#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 -0.09 3.17 5.66 0.12 -4.94 114.28 118.20 2ida n THR 2 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 2ida n THR 2 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 2ida n THR 2 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 175.07 171.99 2ida h MET 3 N 0.00 0.49 0.00 1.09 4.05 -1.98 -3.30 114.93 115.28 2ida h MET 3 Ca 0.00 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 2ida h MET 3 Cb 0.00 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.76 2ida h MET 3 CO 0.00 0.66 0.00 0.41 0.23 0.00 0.00 176.91 178.21 2ida n GLY 4 N -0.30 0.64 3.92 1.39 0.00 -1.26 -4.72 105.19 104.87 2ida n GLY 4 Ca -0.03 -1.01 0.01 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.02 -2.12 114.38 112.35 2ida h ARG 6 Ca -0.24 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.83 2ida h ARG 6 Cb 1.19 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.27 2ida h ARG 6 CO 0.32 0.06 -0.02 0.45 0.10 0.00 0.00 179.97 180.88 2ida h HIS 7 N 0.00 0.00 0.00 4.08 3.86 -2.00 -0.74 115.15 120.34 2ida h HIS 7 Ca -0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 2ida h HIS 7 Cb 0.32 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 2ida h HIS 7 CO 0.00 0.02 -0.21 0.28 0.86 0.00 0.00 177.93 178.88 2ida h VAL 8 N 0.00 1.07 0.00 2.45 2.07 -1.78 -2.07 116.25 117.99 2ida h VAL 8 Ca -0.00 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2ida h VAL 8 Cb 0.06 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2ida h VAL 8 CO 0.00 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.80 2ida n ALA 9 N -2.46 2.37 0.07 1.67 0.00 -0.28 -2.60 120.51 119.28 2ida n ALA 9 Ca -0.02 -0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.29 2ida n ALA 9 Cb 0.28 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.33 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 0.68 -0.40 3.91 0.00 0.00 -0.78 -5.03 105.19 103.57 2ida n GLY 10 Ca 0.16 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.36 5.19 0.25 -0.61 -4.36 -1.07 -4.99 121.20 115.25 2ida s ILE 11 Ca 0.03 -0.65 0.02 0.00 -0.26 0.00 0.00 60.65 59.79 2ida s ILE 11 Cb 0.02 -3.62 -0.05 0.00 1.25 0.00 0.00 42.46 40.06 2ida s ILE 11 CO 0.03 -0.01 0.05 0.00 0.24 0.00 0.00 174.94 175.25 2ida s ARG 12 N -2.94 1.39 -0.05 0.37 3.03 -0.60 -5.02 118.95 115.12 2ida s ARG 12 Ca 0.34 -1.73 -0.30 0.00 2.03 0.00 0.00 55.73 56.07 2ida s ARG 12 Cb -0.12 -0.46 -0.05 0.00 -1.03 0.00 0.00 34.95 33.30 2ida s ARG 12 CO 0.27 -0.20 1.56 0.99 -1.13 0.00 0.00 175.30 176.79 2ida s THR 13 N -3.58 3.66 0.57 4.99 2.01 -1.26 -4.46 115.64 117.57 2ida s THR 13 Ca 0.33 0.87 0.06 0.00 0.31 0.00 0.00 61.69 63.27 2ida s THR 13 Cb 0.07 -3.56 0.06 0.00 0.01 0.00 0.00 72.50 69.08 2ida s THR 13 CO 0.11 -0.06 0.53 0.68 -0.69 0.00 0.00 174.62 175.19 2ida s VAL 14 N 3.59 1.65 -0.10 3.82 -7.23 -1.26 -5.04 120.40 115.83 2ida s VAL 14 Ca 0.69 -1.36 0.02 0.00 -1.81 0.00 0.00 61.98 59.52 2ida s VAL 14 Cb -0.32 -2.01 0.02 0.00 0.56 0.00 0.00 36.38 34.63 2ida s VAL 14 CO 0.27 0.00 -0.13 -0.89 -0.31 0.00 0.00 175.10 174.04 2ida s THR 15 N -2.79 1.34 0.18 5.32 2.01 -1.26 -4.91 115.64 115.53 2ida s THR 15 Ca 0.40 -0.55 -0.32 0.00 0.31 0.00 0.00 61.69 61.54 2ida s THR 15 Cb -0.03 -1.23 -0.11 0.00 0.01 0.00 0.00 72.50 71.14 2ida s THR 15 CO 0.26 0.41 1.61 -2.84 -0.69 0.00 0.00 174.62 173.37 2ida s PRO 16 N 0.99 4.19 0.11 4.92 0.02 -1.25 -4.51 135.00 139.46 2ida s PRO 16 Ca -0.07 2.44 0.24 0.00 0.02 0.00 0.00 61.00 63.63 2ida s PRO 16 Cb -0.15 -3.13 0.94 0.00 0.02 0.00 0.00 34.50 32.18 2ida s PRO 16 CO -0.01 -0.65 1.75 -1.13 -0.33 0.00 0.00 177.00 176.63 2ida n SER 17 N 3.94 0.37 -1.74 2.53 3.41 -0.53 -4.87 113.62 116.73 2ida n SER 17 Ca 0.14 0.55 -0.06 0.00 -0.26 0.00 0.00 58.87 59.25 2ida n SER 17 Cb 0.37 -0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 63.65 2ida n SER 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ida n ALA 18 N -1.64 0.18 -0.09 7.33 0.00 -1.26 -5.06 120.51 119.97 2ida n ALA 18 Ca 0.05 -0.64 -0.22 0.00 0.00 0.00 0.00 53.44 52.63 2ida n ALA 18 Cb 0.31 0.52 -0.12 0.00 0.00 0.00 0.00 19.45 20.16 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 2.48 0.00 0.00 4.77 -1.26 -4.66 117.00 118.33 2ida n LEU 19 Ca 0.02 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2ida n LEU 19 Cb 0.20 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 2ida n LEU 19 CO 0.10 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 2ida n GLY 20 N 1.83 3.94 3.54 -0.72 0.00 -1.26 -4.62 105.19 107.91 2ida n GLY 20 Ca -0.42 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 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 9.94 -0.59 0.07 0.00 4.81 -1.97 -2.39 114.58 124.45 2ida h GLU 22 Ca -0.21 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2ida h GLU 22 Cb 1.05 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2ida h GLU 22 CO 1.29 -0.39 -0.03 1.49 -0.73 0.00 0.00 179.01 180.64 2ida h GLU 23 N -0.61 -0.09 -0.82 1.92 4.81 -1.91 -3.19 114.58 114.69 2ida h GLU 23 Ca 0.03 0.01 0.24 0.00 -0.13 0.00 0.00 59.36 59.50 2ida h GLU 23 Cb 0.69 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 2ida h GLU 23 CO -0.41 0.18 0.61 0.00 -0.73 0.00 0.00 179.01 178.65 2ida h LEU 25 N 0.00 0.04 -1.77 0.00 3.38 -1.42 0.26 115.31 115.81 2ida h LEU 25 Ca 0.39 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.33 2ida h LEU 25 Cb 1.60 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.34 2ida h LEU 25 CO -0.00 0.02 -0.15 0.07 0.09 0.00 0.00 178.44 178.47 2ida h LYS 26 N 0.05 0.00 0.00 1.13 2.10 -1.10 -2.97 116.57 115.77 2ida h LYS 26 Ca 0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.87 2ida h LYS 26 Cb 0.83 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 2ida h LYS 26 CO -0.01 0.15 0.00 0.44 -2.00 0.00 0.00 179.45 178.03 2ida n ILE 27 N -4.18 0.34 -3.28 0.07 -5.35 -0.61 -5.00 119.36 101.35 2ida n ILE 27 Ca -0.02 -0.58 -0.17 0.00 -0.27 0.00 0.00 62.75 61.71 2ida n ILE 27 Cb 0.22 0.93 0.06 0.00 -1.74 0.00 0.00 39.64 39.11 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 -0.17 -0.11 3.68 3.28 0.00 0.73 -4.97 105.19 107.62 2ida n GLY 28 Ca 0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.24 7.17 0.94 1.61 0.15 -0.06 -4.99 113.70 115.27 2ida s SER 29 Ca 0.41 1.44 -0.14 0.00 0.70 0.00 0.00 55.95 58.37 2ida s SER 29 Cb -0.18 -2.54 0.16 0.00 -1.71 0.00 0.00 66.02 61.74 2ida s SER 29 CO 0.52 -0.51 1.18 -2.16 1.20 0.00 0.00 173.24 173.46 2ida s PRO 30 N 2.42 0.93 0.11 5.44 0.04 -1.26 -4.71 135.00 137.97 2ida s PRO 30 Ca 0.46 0.09 -0.14 0.00 0.04 0.00 0.00 61.00 61.45 2ida s PRO 30 Cb -0.17 -1.83 0.03 0.00 0.04 0.00 0.00 34.50 32.56 2ida s PRO 30 CO 0.13 -2.30 0.35 1.67 0.04 0.00 0.00 177.00 176.89 2ida s TRP 31 N -3.41 -0.13 -0.08 0.56 -2.14 -1.26 -4.92 118.94 107.56 2ida s TRP 31 Ca 0.66 -0.19 -0.01 0.00 2.66 0.00 0.00 56.10 59.22 2ida s TRP 31 Cb -0.12 0.18 -0.01 0.00 -3.10 0.00 0.00 33.47 30.43 2ida s TRP 31 CO 0.53 -0.65 0.05 0.28 -2.66 0.00 0.00 176.95 174.50 2ida h VAL 32 N 2.51 0.00 -3.40 -0.66 2.07 -1.94 -3.39 116.25 111.44 2ida h VAL 32 Ca -0.34 -0.83 -0.22 0.00 0.82 0.00 0.00 66.70 66.13 2ida h VAL 32 Cb 1.24 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 2ida h VAL 32 CO 0.49 0.00 -0.18 1.41 0.02 0.00 0.00 177.57 179.31 2ida n HIS 33 N -4.42 -0.74 -4.40 1.57 -0.00 -1.26 -4.36 115.22 101.60 2ida n HIS 33 Ca -0.00 -1.48 -0.20 0.00 -0.00 0.00 0.00 57.72 56.03 2ida n HIS 33 Cb 0.02 0.24 -0.14 0.00 -0.00 0.00 0.00 29.99 30.11 2ida n HIS 33 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2ida s LEU 34 N 0.00 2.09 0.03 2.41 1.43 -1.26 -1.13 118.68 122.25 2ida s LEU 34 Ca 0.20 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 2ida s LEU 34 Cb 0.00 -0.56 -0.02 0.00 0.03 0.00 0.00 46.19 45.65 2ida s LEU 34 CO 0.14 0.08 -0.06 0.00 0.23 0.00 0.00 176.35 176.74 2ida s ARG 35 N -0.68 0.45 -0.01 1.70 3.03 0.53 -2.40 118.95 121.57 2ida s ARG 35 Ca 0.02 -0.57 0.04 0.00 2.03 0.00 0.00 55.73 57.25 2ida s ARG 35 Cb -0.06 -0.24 -0.01 0.00 -1.03 0.00 0.00 34.95 33.61 2ida s ARG 35 CO 0.00 0.05 -0.14 -1.50 -1.13 0.00 0.00 175.30 172.58 2ida s ILE 36 N -1.05 1.09 0.38 4.99 2.07 -0.49 -0.35 121.20 127.84 2ida s ILE 36 Ca -0.08 -0.59 -0.27 0.00 -1.41 0.00 0.00 60.65 58.30 2ida s ILE 36 Cb -0.08 -0.91 -0.09 0.00 0.13 0.00 0.00 42.46 41.52 2ida s ILE 36 CO 0.00 0.30 1.26 0.00 -1.91 0.00 0.00 174.94 174.59 2ida n ARG 38 N 0.32 1.16 0.05 0.00 5.12 -1.21 -3.61 116.66 118.49 2ida n ARG 38 Ca 0.03 -0.31 0.00 0.00 -1.93 0.00 0.00 57.85 55.64 2ida n ARG 38 Cb 0.44 -1.12 0.00 0.00 -1.16 0.00 0.00 32.46 30.62 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 1.16 0.00 1.02 0.55 -1.04 -1.26 -1.56 114.28 113.16 2ida n THR 39 Ca 0.06 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.18 2ida n THR 39 Cb 0.53 -0.15 0.01 0.00 -1.82 0.00 0.00 70.33 68.91 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 1.42 0.62 3.71 0.00 0.00 -1.24 -4.91 105.19 104.79 2ida n GLY 41 Ca 0.09 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.82 3.48 -0.04 1.61 5.65 -1.26 -1.45 115.29 121.45 2ida s HIS 42 Ca 0.00 0.85 -0.25 0.00 0.25 0.00 0.00 55.06 55.92 2ida s HIS 42 Cb 0.00 -2.57 -0.04 0.00 -1.18 0.00 0.00 32.58 28.79 2ida s HIS 42 CO 0.00 0.11 0.75 0.08 -0.65 0.00 0.00 174.74 175.03 2ida s VAL 43 N 0.85 4.99 0.09 0.89 1.01 -1.26 -3.43 120.40 123.53 2ida s VAL 43 Ca 0.25 1.57 0.07 0.00 0.00 0.00 0.00 61.98 63.87 2ida s VAL 43 Cb -0.15 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 2ida s VAL 43 CO 0.10 0.25 -0.19 -0.83 0.00 0.00 0.00 175.10 174.43 2ida s GLY 44 N 0.75 1.12 0.49 4.51 0.00 0.52 -4.47 107.32 110.24 2ida s GLY 44 Ca 0.40 -1.16 -0.18 0.00 0.00 0.00 0.00 44.72 43.78 2ida s GLY 44 CO 0.20 -1.16 0.98 0.00 0.00 0.00 0.00 173.10 173.12 2ida n ASP 47 N -0.86 0.00 0.23 0.00 8.00 -1.26 -2.00 116.55 120.66 2ida n ASP 47 Ca 0.10 -0.84 0.07 0.00 0.71 0.00 0.00 54.79 54.83 2ida n ASP 47 Cb 0.44 -0.04 0.54 0.00 -0.02 0.00 0.00 41.12 42.04 2ida n ASP 47 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2ida h ASP 48 N 0.00 0.00 -3.51 -2.24 5.19 -1.98 -3.43 116.42 110.46 2ida h ASP 48 Ca 0.00 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.88 2ida h ASP 48 Cb 0.04 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.51 2ida h ASP 48 CO 0.00 0.22 0.11 -0.44 -3.12 0.00 0.00 179.24 176.00 2ida s SER 49 N -6.65 7.15 0.46 6.45 0.01 -0.85 -4.97 113.70 115.31 2ida s SER 49 Ca -0.03 1.46 0.27 0.00 1.31 0.00 0.00 55.95 58.96 2ida s SER 49 Cb 0.14 -2.43 1.31 0.00 0.21 0.00 0.00 66.02 65.25 2ida s SER 49 CO 0.66 0.11 1.78 -0.65 0.41 0.00 0.00 173.24 175.56 2ida h PRO 50 N 3.81 0.20 -0.93 12.44 0.11 -1.86 -0.48 132.00 145.28 2ida h PRO 50 Ca -0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2ida h PRO 50 Cb 1.20 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 2ida h PRO 50 CO 0.65 0.13 0.55 1.25 -0.21 0.00 0.00 178.00 180.37 2ida h HIS 51 N 0.21 1.24 -6.37 0.65 2.76 -1.91 -3.48 115.15 108.25 2ida h HIS 51 Ca 0.59 -0.01 -0.35 0.00 -2.20 0.00 0.00 60.37 58.40 2ida h HIS 51 Cb 1.87 -0.40 0.01 0.00 1.55 0.00 0.00 27.41 30.43 2ida h HIS 51 CO -0.00 0.83 -0.94 1.63 -1.30 0.00 0.00 177.93 178.15 2ida n LYS 52 N -4.35 -1.73 0.11 5.26 5.02 -0.19 -4.93 118.16 117.36 2ida n LYS 52 Ca 0.10 1.20 -0.20 0.00 -2.02 0.00 0.00 58.31 57.39 2ida n LYS 52 Cb 0.07 -2.97 -0.14 0.00 -0.02 0.00 0.00 35.03 31.98 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 0.81 0.81 -0.22 2.13 3.86 -1.79 -3.29 115.15 117.46 2ida h HIS 53 Ca -0.47 -0.56 -0.02 0.00 -1.16 0.00 0.00 60.37 58.15 2ida h HIS 53 Cb 1.32 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.73 2ida h HIS 53 CO 0.14 1.42 0.04 0.00 0.86 0.00 0.00 177.93 180.39 2ida h ALA 54 N 0.37 0.29 -0.27 2.45 0.00 -1.85 0.20 119.26 120.46 2ida h ALA 54 Ca -0.19 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 2ida h ALA 54 Cb 2.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 2ida h ALA 54 CO 0.24 -0.04 -0.05 1.79 0.00 0.00 0.00 179.25 181.19 2ida h THR 55 N 0.17 1.28 -0.38 0.00 1.35 -1.89 0.84 112.91 114.29 2ida h THR 55 Ca 0.07 -1.04 -0.10 0.00 -0.55 0.00 0.00 66.41 64.79 2ida h THR 55 Cb 0.30 1.40 -0.02 0.00 -1.73 0.00 0.00 68.15 68.11 2ida h THR 55 CO 0.00 0.33 -0.18 0.03 -0.25 0.00 0.00 175.52 175.45 2ida h ARG 56 N 0.27 0.72 -0.55 4.72 3.08 -1.60 0.16 114.38 121.18 2ida h ARG 56 Ca 0.07 -0.26 -0.10 0.00 0.07 0.00 0.00 59.98 59.76 2ida h ARG 56 Cb 0.51 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 2ida h ARG 56 CO 0.02 0.85 -0.06 1.25 -1.07 0.00 0.00 179.97 180.96 2ida h HIS 57 N 0.64 1.12 -0.78 3.04 2.76 -0.52 -1.69 115.15 119.71 2ida h HIS 57 Ca 0.10 -0.22 -0.02 0.00 -2.20 0.00 0.00 60.37 58.04 2ida h HIS 57 Cb 0.66 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 29.30 2ida h HIS 57 CO 0.03 1.02 0.42 0.35 -1.30 0.00 0.00 177.93 178.46 2ida h PHE 58 N 0.89 1.08 -0.14 5.26 3.57 -0.32 0.14 116.94 127.42 2ida h PHE 58 Ca 0.15 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 2ida h PHE 58 Cb 0.62 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 2ida h PHE 58 CO 0.04 0.76 -0.17 1.25 -2.23 0.00 0.00 178.31 177.97 2ida h HIS 59 N 1.09 0.24 0.11 0.41 2.76 -0.43 0.19 115.15 119.52 2ida h HIS 59 Ca 0.28 -0.03 -0.28 0.00 -2.20 0.00 0.00 60.37 58.13 2ida h HIS 59 Cb 0.05 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 2ida h HIS 59 CO 0.00 0.39 -1.45 0.00 -1.30 0.00 0.00 177.93 175.58 2ida h ALA 60 N 1.62 0.20 0.00 5.26 0.00 -0.84 -3.41 119.26 122.08 2ida h ALA 60 Ca 0.04 -1.11 -0.30 0.00 0.00 0.00 0.00 54.91 53.54 2ida h ALA 60 Cb 0.43 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 2ida h ALA 60 CO 0.03 0.85 -2.28 0.25 0.00 0.00 0.00 179.25 178.10 2ida n THR 61 N -3.91 1.14 -2.26 0.00 -2.24 0.44 -5.01 114.28 102.44 2ida n THR 61 Ca -0.26 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 2ida n THR 61 Cb 0.90 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 1.65 0.80 3.14 3.38 0.00 0.65 -5.04 105.19 109.77 2ida n GLY 62 Ca -0.27 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.95 3.50 -0.53 1.61 3.76 -1.25 -4.95 115.29 114.47 2ida s HIS 63 Ca 0.00 -2.39 0.25 0.00 -0.15 0.00 0.00 55.06 52.77 2ida s HIS 63 Cb 0.00 -3.31 0.59 0.00 1.11 0.00 0.00 32.58 30.97 2ida s HIS 63 CO 0.00 -0.93 1.70 -1.00 -0.85 0.00 0.00 174.74 173.66 2ida h PRO 64 N 7.74 0.00 -4.95 8.40 0.13 -1.93 -3.43 132.00 137.96 2ida h PRO 64 Ca -0.09 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.40 2ida h PRO 64 Cb 1.02 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.95 2ida h PRO 64 CO 0.74 0.00 -0.57 0.42 -0.23 0.00 0.00 178.00 178.36 2ida s ILE 65 N -3.19 4.82 -0.08 -3.56 1.01 -1.25 0.05 121.20 118.99 2ida s ILE 65 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.77 2ida s ILE 65 Cb 0.08 -3.27 -0.00 0.00 0.01 0.00 0.00 42.46 39.28 2ida s ILE 65 CO 0.63 0.31 -0.22 0.27 0.00 0.00 0.00 174.94 175.92 2ida s ILE 66 N 1.59 1.89 0.01 2.92 -4.36 0.77 -3.29 121.20 120.73 2ida s ILE 66 Ca 0.06 -0.94 -0.02 0.00 -0.26 0.00 0.00 60.65 59.50 2ida s ILE 66 Cb -0.15 -1.63 -0.04 0.00 1.25 0.00 0.00 42.46 41.89 2ida s ILE 66 CO 0.07 0.52 0.16 -0.70 0.24 0.00 0.00 174.94 175.24 2ida s GLU 67 N 0.23 3.35 -0.52 0.37 2.12 0.21 0.20 118.70 124.65 2ida s GLU 67 Ca -0.13 -0.39 -0.27 0.00 0.36 0.00 0.00 54.97 54.54 2ida s GLU 67 Cb -0.16 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 2ida s GLU 67 CO 0.06 0.65 2.10 0.20 -0.54 0.00 0.00 175.26 177.74 2ida s GLY 68 N -2.03 -0.01 -0.16 -1.50 0.00 -0.31 -1.40 107.32 101.91 2ida s GLY 68 Ca 0.28 -0.24 -0.12 0.00 0.00 0.00 0.00 44.72 44.64 2ida s GLY 68 CO 0.20 3.73 -0.12 2.98 0.00 0.00 0.00 173.10 179.89 2ida n TYR 69 N 13.86 0.86 -0.03 1.90 9.36 -1.01 -4.51 117.16 137.59 2ida n TYR 69 Ca 0.28 0.37 -0.13 0.00 3.32 0.00 0.00 57.90 61.74 2ida n TYR 69 Cb 0.53 -0.83 -0.10 0.00 -0.63 0.00 0.00 39.34 38.30 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 -1.00 0.03 -2.88 2.98 3.58 -1.80 -3.34 116.42 114.00 2ida h ASP 70 Ca -0.09 -0.61 -0.57 0.00 0.42 0.00 0.00 57.03 56.19 2ida h ASP 70 Cb 0.73 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.74 2ida h ASP 70 CO -0.05 0.63 1.14 -2.84 -2.88 0.00 0.00 179.24 175.24 2ida s PRO 71 N -3.79 3.65 -1.18 0.28 0.02 -1.26 -4.92 135.00 127.81 2ida s PRO 71 Ca -0.16 1.43 -0.20 0.00 0.02 0.00 0.00 61.00 62.08 2ida s PRO 71 Cb 0.01 -4.06 -0.04 0.00 0.02 0.00 0.00 34.50 30.43 2ida s PRO 71 CO 0.69 -1.47 1.91 -2.30 -0.33 0.00 0.00 177.00 175.50 2ida n PRO 72 N 7.89 2.22 0.06 5.54 -0.02 -1.26 -4.32 135.00 145.11 2ida n PRO 72 Ca 0.19 -2.61 0.00 0.00 -2.02 0.00 0.00 63.50 59.06 2ida n PRO 72 Cb 0.46 -3.45 0.00 0.00 -0.02 0.00 0.00 33.50 30.49 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 7.80 0.00 0.00 -0.52 1.02 -1.26 -5.13 120.64 122.55 2ida n GLU 73 Ca 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 2ida n GLU 73 Cb 0.44 -0.28 0.00 0.00 -0.02 0.00 0.00 31.44 31.58 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 3.00 0.76 3.24 0.62 0.00 -1.26 -4.58 105.19 106.97 2ida n GLY 74 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.45 -0.04 -0.13 1.61 1.48 -1.26 -1.32 118.94 118.82 2ida s TRP 75 Ca 0.00 -0.19 0.02 0.00 -1.06 0.00 0.00 56.10 54.87 2ida s TRP 75 Cb 0.00 0.06 0.01 0.00 -1.16 0.00 0.00 33.47 32.38 2ida s TRP 75 CO 0.00 -0.52 -0.18 0.20 -4.06 0.00 0.00 176.95 172.39 2ida s GLY 76 N -2.31 1.20 -0.13 3.67 0.00 0.60 -1.16 107.32 109.18 2ida s GLY 76 Ca -0.02 -0.92 -0.08 0.00 0.00 0.00 0.00 44.72 43.70 2ida s GLY 76 CO -0.06 0.15 0.15 0.86 0.00 0.00 0.00 173.10 174.20 2ida s TRP 77 N 0.97 3.56 -0.30 1.90 -0.11 0.13 -1.00 118.94 124.09 2ida s TRP 77 Ca -0.05 0.50 0.02 0.00 1.22 0.00 0.00 56.10 57.79 2ida s TRP 77 Cb -0.15 -2.01 0.07 0.00 -1.50 0.00 0.00 33.47 29.89 2ida s TRP 77 CO -0.03 0.63 -0.03 0.00 -4.62 0.00 0.00 176.95 172.90 2ida h TYR 79 N 7.78 -0.55 0.00 0.00 0.05 -0.71 0.96 116.97 124.51 2ida h TYR 79 Ca -0.15 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.68 2ida h TYR 79 Cb 1.04 0.29 0.00 0.00 1.01 0.00 0.00 36.73 39.07 2ida h TYR 79 CO 0.58 -0.29 0.00 -0.39 -1.05 0.00 0.00 178.16 177.01 2ida h VAL 80 N -0.17 0.00 0.00 -2.88 -1.51 -1.96 -2.79 116.25 106.94 2ida h VAL 80 Ca 0.17 -0.23 -0.33 0.00 -1.23 0.00 0.00 66.70 65.08 2ida h VAL 80 Cb 0.43 1.21 -0.06 0.00 -2.13 0.00 0.00 31.29 30.74 2ida h VAL 80 CO -0.44 0.00 -2.25 0.47 -1.23 0.00 0.00 177.57 174.12 2ida n ASP 81 N -3.04 0.87 -1.81 4.19 9.92 -0.28 -4.99 116.55 121.41 2ida n ASP 81 Ca -0.01 -0.02 -0.17 0.00 -0.53 0.00 0.00 54.79 54.06 2ida n ASP 81 Cb 0.18 0.71 -0.02 0.00 -0.64 0.00 0.00 41.12 41.34 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 -2.76 -1.32 -4.32 -1.24 1.02 0.32 -5.01 120.64 107.34 2ida n GLU 82 Ca -0.31 0.87 -0.26 0.00 -0.02 0.00 0.00 57.16 57.44 2ida n GLU 82 Cb 1.06 -5.27 -0.09 0.00 -0.02 0.00 0.00 31.44 27.11 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 -2.80 3.10 -0.15 2.62 -7.23 -1.24 -4.96 120.40 109.74 2ida s VAL 83 Ca 0.00 -1.78 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 2ida s VAL 83 Cb 0.00 -2.55 0.01 0.00 0.56 0.00 0.00 36.38 34.40 2ida s VAL 83 CO 0.00 -0.17 -0.20 -0.32 -0.31 0.00 0.00 175.10 174.11 2ida s MET 84 N -2.97 2.85 0.30 4.82 1.75 -1.26 -1.83 119.30 122.95 2ida s MET 84 Ca 0.26 -0.79 0.09 0.00 -1.25 0.00 0.00 55.69 54.00 2ida s MET 84 Cb -0.08 -2.38 -0.04 0.00 2.84 0.00 0.00 34.83 35.17 2ida s MET 84 CO 0.15 -0.10 0.06 -0.59 -0.65 0.00 0.00 175.02 173.90 2ida s PHE 85 N 1.04 2.70 0.06 4.11 -0.71 -0.17 0.13 117.98 125.13 2ida s PHE 85 Ca -0.02 -0.31 -0.28 0.00 -1.04 0.00 0.00 56.93 55.28 2ida s PHE 85 Cb -0.14 -1.41 -0.05 0.00 -1.21 0.00 0.00 43.02 40.20 2ida s PHE 85 CO -0.06 0.49 0.89 0.34 -1.34 0.00 0.00 175.22 175.54 2ida s ASP 86 N -3.75 7.35 -0.03 1.98 2.15 -1.24 -0.29 116.67 122.83 2ida s ASP 86 Ca 0.34 1.62 0.09 0.00 0.43 0.00 0.00 52.55 55.03 2ida s ASP 86 Cb -0.04 -2.54 0.15 0.00 -0.30 0.00 0.00 42.92 40.19 2ida s ASP 86 CO 0.21 -0.08 1.07 0.18 -0.17 0.00 0.00 175.17 176.37 2ida n LEU 87 N 3.08 0.72 -0.01 -1.34 4.77 -0.45 -4.81 117.00 118.96 2ida n LEU 87 Ca 0.01 -1.68 0.10 0.00 -0.03 0.00 0.00 56.01 54.41 2ida n LEU 87 Cb 0.50 -0.10 0.51 0.00 -2.33 0.00 0.00 43.42 42.00 2ida n LEU 87 CO 0.50 0.43 1.17 -1.28 -1.33 0.00 0.00 177.39 176.88 2ida h SER 88 N 0.24 0.33 -0.09 -1.43 0.87 -1.45 0.45 113.55 112.47 2ida h SER 88 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2ida h SER 88 Cb 1.41 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2ida h SER 88 CO 0.02 0.21 0.00 0.47 -0.53 0.00 0.00 176.83 177.00 2ida n ASP 89 N -4.47 2.25 0.00 6.23 9.92 -1.26 -4.00 116.55 125.22 2ida n ASP 89 Ca 0.06 -1.75 0.00 0.00 -0.53 0.00 0.00 54.79 52.57 2ida n ASP 89 Cb 0.27 -0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.70 2ida n ASP 89 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2ida n ARG 90 N 0.74 0.52 -1.74 -1.24 1.74 -0.11 -5.11 116.66 111.44 2ida n ARG 90 Ca 0.17 -0.59 -0.34 0.00 -0.77 0.00 0.00 57.85 56.32 2ida n ARG 90 Cb 0.46 -0.64 0.05 0.00 -1.02 0.00 0.00 32.46 31.31 2ida n ARG 90 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ida s MET 91 N -0.20 2.68 -0.57 5.56 0.23 0.14 -4.84 119.30 122.29 2ida s MET 91 Ca 0.00 1.57 -0.21 0.00 -1.03 0.00 0.00 55.69 56.03 2ida s MET 91 Cb 0.00 -1.92 0.07 0.00 -1.53 0.00 0.00 34.83 31.45 2ida s MET 91 CO 0.00 -1.38 0.77 0.99 -2.03 0.00 0.00 175.02 173.37 2ida s THR 92 N -2.09 4.66 0.71 3.16 2.01 -1.26 -5.06 115.64 117.77 2ida s THR 92 Ca 0.71 -0.49 -0.13 0.00 0.31 0.00 0.00 61.69 62.10 2ida s THR 92 Cb -0.24 -4.48 0.02 0.00 0.01 0.00 0.00 72.50 67.81 2ida s THR 92 CO 0.40 -1.09 1.09 -2.84 -0.69 0.00 0.00 174.62 171.49 2ida s PRO 93 N 3.17 2.64 -0.01 4.92 0.02 -1.26 -4.64 135.00 139.84 2ida s PRO 93 Ca 0.18 1.22 -0.37 0.00 0.02 0.00 0.00 61.00 62.04 2ida s PRO 93 Cb -0.19 -1.94 -0.16 0.00 0.02 0.00 0.00 34.50 32.23 2ida s PRO 93 CO 0.11 -1.35 1.50 -2.39 -0.33 0.00 0.00 177.00 174.54 2ida n HIS 94 N -2.95 1.79 -0.07 6.54 1.44 -1.25 -4.86 115.22 115.86 2ida n HIS 94 Ca 0.09 0.53 -0.01 0.00 -2.01 0.00 0.00 57.72 56.32 2ida n HIS 94 Cb 0.53 -2.41 0.25 0.00 0.12 0.00 0.00 29.99 28.48 2ida n HIS 94 CO 0.00 0.00 0.00 -0.97 -2.81 0.00 0.00 176.34 172.56 2ida h ASN 95 N 5.67 0.63 0.00 4.39 -1.24 -1.83 -3.47 115.58 119.74 2ida h ASN 95 Ca -0.47 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 56.43 2ida h ASN 95 Cb 1.32 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.20 2ida h ASN 95 CO 0.85 0.64 0.00 0.61 -1.29 0.00 0.00 177.43 178.24 2ida n GLY 96 N -0.93 3.76 3.75 1.57 0.00 -1.26 -5.04 105.19 107.03 2ida n GLY 96 Ca 0.03 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 2ida n GLY 96 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2ida s PRO 97 N 1.63 4.50 -0.10 1.61 0.02 -1.26 -5.03 135.00 136.37 2ida s PRO 97 Ca 0.00 1.92 0.01 0.00 0.02 0.00 0.00 61.00 62.95 2ida s PRO 97 Cb 0.00 -3.20 0.02 0.00 0.02 0.00 0.00 34.50 31.34 2ida s PRO 97 CO 0.00 -0.04 -0.11 0.42 -0.33 0.00 0.00 177.00 176.94 2ida s ILE 98 N -0.45 1.18 -0.37 2.83 1.01 -1.26 -4.74 121.20 119.39 2ida s ILE 98 Ca 0.51 -0.43 -0.28 0.00 0.00 0.00 0.00 60.65 60.45 2ida s ILE 98 Cb -0.34 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 2ida s ILE 98 CO 0.40 0.38 2.00 -2.84 0.00 0.00 0.00 174.94 174.88 2ida s PRO 99 N 1.21 2.98 -0.40 2.79 0.02 -1.26 -4.95 135.00 135.39 2ida s PRO 99 Ca -0.04 1.43 -0.24 0.00 0.02 0.00 0.00 61.00 62.18 2ida s PRO 99 Cb -0.14 -4.33 0.02 0.00 0.02 0.00 0.00 34.50 30.07 2ida s PRO 99 CO -0.03 -2.28 0.83 0.50 -0.33 0.00 0.00 177.00 175.70 2ida s ARG 100 N 6.45 3.66 -0.16 5.54 6.06 -1.26 -4.93 118.95 134.30 2ida s ARG 100 Ca 0.85 0.25 -0.19 0.00 -2.50 0.00 0.00 55.73 54.14 2ida s ARG 100 Cb -0.23 -3.86 -0.16 0.00 0.06 0.00 0.00 34.95 30.77 2ida s ARG 100 CO 0.31 -0.99 0.28 1.88 -2.50 0.00 0.00 175.30 174.28 2ida h TYR 101 N 8.69 0.00 0.00 5.12 0.05 -1.81 -3.53 116.97 125.49 2ida h TYR 101 Ca -0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.54 2ida h TYR 101 Cb 1.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.83 2ida h TYR 101 CO 0.82 0.92 0.00 1.33 -1.05 0.00 0.00 178.16 180.18