#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wc5 h ALA 2 N 0.00 0.95 -0.21 6.98 0.00 -1.73 -1.86 119.26 123.40 2wc5 h ALA 2 Ca 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 2wc5 h ALA 2 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2wc5 h ALA 2 CO 0.00 0.63 0.07 1.49 0.00 0.00 0.00 179.25 181.44 2wc5 h GLU 3 N 0.35 0.32 -0.64 0.00 4.81 -1.92 -1.87 114.58 115.63 2wc5 h GLU 3 Ca 0.03 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2wc5 h GLU 3 Cb 0.88 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.18 2wc5 h GLU 3 CO 0.07 0.41 0.35 0.28 -0.73 0.00 0.00 179.01 179.39 2wc5 h VAL 4 N 0.17 1.20 -0.06 0.32 2.07 -1.83 -2.26 116.25 115.87 2wc5 h VAL 4 Ca 0.07 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 2wc5 h VAL 4 Cb 0.22 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2wc5 h VAL 4 CO -0.00 0.22 -0.31 -0.03 0.02 0.00 0.00 177.57 177.47 2wc5 h MET 5 N 0.90 0.10 -0.43 1.57 1.85 -1.21 -1.10 114.93 116.61 2wc5 h MET 5 Ca 0.23 -0.04 -0.10 0.00 -0.61 0.00 0.00 59.70 59.19 2wc5 h MET 5 Cb 0.03 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.04 2wc5 h MET 5 CO -0.04 0.40 -0.12 0.66 -0.40 0.00 0.00 176.91 177.41 2wc5 h SER 6 N 0.09 0.78 -0.17 1.39 4.64 -0.72 -0.28 113.55 119.28 2wc5 h SER 6 Ca 0.01 -0.24 -0.07 0.00 -0.47 0.00 0.00 61.79 61.03 2wc5 h SER 6 Cb 0.59 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2wc5 h SER 6 CO 0.04 0.92 -0.15 0.45 -0.87 0.00 0.00 176.83 177.22 2wc5 h HIS 7 N 0.71 0.47 -0.18 4.77 3.86 -1.23 -1.42 115.15 122.13 2wc5 h HIS 7 Ca 0.12 -0.14 0.02 0.00 -1.16 0.00 0.00 60.37 59.21 2wc5 h HIS 7 Cb 0.61 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 2wc5 h HIS 7 CO 0.03 0.76 0.03 0.28 0.86 0.00 0.00 177.93 179.89 2wc5 h VAL 8 N 0.04 0.91 -0.53 2.45 2.07 -1.08 -2.70 116.25 117.40 2wc5 h VAL 8 Ca 0.03 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2wc5 h VAL 8 Cb 0.68 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 2wc5 h VAL 8 CO 0.04 0.02 0.27 0.74 0.02 0.00 0.00 177.57 178.65 2wc5 h THR 9 N 0.10 0.95 -0.69 2.57 2.02 -1.05 -0.64 112.91 116.16 2wc5 h THR 9 Ca 0.08 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2wc5 h THR 9 Cb 0.08 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 2wc5 h THR 9 CO -0.12 0.09 0.44 0.00 0.37 0.00 0.00 175.52 176.31 2wc5 h ALA 10 N 1.29 1.48 0.01 6.16 0.00 -1.03 -0.20 119.26 126.98 2wc5 h ALA 10 Ca 0.24 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2wc5 h ALA 10 Cb 0.15 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2wc5 h ALA 10 CO -0.17 0.47 -0.00 1.25 0.00 0.00 0.00 179.25 180.80 2wc5 h HIS 11 N 0.94 -0.01 -0.98 0.00 6.17 -1.19 -3.31 115.15 116.77 2wc5 h HIS 11 Ca 0.25 -0.00 0.16 0.00 0.71 0.00 0.00 60.37 61.50 2wc5 h HIS 11 Cb -0.09 0.00 -0.10 0.00 2.52 0.00 0.00 27.41 29.75 2wc5 h HIS 11 CO 0.00 0.79 0.59 0.35 0.71 0.00 0.00 177.93 180.36 2wc5 h PHE 12 N -0.96 1.04 0.00 5.26 3.57 -1.03 -1.42 116.94 123.40 2wc5 h PHE 12 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2wc5 h PHE 12 Cb 0.80 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.23 2wc5 h PHE 12 CO 0.22 0.28 0.00 0.78 -2.23 0.00 0.00 178.31 177.36 2wc5 h GLY 13 N 0.80 0.00 1.94 2.40 0.00 -1.12 -3.10 103.07 103.99 2wc5 h GLY 13 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 2wc5 h GLY 13 CO -0.35 0.00 0.02 0.50 0.00 0.00 0.00 176.54 176.72 2wc5 h LYS 14 N 0.00 0.00 -0.24 4.80 1.57 -1.35 -1.60 116.57 119.76 2wc5 h LYS 14 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wc5 h LYS 14 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2wc5 h LYS 14 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.13 2wc5 n THR 15 N -3.47 0.31 0.18 -0.16 -2.24 -1.17 -4.35 114.28 103.38 2wc5 n THR 15 Ca -0.03 -0.37 -0.15 0.00 -2.27 0.00 0.00 64.05 61.24 2wc5 n THR 15 Cb 0.10 0.25 -0.07 0.00 -2.10 0.00 0.00 70.33 68.51 2wc5 n THR 15 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2wc5 h LEU 16 N 1.89 -0.96 -0.20 3.22 5.85 -1.52 -2.66 115.31 120.92 2wc5 h LEU 16 Ca 0.00 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2wc5 h LEU 16 Cb 0.42 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2wc5 h LEU 16 CO 0.00 -0.46 0.11 -0.33 -0.34 0.00 0.00 178.44 177.42 2wc5 h GLU 17 N -0.66 0.27 0.00 1.25 4.39 -1.83 0.00 114.58 118.01 2wc5 h GLU 17 Ca -0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2wc5 h GLU 17 Cb 0.63 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2wc5 h GLU 17 CO -0.12 0.24 0.00 1.05 -1.16 0.00 0.00 179.01 179.02 2wc5 h GLU 18 N 0.23 0.00 -0.00 2.33 4.11 -1.84 -1.85 114.58 117.55 2wc5 h GLU 18 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 2wc5 h GLU 18 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2wc5 h GLU 18 CO -0.01 0.00 -0.87 0.00 0.07 0.00 0.00 179.01 178.19 2wc5 h ARG 20 N 0.48 0.10 -0.07 0.00 2.43 -0.28 -2.95 114.38 114.09 2wc5 h ARG 20 Ca 0.00 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2wc5 h ARG 20 Cb 0.54 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2wc5 h ARG 20 CO 0.00 0.06 0.03 0.93 -1.51 0.00 0.00 179.97 179.48 2wc5 h GLU 21 N 0.10 0.11 0.00 0.20 4.39 -1.83 -1.41 114.58 116.14 2wc5 h GLU 21 Ca 0.06 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 2wc5 h GLU 21 Cb 0.04 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2wc5 h GLU 21 CO -0.06 0.23 -0.15 1.05 -1.16 0.00 0.00 179.01 178.92 2wc5 h GLU 22 N -0.04 0.00 0.00 2.33 4.11 -1.88 -2.71 114.58 116.40 2wc5 h GLU 22 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 2wc5 h GLU 22 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2wc5 h GLU 22 CO -0.00 0.15 -0.53 0.77 0.07 0.00 0.00 179.01 179.47 2wc5 h SER 23 N 0.00 0.00 -0.96 3.06 0.02 -1.30 -3.48 113.55 110.89 2wc5 h SER 23 Ca -0.00 -0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.80 2wc5 h SER 23 Cb 0.57 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2wc5 h SER 23 CO 0.02 0.00 -0.18 0.61 -1.14 0.00 0.00 176.83 176.14 2wc5 n GLY 24 N 1.14 0.16 3.36 -3.77 0.00 -0.56 -4.58 105.19 100.94 2wc5 n GLY 24 Ca 0.02 -0.60 -0.45 0.00 0.00 0.00 0.00 46.02 44.99 2wc5 n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wc5 s LEU 25 N -2.03 5.66 0.51 0.99 2.96 -1.03 -4.90 118.68 120.83 2wc5 s LEU 25 Ca 0.00 -1.63 -0.22 0.00 -0.22 0.00 0.00 54.13 52.06 2wc5 s LEU 25 Cb 0.00 -2.28 -0.07 0.00 0.50 0.00 0.00 46.19 44.34 2wc5 s LEU 25 CO 0.00 -1.02 1.10 -0.24 -1.32 0.00 0.00 176.35 174.88 2wc5 n SER 26 N 5.93 1.58 0.22 3.68 2.88 -1.26 -4.86 113.62 121.78 2wc5 n SER 26 Ca -0.07 0.95 0.17 0.00 -1.33 0.00 0.00 58.87 58.59 2wc5 n SER 26 Cb 0.42 -1.43 0.83 0.00 -0.75 0.00 0.00 64.21 63.28 2wc5 n SER 26 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 2wc5 h VAL 27 N 1.24 0.50 -0.06 2.46 -1.51 -1.97 -0.81 116.25 116.10 2wc5 h VAL 27 Ca -0.48 0.00 -0.12 0.00 -1.23 0.00 0.00 66.70 64.87 2wc5 h VAL 27 Cb 1.33 0.86 -0.01 0.00 -2.13 0.00 0.00 31.29 31.34 2wc5 h VAL 27 CO 0.55 0.00 -0.51 0.44 -1.23 0.00 0.00 177.57 176.82 2wc5 h ASP 28 N 0.00 0.18 0.01 4.19 3.32 -1.99 -3.14 116.42 118.99 2wc5 h ASP 28 Ca 0.08 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2wc5 h ASP 28 Cb 0.42 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2wc5 h ASP 28 CO -0.00 0.66 -0.00 0.40 -1.72 0.00 0.00 179.24 178.58 2wc5 h ILE 29 N 0.14 1.55 -2.53 0.35 2.04 -1.52 -3.46 117.51 114.08 2wc5 h ILE 29 Ca 0.00 -1.73 -0.10 0.00 1.00 0.00 0.00 64.86 64.03 2wc5 h ILE 29 Cb 0.95 2.71 -0.27 0.00 -0.74 0.00 0.00 36.82 39.46 2wc5 h ILE 29 CO 0.07 0.44 -0.36 -0.22 0.00 0.00 0.00 178.15 178.09 2wc5 s LEU 30 N -8.72 -0.58 -0.14 1.44 2.96 -0.95 -5.05 118.68 107.65 2wc5 s LEU 30 Ca -0.17 0.98 -0.04 0.00 -0.22 0.00 0.00 54.13 54.67 2wc5 s LEU 30 Cb -0.01 1.35 -0.24 0.00 0.50 0.00 0.00 46.19 47.79 2wc5 s LEU 30 CO 0.66 -0.23 0.27 -0.90 -1.32 0.00 0.00 176.35 174.83 2wc5 n ASP 31 N 5.25 2.05 -3.84 3.68 5.75 -1.19 -4.37 116.55 123.88 2wc5 n ASP 31 Ca -0.10 0.15 -0.13 0.00 -0.01 0.00 0.00 54.79 54.70 2wc5 n ASP 31 Cb 0.50 -0.75 -0.14 0.00 -1.03 0.00 0.00 41.12 39.70 2wc5 n ASP 31 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2wc5 s GLU 32 N -2.55 0.00 0.46 0.11 0.41 -1.26 -5.03 118.70 110.84 2wc5 s GLU 32 Ca -0.24 0.06 0.19 0.00 -0.41 0.00 0.00 54.97 54.57 2wc5 s GLU 32 Cb 0.07 -0.06 1.12 0.00 -1.78 0.00 0.00 34.13 33.48 2wc5 s GLU 32 CO 0.74 -0.04 2.00 0.35 -0.49 0.00 0.00 175.26 177.81 2wc5 h PHE 33 N 6.42 0.00 -0.97 1.61 3.57 -1.91 -2.01 116.94 123.64 2wc5 h PHE 33 Ca -0.29 0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.46 2wc5 h PHE 33 Cb 1.19 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.87 2wc5 h PHE 33 CO 0.43 0.19 0.66 1.57 -2.23 0.00 0.00 178.31 178.93 2wc5 h LYS 34 N 0.00 0.22 0.00 1.11 2.10 -1.94 0.97 116.57 119.03 2wc5 h LYS 34 Ca -0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2wc5 h LYS 34 Cb 0.38 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 2wc5 h LYS 34 CO 0.02 0.14 0.00 0.72 -2.00 0.00 0.00 179.45 178.34 2wc5 n HIS 35 N -4.42 0.00 -0.21 0.07 8.25 -0.76 -1.83 115.22 116.32 2wc5 n HIS 35 Ca 0.21 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.80 2wc5 n HIS 35 Cb 0.90 -0.33 0.42 0.00 1.12 0.00 0.00 29.99 32.10 2wc5 n HIS 35 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 2wc5 h PHE 36 N 0.00 0.67 -0.00 4.41 3.57 -0.99 -1.97 116.94 122.63 2wc5 h PHE 36 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2wc5 h PHE 36 Cb 0.14 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.66 2wc5 h PHE 36 CO 0.00 0.27 -0.18 0.91 -2.23 0.00 0.00 178.31 177.08 2wc5 n TRP 37 N -4.51 0.00 -1.66 0.41 7.02 -0.76 -4.83 117.44 113.10 2wc5 n TRP 37 Ca 0.15 0.00 -0.46 0.00 -1.02 0.00 0.00 57.50 56.17 2wc5 n TRP 37 Cb 0.44 -0.38 -0.03 0.00 -2.42 0.00 0.00 31.31 28.92 2wc5 n TRP 37 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2wc5 n SER 38 N -1.44 2.75 -0.32 -0.99 2.88 -0.74 -4.77 113.62 110.98 2wc5 n SER 38 Ca 0.07 1.12 0.22 0.00 -1.33 0.00 0.00 58.87 58.96 2wc5 n SER 38 Cb 0.33 -1.41 0.44 0.00 -0.75 0.00 0.00 64.21 62.82 2wc5 n SER 38 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2wc5 h ASP 39 N 4.71 0.18 -0.30 -3.46 1.82 -1.90 0.17 116.42 117.64 2wc5 h ASP 39 Ca -0.45 0.23 -0.06 0.00 -0.39 0.00 0.00 57.03 56.36 2wc5 h ASP 39 Cb 1.27 0.26 -0.04 0.00 0.68 0.00 0.00 39.33 41.51 2wc5 h ASP 39 CO 0.80 -0.26 0.00 -0.90 -1.61 0.00 0.00 179.24 177.26 2wc5 n ASP 40 N -5.22 3.51 -4.63 2.28 5.75 -1.26 -4.88 116.55 112.10 2wc5 n ASP 40 Ca 0.30 -3.23 -0.40 0.00 -0.01 0.00 0.00 54.79 51.45 2wc5 n ASP 40 Cb 0.97 -0.58 -0.06 0.00 -1.03 0.00 0.00 41.12 40.42 2wc5 n ASP 40 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2wc5 s PHE 41 N -2.95 3.30 -0.18 2.11 5.36 0.05 -5.05 117.98 120.62 2wc5 s PHE 41 Ca 0.43 0.84 -0.22 0.00 -0.96 0.00 0.00 56.93 57.01 2wc5 s PHE 41 Cb 0.36 -2.83 -0.02 0.00 -0.34 0.00 0.00 43.02 40.19 2wc5 s PHE 41 CO 0.07 -0.30 0.70 -0.51 -1.46 0.00 0.00 175.22 173.72 2wc5 s ASP 42 N 1.42 6.80 -0.80 6.13 1.01 -1.26 -4.85 116.67 125.12 2wc5 s ASP 42 Ca 0.27 0.98 -0.19 0.00 0.71 0.00 0.00 52.55 54.31 2wc5 s ASP 42 Cb -0.16 -2.39 0.12 0.00 1.01 0.00 0.00 42.92 41.51 2wc5 s ASP 42 CO 0.09 -0.30 0.97 -0.69 0.21 0.00 0.00 175.17 175.45 2wc5 s VAL 43 N 1.87 4.77 0.00 -1.27 1.01 -1.26 -4.70 120.40 120.82 2wc5 s VAL 43 Ca 0.33 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 60.98 2wc5 s VAL 43 Cb -0.16 -4.67 0.00 0.00 0.00 0.00 0.00 36.38 31.55 2wc5 s VAL 43 CO 0.12 -1.36 0.00 1.33 0.00 0.00 0.00 175.10 175.18 2wc5 n VAL 44 N 5.41 0.00 -2.72 2.92 0.24 -1.26 -4.62 118.33 118.31 2wc5 n VAL 44 Ca 0.10 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.99 2wc5 n VAL 44 Cb 0.47 -0.02 -0.04 0.00 -1.47 0.00 0.00 33.84 32.78 2wc5 n VAL 44 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2wc5 s HIS 45 N -0.65 3.74 0.34 6.34 3.76 -1.26 -4.92 115.29 122.64 2wc5 s HIS 45 Ca 0.00 1.75 0.11 0.00 -0.15 0.00 0.00 55.06 56.77 2wc5 s HIS 45 Cb 0.00 -3.09 0.91 0.00 1.11 0.00 0.00 32.58 31.51 2wc5 s HIS 45 CO 0.00 0.09 1.77 -0.09 -0.85 0.00 0.00 174.74 175.66 2wc5 h ARG 46 N 6.15 0.57 -0.37 1.40 2.43 -1.95 -0.58 114.38 122.03 2wc5 h ARG 46 Ca -0.42 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 58.73 2wc5 h ARG 46 Cb 1.22 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 2wc5 h ARG 46 CO 0.73 0.38 0.25 0.93 -1.51 0.00 0.00 179.97 180.75 2wc5 h GLU 47 N 0.59 0.44 -0.14 0.20 3.07 -1.90 0.80 114.58 117.63 2wc5 h GLU 47 Ca 0.59 -0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 59.29 2wc5 h GLU 47 Cb 1.17 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.97 2wc5 h GLU 47 CO -0.37 0.29 -0.51 1.25 -1.40 0.00 0.00 179.01 178.27 2wc5 h LEU 48 N 0.46 0.43 -0.61 1.33 5.85 -1.42 -0.53 115.31 120.82 2wc5 h LEU 48 Ca 0.14 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 2wc5 h LEU 48 Cb 0.02 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2wc5 h LEU 48 CO -0.03 0.87 0.23 1.23 -0.34 0.00 0.00 178.44 180.40 2wc5 h GLY 49 N 1.22 0.99 0.95 3.75 0.00 -0.68 0.10 103.07 109.41 2wc5 h GLY 49 Ca 0.01 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 2wc5 h GLY 49 CO 0.09 0.52 0.14 0.00 0.00 0.00 0.00 176.54 177.28 2wc5 h ALA 51 N 0.99 0.75 -0.48 0.00 0.00 -0.90 -1.72 119.26 117.89 2wc5 h ALA 51 Ca 0.14 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2wc5 h ALA 51 Cb 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2wc5 h ALA 51 CO -0.00 0.01 0.12 0.82 0.00 0.00 0.00 179.25 180.19 2wc5 h ILE 52 N 0.62 1.21 -0.16 0.00 2.04 -0.42 0.14 117.51 120.94 2wc5 h ILE 52 Ca 0.25 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 2wc5 h ILE 52 Cb 0.11 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2wc5 h ILE 52 CO -0.14 0.28 0.08 0.40 0.00 0.00 0.00 178.15 178.76 2wc5 h ILE 53 N 0.71 1.11 -0.81 -0.67 2.04 -1.05 0.48 117.51 119.32 2wc5 h ILE 53 Ca 0.16 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.72 2wc5 h ILE 53 Cb 0.26 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 2wc5 h ILE 53 CO -0.00 0.10 0.53 0.00 0.00 0.00 0.00 178.15 178.78 2wc5 h MET 55 N 1.07 0.34 -0.28 0.00 2.86 -0.45 -3.06 114.93 115.41 2wc5 h MET 55 Ca 0.30 -0.29 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 2wc5 h MET 55 Cb -0.09 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 2wc5 h MET 55 CO -0.08 0.95 -0.05 0.77 1.06 0.00 0.00 176.91 179.56 2wc5 h SER 56 N 0.22 0.54 -0.85 1.22 0.02 -0.47 -3.03 113.55 111.19 2wc5 h SER 56 Ca -0.03 -0.35 0.20 0.00 -0.84 0.00 0.00 61.79 60.76 2wc5 h SER 56 Cb 1.34 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 63.68 2wc5 h SER 56 CO 0.13 0.77 0.58 0.78 -1.14 0.00 0.00 176.83 177.94 2wc5 h ASN 57 N 0.30 0.30 -0.74 3.07 2.35 -0.84 0.70 115.58 120.72 2wc5 h ASN 57 Ca 0.07 0.03 0.11 0.00 -0.55 0.00 0.00 56.30 55.96 2wc5 h ASN 57 Cb 0.52 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.82 2wc5 h ASN 57 CO 0.03 0.13 0.49 0.11 -1.65 0.00 0.00 177.43 176.53 2wc5 h LYS 58 N 0.31 0.57 -0.24 0.81 1.79 -1.43 -2.29 116.57 116.08 2wc5 h LYS 58 Ca 0.43 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.79 2wc5 h LYS 58 Cb 1.21 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 31.69 2wc5 h LYS 58 CO -0.13 0.37 -0.06 1.19 -1.08 0.00 0.00 179.45 179.75 2wc5 n PHE 59 N -4.49 0.81 -4.13 -1.35 3.72 0.16 -4.98 117.46 107.18 2wc5 n PHE 59 Ca 0.13 -1.23 -0.33 0.00 -0.05 0.00 0.00 57.45 55.96 2wc5 n PHE 59 Cb 0.38 -0.36 -0.02 0.00 -0.94 0.00 0.00 39.48 38.54 2wc5 n PHE 59 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2wc5 n SER 60 N -0.94 -2.71 -0.14 4.37 7.64 -0.86 -4.88 113.62 116.09 2wc5 n SER 60 Ca 0.25 -0.99 0.12 0.00 1.01 0.00 0.00 58.87 59.27 2wc5 n SER 60 Cb 0.90 -2.92 0.31 0.00 -1.01 0.00 0.00 64.21 61.50 2wc5 n SER 60 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2wc5 n LEU 61 N -4.42 0.82 -4.84 -3.43 4.77 -0.70 -4.76 117.00 104.43 2wc5 n LEU 61 Ca -0.02 -0.16 -0.37 0.00 -0.03 0.00 0.00 56.01 55.43 2wc5 n LEU 61 Cb 0.54 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 2wc5 n LEU 61 CO 0.83 0.17 -0.19 -0.04 -1.33 0.00 0.00 177.39 176.83 2wc5 s MET 62 N -2.71 3.47 0.50 3.23 -1.94 -1.26 0.27 119.30 120.87 2wc5 s MET 62 Ca 0.19 -0.17 -0.04 0.00 -1.71 0.00 0.00 55.69 53.95 2wc5 s MET 62 Cb 0.18 -3.17 0.11 0.00 2.01 0.00 0.00 34.83 33.96 2wc5 s MET 62 CO 0.60 0.72 0.69 -0.40 -0.01 0.00 0.00 175.02 176.62 2wc5 n ASP 63 N 2.16 0.50 0.22 3.03 5.75 0.17 -4.58 116.55 123.80 2wc5 n ASP 63 Ca -0.19 -1.52 0.12 0.00 -0.01 0.00 0.00 54.79 53.19 2wc5 n ASP 63 Cb 0.55 -0.48 0.72 0.00 -1.03 0.00 0.00 41.12 40.87 2wc5 n ASP 63 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2wc5 h ASP 64 N -0.65 0.00 -0.59 -1.12 3.32 -1.97 -2.00 116.42 113.40 2wc5 h ASP 64 Ca -0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2wc5 h ASP 64 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2wc5 h ASP 64 CO 0.20 0.00 0.00 -0.67 -1.72 0.00 0.00 179.24 177.05 2wc5 n ASP 65 N -4.30 3.67 -2.78 6.45 2.03 -1.26 -4.93 116.55 115.43 2wc5 n ASP 65 Ca -0.01 -2.16 -0.19 0.00 0.52 0.00 0.00 54.79 52.95 2wc5 n ASP 65 Cb 0.19 -0.47 0.04 0.00 -0.72 0.00 0.00 41.12 40.17 2wc5 n ASP 65 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2wc5 n VAL 66 N 1.15 -2.02 -4.10 5.18 0.31 -0.75 -5.02 118.33 113.08 2wc5 n VAL 66 Ca 0.21 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.31 2wc5 n VAL 66 Cb 0.63 -3.30 -0.06 0.00 -0.91 0.00 0.00 33.84 30.19 2wc5 n VAL 66 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2wc5 s ARG 67 N -5.75 2.33 0.11 5.55 3.00 -1.26 -4.91 118.95 118.03 2wc5 s ARG 67 Ca 0.35 -1.60 -0.35 0.00 0.00 0.00 0.00 55.73 54.12 2wc5 s ARG 67 Cb -0.15 -2.14 -0.15 0.00 0.00 0.00 0.00 34.95 32.51 2wc5 s ARG 67 CO 0.43 0.07 1.48 -0.12 0.00 0.00 0.00 175.30 177.16 2wc5 n MET 68 N -1.16 1.66 -2.83 3.54 0.00 -1.26 0.41 117.12 117.49 2wc5 n MET 68 Ca -0.03 0.60 -0.43 0.00 -0.00 0.00 0.00 57.70 57.84 2wc5 n MET 68 Cb 0.62 -2.31 -0.04 0.00 0.00 0.00 0.00 33.22 31.49 2wc5 n MET 68 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 2wc5 s HIS 69 N 0.85 2.96 0.10 1.12 2.46 0.14 -4.47 115.29 118.46 2wc5 s HIS 69 Ca 0.82 0.46 -0.18 0.00 0.47 0.00 0.00 55.06 56.63 2wc5 s HIS 69 Cb -0.82 -3.88 -0.06 0.00 -0.13 0.00 0.00 32.58 27.69 2wc5 s HIS 69 CO 0.43 -1.03 1.61 0.45 -2.47 0.00 0.00 174.74 173.73 2wc5 h HIS 70 N 8.94 0.45 -0.27 3.88 3.86 -1.92 -0.46 115.15 129.62 2wc5 h HIS 70 Ca -0.24 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 58.90 2wc5 h HIS 70 Cb 1.08 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.41 2wc5 h HIS 70 CO 0.86 0.50 0.09 0.28 0.86 0.00 0.00 177.93 180.51 2wc5 h VAL 71 N 0.28 1.19 -0.32 2.45 2.07 -1.97 -0.01 116.25 119.94 2wc5 h VAL 71 Ca 0.09 -0.62 -0.12 0.00 0.82 0.00 0.00 66.70 66.87 2wc5 h VAL 71 Cb 0.26 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2wc5 h VAL 71 CO -0.00 0.20 -0.31 0.78 0.02 0.00 0.00 177.57 178.26 2wc5 h ASN 72 N 0.28 0.70 -0.07 0.57 2.35 -1.83 -0.75 115.58 116.83 2wc5 h ASN 72 Ca 0.09 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 2wc5 h ASN 72 Cb 0.23 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 2wc5 h ASN 72 CO -0.00 0.96 0.05 -0.03 -1.65 0.00 0.00 177.43 176.75 2wc5 h MET 73 N 0.57 0.09 -0.70 0.81 4.05 -0.88 0.22 114.93 119.10 2wc5 h MET 73 Ca 0.07 -0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.55 2wc5 h MET 73 Cb 0.82 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.53 2wc5 h MET 73 CO 0.07 0.06 0.38 0.22 0.23 0.00 0.00 176.91 177.87 2wc5 h ASP 74 N 0.09 0.55 -0.40 1.39 3.58 -0.70 0.22 116.42 121.16 2wc5 h ASP 74 Ca 0.03 0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.42 2wc5 h ASP 74 Cb -0.01 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 2wc5 h ASP 74 CO -0.01 0.34 -0.09 -0.33 -2.88 0.00 0.00 179.24 176.28 2wc5 h GLU 75 N 0.68 0.84 -0.09 0.28 5.08 -0.97 -1.32 114.58 119.09 2wc5 h GLU 75 Ca 0.32 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2wc5 h GLU 75 Cb 0.25 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2wc5 h GLU 75 CO -0.21 0.90 0.01 -0.92 -1.00 0.00 0.00 179.01 177.79 2wc5 h TYR 76 N 0.76 0.16 -0.78 4.33 3.20 -0.43 -2.55 116.97 121.67 2wc5 h TYR 76 Ca 0.13 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 2wc5 h TYR 76 Cb 0.58 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 2wc5 h TYR 76 CO 0.03 0.36 0.34 0.82 -1.64 0.00 0.00 178.16 178.07 2wc5 h ILE 77 N -0.08 1.25 0.00 1.81 2.04 -0.76 -2.15 117.51 119.62 2wc5 h ILE 77 Ca 0.03 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2wc5 h ILE 77 Cb 0.29 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 2wc5 h ILE 77 CO 0.00 0.32 0.00 0.29 0.00 0.00 0.00 178.15 178.76 2wc5 n LYS 78 N -4.33 0.14 0.00 2.37 5.02 -0.51 -2.47 118.16 118.38 2wc5 n LYS 78 Ca 0.07 0.36 0.09 0.00 -2.02 0.00 0.00 58.31 56.81 2wc5 n LYS 78 Cb 0.16 -1.76 0.50 0.00 -0.02 0.00 0.00 35.03 33.91 2wc5 n LYS 78 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2wc5 n SER 79 N -2.02 0.00 -4.83 4.39 3.41 -0.81 -4.59 113.62 109.18 2wc5 n SER 79 Ca 0.03 -0.11 -0.25 0.00 -0.26 0.00 0.00 58.87 58.27 2wc5 n SER 79 Cb 0.22 -0.23 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2wc5 n SER 79 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2wc5 s PHE 80 N -2.46 3.20 0.17 7.33 0.08 -1.03 -5.03 117.98 120.24 2wc5 s PHE 80 Ca 0.20 -0.02 -0.33 0.00 0.12 0.00 0.00 56.93 56.91 2wc5 s PHE 80 Cb 0.13 -1.51 -0.13 0.00 -0.57 0.00 0.00 43.02 40.94 2wc5 s PHE 80 CO 0.28 0.52 1.69 -2.30 -0.10 0.00 0.00 175.22 175.30 2wc5 n PRO 81 N -0.58 2.54 -1.46 0.24 -0.02 -1.26 -0.58 135.00 133.88 2wc5 n PRO 81 Ca -0.08 0.92 -0.16 0.00 -2.02 0.00 0.00 63.50 62.15 2wc5 n PRO 81 Cb 0.55 -2.74 -0.07 0.00 -0.02 0.00 0.00 33.50 31.22 2wc5 n PRO 81 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wc5 n ASN 82 N 4.08 -5.06 -0.28 2.55 3.02 -1.26 -4.83 115.26 113.47 2wc5 n ASN 82 Ca 0.17 0.41 0.26 0.00 -0.03 0.00 0.00 54.58 55.39 2wc5 n ASN 82 Cb 0.33 -4.29 0.61 0.00 -0.61 0.00 0.00 39.78 35.82 2wc5 n ASN 82 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2wc5 h GLY 83 N 0.00 0.61 1.81 7.41 0.00 -1.01 -0.93 103.07 110.96 2wc5 h GLY 83 Ca -0.34 -0.11 0.02 0.00 0.00 0.00 0.00 47.33 46.91 2wc5 h GLY 83 CO 0.49 -0.05 0.07 -1.61 0.00 0.00 0.00 176.54 175.44 2wc5 h GLN 84 N 0.22 0.00 0.00 4.80 4.15 -1.83 -1.98 115.11 120.47 2wc5 h GLN 84 Ca 0.53 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.94 2wc5 h GLN 84 Cb 1.68 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.37 2wc5 h GLN 84 CO -0.15 0.00 -0.05 -0.39 -1.93 0.00 0.00 178.83 176.32 2wc5 h VAL 85 N 0.00 0.19 0.00 2.39 -1.51 -1.56 -3.24 116.25 112.52 2wc5 h VAL 85 Ca 0.04 -0.43 -0.23 0.00 -1.23 0.00 0.00 66.70 64.85 2wc5 h VAL 85 Cb 0.18 1.35 -0.04 0.00 -2.13 0.00 0.00 31.29 30.65 2wc5 h VAL 85 CO -0.00 0.05 -1.98 -0.11 -1.23 0.00 0.00 177.57 174.30 2wc5 n LEU 86 N -3.25 0.00 -0.09 4.19 7.94 -0.79 -4.60 117.00 120.39 2wc5 n LEU 86 Ca -0.01 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.83 2wc5 n LEU 86 Cb 0.24 0.31 0.01 0.00 0.53 0.00 0.00 43.42 44.51 2wc5 n LEU 86 CO 0.27 0.31 0.89 0.00 -1.11 0.00 0.00 177.39 177.75 2wc5 h ALA 87 N 0.86 0.34 0.11 1.96 0.00 -1.46 -0.52 119.26 120.55 2wc5 h ALA 87 Ca -0.34 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2wc5 h ALA 87 Cb 1.73 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2wc5 h ALA 87 CO 0.02 -0.35 -0.06 0.93 0.00 0.00 0.00 179.25 179.79 2wc5 h GLU 88 N 0.16 -0.15 -0.80 0.00 4.39 -1.86 -2.55 114.58 113.78 2wc5 h GLU 88 Ca 0.16 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 2wc5 h GLU 88 Cb 0.18 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.83 2wc5 h GLU 88 CO -0.22 0.03 0.43 -0.22 -1.16 0.00 0.00 179.01 177.86 2wc5 h LYS 89 N -0.30 1.12 -0.48 2.33 3.64 -1.77 -2.32 116.57 118.79 2wc5 h LYS 89 Ca -0.02 -0.14 -0.09 0.00 -1.27 0.00 0.00 60.65 59.14 2wc5 h LYS 89 Cb 0.24 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2wc5 h LYS 89 CO 0.03 0.84 -0.05 1.98 -2.27 0.00 0.00 179.45 179.97 2wc5 h MET 90 N 1.11 0.88 -0.42 1.90 4.05 -0.97 0.13 114.93 121.62 2wc5 h MET 90 Ca 0.28 -0.31 -0.03 0.00 -0.28 0.00 0.00 59.70 59.36 2wc5 h MET 90 Cb 0.05 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.77 2wc5 h MET 90 CO -0.04 0.95 0.15 0.28 0.23 0.00 0.00 176.91 178.47 2wc5 h VAL 91 N 0.74 1.21 -0.13 -5.77 2.07 -1.36 -0.44 116.25 112.56 2wc5 h VAL 91 Ca 0.13 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 2wc5 h VAL 91 Cb 0.58 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2wc5 h VAL 91 CO 0.03 0.24 0.08 0.50 0.02 0.00 0.00 177.57 178.44 2wc5 h LYS 92 N 0.54 0.18 -0.02 1.57 3.64 -1.14 0.16 116.57 121.49 2wc5 h LYS 92 Ca 0.14 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2wc5 h LYS 92 Cb 0.23 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2wc5 h LYS 92 CO -0.01 0.17 0.01 1.25 -2.27 0.00 0.00 179.45 178.60 2wc5 h LEU 93 N 0.14 0.02 -0.29 5.20 6.46 -0.49 -0.89 115.31 125.47 2wc5 h LEU 93 Ca 0.05 -0.09 0.04 0.00 -0.12 0.00 0.00 57.88 57.75 2wc5 h LEU 93 Cb 0.04 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 39.93 2wc5 h LEU 93 CO -0.01 0.11 0.07 0.40 -0.62 0.00 0.00 178.44 178.39 2wc5 h ILE 94 N -0.06 0.88 -0.61 4.05 2.04 -0.93 -2.48 117.51 120.41 2wc5 h ILE 94 Ca 0.01 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 2wc5 h ILE 94 Cb 0.09 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 2wc5 h ILE 94 CO -0.00 0.03 0.32 -0.74 0.00 0.00 0.00 178.15 177.76 2wc5 h HIS 95 N 0.18 0.82 -0.85 1.37 2.76 -0.54 -0.62 115.15 118.27 2wc5 h HIS 95 Ca 0.13 -0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.31 2wc5 h HIS 95 Cb 0.13 -0.26 -0.05 0.00 1.55 0.00 0.00 27.41 28.77 2wc5 h HIS 95 CO -0.16 0.59 0.55 -0.97 -1.30 0.00 0.00 177.93 176.65 2wc5 h ASN 96 N 0.85 0.94 -0.33 3.26 -1.24 -0.85 -1.46 115.58 116.74 2wc5 h ASN 96 Ca 0.21 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.19 2wc5 h ASN 96 Cb 0.05 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 38.86 2wc5 h ASN 96 CO -0.03 0.66 0.12 0.00 -1.29 0.00 0.00 177.43 176.89 2wc5 h GLU 98 N 0.38 0.61 -0.30 0.00 5.08 -0.64 -1.10 114.58 118.60 2wc5 h GLU 98 Ca 0.11 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2wc5 h GLU 98 Cb 0.21 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2wc5 h GLU 98 CO -0.01 0.40 0.12 0.87 -1.00 0.00 0.00 179.01 179.40 2wc5 h LYS 99 N 0.63 0.41 0.00 2.33 1.57 -1.15 -2.38 116.57 117.98 2wc5 h LYS 99 Ca 0.39 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2wc5 h LYS 99 Cb 0.46 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2wc5 h LYS 99 CO -0.30 0.34 0.00 1.96 -0.57 0.00 0.00 179.45 180.88 2wc5 h GLN 100 N 0.41 0.00 -0.06 3.15 4.20 -1.07 -3.03 115.11 118.72 2wc5 h GLN 100 Ca 0.10 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 2wc5 h GLN 100 Cb 0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 2wc5 h GLN 100 CO -0.01 0.00 -0.02 1.19 -0.67 0.00 0.00 178.83 179.31 2wc5 n PHE 101 N -3.03 0.21 0.27 2.96 3.72 -0.99 -4.75 117.46 115.84 2wc5 n PHE 101 Ca 0.02 -1.01 0.13 0.00 -0.05 0.00 0.00 57.45 56.54 2wc5 n PHE 101 Cb 0.37 -0.19 0.63 0.00 -0.94 0.00 0.00 39.48 39.35 2wc5 n PHE 101 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2wc5 h ASP 102 N 0.43 0.00 -0.18 4.37 3.58 -1.31 -1.55 116.42 121.75 2wc5 h ASP 102 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2wc5 h ASP 102 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 2wc5 h ASP 102 CO 0.05 0.00 0.00 0.35 -2.88 0.00 0.00 179.24 176.76 2wc5 n THR 103 N -2.40 0.22 -2.99 2.25 -2.24 -1.26 -4.67 114.28 103.19 2wc5 n THR 103 Ca -0.00 -0.46 -0.43 0.00 -2.27 0.00 0.00 64.05 60.88 2wc5 n THR 103 Cb 0.12 0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 69.03 2wc5 n THR 103 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wc5 s GLU 104 N -1.78 3.35 0.16 -0.78 2.56 -0.59 -4.93 118.70 116.70 2wc5 s GLU 104 Ca 0.34 -0.22 0.19 0.00 0.00 0.00 0.00 54.97 55.28 2wc5 s GLU 104 Cb 0.20 -3.96 -0.03 0.00 2.00 0.00 0.00 34.13 32.33 2wc5 s GLU 104 CO 0.30 -1.15 1.03 1.79 -0.56 0.00 0.00 175.26 176.67 2wc5 h THR 105 N 5.96 0.34 -2.31 -1.70 1.35 -1.87 -3.43 112.91 111.25 2wc5 h THR 105 Ca -0.25 -1.61 -0.55 0.00 -0.55 0.00 0.00 66.41 63.44 2wc5 h THR 105 Cb 1.09 1.89 0.01 0.00 -1.73 0.00 0.00 68.15 69.41 2wc5 h THR 105 CO 0.96 0.19 1.30 -0.62 -0.25 0.00 0.00 175.52 177.10 2wc5 s ASP 106 N -5.75 6.15 0.08 5.36 2.15 -1.26 -4.89 116.67 118.50 2wc5 s ASP 106 Ca -0.01 2.31 -0.22 0.00 0.43 0.00 0.00 52.55 55.06 2wc5 s ASP 106 Cb 0.09 -2.52 -0.14 0.00 -0.30 0.00 0.00 42.92 40.04 2wc5 s ASP 106 CO 0.79 -1.35 1.65 0.44 -0.17 0.00 0.00 175.17 176.53 2wc5 h ASP 107 N 11.92 0.08 -0.91 -0.34 3.32 -1.98 0.18 116.42 128.69 2wc5 h ASP 107 Ca -0.45 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.49 2wc5 h ASP 107 Cb 1.23 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.71 2wc5 h ASP 107 CO 0.95 0.16 0.57 0.00 -1.72 0.00 0.00 179.24 179.21 2wc5 h THR 109 N 1.25 1.42 -0.76 0.00 2.02 -1.76 -2.01 112.91 113.07 2wc5 h THR 109 Ca 0.33 -1.34 0.14 0.00 0.77 0.00 0.00 66.41 66.31 2wc5 h THR 109 Cb -0.09 2.21 -0.09 0.00 -1.74 0.00 0.00 68.15 68.44 2wc5 h THR 109 CO -0.07 0.36 0.32 -0.09 0.37 0.00 0.00 175.52 176.41 2wc5 h ARG 110 N -0.38 0.46 -0.22 6.66 2.43 -0.57 -1.62 114.38 121.14 2wc5 h ARG 110 Ca 0.00 -0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 58.96 2wc5 h ARG 110 Cb 0.62 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2wc5 h ARG 110 CO 0.02 0.30 -0.62 0.28 -1.51 0.00 0.00 179.97 178.44 2wc5 h VAL 111 N 0.47 1.29 -0.52 0.20 2.07 -1.11 0.15 116.25 118.80 2wc5 h VAL 111 Ca 0.41 -1.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.01 2wc5 h VAL 111 Cb 0.61 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 2wc5 h VAL 111 CO -0.39 0.59 -0.01 1.62 0.02 0.00 0.00 177.57 179.40 2wc5 h VAL 112 N 0.56 1.25 -0.51 2.57 3.04 -1.16 0.27 116.25 122.27 2wc5 h VAL 112 Ca -0.01 -1.07 -0.08 0.00 -1.01 0.00 0.00 66.70 64.53 2wc5 h VAL 112 Cb 1.22 0.86 -0.02 0.00 -2.01 0.00 0.00 31.29 31.35 2wc5 h VAL 112 CO 0.13 0.38 0.02 0.11 -1.01 0.00 0.00 177.57 177.19 2wc5 h LYS 113 N 0.82 0.88 -0.70 4.17 1.57 -0.86 -0.98 116.57 121.47 2wc5 h LYS 113 Ca 0.15 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 2wc5 h LYS 113 Cb 0.50 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 2wc5 h LYS 113 CO 0.02 0.91 0.31 0.28 -0.57 0.00 0.00 179.45 180.40 2wc5 h VAL 114 N 0.75 1.24 -0.71 0.50 2.07 -0.40 -1.80 116.25 117.90 2wc5 h VAL 114 Ca 0.15 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 66.99 2wc5 h VAL 114 Cb 0.50 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 2wc5 h VAL 114 CO 0.02 0.29 0.44 0.00 0.02 0.00 0.00 177.57 178.34 2wc5 h ALA 115 N 1.15 0.93 -0.56 1.67 0.00 -0.18 -0.18 119.26 122.10 2wc5 h ALA 115 Ca 0.24 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 2wc5 h ALA 115 Cb 0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2wc5 h ALA 115 CO -0.02 0.20 -0.03 0.00 0.00 0.00 0.00 179.25 179.40 2wc5 h ALA 116 N 1.31 0.75 -0.50 0.00 0.00 -0.91 -0.47 119.26 119.45 2wc5 h ALA 116 Ca 0.29 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2wc5 h ALA 116 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2wc5 h ALA 116 CO -0.12 0.60 0.18 0.00 0.00 0.00 0.00 179.25 179.91 2wc5 h PHE 118 N 0.67 0.99 0.14 0.00 3.57 -0.77 0.23 116.94 121.76 2wc5 h PHE 118 Ca 0.16 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 2wc5 h PHE 118 Cb 0.24 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2wc5 h PHE 118 CO 0.01 0.72 -0.07 -0.22 -2.23 0.00 0.00 178.31 176.52 2wc5 h LYS 119 N 0.97 -0.18 -0.81 1.11 3.64 -0.90 0.22 116.57 120.61 2wc5 h LYS 119 Ca 0.24 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 2wc5 h LYS 119 Cb 0.09 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 2wc5 h LYS 119 CO -0.03 -0.07 0.46 1.49 -2.27 0.00 0.00 179.45 179.02 2wc5 h GLU 120 N -0.24 1.12 -0.01 1.90 4.81 -1.05 -2.08 114.58 119.04 2wc5 h GLU 120 Ca -0.02 -0.12 -0.16 0.00 -0.13 0.00 0.00 59.36 58.93 2wc5 h GLU 120 Cb 0.19 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 2wc5 h GLU 120 CO 0.03 0.82 -0.74 -0.44 -0.73 0.00 0.00 179.01 177.95 2wc5 h ASP 121 N 1.12 0.11 -0.41 1.04 3.32 -0.43 -2.25 116.42 118.92 2wc5 h ASP 121 Ca 0.29 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2wc5 h ASP 121 Cb 0.01 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2wc5 h ASP 121 CO -0.05 0.81 0.26 0.28 -1.72 0.00 0.00 179.24 178.83 2wc5 h SER 122 N 0.06 0.47 0.00 6.45 0.02 -0.41 0.43 113.55 120.57 2wc5 h SER 122 Ca -0.02 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2wc5 h SER 122 Cb 1.31 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 2wc5 h SER 122 CO 0.10 0.36 -0.02 0.03 -1.14 0.00 0.00 176.83 176.16 2wc5 h ARG 123 N 0.55 -0.05 -0.98 3.45 3.08 -1.25 0.12 114.38 119.31 2wc5 h ARG 123 Ca 0.15 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.31 2wc5 h ARG 123 Cb -0.05 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 29.94 2wc5 h ARG 123 CO -0.03 -0.03 0.62 -0.22 -1.07 0.00 0.00 179.97 179.24 2wc5 h LYS 124 N -0.05 0.97 -0.01 0.04 3.64 -1.12 -2.15 116.57 117.88 2wc5 h LYS 124 Ca 0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2wc5 h LYS 124 Cb 0.06 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 2wc5 h LYS 124 CO -0.02 0.64 -0.21 0.39 -2.27 0.00 0.00 179.45 177.98 2wc5 n GLU 125 N -4.58 1.31 -1.56 1.90 -0.58 0.12 -4.96 120.64 112.29 2wc5 n GLU 125 Ca 0.18 -0.90 0.00 0.00 -0.42 0.00 0.00 57.16 56.02 2wc5 n GLU 125 Cb 0.32 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 2wc5 n GLU 125 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wc5 n GLY 126 N 1.32 0.49 0.29 0.62 0.00 -0.37 -4.97 105.19 102.57 2wc5 n GLY 126 Ca 0.13 -0.87 0.04 0.00 0.00 0.00 0.00 46.02 45.32 2wc5 n GLY 126 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wc5 n ILE 127 N -3.50 1.24 -3.06 -0.61 -5.35 0.29 -3.60 119.36 104.77 2wc5 n ILE 127 Ca 0.00 -1.26 -0.41 0.00 -0.27 0.00 0.00 62.75 60.82 2wc5 n ILE 127 Cb 0.32 0.33 -0.06 0.00 -1.74 0.00 0.00 39.64 38.50 2wc5 n ILE 127 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wc5 s ALA 128 N -1.43 3.60 0.67 -1.28 0.00 -1.14 -4.20 121.76 117.98 2wc5 s ALA 128 Ca 0.15 -0.31 -0.11 0.00 0.00 0.00 0.00 51.96 51.69 2wc5 s ALA 128 Cb 0.11 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 2wc5 s ALA 128 CO 0.06 -0.75 1.06 -1.25 0.00 0.00 0.00 175.76 174.88 2wc5 s PRO 129 N 2.38 3.20 0.46 0.00 0.04 -1.26 -4.81 135.00 135.01 2wc5 s PRO 129 Ca 0.29 0.65 -0.08 0.00 0.04 0.00 0.00 61.00 61.90 2wc5 s PRO 129 Cb -0.16 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 2wc5 s PRO 129 CO 0.09 -0.83 0.80 -1.21 0.04 0.00 0.00 177.00 175.89 2wc5 s GLU 130 N -5.24 3.64 0.30 4.56 0.41 -1.26 -4.92 118.70 116.19 2wc5 s GLU 130 Ca 0.57 0.36 0.03 0.00 -0.41 0.00 0.00 54.97 55.51 2wc5 s GLU 130 Cb -0.11 -2.36 0.60 0.00 -1.78 0.00 0.00 34.13 30.48 2wc5 s GLU 130 CO 0.53 -0.17 1.84 0.28 -0.49 0.00 0.00 175.26 177.25 2wc5 h VAL 131 N 0.52 0.91 -0.14 2.63 2.07 -1.86 -2.20 116.25 118.17 2wc5 h VAL 131 Ca -0.47 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 66.76 2wc5 h VAL 131 Cb 1.20 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2wc5 h VAL 131 CO 0.63 0.17 0.10 0.00 0.02 0.00 0.00 177.57 178.49 2wc5 h ALA 132 N 1.55 2.08 -0.09 1.67 0.00 -1.97 0.90 119.26 123.40 2wc5 h ALA 132 Ca 0.49 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.28 2wc5 h ALA 132 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2wc5 h ALA 132 CO -0.25 -0.11 -0.39 0.52 0.00 0.00 0.00 179.25 179.01 2wc5 h MET 133 N 0.05 0.42 -0.21 0.00 2.86 -1.80 -1.61 114.93 114.64 2wc5 h MET 133 Ca 0.06 -0.34 0.03 0.00 -2.06 0.00 0.00 59.70 57.40 2wc5 h MET 133 Cb 0.20 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 2wc5 h MET 133 CO -0.00 0.97 0.01 0.28 1.06 0.00 0.00 176.91 179.23 2wc5 h VAL 134 N -0.03 0.87 -0.67 -2.22 2.07 -1.26 -2.77 116.25 112.24 2wc5 h VAL 134 Ca -0.02 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.53 2wc5 h VAL 134 Cb 1.04 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 2wc5 h VAL 134 CO 0.08 0.02 0.36 -0.33 0.02 0.00 0.00 177.57 177.72 2wc5 h GLU 135 N 0.09 0.64 -0.98 1.57 5.08 -0.87 -2.20 114.58 117.90 2wc5 h GLU 135 Ca 0.10 -0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.55 2wc5 h GLU 135 Cb 0.12 -0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.14 2wc5 h GLU 135 CO -0.16 0.42 0.62 0.00 -1.00 0.00 0.00 179.01 178.90 2wc5 h ALA 136 N 1.37 1.59 0.24 3.43 0.00 -1.02 0.22 119.26 125.08 2wc5 h ALA 136 Ca 0.31 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2wc5 h ALA 136 Cb 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2wc5 h ALA 136 CO -0.20 0.16 -0.12 0.28 0.00 0.00 0.00 179.25 179.37 2wc5 h VAL 137 N 0.93 0.80 -0.98 0.00 2.07 -1.21 -3.20 116.25 114.66 2wc5 h VAL 137 Ca 0.49 -0.72 0.17 0.00 0.82 0.00 0.00 66.70 67.47 2wc5 h VAL 137 Cb 0.56 1.19 -0.10 0.00 -1.52 0.00 0.00 31.29 31.42 2wc5 h VAL 137 CO -0.26 0.15 0.59 0.40 0.02 0.00 0.00 177.57 178.46 2wc5 h ILE 138 N -0.72 0.74 0.00 4.57 2.04 -1.07 -2.42 117.51 120.65 2wc5 h ILE 138 Ca -0.03 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.56 2wc5 h ILE 138 Cb 0.49 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 2wc5 h ILE 138 CO 0.05 0.14 0.00 -0.62 0.00 0.00 0.00 178.15 177.73 2wc5 n GLU 139 N -4.76 0.31 0.09 2.37 1.02 0.76 -3.25 120.64 117.18 2wc5 n GLU 139 Ca 0.22 0.10 -0.04 0.00 -0.02 0.00 0.00 57.16 57.42 2wc5 n GLU 139 Cb 0.52 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.38 2wc5 n GLU 139 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2wc5 h LYS 140 N 0.00 0.00 0.00 3.49 1.57 -1.48 -3.50 116.57 116.65 2wc5 h LYS 140 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wc5 h LYS 140 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2wc5 h LYS 140 CO 0.00 0.83 0.00 0.66 -0.57 0.00 0.00 179.45 180.37