#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cry s SER 2 N 0.00 3.97 0.00 1.61 0.01 -1.26 -5.00 113.70 113.03 2cry s SER 2 Ca 0.00 1.66 0.00 0.00 1.31 0.00 0.00 55.95 58.92 2cry s SER 2 Cb 0.00 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.88 2cry s SER 2 CO 0.00 -2.35 0.00 -1.54 0.41 0.00 0.00 173.24 169.76 2cry n SER 3 N -3.71 0.27 0.00 2.44 3.41 -1.26 -5.15 113.62 109.62 2cry n SER 3 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2cry n SER 3 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2cry n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cry n GLY 4 N 2.38 0.03 2.92 5.00 0.00 -1.26 -4.95 105.19 109.31 2cry n GLY 4 Ca 0.00 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 2cry n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cry s SER 5 N -4.00 -0.07 -0.30 1.61 1.04 -1.26 -5.13 113.70 105.58 2cry s SER 5 Ca 0.00 0.19 -0.16 0.00 0.48 0.00 0.00 55.95 56.45 2cry s SER 5 Cb 0.00 0.14 0.18 0.00 0.10 0.00 0.00 66.02 66.44 2cry s SER 5 CO 0.00 -0.07 1.12 -0.94 0.98 0.00 0.00 173.24 174.32 2cry s SER 6 N 0.47 -0.35 -0.30 7.02 1.04 -1.26 -5.15 113.70 115.17 2cry s SER 6 Ca -0.04 0.42 0.02 0.00 0.48 0.00 0.00 55.95 56.83 2cry s SER 6 Cb -0.05 1.38 0.19 0.00 0.10 0.00 0.00 66.02 67.64 2cry s SER 6 CO -0.02 -0.07 0.61 -0.83 0.98 0.00 0.00 173.24 173.92 2cry s GLY 7 N 2.42 -1.11 -0.15 7.32 0.00 -1.26 -5.12 107.32 109.42 2cry s GLY 7 Ca -0.01 1.50 -0.31 0.00 0.00 0.00 0.00 44.72 45.90 2cry s GLY 7 CO -0.15 3.55 2.09 2.41 0.00 0.00 0.00 173.10 181.00 2cry n THR 8 N 5.42 0.47 -1.94 0.90 -1.04 -1.26 -4.89 114.28 111.94 2cry n THR 8 Ca 0.02 -0.28 -0.42 0.00 -2.04 0.00 0.00 64.05 61.33 2cry n THR 8 Cb 0.53 -2.22 -0.03 0.00 -1.82 0.00 0.00 70.33 66.79 2cry n THR 8 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2cry s LEU 9 N 6.39 4.36 -0.17 -4.42 1.43 -1.26 -4.97 118.68 120.04 2cry s LEU 9 Ca 0.98 2.44 -0.30 0.00 -1.03 0.00 0.00 54.13 56.22 2cry s LEU 9 Cb -0.52 -3.56 0.14 0.00 0.03 0.00 0.00 46.19 42.28 2cry s LEU 9 CO 0.43 -0.89 1.05 0.28 0.23 0.00 0.00 176.35 177.44 2cry s THR 10 N 2.88 0.00 -0.07 5.49 -1.32 -1.26 -5.18 115.64 116.18 2cry s THR 10 Ca 0.74 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 61.16 2cry s THR 10 Cb -0.39 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.63 2cry s THR 10 CO 0.32 0.00 0.19 0.68 -2.21 0.00 0.00 174.62 173.60 2cry s VAL 11 N -1.21 -0.01 -0.02 5.08 -7.23 -1.26 -5.16 120.40 110.59 2cry s VAL 11 Ca 0.00 0.04 0.05 0.00 -1.81 0.00 0.00 61.98 60.26 2cry s VAL 11 Cb -0.01 -0.28 -0.01 0.00 0.56 0.00 0.00 36.38 36.64 2cry s VAL 11 CO -0.00 0.02 -0.18 0.54 -0.31 0.00 0.00 175.10 175.16 2cry s ASN 12 N 0.36 2.18 0.00 4.85 4.22 -1.26 -4.66 114.94 120.63 2cry s ASN 12 Ca -0.02 -0.34 0.00 0.00 -2.14 0.00 0.00 52.86 50.36 2cry s ASN 12 Cb -0.04 -0.33 0.00 0.00 1.28 0.00 0.00 41.25 42.17 2cry s ASN 12 CO -0.02 0.21 0.00 0.61 -2.04 0.00 0.00 177.10 175.87 2cry n GLY 13 N 2.75 1.13 3.74 0.45 0.00 -1.16 -4.99 105.19 107.12 2cry n GLY 13 Ca -0.16 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 2cry n GLY 13 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cry s PRO 14 N 0.92 1.74 0.11 1.61 0.04 -1.26 -4.46 135.00 133.70 2cry s PRO 14 Ca 0.00 0.99 -0.31 0.00 0.04 0.00 0.00 61.00 61.72 2cry s PRO 14 Cb 0.00 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.61 2cry s PRO 14 CO 0.00 -1.96 1.36 -1.25 0.04 0.00 0.00 177.00 175.20 2cry s PRO 15 N -4.92 4.34 -0.29 0.56 0.04 -1.26 -4.69 135.00 128.77 2cry s PRO 15 Ca 0.62 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.70 2cry s PRO 15 Cb -0.18 -3.26 0.06 0.00 0.04 0.00 0.00 34.50 31.17 2cry s PRO 15 CO 0.56 -0.41 -0.04 0.42 0.04 0.00 0.00 177.00 177.58 2cry s ILE 16 N 1.09 2.57 -0.53 0.56 1.01 -1.25 -4.27 121.20 120.38 2cry s ILE 16 Ca 0.64 -1.62 -0.19 0.00 0.00 0.00 0.00 60.65 59.48 2cry s ILE 16 Cb -0.36 -2.54 0.07 0.00 0.01 0.00 0.00 42.46 39.64 2cry s ILE 16 CO 0.30 -0.14 0.65 -0.63 0.00 0.00 0.00 174.94 175.12 2cry s ILE 17 N 1.15 4.85 0.00 2.92 1.01 -1.26 -0.41 121.20 129.46 2cry s ILE 17 Ca -0.05 -0.65 -0.00 0.00 0.00 0.00 0.00 60.65 59.95 2cry s ILE 17 Cb -0.20 -4.36 -0.00 0.00 0.01 0.00 0.00 42.46 37.91 2cry s ILE 17 CO -0.04 -0.91 0.64 0.77 0.00 0.00 0.00 174.94 175.41 2cry h SER 18 N 9.06 -0.01 -5.74 3.58 4.64 -1.90 -3.46 113.55 119.72 2cry h SER 18 Ca -0.28 0.00 0.30 0.00 -0.47 0.00 0.00 61.79 61.34 2cry h SER 18 Cb 1.09 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.12 2cry h SER 18 CO 1.01 -0.00 0.83 -0.44 -0.87 0.00 0.00 176.83 177.36 2cry s SER 19 N -2.38 0.01 0.53 4.97 0.01 -1.26 -5.03 113.70 110.55 2cry s SER 19 Ca -0.00 -0.31 0.07 0.00 1.31 0.00 0.00 55.95 57.01 2cry s SER 19 Cb 0.00 0.23 0.05 0.00 0.21 0.00 0.00 66.02 66.51 2cry s SER 19 CO 0.00 -0.45 0.73 0.42 0.41 0.00 0.00 173.24 174.35 2cry s THR 20 N -2.05 2.55 0.03 1.44 -4.23 -1.26 0.00 115.64 112.12 2cry s THR 20 Ca 0.28 -0.91 -0.04 0.00 -1.18 0.00 0.00 61.69 59.84 2cry s THR 20 Cb -0.01 -2.65 -0.01 0.00 1.34 0.00 0.00 72.50 71.17 2cry s THR 20 CO 0.01 0.00 -0.07 1.67 -0.54 0.00 0.00 174.62 175.69 2cry n GLN 21 N -2.17 0.11 0.00 3.99 0.00 0.07 -4.86 117.38 114.52 2cry n GLN 21 Ca 0.11 0.04 0.00 0.00 -0.00 0.00 0.00 57.00 57.16 2cry n GLN 21 Cb 0.60 -0.62 0.00 0.00 0.00 0.00 0.00 30.24 30.22 2cry n GLN 21 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 2cry n THR 22 N -3.53 0.00 -4.01 1.69 -1.04 -1.26 -4.68 114.28 101.45 2cry n THR 22 Ca -0.03 1.02 -0.34 0.00 -2.04 0.00 0.00 64.05 62.66 2cry n THR 22 Cb 0.10 -1.40 -0.06 0.00 -1.82 0.00 0.00 70.33 67.15 2cry n THR 22 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cry n GLN 23 N -2.11 -1.04 -3.64 -2.82 1.13 -1.26 -4.73 117.38 102.91 2cry n GLN 23 Ca 0.00 0.11 -0.10 0.00 -1.94 0.00 0.00 57.00 55.07 2cry n GLN 23 Cb 0.00 -4.31 -0.07 0.00 0.11 0.00 0.00 30.24 25.97 2cry n GLN 23 CO 0.00 0.00 0.00 -3.38 -1.44 0.00 0.00 177.06 172.24 2cry s HIS 24 N -2.89 -0.93 -0.04 1.08 -3.43 -1.26 -3.23 115.29 104.59 2cry s HIS 24 Ca 0.66 2.00 -0.26 0.00 -0.80 0.00 0.00 55.06 56.66 2cry s HIS 24 Cb -0.38 0.49 0.06 0.00 -1.43 0.00 0.00 32.58 31.31 2cry s HIS 24 CO 0.81 -0.46 0.57 0.00 -2.00 0.00 0.00 174.74 173.66 2cry s ALA 25 N 1.13 -1.48 -0.18 -1.38 0.00 -1.20 -4.71 121.76 113.93 2cry s ALA 25 Ca -0.06 1.02 -0.00 0.00 0.00 0.00 0.00 51.96 52.92 2cry s ALA 25 Cb -0.05 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.10 2cry s ALA 25 CO -0.12 -0.34 -0.15 -0.51 0.00 0.00 0.00 175.76 174.64 2cry s LEU 26 N -1.23 2.37 -0.98 0.00 1.43 -1.26 -4.46 118.68 114.55 2cry s LEU 26 Ca -0.12 -0.55 -0.27 0.00 -1.03 0.00 0.00 54.13 52.16 2cry s LEU 26 Cb -0.02 -1.56 -0.23 0.00 0.03 0.00 0.00 46.19 44.42 2cry s LEU 26 CO 0.08 0.02 2.57 0.00 0.23 0.00 0.00 176.35 179.24 2cry n HIS 27 N 4.53 0.47 0.00 0.29 1.44 -1.26 -1.22 115.22 119.46 2cry n HIS 27 Ca -0.20 0.32 0.00 0.00 -2.01 0.00 0.00 57.72 55.83 2cry n HIS 27 Cb 0.51 -2.05 0.00 0.00 0.12 0.00 0.00 29.99 28.56 2cry n HIS 27 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2cry n GLY 28 N 6.22 3.52 3.97 -1.39 0.00 -1.26 -5.10 105.19 111.15 2cry n GLY 28 Ca 0.65 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 2cry n GLY 28 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2cry s GLU 29 N 0.00 1.83 -0.45 1.61 -1.05 -0.36 -4.71 118.70 115.57 2cry s GLU 29 Ca 0.00 -0.79 -0.29 0.00 -0.15 0.00 0.00 54.97 53.74 2cry s GLU 29 Cb 0.00 -2.27 0.01 0.00 -0.44 0.00 0.00 34.13 31.43 2cry s GLU 29 CO 0.00 -1.38 1.39 0.15 0.95 0.00 0.00 175.26 176.37 2cry s LYS 30 N -5.18 3.54 -1.12 -4.83 1.02 -1.26 -4.02 119.74 107.89 2cry s LYS 30 Ca 0.64 0.82 -0.23 0.00 0.02 0.00 0.00 55.97 57.21 2cry s LYS 30 Cb -0.07 -4.03 -0.10 0.00 -0.52 0.00 0.00 37.83 33.11 2cry s LYS 30 CO 0.44 -1.62 1.96 0.20 -0.92 0.00 0.00 175.35 175.42 2cry s GLY 31 N 3.91 0.02 0.60 -3.33 0.00 -1.11 -4.71 107.32 102.70 2cry s GLY 31 Ca 0.59 -1.95 -0.14 0.00 0.00 0.00 0.00 44.72 43.22 2cry s GLY 31 CO 0.31 3.63 1.04 1.62 0.00 0.00 0.00 173.10 179.70 2cry s GLN 32 N 6.81 3.42 -0.21 2.90 0.74 -1.26 -3.35 119.66 128.71 2cry s GLN 32 Ca 0.70 1.02 -0.04 0.00 0.05 0.00 0.00 55.36 57.10 2cry s GLN 32 Cb -0.02 -2.05 0.08 0.00 1.10 0.00 0.00 33.01 32.12 2cry s GLN 32 CO 0.11 -0.72 0.16 0.42 -0.55 0.00 0.00 175.29 174.72 2cry s ILE 33 N -2.73 -0.20 -0.18 -2.34 1.01 -0.93 -4.57 121.20 111.25 2cry s ILE 33 Ca 0.60 -0.27 -0.18 0.00 0.00 0.00 0.00 60.65 60.80 2cry s ILE 33 Cb -0.13 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 2cry s ILE 33 CO 0.42 -0.34 0.49 -0.75 0.00 0.00 0.00 174.94 174.76 2cry s LYS 34 N 2.22 4.21 -0.20 2.79 2.20 -1.26 -2.01 119.74 127.69 2cry s LYS 34 Ca 0.06 0.38 -0.04 0.00 -0.36 0.00 0.00 55.97 56.00 2cry s LYS 34 Cb -0.16 -3.53 -0.02 0.00 -1.51 0.00 0.00 37.83 32.61 2cry s LYS 34 CO -0.17 -0.07 -0.03 0.00 -0.36 0.00 0.00 175.35 174.72 2cry s PHE 36 N 1.05 2.88 -0.59 0.00 0.40 0.10 -3.10 117.98 118.72 2cry s PHE 36 Ca 0.01 -1.39 -0.22 0.00 -0.60 0.00 0.00 56.93 54.73 2cry s PHE 36 Cb -0.15 -4.57 0.06 0.00 0.51 0.00 0.00 43.02 38.88 2cry s PHE 36 CO 0.01 -1.72 0.89 0.42 0.70 0.00 0.00 175.22 175.51 2cry s ILE 37 N 3.73 4.46 -0.89 0.64 1.01 -0.71 -2.62 121.20 126.82 2cry s ILE 37 Ca 0.45 -0.18 -0.08 0.00 0.00 0.00 0.00 60.65 60.84 2cry s ILE 37 Cb -0.00 -4.56 -0.15 0.00 0.01 0.00 0.00 42.46 37.76 2cry s ILE 37 CO -0.03 -1.21 3.21 0.54 0.00 0.00 0.00 174.94 177.45 2cry n ARG 38 N 7.30 2.99 -3.31 2.79 1.74 0.45 -0.96 116.66 127.66 2cry n ARG 38 Ca -0.03 -1.76 -0.38 0.00 -0.77 0.00 0.00 57.85 54.91 2cry n ARG 38 Cb 0.46 -2.43 -0.06 0.00 -1.02 0.00 0.00 32.46 29.40 2cry n ARG 38 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2cry s SER 39 N 1.95 6.62 -0.27 0.55 0.01 -1.26 -3.93 113.70 117.36 2cry s SER 39 Ca 0.68 0.73 -0.00 0.00 1.31 0.00 0.00 55.95 58.67 2cry s SER 39 Cb 0.25 -2.28 0.15 0.00 0.21 0.00 0.00 66.02 64.35 2cry s SER 39 CO -0.04 -0.06 0.40 -0.89 0.41 0.00 0.00 173.24 173.06 2cry s THR 40 N 1.01 -0.64 0.98 1.44 2.01 -1.26 -3.38 115.64 115.80 2cry s THR 40 Ca 0.24 -0.18 -0.12 0.00 0.31 0.00 0.00 61.69 61.94 2cry s THR 40 Cb -0.15 -0.91 0.18 0.00 0.01 0.00 0.00 72.50 71.63 2cry s THR 40 CO 0.10 -0.20 1.09 -2.16 -0.69 0.00 0.00 174.62 172.76 2cry s PRO 41 N 2.56 0.54 0.83 4.92 0.04 -1.26 -2.96 135.00 139.67 2cry s PRO 41 Ca 0.12 0.57 -0.11 0.00 0.04 0.00 0.00 61.00 61.62 2cry s PRO 41 Cb -0.14 -1.75 0.09 0.00 0.04 0.00 0.00 34.50 32.75 2cry s PRO 41 CO -0.23 -2.67 1.09 -1.25 0.04 0.00 0.00 177.00 173.98 2cry s PRO 42 N -4.96 1.79 0.68 0.56 0.04 -1.22 -4.80 135.00 127.09 2cry s PRO 42 Ca 0.65 1.01 -0.14 0.00 0.04 0.00 0.00 61.00 62.56 2cry s PRO 42 Cb -0.19 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.51 2cry s PRO 42 CO 0.58 -1.92 1.11 -1.25 0.04 0.00 0.00 177.00 175.55 2cry s PRO 43 N -4.92 2.70 0.20 0.56 0.04 -1.26 -4.90 135.00 127.41 2cry s PRO 43 Ca 0.62 1.35 0.21 0.00 0.04 0.00 0.00 61.00 63.22 2cry s PRO 43 Cb -0.18 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.43 2cry s PRO 43 CO 0.56 -1.32 1.07 -0.44 0.04 0.00 0.00 177.00 176.91 2cry h ASP 44 N -0.19 0.00 -4.71 6.66 3.32 -0.40 -3.47 116.42 117.62 2cry h ASP 44 Ca -0.46 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.46 2cry h ASP 44 Cb 1.24 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.58 2cry h ASP 44 CO 0.54 0.14 -0.30 -0.60 -1.72 0.00 0.00 179.24 177.29 2cry s ARG 45 N -3.24 0.59 -0.00 3.56 3.52 -1.02 -5.02 118.95 117.33 2cry s ARG 45 Ca -0.00 -0.05 -0.02 0.00 -0.13 0.00 0.00 55.73 55.53 2cry s ARG 45 Cb 0.09 0.26 -0.01 0.00 -1.56 0.00 0.00 34.95 33.74 2cry s ARG 45 CO 0.78 -0.15 0.04 0.42 -0.81 0.00 0.00 175.30 175.58 2cry s ILE 46 N -0.97 0.06 -0.04 4.11 1.01 -1.26 -0.85 121.20 123.26 2cry s ILE 46 Ca -0.10 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2cry s ILE 46 Cb -0.05 -0.21 0.03 0.00 0.01 0.00 0.00 42.46 42.24 2cry s ILE 46 CO 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 174.94 174.70 2cry s ALA 47 N -0.79 0.44 -0.62 9.38 0.00 -0.51 -4.38 121.76 125.27 2cry s ALA 47 Ca -0.09 0.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.83 2cry s ALA 47 Cb -0.05 -0.38 0.16 0.00 0.00 0.00 0.00 23.12 22.85 2cry s ALA 47 CO -0.00 -0.09 0.54 -1.58 0.00 0.00 0.00 175.76 174.64 2cry s TRP 48 N 1.06 3.47 -0.10 0.00 0.52 0.96 -1.79 118.94 123.06 2cry s TRP 48 Ca -0.09 -1.78 0.04 0.00 0.02 0.00 0.00 56.10 54.29 2cry s TRP 48 Cb -0.14 -3.68 -0.00 0.00 -1.15 0.00 0.00 33.47 28.50 2cry s TRP 48 CO -0.01 -0.99 -0.23 -1.54 0.02 0.00 0.00 176.95 174.20 2cry s SER 49 N 2.67 3.22 0.00 2.95 1.04 -0.68 -0.89 113.70 122.00 2cry s SER 49 Ca 0.10 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.00 2cry s SER 49 Cb -0.22 -1.38 0.00 0.00 0.10 0.00 0.00 66.02 64.52 2cry s SER 49 CO -0.02 0.17 0.00 -2.67 0.98 0.00 0.00 173.24 171.70 2cry n TRP 50 N 3.45 0.00 -0.01 5.02 2.14 -1.20 -1.84 117.44 125.00 2cry n TRP 50 Ca -0.19 0.00 -0.02 0.00 2.07 0.00 0.00 57.50 59.37 2cry n TRP 50 Cb 0.53 -0.05 -0.01 0.00 -0.81 0.00 0.00 31.31 30.98 2cry n TRP 50 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 2cry n LYS 51 N -2.07 0.10 0.00 -2.67 5.02 -1.23 -4.61 118.16 112.70 2cry n LYS 51 Ca 0.00 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2cry n LYS 51 Cb 0.00 -0.61 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 2cry n LYS 51 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2cry n GLU 52 N -2.91 2.40 -1.97 1.97 1.02 -1.26 -5.07 120.64 114.81 2cry n GLU 52 Ca -0.03 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.79 2cry n GLU 52 Cb 0.10 -0.80 0.02 0.00 -0.02 0.00 0.00 31.44 30.74 2cry n GLU 52 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2cry s ASN 53 N -1.89 5.68 -0.09 1.62 0.01 -1.26 -5.07 114.94 113.94 2cry s ASN 53 Ca 0.00 1.81 -0.04 0.00 -0.71 0.00 0.00 52.86 53.93 2cry s ASN 53 Cb 0.00 -2.53 0.05 0.00 0.41 0.00 0.00 41.25 39.18 2cry s ASN 53 CO 0.00 -1.24 0.18 -0.69 -1.51 0.00 0.00 177.10 173.85 2cry s VAL 54 N -2.50 -0.24 -0.25 1.60 1.01 -1.26 -3.24 120.40 115.52 2cry s VAL 54 Ca 0.63 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.93 2cry s VAL 54 Cb -0.16 -0.32 0.05 0.00 0.00 0.00 0.00 36.38 35.95 2cry s VAL 54 CO 0.39 0.12 -0.12 -0.22 0.00 0.00 0.00 175.10 175.27 2cry s LEU 55 N 2.04 3.26 -0.11 3.92 2.96 -0.07 -4.89 118.68 125.78 2cry s LEU 55 Ca -0.00 -1.27 -0.15 0.00 -0.22 0.00 0.00 54.13 52.48 2cry s LEU 55 Cb -0.12 -1.55 -0.27 0.00 0.50 0.00 0.00 46.19 44.76 2cry s LEU 55 CO -0.07 -0.16 0.51 -0.33 -1.32 0.00 0.00 176.35 174.98 2cry h GLU 56 N 7.81 0.23 -1.58 1.98 5.08 -1.87 0.27 114.58 126.51 2cry h GLU 56 Ca -0.23 -0.39 0.08 0.00 -1.00 0.00 0.00 59.36 57.81 2cry h GLU 56 Cb 1.06 0.15 -0.27 0.00 0.50 0.00 0.00 28.75 30.19 2cry h GLU 56 CO 0.49 1.19 0.43 -1.54 -1.00 0.00 0.00 179.01 178.58 2cry s SER 57 N -7.02 -0.48 0.00 1.42 1.04 -1.26 -4.74 113.70 102.66 2cry s SER 57 Ca -0.21 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.07 2cry s SER 57 Cb 0.05 0.99 0.00 0.00 0.10 0.00 0.00 66.02 67.16 2cry s SER 57 CO 0.75 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.44 2cry n GLY 58 N 2.78 0.12 3.11 7.32 0.00 -1.26 -4.97 105.19 112.28 2cry n GLY 58 Ca -0.15 -2.29 -0.34 0.00 0.00 0.00 0.00 46.02 43.25 2cry n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cry s THR 59 N 0.00 2.82 -0.59 2.61 2.01 -1.26 -2.43 115.64 118.80 2cry s THR 59 Ca 0.00 -1.86 -0.14 0.00 0.31 0.00 0.00 61.69 60.00 2cry s THR 59 Cb 0.00 -2.83 0.15 0.00 0.01 0.00 0.00 72.50 69.82 2cry s THR 59 CO 0.00 -0.40 0.53 -0.94 -0.69 0.00 0.00 174.62 173.12 2cry s SER 60 N 1.34 6.21 0.83 3.53 1.04 0.60 -4.91 113.70 122.34 2cry s SER 60 Ca 0.03 -2.01 0.00 0.00 0.48 0.00 0.00 55.95 54.45 2cry s SER 60 Cb -0.21 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.74 2cry s SER 60 CO -0.04 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.02 2cry n GLY 61 N 4.91 0.34 2.30 7.32 0.00 -1.26 -1.91 105.19 116.88 2cry n GLY 61 Ca -0.07 0.63 -0.28 0.00 0.00 0.00 0.00 46.02 46.30 2cry n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cry n ARG 62 N 0.00 3.32 -3.73 1.61 5.12 -1.26 -4.88 116.66 116.83 2cry n ARG 62 Ca 0.00 -4.05 -0.13 0.00 -1.93 0.00 0.00 57.85 51.74 2cry n ARG 62 Cb 0.00 -2.27 -0.10 0.00 -1.16 0.00 0.00 32.46 28.92 2cry n ARG 62 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2cry s TYR 63 N -3.67 -0.45 -0.13 -1.55 2.02 -0.80 -3.22 117.35 109.53 2cry s TYR 63 Ca 0.53 1.08 -0.04 0.00 -0.37 0.00 0.00 57.07 58.26 2cry s TYR 63 Cb 0.43 0.16 0.05 0.00 -0.40 0.00 0.00 41.96 42.20 2cry s TYR 63 CO -0.08 -0.23 0.09 0.99 -1.57 0.00 0.00 175.55 174.75 2cry s THR 64 N 0.40 -0.11 0.02 -0.71 2.01 0.15 -0.29 115.64 117.12 2cry s THR 64 Ca -0.02 0.02 -0.18 0.00 0.31 0.00 0.00 61.69 61.82 2cry s THR 64 Cb -0.04 -0.45 -0.06 0.00 0.01 0.00 0.00 72.50 71.96 2cry s THR 64 CO -0.02 -0.14 0.53 -0.69 -0.69 0.00 0.00 174.62 173.61 2cry s VAL 65 N 2.16 4.88 -0.22 3.82 1.01 -1.02 0.11 120.40 131.14 2cry s VAL 65 Ca 0.03 1.10 -0.03 0.00 0.00 0.00 0.00 61.98 63.08 2cry s VAL 65 Cb -0.15 -3.85 0.11 0.00 0.00 0.00 0.00 36.38 32.50 2cry s VAL 65 CO -0.07 0.51 0.32 -1.61 0.00 0.00 0.00 175.10 174.25 2cry s GLU 66 N -0.77 0.28 0.27 2.72 2.02 0.16 -4.11 118.70 119.27 2cry s GLU 66 Ca 0.28 0.44 -0.08 0.00 0.02 0.00 0.00 54.97 55.64 2cry s GLU 66 Cb -0.18 -0.69 -0.06 0.00 0.10 0.00 0.00 34.13 33.30 2cry s GLU 66 CO 0.16 -0.61 0.57 0.99 0.02 0.00 0.00 175.26 176.39 2cry s THR 67 N 2.46 4.96 0.06 3.63 2.01 -1.26 0.02 115.64 127.52 2cry s THR 67 Ca 0.10 0.31 -0.03 0.00 0.31 0.00 0.00 61.69 62.37 2cry s THR 67 Cb -0.15 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 2cry s THR 67 CO -0.14 -0.21 0.03 -0.63 -0.69 0.00 0.00 174.62 172.98 2cry s ILE 68 N -1.97 0.19 -0.21 1.82 1.01 0.23 -4.94 121.20 117.32 2cry s ILE 68 Ca 0.46 -1.55 -0.05 0.00 0.00 0.00 0.00 60.65 59.51 2cry s ILE 68 Cb -0.11 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 2cry s ILE 68 CO 0.26 -0.86 -0.01 -0.44 0.00 0.00 0.00 174.94 173.89 2cry s SER 69 N -2.77 4.69 0.40 3.58 0.01 -1.26 -0.48 113.70 117.87 2cry s SER 69 Ca 0.04 -0.26 0.07 0.00 1.31 0.00 0.00 55.95 57.11 2cry s SER 69 Cb 0.06 -1.81 -0.06 0.00 0.21 0.00 0.00 66.02 64.42 2cry s SER 69 CO -0.09 0.03 0.11 0.42 0.41 0.00 0.00 173.24 174.11 2cry s THR 70 N 1.22 2.26 0.32 1.44 -4.23 0.07 -4.94 115.64 111.78 2cry s THR 70 Ca 0.03 -1.82 0.03 0.00 -1.18 0.00 0.00 61.69 58.75 2cry s THR 70 Cb -0.15 -2.97 0.15 0.00 1.34 0.00 0.00 72.50 70.87 2cry s THR 70 CO 0.01 -0.03 1.86 1.05 -0.54 0.00 0.00 174.62 176.97 2cry h GLU 71 N 1.58 0.57 0.00 3.99 4.11 -1.99 -1.80 114.58 121.04 2cry h GLU 71 Ca -0.43 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 58.87 2cry h GLU 71 Cb 1.25 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2cry h GLU 71 CO 0.73 0.59 0.00 1.05 0.07 0.00 0.00 179.01 181.45 2cry h GLU 72 N 0.55 0.00 0.00 1.06 4.11 -1.96 -3.49 114.58 114.85 2cry h GLU 72 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.55 2cry h GLU 72 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2cry h GLU 72 CO 0.01 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.50 2cry n GLY 73 N 1.25 -0.73 3.48 1.06 0.00 -0.68 -4.48 105.19 105.10 2cry n GLY 73 Ca 0.05 0.25 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 2cry n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cry s VAL 74 N 0.00 0.00 -0.17 1.61 -7.23 -0.13 -0.75 120.40 113.72 2cry s VAL 74 Ca 0.00 -1.59 -0.10 0.00 -1.81 0.00 0.00 61.98 58.49 2cry s VAL 74 Cb 0.00 -2.42 0.06 0.00 0.56 0.00 0.00 36.38 34.58 2cry s VAL 74 CO 0.00 0.00 0.42 -0.63 -0.31 0.00 0.00 175.10 174.58 2cry s ILE 75 N -3.68 -0.02 -0.41 -0.62 1.01 0.37 -1.74 121.20 116.10 2cry s ILE 75 Ca 0.28 0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.95 2cry s ILE 75 Cb 0.01 -0.62 0.09 0.00 0.01 0.00 0.00 42.46 41.95 2cry s ILE 75 CO 0.14 0.03 0.23 -0.55 0.00 0.00 0.00 174.94 174.79 2cry s SER 76 N 1.32 5.49 -0.07 3.58 0.15 -1.18 0.77 113.70 123.76 2cry s SER 76 Ca -0.09 -1.62 -0.17 0.00 0.70 0.00 0.00 55.95 54.77 2cry s SER 76 Cb -0.08 -1.93 -0.05 0.00 -1.71 0.00 0.00 66.02 62.25 2cry s SER 76 CO -0.12 -0.52 0.45 -0.89 1.20 0.00 0.00 173.24 173.35 2cry s THR 77 N 1.34 5.12 -0.28 6.45 2.01 0.10 -3.17 115.64 127.22 2cry s THR 77 Ca 0.03 0.91 0.03 0.00 0.31 0.00 0.00 61.69 62.97 2cry s THR 77 Cb -0.23 -3.78 0.07 0.00 0.01 0.00 0.00 72.50 68.57 2cry s THR 77 CO 0.00 0.42 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.08 2cry s LEU 78 N -0.00 3.51 0.15 4.42 2.96 -0.85 0.36 118.68 129.23 2cry s LEU 78 Ca 0.25 -1.54 -0.18 0.00 -0.22 0.00 0.00 54.13 52.44 2cry s LEU 78 Cb -0.16 -1.46 -0.07 0.00 0.50 0.00 0.00 46.19 45.00 2cry s LEU 78 CO 0.11 -0.25 0.63 -0.89 -1.32 0.00 0.00 176.35 174.63 2cry s THR 79 N 1.14 4.70 -0.26 3.68 2.01 0.12 -2.20 115.64 124.83 2cry s THR 79 Ca -0.03 1.14 0.01 0.00 0.31 0.00 0.00 61.69 63.13 2cry s THR 79 Cb -0.19 -3.85 0.07 0.00 0.01 0.00 0.00 72.50 68.54 2cry s THR 79 CO -0.07 0.33 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.53 2cry s ILE 80 N -1.37 1.67 0.27 1.82 1.01 -1.21 0.32 121.20 123.71 2cry s ILE 80 Ca 0.37 -1.45 -0.30 0.00 0.00 0.00 0.00 60.65 59.27 2cry s ILE 80 Cb -0.17 -1.98 -0.10 0.00 0.01 0.00 0.00 42.46 40.22 2cry s ILE 80 CO 0.20 -0.21 1.40 -0.55 0.00 0.00 0.00 174.94 175.79 2cry s SER 81 N 1.30 6.69 -1.39 3.58 0.15 -1.20 -2.75 113.70 120.09 2cry s SER 81 Ca -0.03 2.67 -0.14 0.00 0.70 0.00 0.00 55.95 59.15 2cry s SER 81 Cb -0.19 -2.63 0.02 0.00 -1.71 0.00 0.00 66.02 61.51 2cry s SER 81 CO -0.08 -0.66 0.35 0.59 1.20 0.00 0.00 173.24 174.64 2cry n ASN 82 N 1.93 -1.43 -4.51 5.45 3.02 -1.26 -4.79 115.26 113.66 2cry n ASN 82 Ca 0.05 -1.24 -0.42 0.00 -0.03 0.00 0.00 54.58 52.94 2cry n ASN 82 Cb 0.41 -1.90 0.01 0.00 -0.61 0.00 0.00 39.78 37.68 2cry n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2cry n ILE 83 N -4.72 2.05 -4.40 2.41 3.06 -1.19 -4.98 119.36 111.59 2cry n ILE 83 Ca -0.23 -0.50 -0.27 0.00 -2.50 0.00 0.00 62.75 59.25 2cry n ILE 83 Cb 0.64 -0.75 -0.12 0.00 0.54 0.00 0.00 39.64 39.95 2cry n ILE 83 CO 0.00 0.00 0.00 0.68 -2.50 0.00 0.00 176.55 174.73 2cry s VAL 84 N -1.37 2.23 0.42 9.51 -7.23 -1.26 -4.40 120.40 118.31 2cry s VAL 84 Ca 0.63 -1.92 0.29 0.00 -1.81 0.00 0.00 61.98 59.17 2cry s VAL 84 Cb -0.60 -2.03 0.46 0.00 0.56 0.00 0.00 36.38 34.76 2cry s VAL 84 CO 0.57 -0.08 1.58 0.03 -0.31 0.00 0.00 175.10 176.90 2cry h ARG 85 N 3.44 0.02 -0.66 4.82 3.08 -2.02 0.82 114.38 123.88 2cry h ARG 85 Ca -0.47 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 59.69 2cry h ARG 85 Cb 1.20 -0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.16 2cry h ARG 85 CO 0.45 0.01 0.25 0.00 -1.07 0.00 0.00 179.97 179.62 2cry h ALA 86 N 1.72 0.88 -1.56 0.04 0.00 -2.00 -0.45 119.26 117.90 2cry h ALA 86 Ca 0.87 0.09 0.48 0.00 0.00 0.00 0.00 54.91 56.35 2cry h ALA 86 Cb 2.63 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 20.39 2cry h ALA 86 CO -0.55 -0.19 1.07 -0.44 0.00 0.00 0.00 179.25 179.14 2cry h ASP 87 N 0.43 0.12 0.01 0.00 5.19 0.32 1.13 116.42 123.61 2cry h ASP 87 Ca 0.34 0.07 -0.23 0.00 -0.62 0.00 0.00 57.03 56.59 2cry h ASP 87 Cb 0.46 0.06 0.02 0.00 0.18 0.00 0.00 39.33 40.05 2cry h ASP 87 CO -0.34 -0.09 -0.91 -0.26 -3.12 0.00 0.00 179.24 174.52 2cry h PHE 88 N 0.04 0.90 -0.10 4.55 0.04 -1.20 -3.25 116.94 117.92 2cry h PHE 88 Ca 0.83 -0.49 -0.10 0.00 2.80 0.00 0.00 57.97 61.00 2cry h PHE 88 Cb 3.00 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 41.03 2cry h PHE 88 CO -0.00 1.33 -0.41 1.96 -0.60 0.00 0.00 178.31 180.59 2cry h GLN 89 N 0.22 0.22 -6.89 1.51 1.08 0.12 -3.41 115.11 107.96 2cry h GLN 89 Ca -0.11 -0.11 -0.50 0.00 -1.45 0.00 0.00 58.65 56.48 2cry h GLN 89 Cb 1.58 -0.00 0.03 0.00 -0.05 0.00 0.00 27.48 29.04 2cry h GLN 89 CO 0.18 0.60 0.49 0.99 -0.95 0.00 0.00 178.83 180.13 2cry s THR 90 N -4.15 3.35 -0.23 -0.54 2.01 0.57 -5.01 115.64 111.64 2cry s THR 90 Ca -0.04 1.21 -0.16 0.00 0.31 0.00 0.00 61.69 63.01 2cry s THR 90 Cb 0.13 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 2cry s THR 90 CO 0.77 0.18 0.41 -0.63 -0.69 0.00 0.00 174.62 174.66 2cry s ILE 91 N -1.35 5.17 0.12 1.82 1.09 -1.26 -4.67 121.20 122.11 2cry s ILE 91 Ca 0.52 0.71 -0.07 0.00 -1.10 0.00 0.00 60.65 60.71 2cry s ILE 91 Cb -0.30 -3.74 -0.06 0.00 -1.06 0.00 0.00 42.46 37.30 2cry s ILE 91 CO 0.38 0.20 0.39 -0.31 -0.10 0.00 0.00 174.94 175.50 2cry s TYR 92 N 1.69 3.51 -0.16 3.97 2.02 -0.76 -3.52 117.35 124.09 2cry s TYR 92 Ca 0.18 0.66 -0.09 0.00 -0.37 0.00 0.00 57.07 57.46 2cry s TYR 92 Cb -0.15 -2.08 0.06 0.00 -0.40 0.00 0.00 41.96 39.39 2cry s TYR 92 CO 0.09 0.46 0.39 -0.80 -1.57 0.00 0.00 175.55 174.12 2cry s ASN 93 N -2.15 -0.45 -0.19 2.29 0.01 -0.77 -1.12 114.94 112.56 2cry s ASN 93 Ca 0.38 0.85 -0.04 0.00 -0.71 0.00 0.00 52.86 53.34 2cry s ASN 93 Cb -0.13 0.77 -0.02 0.00 0.41 0.00 0.00 41.25 42.28 2cry s ASN 93 CO 0.22 -0.19 -0.02 0.00 -1.51 0.00 0.00 177.10 175.59 2cry s THR 95 N 0.84 2.39 0.31 0.00 2.01 -0.74 -2.78 115.64 117.67 2cry s THR 95 Ca -0.00 -0.97 0.11 0.00 0.31 0.00 0.00 61.69 61.14 2cry s THR 95 Cb -0.14 -1.88 -0.06 0.00 0.01 0.00 0.00 72.50 70.43 2cry s THR 95 CO 0.02 0.58 -0.15 0.00 -0.69 0.00 0.00 174.62 174.37 2cry s ALA 96 N -0.47 2.85 -0.10 7.40 0.00 -0.81 -1.42 121.76 129.20 2cry s ALA 96 Ca 0.06 -1.96 -0.04 0.00 0.00 0.00 0.00 51.96 50.02 2cry s ALA 96 Cb -0.11 -0.19 0.05 0.00 0.00 0.00 0.00 23.12 22.87 2cry s ALA 96 CO 0.01 0.20 0.17 -1.58 0.00 0.00 0.00 175.76 174.56 2cry s TRP 97 N -2.55 -0.20 0.09 0.00 0.51 -0.03 -3.37 118.94 113.39 2cry s TRP 97 Ca 0.31 0.59 0.04 0.00 -2.12 0.00 0.00 56.10 54.92 2cry s TRP 97 Cb -0.02 -0.26 -0.03 0.00 -0.81 0.00 0.00 33.47 32.35 2cry s TRP 97 CO 0.16 -0.31 -0.10 1.21 -0.51 0.00 0.00 176.95 177.39 2cry s ASN 98 N 2.30 1.40 0.62 2.95 2.47 0.35 0.43 114.94 125.46 2cry s ASN 98 Ca 0.03 -0.75 0.24 0.00 0.42 0.00 0.00 52.86 52.80 2cry s ASN 98 Cb -0.12 0.00 1.05 0.00 -1.45 0.00 0.00 41.25 40.73 2cry s ASN 98 CO -0.07 -0.23 1.51 0.28 -3.72 0.00 0.00 177.10 174.87 2cry h SER 99 N 3.78 0.00 0.00 -4.21 0.02 -1.95 0.23 113.55 111.43 2cry h SER 99 Ca -0.38 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2cry h SER 99 Cb 1.19 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 2cry h SER 99 CO 0.50 0.00 -0.02 -0.26 -1.14 0.00 0.00 176.83 175.90 2cry h PHE 100 N 0.00 0.00 0.00 3.45 0.04 -1.95 -3.51 116.94 114.97 2cry h PHE 100 Ca 0.29 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.06 2cry h PHE 100 Cb 2.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.19 2cry h PHE 100 CO 0.00 0.79 0.00 0.41 -0.60 0.00 0.00 178.31 178.91 2cry n GLY 101 N 1.64 0.96 3.70 -1.45 0.00 0.80 -4.82 105.19 106.02 2cry n GLY 101 Ca -0.08 0.27 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 2cry n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cry s SER 102 N 2.00 -0.20 0.25 1.61 1.04 -1.26 -0.50 113.70 116.64 2cry s SER 102 Ca 0.00 -0.31 -0.19 0.00 0.48 0.00 0.00 55.95 55.93 2cry s SER 102 Cb 0.00 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.58 2cry s SER 102 CO 0.00 -0.80 0.64 -1.81 0.98 0.00 0.00 173.24 172.25 2cry s ASP 103 N -2.85 -0.26 0.14 7.02 1.11 -1.22 -4.73 116.67 115.88 2cry s ASP 103 Ca 0.11 -0.59 -0.12 0.00 0.18 0.00 0.00 52.55 52.13 2cry s ASP 103 Cb -0.01 0.67 0.01 0.00 1.07 0.00 0.00 42.92 44.66 2cry s ASP 103 CO -0.00 -1.23 0.32 -0.89 1.18 0.00 0.00 175.17 174.54 2cry s THR 104 N -3.91 0.08 -0.14 -1.27 2.01 -1.26 -1.93 115.64 109.22 2cry s THR 104 Ca 0.12 -1.05 -0.17 0.00 0.31 0.00 0.00 61.69 60.90 2cry s THR 104 Cb -0.04 -1.51 0.04 0.00 0.01 0.00 0.00 72.50 71.01 2cry s THR 104 CO 0.04 -0.37 0.45 -0.70 -0.69 0.00 0.00 174.62 173.34 2cry s GLU 105 N -3.89 0.59 -0.15 4.92 2.56 -1.12 -4.87 118.70 116.74 2cry s GLU 105 Ca 0.09 0.49 -0.13 0.00 0.00 0.00 0.00 54.97 55.42 2cry s GLU 105 Cb 0.03 0.28 -0.05 0.00 2.00 0.00 0.00 34.13 36.39 2cry s GLU 105 CO -0.06 -0.10 0.27 0.42 -0.56 0.00 0.00 175.26 175.23 2cry s ILE 106 N -0.08 5.31 -0.07 -3.70 1.01 -1.26 -2.71 121.20 119.70 2cry s ILE 106 Ca -0.03 0.51 -0.00 0.00 0.00 0.00 0.00 60.65 61.13 2cry s ILE 106 Cb -0.03 -3.60 0.02 0.00 0.01 0.00 0.00 42.46 38.86 2cry s ILE 106 CO 0.02 0.43 -0.04 -0.63 0.00 0.00 0.00 174.94 174.72 2cry s ILE 107 N 0.20 0.61 -0.50 2.92 1.09 -0.27 -5.02 121.20 120.24 2cry s ILE 107 Ca 0.16 -0.08 -0.04 0.00 -1.10 0.00 0.00 60.65 59.59 2cry s ILE 107 Cb -0.13 -0.68 0.13 0.00 -1.06 0.00 0.00 42.46 40.72 2cry s ILE 107 CO 0.04 0.28 0.31 -0.13 -0.10 0.00 0.00 174.94 175.34 2cry s ARG 108 N 1.49 2.27 0.34 2.79 0.52 -1.26 -1.83 118.95 123.27 2cry s ARG 108 Ca -0.01 -2.08 -0.28 0.00 -0.52 0.00 0.00 55.73 52.83 2cry s ARG 108 Cb -0.13 -3.68 -0.12 0.00 0.52 0.00 0.00 34.95 31.54 2cry s ARG 108 CO -0.04 -1.12 1.39 -0.11 0.02 0.00 0.00 175.30 175.44 2cry n LEU 109 N 4.21 3.99 -4.52 2.53 7.94 -1.26 -5.01 117.00 124.89 2cry n LEU 109 Ca 0.01 1.21 -0.25 0.00 -1.11 0.00 0.00 56.01 55.87 2cry n LEU 109 Cb 0.40 -1.53 -0.09 0.00 0.53 0.00 0.00 43.42 42.73 2cry n LEU 109 CO 0.34 -0.22 -0.23 -0.54 -1.11 0.00 0.00 177.39 175.63 2cry s LYS 110 N -1.74 1.86 0.32 1.96 -0.14 -1.26 -4.46 119.74 116.27 2cry s LYS 110 Ca 0.56 -2.11 0.06 0.00 -1.36 0.00 0.00 55.97 53.12 2cry s LYS 110 Cb -0.54 -0.81 0.71 0.00 -1.68 0.00 0.00 37.83 35.51 2cry s LYS 110 CO 0.61 -0.36 1.83 0.93 -0.76 0.00 0.00 175.35 177.60 2cry h GLU 111 N 1.86 0.79 -2.18 1.68 5.08 -1.91 -3.24 114.58 116.65 2cry h GLU 111 Ca -0.38 -0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.07 2cry h GLU 111 Cb 1.27 -0.18 -0.15 0.00 0.50 0.00 0.00 28.75 30.19 2cry h GLU 111 CO 0.63 0.52 0.53 -1.14 -1.00 0.00 0.00 179.01 178.56 2cry s GLN 112 N -5.82 0.79 -0.78 2.33 0.74 -1.26 -3.26 119.66 112.41 2cry s GLN 112 Ca -0.11 -0.32 -0.06 0.00 0.05 0.00 0.00 55.36 54.93 2cry s GLN 112 Cb 0.23 0.35 -0.02 0.00 1.10 0.00 0.00 33.01 34.67 2cry s GLN 112 CO 0.80 -0.35 2.89 0.41 -0.55 0.00 0.00 175.29 178.49 2cry n GLY 113 N -0.26 4.28 0.10 2.59 0.00 -1.20 -4.48 105.19 106.22 2cry n GLY 113 Ca -0.07 -1.72 -0.18 0.00 0.00 0.00 0.00 46.02 44.04 2cry n GLY 113 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2cry h SER 114 N 3.76 0.24 -4.34 1.61 0.87 -1.96 -3.46 113.55 110.25 2cry h SER 114 Ca 0.51 -0.92 -0.56 0.00 -1.23 0.00 0.00 61.79 59.59 2cry h SER 114 Cb 0.71 -0.08 -0.29 0.00 -0.44 0.00 0.00 62.40 62.30 2cry h SER 114 CO 1.04 1.28 -0.84 -0.70 -0.53 0.00 0.00 176.83 177.08 2cry s GLU 115 N -2.35 1.46 -0.56 2.24 2.12 -1.26 -5.07 118.70 115.28 2cry s GLU 115 Ca -0.18 -0.65 -0.26 0.00 0.36 0.00 0.00 54.97 54.24 2cry s GLU 115 Cb 0.00 -1.42 -0.06 0.00 0.26 0.00 0.00 34.13 32.91 2cry s GLU 115 CO 0.75 0.39 2.26 1.41 -0.54 0.00 0.00 175.26 179.52 2cry s MET 116 N -0.44 2.20 0.14 4.30 -2.45 -1.26 -4.93 119.30 116.86 2cry s MET 116 Ca 0.07 1.08 -0.29 0.00 -1.25 0.00 0.00 55.69 55.30 2cry s MET 116 Cb -0.07 -4.57 -0.07 0.00 1.25 0.00 0.00 34.83 31.38 2cry s MET 116 CO -0.01 -3.25 0.93 0.45 1.05 0.00 0.00 175.02 174.20 2cry s SER 117 N 10.95 7.51 0.00 1.11 0.15 -1.26 -4.97 113.70 127.19 2cry s SER 117 Ca 0.89 1.80 0.00 0.00 0.70 0.00 0.00 55.95 59.34 2cry s SER 117 Cb -0.15 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 2cry s SER 117 CO 0.22 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.29 2cry n GLY 118 N 2.01 0.05 3.57 9.45 0.00 -1.26 -5.03 105.19 113.98 2cry n GLY 118 Ca 0.00 -1.56 -0.27 0.00 0.00 0.00 0.00 46.02 44.19 2cry n GLY 118 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cry s PRO 119 N -1.63 2.51 -0.96 1.61 0.04 -1.26 -4.90 135.00 130.42 2cry s PRO 119 Ca 0.00 -0.77 -0.24 0.00 0.04 0.00 0.00 61.00 60.04 2cry s PRO 119 Cb 0.00 -5.16 0.03 0.00 0.04 0.00 0.00 34.50 29.41 2cry s PRO 119 CO 0.00 -3.72 1.55 0.45 0.04 0.00 0.00 177.00 175.32 2cry s SER 120 N 7.21 6.14 -1.60 6.66 0.15 -1.26 -3.87 113.70 127.12 2cry s SER 120 Ca 0.69 -1.14 0.00 0.00 0.70 0.00 0.00 55.95 56.20 2cry s SER 120 Cb -0.03 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2cry s SER 120 CO 0.07 -1.83 0.00 -1.20 1.20 0.00 0.00 173.24 171.48 2cry n SER 121 N 10.14 -4.68 -0.01 5.45 7.64 -1.26 -5.29 113.62 125.61 2cry n SER 121 Ca 0.32 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.45 2cry n SER 121 Cb 0.50 -4.07 0.00 0.00 -1.01 0.00 0.00 64.21 59.63 2cry n SER 121 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64