#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 -0.27 0.27 4.04 1.01 -1.26 -4.94 116.67 115.51 2k47 s ASP 2 Ca 0.00 -0.41 -0.01 0.00 0.71 0.00 0.00 52.55 52.84 2k47 s ASP 2 Cb 0.00 0.55 0.36 0.00 1.01 0.00 0.00 42.92 44.84 2k47 s ASP 2 CO 0.00 -1.00 1.75 1.62 0.21 0.00 0.00 175.17 177.76 2k47 h VAL 3 N 2.23 1.24 0.06 -1.27 3.04 -0.91 -1.55 116.25 119.08 2k47 h VAL 3 Ca -0.30 -1.05 -0.25 0.00 -1.01 0.00 0.00 66.70 64.08 2k47 h VAL 3 Cb 1.26 0.98 0.01 0.00 -2.01 0.00 0.00 31.29 31.54 2k47 h VAL 3 CO 0.40 0.36 -1.09 -0.25 -1.01 0.00 0.00 177.57 175.98 2k47 h TRP 4 N 0.66 0.63 0.06 3.17 2.91 -1.90 -3.31 115.95 118.17 2k47 h TRP 4 Ca 0.12 -0.39 -0.00 0.00 1.13 0.00 0.00 58.89 59.75 2k47 h TRP 4 Cb 0.50 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.09 2k47 h TRP 4 CO 0.02 1.24 -0.03 0.77 -1.03 0.00 0.00 178.44 179.41 2k47 h SER 5 N 0.18 -0.07 -3.60 2.65 0.02 -1.92 -3.36 113.55 107.46 2k47 h SER 5 Ca -0.11 -0.15 -0.77 0.00 -0.84 0.00 0.00 61.79 59.91 2k47 h SER 5 Cb 1.76 0.02 -0.26 0.00 0.14 0.00 0.00 62.40 64.05 2k47 h SER 5 CO 0.19 0.11 -0.06 -0.76 -1.14 0.00 0.00 176.83 175.18 2k47 s LEU 6 N -9.85 6.43 -0.04 5.07 1.43 -0.60 -4.80 118.68 116.32 2k47 s LEU 6 Ca -0.14 -2.39 0.05 0.00 -1.03 0.00 0.00 54.13 50.62 2k47 s LEU 6 Cb 0.04 -2.17 0.08 0.00 0.03 0.00 0.00 46.19 44.17 2k47 s LEU 6 CO 0.65 -0.65 0.93 -1.20 0.23 0.00 0.00 176.35 176.31 2k47 n SER 7 N 4.37 1.27 -0.01 2.29 7.64 -1.26 -4.71 113.62 123.20 2k47 n SER 7 Ca 0.04 -2.08 -0.03 0.00 1.01 0.00 0.00 58.87 57.81 2k47 n SER 7 Cb 0.44 -0.16 -0.12 0.00 -1.01 0.00 0.00 64.21 63.36 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 -0.55 0.64 -1.77 1.43 4.76 -1.26 -0.43 118.16 120.98 2k47 n LYS 8 Ca 0.04 0.15 -0.41 0.00 -2.87 0.00 0.00 58.31 55.22 2k47 n LYS 8 Cb 0.50 -1.71 -0.03 0.00 -1.84 0.00 0.00 35.03 31.95 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 -2.81 3.20 0.77 -0.18 -4.23 -1.26 -4.73 115.64 106.41 2k47 s THR 9 Ca -0.05 0.18 -0.09 0.00 -1.18 0.00 0.00 61.69 60.55 2k47 s THR 9 Cb 0.08 -3.33 0.10 0.00 1.34 0.00 0.00 72.50 70.69 2k47 s THR 9 CO 0.83 -0.26 1.10 -0.44 -0.54 0.00 0.00 174.62 175.31 2k47 s SER 10 N 8.54 4.36 0.02 3.99 0.01 -1.26 -4.51 113.70 124.84 2k47 s SER 10 Ca 0.89 0.36 0.02 0.00 1.31 0.00 0.00 55.95 58.52 2k47 s SER 10 Cb -0.23 -0.82 -0.01 0.00 0.21 0.00 0.00 66.02 65.16 2k47 s SER 10 CO 0.30 -1.91 -0.06 -0.32 0.41 0.00 0.00 173.24 171.67 2k47 s MET 11 N -5.41 0.43 -0.12 12.44 1.75 -1.04 -4.91 119.30 122.43 2k47 s MET 11 Ca 0.64 -0.45 -0.16 0.00 -1.25 0.00 0.00 55.69 54.47 2k47 s MET 11 Cb -0.09 -0.28 -0.05 0.00 2.84 0.00 0.00 34.83 37.25 2k47 s MET 11 CO 0.47 0.06 0.39 0.99 -0.65 0.00 0.00 175.02 176.28 2k47 s THR 12 N -0.76 5.22 0.01 10.11 2.01 -1.26 -3.21 115.64 127.76 2k47 s THR 12 Ca -0.05 0.76 -0.13 0.00 0.31 0.00 0.00 61.69 62.59 2k47 s THR 12 Cb -0.06 -3.72 -0.06 0.00 0.01 0.00 0.00 72.50 68.67 2k47 s THR 12 CO 0.00 0.39 0.38 -0.36 -0.69 0.00 0.00 174.62 174.34 2k47 s PHE 13 N 0.30 3.68 -0.33 4.92 0.40 0.14 -4.92 117.98 122.18 2k47 s PHE 13 Ca 0.22 0.90 0.03 0.00 -0.60 0.00 0.00 56.93 57.48 2k47 s PHE 13 Cb -0.14 -2.22 0.10 0.00 0.51 0.00 0.00 43.02 41.26 2k47 s PHE 13 CO 0.08 0.62 0.05 -1.14 0.70 0.00 0.00 175.22 175.53 2k47 s GLN 14 N -1.28 1.45 0.44 0.44 2.00 -1.26 -3.42 119.66 118.03 2k47 s GLN 14 Ca 0.25 -1.77 -0.24 0.00 -2.00 0.00 0.00 55.36 51.60 2k47 s GLN 14 Cb -0.16 -3.08 -0.09 0.00 0.80 0.00 0.00 33.01 30.48 2k47 s GLN 14 CO 0.14 -0.92 1.14 -0.35 -0.50 0.00 0.00 175.29 174.80 2k47 n PRO 15 N 4.32 1.58 0.01 1.67 -0.04 -1.26 -1.16 135.00 140.11 2k47 n PRO 15 Ca 0.02 0.57 -0.18 0.00 -0.04 0.00 0.00 63.50 63.87 2k47 n PRO 15 Cb 0.42 -2.24 -0.10 0.00 -0.04 0.00 0.00 33.50 31.55 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 1.68 0.59 -6.34 0.54 1.79 -1.72 -3.45 116.57 109.65 2k47 h LYS 16 Ca -0.47 -0.57 -0.47 0.00 -2.18 0.00 0.00 60.65 56.96 2k47 h LYS 16 Cb 1.32 0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 32.12 2k47 h LYS 16 CO 0.58 1.19 -0.28 0.15 -1.08 0.00 0.00 179.45 180.01 2k47 s LYS 17 N -3.41 2.61 0.17 3.15 3.01 -1.26 -5.04 119.74 118.96 2k47 s LYS 17 Ca -0.12 -1.46 -0.04 0.00 -1.01 0.00 0.00 55.97 53.34 2k47 s LYS 17 Cb 0.06 -2.56 0.03 0.00 -1.01 0.00 0.00 37.83 34.35 2k47 s LYS 17 CO 0.87 -0.35 1.43 0.00 0.51 0.00 0.00 175.35 177.81 2k47 h ALA 18 N 0.72 0.57 -0.94 5.17 0.00 -2.01 -3.21 119.26 119.56 2k47 h ALA 18 Ca -0.39 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 53.96 2k47 h ALA 18 Cb 1.28 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 2k47 h ALA 18 CO 0.50 0.72 0.62 1.03 0.00 0.00 0.00 179.25 182.12 2k47 h SER 19 N 0.39 1.07 -4.09 0.00 0.87 -1.99 -3.43 113.55 106.37 2k47 h SER 19 Ca -0.02 -0.03 -0.52 0.00 -1.23 0.00 0.00 61.79 60.00 2k47 h SER 19 Cb 1.25 -0.27 0.10 0.00 -0.44 0.00 0.00 62.40 63.04 2k47 h SER 19 CO 0.13 0.77 0.46 -0.76 -0.53 0.00 0.00 176.83 176.89 2k47 s LEU 20 N -10.05 3.70 -0.02 2.23 1.43 -1.21 -5.05 118.68 109.70 2k47 s LEU 20 Ca -0.12 2.30 0.08 0.00 -1.03 0.00 0.00 54.13 55.36 2k47 s LEU 20 Cb 0.18 -4.59 -0.02 0.00 0.03 0.00 0.00 46.19 41.79 2k47 s LEU 20 CO 0.81 -1.44 -0.26 -1.58 0.23 0.00 0.00 176.35 174.11 2k47 s GLN 21 N -3.32 2.13 1.21 1.70 0.74 -1.26 -4.79 119.66 116.07 2k47 s GLN 21 Ca 0.76 -0.93 -0.17 0.00 0.05 0.00 0.00 55.36 55.07 2k47 s GLN 21 Cb -0.28 -2.05 0.24 0.00 1.10 0.00 0.00 33.01 32.03 2k47 s GLN 21 CO 0.31 0.55 0.58 -2.30 -0.55 0.00 0.00 175.29 173.88 2k47 n PRO 22 N 2.47 -2.69 -3.72 1.67 -0.02 -1.26 -4.73 135.00 126.71 2k47 n PRO 22 Ca -0.16 -0.77 -0.14 0.00 -2.02 0.00 0.00 63.50 60.40 2k47 n PRO 22 Cb 0.51 -1.89 -0.08 0.00 -0.02 0.00 0.00 33.50 32.02 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 -4.72 0.61 -0.30 2.45 0.20 -1.22 -4.91 118.68 110.78 2k47 s LEU 23 Ca 0.61 0.17 -0.02 0.00 0.69 0.00 0.00 54.13 55.58 2k47 s LEU 23 Cb -0.17 1.48 0.12 0.00 -0.43 0.00 0.00 46.19 47.19 2k47 s LEU 23 CO 0.61 -0.49 0.21 -0.89 -0.29 0.00 0.00 176.35 175.51 2k47 s THR 24 N -1.39 -0.18 0.04 3.68 2.01 -1.26 0.28 115.64 118.83 2k47 s THR 24 Ca -0.13 -0.79 -0.11 0.00 0.31 0.00 0.00 61.69 60.97 2k47 s THR 24 Cb -0.04 -0.98 0.01 0.00 0.01 0.00 0.00 72.50 71.50 2k47 s THR 24 CO 0.05 -0.66 0.25 -0.51 -0.69 0.00 0.00 174.62 173.05 2k47 s ILE 25 N 2.03 0.10 0.50 1.82 1.10 -1.20 -4.88 121.20 120.67 2k47 s ILE 25 Ca 0.11 -0.80 0.03 0.00 -0.51 0.00 0.00 60.65 59.48 2k47 s ILE 25 Cb -0.16 -0.94 -0.01 0.00 0.15 0.00 0.00 42.46 41.50 2k47 s ILE 25 CO -0.29 -0.44 0.14 -0.55 -2.11 0.00 0.00 174.94 171.69 2k47 s SER 26 N -2.11 4.30 0.06 4.50 0.15 -1.26 -2.49 113.70 116.84 2k47 s SER 26 Ca -0.05 -1.45 -0.19 0.00 0.70 0.00 0.00 55.95 54.96 2k47 s SER 26 Cb -0.01 0.32 -0.08 0.00 -1.71 0.00 0.00 66.02 64.54 2k47 s SER 26 CO -0.04 -0.87 1.31 -0.07 1.20 0.00 0.00 173.24 174.77 2k47 h LEU 27 N 1.20 -0.90 -1.14 3.45 3.38 -1.77 0.17 115.31 119.70 2k47 h LEU 27 Ca -0.42 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 2k47 h LEU 27 Cb 1.30 0.33 -0.03 0.00 0.09 0.00 0.00 40.66 42.35 2k47 h LEU 27 CO 0.69 -0.30 0.40 -0.78 0.09 0.00 0.00 178.44 178.53 2k47 h ASP 28 N -0.41 0.88 1.16 -0.43 3.58 -1.06 -1.50 116.42 118.64 2k47 h ASP 28 Ca -0.00 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2k47 h ASP 28 Cb 0.42 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2k47 h ASP 28 CO -0.17 0.71 0.00 -0.33 -2.88 0.00 0.00 179.24 176.57 2k47 h GLU 29 N 1.00 0.00 -0.19 0.28 4.39 -1.66 -3.18 114.58 115.22 2k47 h GLU 29 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 2k47 h GLU 29 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2k47 h GLU 29 CO -0.04 0.00 0.00 -0.11 -1.16 0.00 0.00 179.01 177.70 2k47 n LEU 30 N -2.55 2.44 -4.01 1.33 7.94 0.56 -4.83 117.00 117.89 2k47 n LEU 30 Ca 0.03 -1.89 -0.18 0.00 -1.11 0.00 0.00 56.01 52.86 2k47 n LEU 30 Cb 0.34 -0.12 -0.14 0.00 0.53 0.00 0.00 43.42 44.02 2k47 n LEU 30 CO 0.26 0.60 -0.42 -0.36 -1.11 0.00 0.00 177.39 176.36 2k47 s PHE 31 N -0.95 0.72 -0.07 1.96 0.08 -0.65 -4.96 117.98 114.11 2k47 s PHE 31 Ca 0.13 -0.15 0.18 0.00 0.12 0.00 0.00 56.93 57.21 2k47 s PHE 31 Cb 0.07 -0.46 0.36 0.00 -0.57 0.00 0.00 43.02 42.42 2k47 s PHE 31 CO 0.09 -0.01 1.16 -1.13 -0.10 0.00 0.00 175.22 175.23 2k47 n SER 32 N 2.81 1.17 -3.66 1.36 3.41 -1.26 -4.82 113.62 112.63 2k47 n SER 32 Ca -0.14 -2.62 -0.13 0.00 -0.26 0.00 0.00 58.87 55.72 2k47 n SER 32 Cb 0.57 -0.36 -0.08 0.00 -0.26 0.00 0.00 64.21 64.08 2k47 n SER 32 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2k47 s SER 33 N -2.29 -0.69 0.03 4.04 0.01 -1.26 -5.04 113.70 108.50 2k47 s SER 33 Ca 0.31 1.29 -0.24 0.00 1.31 0.00 0.00 55.95 58.62 2k47 s SER 33 Cb 0.33 1.29 -0.17 0.00 0.21 0.00 0.00 66.02 67.68 2k47 s SER 33 CO -0.11 -0.22 1.48 0.03 0.41 0.00 0.00 173.24 174.83 2k47 h ARG 34 N 5.38 0.03 -0.37 12.44 -0.00 -2.00 -2.22 114.38 127.63 2k47 h ARG 34 Ca -0.29 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.98 59.15 2k47 h ARG 34 Cb 1.17 -0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.12 2k47 h ARG 34 CO 0.11 0.30 0.09 0.78 0.00 0.00 0.00 179.97 181.25 2k47 h GLY 35 N -0.24 0.59 1.07 0.04 0.00 -2.00 -2.03 103.07 100.50 2k47 h GLY 35 Ca 0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 2k47 h GLY 35 CO 0.00 0.29 0.55 -2.09 0.00 0.00 0.00 176.54 175.29 2k47 h GLU 36 N 0.54 1.23 -0.65 4.80 4.57 -1.93 -2.11 114.58 121.04 2k47 h GLU 36 Ca 0.13 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2k47 h GLU 36 Cb 0.21 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 2k47 h GLU 36 CO -0.00 0.86 0.40 0.35 -1.18 0.00 0.00 179.01 179.43 2k47 h PHE 37 N 1.25 0.85 0.18 0.92 3.04 -0.75 -1.99 116.94 120.44 2k47 h PHE 37 Ca 0.33 0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.29 2k47 h PHE 37 Cb -0.06 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.15 2k47 h PHE 37 CO 0.00 0.57 -0.23 0.82 -2.02 0.00 0.00 178.31 177.46 2k47 h ILE 38 N 0.88 0.50 0.25 1.41 1.08 -1.10 -1.95 117.51 118.58 2k47 h ILE 38 Ca 0.23 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.69 2k47 h ILE 38 Cb -0.04 0.50 -0.00 0.00 -3.07 0.00 0.00 36.82 34.21 2k47 h ILE 38 CO -0.04 0.00 -0.16 0.77 -0.69 0.00 0.00 178.15 178.03 2k47 h SER 39 N -0.46 -0.40 -0.62 1.72 4.64 -1.27 -3.08 113.55 114.08 2k47 h SER 39 Ca 0.01 0.02 0.25 0.00 -0.47 0.00 0.00 61.79 61.61 2k47 h SER 39 Cb 0.45 0.12 -0.11 0.00 -0.31 0.00 0.00 62.40 62.54 2k47 h SER 39 CO -0.09 -0.24 0.30 1.33 -0.87 0.00 0.00 176.83 177.27 2k47 n VAL 40 N -3.21 -0.26 0.00 0.95 0.24 -0.76 -4.62 118.33 110.67 2k47 n VAL 40 Ca -0.05 1.27 0.00 0.00 -2.04 0.00 0.00 64.34 63.53 2k47 n VAL 40 Cb 0.16 -2.05 0.00 0.00 -1.47 0.00 0.00 33.84 30.48 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 -1.18 0.36 3.01 7.63 0.00 -1.16 -4.52 105.19 109.33 2k47 n GLY 41 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.70 2.16 0.00 -0.02 0.00 -0.74 -4.85 107.32 103.18 2k47 s GLY 42 Ca 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 44.72 41.87 2k47 s GLY 42 CO 0.00 0.99 0.00 1.22 0.00 0.00 0.00 173.10 175.31 2k47 n ASP 43 N 3.84 0.00 0.00 1.64 9.92 -1.26 -4.33 116.55 126.35 2k47 n ASP 43 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 2k47 n ASP 43 Cb 0.38 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.86 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 2.52 -1.11 3.53 0.44 0.00 -1.26 -4.88 105.19 104.43 2k47 n GLY 44 Ca 0.00 0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.69 3.33 0.62 1.61 3.00 -1.26 -0.26 118.95 125.30 2k47 s ARG 45 Ca 0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 55.73 55.45 2k47 s ARG 45 Cb 0.00 -4.09 0.00 0.00 0.00 0.00 0.00 34.95 30.86 2k47 s ARG 45 CO 0.00 -1.71 0.97 1.41 0.00 0.00 0.00 175.30 175.97 2k47 s MET 46 N 4.57 3.01 -0.01 3.54 1.75 -1.26 -5.00 119.30 125.91 2k47 s MET 46 Ca 0.34 0.24 -0.01 0.00 -1.25 0.00 0.00 55.69 55.01 2k47 s MET 46 Cb -0.11 -2.18 -0.00 0.00 2.84 0.00 0.00 34.83 35.38 2k47 s MET 46 CO 0.19 -0.76 -0.01 1.03 -0.65 0.00 0.00 175.02 174.81 2k47 h SER 47 N -0.32 0.00 0.00 1.11 0.87 -1.97 -3.50 113.55 109.74 2k47 h SER 47 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2k47 h SER 47 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2k47 h SER 47 CO 0.62 0.05 0.00 1.57 -0.53 0.00 0.00 176.83 178.54 2k47 n HIS 48 N -2.41 0.00 0.02 2.24 -0.00 -1.26 -4.95 115.22 108.85 2k47 n HIS 48 Ca -0.00 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.05 2k47 n HIS 48 Cb 0.02 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.75 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 0.10 0.12 1.57 1.79 -1.99 -3.39 116.57 114.77 2k47 h LYS 49 Ca 0.00 -0.17 0.01 0.00 -2.18 0.00 0.00 60.65 58.30 2k47 h LYS 49 Cb 0.00 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 2k47 h LYS 49 CO 0.00 0.84 -0.14 1.49 -1.08 0.00 0.00 179.45 180.56 2k47 h GLU 50 N 0.03 -0.29 -0.58 3.15 4.81 -1.98 -2.28 114.58 117.44 2k47 h GLU 50 Ca -0.24 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.12 2k47 h GLU 50 Cb 1.97 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 31.30 2k47 h GLU 50 CO 0.11 -0.19 -0.30 0.00 -0.73 0.00 0.00 179.01 177.90 2k47 h ALA 51 N 0.55 0.03 -0.24 2.92 0.00 -1.89 -0.54 119.26 120.09 2k47 h ALA 51 Ca 0.01 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2k47 h ALA 51 Cb 0.29 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2k47 h ALA 51 CO -0.05 -0.63 0.07 0.82 0.00 0.00 0.00 179.25 179.45 2k47 h ILE 52 N -0.14 1.20 -0.82 0.00 1.08 -1.75 -2.90 117.51 114.18 2k47 h ILE 52 Ca 0.24 -0.65 0.21 0.00 -0.39 0.00 0.00 64.86 64.27 2k47 h ILE 52 Cb 0.54 1.18 -0.05 0.00 -3.07 0.00 0.00 36.82 35.42 2k47 h ILE 52 CO -0.67 0.21 0.56 0.25 -0.69 0.00 0.00 178.15 177.82 2k47 h LEU 53 N 0.21 0.20 -0.99 1.44 5.85 -0.55 -1.69 115.31 119.78 2k47 h LEU 53 Ca 0.08 0.02 0.35 0.00 0.84 0.00 0.00 57.88 59.17 2k47 h LEU 53 Cb 0.26 -0.02 -0.17 0.00 0.37 0.00 0.00 40.66 41.10 2k47 h LEU 53 CO -0.00 0.08 0.47 -0.07 -0.34 0.00 0.00 178.44 178.58 2k47 h LEU 54 N 0.20 0.27 -0.91 2.25 4.07 -0.99 -1.27 115.31 118.94 2k47 h LEU 54 Ca 0.41 0.23 0.25 0.00 0.08 0.00 0.00 57.88 58.85 2k47 h LEU 54 Cb 1.28 0.25 -0.14 0.00 1.08 0.00 0.00 40.66 43.13 2k47 h LEU 54 CO -0.08 -0.30 0.33 1.23 -1.08 0.00 0.00 178.44 178.54 2k47 h GLY 55 N 0.13 1.53 -0.06 0.83 0.00 -1.49 -0.46 103.07 103.55 2k47 h GLY 55 Ca 0.76 -0.10 0.20 0.00 0.00 0.00 0.00 47.33 48.18 2k47 h GLY 55 CO -0.72 -0.37 0.42 1.41 0.00 0.00 0.00 176.54 177.28 2k47 h LEU 56 N 0.27 0.41 -1.02 3.11 3.38 -1.45 0.21 115.31 120.22 2k47 h LEU 56 Ca 0.59 0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.63 2k47 h LEU 56 Cb 1.21 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 2k47 h LEU 56 CO -0.62 0.07 -0.02 0.03 0.09 0.00 0.00 178.44 178.00 2k47 h ARG 57 N 0.48 0.68 0.10 1.13 2.47 -1.26 0.23 114.38 118.22 2k47 h ARG 57 Ca 0.53 -0.17 -0.00 0.00 -1.26 0.00 0.00 59.98 59.08 2k47 h ARG 57 Cb 0.94 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 2k47 h ARG 57 CO -0.47 0.71 -0.05 -0.92 0.56 0.00 0.00 179.97 179.80 2k47 h TYR 58 N 0.64 -0.13 0.00 3.04 3.20 -0.61 -3.06 116.97 120.06 2k47 h TYR 58 Ca 0.13 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2k47 h TYR 58 Cb 0.42 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.74 2k47 h TYR 58 CO 0.02 0.18 0.00 1.63 -1.64 0.00 0.00 178.16 178.35 2k47 n LYS 59 N -5.01 0.15 -2.44 1.82 4.76 -0.29 -4.96 118.16 112.19 2k47 n LYS 59 Ca -0.08 0.22 -0.01 0.00 -2.87 0.00 0.00 58.31 55.57 2k47 n LYS 59 Cb 0.20 -1.71 0.01 0.00 -1.84 0.00 0.00 35.03 31.68 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 -1.98 -0.86 -0.89 1.97 5.02 0.67 -5.00 118.16 117.09 2k47 n LYS 60 Ca 0.05 1.02 -0.04 0.00 -2.02 0.00 0.00 58.31 57.32 2k47 n LYS 60 Cb 0.32 -4.05 -0.04 0.00 -0.02 0.00 0.00 35.03 31.25 2k47 n LYS 60 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2k47 n LEU 61 N -1.59 -0.66 0.32 -0.35 -0.00 -0.39 -4.97 117.00 109.35 2k47 n LEU 61 Ca -0.01 -1.34 0.20 0.00 -0.00 0.00 0.00 56.01 54.86 2k47 n LEU 61 Cb 0.51 0.02 1.10 0.00 -0.00 0.00 0.00 43.42 45.05 2k47 n LEU 61 CO 0.32 1.16 1.17 0.22 -0.00 0.00 0.00 177.39 180.26 2k47 h TYR 62 N 0.03 0.00 0.21 1.47 3.20 -1.94 -0.51 116.97 119.42 2k47 h TYR 62 Ca -0.36 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.50 2k47 h TYR 62 Cb 1.09 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.36 2k47 h TYR 62 CO -0.12 0.00 -0.10 -0.91 -1.64 0.00 0.00 178.16 175.39 2k47 h ASN 63 N 0.00 -0.24 0.14 -2.11 4.21 -1.93 -3.34 115.58 112.31 2k47 h ASN 63 Ca 0.00 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.52 2k47 h ASN 63 Cb 0.04 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 2k47 h ASN 63 CO -0.00 -0.14 -0.45 0.00 -1.29 0.00 0.00 177.43 175.54 2k47 n GLN 64 N -2.89 0.79 -0.00 0.81 3.00 -1.21 -4.31 117.38 113.58 2k47 n GLN 64 Ca -0.03 -0.57 -0.15 0.00 -0.01 0.00 0.00 57.00 56.23 2k47 n GLN 64 Cb 0.11 -1.49 -0.04 0.00 0.00 0.00 0.00 30.24 28.83 2k47 n GLN 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k47 h ALA 65 N 3.61 0.41 0.00 -1.58 0.00 -1.24 0.69 119.26 121.15 2k47 h ALA 65 Ca 0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 2k47 h ALA 65 Cb 0.60 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2k47 h ALA 65 CO 0.00 0.71 -0.19 -0.09 0.00 0.00 0.00 179.25 179.68 2k47 h ARG 66 N 0.46 0.00 0.06 0.00 2.43 -1.75 -2.65 114.38 112.94 2k47 h ARG 66 Ca -0.04 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.75 2k47 h ARG 66 Cb 1.36 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.87 2k47 h ARG 66 CO 0.15 0.19 -2.17 1.33 -1.51 0.00 0.00 179.97 177.96 2k47 n VAL 67 N -3.22 1.64 0.07 0.20 0.24 -1.20 -3.02 118.33 113.04 2k47 n VAL 67 Ca 0.02 -0.57 -0.03 0.00 -2.04 0.00 0.00 64.34 61.71 2k47 n VAL 67 Cb 0.51 -1.64 0.19 0.00 -1.47 0.00 0.00 33.84 31.43 2k47 n VAL 67 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2k47 h LYS 68 N -0.08 0.29 -6.15 7.34 1.79 -0.96 -3.45 116.57 115.36 2k47 h LYS 68 Ca -0.50 -0.15 -0.55 0.00 -2.18 0.00 0.00 60.65 57.27 2k47 h LYS 68 Cb 1.92 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 32.48 2k47 h LYS 68 CO -0.03 0.69 -0.60 0.71 -1.08 0.00 0.00 179.45 179.14 2k47 s TYR 69 N -4.09 2.71 -0.95 -1.35 1.51 -1.00 -1.91 117.35 112.27 2k47 s TYR 69 Ca -0.05 -0.28 -0.24 0.00 -1.01 0.00 0.00 57.07 55.49 2k47 s TYR 69 Cb 0.13 -1.36 0.02 0.00 -0.11 0.00 0.00 41.96 40.64 2k47 s TYR 69 CO 0.78 0.52 1.57 0.45 -1.11 0.00 0.00 175.55 177.77 2k47 s SER 70 N -3.74 6.09 0.00 2.29 0.15 -0.31 -4.60 113.70 113.59 2k47 s SER 70 Ca 0.34 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 55.88 2k47 s SER 70 Cb -0.05 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2k47 s SER 70 CO 0.21 -1.87 0.00 0.18 1.20 0.00 0.00 173.24 172.96 2k47 n LEU 71 N 10.32 0.02 0.00 3.45 4.32 -1.26 -4.42 117.00 129.43 2k47 n LEU 71 Ca 0.32 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.31 2k47 n LEU 71 Cb 0.50 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 2k47 n LEU 71 CO 0.65 -0.51 -0.25 0.18 -1.22 0.00 0.00 177.39 176.24 2k47 n LEU 72 N -2.53 0.29 -0.69 2.23 7.99 -1.25 -5.10 117.00 117.93 2k47 n LEU 72 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 56.01 56.13 2k47 n LEU 72 Cb 0.00 0.00 0.34 0.00 -0.11 0.00 0.00 43.42 43.65 2k47 n LEU 72 CO 0.00 -0.15 0.77 -0.62 -1.51 0.00 0.00 177.39 175.87