#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ys9 s SER 2 N 0.00 -0.46 0.20 1.61 0.15 -1.26 -5.18 113.70 108.76 2ys9 s SER 2 Ca 0.00 0.14 -0.20 0.00 0.70 0.00 0.00 55.95 56.59 2ys9 s SER 2 Cb 0.00 0.51 0.04 0.00 -1.71 0.00 0.00 66.02 64.86 2ys9 s SER 2 CO 0.00 -0.76 0.59 -0.55 1.20 0.00 0.00 173.24 173.72 2ys9 s SER 3 N -2.12 -0.38 0.00 5.45 0.15 -1.26 -5.18 113.70 110.36 2ys9 s SER 3 Ca -0.04 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2ys9 s SER 3 Cb -0.00 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 2ys9 s SER 3 CO -0.04 -1.08 0.00 0.61 1.20 0.00 0.00 173.24 173.94 2ys9 n GLY 4 N -0.38 2.92 3.83 9.45 0.00 -1.26 -5.16 105.19 114.59 2ys9 n GLY 4 Ca -0.12 -1.09 -0.22 0.00 0.00 0.00 0.00 46.02 44.60 2ys9 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ys9 s SER 5 N 0.00 5.40 -0.01 1.61 0.01 -1.26 -5.08 113.70 114.36 2ys9 s SER 5 Ca 0.00 -0.36 -0.01 0.00 1.31 0.00 0.00 55.95 56.89 2ys9 s SER 5 Cb 0.00 -1.21 -0.00 0.00 0.21 0.00 0.00 66.02 65.02 2ys9 s SER 5 CO 0.00 -0.17 -0.02 -1.54 0.41 0.00 0.00 173.24 171.93 2ys9 n SER 6 N -1.25 0.15 0.00 2.44 3.41 -1.26 -4.86 113.62 112.25 2ys9 n SER 6 Ca -0.05 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 2ys9 n SER 6 Cb 0.59 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2ys9 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ys9 n GLY 7 N 1.71 0.42 2.59 5.00 0.00 -1.26 -4.37 105.19 109.29 2ys9 n GLY 7 Ca -0.01 0.38 -0.22 0.00 0.00 0.00 0.00 46.02 46.17 2ys9 n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ys9 n PRO 8 N 0.00 -2.60 -3.92 1.61 -0.04 -1.26 -5.02 135.00 123.77 2ys9 n PRO 8 Ca 0.00 -1.29 -0.29 0.00 -0.04 0.00 0.00 63.50 61.87 2ys9 n PRO 8 Cb 0.00 -1.21 -0.13 0.00 -0.04 0.00 0.00 33.50 32.12 2ys9 n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ys9 s LEU 9 N 0.00 4.58 1.25 1.53 1.43 -1.26 -5.10 118.68 121.10 2ys9 s LEU 9 Ca 0.53 -3.44 -0.21 0.00 -1.03 0.00 0.00 54.13 49.98 2ys9 s LEU 9 Cb -0.05 -1.64 0.31 0.00 0.03 0.00 0.00 46.19 44.83 2ys9 s LEU 9 CO 0.40 -0.16 1.11 -2.16 0.23 0.00 0.00 176.35 175.78 2ys9 s PRO 10 N -0.88 -1.58 0.64 1.29 0.04 -1.26 -4.97 135.00 128.29 2ys9 s PRO 10 Ca 0.21 -0.20 -0.17 0.00 0.04 0.00 0.00 61.00 60.88 2ys9 s PRO 10 Cb -0.15 -1.57 -0.05 0.00 0.04 0.00 0.00 34.50 32.77 2ys9 s PRO 10 CO -0.08 -3.92 0.69 0.44 0.04 0.00 0.00 177.00 174.17 2ys9 n ILE 11 N -4.88 2.60 -2.26 0.56 -5.35 -1.26 -4.93 119.36 103.83 2ys9 n ILE 11 Ca 0.15 -0.46 -0.36 0.00 -0.27 0.00 0.00 62.75 61.81 2ys9 n ILE 11 Cb 0.60 -0.87 -0.01 0.00 -1.74 0.00 0.00 39.64 37.62 2ys9 n ILE 11 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2ys9 s PRO 12 N -2.62 3.61 0.99 6.28 0.04 -1.26 -5.03 135.00 137.01 2ys9 s PRO 12 Ca 0.70 1.71 -0.12 0.00 0.04 0.00 0.00 61.00 63.33 2ys9 s PRO 12 Cb -0.40 -2.26 0.18 0.00 0.04 0.00 0.00 34.50 32.07 2ys9 s PRO 12 CO 0.53 -0.66 1.09 -1.25 0.04 0.00 0.00 177.00 176.75 2ys9 s PRO 13 N -2.91 0.50 0.91 0.56 0.04 -1.26 -5.04 135.00 127.80 2ys9 s PRO 13 Ca 0.67 0.55 -0.12 0.00 0.04 0.00 0.00 61.00 62.15 2ys9 s PRO 13 Cb -0.27 -1.74 0.14 0.00 0.04 0.00 0.00 34.50 32.67 2ys9 s PRO 13 CO 0.32 -2.70 1.09 -1.25 0.04 0.00 0.00 177.00 174.50 2ys9 s PRO 14 N -4.96 1.11 0.51 0.56 0.04 -1.26 -5.01 135.00 125.98 2ys9 s PRO 14 Ca 0.65 0.77 -0.21 0.00 0.04 0.00 0.00 61.00 62.25 2ys9 s PRO 14 Cb -0.19 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 2ys9 s PRO 14 CO 0.58 -2.33 1.15 -1.25 0.04 0.00 0.00 177.00 175.18 2ys9 s PRO 15 N -4.94 3.54 0.92 0.56 0.04 -1.26 -5.03 135.00 128.83 2ys9 s PRO 15 Ca 0.64 1.69 -0.12 0.00 0.04 0.00 0.00 61.00 63.25 2ys9 s PRO 15 Cb -0.18 -2.19 0.14 0.00 0.04 0.00 0.00 34.50 32.31 2ys9 s PRO 15 CO 0.57 -0.71 1.09 -1.25 0.04 0.00 0.00 177.00 176.74 2ys9 s PRO 16 N -3.02 1.08 -0.29 0.56 0.04 -1.26 -5.03 135.00 127.07 2ys9 s PRO 16 Ca 0.69 0.76 -0.06 0.00 0.04 0.00 0.00 61.00 62.42 2ys9 s PRO 16 Cb -0.26 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.50 2ys9 s PRO 16 CO 0.30 -2.35 0.07 -0.51 0.04 0.00 0.00 177.00 174.56 2ys9 s ASP 17 N -3.42 5.08 0.15 6.66 1.11 -0.58 -4.95 116.67 120.72 2ys9 s ASP 17 Ca 0.64 -0.74 0.23 0.00 0.18 0.00 0.00 52.55 52.86 2ys9 s ASP 17 Cb -0.18 -1.87 0.08 0.00 1.07 0.00 0.00 42.92 42.02 2ys9 s ASP 17 CO 0.57 -0.19 1.09 -0.38 1.18 0.00 0.00 175.17 177.43 2ys9 n ILE 18 N 4.85 0.47 -0.23 0.77 2.08 -1.26 -4.01 119.36 122.03 2ys9 n ILE 18 Ca -0.15 -0.44 0.03 0.00 0.56 0.00 0.00 62.75 62.75 2ys9 n ILE 18 Cb 0.48 -0.20 0.14 0.00 -0.75 0.00 0.00 39.64 39.31 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 0.34 -0.69 0.38 4.20 -1.98 0.71 115.11 118.08 2ys9 h GLN 19 Ca 0.00 -0.02 0.15 0.00 0.06 0.00 0.00 58.65 58.84 2ys9 h GLN 19 Cb 0.90 -0.08 -0.12 0.00 0.30 0.00 0.00 27.48 28.49 2ys9 h GLN 19 CO 0.00 0.23 0.01 -1.35 -0.67 0.00 0.00 178.83 177.05 2ys9 h PRO 20 N 0.35 0.11 0.10 1.46 0.11 -1.95 0.55 132.00 132.73 2ys9 h PRO 20 Ca 0.36 -0.01 -0.28 0.00 0.11 0.00 0.00 66.00 66.19 2ys9 h PRO 20 Cb 0.53 -0.03 0.02 0.00 0.11 0.00 0.00 31.00 31.64 2ys9 h PRO 20 CO -0.40 0.08 -1.18 -0.07 -0.21 0.00 0.00 178.00 176.22 2ys9 h LEU 21 N 0.12 0.70 -0.26 2.35 3.38 -1.61 -2.78 115.31 117.21 2ys9 h LEU 21 Ca 0.37 -0.65 0.05 0.00 0.09 0.00 0.00 57.88 57.74 2ys9 h LEU 21 Cb 0.62 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 2ys9 h LEU 21 CO -0.59 1.47 -0.07 -0.33 0.09 0.00 0.00 178.44 179.00 2ys9 h GLU 22 N 0.22 -0.01 0.20 1.13 5.08 0.23 0.55 114.58 121.97 2ys9 h GLU 22 Ca -0.15 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2ys9 h GLU 22 Cb 1.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.11 2ys9 h GLU 22 CO 0.21 -0.01 -0.10 0.00 -1.00 0.00 0.00 179.01 178.12 2ys9 h ARG 23 N -0.01 -0.26 -0.95 2.33 3.08 -1.03 -1.21 114.38 116.32 2ys9 h ARG 23 Ca 0.13 0.02 0.24 0.00 0.07 0.00 0.00 59.98 60.43 2ys9 h ARG 23 Cb 0.21 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.25 2ys9 h ARG 23 CO -0.28 0.07 0.64 -0.92 -1.07 0.00 0.00 179.97 178.41 2ys9 h TYR 24 N -0.61 0.45 0.09 3.04 3.20 -1.31 1.03 116.97 122.87 2ys9 h TYR 24 Ca -0.03 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 2ys9 h TYR 24 Cb 0.44 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.58 2ys9 h TYR 24 CO 0.03 0.09 -0.04 2.35 -1.64 0.00 0.00 178.16 178.95 2ys9 h TRP 25 N 0.32 -0.12 0.00 -3.82 -0.00 -0.74 0.35 115.95 111.93 2ys9 h TRP 25 Ca 0.50 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.39 2ys9 h TRP 25 Cb 1.40 0.04 0.00 0.00 -0.00 0.00 0.00 29.16 30.60 2ys9 h TRP 25 CO -0.00 0.40 0.00 0.00 -0.00 0.00 0.00 178.44 178.84 2ys9 n ALA 26 N -2.59 1.58 -0.11 2.65 0.00 -0.47 0.16 120.51 121.73 2ys9 n ALA 26 Ca -0.07 0.08 -0.19 0.00 0.00 0.00 0.00 53.44 53.26 2ys9 n ALA 26 Cb 0.28 -1.35 -0.07 0.00 0.00 0.00 0.00 19.45 18.31 2ys9 n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ys9 n ALA 27 N -1.73 0.93 -0.11 0.00 0.00 0.35 -4.76 120.51 115.19 2ys9 n ALA 27 Ca 0.02 -0.83 -0.17 0.00 0.00 0.00 0.00 53.44 52.47 2ys9 n ALA 27 Cb 0.20 -0.03 -0.13 0.00 0.00 0.00 0.00 19.45 19.49 2ys9 n ALA 27 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2ys9 n HIS 28 N -4.39 0.12 -2.92 0.00 8.25 0.12 -5.00 115.22 111.39 2ys9 n HIS 28 Ca -0.32 0.03 -0.20 0.00 -0.26 0.00 0.00 57.72 56.96 2ys9 n HIS 28 Cb 0.66 -1.02 0.03 0.00 1.12 0.00 0.00 29.99 30.78 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 -3.18 -4.34 -3.59 -0.41 7.27 0.42 -4.98 117.38 108.58 2ys9 n GLN 29 Ca -0.42 0.83 -0.02 0.00 0.07 0.00 0.00 57.00 57.47 2ys9 n GLN 29 Cb 1.03 -5.51 -0.05 0.00 2.41 0.00 0.00 30.24 28.12 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 -5.56 0.51 0.12 3.69 -2.07 -1.26 -5.04 119.66 110.04 2ys9 s GLN 30 Ca 0.26 1.13 -0.20 0.00 -1.82 0.00 0.00 55.36 54.74 2ys9 s GLN 30 Cb -0.12 0.53 -0.07 0.00 -1.09 0.00 0.00 33.01 32.26 2ys9 s GLN 30 CO 0.33 -0.15 0.63 -1.17 -1.32 0.00 0.00 175.29 173.60 2ys9 s LEU 31 N 2.35 4.50 0.03 2.60 2.96 -1.26 -4.98 118.68 124.88 2ys9 s LEU 31 Ca -0.06 1.34 0.07 0.00 -0.22 0.00 0.00 54.13 55.25 2ys9 s LEU 31 Cb -0.08 -3.09 -0.02 0.00 0.50 0.00 0.00 46.19 43.49 2ys9 s LEU 31 CO -0.18 0.22 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.73 2ys9 s ARG 32 N -1.31 1.44 0.64 1.98 0.52 -1.26 -5.00 118.95 115.95 2ys9 s ARG 32 Ca 0.33 -0.88 0.35 0.00 -0.52 0.00 0.00 55.73 55.01 2ys9 s ARG 32 Cb -0.19 -1.51 1.93 0.00 0.52 0.00 0.00 34.95 35.70 2ys9 s ARG 32 CO 0.21 0.39 2.08 0.93 0.02 0.00 0.00 175.30 178.93 2ys9 h GLU 33 N 5.07 0.00 0.07 3.54 5.08 -1.99 0.34 114.58 126.69 2ys9 h GLU 33 Ca -0.41 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 57.65 2ys9 h GLU 33 Cb 1.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 2ys9 h GLU 33 CO 0.45 0.00 -1.53 0.00 -1.00 0.00 0.00 179.01 176.93 2ys9 h THR 34 N 0.00 1.13 -0.01 1.13 1.03 -2.03 -3.32 112.91 110.84 2ys9 h THR 34 Ca 0.00 -2.83 0.00 0.00 -0.01 0.00 0.00 66.41 63.57 2ys9 h THR 34 Cb 0.34 2.67 0.00 0.00 -1.07 0.00 0.00 68.15 70.09 2ys9 h THR 34 CO 0.00 0.77 -0.39 0.47 -0.01 0.00 0.00 175.52 176.36 2ys9 n ASP 35 N -3.35 1.03 0.36 0.00 8.00 0.16 -4.08 116.55 118.67 2ys9 n ASP 35 Ca -0.15 -0.83 -0.16 0.00 0.71 0.00 0.00 54.79 54.36 2ys9 n ASP 35 Cb 1.03 0.26 -0.08 0.00 -0.02 0.00 0.00 41.12 42.31 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 1.00 0.18 0.00 0.53 2.04 -0.56 0.11 117.51 120.82 2ys9 h ILE 36 Ca 0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2ys9 h ILE 36 Cb 0.54 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2ys9 h ILE 36 CO 0.00 0.02 0.00 1.55 0.00 0.00 0.00 178.15 179.72 2ys9 h PRO 37 N -1.12 0.00 0.03 2.37 0.13 -1.75 -1.26 132.00 130.39 2ys9 h PRO 37 Ca -0.09 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.92 2ys9 h PRO 37 Cb 0.74 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 2ys9 h PRO 37 CO 0.16 0.00 -0.58 0.37 -0.23 0.00 0.00 178.00 177.71 2ys9 h GLN 38 N 0.00 0.06 -0.33 0.86 -0.00 -1.68 -3.25 115.11 110.77 2ys9 h GLN 38 Ca 0.00 -0.10 -0.13 0.00 -0.00 0.00 0.00 58.65 58.42 2ys9 h GLN 38 Cb 0.45 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.97 2ys9 h GLN 38 CO 0.00 1.05 -0.29 -0.07 0.00 0.00 0.00 178.83 179.52 2ys9 h LEU 39 N -0.85 0.83 -1.06 -2.39 3.38 -0.74 -2.99 115.31 111.49 2ys9 h LEU 39 Ca -0.14 -0.46 0.13 0.00 0.09 0.00 0.00 57.88 57.50 2ys9 h LEU 39 Cb 1.24 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.67 2ys9 h LEU 39 CO -0.03 1.11 0.62 -1.28 0.09 0.00 0.00 178.44 178.95 2ys9 h SER 40 N 0.55 0.88 0.69 -0.43 0.87 -1.40 0.22 113.55 114.93 2ys9 h SER 40 Ca 0.06 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.60 2ys9 h SER 40 Cb 0.87 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 2ys9 h SER 40 CO 0.07 0.46 -0.33 1.56 -0.53 0.00 0.00 176.83 178.06 2ys9 h GLN 41 N 0.94 0.00 0.10 2.24 4.20 -1.57 1.00 115.11 122.01 2ys9 h GLN 41 Ca 0.49 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 59.06 2ys9 h GLN 41 Cb 0.54 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.34 2ys9 h GLN 41 CO -0.26 0.33 -0.63 0.00 -0.67 0.00 0.00 178.83 177.60 2ys9 h ALA 42 N 1.67 -0.04 0.00 3.87 0.00 -0.58 -3.26 119.26 120.92 2ys9 h ALA 42 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2ys9 h ALA 42 Cb 0.76 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2ys9 h ALA 42 CO 0.04 0.31 0.00 0.43 0.00 0.00 0.00 179.25 180.03 2ys9 n SER 43 N -4.25 0.00 -2.58 0.00 7.64 0.47 -4.54 113.62 110.36 2ys9 n SER 43 Ca -0.14 -0.44 -0.18 0.00 1.01 0.00 0.00 58.87 59.13 2ys9 n SER 43 Cb 0.73 -0.11 0.04 0.00 -1.01 0.00 0.00 64.21 63.86 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 -1.11 -4.68 -4.68 1.43 5.12 -0.85 -1.53 116.66 110.36 2ys9 n ARG 44 Ca 0.14 0.69 -0.30 0.00 -1.93 0.00 0.00 57.85 56.45 2ys9 n ARG 44 Cb 0.11 -5.15 -0.08 0.00 -1.16 0.00 0.00 32.46 26.18 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 -5.52 2.23 0.26 0.55 1.43 0.29 -4.82 118.68 113.10 2ys9 s LEU 45 Ca 0.31 -1.65 -0.01 0.00 -1.03 0.00 0.00 54.13 51.75 2ys9 s LEU 45 Cb -0.14 -0.54 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 2ys9 s LEU 45 CO 0.39 -0.86 0.47 -0.94 0.23 0.00 0.00 176.35 175.64 2ys9 s SER 46 N -3.78 6.38 0.44 2.29 1.04 -1.26 -4.31 113.70 114.49 2ys9 s SER 46 Ca 0.13 0.48 0.26 0.00 0.48 0.00 0.00 55.95 57.30 2ys9 s SER 46 Cb 0.02 -2.04 1.29 0.00 0.10 0.00 0.00 66.02 65.39 2ys9 s SER 46 CO 0.07 -0.15 1.72 0.74 0.98 0.00 0.00 173.24 176.61 2ys9 h THR 47 N 1.27 0.36 0.08 2.02 2.02 -1.92 0.57 112.91 117.32 2ys9 h THR 47 Ca -0.48 -0.08 -0.26 0.00 0.77 0.00 0.00 66.41 66.36 2ys9 h THR 47 Cb 1.20 0.12 0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2ys9 h THR 47 CO 0.65 0.04 -1.13 -0.61 0.37 0.00 0.00 175.52 174.85 2ys9 h GLN 48 N 0.22 0.37 0.01 6.66 5.75 -1.98 -3.10 115.11 123.04 2ys9 h GLN 48 Ca 0.67 -0.50 0.02 0.00 -0.15 0.00 0.00 58.65 58.69 2ys9 h GLN 48 Cb 2.03 0.17 -0.02 0.00 1.07 0.00 0.00 27.48 30.72 2ys9 h GLN 48 CO -0.28 1.19 -0.12 1.96 -2.65 0.00 0.00 178.83 178.93 2ys9 h GLN 49 N 0.16 -0.21 -0.92 1.69 1.08 -0.24 -1.39 115.11 115.28 2ys9 h GLN 49 Ca -0.12 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2ys9 h GLN 49 Cb 1.81 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 29.24 2ys9 h GLN 49 CO 0.19 -0.14 0.56 0.28 -0.95 0.00 0.00 178.83 178.77 2ys9 h VAL 50 N -0.21 1.25 -0.48 -0.54 2.07 -1.48 -1.15 116.25 115.71 2ys9 h VAL 50 Ca 0.04 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.04 2ys9 h VAL 50 Cb 0.26 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 2ys9 h VAL 50 CO -0.11 0.26 0.29 -0.07 0.02 0.00 0.00 177.57 177.96 2ys9 h LEU 51 N 1.27 0.46 -1.02 2.57 3.38 -1.36 -1.91 115.31 118.70 2ys9 h LEU 51 Ca 0.33 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.20 2ys9 h LEU 51 Cb -0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2ys9 h LEU 51 CO -0.06 0.33 -0.47 -0.78 0.09 0.00 0.00 178.44 177.54 2ys9 h ASP 52 N 0.57 0.04 0.55 -0.43 3.58 -0.89 -2.29 116.42 117.55 2ys9 h ASP 52 Ca 0.19 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.60 2ys9 h ASP 52 Cb 0.01 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2ys9 h ASP 52 CO -0.09 0.51 -0.29 -0.25 -2.88 0.00 0.00 179.24 176.25 2ys9 h TRP 53 N 0.03 -0.75 0.00 0.28 7.01 -0.43 -2.88 115.95 119.21 2ys9 h TRP 53 Ca -0.00 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 2ys9 h TRP 53 Cb 0.85 0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 28.16 2ys9 h TRP 53 CO 0.00 -0.45 -0.06 0.74 -2.79 0.00 0.00 178.44 175.88 2ys9 h PHE 54 N -0.77 0.00 -0.23 2.65 -1.00 -1.52 -1.56 116.94 114.52 2ys9 h PHE 54 Ca -0.08 0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.77 2ys9 h PHE 54 Cb 0.60 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.15 2ys9 h PHE 54 CO 0.06 0.06 0.28 0.22 -1.61 0.00 0.00 178.31 177.33 2ys9 h ASP 55 N 0.00 0.00 0.97 2.17 3.58 -1.19 0.50 116.42 122.44 2ys9 h ASP 55 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ys9 h ASP 55 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 2ys9 h ASP 55 CO 0.01 0.00 -0.54 0.28 -2.88 0.00 0.00 179.24 176.11 2ys9 h SER 56 N 0.00 0.00 0.36 2.28 0.02 -1.16 -3.32 113.55 111.73 2ys9 h SER 56 Ca 0.11 -0.18 -0.21 0.00 -0.84 0.00 0.00 61.79 60.68 2ys9 h SER 56 Cb 0.67 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 2ys9 h SER 56 CO -0.00 0.09 -0.87 0.03 -1.14 0.00 0.00 176.83 174.93 2ys9 h ARG 57 N 0.00 0.37 -6.62 3.45 -0.00 -0.06 -3.46 114.38 108.06 2ys9 h ARG 57 Ca 0.00 -0.37 -0.46 0.00 -0.50 0.00 0.00 59.98 58.65 2ys9 h ARG 57 Cb 0.75 0.10 0.02 0.00 0.00 0.00 0.00 29.97 30.84 2ys9 h ARG 57 CO 0.00 1.04 -0.14 -0.48 0.00 0.00 0.00 179.97 180.39 2ys9 s LEU 58 N -7.73 3.80 -0.40 3.04 2.34 -1.14 -5.02 118.68 113.57 2ys9 s LEU 58 Ca -0.05 0.33 -0.28 0.00 0.06 0.00 0.00 54.13 54.19 2ys9 s LEU 58 Cb 0.09 -3.21 -0.01 0.00 -0.56 0.00 0.00 46.19 42.50 2ys9 s LEU 58 CO 0.85 -0.54 1.73 -2.16 -1.06 0.00 0.00 176.35 175.17 2ys9 s PRO 59 N -4.45 3.26 0.46 1.48 0.04 -1.26 -4.97 135.00 129.56 2ys9 s PRO 59 Ca 0.45 1.18 -0.24 0.00 0.04 0.00 0.00 61.00 62.43 2ys9 s PRO 59 Cb -0.10 -4.19 -0.07 0.00 0.04 0.00 0.00 34.50 30.18 2ys9 s PRO 59 CO 0.37 -1.95 1.27 -0.65 0.04 0.00 0.00 177.00 176.08 2ys9 s GLN 60 N 5.75 3.66 -0.49 4.56 -0.21 -1.26 -4.91 119.66 126.75 2ys9 s GLN 60 Ca 0.74 2.05 -0.27 0.00 0.02 0.00 0.00 55.36 57.89 2ys9 s GLN 60 Cb -0.19 -2.49 -0.02 0.00 1.00 0.00 0.00 33.01 31.31 2ys9 s GLN 60 CO 0.31 -0.72 1.78 -1.25 -2.12 0.00 0.00 175.29 173.30 2ys9 s PRO 61 N -2.59 2.99 -0.18 2.91 0.04 -1.26 -4.82 135.00 132.09 2ys9 s PRO 61 Ca 0.63 0.93 0.14 0.00 0.04 0.00 0.00 61.00 62.75 2ys9 s PRO 61 Cb -0.35 -4.28 0.44 0.00 0.04 0.00 0.00 34.50 30.34 2ys9 s PRO 61 CO 0.44 -2.29 1.20 0.00 0.04 0.00 0.00 177.00 176.39 2ys9 n ALA 62 N 11.41 3.56 -2.76 8.56 0.00 -1.26 -5.05 120.51 134.97 2ys9 n ALA 62 Ca 0.21 -3.15 -0.09 0.00 0.00 0.00 0.00 53.44 50.40 2ys9 n ALA 62 Cb 0.50 -0.46 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 2ys9 n ALA 62 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ys9 s GLU 63 N -2.66 1.01 -0.19 0.00 0.41 -1.26 -5.07 118.70 110.94 2ys9 s GLU 63 Ca 0.39 -0.93 0.05 0.00 -0.41 0.00 0.00 54.97 54.06 2ys9 s GLU 63 Cb 0.38 0.40 -0.15 0.00 -1.78 0.00 0.00 34.13 32.98 2ys9 s GLU 63 CO -0.07 -0.36 -0.12 1.55 -0.49 0.00 0.00 175.26 175.77 2ys9 n VAL 64 N -0.16 1.14 -4.02 2.63 3.14 -1.26 -4.94 118.33 114.86 2ys9 n VAL 64 Ca -0.13 -0.50 -0.35 0.00 -2.96 0.00 0.00 64.34 60.40 2ys9 n VAL 64 Cb 0.63 -1.05 -0.13 0.00 -1.06 0.00 0.00 33.84 32.23 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 -5.69 4.80 -0.64 6.55 0.01 -1.26 -4.99 113.70 112.48 2ys9 s SER 65 Ca -0.22 -0.22 -0.15 0.00 1.31 0.00 0.00 55.95 56.67 2ys9 s SER 65 Cb 0.06 -1.83 -0.17 0.00 0.21 0.00 0.00 66.02 64.30 2ys9 s SER 65 CO 0.51 0.04 1.61 0.61 0.41 0.00 0.00 173.24 176.42 2ys9 n GLY 66 N 4.38 -0.32 3.77 3.44 0.00 -1.26 -4.80 105.19 110.40 2ys9 n GLY 66 Ca -0.17 0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 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 5.31 4.40 0.10 1.61 0.04 -1.26 -5.00 135.00 140.19 2ys9 s PRO 67 Ca 0.86 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 63.63 2ys9 s PRO 67 Cb -0.71 -3.05 -0.05 0.00 0.04 0.00 0.00 34.50 30.73 2ys9 s PRO 67 CO 0.33 -0.08 0.96 0.45 0.04 0.00 0.00 177.00 178.70 2ys9 s SER 68 N -0.71 7.48 -1.62 6.66 0.15 -1.26 -3.69 113.70 120.70 2ys9 s SER 68 Ca 0.49 1.77 -0.15 0.00 0.70 0.00 0.00 55.95 58.76 2ys9 s SER 68 Cb -0.36 -2.58 0.12 0.00 -1.71 0.00 0.00 66.02 61.49 2ys9 s SER 68 CO 0.47 -0.09 0.77 -0.24 1.20 0.00 0.00 173.24 175.35 2ys9 n SER 69 N 2.92 -3.14 0.00 5.45 2.88 -1.26 -5.30 113.62 115.17 2ys9 n SER 69 Ca 0.03 -0.96 0.00 0.00 -1.33 0.00 0.00 58.87 56.60 2ys9 n SER 69 Cb 0.49 -3.05 0.00 0.00 -0.75 0.00 0.00 64.21 60.91 2ys9 n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42