#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 -0.23 0.32 4.04 2.15 -1.26 -4.94 116.67 116.75 2k47 s ASP 2 Ca 0.00 -0.05 0.00 0.00 0.43 0.00 0.00 52.55 52.93 2k47 s ASP 2 Cb 0.00 0.40 0.53 0.00 -0.30 0.00 0.00 42.92 43.55 2k47 s ASP 2 CO 0.00 -0.64 1.97 1.62 -0.17 0.00 0.00 175.17 177.95 2k47 h VAL 3 N 3.12 1.19 0.14 1.11 3.04 -0.78 0.22 116.25 124.28 2k47 h VAL 3 Ca -0.31 -0.41 -0.28 0.00 -1.01 0.00 0.00 66.70 64.68 2k47 h VAL 3 Cb 1.20 0.23 0.01 0.00 -2.01 0.00 0.00 31.29 30.72 2k47 h VAL 3 CO 0.44 0.20 -1.38 -0.25 -1.01 0.00 0.00 177.57 175.57 2k47 h TRP 4 N 0.93 0.55 0.28 3.17 2.91 -1.91 -3.36 115.95 118.53 2k47 h TRP 4 Ca 0.25 -0.40 -0.01 0.00 1.13 0.00 0.00 58.89 59.85 2k47 h TRP 4 Cb -0.04 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 28.59 2k47 h TRP 4 CO 0.00 1.54 -0.14 1.03 -1.03 0.00 0.00 178.44 179.84 2k47 h SER 5 N -0.21 -0.32 -3.40 2.65 0.87 -1.91 -3.33 113.55 107.89 2k47 h SER 5 Ca -0.28 -0.00 -0.77 0.00 -1.23 0.00 0.00 61.79 59.51 2k47 h SER 5 Cb 1.84 0.08 -0.24 0.00 -0.44 0.00 0.00 62.40 63.64 2k47 h SER 5 CO 0.11 -0.22 0.36 -0.76 -0.53 0.00 0.00 176.83 175.80 2k47 s LEU 6 N -10.10 6.26 -0.03 2.23 1.43 0.75 -4.77 118.68 114.44 2k47 s LEU 6 Ca -0.15 -2.66 0.05 0.00 -1.03 0.00 0.00 54.13 50.34 2k47 s LEU 6 Cb 0.05 -2.26 0.09 0.00 0.03 0.00 0.00 46.19 44.09 2k47 s LEU 6 CO 0.64 -0.66 1.05 -1.20 0.23 0.00 0.00 176.35 176.41 2k47 n SER 7 N 4.48 2.14 -1.84 2.29 7.64 -1.25 -4.62 113.62 122.45 2k47 n SER 7 Ca 0.18 -2.26 -0.17 0.00 1.01 0.00 0.00 58.87 57.63 2k47 n SER 7 Cb 0.46 -0.11 0.19 0.00 -1.01 0.00 0.00 64.21 63.73 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 -0.67 2.10 -3.80 1.43 4.76 -1.26 0.19 118.16 120.91 2k47 n LYS 8 Ca 0.04 -3.09 -0.36 0.00 -2.87 0.00 0.00 58.31 52.04 2k47 n LYS 8 Cb 0.35 -2.05 -0.12 0.00 -1.84 0.00 0.00 35.03 31.38 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 -3.31 3.21 0.65 -0.18 -4.23 -1.26 -5.02 115.64 105.50 2k47 s THR 9 Ca 0.53 -1.98 -0.09 0.00 -1.18 0.00 0.00 61.69 58.96 2k47 s THR 9 Cb 0.45 -3.17 0.01 0.00 1.34 0.00 0.00 72.50 71.14 2k47 s THR 9 CO 0.07 -0.62 1.01 -0.94 -0.54 0.00 0.00 174.62 173.60 2k47 s SER 10 N 1.70 5.52 0.03 3.99 1.04 -1.26 -4.31 113.70 120.41 2k47 s SER 10 Ca 0.07 0.95 0.03 0.00 0.48 0.00 0.00 55.95 57.47 2k47 s SER 10 Cb -0.22 -1.84 -0.02 0.00 0.10 0.00 0.00 66.02 64.04 2k47 s SER 10 CO -0.04 -1.21 -0.09 -0.32 0.98 0.00 0.00 173.24 172.56 2k47 s MET 11 N -5.19 0.61 -0.20 4.02 1.75 -0.95 -4.93 119.30 114.40 2k47 s MET 11 Ca 0.56 -0.61 -0.17 0.00 -1.25 0.00 0.00 55.69 54.23 2k47 s MET 11 Cb -0.11 -0.50 -0.04 0.00 2.84 0.00 0.00 34.83 37.03 2k47 s MET 11 CO 0.49 0.12 0.43 0.99 -0.65 0.00 0.00 175.02 176.40 2k47 s THR 12 N -0.91 5.17 0.04 10.11 2.01 -1.26 -3.35 115.64 127.45 2k47 s THR 12 Ca -0.04 0.78 -0.11 0.00 0.31 0.00 0.00 61.69 62.63 2k47 s THR 12 Cb -0.07 -3.76 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 2k47 s THR 12 CO 0.01 0.23 0.37 -0.36 -0.69 0.00 0.00 174.62 174.17 2k47 s PHE 13 N 1.41 3.63 -0.26 4.92 0.40 0.21 -4.93 117.98 123.36 2k47 s PHE 13 Ca 0.20 0.81 0.02 0.00 -0.60 0.00 0.00 56.93 57.36 2k47 s PHE 13 Cb -0.15 -2.16 0.05 0.00 0.51 0.00 0.00 43.02 41.27 2k47 s PHE 13 CO 0.09 0.58 -0.11 -1.14 0.70 0.00 0.00 175.22 175.34 2k47 s GLN 14 N -1.60 2.34 0.63 0.44 2.00 -1.26 -2.98 119.66 119.24 2k47 s GLN 14 Ca 0.29 -1.29 -0.19 0.00 -2.00 0.00 0.00 55.36 52.17 2k47 s GLN 14 Cb -0.14 -2.89 -0.02 0.00 0.80 0.00 0.00 33.01 30.76 2k47 s GLN 14 CO 0.16 -0.54 1.31 -2.14 -0.50 0.00 0.00 175.29 173.57 2k47 s PRO 15 N 1.14 2.63 0.07 1.67 0.02 -1.26 -1.07 135.00 138.20 2k47 s PRO 15 Ca -0.07 2.09 -0.12 0.00 0.02 0.00 0.00 61.00 62.92 2k47 s PRO 15 Cb -0.19 -1.90 -0.24 0.00 0.02 0.00 0.00 34.50 32.19 2k47 s PRO 15 CO -0.05 -1.55 1.17 0.87 -0.33 0.00 0.00 177.00 177.11 2k47 h LYS 16 N 0.67 0.61 -6.16 5.54 1.79 -1.90 -3.46 116.57 113.66 2k47 h LYS 16 Ca -0.51 -0.73 -0.57 0.00 -2.18 0.00 0.00 60.65 56.65 2k47 h LYS 16 Cb 1.33 0.23 -0.11 0.00 -1.58 0.00 0.00 32.23 32.10 2k47 h LYS 16 CO 0.54 1.31 -0.66 -1.59 -1.08 0.00 0.00 179.45 177.98 2k47 s LYS 17 N -3.15 2.13 0.28 3.15 0.00 -1.26 -5.04 119.74 115.85 2k47 s LYS 17 Ca -0.09 -1.57 -0.02 0.00 0.00 0.00 0.00 55.97 54.29 2k47 s LYS 17 Cb 0.07 -2.03 0.39 0.00 0.00 0.00 0.00 37.83 36.26 2k47 s LYS 17 CO 0.92 0.29 1.89 0.00 0.00 0.00 0.00 175.35 178.45 2k47 h ALA 18 N 1.93 1.29 -0.95 0.59 0.00 -2.03 -2.74 119.26 117.35 2k47 h ALA 18 Ca -0.43 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 54.49 2k47 h ALA 18 Cb 1.25 -0.29 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 2k47 h ALA 18 CO 0.62 0.56 0.57 0.66 0.00 0.00 0.00 179.25 181.65 2k47 h SER 19 N 1.00 0.78 -4.15 0.00 4.64 -2.00 -3.42 113.55 110.41 2k47 h SER 19 Ca 0.25 0.07 -0.48 0.00 -0.47 0.00 0.00 61.79 61.16 2k47 h SER 19 Cb 0.08 -0.08 0.04 0.00 -0.31 0.00 0.00 62.40 62.13 2k47 h SER 19 CO -0.03 0.37 0.38 -0.76 -0.87 0.00 0.00 176.83 175.91 2k47 s LEU 20 N -10.28 3.65 0.03 5.97 1.43 -1.04 -5.07 118.68 113.37 2k47 s LEU 20 Ca -0.12 1.80 0.07 0.00 -1.03 0.00 0.00 54.13 54.86 2k47 s LEU 20 Cb 0.22 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.88 2k47 s LEU 20 CO 0.80 -0.91 -0.20 0.00 0.23 0.00 0.00 176.35 176.26 2k47 s GLN 21 N -3.77 2.05 1.13 1.70 -2.07 -1.26 -4.82 119.66 112.61 2k47 s GLN 21 Ca 0.64 -0.98 -0.14 0.00 -1.82 0.00 0.00 55.36 53.05 2k47 s GLN 21 Cb -0.15 -2.14 0.22 0.00 -1.09 0.00 0.00 33.01 29.84 2k47 s GLN 21 CO 0.30 0.54 0.73 -2.30 -1.32 0.00 0.00 175.29 173.24 2k47 n PRO 22 N 1.73 -1.96 -3.96 9.60 -0.02 -1.26 -4.70 135.00 134.43 2k47 n PRO 22 Ca -0.16 -0.54 -0.10 0.00 -2.02 0.00 0.00 63.50 60.67 2k47 n PRO 22 Cb 0.52 -2.05 -0.12 0.00 -0.02 0.00 0.00 33.50 31.83 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 -5.29 2.17 -0.37 2.45 0.20 -1.16 -4.94 118.68 111.74 2k47 s LEU 23 Ca 0.65 -0.35 0.02 0.00 0.69 0.00 0.00 54.13 55.13 2k47 s LEU 23 Cb -0.22 0.04 0.15 0.00 -0.43 0.00 0.00 46.19 45.73 2k47 s LEU 23 CO 0.65 -0.20 0.29 -0.89 -0.29 0.00 0.00 176.35 175.91 2k47 s THR 24 N -1.01 0.02 0.13 3.68 2.01 -1.26 0.65 115.64 119.86 2k47 s THR 24 Ca -0.10 -1.68 0.05 0.00 0.31 0.00 0.00 61.69 60.27 2k47 s THR 24 Cb -0.07 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 2k47 s THR 24 CO -0.01 -0.91 -0.12 -0.51 -0.69 0.00 0.00 174.62 172.38 2k47 s ILE 25 N 0.97 1.25 0.39 1.82 1.10 -1.21 -4.86 121.20 120.65 2k47 s ILE 25 Ca 0.21 -1.81 0.08 0.00 -0.51 0.00 0.00 60.65 58.62 2k47 s ILE 25 Cb -0.16 -1.60 -0.07 0.00 0.15 0.00 0.00 42.46 40.79 2k47 s ILE 25 CO -0.04 -0.53 0.03 -0.55 -2.11 0.00 0.00 174.94 171.74 2k47 s SER 26 N -2.67 4.01 0.05 4.50 0.15 -1.26 -2.25 113.70 116.23 2k47 s SER 26 Ca 0.11 -1.23 -0.17 0.00 0.70 0.00 0.00 55.95 55.36 2k47 s SER 26 Cb -0.03 -0.43 -0.07 0.00 -1.71 0.00 0.00 66.02 63.79 2k47 s SER 26 CO 0.02 -0.39 1.27 -0.07 1.20 0.00 0.00 173.24 175.27 2k47 h LEU 27 N 1.75 -0.80 -1.23 3.45 3.38 -1.73 0.19 115.31 120.31 2k47 h LEU 27 Ca -0.43 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 2k47 h LEU 27 Cb 1.25 0.30 -0.03 0.00 0.09 0.00 0.00 40.66 42.27 2k47 h LEU 27 CO 0.75 -0.26 0.31 -0.78 0.09 0.00 0.00 178.44 178.55 2k47 h ASP 28 N -0.33 0.75 0.76 -0.43 3.58 -0.57 -1.28 116.42 118.90 2k47 h ASP 28 Ca 0.00 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2k47 h ASP 28 Cb 0.35 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2k47 h ASP 28 CO -0.17 0.62 0.00 1.21 -2.88 0.00 0.00 179.24 178.02 2k47 n GLU 29 N -4.37 0.00 0.00 0.28 4.07 -1.04 -3.26 120.64 116.33 2k47 n GLU 29 Ca 0.06 0.12 0.00 0.00 -0.06 0.00 0.00 57.16 57.27 2k47 n GLU 29 Cb 0.11 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 29.99 2k47 n GLU 29 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2k47 n LEU 30 N -1.50 1.82 -3.97 4.31 7.94 0.63 -4.78 117.00 121.45 2k47 n LEU 30 Ca 0.05 -1.82 -0.16 0.00 -1.11 0.00 0.00 56.01 52.97 2k47 n LEU 30 Cb 0.26 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.07 2k47 n LEU 30 CO 0.21 0.46 -0.41 -0.36 -1.11 0.00 0.00 177.39 176.18 2k47 s PHE 31 N -0.83 0.52 -0.14 1.96 0.08 -0.70 -4.94 117.98 113.94 2k47 s PHE 31 Ca 0.00 -0.13 0.21 0.00 0.12 0.00 0.00 56.93 57.13 2k47 s PHE 31 Cb 0.00 -0.34 0.45 0.00 -0.57 0.00 0.00 43.02 42.57 2k47 s PHE 31 CO 0.00 -0.01 1.16 0.45 -0.10 0.00 0.00 175.22 176.72 2k47 n SER 32 N 2.83 1.70 -3.62 1.36 2.88 -1.26 -4.82 113.62 112.69 2k47 n SER 32 Ca -0.14 -2.53 -0.12 0.00 -1.33 0.00 0.00 58.87 54.76 2k47 n SER 32 Cb 0.58 -0.39 -0.07 0.00 -0.75 0.00 0.00 64.21 63.58 2k47 n SER 32 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2k47 s SER 33 N -2.88 -0.57 0.01 -3.46 0.15 -1.26 -5.04 113.70 100.65 2k47 s SER 33 Ca 0.35 1.05 -0.25 0.00 0.70 0.00 0.00 55.95 57.79 2k47 s SER 33 Cb 0.37 1.04 -0.16 0.00 -1.71 0.00 0.00 66.02 65.55 2k47 s SER 33 CO -0.09 -0.23 1.24 -0.09 1.20 0.00 0.00 173.24 175.26 2k47 h ARG 34 N 4.30 -0.43 -0.53 5.44 2.43 -2.00 -2.15 114.38 121.44 2k47 h ARG 34 Ca -0.28 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 58.93 2k47 h ARG 34 Cb 1.17 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.79 2k47 h ARG 34 CO 0.12 -0.11 0.35 0.78 -1.51 0.00 0.00 179.97 179.60 2k47 h GLY 35 N -0.78 0.73 1.00 2.80 0.00 -2.00 -1.84 103.07 102.99 2k47 h GLY 35 Ca -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2k47 h GLY 35 CO 0.07 0.25 0.41 -2.09 0.00 0.00 0.00 176.54 175.19 2k47 h GLU 36 N 0.69 0.82 -0.97 4.80 4.81 -1.95 -2.05 114.58 120.74 2k47 h GLU 36 Ca 0.20 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.43 2k47 h GLU 36 Cb -0.03 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.10 2k47 h GLU 36 CO -0.05 0.55 0.62 0.35 -0.73 0.00 0.00 179.01 179.76 2k47 h PHE 37 N 0.84 1.16 0.20 0.92 3.04 -0.66 -2.25 116.94 120.19 2k47 h PHE 37 Ca 0.23 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.20 2k47 h PHE 37 Cb -0.09 -0.38 -0.01 0.00 2.56 0.00 0.00 35.95 38.03 2k47 h PHE 37 CO -0.03 0.64 -0.14 0.82 -2.02 0.00 0.00 178.31 177.58 2k47 h ILE 38 N 1.17 0.69 0.19 1.41 1.08 -1.03 -2.18 117.51 118.85 2k47 h ILE 38 Ca 0.40 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.86 2k47 h ILE 38 Cb 0.08 0.69 -0.00 0.00 -3.07 0.00 0.00 36.82 34.52 2k47 h ILE 38 CO -0.15 0.00 -0.16 -1.28 -0.69 0.00 0.00 178.15 175.88 2k47 h SER 39 N -0.34 -0.42 -0.84 1.72 0.87 -1.07 -2.92 113.55 110.55 2k47 h SER 39 Ca -0.01 0.03 0.31 0.00 -1.23 0.00 0.00 61.79 60.89 2k47 h SER 39 Cb 0.30 0.13 -0.10 0.00 -0.44 0.00 0.00 62.40 62.29 2k47 h SER 39 CO -0.00 -0.22 0.52 1.33 -0.53 0.00 0.00 176.83 177.92 2k47 n VAL 40 N -3.24 -0.21 0.00 2.23 0.24 -0.88 -4.62 118.33 111.84 2k47 n VAL 40 Ca -0.04 1.28 0.00 0.00 -2.04 0.00 0.00 64.34 63.54 2k47 n VAL 40 Cb 0.15 -2.09 0.00 0.00 -1.47 0.00 0.00 33.84 30.43 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 -1.29 0.58 2.98 7.63 0.00 -1.10 -4.60 105.19 109.39 2k47 n GLY 41 Ca 0.27 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.92 1.99 0.00 -0.02 0.00 -0.83 -4.90 107.32 102.65 2k47 s GLY 42 Ca 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 44.72 42.07 2k47 s GLY 42 CO 0.00 1.01 0.00 1.22 0.00 0.00 0.00 173.10 175.33 2k47 n ASP 43 N 4.02 0.00 0.04 1.64 9.92 -1.26 -4.31 116.55 126.60 2k47 n ASP 43 Ca 0.04 0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 2k47 n ASP 43 Cb 0.40 -0.15 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 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 2.32 -1.85 3.49 0.44 0.00 -1.26 -4.90 105.19 103.42 2k47 n GLY 44 Ca 0.00 0.47 -0.43 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.20 3.64 0.65 1.61 1.81 -1.26 -0.12 118.95 124.07 2k47 s ARG 45 Ca 0.00 -1.63 -0.05 0.00 -1.72 0.00 0.00 55.73 52.33 2k47 s ARG 45 Cb 0.00 -5.08 0.04 0.00 -0.45 0.00 0.00 34.95 29.46 2k47 s ARG 45 CO 0.00 -1.92 0.94 1.41 -0.68 0.00 0.00 175.30 175.06 2k47 s MET 46 N 3.35 2.49 0.00 3.54 1.75 -1.26 -4.99 119.30 124.18 2k47 s MET 46 Ca 0.38 -0.23 0.00 0.00 -1.25 0.00 0.00 55.69 54.59 2k47 s MET 46 Cb -0.03 -2.24 0.00 0.00 2.84 0.00 0.00 34.83 35.40 2k47 s MET 46 CO -0.09 -0.99 0.00 0.43 -0.65 0.00 0.00 175.02 173.73 2k47 n SER 47 N -2.73 0.00 0.04 1.11 7.64 -1.26 -4.91 113.62 113.50 2k47 n SER 47 Ca 0.07 0.06 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2k47 n SER 47 Cb 0.59 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 2k47 n SER 47 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2k47 n HIS 48 N -1.32 -2.03 0.20 1.43 -0.00 -1.26 -4.93 115.22 107.31 2k47 n HIS 48 Ca 0.00 0.26 0.06 0.00 0.46 0.00 0.00 57.72 58.49 2k47 n HIS 48 Cb 0.00 0.89 0.42 0.00 -0.12 0.00 0.00 29.99 31.19 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 0.26 1.57 1.79 -1.98 -3.22 116.57 115.00 2k47 h LYS 49 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 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 0.33 -0.13 0.93 -1.08 0.00 0.00 179.45 179.50 2k47 h GLU 50 N 0.00 -0.34 -0.31 3.15 5.08 -1.98 -2.66 114.58 117.52 2k47 h GLU 50 Ca -0.00 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2k47 h GLU 50 Cb 0.69 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.93 2k47 h GLU 50 CO 0.04 -0.07 -0.44 0.00 -1.00 0.00 0.00 179.01 177.55 2k47 h ALA 51 N 0.07 -0.51 -0.37 3.43 0.00 -1.90 -1.51 119.26 118.47 2k47 h ALA 51 Ca -0.04 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2k47 h ALA 51 Cb 0.43 0.88 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2k47 h ALA 51 CO 0.06 -0.90 0.18 0.82 0.00 0.00 0.00 179.25 179.41 2k47 h ILE 52 N -0.39 0.99 -0.78 0.00 1.08 -1.64 -2.45 117.51 114.31 2k47 h ILE 52 Ca 0.11 -0.13 0.23 0.00 -0.39 0.00 0.00 64.86 64.68 2k47 h ILE 52 Cb 0.60 0.57 -0.03 0.00 -3.07 0.00 0.00 36.82 34.89 2k47 h ILE 52 CO -0.52 0.07 0.63 0.25 -0.69 0.00 0.00 178.15 177.89 2k47 h LEU 53 N 0.38 0.00 -1.77 1.44 5.85 -0.91 -0.39 115.31 119.91 2k47 h LEU 53 Ca 0.15 0.00 0.27 0.00 0.84 0.00 0.00 57.88 59.14 2k47 h LEU 53 Cb 0.06 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 2k47 h LEU 53 CO -0.10 0.00 0.68 -0.07 -0.34 0.00 0.00 178.44 178.61 2k47 h LEU 54 N 0.00 0.18 -0.79 2.25 4.07 -1.03 -2.06 115.31 117.92 2k47 h LEU 54 Ca 0.37 0.03 0.17 0.00 0.08 0.00 0.00 57.88 58.53 2k47 h LEU 54 Cb 1.63 -0.00 -0.11 0.00 1.08 0.00 0.00 40.66 43.25 2k47 h LEU 54 CO -0.00 0.05 0.26 1.23 -1.08 0.00 0.00 178.44 178.90 2k47 h GLY 55 N 0.16 1.19 -0.15 0.83 0.00 -1.25 -1.76 103.07 102.09 2k47 h GLY 55 Ca 0.50 -0.09 0.15 0.00 0.00 0.00 0.00 47.33 47.88 2k47 h GLY 55 CO -0.10 -0.20 0.03 1.41 0.00 0.00 0.00 176.54 177.68 2k47 h LEU 56 N 0.34 -0.24 -1.48 3.11 3.38 -1.60 0.21 115.31 119.03 2k47 h LEU 56 Ca 0.46 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.59 2k47 h LEU 56 Cb 0.79 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2k47 h LEU 56 CO -0.50 -0.12 0.31 0.03 0.09 0.00 0.00 178.44 178.26 2k47 h ARG 57 N 0.14 0.66 -0.01 1.13 2.47 -1.50 0.12 114.38 117.39 2k47 h ARG 57 Ca 0.37 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 59.04 2k47 h ARG 57 Cb 0.61 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.79 2k47 h ARG 57 CO -0.57 0.45 0.00 -0.92 0.56 0.00 0.00 179.97 179.50 2k47 h TYR 58 N 0.68 0.02 0.00 3.04 3.20 -0.53 -2.87 116.97 120.51 2k47 h TYR 58 Ca 0.18 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2k47 h TYR 58 Cb -0.05 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.21 2k47 h TYR 58 CO 0.00 0.24 0.00 1.63 -1.64 0.00 0.00 178.16 178.39 2k47 n LYS 59 N -4.97 0.55 -2.86 1.82 4.76 -0.53 -4.95 118.16 111.99 2k47 n LYS 59 Ca -0.07 0.01 -0.05 0.00 -2.87 0.00 0.00 58.31 55.32 2k47 n LYS 59 Cb 0.13 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.85 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 -1.21 -1.41 -0.81 1.97 4.76 0.31 -4.98 118.16 116.79 2k47 n LYS 60 Ca 0.16 1.08 -0.04 0.00 -2.87 0.00 0.00 58.31 56.64 2k47 n LYS 60 Cb 0.20 -5.07 -0.04 0.00 -1.84 0.00 0.00 35.03 28.28 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 -2.17 -0.63 0.13 -0.35 -0.00 -0.53 -4.97 117.00 108.48 2k47 n LEU 61 Ca -0.02 -1.29 0.09 0.00 -0.00 0.00 0.00 56.01 54.79 2k47 n LEU 61 Cb 0.54 0.00 0.48 0.00 -0.00 0.00 0.00 43.42 44.44 2k47 n LEU 61 CO 0.46 1.15 0.78 0.00 -0.00 0.00 0.00 177.39 179.77 2k47 n TYR 62 N 0.00 0.61 0.02 1.47 9.36 -1.23 -0.75 117.16 126.64 2k47 n TYR 62 Ca -0.18 0.31 -0.02 0.00 3.32 0.00 0.00 57.90 61.33 2k47 n TYR 62 Cb 0.54 -1.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.24 2k47 n TYR 62 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 2k47 h ASN 63 N 0.00 -0.11 0.20 2.98 2.35 -1.93 -3.39 115.58 115.68 2k47 h ASN 63 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2k47 h ASN 63 Cb 0.02 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.42 2k47 h ASN 63 CO 0.00 0.21 -0.63 0.00 -1.65 0.00 0.00 177.43 175.36 2k47 n GLN 64 N -3.96 0.33 -0.06 0.81 6.02 -1.19 -4.38 117.38 114.95 2k47 n GLN 64 Ca -0.02 -0.24 -0.13 0.00 -0.01 0.00 0.00 57.00 56.60 2k47 n GLN 64 Cb 0.05 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 29.75 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 3.26 0.22 -0.16 -1.58 0.00 -1.15 0.20 119.26 120.05 2k47 h ALA 65 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2k47 h ALA 65 Cb 0.54 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2k47 h ALA 65 CO 0.00 0.07 -0.15 -0.09 0.00 0.00 0.00 179.25 179.08 2k47 h ARG 66 N -0.01 0.25 0.14 0.00 2.43 -1.76 -1.72 114.38 113.71 2k47 h ARG 66 Ca 0.03 -0.06 -0.35 0.00 -0.81 0.00 0.00 59.98 58.79 2k47 h ARG 66 Cb 0.63 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2k47 h ARG 66 CO 0.03 0.41 -1.80 -0.24 -1.51 0.00 0.00 179.97 176.86 2k47 h VAL 67 N 0.24 0.85 0.00 0.20 3.04 -1.75 -3.36 116.25 115.47 2k47 h VAL 67 Ca 0.05 -2.51 -0.02 0.00 -1.01 0.00 0.00 66.70 63.21 2k47 h VAL 67 Cb 0.41 2.65 -0.00 0.00 -2.01 0.00 0.00 31.29 32.34 2k47 h VAL 67 CO 0.02 0.85 -0.07 0.50 -1.01 0.00 0.00 177.57 177.86 2k47 h LYS 68 N 0.08 0.00 -5.38 4.17 1.63 -0.55 -3.45 116.57 113.08 2k47 h LYS 68 Ca -0.35 0.00 -0.49 0.00 -0.85 0.00 0.00 60.65 58.95 2k47 h LYS 68 Cb 2.06 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 33.55 2k47 h LYS 68 CO 0.14 0.07 -0.63 0.71 -3.45 0.00 0.00 179.45 176.29 2k47 s TYR 69 N -3.66 2.01 -0.80 1.91 1.51 -0.65 -3.12 117.35 114.55 2k47 s TYR 69 Ca 0.01 -0.82 -0.23 0.00 -1.01 0.00 0.00 57.07 55.02 2k47 s TYR 69 Cb 0.09 -1.26 0.07 0.00 -0.11 0.00 0.00 41.96 40.75 2k47 s TYR 69 CO 0.58 0.16 1.17 0.45 -1.11 0.00 0.00 175.55 176.80 2k47 s SER 70 N -3.49 6.32 0.00 2.29 0.15 -0.24 -4.72 113.70 114.02 2k47 s SER 70 Ca 0.33 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 55.84 2k47 s SER 70 Cb 0.07 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2k47 s SER 70 CO 0.14 -1.49 0.00 0.18 1.20 0.00 0.00 173.24 173.28 2k47 n LEU 71 N 8.15 0.00 -4.43 3.45 4.32 -1.26 -4.14 117.00 123.09 2k47 n LEU 71 Ca 0.11 0.00 -0.39 0.00 -0.02 0.00 0.00 56.01 55.71 2k47 n LEU 71 Cb 0.48 -0.01 -0.12 0.00 -1.62 0.00 0.00 43.42 42.16 2k47 n LEU 71 CO 0.64 -0.27 -0.21 -0.76 -1.22 0.00 0.00 177.39 175.56 2k47 s LEU 72 N -3.65 4.12 0.00 2.23 2.01 -1.26 -5.06 118.68 117.07 2k47 s LEU 72 Ca 0.00 -0.57 0.00 0.00 0.01 0.00 0.00 54.13 53.57 2k47 s LEU 72 Cb 0.00 -1.99 0.00 0.00 0.01 0.00 0.00 46.19 44.21 2k47 s LEU 72 CO 0.00 -0.21 0.21 -0.62 1.01 0.00 0.00 176.35 176.75