#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nr2 h GLU 9 N 0.00 0.66 -5.65 5.56 4.81 -2.02 -3.46 114.58 114.48 1nr2 h GLU 9 Ca 0.00 -0.32 -0.57 0.00 -0.13 0.00 0.00 59.36 58.34 1nr2 h GLU 9 Cb 0.00 -0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.24 1nr2 h GLU 9 CO 0.00 0.92 -0.65 0.00 -0.73 0.00 0.00 179.01 178.56 1nr2 h LEU 12 N 7.80 0.00 -6.05 0.00 3.38 -2.00 -3.43 115.31 115.00 1nr2 h LEU 12 Ca -0.08 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1nr2 h LEU 12 Cb 1.02 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.55 1nr2 h LEU 12 CO 0.50 0.01 -0.39 -0.70 0.09 0.00 0.00 178.44 177.95 1nr2 s GLU 13 N -3.16 0.54 0.50 1.13 2.12 -1.26 -5.13 118.70 113.44 1nr2 s GLU 13 Ca 0.08 0.53 -0.18 0.00 0.36 0.00 0.00 54.97 55.76 1nr2 s GLU 13 Cb 0.10 0.19 -0.14 0.00 0.26 0.00 0.00 34.13 34.54 1nr2 s GLU 13 CO 0.65 -1.00 0.03 0.66 -0.54 0.00 0.00 175.26 175.06 1nr2 n TYR 14 N 5.41 -2.35 -2.94 5.30 0.53 -1.26 -4.64 117.16 117.21 1nr2 n TYR 14 Ca 0.04 0.47 -0.42 0.00 -1.02 0.00 0.00 57.90 56.97 1nr2 n TYR 14 Cb 0.53 -1.75 -0.05 0.00 -1.03 0.00 0.00 39.34 37.04 1nr2 n TYR 14 CO 0.00 0.00 0.00 0.12 -1.02 0.00 0.00 176.86 175.96 1nr2 s PHE 15 N -1.91 3.22 -0.38 -0.72 2.19 0.50 -4.92 117.98 115.96 1nr2 s PHE 15 Ca 0.60 0.86 -0.18 0.00 0.33 0.00 0.00 56.93 58.54 1nr2 s PHE 15 Cb -0.50 -3.19 0.01 0.00 -1.31 0.00 0.00 43.02 38.02 1nr2 s PHE 15 CO 0.63 -0.54 0.53 0.21 1.83 0.00 0.00 175.22 177.88 1nr2 s LYS 16 N 2.94 3.47 0.00 10.12 2.20 -1.26 -4.91 119.74 132.29 1nr2 s LYS 16 Ca 0.33 -0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.64 1nr2 s LYS 16 Cb -0.14 -3.86 0.00 0.00 -1.51 0.00 0.00 37.83 32.31 1nr2 s LYS 16 CO 0.12 -0.75 0.00 0.41 -0.36 0.00 0.00 175.35 174.76 1nr2 n GLY 17 N 4.90 0.44 3.51 5.54 0.00 -1.26 -5.09 105.19 113.22 1nr2 n GLY 17 Ca -0.05 -1.49 -0.36 0.00 0.00 0.00 0.00 46.02 44.12 1nr2 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nr2 s ALA 18 N -1.00 3.26 -0.10 4.61 0.00 -1.26 -5.06 121.76 122.22 1nr2 s ALA 18 Ca 0.00 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 50.65 1nr2 s ALA 18 Cb 0.00 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 1nr2 s ALA 18 CO 0.00 -0.30 1.43 0.42 0.00 0.00 0.00 175.76 177.31 1nr2 s ILE 19 N 1.27 3.93 -1.37 0.00 1.01 -1.26 -4.90 121.20 119.87 1nr2 s ILE 19 Ca 0.05 1.15 -0.15 0.00 0.00 0.00 0.00 60.65 61.71 1nr2 s ILE 19 Cb -0.15 -3.74 0.07 0.00 0.01 0.00 0.00 42.46 38.65 1nr2 s ILE 19 CO 0.04 -0.09 1.97 -2.65 0.00 0.00 0.00 174.94 174.21 1nr2 n PRO 20 N 6.60 3.09 -0.29 2.79 -0.02 -1.26 -4.81 135.00 141.11 1nr2 n PRO 20 Ca 0.15 -3.02 0.28 0.00 -2.02 0.00 0.00 63.50 58.89 1nr2 n PRO 20 Cb 0.44 -3.30 0.52 0.00 -0.02 0.00 0.00 33.50 31.13 1nr2 n PRO 20 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1nr2 n LEU 21 N 6.58 0.30 0.32 2.45 4.32 -1.26 0.18 117.00 129.89 1nr2 n LEU 21 Ca 0.49 1.48 0.20 0.00 -0.02 0.00 0.00 56.01 58.16 1nr2 n LEU 21 Cb 0.41 -0.72 1.05 0.00 -1.62 0.00 0.00 43.42 42.54 1nr2 n LEU 21 CO 0.83 -1.65 1.13 0.08 -1.22 0.00 0.00 177.39 176.55 1nr2 h ARG 22 N 0.00 0.00 0.03 3.23 0.11 -2.02 -3.10 114.38 112.62 1nr2 h ARG 22 Ca 0.75 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 60.47 1nr2 h ARG 22 Cb 1.98 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 33.00 1nr2 h ARG 22 CO -0.69 0.01 -2.19 1.63 0.10 0.00 0.00 179.97 178.83 1nr2 n LYS 23 N -3.19 0.68 -1.63 0.08 5.02 0.49 -4.97 118.16 114.64 1nr2 n LYS 23 Ca -0.02 0.16 -0.47 0.00 -2.02 0.00 0.00 58.31 55.96 1nr2 n LYS 23 Cb 0.14 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 33.49 1nr2 n LYS 23 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1nr2 n LEU 24 N -3.12 2.40 0.00 -0.35 4.32 -1.12 -0.72 117.00 118.42 1nr2 n LEU 24 Ca -0.33 1.13 0.00 0.00 -0.02 0.00 0.00 56.01 56.79 1nr2 n LEU 24 Cb 1.06 -1.33 0.00 0.00 -1.62 0.00 0.00 43.42 41.54 1nr2 n LEU 24 CO 0.38 -0.80 0.04 1.17 -1.22 0.00 0.00 177.39 176.96 1nr2 n LYS 25 N 2.20 2.29 0.00 3.23 3.00 -0.10 -4.73 118.16 124.05 1nr2 n LYS 25 Ca 0.14 -0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 1nr2 n LYS 25 Cb 0.27 -0.39 0.00 0.00 0.00 0.00 0.00 35.03 34.91 1nr2 n LYS 25 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1nr2 n THR 26 N -0.35 0.00 -3.50 3.15 5.66 -1.14 -4.98 114.28 113.13 1nr2 n THR 26 Ca 0.00 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.84 1nr2 n THR 26 Cb 0.04 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.77 1nr2 n THR 26 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 175.07 170.36 1nr2 s TRP 27 N -2.00 -0.62 0.20 1.09 1.48 -1.26 -1.14 118.94 116.69 1nr2 s TRP 27 Ca 0.00 0.90 0.05 0.00 -1.06 0.00 0.00 56.10 55.99 1nr2 s TRP 27 Cb 0.00 0.45 -0.02 0.00 -1.16 0.00 0.00 33.47 32.74 1nr2 s TRP 27 CO 0.00 -0.66 0.17 2.48 -4.06 0.00 0.00 176.95 174.88 1nr2 n TYR 28 N 0.56 -0.49 -4.69 1.66 0.18 -1.18 -5.02 117.16 108.18 1nr2 n TYR 28 Ca -0.18 -1.67 -0.32 0.00 1.88 0.00 0.00 57.90 57.61 1nr2 n TYR 28 Cb 0.59 0.18 -0.17 0.00 -0.38 0.00 0.00 39.34 39.56 1nr2 n TYR 28 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1nr2 s GLN 29 N -2.80 2.88 0.61 -3.48 0.74 -1.26 -2.48 119.66 113.87 1nr2 s GLN 29 Ca 0.24 -0.81 -0.18 0.00 0.05 0.00 0.00 55.36 54.67 1nr2 s GLN 29 Cb 0.01 -2.32 -0.12 0.00 1.10 0.00 0.00 33.01 31.68 1nr2 s GLN 29 CO 0.17 -0.00 0.08 0.25 -0.55 0.00 0.00 175.29 175.23 1nr2 n THR 30 N 4.03 0.86 -1.57 -0.34 -2.24 -1.07 -4.88 114.28 109.08 1nr2 n THR 30 Ca -0.20 -0.48 -0.40 0.00 -2.27 0.00 0.00 64.05 60.70 1nr2 n THR 30 Cb 0.52 -0.29 0.03 0.00 -2.10 0.00 0.00 70.33 68.48 1nr2 n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1nr2 n SER 31 N 1.63 0.45 -0.26 3.42 7.64 -0.96 -4.85 113.62 120.69 1nr2 n SER 31 Ca 0.08 0.89 -0.02 0.00 1.01 0.00 0.00 58.87 60.83 1nr2 n SER 31 Cb 0.49 -1.31 0.09 0.00 -1.01 0.00 0.00 64.21 62.47 1nr2 n SER 31 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1nr2 h GLU 32 N 0.89 0.82 -1.10 1.43 3.07 -1.93 -2.71 114.58 115.05 1nr2 h GLU 32 Ca -0.46 -0.05 0.31 0.00 -0.50 0.00 0.00 59.36 58.67 1nr2 h GLU 32 Cb 1.36 -0.18 -0.11 0.00 -0.84 0.00 0.00 28.75 28.98 1nr2 h GLU 32 CO 0.52 0.54 0.70 -0.44 -1.40 0.00 0.00 179.01 178.93 1nr2 h ASP 33 N 0.84 0.42 -2.56 1.42 3.32 -1.94 -3.44 116.42 114.47 1nr2 h ASP 33 Ca 0.30 0.11 -0.60 0.00 0.02 0.00 0.00 57.03 56.87 1nr2 h ASP 33 Cb 0.08 0.06 0.15 0.00 0.22 0.00 0.00 39.33 39.84 1nr2 h ASP 33 CO -0.14 -0.00 -0.33 0.00 -1.72 0.00 0.00 179.24 177.05 1nr2 h SER 35 N 0.77 -1.31 -5.54 0.00 0.87 -1.90 -3.44 113.55 103.00 1nr2 h SER 35 Ca -0.42 0.13 -0.42 0.00 -1.23 0.00 0.00 61.79 59.85 1nr2 h SER 35 Cb 1.39 0.47 -0.02 0.00 -0.44 0.00 0.00 62.40 63.80 1nr2 h SER 35 CO 0.51 -0.55 -0.16 -2.11 -0.53 0.00 0.00 176.83 173.99 1nr2 n ARG 36 N -5.50 0.81 -4.60 2.24 1.85 -1.26 -5.13 116.66 105.07 1nr2 n ARG 36 Ca -0.09 -2.59 -0.34 0.00 -1.00 0.00 0.00 57.85 53.84 1nr2 n ARG 36 Cb 0.41 0.13 -0.12 0.00 -1.05 0.00 0.00 32.46 31.83 1nr2 n ARG 36 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1nr2 s ASP 37 N -3.60 4.63 0.27 2.89 3.68 -1.26 -4.85 116.67 118.44 1nr2 s ASP 37 Ca 0.32 -0.06 -0.21 0.00 2.13 0.00 0.00 52.55 54.73 1nr2 s ASP 37 Cb -0.03 -1.29 0.02 0.00 -1.45 0.00 0.00 42.92 40.18 1nr2 s ASP 37 CO 0.20 0.32 0.70 0.00 0.13 0.00 0.00 175.17 176.52 1nr2 s ALA 38 N -0.55 -1.22 -0.12 3.66 0.00 -1.26 -4.47 121.76 117.79 1nr2 s ALA 38 Ca 0.08 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.79 1nr2 s ALA 38 Cb -0.12 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 1nr2 s ALA 38 CO 0.02 -1.01 -0.15 0.42 0.00 0.00 0.00 175.76 175.04 1nr2 s ILE 39 N -3.91 2.85 -0.50 0.00 -1.09 0.48 -2.59 121.20 116.43 1nr2 s ILE 39 Ca 0.11 -0.74 -0.09 0.00 -2.23 0.00 0.00 60.65 57.70 1nr2 s ILE 39 Cb -0.05 -2.18 0.13 0.00 -1.58 0.00 0.00 42.46 38.78 1nr2 s ILE 39 CO 0.05 0.53 0.37 -0.69 -1.23 0.00 0.00 174.94 173.98 1nr2 s VAL 40 N 0.34 4.24 0.06 2.92 1.01 -1.03 -1.05 120.40 126.88 1nr2 s VAL 40 Ca -0.12 -1.92 -0.31 0.00 0.00 0.00 0.00 61.98 59.63 1nr2 s VAL 40 Cb -0.16 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 1nr2 s VAL 40 CO 0.06 -0.80 1.34 -0.36 0.00 0.00 0.00 175.10 175.35 1nr2 s PHE 41 N 1.19 3.15 -0.20 5.22 0.40 -0.87 -3.12 117.98 123.74 1nr2 s PHE 41 Ca 0.07 1.00 -0.07 0.00 -0.60 0.00 0.00 56.93 57.33 1nr2 s PHE 41 Cb -0.25 -3.60 -0.03 0.00 0.51 0.00 0.00 43.02 39.64 1nr2 s PHE 41 CO -0.01 -2.11 0.05 0.08 0.70 0.00 0.00 175.22 173.92 1nr2 s VAL 42 N 1.58 4.41 0.21 -0.44 1.01 -0.29 -0.27 120.40 126.61 1nr2 s VAL 42 Ca 0.63 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.41 1nr2 s VAL 42 Cb -0.33 -3.01 0.05 0.00 0.00 0.00 0.00 36.38 33.10 1nr2 s VAL 42 CO 0.28 0.42 0.26 0.35 0.00 0.00 0.00 175.10 176.41 1nr2 n THR 43 N 4.12 0.00 0.14 3.92 -2.24 0.26 -0.93 114.28 119.54 1nr2 n THR 43 Ca -0.17 -0.18 0.01 0.00 -2.27 0.00 0.00 64.05 61.44 1nr2 n THR 43 Cb 0.52 -1.73 0.12 0.00 -2.10 0.00 0.00 70.33 67.13 1nr2 n THR 43 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1nr2 h VAL 44 N -1.27 1.16 0.03 2.28 -1.51 -1.21 -3.25 116.25 112.47 1nr2 h VAL 44 Ca -0.09 -2.25 -0.29 0.00 -1.23 0.00 0.00 66.70 62.84 1nr2 h VAL 44 Cb 0.25 2.31 -0.04 0.00 -2.13 0.00 0.00 31.29 31.68 1nr2 h VAL 44 CO 0.06 0.58 -1.61 1.56 -1.23 0.00 0.00 177.57 176.93 1nr2 h GLN 45 N 0.00 0.06 0.00 5.19 1.08 -1.92 -3.49 115.11 116.03 1nr2 h GLN 45 Ca -0.01 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1nr2 h GLN 45 Cb 1.27 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.74 1nr2 h GLN 45 CO 0.08 0.74 0.00 0.41 -0.95 0.00 0.00 178.83 179.10 1nr2 n GLY 46 N 1.59 0.81 3.66 3.46 0.00 -1.23 -5.14 105.19 108.35 1nr2 n GLY 46 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1nr2 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nr2 s ARG 47 N 0.00 0.82 0.04 1.61 1.81 -1.26 -4.61 118.95 117.36 1nr2 s ARG 47 Ca 0.00 1.12 0.02 0.00 -1.72 0.00 0.00 55.73 55.15 1nr2 s ARG 47 Cb 0.00 -1.74 -0.02 0.00 -0.45 0.00 0.00 34.95 32.74 1nr2 s ARG 47 CO 0.00 -2.63 -0.08 0.00 -0.68 0.00 0.00 175.30 171.91 1nr2 s ALA 48 N -2.73 0.61 0.12 2.13 0.00 -1.26 0.89 121.76 121.52 1nr2 s ALA 48 Ca 0.65 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.89 1nr2 s ALA 48 Cb -0.21 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1nr2 s ALA 48 CO 0.59 -0.02 -0.15 0.96 0.00 0.00 0.00 175.76 177.15 1nr2 s ILE 49 N -1.42 1.37 -0.10 0.00 -4.36 0.63 -4.97 121.20 112.35 1nr2 s ILE 49 Ca -0.09 -1.70 -0.02 0.00 -0.26 0.00 0.00 60.65 58.57 1nr2 s ILE 49 Cb -0.10 -1.53 -0.03 0.00 1.25 0.00 0.00 42.46 42.05 1nr2 s ILE 49 CO 0.00 -0.38 0.01 0.00 0.24 0.00 0.00 174.94 174.81 1nr2 s SER 51 N -0.75 0.01 -0.31 0.00 0.01 -0.21 0.19 113.70 112.64 1nr2 s SER 51 Ca 0.12 -0.36 -0.29 0.00 1.31 0.00 0.00 55.95 56.73 1nr2 s SER 51 Cb -0.12 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1nr2 s SER 51 CO 0.02 -0.59 1.26 -0.62 0.41 0.00 0.00 173.24 173.72 1nr2 s ASP 52 N -2.16 6.72 0.55 2.44 3.68 -1.26 -0.39 116.67 126.25 1nr2 s ASP 52 Ca -0.04 1.16 0.33 0.00 2.13 0.00 0.00 52.55 56.13 1nr2 s ASP 52 Cb -0.00 -2.54 1.48 0.00 -1.45 0.00 0.00 42.92 40.41 1nr2 s ASP 52 CO -0.04 -1.05 1.83 -0.65 0.13 0.00 0.00 175.17 175.38 1nr2 h PRO 53 N 9.08 0.00 0.00 4.34 0.11 -1.89 0.77 132.00 144.41 1nr2 h PRO 53 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1nr2 h PRO 53 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1nr2 h PRO 53 CO 1.04 0.00 -0.42 0.09 -0.21 0.00 0.00 178.00 178.50 1nr2 n ASN 54 N -4.08 0.59 -4.76 -2.05 4.13 -1.26 -4.60 115.26 103.23 1nr2 n ASN 54 Ca 0.20 0.16 -0.41 0.00 1.68 0.00 0.00 54.58 56.20 1nr2 n ASN 54 Cb 1.05 -0.06 -0.01 0.00 -1.54 0.00 0.00 39.78 39.22 1nr2 n ASN 54 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1nr2 n ASN 55 N -1.92 3.90 0.03 6.41 5.15 0.26 -4.92 115.26 124.17 1nr2 n ASN 55 Ca 0.05 1.18 -0.11 0.00 -0.60 0.00 0.00 54.58 55.10 1nr2 n ASN 55 Cb 0.40 -1.61 -0.06 0.00 -0.53 0.00 0.00 39.78 37.98 1nr2 n ASN 55 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1nr2 h LYS 56 N 4.04 -0.04 -0.06 1.20 3.11 -1.90 -2.06 116.57 120.86 1nr2 h LYS 56 Ca -0.49 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.36 1nr2 h LYS 56 Cb 1.23 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.47 1nr2 h LYS 56 CO 0.73 -0.02 0.00 0.54 -2.81 0.00 0.00 179.45 177.88 1nr2 n ARG 57 N -5.13 1.34 -0.01 1.90 5.12 -1.26 -2.16 116.66 116.46 1nr2 n ARG 57 Ca -0.06 -0.51 -0.22 0.00 -1.93 0.00 0.00 57.85 55.14 1nr2 n ARG 57 Cb 0.07 -1.37 -0.14 0.00 -1.16 0.00 0.00 32.46 29.87 1nr2 n ARG 57 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1nr2 h VAL 58 N 1.06 0.68 0.00 1.55 2.07 -1.83 -2.88 116.25 116.90 1nr2 h VAL 58 Ca 0.00 -2.32 -0.05 0.00 0.82 0.00 0.00 66.70 65.15 1nr2 h VAL 58 Cb 0.23 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 1nr2 h VAL 58 CO 0.00 0.80 -0.23 0.11 0.02 0.00 0.00 177.57 178.27 1nr2 h LYS 59 N -0.11 0.00 0.04 1.57 1.57 -1.17 -2.97 116.57 115.50 1nr2 h LYS 59 Ca -0.41 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.13 1nr2 h LYS 59 Cb 1.92 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.23 1nr2 h LYS 59 CO 0.04 0.23 -1.03 -0.97 -0.57 0.00 0.00 179.45 177.16 1nr2 h ASN 60 N 0.00 0.54 0.34 0.86 -1.24 -1.56 -2.64 115.58 111.88 1nr2 h ASN 60 Ca -0.00 -0.47 -0.12 0.00 0.71 0.00 0.00 56.30 56.42 1nr2 h ASN 60 Cb 0.70 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.57 1nr2 h ASN 60 CO 0.03 1.28 -0.51 0.00 -1.29 0.00 0.00 177.43 176.95 1nr2 h ALA 61 N 0.67 1.01 -0.20 1.57 0.00 -1.36 -2.65 119.26 118.31 1nr2 h ALA 61 Ca -0.10 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.25 1nr2 h ALA 61 Cb 1.69 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 1nr2 h ALA 61 CO 0.18 0.66 -0.22 0.28 0.00 0.00 0.00 179.25 180.15 1nr2 h VAL 62 N 0.15 1.33 -1.00 0.00 2.07 -1.61 -2.67 116.25 114.52 1nr2 h VAL 62 Ca 0.00 -1.39 0.11 0.00 0.82 0.00 0.00 66.70 66.24 1nr2 h VAL 62 Cb 0.95 1.79 -0.08 0.00 -1.52 0.00 0.00 31.29 32.43 1nr2 h VAL 62 CO 0.08 0.42 0.63 0.11 0.02 0.00 0.00 177.57 178.83 1nr2 h LYS 63 N 0.16 0.98 -0.04 1.57 1.57 -1.29 -0.82 116.57 118.70 1nr2 h LYS 63 Ca 0.03 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1nr2 h LYS 63 Cb 0.77 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1nr2 h LYS 63 CO 0.05 0.65 -0.00 -0.92 -0.57 0.00 0.00 179.45 178.66 1nr2 h TYR 64 N 1.01 0.07 -0.43 -1.35 3.20 -1.36 0.16 116.97 118.27 1nr2 h TYR 64 Ca 0.49 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.33 1nr2 h TYR 64 Cb 0.45 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1nr2 h TYR 64 CO -0.01 0.37 0.20 -0.07 -1.64 0.00 0.00 178.16 177.02 1nr2 h LEU 65 N -0.25 0.53 -1.62 2.82 3.38 -1.37 -1.27 115.31 117.53 1nr2 h LEU 65 Ca 0.01 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1nr2 h LEU 65 Cb 0.34 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1nr2 h LEU 65 CO 0.00 0.46 -0.14 1.56 0.09 0.00 0.00 178.44 180.41 1nr2 h GLN 66 N 0.60 0.00 0.00 1.13 1.08 -0.37 -1.89 115.11 115.65 1nr2 h GLN 66 Ca 0.15 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.33 1nr2 h GLN 66 Cb 0.07 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1nr2 h GLN 66 CO -0.02 0.14 -0.25 1.03 -0.95 0.00 0.00 178.83 178.77 1nr2 h SER 67 N 0.00 0.00 0.56 1.46 0.87 0.49 -3.21 113.55 113.72 1nr2 h SER 67 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1nr2 h SER 67 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1nr2 h SER 67 CO 0.02 0.09 0.00 0.18 -0.53 0.00 0.00 176.83 176.59 1nr2 n LEU 68 N -3.05 0.00 0.00 2.23 4.32 -0.71 -5.09 117.00 114.69 1nr2 n LEU 68 Ca 0.03 0.37 0.00 0.00 -0.02 0.00 0.00 56.01 56.39 1nr2 n LEU 68 Cb 0.57 -0.37 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 1nr2 n LEU 68 CO 0.36 -0.09 0.00 1.21 -1.22 0.00 0.00 177.39 177.65