#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k47 s ASP 2 N 0.00 4.98 0.28 6.43 2.15 -1.26 -4.87 116.67 124.37 2k47 s ASP 2 Ca 0.00 -0.42 -0.02 0.00 0.43 0.00 0.00 52.55 52.55 2k47 s ASP 2 Cb 0.00 -1.11 0.44 0.00 -0.30 0.00 0.00 42.92 41.95 2k47 s ASP 2 CO 0.00 0.02 1.90 1.62 -0.17 0.00 0.00 175.17 178.54 2k47 h VAL 3 N 1.93 1.10 0.03 1.11 3.04 -0.86 -0.05 116.25 122.55 2k47 h VAL 3 Ca -0.47 -0.39 -0.24 0.00 -1.01 0.00 0.00 66.70 64.60 2k47 h VAL 3 Cb 1.23 -0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.37 2k47 h VAL 3 CO 0.60 0.21 -1.02 -0.25 -1.01 0.00 0.00 177.57 176.10 2k47 h TRP 4 N 1.14 0.59 0.21 3.17 2.91 -1.93 -3.31 115.95 118.73 2k47 h TRP 4 Ca 0.41 -0.34 -0.01 0.00 1.13 0.00 0.00 58.89 60.07 2k47 h TRP 4 Cb 0.14 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 28.73 2k47 h TRP 4 CO -0.00 1.18 -0.10 1.03 -1.03 0.00 0.00 178.44 179.52 2k47 h SER 5 N 0.19 -0.24 -2.79 2.65 0.87 -1.80 -3.34 113.55 109.10 2k47 h SER 5 Ca -0.09 -0.10 -0.74 0.00 -1.23 0.00 0.00 61.79 59.63 2k47 h SER 5 Cb 1.67 0.06 -0.21 0.00 -0.44 0.00 0.00 62.40 63.49 2k47 h SER 5 CO 0.17 -0.05 0.80 -0.76 -0.53 0.00 0.00 176.83 176.46 2k47 s LEU 6 N -9.89 5.58 0.00 2.23 1.02 -0.08 -4.72 118.68 112.82 2k47 s LEU 6 Ca -0.15 -2.72 0.03 0.00 0.02 0.00 0.00 54.13 51.31 2k47 s LEU 6 Cb 0.04 -2.33 0.05 0.00 0.02 0.00 0.00 46.19 43.97 2k47 s LEU 6 CO 0.63 -0.75 0.85 -1.20 0.02 0.00 0.00 176.35 175.91 2k47 n SER 7 N 5.16 1.80 -0.02 2.29 7.64 -1.25 -4.62 113.62 124.61 2k47 n SER 7 Ca 0.26 -1.61 0.00 0.00 1.01 0.00 0.00 58.87 58.54 2k47 n SER 7 Cb 0.45 -0.03 -0.13 0.00 -1.01 0.00 0.00 64.21 63.49 2k47 n SER 7 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2k47 n LYS 8 N -0.06 0.65 -2.06 1.43 4.76 -1.26 -0.49 118.16 121.13 2k47 n LYS 8 Ca 0.02 0.02 -0.40 0.00 -2.87 0.00 0.00 58.31 55.09 2k47 n LYS 8 Cb 0.20 -1.63 -0.03 0.00 -1.84 0.00 0.00 35.03 31.72 2k47 n LYS 8 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2k47 s THR 9 N -2.98 3.43 0.73 -0.18 -4.23 -1.26 -4.80 115.64 106.36 2k47 s THR 9 Ca -0.07 0.33 -0.07 0.00 -1.18 0.00 0.00 61.69 60.70 2k47 s THR 9 Cb 0.09 -3.91 0.08 0.00 1.34 0.00 0.00 72.50 70.10 2k47 s THR 9 CO 0.84 -0.80 1.05 -0.44 -0.54 0.00 0.00 174.62 174.73 2k47 s SER 10 N 7.25 4.64 0.01 3.99 0.01 -1.26 -4.67 113.70 123.68 2k47 s SER 10 Ca 0.69 0.42 0.02 0.00 1.31 0.00 0.00 55.95 58.38 2k47 s SER 10 Cb -0.15 -1.00 -0.01 0.00 0.21 0.00 0.00 66.02 65.07 2k47 s SER 10 CO 0.24 -1.72 -0.06 -0.32 0.41 0.00 0.00 173.24 171.80 2k47 s MET 11 N -5.31 0.43 -0.26 12.44 1.75 -1.08 -4.93 119.30 122.35 2k47 s MET 11 Ca 0.62 -0.39 -0.12 0.00 -1.25 0.00 0.00 55.69 54.54 2k47 s MET 11 Cb -0.10 -0.33 -0.05 0.00 2.84 0.00 0.00 34.83 37.20 2k47 s MET 11 CO 0.46 0.08 0.25 0.99 -0.65 0.00 0.00 175.02 176.15 2k47 s THR 12 N -0.60 5.27 0.09 10.11 2.01 -1.26 -3.07 115.64 128.18 2k47 s THR 12 Ca -0.03 0.33 -0.01 0.00 0.31 0.00 0.00 61.69 62.29 2k47 s THR 12 Cb -0.05 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2k47 s THR 12 CO -0.00 0.24 0.26 -0.36 -0.69 0.00 0.00 174.62 174.07 2k47 s PHE 13 N 1.68 3.51 -0.27 4.92 0.08 0.14 -4.94 117.98 123.10 2k47 s PHE 13 Ca 0.10 0.34 0.02 0.00 0.12 0.00 0.00 56.93 57.51 2k47 s PHE 13 Cb -0.15 -1.83 0.07 0.00 -0.57 0.00 0.00 43.02 40.54 2k47 s PHE 13 CO 0.09 0.54 -0.03 -1.14 -0.10 0.00 0.00 175.22 174.58 2k47 s GLN 14 N -2.57 1.68 0.56 0.44 2.00 -1.26 -2.50 119.66 118.01 2k47 s GLN 14 Ca 0.37 -1.30 -0.19 0.00 -2.00 0.00 0.00 55.36 52.24 2k47 s GLN 14 Cb -0.13 -2.76 -0.09 0.00 0.80 0.00 0.00 33.01 30.83 2k47 s GLN 14 CO 0.27 -0.70 0.58 -0.35 -0.50 0.00 0.00 175.29 174.58 2k47 n PRO 15 N 4.52 0.57 -0.04 1.67 -0.04 -1.26 -2.05 135.00 138.38 2k47 n PRO 15 Ca -0.08 0.22 -0.16 0.00 -0.04 0.00 0.00 63.50 63.44 2k47 n PRO 15 Cb 0.43 -1.73 -0.06 0.00 -0.04 0.00 0.00 33.50 32.10 2k47 n PRO 15 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2k47 h LYS 16 N 0.34 0.81 -6.30 0.54 1.79 -1.71 -3.44 116.57 108.60 2k47 h LYS 16 Ca -0.45 -0.61 -0.46 0.00 -2.18 0.00 0.00 60.65 56.95 2k47 h LYS 16 Cb 1.40 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 32.15 2k47 h LYS 16 CO 0.48 1.23 -0.32 0.15 -1.08 0.00 0.00 179.45 179.91 2k47 s LYS 17 N -3.87 2.67 0.13 3.15 3.01 -1.26 -5.04 119.74 118.52 2k47 s LYS 17 Ca -0.10 -1.40 -0.06 0.00 -1.01 0.00 0.00 55.97 53.40 2k47 s LYS 17 Cb 0.09 -2.56 -0.10 0.00 -1.01 0.00 0.00 37.83 34.25 2k47 s LYS 17 CO 0.90 -0.23 1.31 0.00 0.51 0.00 0.00 175.35 177.83 2k47 h ALA 18 N 0.84 0.36 -0.86 5.17 0.00 -2.00 -3.25 119.26 119.52 2k47 h ALA 18 Ca -0.41 -0.69 0.09 0.00 0.00 0.00 0.00 54.91 53.90 2k47 h ALA 18 Cb 1.27 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 2k47 h ALA 18 CO 0.51 0.78 0.56 1.03 0.00 0.00 0.00 179.25 182.13 2k47 h SER 19 N 0.28 0.78 -4.09 0.00 0.87 -1.99 -3.42 113.55 105.99 2k47 h SER 19 Ca -0.08 0.02 -0.47 0.00 -1.23 0.00 0.00 61.79 60.03 2k47 h SER 19 Cb 1.55 -0.15 0.02 0.00 -0.44 0.00 0.00 62.40 63.38 2k47 h SER 19 CO 0.16 0.47 0.38 -0.76 -0.53 0.00 0.00 176.83 176.56 2k47 s LEU 20 N -9.88 3.82 -0.04 2.23 1.43 -1.23 -5.07 118.68 109.94 2k47 s LEU 20 Ca -0.11 1.87 0.03 0.00 -1.03 0.00 0.00 54.13 54.90 2k47 s LEU 20 Cb 0.20 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.84 2k47 s LEU 20 CO 0.79 -0.75 -0.12 -1.10 0.23 0.00 0.00 176.35 175.40 2k47 s GLN 21 N -3.33 2.51 0.69 1.70 1.11 -1.26 -4.76 119.66 116.31 2k47 s GLN 21 Ca 0.66 -0.70 -0.17 0.00 0.01 0.00 0.00 55.36 55.16 2k47 s GLN 21 Cb -0.15 -2.41 -0.02 0.00 -1.01 0.00 0.00 33.01 29.41 2k47 s GLN 21 CO 0.21 0.62 0.80 -2.30 0.01 0.00 0.00 175.29 174.63 2k47 n PRO 22 N 2.13 0.51 -4.60 2.91 -0.02 -1.26 -4.67 135.00 130.01 2k47 n PRO 22 Ca -0.17 0.22 -0.29 0.00 -2.02 0.00 0.00 63.50 61.24 2k47 n PRO 22 Cb 0.52 -2.05 -0.17 0.00 -0.02 0.00 0.00 33.50 31.79 2k47 n PRO 22 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2k47 s LEU 23 N -1.73 1.84 -0.36 2.45 0.20 -1.04 -4.93 118.68 115.10 2k47 s LEU 23 Ca 0.71 -0.47 0.01 0.00 0.69 0.00 0.00 54.13 55.07 2k47 s LEU 23 Cb -0.37 -1.18 0.11 0.00 -0.43 0.00 0.00 46.19 44.33 2k47 s LEU 23 CO 0.52 0.05 0.14 -0.89 -0.29 0.00 0.00 176.35 175.88 2k47 s THR 24 N 0.85 1.31 0.18 3.68 2.01 -1.25 0.28 115.64 122.71 2k47 s THR 24 Ca -0.09 -1.99 -0.15 0.00 0.31 0.00 0.00 61.69 59.78 2k47 s THR 24 Cb -0.15 -1.96 0.02 0.00 0.01 0.00 0.00 72.50 70.41 2k47 s THR 24 CO -0.00 -0.74 0.44 -0.51 -0.69 0.00 0.00 174.62 173.12 2k47 s ILE 25 N 1.03 0.04 0.39 1.82 2.07 -1.18 -4.87 121.20 120.50 2k47 s ILE 25 Ca 0.13 -0.99 0.01 0.00 -1.41 0.00 0.00 60.65 58.39 2k47 s ILE 25 Cb -0.20 -1.67 -0.00 0.00 0.13 0.00 0.00 42.46 40.71 2k47 s ILE 25 CO -0.13 -0.18 0.04 -0.24 -1.91 0.00 0.00 174.94 172.52 2k47 n SER 26 N -0.30 2.51 0.31 4.50 2.88 -1.26 -2.62 113.62 119.65 2k47 n SER 26 Ca -0.09 -2.80 -0.18 0.00 -1.33 0.00 0.00 58.87 54.47 2k47 n SER 26 Cb 0.63 0.47 -0.09 0.00 -0.75 0.00 0.00 64.21 64.46 2k47 n SER 26 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2k47 h LEU 27 N 0.00 -1.26 -0.71 2.46 3.38 -1.81 -0.50 115.31 116.87 2k47 h LEU 27 Ca -0.32 0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 2k47 h LEU 27 Cb 1.02 0.40 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 2k47 h LEU 27 CO 0.52 -0.65 0.16 -0.78 0.09 0.00 0.00 178.44 177.77 2k47 h ASP 28 N -1.00 1.08 0.78 -0.43 3.58 -1.11 -1.02 116.42 118.31 2k47 h ASP 28 Ca -0.06 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2k47 h ASP 28 Cb 0.85 -0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2k47 h ASP 28 CO -0.02 1.05 0.00 -0.62 -2.88 0.00 0.00 179.24 176.77 2k47 n GLU 29 N -4.22 0.10 -0.03 0.28 4.71 -1.18 -3.27 120.64 117.03 2k47 n GLU 29 Ca 0.05 0.26 0.02 0.00 -0.01 0.00 0.00 57.16 57.48 2k47 n GLU 29 Cb 0.27 -1.66 0.02 0.00 -1.01 0.00 0.00 31.44 29.06 2k47 n GLU 29 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 2k47 n LEU 30 N -1.85 1.77 -4.01 -4.62 7.94 -0.20 -4.83 117.00 111.20 2k47 n LEU 30 Ca 0.04 -1.92 -0.18 0.00 -1.11 0.00 0.00 56.01 52.84 2k47 n LEU 30 Cb 0.25 -0.07 -0.15 0.00 0.53 0.00 0.00 43.42 43.98 2k47 n LEU 30 CO 0.20 0.47 -0.43 -0.36 -1.11 0.00 0.00 177.39 176.16 2k47 s PHE 31 N -1.17 0.73 -0.08 1.96 0.08 -0.44 -4.93 117.98 114.13 2k47 s PHE 31 Ca 0.05 -0.14 0.20 0.00 0.12 0.00 0.00 56.93 57.17 2k47 s PHE 31 Cb 0.05 -0.47 0.43 0.00 -0.57 0.00 0.00 43.02 42.45 2k47 s PHE 31 CO 0.01 -0.01 1.19 0.43 -0.10 0.00 0.00 175.22 176.73 2k47 n SER 32 N 2.89 1.29 -3.64 1.36 7.64 -1.26 -4.83 113.62 117.07 2k47 n SER 32 Ca -0.13 -2.70 -0.11 0.00 1.01 0.00 0.00 58.87 56.93 2k47 n SER 32 Cb 0.57 -0.39 -0.07 0.00 -1.01 0.00 0.00 64.21 63.32 2k47 n SER 32 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k47 s SER 33 N -2.48 -0.60 0.04 6.43 0.15 -1.26 -5.04 113.70 110.95 2k47 s SER 33 Ca 0.35 1.13 -0.25 0.00 0.70 0.00 0.00 55.95 57.89 2k47 s SER 33 Cb 0.38 1.16 -0.17 0.00 -1.71 0.00 0.00 66.02 65.68 2k47 s SER 33 CO -0.13 -0.19 1.52 0.03 1.20 0.00 0.00 173.24 175.66 2k47 h ARG 34 N 4.72 -0.12 -0.42 5.44 3.08 -2.00 -2.59 114.38 122.49 2k47 h ARG 34 Ca -0.29 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.76 2k47 h ARG 34 Cb 1.17 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 2k47 h ARG 34 CO 0.09 0.09 0.19 0.78 -1.07 0.00 0.00 179.97 180.05 2k47 h GLY 35 N -0.32 0.62 0.92 0.04 0.00 -2.00 -2.06 103.07 100.26 2k47 h GLY 35 Ca -0.01 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.06 2k47 h GLY 35 CO 0.02 0.27 0.51 -2.09 0.00 0.00 0.00 176.54 175.25 2k47 h GLU 36 N 0.58 0.99 -0.60 4.80 4.57 -1.93 -1.81 114.58 121.18 2k47 h GLU 36 Ca 0.15 -0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.29 2k47 h GLU 36 Cb 0.08 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 28.41 2k47 h GLU 36 CO -0.02 0.65 0.37 0.35 -1.18 0.00 0.00 179.01 179.18 2k47 h PHE 37 N 1.02 0.69 0.04 0.92 3.04 -0.98 -1.93 116.94 119.74 2k47 h PHE 37 Ca 0.31 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.29 2k47 h PHE 37 Cb -0.03 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.23 2k47 h PHE 37 CO -0.02 0.39 -0.11 0.82 -2.02 0.00 0.00 178.31 177.36 2k47 h ILE 38 N 0.72 0.73 0.25 1.41 1.08 -1.15 -2.56 117.51 117.99 2k47 h ILE 38 Ca 0.24 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.70 2k47 h ILE 38 Cb 0.03 0.73 -0.00 0.00 -3.07 0.00 0.00 36.82 34.50 2k47 h ILE 38 CO -0.10 0.00 -0.18 0.28 -0.69 0.00 0.00 178.15 177.45 2k47 h SER 39 N -0.21 -0.47 -1.00 1.72 0.02 -1.07 -2.97 113.55 109.56 2k47 h SER 39 Ca 0.03 0.03 0.35 0.00 -0.84 0.00 0.00 61.79 61.36 2k47 h SER 39 Cb 0.24 0.15 -0.10 0.00 0.14 0.00 0.00 62.40 62.83 2k47 h SER 39 CO -0.08 -0.26 0.64 1.33 -1.14 0.00 0.00 176.83 177.31 2k47 n VAL 40 N -3.40 -0.19 0.00 2.27 0.24 -0.75 -4.62 118.33 111.89 2k47 n VAL 40 Ca -0.05 1.32 0.00 0.00 -2.04 0.00 0.00 64.34 63.57 2k47 n VAL 40 Cb 0.18 -2.16 0.00 0.00 -1.47 0.00 0.00 33.84 30.39 2k47 n VAL 40 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k47 n GLY 41 N -1.37 0.58 2.92 7.63 0.00 -1.12 -4.53 105.19 109.29 2k47 n GLY 41 Ca 0.29 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 2k47 n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k47 s GLY 42 N -0.78 1.94 0.00 -0.02 0.00 -0.97 -4.89 107.32 102.60 2k47 s GLY 42 Ca 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 44.72 42.06 2k47 s GLY 42 CO 0.00 1.14 0.00 1.22 0.00 0.00 0.00 173.10 175.46 2k47 n ASP 43 N 3.88 0.00 0.00 1.64 9.92 -1.26 -4.37 116.55 126.36 2k47 n ASP 43 Ca 0.04 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.46 2k47 n ASP 43 Cb 0.38 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.68 2k47 n ASP 43 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k47 n GLY 44 N 2.29 -1.68 3.48 0.44 0.00 -1.26 -4.95 105.19 103.52 2k47 n GLY 44 Ca 0.00 0.41 -0.43 0.00 0.00 0.00 0.00 46.02 46.00 2k47 n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k47 s ARG 45 N -0.99 3.27 0.49 1.61 3.00 -1.26 -0.16 118.95 124.90 2k47 s ARG 45 Ca 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 55.73 54.80 2k47 s ARG 45 Cb 0.00 -4.47 0.00 0.00 0.00 0.00 0.00 34.95 30.49 2k47 s ARG 45 CO 0.00 -1.92 0.74 1.41 0.00 0.00 0.00 175.30 175.53 2k47 s MET 46 N 4.23 2.97 0.00 3.54 1.75 -1.26 -4.98 119.30 125.55 2k47 s MET 46 Ca 0.29 -0.41 0.00 0.00 -1.25 0.00 0.00 55.69 54.32 2k47 s MET 46 Cb -0.11 -2.48 0.00 0.00 2.84 0.00 0.00 34.83 35.07 2k47 s MET 46 CO 0.05 -0.42 0.00 0.45 -0.65 0.00 0.00 175.02 174.45 2k47 n SER 47 N -2.23 0.00 0.00 1.11 2.88 -1.26 -4.92 113.62 109.20 2k47 n SER 47 Ca 0.03 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2k47 n SER 47 Cb 0.58 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 2k47 n SER 47 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2k47 n HIS 48 N -2.10 0.00 0.24 0.66 -0.00 -1.26 -4.93 115.22 107.82 2k47 n HIS 48 Ca 0.00 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.26 2k47 n HIS 48 Cb 0.00 0.00 0.59 0.00 -0.12 0.00 0.00 29.99 30.46 2k47 n HIS 48 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 2k47 h LYS 49 N 0.00 0.00 0.32 1.57 1.79 -1.98 -3.05 116.57 115.22 2k47 h LYS 49 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2k47 h LYS 49 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2k47 h LYS 49 CO 0.00 0.14 -0.15 0.93 -1.08 0.00 0.00 179.45 179.29 2k47 h GLU 50 N 0.00 -0.41 -0.53 3.15 4.39 -1.98 -2.81 114.58 116.40 2k47 h GLU 50 Ca -0.00 0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.82 2k47 h GLU 50 Cb 0.27 0.09 -0.11 0.00 -0.10 0.00 0.00 28.75 28.91 2k47 h GLU 50 CO 0.02 -0.11 -0.34 0.00 -1.16 0.00 0.00 179.01 177.42 2k47 h ALA 51 N -0.17 -0.11 -0.30 3.43 0.00 -1.87 -1.16 119.26 119.08 2k47 h ALA 51 Ca -0.04 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2k47 h ALA 51 Cb 0.49 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2k47 h ALA 51 CO 0.07 -0.70 0.19 0.82 0.00 0.00 0.00 179.25 179.63 2k47 h ILE 52 N -0.20 1.06 -0.79 0.00 1.08 -1.63 -2.65 117.51 114.39 2k47 h ILE 52 Ca 0.21 -0.13 0.23 0.00 -0.39 0.00 0.00 64.86 64.77 2k47 h ILE 52 Cb 0.55 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 34.90 2k47 h ILE 52 CO -0.63 0.07 0.63 0.25 -0.69 0.00 0.00 178.15 177.78 2k47 h LEU 53 N 0.39 0.00 -1.65 1.44 5.85 -0.94 -0.36 115.31 120.05 2k47 h LEU 53 Ca 0.11 0.00 0.26 0.00 0.84 0.00 0.00 57.88 59.09 2k47 h LEU 53 Cb -0.03 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 40.94 2k47 h LEU 53 CO -0.04 0.00 0.67 -0.07 -0.34 0.00 0.00 178.44 178.66 2k47 h LEU 54 N 0.00 0.27 -0.73 2.25 4.07 -1.20 -2.33 115.31 117.64 2k47 h LEU 54 Ca 0.37 0.04 0.16 0.00 0.08 0.00 0.00 57.88 58.53 2k47 h LEU 54 Cb 1.64 -0.01 -0.12 0.00 1.08 0.00 0.00 40.66 43.25 2k47 h LEU 54 CO -0.00 0.08 0.11 1.23 -1.08 0.00 0.00 178.44 178.77 2k47 h GLY 55 N 0.25 0.93 -0.52 0.83 0.00 -1.25 -2.53 103.07 100.78 2k47 h GLY 55 Ca 0.51 0.02 0.11 0.00 0.00 0.00 0.00 47.33 47.97 2k47 h GLY 55 CO -0.15 -0.23 -0.36 1.41 0.00 0.00 0.00 176.54 177.20 2k47 h LEU 56 N 0.20 -1.27 -1.75 3.11 3.38 -1.64 0.21 115.31 117.54 2k47 h LEU 56 Ca 0.41 0.24 0.05 0.00 0.09 0.00 0.00 57.88 58.67 2k47 h LEU 56 Cb 0.71 0.62 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 2k47 h LEU 56 CO -0.56 -0.31 0.26 0.03 0.09 0.00 0.00 178.44 177.95 2k47 h ARG 57 N -0.15 0.31 -0.07 1.13 3.08 -1.65 0.15 114.38 117.17 2k47 h ARG 57 Ca 0.24 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 2k47 h ARG 57 Cb 0.56 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 2k47 h ARG 57 CO -0.73 0.20 0.01 -0.92 -1.07 0.00 0.00 179.97 177.46 2k47 h TYR 58 N 0.32 0.13 0.00 3.04 3.20 -0.60 -2.80 116.97 120.26 2k47 h TYR 58 Ca 0.16 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2k47 h TYR 58 Cb 0.25 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.48 2k47 h TYR 58 CO -0.00 0.35 0.00 1.63 -1.64 0.00 0.00 178.16 178.50 2k47 n LYS 59 N -4.88 0.11 -2.60 1.82 4.76 -0.50 -4.94 118.16 111.93 2k47 n LYS 59 Ca -0.06 0.08 -0.07 0.00 -2.87 0.00 0.00 58.31 55.38 2k47 n LYS 59 Cb 0.17 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 31.89 2k47 n LYS 59 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k47 n LYS 60 N -1.43 -1.31 -0.86 1.97 4.76 0.43 -4.98 118.16 116.75 2k47 n LYS 60 Ca 0.08 0.70 -0.05 0.00 -2.87 0.00 0.00 58.31 56.16 2k47 n LYS 60 Cb 0.25 -4.28 -0.05 0.00 -1.84 0.00 0.00 35.03 29.11 2k47 n LYS 60 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2k47 n LEU 61 N -2.35 -0.71 0.23 -0.35 -0.00 -0.74 -4.97 117.00 108.11 2k47 n LEU 61 Ca -0.03 -1.44 0.16 0.00 -0.00 0.00 0.00 56.01 54.70 2k47 n LEU 61 Cb 0.56 0.00 0.78 0.00 -0.00 0.00 0.00 43.42 44.76 2k47 n LEU 61 CO 0.37 1.22 0.97 0.22 -0.00 0.00 0.00 177.39 180.17 2k47 h TYR 62 N 0.00 0.00 0.19 1.47 3.20 -1.92 0.17 116.97 120.08 2k47 h TYR 62 Ca -0.41 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.45 2k47 h TYR 62 Cb 1.15 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.42 2k47 h TYR 62 CO -0.14 0.00 -0.09 -0.97 -1.64 0.00 0.00 178.16 175.32 2k47 h ASN 63 N 0.00 -0.22 0.43 -2.11 -1.24 -1.93 -3.35 115.58 107.17 2k47 h ASN 63 Ca 0.00 -0.30 -0.05 0.00 0.71 0.00 0.00 56.30 56.67 2k47 h ASN 63 Cb 0.16 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.26 2k47 h ASN 63 CO 0.00 0.32 -1.61 0.00 -1.29 0.00 0.00 177.43 174.85 2k47 n GLN 64 N -4.95 0.64 -0.27 6.67 6.02 -1.18 -4.29 117.38 120.02 2k47 n GLN 64 Ca -0.07 -0.02 -0.06 0.00 -0.01 0.00 0.00 57.00 56.83 2k47 n GLN 64 Cb 0.25 -1.66 0.05 0.00 1.02 0.00 0.00 30.24 29.90 2k47 n GLN 64 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k47 h ALA 65 N 1.86 0.95 -0.19 -1.58 0.00 -1.14 0.43 119.26 119.59 2k47 h ALA 65 Ca -0.06 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 2k47 h ALA 65 Cb 1.16 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2k47 h ALA 65 CO 0.01 0.59 -0.38 -0.09 0.00 0.00 0.00 179.25 179.38 2k47 h ARG 66 N 1.06 0.42 0.17 0.00 2.43 -1.76 -1.71 114.38 114.99 2k47 h ARG 66 Ca 0.24 -0.20 -0.34 0.00 -0.81 0.00 0.00 59.98 58.88 2k47 h ARG 66 Cb 0.23 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2k47 h ARG 66 CO -0.02 0.74 -1.70 -0.39 -1.51 0.00 0.00 179.97 177.09 2k47 h VAL 67 N 0.35 0.93 -0.40 0.20 -1.51 -1.69 -3.34 116.25 110.79 2k47 h VAL 67 Ca 0.04 -2.47 -0.11 0.00 -1.23 0.00 0.00 66.70 62.92 2k47 h VAL 67 Cb 0.82 2.73 -0.01 0.00 -2.13 0.00 0.00 31.29 32.71 2k47 h VAL 67 CO 0.07 0.83 -0.19 0.11 -1.23 0.00 0.00 177.57 177.16 2k47 h LYS 68 N 0.01 0.84 -6.20 5.19 1.79 -0.20 -3.45 116.57 114.55 2k47 h LYS 68 Ca -0.34 -0.37 -0.50 0.00 -2.18 0.00 0.00 60.65 57.26 2k47 h LYS 68 Cb 2.02 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 32.60 2k47 h LYS 68 CO 0.14 1.00 -0.49 0.71 -1.08 0.00 0.00 179.45 179.73 2k47 s TYR 69 N -4.64 3.06 -0.96 -1.35 1.51 -0.64 -2.00 117.35 112.32 2k47 s TYR 69 Ca -0.12 -0.17 -0.21 0.00 -1.01 0.00 0.00 57.07 55.56 2k47 s TYR 69 Cb 0.11 -1.55 0.08 0.00 -0.11 0.00 0.00 41.96 40.49 2k47 s TYR 69 CO 0.84 0.40 1.30 0.45 -1.11 0.00 0.00 175.55 177.43 2k47 s SER 70 N -3.90 6.53 0.02 2.29 0.15 -0.87 -4.64 113.70 113.27 2k47 s SER 70 Ca 0.36 -1.63 -0.00 0.00 0.70 0.00 0.00 55.95 55.37 2k47 s SER 70 Cb -0.07 -2.50 -0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2k47 s SER 70 CO 0.26 -1.35 -0.01 0.18 1.20 0.00 0.00 173.24 173.52 2k47 n LEU 71 N 7.96 0.29 0.07 3.45 4.32 -1.26 -4.10 117.00 127.72 2k47 n LEU 71 Ca 0.27 0.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.30 2k47 n LEU 71 Cb 0.50 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 2k47 n LEU 71 CO 0.60 -0.55 -0.08 0.18 -1.22 0.00 0.00 177.39 176.31 2k47 n LEU 72 N -2.76 0.26 0.00 2.23 7.99 -1.26 -5.07 117.00 118.38 2k47 n LEU 72 Ca -0.00 0.22 0.00 0.00 -0.01 0.00 0.00 56.01 56.22 2k47 n LEU 72 Cb 0.01 0.05 0.00 0.00 -0.11 0.00 0.00 43.42 43.37 2k47 n LEU 72 CO 0.00 -0.60 0.00 -0.62 -1.51 0.00 0.00 177.39 174.67