#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 0.00 0.20 1.12 -1.32 -1.26 -5.00 115.64 109.38 2ida s THR 2 Ca 0.00 -0.66 0.04 0.00 -1.21 0.00 0.00 61.69 59.86 2ida s THR 2 Cb 0.00 -2.50 -0.09 0.00 -1.51 0.00 0.00 72.50 68.40 2ida s THR 2 CO 0.00 0.00 1.48 -0.03 -2.21 0.00 0.00 174.62 173.86 2ida h MET 3 N 2.00 0.20 0.00 7.08 4.05 -2.00 -3.42 114.93 122.84 2ida h MET 3 Ca -0.26 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 58.99 2ida h MET 3 Cb 1.23 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.06 2ida h MET 3 CO 0.32 0.84 0.00 0.41 0.23 0.00 0.00 176.91 178.71 2ida n GLY 4 N 0.56 1.17 0.00 1.39 0.00 -1.26 -4.91 105.19 102.13 2ida n GLY 4 Ca -0.03 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 0.00 0.00 0.00 0.11 -2.02 -2.10 114.38 110.37 2ida h ARG 6 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 2ida h ARG 6 Cb 0.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 2ida h ARG 6 CO 0.00 0.00 -0.14 0.45 0.10 0.00 0.00 179.97 180.38 2ida h HIS 7 N 0.00 0.00 -0.01 4.08 3.86 -1.97 -1.88 115.15 119.23 2ida h HIS 7 Ca 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 2ida h HIS 7 Cb 0.42 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 2ida h HIS 7 CO 0.00 0.14 -0.40 0.28 0.86 0.00 0.00 177.93 178.82 2ida h VAL 8 N 0.00 1.29 0.00 2.45 2.07 -1.73 -1.71 116.25 118.62 2ida h VAL 8 Ca -0.00 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.15 2ida h VAL 8 Cb 0.34 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2ida h VAL 8 CO 0.02 0.39 0.00 0.00 0.02 0.00 0.00 177.57 178.00 2ida n ALA 9 N -2.46 2.05 -0.02 1.67 0.00 -0.71 -3.17 120.51 117.86 2ida n ALA 9 Ca -0.02 0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2ida n ALA 9 Cb 0.43 -1.44 -0.13 0.00 0.00 0.00 0.00 19.45 18.31 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 0.82 -1.06 3.81 0.00 0.00 -0.68 -4.94 105.19 103.14 2ida n GLY 10 Ca 0.04 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.71 3.96 0.02 -0.61 -4.36 -0.99 -5.06 121.20 111.45 2ida s ILE 11 Ca -0.05 1.14 0.00 0.00 -0.26 0.00 0.00 60.65 61.48 2ida s ILE 11 Cb 0.08 -3.49 -0.00 0.00 1.25 0.00 0.00 42.46 40.30 2ida s ILE 11 CO 0.82 -0.35 0.01 -2.11 0.24 0.00 0.00 174.94 173.56 2ida n ARG 12 N -1.17 0.60 -2.57 0.37 0.00 -1.23 -5.00 116.66 107.67 2ida n ARG 12 Ca 0.09 -0.15 -0.42 0.00 -0.00 0.00 0.00 57.85 57.36 2ida n ARG 12 Cb 0.53 0.10 -0.03 0.00 -0.00 0.00 0.00 32.46 33.06 2ida n ARG 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2ida s THR 13 N -1.76 4.50 0.15 8.89 2.01 -1.26 -4.84 115.64 123.32 2ida s THR 13 Ca 0.01 1.80 0.10 0.00 0.31 0.00 0.00 61.69 63.92 2ida s THR 13 Cb 0.00 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2ida s THR 13 CO 0.01 -0.00 -0.24 0.68 -0.69 0.00 0.00 174.62 174.37 2ida s VAL 14 N 2.14 2.16 -0.17 3.82 -7.23 -1.26 -5.05 120.40 114.80 2ida s VAL 14 Ca 0.52 -1.82 -0.17 0.00 -1.81 0.00 0.00 61.98 58.71 2ida s VAL 14 Cb -0.22 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 2ida s VAL 14 CO 0.20 -0.03 0.44 -0.89 -0.31 0.00 0.00 175.10 174.51 2ida s THR 15 N -1.34 5.18 0.21 5.32 2.01 -1.26 -4.86 115.64 120.91 2ida s THR 15 Ca 0.15 0.82 -0.32 0.00 0.31 0.00 0.00 61.69 62.64 2ida s THR 15 Cb -0.09 -3.77 -0.12 0.00 0.01 0.00 0.00 72.50 68.53 2ida s THR 15 CO 0.07 0.27 1.67 -2.65 -0.69 0.00 0.00 174.62 173.29 2ida n PRO 16 N 4.24 2.64 -0.09 4.92 -0.02 -1.25 -4.34 135.00 141.10 2ida n PRO 16 Ca -0.07 0.95 -0.09 0.00 -2.02 0.00 0.00 63.50 62.27 2ida n PRO 16 Cb 0.51 -2.77 0.07 0.00 -0.02 0.00 0.00 33.50 31.29 2ida n PRO 16 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2ida h SER 17 N 6.25 0.82 -5.49 2.55 0.87 -1.22 -3.47 113.55 113.87 2ida h SER 17 Ca -0.44 -0.31 -0.21 0.00 -1.23 0.00 0.00 61.79 59.59 2ida h SER 17 Cb 1.22 -0.23 -0.11 0.00 -0.44 0.00 0.00 62.40 62.84 2ida h SER 17 CO 0.92 1.04 -0.34 0.00 -0.53 0.00 0.00 176.83 177.91 2ida s ALA 18 N -4.56 0.69 0.04 6.23 0.00 -1.26 -5.06 121.76 117.84 2ida s ALA 18 Ca -0.10 -1.43 -0.25 0.00 0.00 0.00 0.00 51.96 50.19 2ida s ALA 18 Cb 0.13 1.24 -0.17 0.00 0.00 0.00 0.00 23.12 24.31 2ida s ALA 18 CO 0.84 -0.73 1.54 -0.07 0.00 0.00 0.00 175.76 177.34 2ida h LEU 19 N 2.33 -0.06 0.00 0.00 3.38 -1.92 -3.47 115.31 115.57 2ida h LEU 19 Ca -0.30 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2ida h LEU 19 Cb 1.25 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2ida h LEU 19 CO 0.42 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.71 2ida n GLY 20 N -0.60 6.30 3.61 0.83 0.00 -1.26 -4.81 105.19 109.27 2ida n GLY 20 Ca -0.08 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 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 12.14 0.00 0.07 0.00 3.07 -1.96 -0.31 114.58 127.59 2ida h GLU 22 Ca -0.35 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.53 2ida h GLU 22 Cb 1.17 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.05 2ida h GLU 22 CO 1.01 0.10 -0.20 1.49 -1.40 0.00 0.00 179.01 180.01 2ida h GLU 23 N 0.00 -0.35 -0.37 2.33 4.57 -1.88 -0.81 114.58 118.07 2ida h GLU 23 Ca -0.00 0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.11 2ida h GLU 23 Cb 0.17 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 2ida h GLU 23 CO 0.01 -0.23 -0.15 0.00 -1.18 0.00 0.00 179.01 177.46 2ida h LEU 25 N 0.61 0.00 -1.48 0.00 3.38 -0.54 0.30 115.31 117.58 2ida h LEU 25 Ca 0.10 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2ida h LEU 25 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2ida h LEU 25 CO 0.04 0.00 -0.22 0.07 0.09 0.00 0.00 178.44 178.42 2ida h LYS 26 N 0.00 0.00 0.00 1.13 2.10 -0.80 -3.24 116.57 115.76 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 0.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 2ida h LYS 26 CO 0.00 0.22 -0.13 0.44 -2.00 0.00 0.00 179.45 177.98 2ida n ILE 27 N -3.64 0.00 -0.89 0.07 -5.35 -0.84 -5.01 119.36 103.71 2ida n ILE 27 Ca -0.01 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 2ida n ILE 27 Cb 0.35 0.90 0.00 0.00 -1.74 0.00 0.00 39.64 39.15 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 0.98 0.98 3.85 3.28 0.00 0.68 -5.07 105.19 109.89 2ida n GLY 28 Ca 0.00 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.53 6.77 1.04 1.61 0.15 0.74 -4.96 113.70 116.51 2ida s SER 29 Ca 0.00 1.35 -0.05 0.00 0.70 0.00 0.00 55.95 57.95 2ida s SER 29 Cb 0.00 -2.40 0.07 0.00 -1.71 0.00 0.00 66.02 61.98 2ida s SER 29 CO 0.00 -0.27 0.30 -2.65 1.20 0.00 0.00 173.24 171.81 2ida n PRO 30 N -0.58 -1.09 -3.87 5.44 -0.02 -1.26 -4.44 135.00 129.17 2ida n PRO 30 Ca 0.04 -0.47 -0.11 0.00 -2.02 0.00 0.00 63.50 60.95 2ida n PRO 30 Cb 0.53 -0.39 0.01 0.00 -0.02 0.00 0.00 33.50 33.64 2ida n PRO 30 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2ida s TRP 31 N -1.59 0.39 0.00 6.00 -2.14 -1.26 -4.86 118.94 115.48 2ida s TRP 31 Ca 0.18 -0.98 0.00 0.00 2.66 0.00 0.00 56.10 57.96 2ida s TRP 31 Cb -0.01 0.63 0.00 0.00 -3.10 0.00 0.00 33.47 30.99 2ida s TRP 31 CO 0.14 -1.51 0.00 0.28 -2.66 0.00 0.00 176.95 173.19 2ida n VAL 32 N -0.55 0.00 -3.85 -0.66 0.31 -1.26 -4.61 118.33 107.70 2ida n VAL 32 Ca -0.07 0.20 -0.16 0.00 -0.01 0.00 0.00 64.34 64.31 2ida n VAL 32 Cb 0.60 -1.14 -0.16 0.00 -0.91 0.00 0.00 33.84 32.23 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 -0.60 0.18 0.10 3.52 0.09 -1.26 -4.63 115.29 112.69 2ida s HIS 33 Ca 0.00 0.06 -0.23 0.00 -0.00 0.00 0.00 55.06 54.89 2ida s HIS 33 Cb 0.00 -0.33 -0.07 0.00 -0.00 0.00 0.00 32.58 32.18 2ida s HIS 33 CO 0.00 -0.11 0.71 -0.51 -0.00 0.00 0.00 174.74 174.83 2ida s LEU 34 N 1.05 4.52 -0.13 0.89 1.43 -1.26 -1.88 118.68 123.30 2ida s LEU 34 Ca -0.09 1.46 -0.01 0.00 -1.03 0.00 0.00 54.13 54.45 2ida s LEU 34 Cb -0.13 -3.15 -0.02 0.00 0.03 0.00 0.00 46.19 42.92 2ida s LEU 34 CO -0.02 0.16 -0.11 -0.13 0.23 0.00 0.00 176.35 176.48 2ida s ARG 35 N -0.76 3.41 -0.20 1.70 1.81 0.14 -2.20 118.95 122.85 2ida s ARG 35 Ca 0.34 -0.64 -0.13 0.00 -1.72 0.00 0.00 55.73 53.59 2ida s ARG 35 Cb -0.21 -2.69 -0.05 0.00 -0.45 0.00 0.00 34.95 31.55 2ida s ARG 35 CO 0.23 0.25 0.26 -1.50 -0.68 0.00 0.00 175.30 173.86 2ida s ILE 36 N 0.27 5.31 -0.32 1.52 2.07 -0.05 -0.35 121.20 129.64 2ida s ILE 36 Ca -0.08 0.42 -0.29 0.00 -1.41 0.00 0.00 60.65 59.30 2ida s ILE 36 Cb -0.15 -3.59 0.00 0.00 0.13 0.00 0.00 42.46 38.85 2ida s ILE 36 CO 0.05 0.35 1.38 0.00 -1.91 0.00 0.00 174.94 174.80 2ida n ARG 38 N 7.59 0.60 -0.07 0.00 5.12 -0.89 -0.22 116.66 128.79 2ida n ARG 38 Ca 0.16 0.01 -0.09 0.00 -1.93 0.00 0.00 57.85 55.99 2ida n ARG 38 Cb 0.47 -1.50 -0.15 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 -1.01 1.45 -1.25 0.55 -1.04 -1.26 -3.50 114.28 108.21 2ida n THR 39 Ca 0.15 -0.84 0.00 0.00 -2.04 0.00 0.00 64.05 61.32 2ida n THR 39 Cb 0.07 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 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 0.00 0.98 3.79 0.00 0.00 0.69 -4.76 105.19 105.90 2ida n GLY 41 Ca 0.00 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.34 3.75 -0.11 1.61 5.65 -1.25 -0.67 115.29 121.93 2ida s HIS 42 Ca 0.00 1.19 -0.19 0.00 0.25 0.00 0.00 55.06 56.31 2ida s HIS 42 Cb 0.00 -2.51 -0.04 0.00 -1.18 0.00 0.00 32.58 28.85 2ida s HIS 42 CO 0.00 0.50 0.52 0.08 -0.65 0.00 0.00 174.74 175.20 2ida s VAL 43 N -0.74 5.16 -0.04 0.89 1.01 -1.26 -1.14 120.40 124.28 2ida s VAL 43 Ca 0.29 1.06 -0.01 0.00 0.00 0.00 0.00 61.98 63.32 2ida s VAL 43 Cb -0.19 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.36 2ida s VAL 43 CO 0.17 0.31 0.02 -0.83 0.00 0.00 0.00 175.10 174.77 2ida s GLY 44 N 0.67 0.25 0.35 4.51 0.00 0.52 -4.29 107.32 109.33 2ida s GLY 44 Ca 0.28 0.14 -0.27 0.00 0.00 0.00 0.00 44.72 44.87 2ida s GLY 44 CO 0.12 0.95 1.14 0.00 0.00 0.00 0.00 173.10 175.31 2ida n ASP 47 N -4.59 0.49 0.12 0.00 5.75 -1.26 -1.22 116.55 115.83 2ida n ASP 47 Ca 0.07 0.68 0.03 0.00 -0.01 0.00 0.00 54.79 55.56 2ida n ASP 47 Cb 0.53 -0.76 0.40 0.00 -1.03 0.00 0.00 41.12 40.26 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 0.23 -3.53 -1.12 3.58 -1.96 -3.42 116.42 110.19 2ida h ASP 48 Ca 0.00 -0.04 -0.53 0.00 0.42 0.00 0.00 57.03 56.88 2ida h ASP 48 Cb 0.13 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.09 2ida h ASP 48 CO 0.00 0.37 0.10 -0.44 -2.88 0.00 0.00 179.24 176.39 2ida s SER 49 N -6.88 7.09 0.46 2.28 0.01 -0.35 -4.97 113.70 111.35 2ida s SER 49 Ca -0.05 1.42 0.21 0.00 1.31 0.00 0.00 55.95 58.84 2ida s SER 49 Cb 0.15 -2.42 1.21 0.00 0.21 0.00 0.00 66.02 65.17 2ida s SER 49 CO 0.73 0.08 1.90 1.55 0.41 0.00 0.00 173.24 177.91 2ida h PRO 50 N 3.63 0.25 -0.38 12.44 0.13 -1.85 0.25 132.00 146.47 2ida h PRO 50 Ca -0.48 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 2ida h PRO 50 Cb 1.20 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2ida h PRO 50 CO 0.65 0.16 -0.04 0.45 -0.23 0.00 0.00 178.00 178.99 2ida h HIS 51 N 0.26 0.66 -6.47 1.56 3.86 -1.92 -3.47 115.15 109.63 2ida h HIS 51 Ca 0.39 -0.09 -0.49 0.00 -1.16 0.00 0.00 60.37 59.03 2ida h HIS 51 Cb 1.16 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.44 2ida h HIS 51 CO -0.00 0.66 -0.92 1.63 0.86 0.00 0.00 177.93 180.16 2ida n LYS 52 N -4.23 -2.35 0.15 2.45 5.02 0.07 -4.87 118.16 114.40 2ida n LYS 52 Ca 0.02 0.38 0.03 0.00 -2.02 0.00 0.00 58.31 56.72 2ida n LYS 52 Cb 0.29 -4.21 0.08 0.00 -0.02 0.00 0.00 35.03 31.17 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 -1.92 0.00 -0.27 2.13 2.76 -1.40 -2.03 115.15 114.43 2ida h HIS 53 Ca -0.65 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 57.46 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 0.43 0.46 -0.06 0.00 -1.30 0.00 0.00 177.93 177.47 2ida h ALA 54 N 1.54 0.36 -0.04 5.26 0.00 -1.04 -1.30 119.26 124.04 2ida h ALA 54 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2ida h ALA 54 Cb 1.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ida h ALA 54 CO 0.06 0.16 -0.09 1.79 0.00 0.00 0.00 179.25 181.18 2ida h THR 55 N 0.26 1.44 -0.72 0.00 1.35 -1.80 -2.47 112.91 110.98 2ida h THR 55 Ca 0.07 -1.44 -0.00 0.00 -0.55 0.00 0.00 66.41 64.49 2ida h THR 55 Cb 0.52 2.31 -0.04 0.00 -1.73 0.00 0.00 68.15 69.21 2ida h THR 55 CO 0.02 0.39 0.45 0.03 -0.25 0.00 0.00 175.52 176.16 2ida h ARG 56 N -0.41 0.97 -0.54 4.72 3.08 -1.44 -1.26 114.38 119.50 2ida h ARG 56 Ca 0.00 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 2ida h ARG 56 Cb 0.68 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 2ida h ARG 56 CO 0.02 0.67 0.04 1.25 -1.07 0.00 0.00 179.97 180.88 2ida h HIS 57 N 0.99 1.01 -0.56 3.04 2.76 -1.25 -1.23 115.15 119.91 2ida h HIS 57 Ca 0.26 -0.16 0.02 0.00 -2.20 0.00 0.00 60.37 58.29 2ida h HIS 57 Cb -0.06 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 28.60 2ida h HIS 57 CO 0.00 0.91 0.36 0.35 -1.30 0.00 0.00 177.93 178.25 2ida h PHE 58 N 0.81 0.67 -0.10 5.26 3.57 -0.86 0.94 116.94 127.24 2ida h PHE 58 Ca 0.16 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.58 2ida h PHE 58 Cb 0.48 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2ida h PHE 58 CO 0.04 0.40 -0.38 1.25 -2.23 0.00 0.00 178.31 177.39 2ida h HIS 59 N 0.72 0.23 0.07 0.41 2.76 -1.04 0.13 115.15 118.43 2ida h HIS 59 Ca 0.22 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2ida h HIS 59 Cb -0.03 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 28.87 2ida h HIS 59 CO -0.05 0.56 -0.04 0.00 -1.30 0.00 0.00 177.93 177.11 2ida h ALA 60 N 1.44 -0.10 0.00 5.26 0.00 -0.72 -3.38 119.26 121.76 2ida h ALA 60 Ca 0.02 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2ida h ALA 60 Cb 0.76 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2ida h ALA 60 CO 0.06 -0.10 -0.68 1.79 0.00 0.00 0.00 179.25 180.32 2ida h THR 61 N -1.01 0.41 -2.09 0.00 1.35 -0.91 -3.48 112.91 107.17 2ida h THR 61 Ca -0.01 -1.64 -0.05 0.00 -0.55 0.00 0.00 66.41 64.16 2ida h THR 61 Cb 0.22 2.06 0.02 0.00 -1.73 0.00 0.00 68.15 68.72 2ida h THR 61 CO 0.02 0.23 -0.10 0.61 -0.25 0.00 0.00 175.52 176.03 2ida n GLY 62 N 1.22 0.54 3.08 5.82 0.00 0.45 -5.04 105.19 111.26 2ida n GLY 62 Ca -0.00 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.05 3.67 -0.49 1.61 3.76 -1.18 -4.99 115.29 114.62 2ida s HIS 63 Ca 0.04 -2.66 0.25 0.00 -0.15 0.00 0.00 55.06 52.54 2ida s HIS 63 Cb -0.02 -3.10 0.55 0.00 1.11 0.00 0.00 32.58 31.12 2ida s HIS 63 CO 0.10 -0.96 1.68 -1.00 -0.85 0.00 0.00 174.74 173.71 2ida h PRO 64 N 7.87 0.00 -5.13 8.40 0.13 -1.93 -3.40 132.00 137.93 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 1.04 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.96 2ida h PRO 64 CO 0.62 0.00 -0.62 0.42 -0.23 0.00 0.00 178.00 178.19 2ida s ILE 65 N -3.21 4.29 0.24 -3.56 1.01 -1.26 0.15 121.20 118.85 2ida s ILE 65 Ca 0.08 -0.20 0.10 0.00 0.00 0.00 0.00 60.65 60.63 2ida s ILE 65 Cb 0.07 -2.95 -0.05 0.00 0.01 0.00 0.00 42.46 39.54 2ida s ILE 65 CO 0.63 0.41 -0.18 0.27 0.00 0.00 0.00 174.94 176.08 2ida s ILE 66 N 0.97 2.11 0.26 2.92 -4.36 -0.09 -2.10 121.20 120.92 2ida s ILE 66 Ca 0.03 -2.29 0.02 0.00 -0.26 0.00 0.00 60.65 58.15 2ida s ILE 66 Cb -0.14 -2.16 -0.05 0.00 1.25 0.00 0.00 42.46 41.36 2ida s ILE 66 CO 0.02 -0.48 0.06 -0.70 0.24 0.00 0.00 174.94 174.09 2ida s GLU 67 N -3.51 1.44 -0.68 0.37 -6.30 0.11 -0.53 118.70 109.60 2ida s GLU 67 Ca 0.26 -1.77 -0.26 0.00 -2.50 0.00 0.00 54.97 50.70 2ida s GLU 67 Cb -0.03 -0.50 0.04 0.00 0.00 0.00 0.00 34.13 33.64 2ida s GLU 67 CO 0.11 -0.21 1.16 0.20 0.02 0.00 0.00 175.26 176.53 2ida s GLY 68 N -3.35 1.08 -0.12 -1.50 0.00 -1.12 -0.87 107.32 101.44 2ida s GLY 68 Ca 0.35 -1.41 -0.08 0.00 0.00 0.00 0.00 44.72 43.58 2ida s GLY 68 CO 0.12 2.43 -0.16 2.98 0.00 0.00 0.00 173.10 178.47 2ida n TYR 69 N 8.67 0.61 0.09 1.90 9.36 -1.06 -4.40 117.16 132.32 2ida n TYR 69 Ca 0.02 0.26 -0.13 0.00 3.32 0.00 0.00 57.90 61.37 2ida n TYR 69 Cb 0.48 -0.61 -0.08 0.00 -0.63 0.00 0.00 39.34 38.49 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 -0.78 -0.17 -3.44 2.98 3.58 -1.77 -3.38 116.42 113.43 2ida h ASP 70 Ca 0.00 -0.19 -0.63 0.00 0.42 0.00 0.00 57.03 56.63 2ida h ASP 70 Cb 0.47 0.04 -0.13 0.00 1.72 0.00 0.00 39.33 41.43 2ida h ASP 70 CO 0.00 0.10 0.38 -2.16 -2.88 0.00 0.00 179.24 174.68 2ida s PRO 71 N -5.16 3.34 -1.06 0.28 0.05 -1.26 -4.98 135.00 126.22 2ida s PRO 71 Ca -0.15 -0.26 -0.24 0.00 0.05 0.00 0.00 61.00 60.41 2ida s PRO 71 Cb 0.03 -4.00 -0.07 0.00 0.05 0.00 0.00 34.50 30.51 2ida s PRO 71 CO 0.63 -1.25 1.95 -1.25 0.05 0.00 0.00 177.00 177.12 2ida s PRO 72 N 3.42 2.50 -0.05 0.56 0.04 -1.26 -4.48 135.00 135.73 2ida s PRO 72 Ca 0.28 -0.77 0.01 0.00 0.04 0.00 0.00 61.00 60.57 2ida s PRO 72 Cb -0.13 -5.16 -0.04 0.00 0.04 0.00 0.00 34.50 29.21 2ida s PRO 72 CO 0.20 -3.74 -0.03 0.39 0.04 0.00 0.00 177.00 173.86 2ida n GLU 73 N 8.53 0.95 -1.36 4.56 1.02 -1.26 -5.10 120.64 127.98 2ida n GLU 73 Ca 0.43 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 2ida n GLU 73 Cb 0.47 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 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 3.10 -0.41 3.47 0.62 0.00 -1.26 -4.59 105.19 106.13 2ida n GLY 74 Ca -0.09 -0.20 -0.16 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 -1.72 -0.59 -0.09 1.61 1.48 -1.26 -1.04 118.94 117.33 2ida s TRP 75 Ca 0.00 1.17 0.02 0.00 -1.06 0.00 0.00 56.10 56.23 2ida s TRP 75 Cb 0.00 0.30 -0.02 0.00 -1.16 0.00 0.00 33.47 32.59 2ida s TRP 75 CO 0.00 -0.47 -0.14 0.20 -4.06 0.00 0.00 176.95 172.48 2ida s GLY 76 N -0.68 1.53 -0.14 3.67 0.00 0.14 -2.79 107.32 109.04 2ida s GLY 76 Ca -0.08 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 43.71 2ida s GLY 76 CO 0.06 -0.44 -0.11 0.86 0.00 0.00 0.00 173.10 173.46 2ida s TRP 77 N -0.11 2.85 -0.35 1.90 -0.11 0.31 -1.56 118.94 121.86 2ida s TRP 77 Ca -0.02 -0.65 -0.05 0.00 1.22 0.00 0.00 56.10 56.60 2ida s TRP 77 Cb -0.14 -1.88 0.06 0.00 -1.50 0.00 0.00 33.47 30.01 2ida s TRP 77 CO 0.04 -0.24 0.12 0.00 -4.62 0.00 0.00 176.95 172.25 2ida h TYR 79 N 8.17 -0.78 0.00 0.00 0.05 -0.63 0.82 116.97 124.60 2ida h TYR 79 Ca -0.21 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.59 2ida h TYR 79 Cb 1.07 0.36 -0.00 0.00 1.01 0.00 0.00 36.73 39.17 2ida h TYR 79 CO 0.60 -0.37 -0.08 -0.39 -1.05 0.00 0.00 178.16 176.87 2ida h VAL 80 N -0.38 0.60 0.06 -2.88 -1.51 -1.95 -2.80 116.25 107.38 2ida h VAL 80 Ca 0.09 -0.33 -0.35 0.00 -1.23 0.00 0.00 66.70 64.88 2ida h VAL 80 Cb 0.51 1.21 -0.04 0.00 -2.13 0.00 0.00 31.29 30.84 2ida h VAL 80 CO -0.31 0.08 -2.05 0.47 -1.23 0.00 0.00 177.57 174.53 2ida n ASP 81 N -3.78 1.53 -1.39 4.19 9.92 -0.65 -4.97 116.55 121.40 2ida n ASP 81 Ca -0.02 0.18 -0.14 0.00 -0.53 0.00 0.00 54.79 54.28 2ida n ASP 81 Cb 0.18 -0.36 -0.03 0.00 -0.64 0.00 0.00 41.12 40.27 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 -3.24 -1.06 -4.02 -1.24 1.02 0.28 -5.01 120.64 107.36 2ida n GLU 82 Ca -0.30 0.82 -0.30 0.00 -0.02 0.00 0.00 57.16 57.35 2ida n GLU 82 Cb 1.05 -5.02 -0.06 0.00 -0.02 0.00 0.00 31.44 27.39 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 -2.63 4.76 -0.13 2.62 -7.23 -1.24 -4.97 120.40 111.58 2ida s VAL 83 Ca 0.00 -0.71 0.02 0.00 -1.81 0.00 0.00 61.98 59.48 2ida s VAL 83 Cb 0.00 -3.32 0.01 0.00 0.56 0.00 0.00 36.38 33.63 2ida s VAL 83 CO 0.00 0.10 -0.19 -0.32 -0.31 0.00 0.00 175.10 174.37 2ida s MET 84 N -2.53 2.75 0.07 4.82 1.75 -1.26 -2.62 119.30 122.28 2ida s MET 84 Ca 0.31 -0.75 0.06 0.00 -1.25 0.00 0.00 55.69 54.06 2ida s MET 84 Cb -0.12 -2.27 -0.03 0.00 2.84 0.00 0.00 34.83 35.25 2ida s MET 84 CO 0.24 -0.05 -0.17 -0.59 -0.65 0.00 0.00 175.02 173.80 2ida s PHE 85 N 0.93 1.45 0.10 4.11 -0.71 -0.60 -4.23 117.98 119.03 2ida s PHE 85 Ca -0.06 -0.42 -0.30 0.00 -1.04 0.00 0.00 56.93 55.11 2ida s PHE 85 Cb -0.15 -0.82 -0.06 0.00 -1.21 0.00 0.00 43.02 40.78 2ida s PHE 85 CO -0.03 0.11 1.14 -0.51 -1.34 0.00 0.00 175.22 174.59 2ida s ASP 86 N -1.66 7.17 -0.11 1.98 1.01 -1.26 0.27 116.67 124.07 2ida s ASP 86 Ca 0.02 2.02 0.14 0.00 0.71 0.00 0.00 52.55 55.44 2ida s ASP 86 Cb -0.10 -2.59 0.28 0.00 1.01 0.00 0.00 42.92 41.53 2ida s ASP 86 CO 0.03 -0.36 1.14 0.18 0.21 0.00 0.00 175.17 176.37 2ida n LEU 87 N 3.33 1.78 0.29 1.23 4.77 -0.20 -4.78 117.00 123.41 2ida n LEU 87 Ca 0.06 -2.72 0.14 0.00 -0.03 0.00 0.00 56.01 53.46 2ida n LEU 87 Cb 0.47 -0.31 0.85 0.00 -2.33 0.00 0.00 43.42 42.10 2ida n LEU 87 CO 0.55 0.77 1.10 0.28 -1.33 0.00 0.00 177.39 178.75 2ida h SER 88 N 0.39 0.00 1.79 -1.43 0.02 -1.37 0.59 113.55 113.56 2ida h SER 88 Ca -0.03 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2ida h SER 88 Cb 1.20 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 2ida h SER 88 CO 0.01 0.02 -0.21 -2.24 -1.14 0.00 0.00 176.83 173.27 2ida h ASP 89 N 0.00 0.00 0.00 3.07 2.03 -1.87 -3.30 116.42 116.35 2ida h ASP 89 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2ida h ASP 89 Cb 0.04 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.54 2ida h ASP 89 CO 0.00 0.09 -0.09 0.54 -1.03 0.00 0.00 179.24 178.75 2ida n ARG 90 N -3.07 1.33 -1.87 4.15 1.74 0.03 -5.09 116.66 113.88 2ida n ARG 90 Ca 0.03 -1.92 -0.34 0.00 -0.77 0.00 0.00 57.85 54.84 2ida n ARG 90 Cb 0.57 -1.15 0.04 0.00 -1.02 0.00 0.00 32.46 30.91 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 -1.77 2.85 -0.40 5.56 0.23 0.19 -4.93 119.30 121.03 2ida s MET 91 Ca 0.17 1.57 -0.07 0.00 -1.03 0.00 0.00 55.69 56.33 2ida s MET 91 Cb 0.15 -1.94 0.08 0.00 -1.53 0.00 0.00 34.83 31.59 2ida s MET 91 CO 0.02 -1.24 0.22 0.99 -2.03 0.00 0.00 175.02 172.97 2ida s THR 92 N -2.02 3.97 0.58 3.16 2.01 -1.26 -5.05 115.64 117.02 2ida s THR 92 Ca 0.71 -1.46 -0.19 0.00 0.31 0.00 0.00 61.69 61.07 2ida s THR 92 Cb -0.24 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 2ida s THR 92 CO 0.37 -0.47 1.20 -2.84 -0.69 0.00 0.00 174.62 172.19 2ida s PRO 93 N 1.37 3.05 0.26 4.92 0.02 -1.26 -4.70 135.00 138.65 2ida s PRO 93 Ca 0.03 1.80 -0.31 0.00 0.02 0.00 0.00 61.00 62.54 2ida s PRO 93 Cb -0.22 -1.95 -0.11 0.00 0.02 0.00 0.00 34.50 32.23 2ida s PRO 93 CO 0.01 -1.14 1.61 -3.38 -0.33 0.00 0.00 177.00 173.78 2ida s HIS 94 N -1.61 2.83 0.19 6.54 -3.43 -1.26 -4.91 115.29 113.64 2ida s HIS 94 Ca 0.77 0.68 -0.03 0.00 -0.80 0.00 0.00 55.06 55.67 2ida s HIS 94 Cb -0.29 -4.06 0.11 0.00 -1.43 0.00 0.00 32.58 26.91 2ida s HIS 94 CO 0.32 -3.70 1.51 -2.95 -2.00 0.00 0.00 174.74 167.92 2ida h ASN 95 N 5.49 0.62 -0.13 7.38 -1.07 -1.91 -3.48 115.58 122.48 2ida h ASN 95 Ca -0.46 -0.33 0.00 0.00 0.07 0.00 0.00 56.30 55.59 2ida h ASN 95 Cb 1.21 -0.18 0.00 0.00 -2.07 0.00 0.00 38.32 37.29 2ida h ASN 95 CO 0.84 1.04 0.00 0.61 0.07 0.00 0.00 177.43 179.99 2ida n GLY 96 N 0.25 4.49 3.61 9.14 0.00 -1.26 -5.10 105.19 116.31 2ida n GLY 96 Ca -0.03 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 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 0.77 3.55 -0.33 1.61 0.02 -1.26 -4.98 135.00 134.38 2ida s PRO 97 Ca 0.00 1.59 -0.07 0.00 0.02 0.00 0.00 61.00 62.54 2ida s PRO 97 Cb 0.00 -4.13 0.03 0.00 0.02 0.00 0.00 34.50 30.42 2ida s PRO 97 CO 0.00 -1.60 0.11 0.42 -0.33 0.00 0.00 177.00 175.60 2ida s ILE 98 N 6.14 3.89 -0.31 2.83 1.01 -1.26 -4.83 121.20 128.67 2ida s ILE 98 Ca 0.77 -0.99 -0.28 0.00 0.00 0.00 0.00 60.65 60.15 2ida s ILE 98 Cb -0.25 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 2ida s ILE 98 CO 0.32 -0.11 1.97 -2.84 0.00 0.00 0.00 174.94 174.28 2ida s PRO 99 N 1.44 3.18 -0.44 2.79 0.02 -1.26 -4.93 135.00 135.81 2ida s PRO 99 Ca -0.00 1.60 -0.29 0.00 0.02 0.00 0.00 61.00 62.33 2ida s PRO 99 Cb -0.19 -4.28 0.01 0.00 0.02 0.00 0.00 34.50 30.06 2ida s PRO 99 CO 0.03 -2.04 1.43 0.50 -0.33 0.00 0.00 177.00 176.59 2ida s ARG 100 N 6.06 3.51 0.08 5.54 6.06 -1.26 -4.86 118.95 134.08 2ida s ARG 100 Ca 0.87 0.87 -0.01 0.00 -2.50 0.00 0.00 55.73 54.97 2ida s ARG 100 Cb -0.25 -4.05 -0.26 0.00 0.06 0.00 0.00 34.95 30.44 2ida s ARG 100 CO 0.33 -1.65 1.13 1.88 -2.50 0.00 0.00 175.30 174.49 2ida h TYR 101 N 10.91 0.34 0.00 5.12 0.05 -1.85 -3.53 116.97 128.00 2ida h TYR 101 Ca -0.28 -0.25 0.00 0.00 0.05 0.00 0.00 58.73 58.26 2ida h TYR 101 Cb 1.11 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.83 2ida h TYR 101 CO 0.98 1.21 0.00 1.33 -1.05 0.00 0.00 178.16 180.63