#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cry h SER 2 N 0.00 0.00 -5.89 1.61 0.87 -2.10 -3.48 113.55 104.56 2cry h SER 2 Ca 0.00 -0.21 -0.40 0.00 -1.23 0.00 0.00 61.79 59.95 2cry h SER 2 Cb 0.00 0.00 0.11 0.00 -0.44 0.00 0.00 62.40 62.07 2cry h SER 2 CO 0.00 0.92 -0.73 -1.20 -0.53 0.00 0.00 176.83 175.29 2cry n SER 3 N -4.60 -4.59 -3.72 6.23 7.64 -1.26 -5.00 113.62 108.33 2cry n SER 3 Ca -0.13 -0.62 -0.13 0.00 1.01 0.00 0.00 58.87 59.01 2cry n SER 3 Cb 0.35 -4.80 -0.10 0.00 -1.01 0.00 0.00 64.21 58.65 2cry n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cry s GLY 4 N -3.67 -0.33 -0.48 0.23 0.00 -1.26 -5.10 107.32 96.70 2cry s GLY 4 Ca 0.40 1.31 -0.27 0.00 0.00 0.00 0.00 44.72 46.16 2cry s GLY 4 CO 0.75 1.21 2.07 -1.35 0.00 0.00 0.00 173.10 175.78 2cry s SER 5 N 0.50 5.11 0.30 1.64 1.04 -1.26 -4.96 113.70 116.07 2cry s SER 5 Ca -0.02 0.92 0.05 0.00 0.48 0.00 0.00 55.95 57.37 2cry s SER 5 Cb -0.04 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.54 2cry s SER 5 CO -0.03 -2.39 0.44 -0.44 0.98 0.00 0.00 173.24 171.80 2cry s SER 6 N 9.17 6.18 0.26 7.02 0.01 -1.26 -5.00 113.70 130.08 2cry s SER 6 Ca 0.83 0.05 0.00 0.00 1.31 0.00 0.00 55.95 58.15 2cry s SER 6 Cb -0.18 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 64.38 2cry s SER 6 CO 0.26 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.27 2cry n GLY 7 N -1.57 -1.43 2.83 3.44 0.00 -1.26 -4.92 105.19 102.27 2cry n GLY 7 Ca -0.05 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 2cry n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cry s THR 8 N -2.29 -0.01 -0.13 2.61 2.01 -1.26 -5.15 115.64 111.43 2cry s THR 8 Ca 0.00 0.09 -0.04 0.00 0.31 0.00 0.00 61.69 62.04 2cry s THR 8 Cb 0.00 -0.06 -0.03 0.00 0.01 0.00 0.00 72.50 72.42 2cry s THR 8 CO 0.00 0.04 0.02 -1.48 -0.69 0.00 0.00 174.62 172.52 2cry s LEU 9 N 0.47 3.65 0.50 4.42 2.34 -1.26 -5.10 118.68 123.70 2cry s LEU 9 Ca -0.04 0.10 -0.20 0.00 0.06 0.00 0.00 54.13 54.05 2cry s LEU 9 Cb -0.06 -1.87 -0.08 0.00 -0.56 0.00 0.00 46.19 43.62 2cry s LEU 9 CO -0.01 0.28 1.04 0.28 -1.06 0.00 0.00 176.35 176.87 2cry s THR 10 N -0.29 3.83 -0.02 5.48 -1.32 -1.26 -5.07 115.64 116.99 2cry s THR 10 Ca 0.07 1.10 0.01 0.00 -1.21 0.00 0.00 61.69 61.65 2cry s THR 10 Cb -0.12 -3.45 0.01 0.00 -1.51 0.00 0.00 72.50 67.43 2cry s THR 10 CO 0.02 -0.29 -0.02 0.68 -2.21 0.00 0.00 174.62 172.80 2cry s VAL 11 N -2.06 0.27 0.55 5.08 -7.23 -1.26 -5.16 120.40 110.59 2cry s VAL 11 Ca 0.66 -0.04 -0.00 0.00 -1.81 0.00 0.00 61.98 60.79 2cry s VAL 11 Cb -0.16 -0.30 0.03 0.00 0.56 0.00 0.00 36.38 36.51 2cry s VAL 11 CO 0.22 0.13 0.79 0.54 -0.31 0.00 0.00 175.10 176.47 2cry s ASN 12 N 0.56 5.32 0.00 4.85 2.20 -1.26 -4.69 114.94 121.93 2cry s ASN 12 Ca -0.06 0.11 0.00 0.00 -0.94 0.00 0.00 52.86 51.97 2cry s ASN 12 Cb -0.09 -1.03 0.00 0.00 -2.00 0.00 0.00 41.25 38.13 2cry s ASN 12 CO -0.01 -1.12 0.00 0.61 -2.94 0.00 0.00 177.10 173.64 2cry n GLY 13 N -2.37 0.86 3.67 0.45 0.00 -1.17 -4.98 105.19 101.65 2cry n GLY 13 Ca 0.07 -1.88 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.90 0.35 0.42 1.61 0.04 -1.26 -4.33 135.00 129.92 2cry s PRO 14 Ca 0.00 0.50 -0.25 0.00 0.04 0.00 0.00 61.00 61.29 2cry s PRO 14 Cb 0.00 -1.73 -0.08 0.00 0.04 0.00 0.00 34.50 32.73 2cry s PRO 14 CO 0.00 -2.78 1.18 -1.25 0.04 0.00 0.00 177.00 174.19 2cry s PRO 15 N -4.96 3.97 -0.36 0.56 0.04 -1.26 -4.56 135.00 128.43 2cry s PRO 15 Ca 0.65 1.86 0.03 0.00 0.04 0.00 0.00 61.00 63.59 2cry s PRO 15 Cb -0.19 -2.62 0.10 0.00 0.04 0.00 0.00 34.50 31.84 2cry s PRO 15 CO 0.58 -0.40 0.08 0.42 0.04 0.00 0.00 177.00 177.72 2cry s ILE 16 N -1.43 2.11 -0.93 0.56 1.01 -1.26 -4.58 121.20 116.68 2cry s ILE 16 Ca 0.59 -2.33 -0.23 0.00 0.00 0.00 0.00 60.65 58.68 2cry s ILE 16 Cb -0.31 -2.56 0.06 0.00 0.01 0.00 0.00 42.46 39.66 2cry s ILE 16 CO 0.39 -0.64 1.34 -0.63 0.00 0.00 0.00 174.94 175.40 2cry s ILE 17 N 0.86 4.02 0.02 2.92 1.01 -1.26 -1.63 121.20 127.14 2cry s ILE 17 Ca 0.12 -0.61 -0.07 0.00 0.00 0.00 0.00 60.65 60.09 2cry s ILE 17 Cb -0.20 -4.97 -0.04 0.00 0.01 0.00 0.00 42.46 37.27 2cry s ILE 17 CO -0.09 -1.83 1.11 -1.28 0.00 0.00 0.00 174.94 172.85 2cry h SER 18 N 9.70 -0.27 -1.26 3.58 0.87 -1.85 -3.47 113.55 120.85 2cry h SER 18 Ca 0.06 0.02 0.16 0.00 -1.23 0.00 0.00 61.79 60.80 2cry h SER 18 Cb 1.02 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 63.04 2cry h SER 18 CO 1.34 -0.14 0.42 -0.24 -0.53 0.00 0.00 176.83 177.68 2cry n SER 19 N -2.87 -0.67 0.00 6.23 2.88 -1.26 -5.02 113.62 112.91 2cry n SER 19 Ca -0.03 -1.20 0.00 0.00 -1.33 0.00 0.00 58.87 56.31 2cry n SER 19 Cb 0.09 1.05 0.00 0.00 -0.75 0.00 0.00 64.21 64.61 2cry n SER 19 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2cry n THR 20 N -0.45 0.00 -3.13 2.46 -2.24 -1.26 -0.27 114.28 109.39 2cry n THR 20 Ca 0.02 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.58 2cry n THR 20 Cb 0.29 -0.77 -0.04 0.00 -2.10 0.00 0.00 70.33 67.72 2cry n THR 20 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cry n GLN 21 N -2.15 -1.31 -0.15 -0.78 10.64 -1.26 -4.51 117.38 117.86 2cry n GLN 21 Ca 0.00 0.07 -0.12 0.00 -1.83 0.00 0.00 57.00 55.12 2cry n GLN 21 Cb 0.48 -3.33 0.11 0.00 -0.86 0.00 0.00 30.24 26.64 2cry n GLN 21 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 2cry n THR 22 N -2.65 0.00 -1.82 -0.39 5.66 -1.26 -5.02 114.28 108.80 2cry n THR 22 Ca 0.06 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.92 2cry n THR 22 Cb 0.33 -0.38 0.09 0.00 -1.55 0.00 0.00 70.33 68.82 2cry n THR 22 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2cry n GLN 23 N -2.86 -0.36 -3.85 1.09 -0.00 -1.26 -5.05 117.38 105.08 2cry n GLN 23 Ca 0.05 -1.21 -0.34 0.00 -0.00 0.00 0.00 57.00 55.51 2cry n GLN 23 Cb 0.23 -0.59 -0.12 0.00 -0.00 0.00 0.00 30.24 29.76 2cry n GLN 23 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 2cry s HIS 24 N -2.17 3.50 0.73 2.61 3.76 -1.26 -4.67 115.29 117.79 2cry s HIS 24 Ca 0.38 -2.78 -0.15 0.00 -0.15 0.00 0.00 55.06 52.36 2cry s HIS 24 Cb -0.01 -3.07 0.04 0.00 1.11 0.00 0.00 32.58 30.64 2cry s HIS 24 CO 0.26 -0.89 1.20 0.00 -0.85 0.00 0.00 174.74 174.46 2cry s ALA 25 N 0.47 2.12 0.00 -1.40 0.00 -0.98 -3.86 121.76 118.11 2cry s ALA 25 Ca 0.13 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.94 2cry s ALA 25 Cb -0.22 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2cry s ALA 25 CO -0.04 -1.87 0.00 1.28 0.00 0.00 0.00 175.76 175.13 2cry n LEU 26 N -2.75 0.00 -3.15 0.00 7.99 -1.26 -3.37 117.00 114.46 2cry n LEU 26 Ca 0.13 0.00 0.05 0.00 -0.01 0.00 0.00 56.01 56.18 2cry n LEU 26 Cb 0.50 -0.15 -0.01 0.00 -0.11 0.00 0.00 43.42 43.65 2cry n LEU 26 CO 0.48 -0.42 0.51 -2.28 -1.51 0.00 0.00 177.39 174.17 2cry s HIS 27 N -0.84 -0.69 0.00 -1.77 5.04 -1.26 -4.74 115.29 111.03 2cry s HIS 27 Ca 0.00 0.65 0.00 0.00 -1.54 0.00 0.00 55.06 54.17 2cry s HIS 27 Cb 0.00 0.21 0.00 0.00 0.04 0.00 0.00 32.58 32.83 2cry s HIS 27 CO 0.00 -0.38 0.00 0.41 -2.34 0.00 0.00 174.74 172.43 2cry n GLY 28 N 5.40 3.15 3.34 1.59 0.00 -1.20 -5.00 105.19 112.47 2cry n GLY 28 Ca -0.03 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.33 -0.26 1.61 -1.05 -1.26 -3.55 118.70 111.85 2cry s GLU 29 Ca 0.00 0.47 -0.12 0.00 -0.15 0.00 0.00 54.97 55.18 2cry s GLU 29 Cb 0.00 -1.42 -0.05 0.00 -0.44 0.00 0.00 34.13 32.22 2cry s GLU 29 CO 0.00 -4.57 0.21 0.15 0.95 0.00 0.00 175.26 172.01 2cry s LYS 30 N -4.73 4.01 -1.29 -4.83 1.02 -1.26 -3.32 119.74 109.33 2cry s LYS 30 Ca 0.69 -0.24 -0.14 0.00 0.02 0.00 0.00 55.97 56.30 2cry s LYS 30 Cb -0.19 -3.62 0.12 0.00 -0.52 0.00 0.00 37.83 33.62 2cry s LYS 30 CO 0.62 -0.11 1.76 0.41 -0.92 0.00 0.00 175.35 177.11 2cry n GLY 31 N 4.72 3.72 3.59 -3.33 0.00 -1.23 -4.82 105.19 107.84 2cry n GLY 31 Ca -0.13 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 2cry n GLY 31 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cry s GLN 32 N 2.19 3.28 -0.53 1.61 0.74 -1.25 -4.00 119.66 121.70 2cry s GLN 32 Ca 0.45 0.89 -0.18 0.00 0.05 0.00 0.00 55.36 56.57 2cry s GLN 32 Cb 0.05 -4.16 0.09 0.00 1.10 0.00 0.00 33.01 30.09 2cry s GLN 32 CO 0.01 -1.94 0.60 0.42 -0.55 0.00 0.00 175.29 173.83 2cry s ILE 33 N 6.60 4.96 -0.19 -2.34 1.01 -0.48 -4.46 121.20 126.29 2cry s ILE 33 Ca 0.65 -0.89 -0.18 0.00 0.00 0.00 0.00 60.65 60.22 2cry s ILE 33 Cb -0.15 -4.34 -0.03 0.00 0.01 0.00 0.00 42.46 37.94 2cry s ILE 33 CO 0.29 -0.89 0.51 -0.75 0.00 0.00 0.00 174.94 174.10 2cry s LYS 34 N 2.35 4.21 -0.15 2.79 2.20 -1.26 -2.38 119.74 127.50 2cry s LYS 34 Ca 0.10 0.41 -0.07 0.00 -0.36 0.00 0.00 55.97 56.05 2cry s LYS 34 Cb -0.23 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 2cry s LYS 34 CO 0.08 -0.10 0.09 0.00 -0.36 0.00 0.00 175.35 175.07 2cry s PHE 36 N -0.28 3.69 -0.37 0.00 0.40 0.62 -3.31 117.98 118.73 2cry s PHE 36 Ca 0.10 -2.12 -0.21 0.00 -0.60 0.00 0.00 56.93 54.10 2cry s PHE 36 Cb -0.12 -4.09 0.01 0.00 0.51 0.00 0.00 43.02 39.33 2cry s PHE 36 CO 0.01 -1.22 0.65 0.42 0.70 0.00 0.00 175.22 175.79 2cry s ILE 37 N 0.74 4.87 -0.68 0.64 1.01 -0.69 -2.24 121.20 124.85 2cry s ILE 37 Ca 0.33 0.56 -0.02 0.00 0.00 0.00 0.00 60.65 61.52 2cry s ILE 37 Cb -0.07 -4.10 0.34 0.00 0.01 0.00 0.00 42.46 38.64 2cry s ILE 37 CO -0.06 -0.36 2.12 0.54 0.00 0.00 0.00 174.94 177.19 2cry n ARG 38 N 6.11 2.59 -2.50 2.79 3.00 -0.64 -0.71 116.66 127.29 2cry n ARG 38 Ca -0.01 -3.09 -0.42 0.00 -0.01 0.00 0.00 57.85 54.33 2cry n ARG 38 Cb 0.48 -2.20 -0.03 0.00 0.00 0.00 0.00 32.46 30.72 2cry n ARG 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2cry s SER 39 N -1.06 7.19 -0.25 0.55 0.15 -1.14 -4.39 113.70 114.75 2cry s SER 39 Ca 0.56 1.98 -0.02 0.00 0.70 0.00 0.00 55.95 59.17 2cry s SER 39 Cb 0.44 -2.59 0.12 0.00 -1.71 0.00 0.00 66.02 62.29 2cry s SER 39 CO -0.20 -0.35 0.29 -0.89 1.20 0.00 0.00 173.24 173.29 2cry s THR 40 N 0.59 -0.42 1.02 6.45 2.01 -1.26 -3.08 115.64 120.95 2cry s THR 40 Ca 0.54 -0.29 -0.13 0.00 0.31 0.00 0.00 61.69 62.13 2cry s THR 40 Cb -0.28 -0.86 0.20 0.00 0.01 0.00 0.00 72.50 71.57 2cry s THR 40 CO 0.31 -0.32 1.09 -2.16 -0.69 0.00 0.00 174.62 172.85 2cry s PRO 41 N 2.39 0.27 0.89 4.92 0.04 -1.26 -3.02 135.00 139.22 2cry s PRO 41 Ca 0.09 0.47 -0.11 0.00 0.04 0.00 0.00 61.00 61.49 2cry s PRO 41 Cb -0.15 -1.72 0.12 0.00 0.04 0.00 0.00 34.50 32.79 2cry s PRO 41 CO -0.23 -2.83 1.09 -1.25 0.04 0.00 0.00 177.00 173.82 2cry s PRO 42 N -4.97 1.33 0.99 0.56 0.04 -1.18 -4.75 135.00 127.01 2cry s PRO 42 Ca 0.66 0.85 -0.12 0.00 0.04 0.00 0.00 61.00 62.42 2cry s PRO 42 Cb -0.19 -1.81 0.18 0.00 0.04 0.00 0.00 34.50 32.72 2cry s PRO 42 CO 0.58 -2.20 1.09 -1.25 0.04 0.00 0.00 177.00 175.26 2cry s PRO 43 N -4.93 0.53 -0.05 0.56 0.04 -1.26 -4.82 135.00 125.06 2cry s PRO 43 Ca 0.63 0.56 0.18 0.00 0.04 0.00 0.00 61.00 62.41 2cry s PRO 43 Cb -0.18 -1.74 -0.27 0.00 0.04 0.00 0.00 34.50 32.35 2cry s PRO 43 CO 0.57 -2.68 0.34 -0.25 0.04 0.00 0.00 177.00 175.02 2cry n ASP 44 N -4.14 0.81 -3.67 6.66 9.92 0.82 -4.93 116.55 122.02 2cry n ASP 44 Ca 0.05 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.18 2cry n ASP 44 Cb 0.57 1.66 -0.07 0.00 -0.64 0.00 0.00 41.12 42.64 2cry n ASP 44 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2cry s ARG 45 N -3.11 0.90 -0.06 -1.24 3.52 -1.05 -5.02 118.95 112.89 2cry s ARG 45 Ca -0.07 -0.33 -0.13 0.00 -0.13 0.00 0.00 55.73 55.07 2cry s ARG 45 Cb 0.10 0.40 0.03 0.00 -1.56 0.00 0.00 34.95 33.92 2cry s ARG 45 CO 0.75 -0.30 0.31 0.42 -0.81 0.00 0.00 175.30 175.67 2cry s ILE 46 N -2.31 0.04 0.09 4.11 1.01 -1.26 -1.24 121.20 121.64 2cry s ILE 46 Ca -0.06 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.31 2cry s ILE 46 Cb -0.01 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 2cry s ILE 46 CO -0.01 -0.16 -0.07 0.00 0.00 0.00 0.00 174.94 174.69 2cry s ALA 47 N -0.75 0.94 -0.44 9.38 0.00 -0.71 -4.67 121.76 125.51 2cry s ALA 47 Ca -0.08 -1.26 0.03 0.00 0.00 0.00 0.00 51.96 50.65 2cry s ALA 47 Cb -0.04 0.13 0.12 0.00 0.00 0.00 0.00 23.12 23.33 2cry s ALA 47 CO 0.03 -0.19 0.19 -1.58 0.00 0.00 0.00 175.76 174.21 2cry s TRP 48 N -3.21 2.97 -0.12 0.00 0.52 0.14 -2.28 118.94 116.96 2cry s TRP 48 Ca 0.08 -2.87 0.01 0.00 0.02 0.00 0.00 56.10 53.34 2cry s TRP 48 Cb 0.02 -2.58 -0.01 0.00 -1.15 0.00 0.00 33.47 29.76 2cry s TRP 48 CO -0.04 -0.81 -0.15 -1.54 0.02 0.00 0.00 176.95 174.43 2cry s SER 49 N 0.29 3.83 -0.01 2.95 1.04 -0.92 -1.80 113.70 119.07 2cry s SER 49 Ca 0.15 -0.36 -0.02 0.00 0.48 0.00 0.00 55.95 56.19 2cry s SER 49 Cb -0.23 -1.51 -0.01 0.00 0.10 0.00 0.00 66.02 64.37 2cry s SER 49 CO -0.04 0.18 -0.04 -2.67 0.98 0.00 0.00 173.24 171.65 2cry n TRP 50 N 3.43 0.00 0.00 5.02 2.14 -1.20 -2.42 117.44 124.42 2cry n TRP 50 Ca -0.18 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.39 2cry n TRP 50 Cb 0.53 -0.06 0.00 0.00 -0.81 0.00 0.00 31.31 30.97 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 -2.80 0.00 0.00 -2.67 4.76 -1.26 -4.71 118.16 111.49 2cry n LYS 51 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2cry n LYS 51 Cb 0.06 -0.15 0.00 0.00 -1.84 0.00 0.00 35.03 33.10 2cry n LYS 51 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2cry n GLU 52 N -1.87 3.67 -3.08 1.97 -0.58 -1.26 -5.05 120.64 114.44 2cry n GLU 52 Ca 0.00 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.38 2cry n GLU 52 Cb 0.00 -0.57 -0.06 0.00 -0.57 0.00 0.00 31.44 30.24 2cry n GLU 52 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2cry s ASN 53 N -1.03 7.10 -0.33 1.62 0.01 -1.26 -5.06 114.94 116.00 2cry s ASN 53 Ca 0.00 1.46 -0.01 0.00 -0.71 0.00 0.00 52.86 53.60 2cry s ASN 53 Cb 0.00 -2.43 0.11 0.00 0.41 0.00 0.00 41.25 39.34 2cry s ASN 53 CO 0.00 0.05 0.14 -0.69 -1.51 0.00 0.00 177.10 175.08 2cry s VAL 54 N -1.49 0.60 -0.29 1.60 1.01 -1.26 -3.20 120.40 117.36 2cry s VAL 54 Ca 0.43 -1.40 -0.18 0.00 0.00 0.00 0.00 61.98 60.83 2cry s VAL 54 Cb -0.17 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 2cry s VAL 54 CO 0.21 -0.76 0.50 -0.22 0.00 0.00 0.00 175.10 174.84 2cry s LEU 55 N 1.53 4.13 -0.16 3.92 2.96 -0.75 -4.86 118.68 125.45 2cry s LEU 55 Ca 0.12 0.34 -0.12 0.00 -0.22 0.00 0.00 54.13 54.24 2cry s LEU 55 Cb -0.18 -2.62 -0.08 0.00 0.50 0.00 0.00 46.19 43.81 2cry s LEU 55 CO -0.22 -0.33 -0.04 -0.33 -1.32 0.00 0.00 176.35 174.10 2cry h GLU 56 N 8.17 0.00 -2.01 1.98 5.08 -1.88 0.39 114.58 126.30 2cry h GLU 56 Ca -0.29 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.03 2cry h GLU 56 Cb 1.14 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.18 2cry h GLU 56 CO 0.72 0.29 0.13 -1.54 -1.00 0.00 0.00 179.01 177.61 2cry s SER 57 N -6.04 -0.74 0.00 1.42 1.04 -1.26 -4.69 113.70 103.43 2cry s SER 57 Ca -0.18 1.43 0.00 0.00 0.48 0.00 0.00 55.95 57.68 2cry s SER 57 Cb 0.03 1.45 0.00 0.00 0.10 0.00 0.00 66.02 67.60 2cry s SER 57 CO 0.32 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.89 2cry n GLY 58 N 2.67 -3.57 3.45 7.32 0.00 -1.25 -4.94 105.19 108.88 2cry n GLY 58 Ca -0.14 -2.15 -0.40 0.00 0.00 0.00 0.00 46.02 43.33 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 -0.95 4.86 0.00 2.61 2.01 -1.26 -3.25 115.64 119.66 2cry s THR 59 Ca 0.00 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.53 2cry s THR 59 Cb 0.00 -3.55 0.00 0.00 0.01 0.00 0.00 72.50 68.96 2cry s THR 59 CO 0.00 -0.05 0.00 -1.20 -0.69 0.00 0.00 174.62 172.68 2cry n SER 60 N 5.04 0.00 -3.47 3.53 7.64 -1.14 -4.97 113.62 120.25 2cry n SER 60 Ca -0.13 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.47 2cry n SER 60 Cb 0.48 -0.25 -0.11 0.00 -1.01 0.00 0.00 64.21 63.32 2cry n SER 60 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cry s GLY 61 N -2.08 1.07 -1.29 0.23 0.00 -1.26 -4.86 107.32 99.13 2cry s GLY 61 Ca 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 44.72 42.57 2cry s GLY 61 CO 0.00 2.04 0.00 0.54 0.00 0.00 0.00 173.10 175.68 2cry n ARG 62 N 3.56 -1.12 -3.59 2.90 1.74 -1.26 -4.99 116.66 113.90 2cry n ARG 62 Ca 0.18 0.76 -0.15 0.00 -0.77 0.00 0.00 57.85 57.87 2cry n ARG 62 Cb 0.40 -5.02 -0.13 0.00 -1.02 0.00 0.00 32.46 26.69 2cry n ARG 62 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2cry s TYR 63 N -2.68 -0.37 -0.37 -1.55 2.02 -1.26 -3.53 117.35 109.60 2cry s TYR 63 Ca 0.00 0.69 0.01 0.00 -0.37 0.00 0.00 57.07 57.40 2cry s TYR 63 Cb 0.00 -0.16 0.11 0.00 -0.40 0.00 0.00 41.96 41.51 2cry s TYR 63 CO 0.00 -0.44 0.12 0.99 -1.57 0.00 0.00 175.55 174.65 2cry s THR 64 N 2.38 2.72 0.30 -0.71 2.01 -0.37 -2.88 115.64 119.09 2cry s THR 64 Ca 0.04 -2.25 -0.27 0.00 0.31 0.00 0.00 61.69 59.52 2cry s THR 64 Cb -0.13 -2.94 -0.10 0.00 0.01 0.00 0.00 72.50 69.34 2cry s THR 64 CO -0.10 -0.64 0.94 -0.69 -0.69 0.00 0.00 174.62 173.43 2cry s VAL 65 N 0.98 4.18 -0.28 3.82 1.01 -1.20 -1.91 120.40 127.00 2cry s VAL 65 Ca 0.10 1.88 -0.01 0.00 0.00 0.00 0.00 61.98 63.95 2cry s VAL 65 Cb -0.21 -4.09 0.17 0.00 0.00 0.00 0.00 36.38 32.25 2cry s VAL 65 CO -0.06 0.24 0.53 -1.61 0.00 0.00 0.00 175.10 174.20 2cry s GLU 66 N -1.81 0.50 0.06 2.72 2.02 0.43 -3.85 118.70 118.77 2cry s GLU 66 Ca 0.47 0.82 -0.12 0.00 0.02 0.00 0.00 54.97 56.16 2cry s GLU 66 Cb -0.21 0.21 -0.06 0.00 0.10 0.00 0.00 34.13 34.17 2cry s GLU 66 CO 0.26 -0.66 0.42 0.99 0.02 0.00 0.00 175.26 176.28 2cry s THR 67 N 2.76 5.05 0.35 3.63 2.01 -1.26 -1.23 115.64 126.94 2cry s THR 67 Ca 0.18 0.62 0.09 0.00 0.31 0.00 0.00 61.69 62.89 2cry s THR 67 Cb -0.15 -3.67 -0.07 0.00 0.01 0.00 0.00 72.50 68.62 2cry s THR 67 CO -0.20 0.39 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.41 2cry s ILE 68 N -1.29 2.19 -0.20 1.82 -1.09 0.28 -4.92 121.20 117.98 2cry s ILE 68 Ca 0.30 -2.18 0.01 0.00 -2.23 0.00 0.00 60.65 56.54 2cry s ILE 68 Cb -0.15 -2.67 0.03 0.00 -1.58 0.00 0.00 42.46 38.08 2cry s ILE 68 CO 0.16 -0.19 -0.16 -0.94 -1.23 0.00 0.00 174.94 172.59 2cry s SER 69 N -3.61 3.58 0.41 3.58 1.04 -1.26 -1.06 113.70 116.38 2cry s SER 69 Ca 0.33 -0.78 0.07 0.00 0.48 0.00 0.00 55.95 56.05 2cry s SER 69 Cb 0.03 -1.53 -0.06 0.00 0.10 0.00 0.00 66.02 64.56 2cry s SER 69 CO 0.16 -0.05 0.15 0.42 0.98 0.00 0.00 173.24 174.91 2cry s THR 70 N 1.28 2.24 0.26 2.02 -4.23 0.12 -4.95 115.64 112.38 2cry s THR 70 Ca 0.02 -1.75 0.35 0.00 -1.18 0.00 0.00 61.69 59.13 2cry s THR 70 Cb -0.15 -2.99 0.38 0.00 1.34 0.00 0.00 72.50 71.09 2cry s THR 70 CO -0.10 0.00 2.06 1.05 -0.54 0.00 0.00 174.62 177.09 2cry h GLU 71 N 1.48 0.00 0.00 3.99 9.09 -1.98 -2.05 114.58 125.11 2cry h GLU 71 Ca -0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.98 2cry h GLU 71 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 2cry h GLU 71 CO 0.72 0.03 -0.95 0.39 0.05 0.00 0.00 179.01 179.25 2cry n GLU 72 N -3.17 0.09 0.00 1.06 1.02 -1.26 -5.05 120.64 113.32 2cry n GLU 72 Ca -0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2cry n GLU 72 Cb 0.26 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 2cry n GLU 72 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cry n GLY 73 N 1.46 -0.31 3.24 0.62 0.00 -0.77 -2.87 105.19 106.55 2cry n GLY 73 Ca 0.03 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.21 1.61 -7.23 0.11 0.16 120.40 114.84 2cry s VAL 74 Ca 0.00 -1.95 -0.04 0.00 -1.81 0.00 0.00 61.98 58.18 2cry s VAL 74 Cb 0.00 -2.48 0.07 0.00 0.56 0.00 0.00 36.38 34.53 2cry s VAL 74 CO 0.00 0.00 0.09 -0.63 -0.31 0.00 0.00 175.10 174.25 2cry s ILE 75 N -4.09 0.13 -0.64 -0.62 1.01 -0.23 -1.70 121.20 115.06 2cry s ILE 75 Ca 0.38 -0.47 -0.24 0.00 0.00 0.00 0.00 60.65 60.32 2cry s ILE 75 Cb 0.06 -0.84 0.05 0.00 0.01 0.00 0.00 42.46 41.74 2cry s ILE 75 CO 0.13 -0.39 1.03 -0.55 0.00 0.00 0.00 174.94 175.16 2cry s SER 76 N 2.03 6.23 -0.14 3.58 0.15 -1.21 -0.56 113.70 123.79 2cry s SER 76 Ca 0.03 -0.64 -0.05 0.00 0.70 0.00 0.00 55.95 55.99 2cry s SER 76 Cb -0.16 -2.46 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 2cry s SER 76 CO -0.16 -1.45 0.03 -0.89 1.20 0.00 0.00 173.24 171.97 2cry s THR 77 N 4.38 4.54 -0.10 6.45 2.01 -0.37 -1.87 115.64 130.69 2cry s THR 77 Ca 0.28 -0.14 -0.00 0.00 0.31 0.00 0.00 61.69 62.14 2cry s THR 77 Cb -0.13 -2.98 0.02 0.00 0.01 0.00 0.00 72.50 69.42 2cry s THR 77 CO 0.14 0.53 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.32 2cry s LEU 78 N -0.21 1.15 -0.12 4.42 0.20 -1.00 -0.43 118.68 122.69 2cry s LEU 78 Ca 0.06 -0.26 -0.07 0.00 0.69 0.00 0.00 54.13 54.56 2cry s LEU 78 Cb -0.12 -0.75 -0.04 0.00 -0.43 0.00 0.00 46.19 44.84 2cry s LEU 78 CO 0.02 -0.11 0.13 -0.89 -0.29 0.00 0.00 176.35 175.20 2cry s THR 79 N 1.59 5.39 -0.30 3.68 2.01 -0.80 -1.39 115.64 125.82 2cry s THR 79 Ca 0.02 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.21 2cry s THR 79 Cb -0.13 -3.35 0.07 0.00 0.01 0.00 0.00 72.50 69.10 2cry s THR 79 CO -0.06 0.60 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.82 2cry s ILE 80 N -0.91 2.38 0.19 1.82 1.01 -1.26 -1.24 121.20 123.20 2cry s ILE 80 Ca 0.14 -1.86 -0.30 0.00 0.00 0.00 0.00 60.65 58.63 2cry s ILE 80 Cb -0.12 -2.53 -0.08 0.00 0.01 0.00 0.00 42.46 39.74 2cry s ILE 80 CO 0.03 -0.27 1.25 -0.55 0.00 0.00 0.00 174.94 175.40 2cry s SER 81 N 1.10 7.00 -1.36 3.58 0.15 -1.23 -3.36 113.70 119.59 2cry s SER 81 Ca -0.01 2.31 -0.00 0.00 0.70 0.00 0.00 55.95 58.95 2cry s SER 81 Cb -0.20 -2.61 -0.00 0.00 -1.71 0.00 0.00 66.02 61.50 2cry s SER 81 CO -0.05 -0.44 0.55 0.59 1.20 0.00 0.00 173.24 175.08 2cry n ASN 82 N 2.53 -0.77 -4.42 5.45 3.02 -1.23 -4.86 115.26 114.97 2cry n ASN 82 Ca 0.05 -0.92 -0.38 0.00 -0.03 0.00 0.00 54.58 53.30 2cry n ASN 82 Cb 0.44 -3.51 0.04 0.00 -0.61 0.00 0.00 39.78 36.14 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 -4.34 1.74 -4.15 2.41 3.06 -1.21 -4.74 119.36 112.13 2cry n ILE 83 Ca -0.30 -0.47 -0.16 0.00 -2.50 0.00 0.00 62.75 59.31 2cry n ILE 83 Cb 0.68 -0.58 -0.12 0.00 0.54 0.00 0.00 39.64 40.17 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 -1.82 0.95 0.30 9.51 -7.23 -1.26 -3.22 120.40 117.62 2cry s VAL 84 Ca 0.65 -1.34 0.14 0.00 -1.81 0.00 0.00 61.98 59.61 2cry s VAL 84 Cb -0.42 -1.04 0.31 0.00 0.56 0.00 0.00 36.38 35.79 2cry s VAL 84 CO 0.58 -0.34 1.31 0.54 -0.31 0.00 0.00 175.10 176.88 2cry n ARG 85 N 1.13 -0.05 -0.22 4.82 1.74 -1.26 0.13 116.66 122.95 2cry n ARG 85 Ca -0.20 1.17 0.02 0.00 -0.77 0.00 0.00 57.85 58.07 2cry n ARG 85 Cb 0.55 -2.05 0.12 0.00 -1.02 0.00 0.00 32.46 30.06 2cry n ARG 85 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2cry h ALA 86 N 1.67 0.69 -1.71 7.54 0.00 -2.00 0.17 119.26 125.61 2cry h ALA 86 Ca 0.66 0.19 0.50 0.00 0.00 0.00 0.00 54.91 56.26 2cry h ALA 86 Cb 1.67 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 19.69 2cry h ALA 86 CO -0.68 -0.38 1.22 -0.44 0.00 0.00 0.00 179.25 178.97 2cry h ASP 87 N 0.15 0.04 -0.02 0.00 5.19 0.73 1.23 116.42 123.73 2cry h ASP 87 Ca 0.35 0.02 -0.23 0.00 -0.62 0.00 0.00 57.03 56.55 2cry h ASP 87 Cb 0.57 0.02 0.02 0.00 0.18 0.00 0.00 39.33 40.12 2cry h ASP 87 CO -0.53 -0.03 -0.87 -0.26 -3.12 0.00 0.00 179.24 174.43 2cry h PHE 88 N 0.01 0.92 -0.05 4.55 0.04 -0.78 -3.24 116.94 118.39 2cry h PHE 88 Ca 0.84 -0.49 -0.11 0.00 2.80 0.00 0.00 57.97 61.02 2cry h PHE 88 Cb 3.28 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 41.31 2cry h PHE 88 CO -0.00 1.32 -0.46 1.96 -0.60 0.00 0.00 178.31 180.52 2cry h GLN 89 N 0.27 0.12 -6.63 1.51 4.20 0.14 -3.40 115.11 111.33 2cry h GLN 89 Ca -0.10 -0.06 -0.52 0.00 0.06 0.00 0.00 58.65 58.02 2cry h GLN 89 Cb 1.54 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.33 2cry h GLN 89 CO 0.17 0.56 0.50 0.99 -0.67 0.00 0.00 178.83 180.39 2cry s THR 90 N -4.01 3.87 -0.24 -0.54 2.01 0.09 -5.01 115.64 111.80 2cry s THR 90 Ca -0.03 1.55 -0.19 0.00 0.31 0.00 0.00 61.69 63.33 2cry s THR 90 Cb 0.13 -3.99 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 2cry s THR 90 CO 0.76 0.24 0.58 -0.63 -0.69 0.00 0.00 174.62 174.88 2cry s ILE 91 N 0.02 5.03 0.08 1.82 1.09 -1.26 -4.59 121.20 123.38 2cry s ILE 91 Ca 0.51 1.03 -0.14 0.00 -1.10 0.00 0.00 60.65 60.96 2cry s ILE 91 Cb -0.30 -3.89 -0.06 0.00 -1.06 0.00 0.00 42.46 37.15 2cry s ILE 91 CO 0.34 0.07 0.47 -0.31 -0.10 0.00 0.00 174.94 175.42 2cry s TYR 92 N 2.28 3.66 -0.09 3.97 2.02 -0.11 -4.01 117.35 125.07 2cry s TYR 92 Ca 0.24 0.99 -0.04 0.00 -0.37 0.00 0.00 57.07 57.90 2cry s TYR 92 Cb -0.16 -2.30 0.05 0.00 -0.40 0.00 0.00 41.96 39.15 2cry s TYR 92 CO 0.09 0.53 0.18 -0.80 -1.57 0.00 0.00 175.55 173.98 2cry s ASN 93 N -1.49 0.24 -0.40 2.29 0.01 -1.01 0.03 114.94 114.60 2cry s ASN 93 Ca 0.32 0.38 -0.10 0.00 -0.71 0.00 0.00 52.86 52.75 2cry s ASN 93 Cb -0.16 0.32 0.06 0.00 0.41 0.00 0.00 41.25 41.89 2cry s ASN 93 CO 0.17 -0.20 0.24 0.00 -1.51 0.00 0.00 177.10 175.80 2cry s THR 95 N 1.47 5.47 0.38 0.00 2.01 -0.97 -3.45 115.64 120.54 2cry s THR 95 Ca 0.02 0.24 0.08 0.00 0.31 0.00 0.00 61.69 62.34 2cry s THR 95 Cb -0.22 -3.43 -0.06 0.00 0.01 0.00 0.00 72.50 68.81 2cry s THR 95 CO 0.04 0.59 0.06 0.00 -0.69 0.00 0.00 174.62 174.61 2cry s ALA 96 N -0.82 3.29 -0.23 7.40 0.00 -0.49 -1.75 121.76 129.17 2cry s ALA 96 Ca 0.14 -2.08 -0.03 0.00 0.00 0.00 0.00 51.96 49.99 2cry s ALA 96 Cb -0.12 -0.25 0.12 0.00 0.00 0.00 0.00 23.12 22.86 2cry s ALA 96 CO 0.04 -0.04 0.30 -1.58 0.00 0.00 0.00 175.76 174.48 2cry s TRP 97 N -2.58 -0.55 0.29 0.00 0.51 -0.37 -3.50 118.94 112.74 2cry s TRP 97 Ca 0.37 0.43 0.11 0.00 -2.12 0.00 0.00 56.10 54.89 2cry s TRP 97 Cb 0.03 -0.21 -0.05 0.00 -0.81 0.00 0.00 33.47 32.43 2cry s TRP 97 CO 0.20 -0.70 -0.16 1.21 -0.51 0.00 0.00 176.95 176.99 2cry s ASN 98 N 2.43 3.72 0.66 2.95 2.47 0.76 -0.13 114.94 127.80 2cry s ASN 98 Ca 0.10 -1.02 0.26 0.00 0.42 0.00 0.00 52.86 52.62 2cry s ASN 98 Cb -0.15 -0.37 1.39 0.00 -1.45 0.00 0.00 41.25 40.67 2cry s ASN 98 CO -0.17 -0.01 1.79 0.28 -3.72 0.00 0.00 177.10 175.27 2cry h SER 99 N 2.18 0.00 0.00 -4.21 0.02 -1.95 -0.88 113.55 108.71 2cry h SER 99 Ca -0.41 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.42 2cry h SER 99 Cb 1.26 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.78 2cry h SER 99 CO 0.62 0.00 -0.69 -0.26 -1.14 0.00 0.00 176.83 175.36 2cry h PHE 100 N 0.00 0.00 0.00 3.45 -1.00 -1.94 -3.51 116.94 113.94 2cry h PHE 100 Ca 0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.81 2cry h PHE 100 Cb 0.94 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.50 2cry h PHE 100 CO 0.00 1.09 0.00 0.41 -1.61 0.00 0.00 178.31 178.20 2cry n GLY 101 N 1.53 1.16 3.74 -1.45 0.00 -0.34 -4.84 105.19 104.99 2cry n GLY 101 Ca -0.20 0.27 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 2cry n GLY 101 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cry s SER 102 N 2.00 -0.20 -0.00 1.61 0.15 -1.26 -0.17 113.70 115.82 2cry s SER 102 Ca 0.00 -0.38 -0.28 0.00 0.70 0.00 0.00 55.95 55.99 2cry s SER 102 Cb 0.00 0.50 0.07 0.00 -1.71 0.00 0.00 66.02 64.87 2cry s SER 102 CO 0.00 -0.91 0.64 -0.62 1.20 0.00 0.00 173.24 173.55 2cry s ASP 103 N -2.90 -0.61 0.13 5.45 2.15 -1.23 -4.78 116.67 114.88 2cry s ASP 103 Ca 0.11 0.53 0.04 0.00 0.43 0.00 0.00 52.55 53.66 2cry s ASP 103 Cb -0.02 0.54 -0.04 0.00 -0.30 0.00 0.00 42.92 43.10 2cry s ASP 103 CO 0.01 -0.68 -0.09 -0.89 -0.17 0.00 0.00 175.17 173.36 2cry s THR 104 N -1.75 1.00 -0.14 1.71 2.01 -1.26 -1.40 115.64 115.82 2cry s THR 104 Ca -0.08 -2.00 -0.09 0.00 0.31 0.00 0.00 61.69 59.83 2cry s THR 104 Cb -0.00 -1.77 0.05 0.00 0.01 0.00 0.00 72.50 70.78 2cry s THR 104 CO 0.05 -0.78 0.33 -0.70 -0.69 0.00 0.00 174.62 172.83 2cry s GLU 105 N -3.73 0.33 -0.00 4.92 2.56 -1.22 -4.93 118.70 116.62 2cry s GLU 105 Ca 0.15 0.60 -0.20 0.00 0.00 0.00 0.00 54.97 55.52 2cry s GLU 105 Cb 0.03 0.01 -0.05 0.00 2.00 0.00 0.00 34.13 36.12 2cry s GLU 105 CO -0.01 -0.12 0.59 0.42 -0.56 0.00 0.00 175.26 175.58 2cry s ILE 106 N 0.97 4.91 -0.10 -3.70 1.01 -1.26 -2.81 121.20 120.22 2cry s ILE 106 Ca -0.06 1.24 -0.04 0.00 0.00 0.00 0.00 60.65 61.79 2cry s ILE 106 Cb -0.07 -3.93 0.05 0.00 0.01 0.00 0.00 42.46 38.52 2cry s ILE 106 CO -0.07 0.42 0.19 -0.63 0.00 0.00 0.00 174.94 174.85 2cry s ILE 107 N -0.20 -0.25 -0.25 2.92 1.09 0.11 -5.00 121.20 119.61 2cry s ILE 107 Ca 0.31 0.29 -0.02 0.00 -1.10 0.00 0.00 60.65 60.14 2cry s ILE 107 Cb -0.18 -0.33 0.03 0.00 -1.06 0.00 0.00 42.46 40.91 2cry s ILE 107 CO 0.17 0.12 -0.05 -0.13 -0.10 0.00 0.00 174.94 174.95 2cry s ARG 108 N 2.08 2.79 0.62 2.79 3.00 -1.26 -0.93 118.95 128.04 2cry s ARG 108 Ca -0.00 -1.01 -0.15 0.00 0.00 0.00 0.00 55.73 54.57 2cry s ARG 108 Cb -0.12 -3.01 -0.02 0.00 0.00 0.00 0.00 34.95 31.80 2cry s ARG 108 CO -0.07 -0.42 1.07 -1.17 0.00 0.00 0.00 175.30 174.71 2cry s LEU 109 N 1.32 3.44 0.33 2.53 2.96 -1.26 -5.06 118.68 122.94 2cry s LEU 109 Ca -0.00 1.85 -0.18 0.00 -0.22 0.00 0.00 54.13 55.58 2cry s LEU 109 Cb -0.17 -4.53 0.05 0.00 0.50 0.00 0.00 46.19 42.04 2cry s LEU 109 CO -0.04 -1.31 0.82 -0.54 -1.32 0.00 0.00 176.35 173.96 2cry s LYS 110 N -4.16 2.01 0.63 1.98 1.02 -1.26 -4.13 119.74 115.83 2cry s LYS 110 Ca 0.64 -1.26 -0.10 0.00 0.02 0.00 0.00 55.97 55.26 2cry s LYS 110 Cb -0.17 0.58 -0.02 0.00 -0.52 0.00 0.00 37.83 37.70 2cry s LYS 110 CO 0.40 -0.94 1.03 -1.21 -0.92 0.00 0.00 175.35 173.70 2cry s GLU 111 N -2.56 3.35 0.63 1.68 2.02 -1.22 -2.31 118.70 120.30 2cry s GLU 111 Ca 0.16 0.59 0.27 0.00 0.02 0.00 0.00 54.97 56.00 2cry s GLU 111 Cb -0.05 -2.09 1.39 0.00 0.10 0.00 0.00 34.13 33.48 2cry s GLU 111 CO 0.10 -0.68 1.80 -0.56 0.02 0.00 0.00 175.26 175.93 2cry h GLN 112 N -0.37 0.00 -6.17 1.61 3.07 -1.77 -3.41 115.11 108.07 2cry h GLN 112 Ca -0.45 0.00 -0.49 0.00 0.09 0.00 0.00 58.65 57.80 2cry h GLN 112 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.76 2cry h GLN 112 CO 0.62 0.00 -0.42 0.20 0.09 0.00 0.00 178.83 179.33 2cry s GLY 113 N -3.73 1.41 -0.24 0.06 0.00 -1.26 -5.07 107.32 98.49 2cry s GLY 113 Ca -0.03 -1.12 -0.22 0.00 0.00 0.00 0.00 44.72 43.35 2cry s GLY 113 CO 0.37 -1.12 0.71 -0.56 0.00 0.00 0.00 173.10 172.51 2cry s SER 114 N -3.70 6.71 0.05 1.64 0.01 -1.26 -4.90 113.70 112.24 2cry s SER 114 Ca 0.35 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.48 2cry s SER 114 Cb -0.10 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2cry s SER 114 CO 0.29 -0.41 0.00 1.21 0.41 0.00 0.00 173.24 174.75 2cry n GLU 115 N 5.68 0.00 -2.69 12.44 2.13 -1.26 -4.96 120.64 131.98 2cry n GLU 115 Ca 0.02 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.42 2cry n GLU 115 Cb 0.49 -0.19 -0.03 0.00 0.27 0.00 0.00 31.44 31.97 2cry n GLU 115 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 2cry s MET 116 N -1.41 3.36 0.03 5.31 -1.94 -1.26 -4.97 119.30 118.42 2cry s MET 116 Ca 0.00 -0.92 0.01 0.00 -1.71 0.00 0.00 55.69 53.07 2cry s MET 116 Cb 0.00 -4.68 -0.02 0.00 2.01 0.00 0.00 34.83 32.14 2cry s MET 116 CO 0.00 -2.02 -0.05 -1.54 -0.01 0.00 0.00 175.02 171.40 2cry s SER 117 N 4.07 0.53 0.00 3.03 1.04 -1.26 -5.14 113.70 115.98 2cry s SER 117 Ca 0.35 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.27 2cry s SER 117 Cb -0.07 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.11 2cry s SER 117 CO 0.02 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2cry n GLY 118 N 1.59 4.29 3.56 7.32 0.00 -1.26 -5.07 105.19 115.62 2cry n GLY 118 Ca -0.23 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.93 2.80 0.37 1.61 0.04 -1.26 -4.97 135.00 130.66 2cry s PRO 119 Ca 0.00 0.76 -0.26 0.00 0.04 0.00 0.00 61.00 61.55 2cry s PRO 119 Cb 0.00 -4.34 -0.09 0.00 0.04 0.00 0.00 34.50 30.11 2cry s PRO 119 CO 0.00 -2.52 1.11 -1.54 0.04 0.00 0.00 177.00 174.09 2cry s SER 120 N 7.54 6.76 1.07 6.66 1.04 -1.26 -5.01 113.70 130.49 2cry s SER 120 Ca 0.69 2.22 -0.12 0.00 0.48 0.00 0.00 55.95 59.23 2cry s SER 120 Cb -0.14 -2.61 0.23 0.00 0.10 0.00 0.00 66.02 63.60 2cry s SER 120 CO 0.23 -0.50 1.08 -0.55 0.98 0.00 0.00 173.24 174.48 2cry s SER 121 N -1.23 1.71 0.00 7.02 0.15 -1.26 -5.34 113.70 114.75 2cry s SER 121 Ca 0.55 1.81 0.00 0.00 0.70 0.00 0.00 55.95 59.01 2cry s SER 121 Cb -0.28 -2.43 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 2cry s SER 121 CO 0.35 -3.80 0.00 0.61 1.20 0.00 0.00 173.24 171.60