#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wc6 h ALA 2 N 0.00 0.99 -0.25 6.98 0.00 -1.73 -1.88 119.26 123.37 2wc6 h ALA 2 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2wc6 h ALA 2 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2wc6 h ALA 2 CO 0.00 0.61 0.06 1.49 0.00 0.00 0.00 179.25 181.41 2wc6 h GLU 3 N 0.36 0.40 -0.69 0.00 4.81 -1.92 -1.84 114.58 115.69 2wc6 h GLU 3 Ca 0.04 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2wc6 h GLU 3 Cb 0.83 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 2wc6 h GLU 3 CO 0.07 0.50 0.38 0.28 -0.73 0.00 0.00 179.01 179.51 2wc6 h VAL 4 N 0.23 1.21 -0.01 0.32 2.07 -1.82 -2.19 116.25 116.05 2wc6 h VAL 4 Ca 0.08 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 67.02 2wc6 h VAL 4 Cb 0.27 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2wc6 h VAL 4 CO 0.00 0.23 -0.36 -0.03 0.02 0.00 0.00 177.57 177.43 2wc6 h MET 5 N 0.97 0.02 -0.38 1.57 1.85 -1.22 -1.37 114.93 116.37 2wc6 h MET 5 Ca 0.25 -0.01 -0.10 0.00 -0.61 0.00 0.00 59.70 59.23 2wc6 h MET 5 Cb 0.02 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.03 2wc6 h MET 5 CO -0.04 0.37 -0.16 0.66 -0.40 0.00 0.00 176.91 177.35 2wc6 h SER 6 N 0.02 0.70 -0.22 1.39 4.64 -0.68 -0.48 113.55 118.92 2wc6 h SER 6 Ca -0.00 -0.22 -0.09 0.00 -0.47 0.00 0.00 61.79 61.01 2wc6 h SER 6 Cb 0.64 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2wc6 h SER 6 CO 0.05 0.87 -0.20 0.45 -0.87 0.00 0.00 176.83 177.12 2wc6 h HIS 7 N 0.63 0.62 -0.25 4.77 3.86 -1.22 -1.56 115.15 122.00 2wc6 h HIS 7 Ca 0.10 -0.18 -0.00 0.00 -1.16 0.00 0.00 60.37 59.13 2wc6 h HIS 7 Cb 0.62 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 2wc6 h HIS 7 CO 0.03 0.86 0.15 0.28 0.86 0.00 0.00 177.93 180.11 2wc6 h VAL 8 N 0.21 1.09 -0.52 2.45 2.07 -1.13 -2.68 116.25 117.74 2wc6 h VAL 8 Ca 0.04 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.37 2wc6 h VAL 8 Cb 0.75 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 2wc6 h VAL 8 CO 0.05 0.09 0.31 0.74 0.02 0.00 0.00 177.57 178.78 2wc6 h THR 9 N 0.32 1.05 -0.76 2.57 2.02 -1.09 -0.54 112.91 116.48 2wc6 h THR 9 Ca 0.09 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.07 2wc6 h THR 9 Cb 0.01 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 66.76 2wc6 h THR 9 CO -0.02 0.11 0.51 0.00 0.37 0.00 0.00 175.52 176.49 2wc6 h ALA 10 N 1.24 1.46 0.01 6.16 0.00 -1.06 -0.22 119.26 126.85 2wc6 h ALA 10 Ca 0.21 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2wc6 h ALA 10 Cb 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2wc6 h ALA 10 CO -0.10 0.50 -0.01 1.25 0.00 0.00 0.00 179.25 180.89 2wc6 h HIS 11 N 1.03 -0.01 -0.97 0.00 6.17 -1.22 -3.32 115.15 116.83 2wc6 h HIS 11 Ca 0.28 -0.00 0.15 0.00 0.71 0.00 0.00 60.37 61.51 2wc6 h HIS 11 Cb -0.11 0.00 -0.09 0.00 2.52 0.00 0.00 27.41 29.73 2wc6 h HIS 11 CO -0.00 0.77 0.59 0.35 0.71 0.00 0.00 177.93 180.35 2wc6 h PHE 12 N -0.94 1.05 0.00 5.26 3.57 -1.02 -1.48 116.94 123.38 2wc6 h PHE 12 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2wc6 h PHE 12 Cb 0.79 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.21 2wc6 h PHE 12 CO 0.21 0.33 0.00 0.78 -2.23 0.00 0.00 178.31 177.40 2wc6 h GLY 13 N 0.85 0.00 1.92 2.40 0.00 -1.12 -3.10 103.07 104.01 2wc6 h GLY 13 Ca 0.52 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.85 2wc6 h GLY 13 CO -0.32 0.00 0.04 0.50 0.00 0.00 0.00 176.54 176.76 2wc6 h LYS 14 N 0.00 0.00 -0.21 4.80 1.57 -1.36 -1.41 116.57 119.96 2wc6 h LYS 14 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wc6 h LYS 14 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2wc6 h LYS 14 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.13 2wc6 n THR 15 N -3.44 0.27 0.15 -0.16 -2.24 -1.17 -4.34 114.28 103.35 2wc6 n THR 15 Ca -0.03 -0.34 -0.14 0.00 -2.27 0.00 0.00 64.05 61.28 2wc6 n THR 15 Cb 0.12 0.23 -0.07 0.00 -2.10 0.00 0.00 70.33 68.51 2wc6 n THR 15 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2wc6 h LEU 16 N 1.79 -0.96 -0.16 3.22 5.85 -1.49 -2.72 115.31 120.85 2wc6 h LEU 16 Ca 0.00 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2wc6 h LEU 16 Cb 0.40 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 2wc6 h LEU 16 CO 0.00 -0.44 0.08 -0.33 -0.34 0.00 0.00 178.44 177.41 2wc6 h GLU 17 N -0.61 0.22 0.00 1.25 4.39 -1.83 -0.15 114.58 117.85 2wc6 h GLU 17 Ca 0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2wc6 h GLU 17 Cb 0.61 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2wc6 h GLU 17 CO -0.15 0.23 0.00 1.05 -1.16 0.00 0.00 179.01 178.98 2wc6 h GLU 18 N 0.15 0.00 -0.00 2.33 4.11 -1.84 -1.77 114.58 117.55 2wc6 h GLU 18 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 2wc6 h GLU 18 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2wc6 h GLU 18 CO -0.01 0.00 -0.89 0.00 0.07 0.00 0.00 179.01 178.18 2wc6 h ARG 20 N 0.09 0.13 -0.02 0.00 2.43 -0.25 -2.92 114.38 113.85 2wc6 h ARG 20 Ca 0.00 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2wc6 h ARG 20 Cb 0.46 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2wc6 h ARG 20 CO 0.00 0.09 0.01 0.93 -1.51 0.00 0.00 179.97 179.49 2wc6 h GLU 21 N 0.14 0.03 0.00 0.20 4.39 -1.84 -1.40 114.58 116.10 2wc6 h GLU 21 Ca 0.08 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 2wc6 h GLU 21 Cb 0.06 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2wc6 h GLU 21 CO -0.09 0.15 -0.15 1.05 -1.16 0.00 0.00 179.01 178.81 2wc6 h GLU 22 N -0.10 0.00 0.00 2.33 4.11 -1.88 -2.67 114.58 116.37 2wc6 h GLU 22 Ca 0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.42 2wc6 h GLU 22 Cb 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2wc6 h GLU 22 CO -0.00 0.15 -0.39 0.77 0.07 0.00 0.00 179.01 179.60 2wc6 h SER 23 N 0.00 0.00 -1.04 3.06 0.02 -1.28 -3.48 113.55 110.83 2wc6 h SER 23 Ca -0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 2wc6 h SER 23 Cb 0.57 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 2wc6 h SER 23 CO 0.02 0.08 -0.20 0.61 -1.14 0.00 0.00 176.83 176.20 2wc6 n GLY 24 N 1.15 0.15 3.35 -3.77 0.00 -0.56 -4.59 105.19 100.92 2wc6 n GLY 24 Ca 0.02 -0.57 -0.45 0.00 0.00 0.00 0.00 46.02 45.02 2wc6 n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wc6 s LEU 25 N -2.20 5.77 0.51 0.99 2.96 -1.02 -4.90 118.68 120.79 2wc6 s LEU 25 Ca 0.00 -1.70 -0.22 0.00 -0.22 0.00 0.00 54.13 52.00 2wc6 s LEU 25 Cb 0.00 -2.27 -0.07 0.00 0.50 0.00 0.00 46.19 44.35 2wc6 s LEU 25 CO 0.00 -0.98 1.04 -0.24 -1.32 0.00 0.00 176.35 174.85 2wc6 n SER 26 N 5.76 1.26 0.28 3.68 2.88 -1.26 -4.86 113.62 121.36 2wc6 n SER 26 Ca -0.07 0.93 0.16 0.00 -1.33 0.00 0.00 58.87 58.56 2wc6 n SER 26 Cb 0.42 -1.40 0.91 0.00 -0.75 0.00 0.00 64.21 63.39 2wc6 n SER 26 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 2wc6 h VAL 27 N 1.12 0.47 -0.02 2.46 -1.51 -1.97 -0.93 116.25 115.87 2wc6 h VAL 27 Ca -0.47 0.00 -0.12 0.00 -1.23 0.00 0.00 66.70 64.88 2wc6 h VAL 27 Cb 1.34 0.95 -0.02 0.00 -2.13 0.00 0.00 31.29 31.44 2wc6 h VAL 27 CO 0.54 0.00 -0.56 0.44 -1.23 0.00 0.00 177.57 176.77 2wc6 h ASP 28 N 0.00 0.08 0.00 4.19 3.32 -1.99 -3.13 116.42 118.89 2wc6 h ASP 28 Ca 0.02 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2wc6 h ASP 28 Cb 0.15 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2wc6 h ASP 28 CO -0.00 0.62 -0.00 0.40 -1.72 0.00 0.00 179.24 178.54 2wc6 h ILE 29 N 0.06 1.62 -2.55 0.35 2.04 -1.54 -3.46 117.51 114.03 2wc6 h ILE 29 Ca -0.00 -1.85 -0.11 0.00 1.00 0.00 0.00 64.86 63.90 2wc6 h ILE 29 Cb 1.00 2.87 -0.28 0.00 -0.74 0.00 0.00 36.82 39.68 2wc6 h ILE 29 CO 0.08 0.48 -0.38 -0.22 0.00 0.00 0.00 178.15 178.11 2wc6 s LEU 30 N -8.63 -0.58 -0.13 1.44 2.96 -0.97 -5.04 118.68 107.73 2wc6 s LEU 30 Ca -0.18 0.95 -0.05 0.00 -0.22 0.00 0.00 54.13 54.64 2wc6 s LEU 30 Cb -0.01 1.30 -0.25 0.00 0.50 0.00 0.00 46.19 47.73 2wc6 s LEU 30 CO 0.68 -0.23 0.30 -0.90 -1.32 0.00 0.00 176.35 174.88 2wc6 n ASP 31 N 5.30 2.08 -3.86 3.68 5.75 -1.19 -4.39 116.55 123.93 2wc6 n ASP 31 Ca -0.09 0.17 -0.13 0.00 -0.01 0.00 0.00 54.79 54.73 2wc6 n ASP 31 Cb 0.50 -0.79 -0.14 0.00 -1.03 0.00 0.00 41.12 39.65 2wc6 n ASP 31 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2wc6 s GLU 32 N -2.55 0.01 0.45 0.11 2.02 -1.26 -5.03 118.70 112.44 2wc6 s GLU 32 Ca -0.23 0.03 0.17 0.00 0.02 0.00 0.00 54.97 54.95 2wc6 s GLU 32 Cb 0.07 -0.06 1.05 0.00 0.10 0.00 0.00 34.13 35.29 2wc6 s GLU 32 CO 0.75 -0.03 1.98 0.35 0.02 0.00 0.00 175.26 178.33 2wc6 h PHE 33 N 6.35 0.00 -0.97 1.61 3.57 -1.91 -1.98 116.94 123.62 2wc6 h PHE 33 Ca -0.28 0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.48 2wc6 h PHE 33 Cb 1.19 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.87 2wc6 h PHE 33 CO 0.43 0.21 0.66 1.57 -2.23 0.00 0.00 178.31 178.95 2wc6 h LYS 34 N 0.00 0.19 0.00 1.11 2.10 -1.94 0.11 116.57 118.15 2wc6 h LYS 34 Ca -0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2wc6 h LYS 34 Cb 0.40 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 2wc6 h LYS 34 CO 0.03 0.13 0.00 0.72 -2.00 0.00 0.00 179.45 178.32 2wc6 n HIS 35 N -4.40 0.00 -0.20 0.07 8.25 -0.74 -1.85 115.22 116.35 2wc6 n HIS 35 Ca 0.21 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.78 2wc6 n HIS 35 Cb 0.91 -0.32 0.42 0.00 1.12 0.00 0.00 29.99 32.12 2wc6 n HIS 35 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 2wc6 h PHE 36 N 0.00 0.67 0.00 4.41 3.57 -0.96 -1.93 116.94 122.70 2wc6 h PHE 36 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2wc6 h PHE 36 Cb 0.13 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.66 2wc6 h PHE 36 CO 0.00 0.29 -0.16 0.91 -2.23 0.00 0.00 178.31 177.12 2wc6 n TRP 37 N -4.51 0.06 -1.65 0.41 7.02 -0.77 -4.83 117.44 113.16 2wc6 n TRP 37 Ca 0.14 0.02 -0.46 0.00 -1.02 0.00 0.00 57.50 56.18 2wc6 n TRP 37 Cb 0.41 -0.45 -0.03 0.00 -2.42 0.00 0.00 31.31 28.82 2wc6 n TRP 37 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2wc6 n SER 38 N -1.55 2.52 -0.32 -0.99 2.88 -0.73 -4.77 113.62 110.66 2wc6 n SER 38 Ca 0.06 1.13 0.22 0.00 -1.33 0.00 0.00 58.87 58.95 2wc6 n SER 38 Cb 0.35 -1.38 0.43 0.00 -0.75 0.00 0.00 64.21 62.86 2wc6 n SER 38 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2wc6 h ASP 39 N 4.34 0.21 -0.30 -3.46 1.82 -1.90 -0.43 116.42 116.70 2wc6 h ASP 39 Ca -0.45 0.22 -0.06 0.00 -0.39 0.00 0.00 57.03 56.36 2wc6 h ASP 39 Cb 1.29 0.25 -0.03 0.00 0.68 0.00 0.00 39.33 41.51 2wc6 h ASP 39 CO 0.77 -0.24 0.00 -0.90 -1.61 0.00 0.00 179.24 177.26 2wc6 n ASP 40 N -5.20 3.54 -4.64 2.28 5.75 -1.26 -4.88 116.55 112.15 2wc6 n ASP 40 Ca 0.30 -3.21 -0.41 0.00 -0.01 0.00 0.00 54.79 51.46 2wc6 n ASP 40 Cb 0.95 -0.57 -0.06 0.00 -1.03 0.00 0.00 41.12 40.41 2wc6 n ASP 40 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2wc6 s PHE 41 N -2.94 3.31 -0.17 2.11 5.36 -0.17 -5.05 117.98 120.42 2wc6 s PHE 41 Ca 0.43 0.86 -0.23 0.00 -0.96 0.00 0.00 56.93 57.04 2wc6 s PHE 41 Cb 0.36 -2.84 -0.02 0.00 -0.34 0.00 0.00 43.02 40.17 2wc6 s PHE 41 CO 0.07 -0.29 0.71 -0.51 -1.46 0.00 0.00 175.22 173.74 2wc6 s ASP 42 N 1.40 6.82 -0.80 6.13 1.01 -1.26 -4.86 116.67 125.10 2wc6 s ASP 42 Ca 0.27 1.00 -0.19 0.00 0.71 0.00 0.00 52.55 54.34 2wc6 s ASP 42 Cb -0.16 -2.39 0.13 0.00 1.01 0.00 0.00 42.92 41.51 2wc6 s ASP 42 CO 0.09 -0.31 0.96 -0.69 0.21 0.00 0.00 175.17 175.43 2wc6 s VAL 43 N 1.90 4.82 0.00 -1.27 1.01 -1.26 -4.70 120.40 120.90 2wc6 s VAL 43 Ca 0.33 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.90 2wc6 s VAL 43 Cb -0.16 -4.66 0.00 0.00 0.00 0.00 0.00 36.38 31.56 2wc6 s VAL 43 CO 0.12 -1.35 0.00 1.33 0.00 0.00 0.00 175.10 175.20 2wc6 n VAL 44 N 5.34 0.00 -2.71 2.92 0.24 -1.26 -4.62 118.33 118.24 2wc6 n VAL 44 Ca 0.11 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.00 2wc6 n VAL 44 Cb 0.47 -0.03 -0.04 0.00 -1.47 0.00 0.00 33.84 32.77 2wc6 n VAL 44 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2wc6 s HIS 45 N -0.69 3.72 0.34 6.34 3.76 -1.26 -4.92 115.29 122.58 2wc6 s HIS 45 Ca 0.00 1.73 0.11 0.00 -0.15 0.00 0.00 55.06 56.75 2wc6 s HIS 45 Cb 0.00 -3.10 0.90 0.00 1.11 0.00 0.00 32.58 31.49 2wc6 s HIS 45 CO 0.00 0.05 1.76 -0.09 -0.85 0.00 0.00 174.74 175.61 2wc6 h ARG 46 N 6.23 0.57 -0.33 1.40 2.43 -1.95 -0.63 114.38 122.10 2wc6 h ARG 46 Ca -0.42 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2wc6 h ARG 46 Cb 1.22 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 2wc6 h ARG 46 CO 0.74 0.38 0.22 0.93 -1.51 0.00 0.00 179.97 180.72 2wc6 h GLU 47 N 0.58 0.44 -0.10 0.20 3.07 -1.90 0.64 114.58 117.51 2wc6 h GLU 47 Ca 0.61 -0.03 -0.15 0.00 -0.50 0.00 0.00 59.36 59.30 2wc6 h GLU 47 Cb 1.20 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 2wc6 h GLU 47 CO -0.40 0.29 -0.57 1.25 -1.40 0.00 0.00 179.01 178.18 2wc6 h LEU 48 N 0.45 0.35 -0.58 1.33 5.85 -1.43 -0.62 115.31 120.66 2wc6 h LEU 48 Ca 0.12 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2wc6 h LEU 48 Cb -0.04 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2wc6 h LEU 48 CO -0.03 0.85 0.28 1.23 -0.34 0.00 0.00 178.44 180.44 2wc6 h GLY 49 N 1.34 0.89 0.96 3.75 0.00 -0.67 0.71 103.07 110.06 2wc6 h GLY 49 Ca -0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 2wc6 h GLY 49 CO 0.09 0.42 0.13 0.00 0.00 0.00 0.00 176.54 177.18 2wc6 h ALA 51 N 0.99 0.86 -0.42 0.00 0.00 -0.93 -1.61 119.26 118.16 2wc6 h ALA 51 Ca 0.15 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2wc6 h ALA 51 Cb 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2wc6 h ALA 51 CO -0.00 0.10 0.00 0.82 0.00 0.00 0.00 179.25 180.17 2wc6 h ILE 52 N 0.73 1.22 -0.14 0.00 2.04 -0.45 0.13 117.51 121.04 2wc6 h ILE 52 Ca 0.28 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 2wc6 h ILE 52 Cb 0.11 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2wc6 h ILE 52 CO -0.14 0.31 0.07 0.40 0.00 0.00 0.00 178.15 178.79 2wc6 h ILE 53 N 0.63 1.12 -0.87 -0.67 2.04 -1.04 0.72 117.51 119.44 2wc6 h ILE 53 Ca 0.13 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.66 2wc6 h ILE 53 Cb 0.39 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 2wc6 h ILE 53 CO 0.01 0.11 0.57 0.00 0.00 0.00 0.00 178.15 178.85 2wc6 h MET 55 N 1.14 0.38 -0.30 0.00 2.86 -0.43 -3.04 114.93 115.53 2wc6 h MET 55 Ca 0.33 -0.32 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 2wc6 h MET 55 Cb -0.07 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2wc6 h MET 55 CO -0.09 0.97 -0.04 0.77 1.06 0.00 0.00 176.91 179.58 2wc6 h SER 56 N 0.25 0.56 -0.79 1.22 0.02 -0.42 -3.04 113.55 111.34 2wc6 h SER 56 Ca -0.03 -0.34 0.19 0.00 -0.84 0.00 0.00 61.79 60.77 2wc6 h SER 56 Cb 1.33 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 63.67 2wc6 h SER 56 CO 0.13 0.76 0.54 0.78 -1.14 0.00 0.00 176.83 177.90 2wc6 h ASN 57 N 0.34 0.26 -0.75 3.07 2.35 -0.87 0.57 115.58 120.55 2wc6 h ASN 57 Ca 0.08 0.02 0.11 0.00 -0.55 0.00 0.00 56.30 55.96 2wc6 h ASN 57 Cb 0.50 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.79 2wc6 h ASN 57 CO 0.02 0.12 0.50 0.11 -1.65 0.00 0.00 177.43 176.53 2wc6 h LYS 58 N 0.27 0.61 -0.25 0.81 1.79 -1.42 -2.28 116.57 116.09 2wc6 h LYS 58 Ca 0.40 -0.04 -0.09 0.00 -2.18 0.00 0.00 60.65 58.74 2wc6 h LYS 58 Cb 1.14 -0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 31.60 2wc6 h LYS 58 CO -0.10 0.40 -0.08 1.19 -1.08 0.00 0.00 179.45 179.78 2wc6 n PHE 59 N -4.50 0.82 -4.15 -1.35 3.72 0.10 -4.98 117.46 107.13 2wc6 n PHE 59 Ca 0.13 -1.31 -0.34 0.00 -0.05 0.00 0.00 57.45 55.89 2wc6 n PHE 59 Cb 0.37 -0.38 -0.02 0.00 -0.94 0.00 0.00 39.48 38.51 2wc6 n PHE 59 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2wc6 n SER 60 N -0.99 -2.72 -0.14 4.37 7.64 -0.86 -4.88 113.62 116.04 2wc6 n SER 60 Ca 0.26 -1.00 0.13 0.00 1.01 0.00 0.00 58.87 59.27 2wc6 n SER 60 Cb 0.92 -2.88 0.33 0.00 -1.01 0.00 0.00 64.21 61.56 2wc6 n SER 60 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2wc6 n LEU 61 N -4.42 0.80 -4.84 -3.43 4.77 -0.66 -4.77 117.00 104.45 2wc6 n LEU 61 Ca -0.01 -0.15 -0.37 0.00 -0.03 0.00 0.00 56.01 55.45 2wc6 n LEU 61 Cb 0.54 -0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 2wc6 n LEU 61 CO 0.83 0.16 -0.18 -0.04 -1.33 0.00 0.00 177.39 176.83 2wc6 s MET 62 N -2.71 3.52 0.51 3.23 -1.94 -1.26 0.31 119.30 120.97 2wc6 s MET 62 Ca 0.19 -0.17 -0.05 0.00 -1.71 0.00 0.00 55.69 53.96 2wc6 s MET 62 Cb 0.19 -3.19 0.11 0.00 2.01 0.00 0.00 34.83 33.94 2wc6 s MET 62 CO 0.59 0.70 0.70 -0.40 -0.01 0.00 0.00 175.02 176.60 2wc6 n ASP 63 N 2.23 0.49 0.24 3.03 5.75 0.15 -4.59 116.55 123.85 2wc6 n ASP 63 Ca -0.19 -1.52 0.13 0.00 -0.01 0.00 0.00 54.79 53.20 2wc6 n ASP 63 Cb 0.54 -0.50 0.76 0.00 -1.03 0.00 0.00 41.12 40.90 2wc6 n ASP 63 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2wc6 h ASP 64 N -0.68 0.00 -0.62 -1.12 3.32 -1.97 -2.02 116.42 113.33 2wc6 h ASP 64 Ca -0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.82 2wc6 h ASP 64 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2wc6 h ASP 64 CO 0.20 0.00 0.00 -0.67 -1.72 0.00 0.00 179.24 177.05 2wc6 n ASP 65 N -4.19 3.79 -2.89 6.45 2.03 -1.26 -4.92 116.55 115.56 2wc6 n ASP 65 Ca -0.01 -2.15 -0.20 0.00 0.52 0.00 0.00 54.79 52.95 2wc6 n ASP 65 Cb 0.17 -0.48 0.05 0.00 -0.72 0.00 0.00 41.12 40.15 2wc6 n ASP 65 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2wc6 n VAL 66 N 1.25 -2.18 -4.11 5.18 0.31 -0.76 -5.02 118.33 113.00 2wc6 n VAL 66 Ca 0.22 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.32 2wc6 n VAL 66 Cb 0.65 -3.40 -0.07 0.00 -0.91 0.00 0.00 33.84 30.11 2wc6 n VAL 66 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2wc6 s ARG 67 N -5.86 2.32 0.12 5.55 3.00 -1.26 -4.91 118.95 117.91 2wc6 s ARG 67 Ca 0.39 -1.62 -0.35 0.00 0.00 0.00 0.00 55.73 54.15 2wc6 s ARG 67 Cb -0.17 -2.12 -0.15 0.00 0.00 0.00 0.00 34.95 32.50 2wc6 s ARG 67 CO 0.49 0.07 1.48 -0.12 0.00 0.00 0.00 175.30 177.22 2wc6 n MET 68 N -1.16 1.70 -2.84 3.54 0.00 -1.26 0.31 117.12 117.42 2wc6 n MET 68 Ca -0.03 0.61 -0.43 0.00 -0.00 0.00 0.00 57.70 57.86 2wc6 n MET 68 Cb 0.62 -2.33 -0.04 0.00 0.00 0.00 0.00 33.22 31.47 2wc6 n MET 68 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 2wc6 s HIS 69 N 0.83 2.98 0.09 1.12 2.46 0.15 -4.47 115.29 118.45 2wc6 s HIS 69 Ca 0.82 0.49 -0.19 0.00 0.47 0.00 0.00 55.06 56.65 2wc6 s HIS 69 Cb -0.80 -3.82 -0.07 0.00 -0.13 0.00 0.00 32.58 27.76 2wc6 s HIS 69 CO 0.42 -0.99 1.58 0.45 -2.47 0.00 0.00 174.74 173.74 2wc6 h HIS 70 N 8.86 0.44 -0.23 3.88 3.86 -1.92 -0.65 115.15 129.39 2wc6 h HIS 70 Ca -0.24 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 58.90 2wc6 h HIS 70 Cb 1.08 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.42 2wc6 h HIS 70 CO 0.85 0.51 0.10 0.28 0.86 0.00 0.00 177.93 180.53 2wc6 h VAL 71 N 0.24 1.15 -0.32 2.45 2.07 -1.97 0.19 116.25 120.06 2wc6 h VAL 71 Ca 0.08 -0.46 -0.12 0.00 0.82 0.00 0.00 66.70 67.02 2wc6 h VAL 71 Cb 0.30 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2wc6 h VAL 71 CO 0.00 0.15 -0.28 0.78 0.02 0.00 0.00 177.57 178.24 2wc6 h ASN 72 N 0.22 0.68 -0.01 0.57 2.35 -1.83 -0.76 115.58 116.80 2wc6 h ASN 72 Ca 0.08 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 2wc6 h ASN 72 Cb 0.15 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 2wc6 h ASN 72 CO -0.01 0.93 0.01 -0.03 -1.65 0.00 0.00 177.43 176.68 2wc6 h MET 73 N 0.57 0.02 -0.73 0.81 4.05 -0.91 0.03 114.93 118.77 2wc6 h MET 73 Ca 0.07 -0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.58 2wc6 h MET 73 Cb 0.77 -0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.50 2wc6 h MET 73 CO 0.06 0.06 0.37 0.22 0.23 0.00 0.00 176.91 177.85 2wc6 h ASP 74 N -0.02 0.50 -0.36 1.39 3.58 -0.66 0.24 116.42 121.08 2wc6 h ASP 74 Ca 0.01 0.06 -0.09 0.00 0.42 0.00 0.00 57.03 57.42 2wc6 h ASP 74 Cb 0.04 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 2wc6 h ASP 74 CO -0.00 0.28 -0.10 -0.33 -2.88 0.00 0.00 179.24 176.21 2wc6 h GLU 75 N 0.63 0.80 -0.07 0.28 5.08 -0.96 -1.28 114.58 119.06 2wc6 h GLU 75 Ca 0.36 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2wc6 h GLU 75 Cb 0.36 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2wc6 h GLU 75 CO -0.26 0.87 0.00 -0.92 -1.00 0.00 0.00 179.01 177.70 2wc6 h TYR 76 N 0.72 0.13 -0.76 4.33 3.20 -0.51 -2.53 116.97 121.54 2wc6 h TYR 76 Ca 0.12 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 2wc6 h TYR 76 Cb 0.59 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 2wc6 h TYR 76 CO 0.03 0.38 0.35 0.82 -1.64 0.00 0.00 178.16 178.11 2wc6 h ILE 77 N -0.17 1.25 0.00 1.81 2.04 -0.75 -2.07 117.51 119.63 2wc6 h ILE 77 Ca 0.02 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2wc6 h ILE 77 Cb 0.33 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2wc6 h ILE 77 CO 0.00 0.30 0.00 0.29 0.00 0.00 0.00 178.15 178.74 2wc6 n LYS 78 N -4.37 0.15 0.00 2.37 5.02 -0.50 -2.44 118.16 118.40 2wc6 n LYS 78 Ca 0.07 0.39 0.09 0.00 -2.02 0.00 0.00 58.31 56.84 2wc6 n LYS 78 Cb 0.15 -1.80 0.48 0.00 -0.02 0.00 0.00 35.03 33.84 2wc6 n LYS 78 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2wc6 n SER 79 N -2.09 0.00 -4.80 4.39 3.41 -0.78 -4.58 113.62 109.18 2wc6 n SER 79 Ca 0.02 -0.14 -0.26 0.00 -0.26 0.00 0.00 58.87 58.23 2wc6 n SER 79 Cb 0.21 -0.21 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2wc6 n SER 79 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2wc6 s PHE 80 N -2.41 3.14 0.15 7.33 0.08 -1.02 -5.03 117.98 120.21 2wc6 s PHE 80 Ca 0.20 -0.03 -0.33 0.00 0.12 0.00 0.00 56.93 56.89 2wc6 s PHE 80 Cb 0.12 -1.50 -0.13 0.00 -0.57 0.00 0.00 43.02 40.94 2wc6 s PHE 80 CO 0.26 0.52 1.66 -2.30 -0.10 0.00 0.00 175.22 175.26 2wc6 n PRO 81 N -0.40 2.36 -1.48 0.24 -0.02 -1.26 -0.64 135.00 133.80 2wc6 n PRO 81 Ca -0.08 0.85 -0.17 0.00 -2.02 0.00 0.00 63.50 62.08 2wc6 n PRO 81 Cb 0.55 -2.66 -0.07 0.00 -0.02 0.00 0.00 33.50 31.30 2wc6 n PRO 81 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wc6 n ASN 82 N 3.98 -4.85 -0.24 2.55 3.02 -1.26 -4.83 115.26 113.63 2wc6 n ASN 82 Ca 0.17 0.42 0.26 0.00 -0.03 0.00 0.00 54.58 55.40 2wc6 n ASN 82 Cb 0.31 -4.22 0.63 0.00 -0.61 0.00 0.00 39.78 35.89 2wc6 n ASN 82 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2wc6 h GLY 83 N 0.00 0.45 1.94 7.41 0.00 -1.05 -0.98 103.07 110.84 2wc6 h GLY 83 Ca -0.35 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 46.91 2wc6 h GLY 83 CO 0.51 -0.03 0.02 -1.61 0.00 0.00 0.00 176.54 175.43 2wc6 h GLN 84 N 0.18 0.00 0.00 4.80 4.15 -1.83 -1.87 115.11 120.54 2wc6 h GLN 84 Ca 0.49 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.90 2wc6 h GLN 84 Cb 1.61 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.30 2wc6 h GLN 84 CO -0.10 0.00 -0.04 -0.39 -1.93 0.00 0.00 178.83 176.36 2wc6 h VAL 85 N 0.00 0.16 0.00 2.39 -1.51 -1.57 -3.24 116.25 112.47 2wc6 h VAL 85 Ca 0.01 -0.45 -0.21 0.00 -1.23 0.00 0.00 66.70 64.82 2wc6 h VAL 85 Cb 0.06 1.38 -0.04 0.00 -2.13 0.00 0.00 31.29 30.56 2wc6 h VAL 85 CO -0.00 0.04 -1.97 -0.11 -1.23 0.00 0.00 177.57 174.30 2wc6 n LEU 86 N -3.22 0.00 -0.09 4.19 7.94 -0.75 -4.59 117.00 120.48 2wc6 n LEU 86 Ca -0.01 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.82 2wc6 n LEU 86 Cb 0.25 0.29 0.01 0.00 0.53 0.00 0.00 43.42 44.49 2wc6 n LEU 86 CO 0.26 0.29 0.91 0.00 -1.11 0.00 0.00 177.39 177.74 2wc6 h ALA 87 N 0.92 0.34 0.19 1.96 0.00 -1.46 -0.75 119.26 120.46 2wc6 h ALA 87 Ca -0.32 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2wc6 h ALA 87 Cb 1.67 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2wc6 h ALA 87 CO 0.02 -0.32 -0.09 0.93 0.00 0.00 0.00 179.25 179.78 2wc6 h GLU 88 N 0.20 -0.24 -0.85 0.00 4.39 -1.86 -2.60 114.58 113.62 2wc6 h GLU 88 Ca 0.15 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 2wc6 h GLU 88 Cb 0.14 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 2wc6 h GLU 88 CO -0.18 -0.07 0.46 -0.22 -1.16 0.00 0.00 179.01 177.85 2wc6 h LYS 89 N -0.37 1.19 -0.47 2.33 3.64 -1.78 -2.31 116.57 118.81 2wc6 h LYS 89 Ca -0.03 -0.14 -0.11 0.00 -1.27 0.00 0.00 60.65 59.11 2wc6 h LYS 89 Cb 0.28 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2wc6 h LYS 89 CO 0.04 0.88 -0.12 1.98 -2.27 0.00 0.00 179.45 179.96 2wc6 h MET 90 N 1.19 0.91 -0.43 1.90 4.05 -1.00 0.19 114.93 121.74 2wc6 h MET 90 Ca 0.30 -0.35 -0.04 0.00 -0.28 0.00 0.00 59.70 59.33 2wc6 h MET 90 Cb 0.04 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.77 2wc6 h MET 90 CO -0.05 1.01 0.11 0.28 0.23 0.00 0.00 176.91 178.49 2wc6 h VAL 91 N 0.76 1.23 -0.02 -5.77 2.07 -1.36 -0.32 116.25 112.84 2wc6 h VAL 91 Ca 0.12 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 2wc6 h VAL 91 Cb 0.67 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2wc6 h VAL 91 CO 0.05 0.28 0.01 0.50 0.02 0.00 0.00 177.57 178.43 2wc6 h LYS 92 N 0.56 0.03 0.03 1.57 3.64 -1.13 0.19 116.57 121.46 2wc6 h LYS 92 Ca 0.14 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2wc6 h LYS 92 Cb 0.30 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2wc6 h LYS 92 CO -0.00 0.12 -0.02 1.25 -2.27 0.00 0.00 179.45 178.53 2wc6 h LEU 93 N -0.07 -0.06 -0.35 5.20 6.46 -0.38 -0.96 115.31 125.15 2wc6 h LEU 93 Ca 0.01 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 57.81 2wc6 h LEU 93 Cb 0.10 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 2wc6 h LEU 93 CO -0.00 -0.04 0.12 0.40 -0.62 0.00 0.00 178.44 178.30 2wc6 h ILE 94 N -0.06 0.89 -0.56 4.05 2.04 -0.91 -2.47 117.51 120.49 2wc6 h ILE 94 Ca -0.00 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 2wc6 h ILE 94 Cb 0.05 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 2wc6 h ILE 94 CO 0.00 0.05 0.25 -0.74 0.00 0.00 0.00 178.15 177.70 2wc6 h HIS 95 N 0.26 0.80 -0.87 1.37 2.76 -0.47 -0.62 115.15 118.38 2wc6 h HIS 95 Ca 0.16 -0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.31 2wc6 h HIS 95 Cb 0.14 -0.25 -0.05 0.00 1.55 0.00 0.00 27.41 28.81 2wc6 h HIS 95 CO -0.15 0.61 0.57 -0.97 -1.30 0.00 0.00 177.93 176.69 2wc6 h ASN 96 N 0.80 0.97 -0.33 3.26 -1.24 -0.88 -1.49 115.58 116.67 2wc6 h ASN 96 Ca 0.19 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.16 2wc6 h ASN 96 Cb 0.13 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 2wc6 h ASN 96 CO -0.02 0.69 0.09 0.00 -1.29 0.00 0.00 177.43 176.90 2wc6 h GLU 98 N 0.37 0.61 -0.36 0.00 5.08 -0.65 -1.22 114.58 118.43 2wc6 h GLU 98 Ca 0.10 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2wc6 h GLU 98 Cb 0.27 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2wc6 h GLU 98 CO -0.00 0.41 0.18 0.87 -1.00 0.00 0.00 179.01 179.46 2wc6 h LYS 99 N 0.63 0.49 0.00 2.33 1.57 -1.15 -2.33 116.57 118.10 2wc6 h LYS 99 Ca 0.40 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2wc6 h LYS 99 Cb 0.47 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 2wc6 h LYS 99 CO -0.30 0.38 -0.01 1.96 -0.57 0.00 0.00 179.45 180.90 2wc6 h GLN 100 N 0.49 0.00 -0.10 3.15 4.20 -1.10 -2.99 115.11 118.75 2wc6 h GLN 100 Ca 0.13 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 2wc6 h GLN 100 Cb 0.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2wc6 h GLN 100 CO -0.02 0.01 -0.04 1.19 -0.67 0.00 0.00 178.83 179.30 2wc6 n PHE 101 N -3.10 0.36 0.26 2.96 3.72 -0.99 -4.75 117.46 115.92 2wc6 n PHE 101 Ca 0.02 -1.03 0.13 0.00 -0.05 0.00 0.00 57.45 56.51 2wc6 n PHE 101 Cb 0.39 -0.23 0.62 0.00 -0.94 0.00 0.00 39.48 39.32 2wc6 n PHE 101 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2wc6 h ASP 102 N 0.69 0.00 -0.19 4.37 3.58 -1.28 -1.67 116.42 121.92 2wc6 h ASP 102 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2wc6 h ASP 102 Cb 1.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.23 2wc6 h ASP 102 CO 0.09 0.00 0.00 0.35 -2.88 0.00 0.00 179.24 176.80 2wc6 n THR 103 N -2.38 0.24 -3.01 2.25 -2.24 -1.26 -4.67 114.28 103.22 2wc6 n THR 103 Ca -0.00 -0.48 -0.43 0.00 -2.27 0.00 0.00 64.05 60.87 2wc6 n THR 103 Cb 0.12 0.75 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 2wc6 n THR 103 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wc6 s GLU 104 N -1.76 3.35 0.16 -0.78 2.56 -0.63 -4.93 118.70 116.67 2wc6 s GLU 104 Ca 0.34 -0.23 0.19 0.00 0.00 0.00 0.00 54.97 55.28 2wc6 s GLU 104 Cb 0.20 -3.96 -0.03 0.00 2.00 0.00 0.00 34.13 32.34 2wc6 s GLU 104 CO 0.29 -1.12 1.01 1.79 -0.56 0.00 0.00 175.26 176.68 2wc6 h THR 105 N 5.95 0.29 -2.30 -1.70 1.35 -1.87 -3.43 112.91 111.19 2wc6 h THR 105 Ca -0.25 -1.54 -0.55 0.00 -0.55 0.00 0.00 66.41 63.52 2wc6 h THR 105 Cb 1.09 1.84 0.01 0.00 -1.73 0.00 0.00 68.15 69.35 2wc6 h THR 105 CO 0.95 0.16 1.29 -0.62 -0.25 0.00 0.00 175.52 177.06 2wc6 s ASP 106 N -5.69 6.16 0.08 5.36 2.15 -1.26 -4.88 116.67 118.59 2wc6 s ASP 106 Ca -0.01 2.35 -0.21 0.00 0.43 0.00 0.00 52.55 55.11 2wc6 s ASP 106 Cb 0.09 -2.52 -0.12 0.00 -0.30 0.00 0.00 42.92 40.06 2wc6 s ASP 106 CO 0.79 -1.33 1.60 0.44 -0.17 0.00 0.00 175.17 176.50 2wc6 h ASP 107 N 11.86 0.18 -0.89 -0.34 3.32 -1.98 0.21 116.42 128.78 2wc6 h ASP 107 Ca -0.45 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.40 2wc6 h ASP 107 Cb 1.23 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.69 2wc6 h ASP 107 CO 0.95 0.31 0.50 0.00 -1.72 0.00 0.00 179.24 179.28 2wc6 h THR 109 N 1.25 1.43 -0.74 0.00 2.02 -1.76 -2.05 112.91 113.05 2wc6 h THR 109 Ca 0.32 -1.48 0.13 0.00 0.77 0.00 0.00 66.41 66.15 2wc6 h THR 109 Cb 0.01 2.26 -0.09 0.00 -1.74 0.00 0.00 68.15 68.59 2wc6 h THR 109 CO -0.05 0.41 0.31 -0.09 0.37 0.00 0.00 175.52 176.47 2wc6 h ARG 110 N -0.31 0.47 -0.22 6.66 2.43 -0.49 -1.60 114.38 121.31 2wc6 h ARG 110 Ca -0.00 -0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 58.95 2wc6 h ARG 110 Cb 0.73 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 2wc6 h ARG 110 CO 0.03 0.31 -0.63 0.28 -1.51 0.00 0.00 179.97 178.45 2wc6 h VAL 111 N 0.48 1.29 -0.46 0.20 2.07 -1.13 0.14 116.25 118.84 2wc6 h VAL 111 Ca 0.40 -1.84 -0.09 0.00 0.82 0.00 0.00 66.70 65.99 2wc6 h VAL 111 Cb 0.57 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 2wc6 h VAL 111 CO -0.37 0.59 -0.07 1.62 0.02 0.00 0.00 177.57 179.35 2wc6 h VAL 112 N 0.57 1.25 -0.45 2.57 3.04 -1.17 0.27 116.25 122.33 2wc6 h VAL 112 Ca -0.01 -1.13 -0.07 0.00 -1.01 0.00 0.00 66.70 64.48 2wc6 h VAL 112 Cb 1.23 0.98 -0.02 0.00 -2.01 0.00 0.00 31.29 31.47 2wc6 h VAL 112 CO 0.13 0.39 -0.01 0.11 -1.01 0.00 0.00 177.57 177.19 2wc6 h LYS 113 N 0.75 0.80 -0.73 4.17 1.57 -0.87 -1.16 116.57 121.10 2wc6 h LYS 113 Ca 0.13 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2wc6 h LYS 113 Cb 0.56 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 2wc6 h LYS 113 CO 0.03 0.86 0.42 0.28 -0.57 0.00 0.00 179.45 180.48 2wc6 h VAL 114 N 0.64 1.21 -0.71 0.50 2.07 -0.47 -1.87 116.25 117.64 2wc6 h VAL 114 Ca 0.13 -0.50 0.05 0.00 0.82 0.00 0.00 66.70 67.20 2wc6 h VAL 114 Cb 0.51 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 2wc6 h VAL 114 CO 0.02 0.23 0.42 0.00 0.02 0.00 0.00 177.57 178.26 2wc6 h ALA 115 N 1.22 0.95 -0.54 1.67 0.00 -0.20 -0.14 119.26 122.21 2wc6 h ALA 115 Ca 0.26 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 2wc6 h ALA 115 Cb -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2wc6 h ALA 115 CO -0.05 0.13 -0.11 0.00 0.00 0.00 0.00 179.25 179.23 2wc6 h ALA 116 N 1.34 0.79 -0.48 0.00 0.00 -0.94 -0.46 119.26 119.51 2wc6 h ALA 116 Ca 0.31 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2wc6 h ALA 116 Cb 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2wc6 h ALA 116 CO -0.16 0.67 0.10 0.00 0.00 0.00 0.00 179.25 179.85 2wc6 h PHE 118 N 0.67 1.02 0.10 0.00 3.57 -0.78 0.23 116.94 121.74 2wc6 h PHE 118 Ca 0.15 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2wc6 h PHE 118 Cb 0.37 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.79 2wc6 h PHE 118 CO 0.02 0.74 -0.05 -0.22 -2.23 0.00 0.00 178.31 176.57 2wc6 h LYS 119 N 1.01 -0.13 -0.78 1.11 3.64 -0.91 0.19 116.57 120.69 2wc6 h LYS 119 Ca 0.25 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.60 2wc6 h LYS 119 Cb 0.08 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 2wc6 h LYS 119 CO -0.04 -0.03 0.32 1.49 -2.27 0.00 0.00 179.45 178.93 2wc6 h GLU 120 N -0.21 1.16 -0.01 1.90 4.81 -1.06 -2.12 114.58 119.04 2wc6 h GLU 120 Ca -0.01 -0.20 -0.17 0.00 -0.13 0.00 0.00 59.36 58.85 2wc6 h GLU 120 Cb 0.17 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2wc6 h GLU 120 CO 0.02 0.93 -0.77 -0.44 -0.73 0.00 0.00 179.01 178.02 2wc6 h ASP 121 N 1.13 0.13 -0.35 1.04 3.32 -0.46 -2.25 116.42 118.98 2wc6 h ASP 121 Ca 0.26 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.23 2wc6 h ASP 121 Cb 0.20 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2wc6 h ASP 121 CO -0.02 0.84 0.22 0.28 -1.72 0.00 0.00 179.24 178.84 2wc6 h SER 122 N 0.06 0.36 -0.09 6.45 0.02 -0.46 0.24 113.55 120.14 2wc6 h SER 122 Ca -0.02 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2wc6 h SER 122 Cb 1.35 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 2wc6 h SER 122 CO 0.11 0.26 0.03 0.03 -1.14 0.00 0.00 176.83 176.12 2wc6 h ARG 123 N 0.44 0.07 -0.95 3.45 3.08 -1.27 0.15 114.38 119.35 2wc6 h ARG 123 Ca 0.14 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.27 2wc6 h ARG 123 Cb -0.02 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 29.95 2wc6 h ARG 123 CO -0.05 0.05 0.61 -0.22 -1.07 0.00 0.00 179.97 179.29 2wc6 h LYS 124 N 0.07 0.99 -0.01 0.04 3.64 -1.11 -2.33 116.57 117.86 2wc6 h LYS 124 Ca 0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2wc6 h LYS 124 Cb 0.02 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 2wc6 h LYS 124 CO -0.04 0.66 -0.23 0.39 -2.27 0.00 0.00 179.45 177.96 2wc6 n GLU 125 N -4.53 1.30 -1.54 1.90 -0.58 0.05 -4.96 120.64 112.28 2wc6 n GLU 125 Ca 0.16 -0.91 0.00 0.00 -0.42 0.00 0.00 57.16 55.99 2wc6 n GLU 125 Cb 0.26 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 2wc6 n GLU 125 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wc6 n GLY 126 N 1.33 0.49 0.40 0.62 0.00 -0.33 -4.97 105.19 102.73 2wc6 n GLY 126 Ca 0.13 -0.87 0.05 0.00 0.00 0.00 0.00 46.02 45.32 2wc6 n GLY 126 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wc6 n ILE 127 N -3.48 1.33 -3.09 -0.61 -5.35 0.36 -3.59 119.36 104.92 2wc6 n ILE 127 Ca 0.00 -1.31 -0.41 0.00 -0.27 0.00 0.00 62.75 60.76 2wc6 n ILE 127 Cb 0.31 0.28 -0.06 0.00 -1.74 0.00 0.00 39.64 38.43 2wc6 n ILE 127 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wc6 s ALA 128 N -1.55 3.59 0.67 -1.28 0.00 -1.14 -4.21 121.76 117.85 2wc6 s ALA 128 Ca 0.20 -0.36 -0.11 0.00 0.00 0.00 0.00 51.96 51.69 2wc6 s ALA 128 Cb 0.14 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 20.22 2wc6 s ALA 128 CO 0.08 -0.74 1.06 -1.25 0.00 0.00 0.00 175.76 174.91 2wc6 s PRO 129 N 2.34 3.14 0.44 0.00 0.04 -1.26 -4.81 135.00 134.89 2wc6 s PRO 129 Ca 0.28 0.67 -0.09 0.00 0.04 0.00 0.00 61.00 61.90 2wc6 s PRO 129 Cb -0.16 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 2wc6 s PRO 129 CO 0.09 -0.88 0.79 -1.21 0.04 0.00 0.00 177.00 175.83 2wc6 s GLU 130 N -5.22 3.70 0.30 4.56 0.41 -1.26 -4.92 118.70 116.27 2wc6 s GLU 130 Ca 0.57 0.41 0.04 0.00 -0.41 0.00 0.00 54.97 55.57 2wc6 s GLU 130 Cb -0.12 -2.37 0.65 0.00 -1.78 0.00 0.00 34.13 30.51 2wc6 s GLU 130 CO 0.53 -0.12 1.81 0.28 -0.49 0.00 0.00 175.26 177.28 2wc6 h VAL 131 N 0.75 0.83 -0.26 2.63 2.07 -1.86 -2.07 116.25 118.34 2wc6 h VAL 131 Ca -0.47 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 66.79 2wc6 h VAL 131 Cb 1.19 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2wc6 h VAL 131 CO 0.63 0.16 0.18 0.00 0.02 0.00 0.00 177.57 178.56 2wc6 h ALA 132 N 1.59 2.04 -0.11 1.67 0.00 -1.97 0.11 119.26 122.59 2wc6 h ALA 132 Ca 0.53 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.34 2wc6 h ALA 132 Cb 0.68 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2wc6 h ALA 132 CO -0.31 -0.09 -0.28 0.52 0.00 0.00 0.00 179.25 179.09 2wc6 h MET 133 N 0.17 0.38 -0.22 0.00 2.86 -1.77 -1.48 114.93 114.87 2wc6 h MET 133 Ca 0.11 -0.26 0.04 0.00 -2.06 0.00 0.00 59.70 57.53 2wc6 h MET 133 Cb 0.25 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 2wc6 h MET 133 CO -0.02 0.88 -0.01 0.28 1.06 0.00 0.00 176.91 179.10 2wc6 h VAL 134 N -0.05 0.83 -0.66 -2.22 2.07 -1.25 -2.74 116.25 112.23 2wc6 h VAL 134 Ca -0.00 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.57 2wc6 h VAL 134 Cb 0.89 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 2wc6 h VAL 134 CO 0.06 0.01 0.35 -0.33 0.02 0.00 0.00 177.57 177.68 2wc6 h GLU 135 N 0.06 0.61 -0.95 1.57 5.08 -0.82 -2.17 114.58 117.96 2wc6 h GLU 135 Ca 0.10 -0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.56 2wc6 h GLU 135 Cb 0.14 -0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 2wc6 h GLU 135 CO -0.18 0.41 0.61 0.00 -1.00 0.00 0.00 179.01 178.84 2wc6 h ALA 136 N 1.37 1.65 0.26 3.43 0.00 -0.98 0.22 119.26 125.21 2wc6 h ALA 136 Ca 0.31 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2wc6 h ALA 136 Cb 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2wc6 h ALA 136 CO -0.21 0.10 -0.12 0.28 0.00 0.00 0.00 179.25 179.30 2wc6 h VAL 137 N 0.87 0.76 -0.92 0.00 2.07 -1.21 -3.22 116.25 114.59 2wc6 h VAL 137 Ca 0.48 -0.73 0.17 0.00 0.82 0.00 0.00 66.70 67.44 2wc6 h VAL 137 Cb 0.59 1.13 -0.10 0.00 -1.52 0.00 0.00 31.29 31.39 2wc6 h VAL 137 CO -0.24 0.14 0.50 0.40 0.02 0.00 0.00 177.57 178.39 2wc6 h ILE 138 N -0.76 0.69 0.00 4.57 2.04 -1.06 -2.22 117.51 120.78 2wc6 h ILE 138 Ca -0.04 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2wc6 h ILE 138 Cb 0.50 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2wc6 h ILE 138 CO 0.06 0.12 0.00 -0.62 0.00 0.00 0.00 178.15 177.71 2wc6 n GLU 139 N -4.85 0.23 0.10 2.37 1.02 0.76 -3.17 120.64 117.10 2wc6 n GLU 139 Ca 0.20 0.13 -0.03 0.00 -0.02 0.00 0.00 57.16 57.44 2wc6 n GLU 139 Cb 0.51 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.42 2wc6 n GLU 139 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2wc6 h LYS 140 N 0.00 0.00 0.00 3.49 1.57 -1.44 -3.50 116.57 116.68 2wc6 h LYS 140 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wc6 h LYS 140 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2wc6 h LYS 140 CO 0.00 0.79 0.00 0.66 -0.57 0.00 0.00 179.45 180.33