#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ys9 h SER 2 N 0.00 0.07 -2.86 1.61 0.02 -2.04 -3.46 113.55 106.89 2ys9 h SER 2 Ca 0.00 -0.82 0.07 0.00 -0.84 0.00 0.00 61.79 60.21 2ys9 h SER 2 Cb 0.00 -0.02 -0.25 0.00 0.14 0.00 0.00 62.40 62.26 2ys9 h SER 2 CO 0.00 1.26 0.31 -0.44 -1.14 0.00 0.00 176.83 176.81 2ys9 s SER 3 N -6.57 -0.60 0.00 3.07 0.01 -1.26 -5.14 113.70 103.21 2ys9 s SER 3 Ca -0.22 1.01 0.00 0.00 1.31 0.00 0.00 55.95 58.05 2ys9 s SER 3 Cb 0.01 1.19 0.00 0.00 0.21 0.00 0.00 66.02 67.43 2ys9 s SER 3 CO 0.67 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.77 2ys9 n GLY 4 N 3.45 2.49 3.38 3.44 0.00 -1.26 -5.15 105.19 111.54 2ys9 n GLY 4 Ca -0.17 -1.19 0.02 0.00 0.00 0.00 0.00 46.02 44.68 2ys9 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ys9 s SER 5 N 0.00 -0.61 -0.08 1.61 1.04 -1.26 -4.99 113.70 109.41 2ys9 s SER 5 Ca 0.00 0.77 -0.08 0.00 0.48 0.00 0.00 55.95 57.12 2ys9 s SER 5 Cb 0.00 1.67 -0.04 0.00 0.10 0.00 0.00 66.02 67.75 2ys9 s SER 5 CO 0.00 -0.12 0.20 -0.44 0.98 0.00 0.00 173.24 173.86 2ys9 s SER 6 N 2.53 6.47 0.67 7.02 0.01 -1.26 -4.87 113.70 124.27 2ys9 s SER 6 Ca -0.02 0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.80 2ys9 s SER 6 Cb -0.07 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 64.06 2ys9 s SER 6 CO -0.17 0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.46 2ys9 n GLY 7 N 1.82 1.57 3.77 3.44 0.00 -1.26 -4.92 105.19 109.62 2ys9 n GLY 7 Ca -0.18 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 2ys9 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ys9 s PRO 8 N 0.00 2.28 0.59 1.61 0.04 -1.26 -4.98 135.00 133.28 2ys9 s PRO 8 Ca 0.00 1.19 -0.19 0.00 0.04 0.00 0.00 61.00 62.04 2ys9 s PRO 8 Cb 0.00 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 2ys9 s PRO 8 CO 0.00 -1.63 1.00 1.47 0.04 0.00 0.00 177.00 177.88 2ys9 n LEU 9 N -3.44 3.81 -4.62 -3.56 -0.00 -1.26 -4.96 117.00 102.96 2ys9 n LEU 9 Ca 0.09 0.83 -0.29 0.00 -0.00 0.00 0.00 56.01 56.64 2ys9 n LEU 9 Cb 0.53 -1.40 0.22 0.00 -0.00 0.00 0.00 43.42 42.76 2ys9 n LEU 9 CO 0.53 -1.74 0.63 -2.16 -0.00 0.00 0.00 177.39 174.64 2ys9 s PRO 10 N -2.74 -0.61 0.31 1.47 0.04 -1.26 -4.92 135.00 127.28 2ys9 s PRO 10 Ca 0.75 0.15 -0.14 0.00 0.04 0.00 0.00 61.00 61.80 2ys9 s PRO 10 Cb -0.42 -1.65 -0.11 0.00 0.04 0.00 0.00 34.50 32.36 2ys9 s PRO 10 CO 0.47 -3.35 0.00 0.44 0.04 0.00 0.00 177.00 174.61 2ys9 n ILE 11 N -4.55 0.28 -1.21 0.56 -6.64 -1.26 -4.89 119.36 101.65 2ys9 n ILE 11 Ca 0.10 -0.35 -0.30 0.00 -1.77 0.00 0.00 62.75 60.43 2ys9 n ILE 11 Cb 0.59 0.00 0.13 0.00 -1.44 0.00 0.00 39.64 38.92 2ys9 n ILE 11 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 2ys9 s PRO 12 N -0.71 1.32 -0.34 6.28 0.04 -1.26 -4.94 135.00 135.39 2ys9 s PRO 12 Ca 0.41 0.84 -0.29 0.00 0.04 0.00 0.00 61.00 62.01 2ys9 s PRO 12 Cb -0.41 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 2ys9 s PRO 12 CO 0.45 -2.21 1.69 -1.25 0.04 0.00 0.00 177.00 175.73 2ys9 s PRO 13 N -4.93 3.43 0.84 0.56 0.04 -1.26 -5.00 135.00 128.68 2ys9 s PRO 13 Ca 0.63 1.34 -0.11 0.00 0.04 0.00 0.00 61.00 62.90 2ys9 s PRO 13 Cb -0.18 -4.14 0.09 0.00 0.04 0.00 0.00 34.50 30.31 2ys9 s PRO 13 CO 0.57 -1.74 1.09 -1.25 0.04 0.00 0.00 177.00 175.71 2ys9 s PRO 14 N 5.40 1.73 0.16 0.56 0.04 -1.26 -4.98 135.00 136.65 2ys9 s PRO 14 Ca 0.75 0.99 -0.31 0.00 0.04 0.00 0.00 61.00 62.47 2ys9 s PRO 14 Cb -0.21 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 2ys9 s PRO 14 CO 0.33 -1.96 1.33 -1.25 0.04 0.00 0.00 177.00 175.49 2ys9 s PRO 15 N -4.92 4.37 0.76 0.56 0.04 -1.26 -5.01 135.00 129.53 2ys9 s PRO 15 Ca 0.62 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.59 2ys9 s PRO 15 Cb -0.18 -3.22 0.05 0.00 0.04 0.00 0.00 34.50 31.19 2ys9 s PRO 15 CO 0.56 -0.32 1.09 -1.25 0.04 0.00 0.00 177.00 177.13 2ys9 s PRO 16 N 0.40 2.33 -0.35 0.56 0.04 -1.26 -5.02 135.00 131.69 2ys9 s PRO 16 Ca 0.60 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.73 2ys9 s PRO 16 Cb -0.36 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.29 2ys9 s PRO 16 CO 0.35 -1.59 0.20 -0.51 0.04 0.00 0.00 177.00 175.48 2ys9 s ASP 17 N -3.28 5.73 0.13 6.66 1.01 -0.59 -4.93 116.67 121.40 2ys9 s ASP 17 Ca 0.62 -0.77 0.23 0.00 0.71 0.00 0.00 52.55 53.34 2ys9 s ASP 17 Cb -0.18 -2.04 -0.04 0.00 1.01 0.00 0.00 42.92 41.68 2ys9 s ASP 17 CO 0.54 -0.31 0.95 -0.38 0.21 0.00 0.00 175.17 176.18 2ys9 n ILE 18 N 5.01 0.42 -0.23 0.77 2.08 -1.26 -4.06 119.36 122.09 2ys9 n ILE 18 Ca -0.13 -0.48 0.04 0.00 0.56 0.00 0.00 62.75 62.75 2ys9 n ILE 18 Cb 0.48 -0.18 0.16 0.00 -0.75 0.00 0.00 39.64 39.34 2ys9 n ILE 18 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 2ys9 h GLN 19 N 0.00 0.28 -0.78 0.38 1.08 -1.98 0.17 115.11 114.27 2ys9 h GLN 19 Ca 0.00 -0.02 0.18 0.00 -1.45 0.00 0.00 58.65 57.36 2ys9 h GLN 19 Cb 0.94 -0.06 -0.12 0.00 -0.05 0.00 0.00 27.48 28.19 2ys9 h GLN 19 CO 0.00 0.19 0.18 -1.35 -0.95 0.00 0.00 178.83 176.90 2ys9 h PRO 20 N 0.29 0.24 0.16 1.46 0.11 -1.95 0.37 132.00 132.68 2ys9 h PRO 20 Ca 0.38 -0.01 -0.30 0.00 0.11 0.00 0.00 66.00 66.17 2ys9 h PRO 20 Cb 0.62 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.68 2ys9 h PRO 20 CO -0.46 0.16 -1.42 -0.07 -0.21 0.00 0.00 178.00 175.99 2ys9 h LEU 21 N 0.24 0.53 -0.47 2.35 3.38 -1.52 -3.08 115.31 116.75 2ys9 h LEU 21 Ca 0.45 -0.62 0.07 0.00 0.09 0.00 0.00 57.88 57.87 2ys9 h LEU 21 Cb 0.81 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 2ys9 h LEU 21 CO -0.56 1.50 0.14 -0.33 0.09 0.00 0.00 178.44 179.28 2ys9 h GLU 22 N 0.09 0.30 0.61 1.13 5.08 0.44 -0.62 114.58 121.61 2ys9 h GLU 22 Ca -0.21 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 2ys9 h GLU 22 Cb 2.04 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 31.23 2ys9 h GLU 22 CO 0.21 0.20 -0.29 0.00 -1.00 0.00 0.00 179.01 178.12 2ys9 h ARG 23 N 0.30 -0.79 -1.25 2.33 2.47 -1.09 -2.88 114.38 113.47 2ys9 h ARG 23 Ca 0.23 0.05 0.37 0.00 -1.26 0.00 0.00 59.98 59.37 2ys9 h ARG 23 Cb 0.26 0.18 -0.10 0.00 -1.65 0.00 0.00 29.97 28.66 2ys9 h ARG 23 CO -0.26 -0.50 0.83 -0.92 0.56 0.00 0.00 179.97 179.68 2ys9 h TYR 24 N -1.18 0.43 0.53 3.04 3.20 -1.43 0.47 116.97 122.02 2ys9 h TYR 24 Ca -0.08 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.78 2ys9 h TYR 24 Cb 0.65 -0.12 0.01 0.00 1.54 0.00 0.00 36.73 38.81 2ys9 h TYR 24 CO 0.00 -0.06 -0.25 2.35 -1.64 0.00 0.00 178.16 178.56 2ys9 h TRP 25 N 0.17 -0.66 0.00 -3.82 2.91 -1.03 -0.05 115.95 113.47 2ys9 h TRP 25 Ca 0.70 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.71 2ys9 h TRP 25 Cb 2.24 0.22 0.00 0.00 -0.51 0.00 0.00 29.16 31.11 2ys9 h TRP 25 CO -0.00 -0.33 0.00 0.00 -1.03 0.00 0.00 178.44 177.07 2ys9 h ALA 26 N -0.62 1.00 0.10 2.65 0.00 -0.74 1.27 119.26 122.91 2ys9 h ALA 26 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2ys9 h ALA 26 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2ys9 h ALA 26 CO 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 179.25 179.32 2ys9 h ALA 27 N 2.03 -0.14 0.00 0.00 0.00 0.01 -3.43 119.26 117.73 2ys9 h ALA 27 Ca 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2ys9 h ALA 27 Cb 0.43 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2ys9 h ALA 27 CO 0.00 -0.16 -1.16 0.72 0.00 0.00 0.00 179.25 178.66 2ys9 n HIS 28 N -4.84 0.00 -3.11 0.00 8.25 -0.08 -5.05 115.22 110.39 2ys9 n HIS 28 Ca -0.05 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.27 2ys9 n HIS 28 Cb 0.20 -0.11 0.06 0.00 1.12 0.00 0.00 29.99 31.26 2ys9 n HIS 28 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2ys9 n GLN 29 N -2.30 -5.09 -3.59 -0.41 7.27 0.43 -5.01 117.38 108.69 2ys9 n GLN 29 Ca -0.04 0.60 -0.01 0.00 0.07 0.00 0.00 57.00 57.62 2ys9 n GLN 29 Cb 0.57 -4.92 -0.04 0.00 2.41 0.00 0.00 30.24 28.25 2ys9 n GLN 29 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 2ys9 s GLN 30 N -5.30 0.51 0.13 3.69 -2.07 -1.26 -5.04 119.66 110.32 2ys9 s GLN 30 Ca 0.14 1.23 -0.26 0.00 -1.82 0.00 0.00 55.36 54.65 2ys9 s GLN 30 Cb -0.06 0.67 -0.07 0.00 -1.09 0.00 0.00 33.01 32.46 2ys9 s GLN 30 CO 0.52 -0.17 0.81 -1.17 -1.32 0.00 0.00 175.29 173.97 2ys9 s LEU 31 N 2.61 4.55 -0.07 2.60 2.96 -1.26 -5.00 118.68 125.06 2ys9 s LEU 31 Ca -0.06 1.63 0.04 0.00 -0.22 0.00 0.00 54.13 55.53 2ys9 s LEU 31 Cb -0.10 -3.34 -0.00 0.00 0.50 0.00 0.00 46.19 43.26 2ys9 s LEU 31 CO -0.19 0.12 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.63 2ys9 s ARG 32 N -0.69 2.32 0.59 1.98 1.81 -1.26 -4.99 118.95 118.71 2ys9 s ARG 32 Ca 0.38 -0.73 0.29 0.00 -1.72 0.00 0.00 55.73 53.96 2ys9 s ARG 32 Cb -0.23 -1.90 1.27 0.00 -0.45 0.00 0.00 34.95 33.64 2ys9 s ARG 32 CO 0.26 0.23 1.63 0.93 -0.68 0.00 0.00 175.30 177.67 2ys9 h GLU 33 N 6.45 0.00 0.08 3.54 5.08 -1.99 1.22 114.58 128.96 2ys9 h GLU 33 Ca -0.28 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.82 2ys9 h GLU 33 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2ys9 h GLU 33 CO 0.47 0.00 -1.22 1.15 -1.00 0.00 0.00 179.01 178.41 2ys9 h THR 34 N 0.00 1.50 0.00 1.13 2.02 -2.02 -3.27 112.91 112.26 2ys9 h THR 34 Ca 0.38 -3.13 0.00 0.00 0.77 0.00 0.00 66.41 64.43 2ys9 h THR 34 Cb 2.08 2.87 0.00 0.00 -1.74 0.00 0.00 68.15 71.36 2ys9 h THR 34 CO -0.00 0.90 -0.54 0.47 0.37 0.00 0.00 175.52 176.72 2ys9 n ASP 35 N -3.45 0.53 0.48 4.18 8.00 0.37 -3.89 116.55 122.77 2ys9 n ASP 35 Ca -0.07 -0.21 -0.20 0.00 0.71 0.00 0.00 54.79 55.02 2ys9 n ASP 35 Cb 1.00 0.26 -0.10 0.00 -0.02 0.00 0.00 41.12 42.27 2ys9 n ASP 35 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2ys9 h ILE 36 N 0.00 0.13 0.00 0.53 2.04 -0.23 0.32 117.51 120.29 2ys9 h ILE 36 Ca 0.00 -0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 2ys9 h ILE 36 Cb 0.54 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2ys9 h ILE 36 CO 0.00 0.00 -0.49 1.55 0.00 0.00 0.00 178.15 179.21 2ys9 h PRO 37 N -1.20 0.00 -0.12 2.37 0.13 -1.74 0.40 132.00 131.84 2ys9 h PRO 37 Ca -0.12 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.86 2ys9 h PRO 37 Cb 0.92 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.05 2ys9 h PRO 37 CO 0.20 0.49 -0.50 0.37 -0.23 0.00 0.00 178.00 178.33 2ys9 h GLN 38 N 0.00 0.56 -0.00 0.86 4.15 -1.65 -2.80 115.11 116.21 2ys9 h GLN 38 Ca -0.00 -0.43 -0.12 0.00 0.77 0.00 0.00 58.65 58.87 2ys9 h GLN 38 Cb 0.86 0.08 0.01 0.00 0.21 0.00 0.00 27.48 28.65 2ys9 h GLN 38 CO 0.06 1.06 -0.45 -0.07 -1.93 0.00 0.00 178.83 177.50 2ys9 h LEU 39 N 0.18 0.40 -1.27 -2.39 3.38 -0.33 -3.18 115.31 112.11 2ys9 h LEU 39 Ca -0.03 -0.76 0.15 0.00 0.09 0.00 0.00 57.88 57.33 2ys9 h LEU 39 Cb 1.13 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 2ys9 h LEU 39 CO 0.10 1.11 0.58 -1.28 0.09 0.00 0.00 178.44 179.05 2ys9 h SER 40 N -0.26 0.66 -0.36 -0.43 0.87 -1.02 0.17 113.55 113.19 2ys9 h SER 40 Ca -0.06 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.46 2ys9 h SER 40 Cb 1.18 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 63.04 2ys9 h SER 40 CO 0.09 0.32 -0.07 1.56 -0.53 0.00 0.00 176.83 178.20 2ys9 h GLN 41 N 0.69 0.77 -0.03 2.24 1.08 -1.53 -0.48 115.11 117.85 2ys9 h GLN 41 Ca 0.46 -0.24 -0.21 0.00 -1.45 0.00 0.00 58.65 57.21 2ys9 h GLN 41 Cb 0.75 -0.07 0.02 0.00 -0.05 0.00 0.00 27.48 28.12 2ys9 h GLN 41 CO -0.22 0.83 -0.81 0.00 -0.95 0.00 0.00 178.83 177.68 2ys9 h ALA 42 N 1.21 0.14 0.00 3.87 0.00 -0.92 -3.08 119.26 120.48 2ys9 h ALA 42 Ca 0.13 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2ys9 h ALA 42 Cb 0.54 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2ys9 h ALA 42 CO 0.03 0.55 0.00 0.43 0.00 0.00 0.00 179.25 180.26 2ys9 n SER 43 N -4.02 0.00 -2.14 0.00 7.64 0.39 -4.56 113.62 110.93 2ys9 n SER 43 Ca -0.10 0.04 -0.17 0.00 1.01 0.00 0.00 58.87 59.65 2ys9 n SER 43 Cb 0.77 -0.29 0.01 0.00 -1.01 0.00 0.00 64.21 63.68 2ys9 n SER 43 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2ys9 n ARG 44 N -1.29 -2.44 -4.66 1.43 5.12 -0.74 -1.55 116.66 112.53 2ys9 n ARG 44 Ca 0.08 0.78 -0.29 0.00 -1.93 0.00 0.00 57.85 56.49 2ys9 n ARG 44 Cb 0.15 -5.24 -0.10 0.00 -1.16 0.00 0.00 32.46 26.11 2ys9 n ARG 44 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2ys9 s LEU 45 N -5.09 2.59 0.46 0.55 1.43 -0.27 -4.85 118.68 113.49 2ys9 s LEU 45 Ca 0.10 -1.49 -0.13 0.00 -1.03 0.00 0.00 54.13 51.58 2ys9 s LEU 45 Cb -0.05 -0.78 -0.07 0.00 0.03 0.00 0.00 46.19 45.33 2ys9 s LEU 45 CO 0.13 -0.63 0.87 -0.44 0.23 0.00 0.00 176.35 176.51 2ys9 s SER 46 N -3.75 6.57 0.51 2.29 0.01 -1.26 -4.37 113.70 113.69 2ys9 s SER 46 Ca 0.24 1.34 0.32 0.00 1.31 0.00 0.00 55.95 59.15 2ys9 s SER 46 Cb 0.07 -2.41 1.44 0.00 0.21 0.00 0.00 66.02 65.32 2ys9 s SER 46 CO 0.12 -0.49 1.81 0.74 0.41 0.00 0.00 173.24 175.84 2ys9 h THR 47 N 1.00 0.46 0.22 1.44 2.02 -1.91 0.20 112.91 116.34 2ys9 h THR 47 Ca -0.47 -0.03 -0.31 0.00 0.77 0.00 0.00 66.41 66.37 2ys9 h THR 47 Cb 1.19 0.36 0.04 0.00 -1.74 0.00 0.00 68.15 68.00 2ys9 h THR 47 CO 0.63 0.02 -1.35 -0.61 0.37 0.00 0.00 175.52 174.57 2ys9 h GLN 48 N 0.09 0.53 -0.57 6.66 5.75 -1.96 -3.23 115.11 122.37 2ys9 h GLN 48 Ca 0.54 -0.86 0.11 0.00 -0.15 0.00 0.00 58.65 58.29 2ys9 h GLN 48 Cb 1.99 0.32 -0.11 0.00 1.07 0.00 0.00 27.48 30.74 2ys9 h GLN 48 CO -0.07 1.41 -0.14 1.96 -2.65 0.00 0.00 178.83 179.34 2ys9 h GLN 49 N 0.10 0.00 -0.61 1.69 1.08 -0.97 -0.20 115.11 116.20 2ys9 h GLN 49 Ca -0.23 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.96 2ys9 h GLN 49 Cb 2.06 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.46 2ys9 h GLN 49 CO 0.26 0.00 0.35 0.28 -0.95 0.00 0.00 178.83 178.77 2ys9 h VAL 50 N 0.00 1.19 -0.89 -0.54 2.07 -1.61 0.30 116.25 116.78 2ys9 h VAL 50 Ca 0.27 -0.45 0.09 0.00 0.82 0.00 0.00 66.70 67.43 2ys9 h VAL 50 Cb 0.42 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 2ys9 h VAL 50 CO -0.58 0.20 0.54 -0.07 0.02 0.00 0.00 177.57 177.68 2ys9 h LEU 51 N 0.83 0.80 -0.30 2.57 3.38 -1.10 -0.98 115.31 120.50 2ys9 h LEU 51 Ca 0.22 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 58.04 2ys9 h LEU 51 Cb 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2ys9 h LEU 51 CO -0.04 0.46 -0.86 -0.78 0.09 0.00 0.00 178.44 177.32 2ys9 h ASP 52 N 0.91 0.07 0.56 -0.43 3.58 -0.81 -2.98 116.42 117.32 2ys9 h ASP 52 Ca 0.42 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.79 2ys9 h ASP 52 Cb 0.34 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.37 2ys9 h ASP 52 CO -0.23 0.89 -0.27 -0.25 -2.88 0.00 0.00 179.24 176.50 2ys9 h TRP 53 N 0.03 -0.69 0.75 0.28 7.01 0.34 -1.58 115.95 122.08 2ys9 h TRP 53 Ca -0.02 -0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.93 2ys9 h TRP 53 Cb 1.50 0.23 0.01 0.00 -2.10 0.00 0.00 29.16 28.80 2ys9 h TRP 53 CO 0.01 -0.42 -0.36 0.74 -2.79 0.00 0.00 178.44 175.62 2ys9 h PHE 54 N -0.79 -0.93 -1.13 2.65 -1.00 -1.42 -2.32 116.94 112.00 2ys9 h PHE 54 Ca -0.08 -0.02 0.33 0.00 2.81 0.00 0.00 57.97 61.01 2ys9 h PHE 54 Cb 0.59 0.31 -0.11 0.00 3.61 0.00 0.00 35.95 40.35 2ys9 h PHE 54 CO -0.03 -0.58 0.72 0.22 -1.61 0.00 0.00 178.31 177.04 2ys9 h ASP 55 N -1.00 0.38 0.59 2.17 1.82 -1.56 1.18 116.42 120.00 2ys9 h ASP 55 Ca -0.10 0.11 -0.11 0.00 -0.39 0.00 0.00 57.03 56.54 2ys9 h ASP 55 Cb 0.77 0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.83 2ys9 h ASP 55 CO 0.17 -0.03 -0.50 -1.28 -1.61 0.00 0.00 179.24 175.98 2ys9 h SER 56 N 0.28 0.00 0.05 2.28 0.87 -0.85 -2.89 113.55 113.28 2ys9 h SER 56 Ca 0.69 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 61.21 2ys9 h SER 56 Cb 1.90 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.85 2ys9 h SER 56 CO -0.37 0.50 -0.12 0.03 -0.53 0.00 0.00 176.83 176.34 2ys9 h ARG 57 N 0.00 0.17 -6.83 2.24 2.47 0.20 -3.43 114.38 109.19 2ys9 h ARG 57 Ca -0.01 -0.03 -0.49 0.00 -1.26 0.00 0.00 59.98 58.19 2ys9 h ARG 57 Cb 0.93 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.22 2ys9 h ARG 57 CO 0.07 0.30 0.14 -0.51 0.56 0.00 0.00 179.97 180.53 2ys9 s LEU 58 N -8.77 3.93 0.00 3.04 1.02 -1.09 -5.08 118.68 111.72 2ys9 s LEU 58 Ca -0.05 1.27 -0.19 0.00 0.02 0.00 0.00 54.13 55.18 2ys9 s LEU 58 Cb 0.16 -4.12 0.28 0.00 0.02 0.00 0.00 46.19 42.53 2ys9 s LEU 58 CO 0.72 -0.32 1.00 -0.81 0.02 0.00 0.00 176.35 176.95 2ys9 n PRO 59 N -0.84 -2.95 -4.08 1.29 -0.04 -1.26 -4.09 135.00 123.02 2ys9 n PRO 59 Ca 0.04 -1.59 -0.28 0.00 -0.04 0.00 0.00 63.50 61.62 2ys9 n PRO 59 Cb 0.54 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 2ys9 n PRO 59 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2ys9 n GLN 60 N -4.54 -0.91 -0.55 0.54 1.13 -1.26 -4.90 117.38 106.89 2ys9 n GLN 60 Ca 0.14 0.07 -0.16 0.00 -1.94 0.00 0.00 57.00 55.11 2ys9 n GLN 60 Cb 0.54 -3.04 0.13 0.00 0.11 0.00 0.00 30.24 27.98 2ys9 n GLN 60 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2ys9 n PRO 61 N -4.15 -2.16 -3.50 -1.09 -0.04 -1.26 -4.99 135.00 117.81 2ys9 n PRO 61 Ca -0.28 -0.93 -0.42 0.00 -0.04 0.00 0.00 63.50 61.83 2ys9 n PRO 61 Cb 0.60 -0.87 -0.05 0.00 -0.04 0.00 0.00 33.50 33.14 2ys9 n PRO 61 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ys9 s ALA 62 N -3.00 3.86 0.35 0.55 0.00 -1.26 -5.06 121.76 117.20 2ys9 s ALA 62 Ca 0.38 -3.29 0.07 0.00 0.00 0.00 0.00 51.96 49.12 2ys9 s ALA 62 Cb -0.04 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 2ys9 s ALA 62 CO 0.29 -2.20 0.37 -1.83 0.00 0.00 0.00 175.76 172.40 2ys9 s GLU 63 N 0.07 2.84 -0.17 0.00 1.03 -1.26 -5.05 118.70 116.16 2ys9 s GLU 63 Ca 0.17 -1.23 0.11 0.00 0.03 0.00 0.00 54.97 54.06 2ys9 s GLU 63 Cb -0.15 -2.59 -0.18 0.00 -0.80 0.00 0.00 34.13 30.41 2ys9 s GLU 63 CO -0.06 0.03 -0.00 1.55 -1.33 0.00 0.00 175.26 175.45 2ys9 n VAL 64 N -1.50 1.10 -3.09 1.83 3.14 -1.26 -4.98 118.33 113.57 2ys9 n VAL 64 Ca -0.00 -0.61 -0.37 0.00 -2.96 0.00 0.00 64.34 60.39 2ys9 n VAL 64 Cb 0.59 -0.74 -0.06 0.00 -1.06 0.00 0.00 33.84 32.57 2ys9 n VAL 64 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2ys9 s SER 65 N -5.19 7.16 0.00 6.55 0.01 -1.26 -5.05 113.70 115.92 2ys9 s SER 65 Ca -0.13 1.47 0.00 0.00 1.31 0.00 0.00 55.95 58.60 2ys9 s SER 65 Cb 0.05 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.85 2ys9 s SER 65 CO 0.60 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.98 2ys9 n GLY 66 N 1.13 -0.41 3.56 3.44 0.00 -1.26 -4.56 105.19 107.09 2ys9 n GLY 66 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 2ys9 n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ys9 s PRO 67 N 0.00 2.56 0.02 1.61 0.04 -1.26 -4.85 135.00 133.12 2ys9 s PRO 67 Ca 0.00 -0.16 -0.29 0.00 0.04 0.00 0.00 61.00 60.59 2ys9 s PRO 67 Cb 0.00 -4.97 0.10 0.00 0.04 0.00 0.00 34.50 29.67 2ys9 s PRO 67 CO 0.00 -3.29 1.12 -1.12 0.04 0.00 0.00 177.00 173.75 2ys9 s SER 68 N 8.05 -0.14 -1.79 6.66 0.01 -1.26 -4.98 113.70 120.25 2ys9 s SER 68 Ca 0.70 -0.20 -0.19 0.00 1.31 0.00 0.00 55.95 57.58 2ys9 s SER 68 Cb -0.07 0.30 0.18 0.00 0.21 0.00 0.00 66.02 66.63 2ys9 s SER 68 CO 0.02 -0.53 0.52 -1.20 0.41 0.00 0.00 173.24 172.46 2ys9 n SER 69 N -0.40 -1.54 0.00 2.44 7.64 -1.26 -5.10 113.62 115.40 2ys9 n SER 69 Ca -0.07 -1.21 0.00 0.00 1.01 0.00 0.00 58.87 58.60 2ys9 n SER 69 Cb 0.61 -1.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.00 2ys9 n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64