#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 4.27 0.29 6.43 1.01 -1.26 -4.84 116.67 122.57 2k47 s ASP 2 Ca 0.00 -1.11 0.03 0.00 0.71 0.00 0.00 52.55 52.18 2k47 s ASP 2 Cb 0.00 -0.48 0.43 0.00 1.01 0.00 0.00 42.92 43.88 2k47 s ASP 2 CO 0.00 -0.46 1.73 1.62 0.21 0.00 0.00 175.17 178.28 2k47 h VAL 3 N 1.57 1.26 0.17 -1.27 3.04 -0.02 -1.43 116.25 119.57 2k47 h VAL 3 Ca -0.43 -1.23 -0.31 0.00 -1.01 0.00 0.00 66.70 63.71 2k47 h VAL 3 Cb 1.25 1.33 0.03 0.00 -2.01 0.00 0.00 31.29 31.89 2k47 h VAL 3 CO 0.71 0.39 -1.33 -0.25 -1.01 0.00 0.00 177.57 176.09 2k47 h TRP 4 N 0.42 0.99 0.23 3.17 2.91 -1.91 -3.33 115.95 118.42 2k47 h TRP 4 Ca 0.06 -0.66 -0.01 0.00 1.13 0.00 0.00 58.89 59.42 2k47 h TRP 4 Cb 0.64 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.23 2k47 h TRP 4 CO 0.02 1.50 -0.11 0.77 -1.03 0.00 0.00 178.44 179.59 2k47 h SER 5 N 0.23 -0.26 -3.34 2.65 0.02 -1.91 -3.33 113.55 107.61 2k47 h SER 5 Ca -0.21 0.00 -0.76 0.00 -0.84 0.00 0.00 61.79 59.98 2k47 h SER 5 Cb 2.01 0.07 -0.24 0.00 0.14 0.00 0.00 62.40 64.38 2k47 h SER 5 CO 0.25 -0.18 0.40 -0.76 -1.14 0.00 0.00 176.83 175.40 2k47 s LEU 6 N -10.13 6.18 -0.00 5.07 1.43 -0.55 -4.76 118.68 115.93 2k47 s LEU 6 Ca -0.15 -2.65 0.00 0.00 -1.03 0.00 0.00 54.13 50.31 2k47 s LEU 6 Cb 0.05 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 44.00 2k47 s LEU 6 CO 0.65 -0.67 0.99 -1.20 0.23 0.00 0.00 176.35 176.34 2k47 n SER 7 N 4.57 1.96 -1.94 2.29 7.64 -1.25 -4.68 113.62 122.21 2k47 n SER 7 Ca 0.19 -1.99 -0.19 0.00 1.01 0.00 0.00 58.87 57.89 2k47 n SER 7 Cb 0.46 -0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.84 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 -0.50 2.15 -3.99 1.43 4.76 -1.26 -0.01 118.16 120.75 2k47 n LYS 8 Ca 0.00 -3.08 -0.33 0.00 -2.87 0.00 0.00 58.31 52.03 2k47 n LYS 8 Cb 0.26 -2.08 -0.14 0.00 -1.84 0.00 0.00 35.03 31.22 2k47 n LYS 8 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2k47 s THR 9 N -3.34 2.54 0.59 -0.18 -1.32 -1.26 -5.02 115.64 107.64 2k47 s THR 9 Ca 0.54 -1.70 -0.03 0.00 -1.21 0.00 0.00 61.69 59.28 2k47 s THR 9 Cb 0.46 -2.57 0.03 0.00 -1.51 0.00 0.00 72.50 68.91 2k47 s THR 9 CO 0.07 -0.20 0.86 -0.94 -2.21 0.00 0.00 174.62 172.20 2k47 s SER 10 N 1.18 5.33 -0.01 8.08 1.04 -1.26 -4.27 113.70 123.78 2k47 s SER 10 Ca -0.03 0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.77 2k47 s SER 10 Cb -0.20 -1.28 0.01 0.00 0.10 0.00 0.00 66.02 64.65 2k47 s SER 10 CO -0.04 -1.17 -0.03 -0.32 0.98 0.00 0.00 173.24 172.66 2k47 s MET 11 N -4.92 0.31 -0.21 4.02 1.75 -1.03 -4.93 119.30 114.28 2k47 s MET 11 Ca 0.56 -0.07 -0.21 0.00 -1.25 0.00 0.00 55.69 54.72 2k47 s MET 11 Cb -0.10 -0.35 -0.02 0.00 2.84 0.00 0.00 34.83 37.20 2k47 s MET 11 CO 0.42 0.01 0.64 0.99 -0.65 0.00 0.00 175.02 176.43 2k47 s THR 12 N 0.25 5.00 0.02 10.11 2.01 -1.26 -3.57 115.64 128.21 2k47 s THR 12 Ca -0.02 1.19 -0.01 0.00 0.31 0.00 0.00 61.69 63.16 2k47 s THR 12 Cb -0.05 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 2k47 s THR 12 CO -0.01 0.08 0.17 -0.36 -0.69 0.00 0.00 174.62 173.81 2k47 s PHE 13 N 2.10 3.47 -0.14 4.92 0.08 0.17 -4.94 117.98 123.64 2k47 s PHE 13 Ca 0.28 0.27 0.01 0.00 0.12 0.00 0.00 56.93 57.61 2k47 s PHE 13 Cb -0.16 -1.77 -0.00 0.00 -0.57 0.00 0.00 43.02 40.52 2k47 s PHE 13 CO 0.10 0.60 -0.17 -1.14 -0.10 0.00 0.00 175.22 174.51 2k47 s GLN 14 N -2.15 3.20 0.45 0.44 0.74 -1.26 -2.53 119.66 118.55 2k47 s GLN 14 Ca 0.30 -0.77 -0.24 0.00 0.05 0.00 0.00 55.36 54.70 2k47 s GLN 14 Cb -0.13 -2.57 -0.07 0.00 1.10 0.00 0.00 33.01 31.34 2k47 s GLN 14 CO 0.22 0.06 1.21 -1.25 -0.55 0.00 0.00 175.29 174.97 2k47 s PRO 15 N 0.70 3.76 0.10 1.67 0.04 -1.26 -1.09 135.00 138.91 2k47 s PRO 15 Ca -0.08 1.90 -0.13 0.00 0.04 0.00 0.00 61.00 62.74 2k47 s PRO 15 Cb -0.16 -2.48 -0.16 0.00 0.04 0.00 0.00 34.50 31.74 2k47 s PRO 15 CO 0.02 -0.59 1.30 0.87 0.04 0.00 0.00 177.00 178.64 2k47 h LYS 16 N 2.16 0.80 -5.97 4.56 1.79 -1.88 -3.46 116.57 114.57 2k47 h LYS 16 Ca -0.49 -0.66 -0.56 0.00 -2.18 0.00 0.00 60.65 56.75 2k47 h LYS 16 Cb 1.25 0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 31.99 2k47 h LYS 16 CO 0.61 1.26 -0.36 -1.59 -1.08 0.00 0.00 179.45 178.29 2k47 s LYS 17 N -3.74 2.31 0.12 3.15 -2.85 -1.26 -5.06 119.74 112.42 2k47 s LYS 17 Ca -0.10 -1.88 -0.10 0.00 -1.00 0.00 0.00 55.97 52.89 2k47 s LYS 17 Cb 0.09 -2.14 -0.10 0.00 -2.06 0.00 0.00 37.83 33.62 2k47 s LYS 17 CO 0.91 -0.42 1.36 0.00 0.10 0.00 0.00 175.35 177.29 2k47 h ALA 18 N 0.95 0.40 -0.94 0.59 0.00 -2.02 -3.23 119.26 115.01 2k47 h ALA 18 Ca -0.39 -0.58 0.09 0.00 0.00 0.00 0.00 54.91 54.03 2k47 h ALA 18 Cb 1.28 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 2k47 h ALA 18 CO 0.60 0.69 0.61 0.66 0.00 0.00 0.00 179.25 181.81 2k47 h SER 19 N 0.53 0.88 -4.09 0.00 4.64 -1.99 -3.42 113.55 110.10 2k47 h SER 19 Ca -0.03 0.02 -0.48 0.00 -0.47 0.00 0.00 61.79 60.83 2k47 h SER 19 Cb 1.33 -0.16 0.04 0.00 -0.31 0.00 0.00 62.40 63.30 2k47 h SER 19 CO 0.15 0.52 0.40 -0.76 -0.87 0.00 0.00 176.83 176.26 2k47 s LEU 20 N -10.05 3.79 0.01 5.97 1.43 -1.22 -5.07 118.68 113.54 2k47 s LEU 20 Ca -0.11 1.98 0.08 0.00 -1.03 0.00 0.00 54.13 55.05 2k47 s LEU 20 Cb 0.21 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.84 2k47 s LEU 20 CO 0.80 -0.93 -0.26 -1.10 0.23 0.00 0.00 176.35 175.10 2k47 s GLN 21 N -3.33 1.97 0.73 1.70 -0.21 -1.26 -4.75 119.66 114.51 2k47 s GLN 21 Ca 0.68 -1.02 -0.16 0.00 0.02 0.00 0.00 55.36 54.89 2k47 s GLN 21 Cb -0.18 -2.02 -0.02 0.00 1.00 0.00 0.00 33.01 31.79 2k47 s GLN 21 CO 0.23 0.54 0.72 -2.30 -2.12 0.00 0.00 175.29 172.36 2k47 n PRO 22 N 2.08 0.36 -4.73 2.91 -0.02 -1.26 -4.68 135.00 129.66 2k47 n PRO 22 Ca -0.16 0.17 -0.27 0.00 -2.02 0.00 0.00 63.50 61.22 2k47 n PRO 22 Cb 0.51 -2.00 -0.17 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 -1.53 1.75 -0.38 2.45 0.20 -1.05 -4.92 118.68 115.20 2k47 s LEU 23 Ca 0.69 -0.37 0.01 0.00 0.69 0.00 0.00 54.13 55.14 2k47 s LEU 23 Cb -0.34 -0.98 0.13 0.00 -0.43 0.00 0.00 46.19 44.57 2k47 s LEU 23 CO 0.55 0.06 0.20 -0.89 -0.29 0.00 0.00 176.35 175.98 2k47 s THR 24 N 0.61 0.82 0.10 3.68 2.01 -1.26 0.43 115.64 122.03 2k47 s THR 24 Ca -0.15 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 59.85 2k47 s THR 24 Cb -0.16 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 2k47 s THR 24 CO 0.05 -0.89 -0.02 -0.51 -0.69 0.00 0.00 174.62 172.56 2k47 s ILE 25 N 0.88 0.42 0.47 1.82 2.07 -1.23 -4.86 121.20 120.77 2k47 s ILE 25 Ca 0.16 -1.89 0.04 0.00 -1.41 0.00 0.00 60.65 57.54 2k47 s ILE 25 Cb -0.23 -1.76 -0.04 0.00 0.13 0.00 0.00 42.46 40.56 2k47 s ILE 25 CO -0.05 -0.78 0.01 -0.55 -1.91 0.00 0.00 174.94 171.66 2k47 s SER 26 N -3.02 4.02 0.04 4.50 0.15 -1.26 -2.45 113.70 115.67 2k47 s SER 26 Ca 0.14 -1.52 -0.18 0.00 0.70 0.00 0.00 55.95 55.09 2k47 s SER 26 Cb 0.07 0.11 -0.09 0.00 -1.71 0.00 0.00 66.02 64.39 2k47 s SER 26 CO -0.04 -0.67 1.28 -0.07 1.20 0.00 0.00 173.24 174.94 2k47 h LEU 27 N 1.54 -0.68 -1.60 3.45 3.38 -1.73 -0.94 115.31 118.73 2k47 h LEU 27 Ca -0.44 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 2k47 h LEU 27 Cb 1.28 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 2k47 h LEU 27 CO 0.77 -0.36 0.17 -0.78 0.09 0.00 0.00 178.44 178.33 2k47 h ASP 28 N -0.56 0.38 0.01 -0.43 3.58 -0.77 -0.70 116.42 117.93 2k47 h ASP 28 Ca -0.04 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2k47 h ASP 28 Cb 0.47 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.42 2k47 h ASP 28 CO 0.01 0.32 -0.00 -0.62 -2.88 0.00 0.00 179.24 176.06 2k47 n GLU 29 N -4.45 1.02 -0.00 0.28 4.71 -1.14 -3.62 120.64 117.44 2k47 n GLU 29 Ca 0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 2k47 n GLU 29 Cb 0.10 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.03 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 -0.96 0.83 -3.99 -4.62 7.94 -0.34 -4.74 117.00 111.12 2k47 n LEU 30 Ca 0.24 -0.83 -0.17 0.00 -1.11 0.00 0.00 56.01 54.14 2k47 n LEU 30 Cb 0.12 -0.00 -0.14 0.00 0.53 0.00 0.00 43.42 43.93 2k47 n LEU 30 CO 0.18 0.21 -0.41 -0.36 -1.11 0.00 0.00 177.39 175.90 2k47 s PHE 31 N -0.42 0.62 -0.14 1.96 0.08 -0.80 -4.97 117.98 114.31 2k47 s PHE 31 Ca 0.00 -0.16 0.20 0.00 0.12 0.00 0.00 56.93 57.09 2k47 s PHE 31 Cb 0.00 -0.39 0.45 0.00 -0.57 0.00 0.00 43.02 42.51 2k47 s PHE 31 CO 0.00 -0.02 1.17 0.43 -0.10 0.00 0.00 175.22 176.70 2k47 n SER 32 N 2.74 1.74 -3.64 1.36 7.64 -1.26 -4.86 113.62 117.34 2k47 n SER 32 Ca -0.14 -2.60 -0.11 0.00 1.01 0.00 0.00 58.87 57.03 2k47 n SER 32 Cb 0.57 -0.40 -0.07 0.00 -1.01 0.00 0.00 64.21 63.31 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 -2.88 -0.53 0.11 6.43 0.15 -1.26 -5.03 113.70 110.69 2k47 s SER 33 Ca 0.35 1.03 -0.17 0.00 0.70 0.00 0.00 55.95 57.86 2k47 s SER 33 Cb 0.37 1.04 -0.05 0.00 -1.71 0.00 0.00 66.02 65.67 2k47 s SER 33 CO -0.09 -0.18 1.57 0.08 1.20 0.00 0.00 173.24 175.82 2k47 h ARG 34 N 4.41 0.55 -0.26 5.44 0.11 -2.00 -2.60 114.38 120.02 2k47 h ARG 34 Ca -0.28 -0.16 -0.09 0.00 0.10 0.00 0.00 59.98 59.55 2k47 h ARG 34 Cb 1.17 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 32.18 2k47 h ARG 34 CO 0.09 0.65 -0.23 0.78 0.10 0.00 0.00 179.97 181.36 2k47 h GLY 35 N 0.37 0.54 0.86 0.08 0.00 -2.00 -2.76 103.07 100.15 2k47 h GLY 35 Ca 0.10 -0.43 0.04 0.00 0.00 0.00 0.00 47.33 47.03 2k47 h GLY 35 CO 0.01 0.39 0.52 -2.09 0.00 0.00 0.00 176.54 175.38 2k47 h GLU 36 N 0.44 0.98 -0.70 4.80 4.57 -1.92 -1.91 114.58 120.84 2k47 h GLU 36 Ca 0.07 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2k47 h GLU 36 Cb 0.65 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 2k47 h GLU 36 CO 0.05 0.65 0.45 0.35 -1.18 0.00 0.00 179.01 179.33 2k47 h PHE 37 N 1.01 0.89 0.03 0.92 3.57 -1.19 -1.92 116.94 120.26 2k47 h PHE 37 Ca 0.33 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.87 2k47 h PHE 37 Cb 0.03 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.43 2k47 h PHE 37 CO -0.03 0.58 -0.19 0.82 -2.23 0.00 0.00 178.31 177.26 2k47 h ILE 38 N 0.95 0.55 0.31 1.41 1.08 -1.18 -1.91 117.51 118.72 2k47 h ILE 38 Ca 0.26 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.71 2k47 h ILE 38 Cb -0.09 0.55 0.00 0.00 -3.07 0.00 0.00 36.82 34.22 2k47 h ILE 38 CO -0.05 0.00 -0.16 -1.28 -0.69 0.00 0.00 178.15 175.96 2k47 h SER 39 N -0.32 -0.39 -0.68 1.72 0.87 -1.22 -3.11 113.55 110.42 2k47 h SER 39 Ca 0.05 0.02 0.27 0.00 -1.23 0.00 0.00 61.79 60.90 2k47 h SER 39 Cb 0.38 0.11 -0.11 0.00 -0.44 0.00 0.00 62.40 62.34 2k47 h SER 39 CO -0.16 -0.27 0.38 1.33 -0.53 0.00 0.00 176.83 177.59 2k47 n VAL 40 N -3.23 -0.25 0.00 2.23 0.24 -0.74 -4.61 118.33 111.97 2k47 n VAL 40 Ca -0.05 1.27 0.00 0.00 -2.04 0.00 0.00 64.34 63.52 2k47 n VAL 40 Cb 0.17 -2.07 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 -1.19 0.40 2.86 7.63 0.00 -1.15 -4.51 105.19 109.23 2k47 n GLY 41 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.61 2.06 0.00 -0.02 0.00 -0.73 -4.85 107.32 103.17 2k47 s GLY 42 Ca 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 44.72 41.83 2k47 s GLY 42 CO 0.00 1.22 0.00 1.22 0.00 0.00 0.00 173.10 175.54 2k47 n ASP 43 N 3.45 0.00 0.00 1.64 9.92 -1.26 -4.31 116.55 125.99 2k47 n ASP 43 Ca 0.06 0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 2k47 n ASP 43 Cb 0.34 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.75 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 2.41 -1.14 3.44 0.44 0.00 -1.26 -4.91 105.19 104.17 2k47 n GLY 44 Ca 0.00 0.29 -0.44 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 -0.59 3.29 0.70 1.61 3.00 -1.26 0.70 118.95 126.40 2k47 s ARG 45 Ca 0.00 -1.26 -0.10 0.00 0.00 0.00 0.00 55.73 54.37 2k47 s ARG 45 Cb 0.00 -4.51 0.03 0.00 0.00 0.00 0.00 34.95 30.47 2k47 s ARG 45 CO 0.00 -1.77 1.07 1.41 0.00 0.00 0.00 175.30 176.01 2k47 s MET 46 N 3.36 2.62 0.00 3.54 1.75 -1.26 -4.97 119.30 124.34 2k47 s MET 46 Ca 0.25 0.22 0.00 0.00 -1.25 0.00 0.00 55.69 54.91 2k47 s MET 46 Cb -0.13 -2.07 0.00 0.00 2.84 0.00 0.00 34.83 35.47 2k47 s MET 46 CO 0.02 -1.10 0.00 0.45 -0.65 0.00 0.00 175.02 173.73 2k47 n SER 47 N -2.98 0.00 0.01 1.11 2.88 -1.26 -4.96 113.62 108.42 2k47 n SER 47 Ca 0.07 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 2k47 n SER 47 Cb 0.58 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 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 -1.87 -1.49 0.05 0.66 -0.00 -1.26 -4.95 115.22 106.35 2k47 n HIS 48 Ca 0.00 0.04 -0.04 0.00 0.46 0.00 0.00 57.72 58.18 2k47 n HIS 48 Cb 0.00 0.38 0.17 0.00 -0.12 0.00 0.00 29.99 30.42 2k47 n HIS 48 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 2k47 h LYS 49 N 0.00 0.39 0.31 1.57 3.11 -2.00 -3.27 116.57 116.67 2k47 h LYS 49 Ca 0.00 -0.19 -0.01 0.00 -2.81 0.00 0.00 60.65 57.64 2k47 h LYS 49 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 2k47 h LYS 49 CO 0.00 0.73 -0.22 1.49 -2.81 0.00 0.00 179.45 178.64 2k47 h GLU 50 N 0.32 -0.51 -0.55 1.90 4.57 -1.99 -2.59 114.58 115.74 2k47 h GLU 50 Ca 0.03 0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.34 2k47 h GLU 50 Cb 0.86 0.12 -0.11 0.00 -0.16 0.00 0.00 28.75 29.46 2k47 h GLU 50 CO 0.07 -0.34 -0.38 0.00 -1.18 0.00 0.00 179.01 177.18 2k47 h ALA 51 N 0.12 -0.20 -0.22 2.92 0.00 -1.89 -1.17 119.26 118.81 2k47 h ALA 51 Ca -0.02 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2k47 h ALA 51 Cb 0.46 0.85 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2k47 h ALA 51 CO 0.00 -0.76 0.14 0.82 0.00 0.00 0.00 179.25 179.46 2k47 h ILE 52 N -0.21 1.08 -0.70 0.00 1.08 -1.67 -2.74 117.51 114.34 2k47 h ILE 52 Ca 0.20 -0.17 0.20 0.00 -0.39 0.00 0.00 64.86 64.70 2k47 h ILE 52 Cb 0.56 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 35.07 2k47 h ILE 52 CO -0.66 0.07 0.57 0.25 -0.69 0.00 0.00 178.15 177.70 2k47 h LEU 53 N 0.29 0.00 -1.31 1.44 5.85 -0.81 -1.54 115.31 119.22 2k47 h LEU 53 Ca 0.08 0.00 0.35 0.00 0.84 0.00 0.00 57.88 59.15 2k47 h LEU 53 Cb -0.00 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 40.91 2k47 h LEU 53 CO -0.02 0.00 0.73 -0.07 -0.34 0.00 0.00 178.44 178.74 2k47 h LEU 54 N 0.00 0.37 -0.79 2.25 4.07 -1.12 -1.78 115.31 118.31 2k47 h LEU 54 Ca 0.33 0.13 0.18 0.00 0.08 0.00 0.00 57.88 58.61 2k47 h LEU 54 Cb 1.48 0.09 -0.12 0.00 1.08 0.00 0.00 40.66 43.19 2k47 h LEU 54 CO -0.00 -0.08 0.20 1.23 -1.08 0.00 0.00 178.44 178.71 2k47 h GLY 55 N 0.24 1.14 -0.05 0.83 0.00 -1.48 -1.27 103.07 102.48 2k47 h GLY 55 Ca 0.72 -0.04 0.19 0.00 0.00 0.00 0.00 47.33 48.20 2k47 h GLY 55 CO -0.41 -0.25 0.37 1.41 0.00 0.00 0.00 176.54 177.66 2k47 h LEU 56 N 0.26 0.34 -1.21 3.11 3.38 -1.56 0.19 115.31 119.82 2k47 h LEU 56 Ca 0.46 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.53 2k47 h LEU 56 Cb 0.84 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 2k47 h LEU 56 CO -0.56 0.06 0.15 0.03 0.09 0.00 0.00 178.44 178.21 2k47 h ARG 57 N 0.45 0.70 -0.15 1.13 2.47 -1.40 0.30 114.38 117.87 2k47 h ARG 57 Ca 0.51 -0.12 -0.02 0.00 -1.26 0.00 0.00 59.98 59.09 2k47 h ARG 57 Cb 0.89 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 29.08 2k47 h ARG 57 CO -0.47 0.61 0.01 -0.92 0.56 0.00 0.00 179.97 179.75 2k47 h TYR 58 N 0.68 0.28 0.00 3.04 3.20 -0.61 -3.01 116.97 120.56 2k47 h TYR 58 Ca 0.16 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2k47 h TYR 58 Cb 0.21 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.40 2k47 h TYR 58 CO 0.01 0.47 -0.05 1.63 -1.64 0.00 0.00 178.16 178.58 2k47 n LYS 59 N -4.77 0.07 -2.51 1.82 4.76 -0.60 -4.97 118.16 111.95 2k47 n LYS 59 Ca -0.05 0.05 -0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2k47 n LYS 59 Cb 0.20 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 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 -1.69 -0.86 -0.75 1.97 5.02 0.95 -5.00 118.16 117.81 2k47 n LYS 60 Ca 0.06 1.15 -0.04 0.00 -2.02 0.00 0.00 58.31 57.46 2k47 n LYS 60 Cb 0.36 -4.27 -0.04 0.00 -0.02 0.00 0.00 35.03 31.06 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 -1.50 -0.55 0.23 -0.35 -0.00 -0.60 -4.98 117.00 109.25 2k47 n LEU 61 Ca -0.00 -1.19 0.15 0.00 -0.00 0.00 0.00 56.01 54.97 2k47 n LEU 61 Cb 0.50 0.00 0.81 0.00 -0.00 0.00 0.00 43.42 44.73 2k47 n LEU 61 CO 0.34 1.10 0.97 0.22 -0.00 0.00 0.00 177.39 180.02 2k47 h TYR 62 N 0.00 0.00 0.02 1.47 3.20 -1.94 0.06 116.97 119.78 2k47 h TYR 62 Ca -0.31 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.56 2k47 h TYR 62 Cb 1.02 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.29 2k47 h TYR 62 CO -0.13 0.00 -0.01 -0.97 -1.64 0.00 0.00 178.16 175.41 2k47 h ASN 63 N 0.00 -0.02 1.06 -2.11 -1.24 -1.93 -3.37 115.58 107.97 2k47 h ASN 63 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2k47 h ASN 63 Cb 0.08 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.14 2k47 h ASN 63 CO 0.00 0.10 -0.62 -0.61 -1.29 0.00 0.00 177.43 175.01 2k47 h GLN 64 N -0.27 0.00 -0.39 6.67 5.75 -1.98 -3.36 115.11 121.53 2k47 h GLN 64 Ca -0.00 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.41 2k47 h GLN 64 Cb 0.02 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 2k47 h GLN 64 CO 0.00 0.00 -0.08 0.00 -2.65 0.00 0.00 178.83 176.11 2k47 h ALA 65 N 2.31 0.53 0.00 3.38 0.00 -1.20 0.80 119.26 125.09 2k47 h ALA 65 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2k47 h ALA 65 Cb 0.84 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2k47 h ALA 65 CO 0.00 0.39 -0.16 -0.09 0.00 0.00 0.00 179.25 179.39 2k47 h ARG 66 N 0.55 0.00 0.06 0.00 2.43 -1.72 -2.48 114.38 113.22 2k47 h ARG 66 Ca 0.10 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.89 2k47 h ARG 66 Cb 0.59 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 2k47 h ARG 66 CO 0.04 0.16 -2.23 1.33 -1.51 0.00 0.00 179.97 177.75 2k47 n VAL 67 N -3.46 1.63 0.08 0.20 0.24 -1.13 -4.12 118.33 111.78 2k47 n VAL 67 Ca -0.01 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 2k47 n VAL 67 Cb 0.33 -1.59 0.31 0.00 -1.47 0.00 0.00 33.84 31.42 2k47 n VAL 67 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2k47 h LYS 68 N 0.01 0.30 -6.15 7.34 2.10 -0.86 -3.44 116.57 115.86 2k47 h LYS 68 Ca -0.50 -0.09 -0.54 0.00 -2.00 0.00 0.00 60.65 57.51 2k47 h LYS 68 Cb 1.95 -0.03 -0.08 0.00 -0.90 0.00 0.00 32.23 33.18 2k47 h LYS 68 CO -0.01 0.51 -0.57 0.71 -2.00 0.00 0.00 179.45 178.08 2k47 s TYR 69 N -4.56 2.77 -0.94 0.07 2.02 -0.94 -3.02 117.35 112.75 2k47 s TYR 69 Ca -0.06 -0.28 -0.23 0.00 -0.37 0.00 0.00 57.07 56.13 2k47 s TYR 69 Cb 0.15 -1.44 0.06 0.00 -0.40 0.00 0.00 41.96 40.32 2k47 s TYR 69 CO 0.75 0.46 1.34 0.45 -1.57 0.00 0.00 175.55 176.99 2k47 s SER 70 N -3.79 6.44 -0.00 2.29 0.15 -0.25 -4.72 113.70 113.82 2k47 s SER 70 Ca 0.35 -1.34 -0.02 0.00 0.70 0.00 0.00 55.95 55.63 2k47 s SER 70 Cb -0.05 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.72 2k47 s SER 70 CO 0.22 -1.50 -0.05 0.18 1.20 0.00 0.00 173.24 173.30 2k47 n LEU 71 N 8.55 0.51 -4.56 3.45 4.32 -1.26 -4.27 117.00 123.74 2k47 n LEU 71 Ca 0.24 0.07 -0.34 0.00 -0.02 0.00 0.00 56.01 55.97 2k47 n LEU 71 Cb 0.50 -0.29 -0.11 0.00 -1.62 0.00 0.00 43.42 41.90 2k47 n LEU 71 CO 0.64 -0.53 -0.30 -0.76 -1.22 0.00 0.00 177.39 175.22 2k47 s LEU 72 N -5.83 3.53 0.00 2.23 2.01 -1.26 -5.13 118.68 114.22 2k47 s LEU 72 Ca -0.04 -0.04 0.00 0.00 0.01 0.00 0.00 54.13 54.07 2k47 s LEU 72 Cb 0.01 -1.88 0.00 0.00 0.01 0.00 0.00 46.19 44.33 2k47 s LEU 72 CO 0.06 0.16 0.07 -0.62 1.01 0.00 0.00 176.35 177.02