CO 0.01 0.25 -0.04 0.44 -2.00 0.00 0.00 179.45 178.11 2ida n ILE 27 N -3.36 0.00 -1.56 0.07 -5.35 -1.02 -5.03 119.36 103.11 2ida n ILE 27 Ca 0.01 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 2ida n ILE 27 Cb 0.47 0.97 0.00 0.00 -1.74 0.00 0.00 39.64 39.35 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 0.87 0.56 3.73 3.28 0.00 0.34 -5.08 105.19 108.88 2ida n GLY 28 Ca 0.00 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.70 5.43 0.78 1.61 0.15 0.65 -5.01 113.70 114.61 2ida s SER 29 Ca 0.00 0.13 -0.11 0.00 0.70 0.00 0.00 55.95 56.66 2ida s SER 29 Cb 0.00 -1.53 0.06 0.00 -1.71 0.00 0.00 66.02 62.84 2ida s SER 29 CO 0.00 0.32 1.08 -2.16 1.20 0.00 0.00 173.24 173.68 2ida s PRO 30 N -1.36 2.21 0.13 5.44 0.04 -1.26 -4.55 135.00 135.65 2ida s PRO 30 Ca 0.18 0.85 -0.06 0.00 0.04 0.00 0.00 61.00 62.01 2ida s PRO 30 Cb -0.12 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 2ida s PRO 30 CO 0.08 -1.58 0.19 1.67 0.04 0.00 0.00 177.00 177.40 2ida s TRP 31 N -3.04 0.46 -0.02 0.56 -2.14 -1.26 -4.98 118.94 108.52 2ida s TRP 31 Ca 0.60 -0.86 -0.01 0.00 2.66 0.00 0.00 56.10 58.50 2ida s TRP 31 Cb -0.15 -0.18 -0.00 0.00 -3.10 0.00 0.00 33.47 30.03 2ida s TRP 31 CO 0.55 -0.61 -0.02 0.28 -2.66 0.00 0.00 176.95 174.49 2ida h VAL 32 N 2.71 0.00 -4.45 -0.66 2.07 -1.98 -3.39 116.25 110.54 2ida h VAL 32 Ca -0.33 -0.15 -0.21 0.00 0.82 0.00 0.00 66.70 66.83 2ida h VAL 32 Cb 1.21 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.83 2ida h VAL 32 CO 0.54 0.00 -0.64 -1.00 0.02 0.00 0.00 177.57 176.49 2ida s HIS 33 N -1.18 0.98 0.05 1.57 0.09 -1.26 -4.74 115.29 110.80 2ida s HIS 33 Ca -0.02 -1.28 0.05 0.00 -0.00 0.00 0.00 55.06 53.82 2ida s HIS 33 Cb 0.00 -0.52 -0.04 0.00 -0.00 0.00 0.00 32.58 32.03 2ida s HIS 33 CO 0.03 -0.55 -0.08 -0.51 -0.00 0.00 0.00 174.74 173.64 2ida s LEU 34 N -3.09 3.13 -0.04 0.89 2.01 -1.26 -2.06 118.68 118.25 2ida s LEU 34 Ca 0.29 -0.26 0.05 0.00 0.01 0.00 0.00 54.13 54.22 2ida s LEU 34 Cb 0.07 -1.86 -0.00 0.00 0.01 0.00 0.00 46.19 44.41 2ida s LEU 34 CO 0.05 0.23 -0.18 -0.13 1.01 0.00 0.00 176.35 177.33 2ida s ARG 35 N -1.83 1.80 -0.02 1.70 0.52 0.14 -1.70 118.95 119.56 2ida s ARG 35 Ca 0.20 -0.63 0.05 0.00 -0.52 0.00 0.00 55.73 54.83 2ida s ARG 35 Cb -0.11 -1.57 -0.01 0.00 0.52 0.00 0.00 34.95 33.77 2ida s ARG 35 CO 0.11 0.27 -0.18 -1.50 0.02 0.00 0.00 175.30 174.02 2ida s ILE 36 N -0.02 1.44 0.53 1.52 2.07 -0.69 -0.51 121.20 125.54 2ida s ILE 36 Ca -0.03 -0.77 -0.21 0.00 -1.41 0.00 0.00 60.65 58.23 2ida s ILE 36 Cb -0.11 -1.21 -0.05 0.00 0.13 0.00 0.00 42.46 41.21 2ida s ILE 36 CO 0.02 0.41 1.24 0.00 -1.91 0.00 0.00 174.94 174.70 2ida n ARG 38 N -0.99 1.66 -0.02 0.00 5.12 -0.72 -3.45 116.66 118.26 2ida n ARG 38 Ca 0.10 -1.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.00 2ida n ARG 38 Cb 0.48 -1.33 -0.01 0.00 -1.16 0.00 0.00 32.46 30.44 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 0.25 0.33 -0.08 0.55 -1.04 -1.26 -1.25 114.28 111.77 2ida n THR 39 Ca 0.14 0.39 -0.14 0.00 -2.04 0.00 0.00 64.05 62.40 2ida n THR 39 Cb 0.28 -1.63 -0.14 0.00 -1.82 0.00 0.00 70.33 67.01 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 1.91 0.91 3.72 0.00 0.00 -1.22 -4.63 105.19 105.87 2ida n GLY 41 Ca -0.34 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 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 3.65 0.14 1.61 5.65 -1.26 -3.54 115.29 119.53 2ida s HIS 42 Ca 0.00 1.54 -0.14 0.00 0.25 0.00 0.00 55.06 56.71 2ida s HIS 42 Cb 0.00 -2.99 -0.07 0.00 -1.18 0.00 0.00 32.58 28.34 2ida s HIS 42 CO 0.00 0.05 0.53 0.08 -0.65 0.00 0.00 174.74 174.75 2ida s VAL 43 N 0.82 4.88 0.26 0.89 1.01 -1.26 -3.46 120.40 123.55 2ida s VAL 43 Ca 0.46 0.79 -0.10 0.00 0.00 0.00 0.00 61.98 63.14 2ida s VAL 43 Cb -0.20 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 2ida s VAL 43 CO 0.25 0.26 0.45 -0.83 0.00 0.00 0.00 175.10 175.22 2ida s GLY 44 N -1.71 0.79 0.36 4.51 0.00 0.34 -4.21 107.32 107.40 2ida s GLY 44 Ca 0.37 -1.08 -0.06 0.00 0.00 0.00 0.00 44.72 43.95 2ida s GLY 44 CO 0.19 -0.77 0.65 0.00 0.00 0.00 0.00 173.10 173.18 2ida n ASP 47 N -3.78 0.00 -0.12 0.00 5.75 -1.26 -2.59 116.55 114.55 2ida n ASP 47 Ca 0.11 -0.16 -0.10 0.00 -0.01 0.00 0.00 54.79 54.63 2ida n ASP 47 Cb 0.52 -0.25 -0.02 0.00 -1.03 0.00 0.00 41.12 40.34 2ida n ASP 47 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2ida h ASP 48 N 0.00 0.55 -3.19 -1.12 3.58 -1.97 -3.43 116.42 110.84 2ida h ASP 48 Ca 0.00 -0.25 -0.53 0.00 0.42 0.00 0.00 57.03 56.67 2ida h ASP 48 Cb 0.21 -0.15 0.02 0.00 1.72 0.00 0.00 39.33 41.12 2ida h ASP 48 CO 0.00 0.66 0.63 -0.44 -2.88 0.00 0.00 179.24 177.21 2ida s SER 49 N -5.98 6.97 0.37 2.28 0.01 -1.07 -4.92 113.70 111.37 2ida s SER 49 Ca -0.13 2.20 0.20 0.00 1.31 0.00 0.00 55.95 59.52 2ida s SER 49 Cb 0.09 -2.59 1.24 0.00 0.21 0.00 0.00 66.02 64.97 2ida s SER 49 CO 0.76 -0.52 1.63 -0.65 0.41 0.00 0.00 173.24 174.87 2ida h PRO 50 N 6.42 0.17 -0.83 12.44 0.11 -1.86 0.18 132.00 148.62 2ida h PRO 50 Ca -0.43 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.75 2ida h PRO 50 Cb 1.21 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.22 2ida h PRO 50 CO 0.82 0.11 0.49 0.45 -0.21 0.00 0.00 178.00 179.66 2ida h HIS 51 N 0.17 0.90 -6.46 0.65 3.86 -1.91 -3.46 115.15 108.90 2ida h HIS 51 Ca 0.79 0.03 -0.49 0.00 -1.16 0.00 0.00 60.37 59.54 2ida h HIS 51 Cb 2.03 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 30.20 2ida h HIS 51 CO -0.01 0.42 -0.91 1.63 0.86 0.00 0.00 177.93 179.92 2ida n LYS 52 N -4.69 -2.58 0.19 2.45 5.02 0.63 -4.86 118.16 114.32 2ida n LYS 52 Ca 0.13 0.39 0.05 0.00 -2.02 0.00 0.00 58.31 56.86 2ida n LYS 52 Cb 0.22 -4.30 0.38 0.00 -0.02 0.00 0.00 35.03 31.32 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 0.00 -0.32 2.13 2.76 -1.79 -2.46 115.15 113.56 2ida h HIS 53 Ca -0.64 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 57.41 2ida h HIS 53 Cb 1.37 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.33 2ida h HIS 53 CO 0.44 0.37 -0.26 0.00 -1.30 0.00 0.00 177.93 177.18 2ida h ALA 54 N 1.63 0.47 -0.22 5.26 0.00 -1.73 -1.58 119.26 123.09 2ida h ALA 54 Ca -0.00 -0.39 -0.19 0.00 0.00 0.00 0.00 54.91 54.32 2ida h ALA 54 Cb 0.74 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2ida h ALA 54 CO 0.05 0.46 -0.62 1.79 0.00 0.00 0.00 179.25 180.93 2ida h THR 55 N 0.51 1.28 -0.30 0.00 1.35 -1.78 0.66 112.91 114.64 2ida h THR 55 Ca 0.06 -1.82 0.02 0.00 -0.55 0.00 0.00 66.41 64.12 2ida h THR 55 Cb 0.82 1.81 -0.03 0.00 -1.73 0.00 0.00 68.15 69.03 2ida h THR 55 CO 0.07 0.58 0.13 0.03 -0.25 0.00 0.00 175.52 176.08 2ida h ARG 56 N 0.56 0.28 -0.45 4.72 3.08 -1.46 -1.26 114.38 119.85 2ida h ARG 56 Ca -0.02 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 2ida h ARG 56 Cb 1.24 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 2ida h ARG 56 CO 0.13 0.18 0.03 1.25 -1.07 0.00 0.00 179.97 180.50 2ida h HIS 57 N 0.28 0.75 -0.42 3.04 2.76 -1.20 -1.25 115.15 119.10 2ida h HIS 57 Ca 0.13 -0.09 0.03 0.00 -2.20 0.00 0.00 60.37 58.24 2ida h HIS 57 Cb 0.06 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 28.78 2ida h HIS 57 CO -0.11 0.69 0.22 0.35 -1.30 0.00 0.00 177.93 177.78 2ida h PHE 58 N 0.68 0.42 0.00 5.26 3.57 -0.24 0.80 116.94 127.42 2ida h PHE 58 Ca 0.14 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 2ida h PHE 58 Cb 0.38 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2ida h PHE 58 CO 0.02 0.22 -0.35 0.45 -2.23 0.00 0.00 178.31 176.42 2ida h HIS 59 N 0.45 0.00 -0.00 0.41 3.86 -0.85 0.29 115.15 119.31 2ida h HIS 59 Ca 0.18 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.31 2ida h HIS 59 Cb 0.06 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.54 2ida h HIS 59 CO -0.09 0.35 -0.28 0.00 0.86 0.00 0.00 177.93 178.77 2ida h ALA 60 N 1.65 0.04 -0.01 2.45 0.00 -0.43 -3.38 119.26 119.58 2ida h ALA 60 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2ida h ALA 60 Cb 0.74 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2ida h ALA 60 CO 0.05 0.11 -0.40 0.25 0.00 0.00 0.00 179.25 179.26 2ida n THR 61 N -4.48 0.00 -3.08 0.00 -2.24 0.20 -5.01 114.28 99.67 2ida n THR 61 Ca -0.10 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.25 2ida n THR 61 Cb 0.52 1.09 0.07 0.00 -2.10 0.00 0.00 70.33 69.91 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 1.13 -0.49 3.00 3.38 0.00 0.10 -5.00 105.19 107.30 2ida n GLY 62 Ca 0.04 0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.31 3.33 -0.64 1.61 3.76 -1.20 -4.96 115.29 113.88 2ida s HIS 63 Ca 0.17 -3.03 0.26 0.00 -0.15 0.00 0.00 55.06 52.31 2ida s HIS 63 Cb -0.02 -2.93 0.79 0.00 1.11 0.00 0.00 32.58 31.53 2ida s HIS 63 CO 0.61 -0.80 1.75 -1.00 -0.85 0.00 0.00 174.74 174.45 2ida h PRO 64 N 6.82 0.00 -4.94 8.40 0.13 -1.94 -3.44 132.00 137.02 2ida h PRO 64 Ca -0.06 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.42 2ida h PRO 64 Cb 0.93 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.84 2ida h PRO 64 CO 0.67 0.00 -0.61 0.42 -0.23 0.00 0.00 178.00 178.25 2ida s ILE 65 N -3.16 4.40 0.37 -3.56 1.01 -1.26 0.15 121.20 119.15 2ida s ILE 65 Ca 0.09 -0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.67 2ida s ILE 65 Cb 0.11 -3.07 -0.07 0.00 0.01 0.00 0.00 42.46 39.44 2ida s ILE 65 CO 0.58 0.33 -0.01 0.27 0.00 0.00 0.00 174.94 176.10 2ida s ILE 66 N 1.63 1.89 0.06 2.92 -4.36 0.12 -1.76 121.20 121.69 2ida s ILE 66 Ca 0.06 -2.06 0.03 0.00 -0.26 0.00 0.00 60.65 58.42 2ida s ILE 66 Cb -0.15 -2.82 -0.03 0.00 1.25 0.00 0.00 42.46 40.71 2ida s ILE 66 CO 0.04 -0.08 -0.09 -0.70 0.24 0.00 0.00 174.94 174.36 2ida s GLU 67 N -3.72 0.62 -0.54 0.37 2.12 0.18 -0.10 118.70 117.64 2ida s GLU 67 Ca 0.34 -0.88 -0.27 0.00 0.36 0.00 0.00 54.97 54.53 2ida s GLU 67 Cb 0.07 -0.36 -0.03 0.00 0.26 0.00 0.00 34.13 34.07 2ida s GLU 67 CO 0.17 0.06 2.00 0.20 -0.54 0.00 0.00 175.26 177.14 2ida s GLY 68 N -1.84 0.11 0.09 -1.50 0.00 -0.25 -1.70 107.32 102.24 2ida s GLY 68 Ca -0.05 -0.35 0.04 0.00 0.00 0.00 0.00 44.72 44.35 2ida s GLY 68 CO -0.00 3.59 1.19 -1.82 0.00 0.00 0.00 173.10 176.07 2ida h TYR 69 N 15.91 0.15 0.01 1.90 3.20 -1.64 -3.35 116.97 133.14 2ida h TYR 69 Ca -0.27 -0.11 -0.00 0.00 3.14 0.00 0.00 58.73 61.50 2ida h TYR 69 Cb 1.19 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.46 2ida h TYR 69 CO 1.01 1.09 -0.00 0.22 -1.64 0.00 0.00 178.16 178.84 2ida h ASP 70 N 0.02 -0.01 -3.02 -2.11 3.58 -1.84 -3.38 116.42 109.67 2ida h ASP 70 Ca -0.07 -0.82 -0.57 0.00 0.42 0.00 0.00 57.03 55.99 2ida h ASP 70 Cb 1.85 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.85 2ida h ASP 70 CO 0.15 0.87 0.85 -2.84 -2.88 0.00 0.00 179.24 175.39 2ida s PRO 71 N -2.36 4.24 0.00 0.28 0.02 -1.26 -4.92 135.00 131.01 2ida s PRO 71 Ca -0.16 1.47 0.00 0.00 0.02 0.00 0.00 61.00 62.33 2ida s PRO 71 Cb -0.02 -3.70 0.00 0.00 0.02 0.00 0.00 34.50 30.80 2ida s PRO 71 CO 0.60 -0.68 1.25 -2.30 -0.33 0.00 0.00 177.00 175.55 2ida n PRO 72 N 6.47 0.74 -0.11 5.54 -0.02 -1.26 -3.88 135.00 142.47 2ida n PRO 72 Ca 0.13 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.39 2ida n PRO 72 Cb 0.46 -1.13 -0.11 0.00 -0.02 0.00 0.00 33.50 32.69 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 1.34 0.56 -0.27 -0.52 1.02 -1.26 -5.06 120.64 116.45 2ida n GLU 73 Ca 0.00 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 2ida n GLU 73 Cb 0.37 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 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 1.42 0.62 3.07 0.62 0.00 -1.25 -4.54 105.19 105.14 2ida n GLY 74 Ca -0.33 -0.64 -0.16 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.18 0.85 0.14 1.61 1.48 -1.26 -0.80 118.94 118.77 2ida s TRP 75 Ca 0.00 -0.36 0.09 0.00 -1.06 0.00 0.00 56.10 54.77 2ida s TRP 75 Cb 0.00 -0.51 -0.04 0.00 -1.16 0.00 0.00 33.47 31.76 2ida s TRP 75 CO 0.00 -0.02 -0.14 0.20 -4.06 0.00 0.00 176.95 172.93 2ida s GLY 76 N -1.14 1.72 -0.05 3.67 0.00 0.13 -1.09 107.32 110.57 2ida s GLY 76 Ca -0.03 -1.39 0.04 0.00 0.00 0.00 0.00 44.72 43.34 2ida s GLY 76 CO 0.01 -1.39 -0.18 0.86 0.00 0.00 0.00 173.10 172.40 2ida s TRP 77 N -1.37 1.81 -0.41 1.90 -0.11 0.86 -0.42 118.94 121.19 2ida s TRP 77 Ca 0.21 -0.56 -0.07 0.00 1.22 0.00 0.00 56.10 56.90 2ida s TRP 77 Cb -0.10 -1.22 0.09 0.00 -1.50 0.00 0.00 33.47 30.74 2ida s TRP 77 CO 0.12 -0.21 0.23 0.00 -4.62 0.00 0.00 176.95 172.48 2ida h TYR 79 N 8.27 -0.80 0.00 0.00 0.05 -0.62 0.68 116.97 124.55 2ida h TYR 79 Ca -0.19 0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.64 2ida h TYR 79 Cb 1.07 0.42 -0.00 0.00 1.01 0.00 0.00 36.73 39.23 2ida h TYR 79 CO 0.60 -0.36 -0.05 -0.39 -1.05 0.00 0.00 178.16 176.91 2ida h VAL 80 N -0.19 0.17 0.01 -2.88 -1.51 -1.95 -2.96 116.25 106.94 2ida h VAL 80 Ca 0.20 -0.53 -0.35 0.00 -1.23 0.00 0.00 66.70 64.80 2ida h VAL 80 Cb 0.52 1.45 -0.06 0.00 -2.13 0.00 0.00 31.29 31.07 2ida h VAL 80 CO -0.58 0.05 -2.16 0.47 -1.23 0.00 0.00 177.57 174.12 2ida n ASP 81 N -3.21 0.61 -0.97 4.19 9.92 -0.12 -4.98 116.55 121.99 2ida n ASP 81 Ca -0.00 0.13 -0.11 0.00 -0.53 0.00 0.00 54.79 54.28 2ida n ASP 81 Cb 0.28 0.41 -0.03 0.00 -0.64 0.00 0.00 41.12 41.13 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 -2.94 -0.80 -4.45 -1.24 1.02 0.22 -5.01 120.64 107.44 2ida n GLU 82 Ca -0.29 0.78 -0.32 0.00 -0.02 0.00 0.00 57.16 57.31 2ida n GLU 82 Cb 1.10 -4.79 -0.11 0.00 -0.02 0.00 0.00 31.44 27.63 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 -2.45 3.54 -0.16 2.62 -7.23 -1.24 -4.96 120.40 110.52 2ida s VAL 83 Ca 0.00 -0.88 -0.04 0.00 -1.81 0.00 0.00 61.98 59.25 2ida s VAL 83 Cb 0.00 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 2ida s VAL 83 CO 0.00 0.35 -0.02 -0.32 -0.31 0.00 0.00 175.10 174.80 2ida s MET 84 N -1.53 3.70 0.18 4.82 1.75 -1.26 -1.95 119.30 125.02 2ida s MET 84 Ca 0.18 -0.48 0.05 0.00 -1.25 0.00 0.00 55.69 54.18 2ida s MET 84 Cb -0.11 -2.96 -0.05 0.00 2.84 0.00 0.00 34.83 34.55 2ida s MET 84 CO 0.08 0.27 -0.09 -0.59 -0.65 0.00 0.00 175.02 174.04 2ida s PHE 85 N 0.31 1.41 -0.05 4.11 -0.71 0.44 -0.49 117.98 122.99 2ida s PHE 85 Ca -0.02 -0.76 -0.29 0.00 -1.04 0.00 0.00 56.93 54.81 2ida s PHE 85 Cb -0.14 -0.73 -0.02 0.00 -1.21 0.00 0.00 43.02 40.92 2ida s PHE 85 CO 0.02 0.10 0.95 0.34 -1.34 0.00 0.00 175.22 175.29 2ida s ASP 86 N -3.23 7.26 -0.06 1.98 2.15 -0.96 0.19 116.67 123.99 2ida s ASP 86 Ca 0.20 1.53 0.09 0.00 0.43 0.00 0.00 52.55 54.81 2ida s ASP 86 Cb 0.03 -2.54 0.14 0.00 -0.30 0.00 0.00 42.92 40.25 2ida s ASP 86 CO 0.03 -0.32 1.04 0.18 -0.17 0.00 0.00 175.17 175.93 2ida n LEU 87 N 4.36 1.34 0.29 -1.34 4.77 -0.45 -4.83 117.00 121.14 2ida n LEU 87 Ca 0.06 -2.04 0.16 0.00 -0.03 0.00 0.00 56.01 54.16 2ida n LEU 87 Cb 0.50 -0.21 0.91 0.00 -2.33 0.00 0.00 43.42 42.29 2ida n LEU 87 CO 0.51 0.48 1.09 -1.28 -1.33 0.00 0.00 177.39 176.86 2ida h SER 88 N 0.00 0.00 1.11 -1.43 0.87 -1.21 0.37 113.55 113.26 2ida h SER 88 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2ida h SER 88 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2ida h SER 88 CO 0.00 0.03 0.00 0.47 -0.53 0.00 0.00 176.83 176.80 2ida n ASP 89 N -3.64 0.21 0.00 6.23 8.00 -1.26 -3.43 116.55 122.65 2ida n ASP 89 Ca -0.03 0.52 0.00 0.00 0.71 0.00 0.00 54.79 55.99 2ida n ASP 89 Cb 0.13 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 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 -1.70 0.62 -1.63 -1.24 1.74 0.92 -5.10 116.66 110.27 2ida n ARG 90 Ca 0.07 -0.71 -0.42 0.00 -0.77 0.00 0.00 57.85 56.01 2ida n ARG 90 Cb 0.36 -0.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.99 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 -0.15 1.56 -3.39 5.56 0.00 0.87 -4.92 117.12 116.64 2ida n MET 91 Ca 0.00 0.55 -0.44 0.00 0.00 0.00 0.00 57.70 57.81 2ida n MET 91 Cb 0.22 -2.07 -0.06 0.00 0.00 0.00 0.00 33.22 31.31 2ida n MET 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2ida s THR 92 N -1.17 4.92 0.74 3.17 2.01 -1.26 -5.06 115.64 118.99 2ida s THR 92 Ca 0.60 -1.69 -0.12 0.00 0.31 0.00 0.00 61.69 60.79 2ida s THR 92 Cb -0.59 -4.17 0.04 0.00 0.01 0.00 0.00 72.50 67.79 2ida s THR 92 CO 0.59 -0.86 1.10 -2.84 -0.69 0.00 0.00 174.62 171.93 2ida s PRO 93 N 1.39 2.38 0.19 4.92 0.02 -1.26 -4.79 135.00 137.84 2ida s PRO 93 Ca 0.05 1.29 -0.30 0.00 0.02 0.00 0.00 61.00 62.06 2ida s PRO 93 Cb -0.27 -1.90 -0.08 0.00 0.02 0.00 0.00 34.50 32.26 2ida s PRO 93 CO 0.01 -1.57 1.12 -3.38 -0.33 0.00 0.00 177.00 172.85 2ida s HIS 94 N -2.66 3.57 -0.41 6.54 -3.43 -1.26 -4.87 115.29 112.77 2ida s HIS 94 Ca 0.64 1.58 0.26 0.00 -0.80 0.00 0.00 55.06 56.74 2ida s HIS 94 Cb -0.19 -3.30 0.98 0.00 -1.43 0.00 0.00 32.58 28.64 2ida s HIS 94 CO 0.51 -0.69 1.78 -2.95 -2.00 0.00 0.00 174.74 171.38 2ida h ASN 95 N 4.98 0.00 -5.28 7.38 -1.07 -1.89 -3.45 115.58 116.25 2ida h ASN 95 Ca -0.45 0.00 -0.11 0.00 0.07 0.00 0.00 56.30 55.81 2ida h ASN 95 Cb 1.21 0.00 -0.13 0.00 -2.07 0.00 0.00 38.32 37.33 2ida h ASN 95 CO 0.72 0.00 -0.37 -0.83 0.07 0.00 0.00 177.43 177.02 2ida s GLY 96 N -3.73 0.53 -0.19 9.14 0.00 -1.26 -5.10 107.32 106.70 2ida s GLY 96 Ca 0.05 -0.95 -0.29 0.00 0.00 0.00 0.00 44.72 43.53 2ida s GLY 96 CO 0.49 -0.91 1.88 2.56 0.00 0.00 0.00 173.10 177.11 2ida s PRO 97 N -3.97 3.59 -0.02 2.90 0.04 -1.26 -4.97 135.00 131.31 2ida s PRO 97 Ca 0.17 1.89 -0.29 0.00 0.04 0.00 0.00 61.00 62.81 2ida s PRO 97 Cb 0.04 -4.18 -0.03 0.00 0.04 0.00 0.00 34.50 30.37 2ida s PRO 97 CO -0.00 -1.56 0.95 0.42 0.04 0.00 0.00 177.00 176.84 2ida s ILE 98 N 6.23 4.88 -0.01 0.56 1.01 -1.26 -4.99 121.20 127.62 2ida s ILE 98 Ca 0.84 1.98 -0.35 0.00 0.00 0.00 0.00 60.65 63.12 2ida s ILE 98 Cb -0.30 -4.28 -0.13 0.00 0.01 0.00 0.00 42.46 37.76 2ida s ILE 98 CO 0.34 0.15 1.74 -2.65 0.00 0.00 0.00 174.94 174.51 2ida n PRO 99 N 4.05 2.02 -2.96 2.79 -0.02 -1.26 -4.92 135.00 134.69 2ida n PRO 99 Ca 0.05 0.73 -0.44 0.00 -2.02 0.00 0.00 63.50 61.83 2ida n PRO 99 Cb 0.51 -2.53 -0.04 0.00 -0.02 0.00 0.00 33.50 31.42 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 2.77 3.20 -0.12 -0.52 6.06 -1.26 -4.85 118.95 124.23 2ida s ARG 100 Ca 0.88 -1.20 -0.24 0.00 -2.50 0.00 0.00 55.73 52.67 2ida s ARG 100 Cb -0.74 -4.38 -0.27 0.00 0.06 0.00 0.00 34.95 29.63 2ida s ARG 100 CO 0.48 -1.71 0.70 1.88 -2.50 0.00 0.00 175.30 174.15 2ida h TYR 101 N 9.27 0.22 -0.00 5.12 0.05 -1.91 -3.53 116.97 126.19 2ida h TYR 101 Ca -0.19 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.43 2ida h TYR 101 Cb 1.07 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.80 2ida h TYR 101 CO 0.97 1.23 0.00 1.33 -1.05 0.00 0.00 178.16 180.64