#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 4.95 -0.01 1.61 0.15 -1.26 -5.09 113.70 114.05 2cry s SER 2 Ca 0.00 -0.37 -0.14 0.00 0.70 0.00 0.00 55.95 56.14 2cry s SER 2 Cb 0.00 -1.87 -0.06 0.00 -1.71 0.00 0.00 66.02 62.38 2cry s SER 2 CO 0.00 -0.07 0.38 -0.44 1.20 0.00 0.00 173.24 174.31 2cry s SER 3 N 1.56 6.77 0.00 5.45 0.01 -1.26 -4.97 113.70 121.26 2cry s SER 3 Ca 0.05 0.92 0.00 0.00 1.31 0.00 0.00 55.95 58.23 2cry s SER 3 Cb -0.15 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.84 2cry s SER 3 CO 0.02 0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.61 2cry n GLY 4 N 1.83 -0.28 4.38 3.44 0.00 -1.26 -5.01 105.19 108.28 2cry n GLY 4 Ca -0.15 0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 2cry n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cry n SER 5 N -0.17 -1.83 -4.03 1.61 7.64 -1.26 -4.92 113.62 110.66 2cry n SER 5 Ca 0.00 -1.16 -0.27 0.00 1.01 0.00 0.00 58.87 58.45 2cry n SER 5 Cb 0.00 -2.07 -0.17 0.00 -1.01 0.00 0.00 64.21 60.97 2cry n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cry s SER 6 N -3.49 2.14 0.31 6.43 1.04 -1.26 -5.07 113.70 113.80 2cry s SER 6 Ca 0.64 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.71 2cry s SER 6 Cb -0.36 -0.96 0.00 0.00 0.10 0.00 0.00 66.02 64.80 2cry s SER 6 CO 0.98 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.83 2cry n GLY 7 N 4.08 -2.48 3.58 7.32 0.00 -1.26 -4.63 105.19 111.80 2cry n GLY 7 Ca -0.20 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 2cry n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cry s THR 8 N -2.92 3.68 0.18 2.61 -4.23 -1.26 -4.98 115.64 108.72 2cry s THR 8 Ca 0.00 0.61 -0.30 0.00 -1.18 0.00 0.00 61.69 60.82 2cry s THR 8 Cb 0.00 -4.13 -0.08 0.00 1.34 0.00 0.00 72.50 69.64 2cry s THR 8 CO 0.00 -0.87 0.97 -1.48 -0.54 0.00 0.00 174.62 172.71 2cry s LEU 9 N 6.59 4.57 0.04 4.79 2.34 -1.26 -5.06 118.68 130.69 2cry s LEU 9 Ca 0.63 1.92 0.00 0.00 0.06 0.00 0.00 54.13 56.74 2cry s LEU 9 Cb -0.14 -3.60 -0.03 0.00 -0.56 0.00 0.00 46.19 41.86 2cry s LEU 9 CO 0.28 0.01 -0.05 0.28 -1.06 0.00 0.00 176.35 175.82 2cry s THR 10 N -0.59 0.30 -0.01 5.48 -1.32 -1.26 -5.16 115.64 113.08 2cry s THR 10 Ca 0.44 -1.27 0.00 0.00 -1.21 0.00 0.00 61.69 59.65 2cry s THR 10 Cb -0.26 -0.79 0.01 0.00 -1.51 0.00 0.00 72.50 69.96 2cry s THR 10 CO 0.32 -0.63 0.01 0.68 -2.21 0.00 0.00 174.62 172.79 2cry s VAL 11 N -2.25 0.03 0.49 5.08 -7.23 -1.26 -5.16 120.40 110.09 2cry s VAL 11 Ca -0.06 0.07 0.05 0.00 -1.81 0.00 0.00 61.98 60.23 2cry s VAL 11 Cb -0.04 -0.09 -0.01 0.00 0.56 0.00 0.00 36.38 36.80 2cry s VAL 11 CO -0.03 0.06 0.20 0.20 -0.31 0.00 0.00 175.10 175.21 2cry s ASN 12 N 0.49 4.39 0.00 4.85 -0.87 -1.26 -4.80 114.94 117.74 2cry s ASN 12 Ca -0.04 -1.32 0.00 0.00 -1.57 0.00 0.00 52.86 49.92 2cry s ASN 12 Cb -0.06 0.14 0.00 0.00 -0.02 0.00 0.00 41.25 41.31 2cry s ASN 12 CO -0.01 -0.83 0.00 0.61 -2.57 0.00 0.00 177.10 174.30 2cry n GLY 13 N -1.42 0.22 3.69 0.66 0.00 -1.19 -5.00 105.19 102.14 2cry n GLY 13 Ca -0.07 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.00 0.73 0.06 1.61 0.04 -1.26 -4.47 135.00 129.71 2cry s PRO 14 Ca 0.00 0.63 -0.31 0.00 0.04 0.00 0.00 61.00 61.36 2cry s PRO 14 Cb 0.00 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.71 2cry s PRO 14 CO 0.00 -2.55 1.40 -1.25 0.04 0.00 0.00 177.00 174.64 2cry s PRO 15 N -4.95 4.30 -0.15 0.56 0.04 -1.26 -4.64 135.00 128.89 2cry s PRO 15 Ca 0.65 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.69 2cry s PRO 15 Cb -0.18 -3.42 -0.02 0.00 0.04 0.00 0.00 34.50 30.91 2cry s PRO 15 CO 0.57 -0.51 -0.06 0.42 0.04 0.00 0.00 177.00 177.46 2cry s ILE 16 N 1.79 3.63 -0.37 0.56 1.01 -1.26 -4.25 121.20 122.31 2cry s ILE 16 Ca 0.65 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.87 2cry s ILE 16 Cb -0.34 -2.58 0.11 0.00 0.01 0.00 0.00 42.46 39.65 2cry s ILE 16 CO 0.29 0.49 0.10 -0.63 0.00 0.00 0.00 174.94 175.19 2cry s ILE 17 N 0.46 2.54 0.00 2.92 1.01 -1.26 -0.46 121.20 126.41 2cry s ILE 17 Ca -0.05 -2.37 -0.04 0.00 0.00 0.00 0.00 60.65 58.19 2cry s ILE 17 Cb -0.15 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 2cry s ILE 17 CO 0.03 -0.64 0.94 -1.28 0.00 0.00 0.00 174.94 173.99 2cry h SER 18 N 7.61 -0.12 -2.11 3.58 0.87 -1.96 -3.46 113.55 117.97 2cry h SER 18 Ca -0.06 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.58 2cry h SER 18 Cb 1.02 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 2cry h SER 18 CO 0.57 -0.08 0.36 -1.20 -0.53 0.00 0.00 176.83 175.95 2cry n SER 19 N -2.42 -1.36 -0.01 6.23 7.64 -1.26 -5.06 113.62 117.38 2cry n SER 19 Ca -0.02 -1.79 0.00 0.00 1.01 0.00 0.00 58.87 58.07 2cry n SER 19 Cb 0.06 2.23 -0.04 0.00 -1.01 0.00 0.00 64.21 65.44 2cry n SER 19 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2cry n THR 20 N -0.48 0.16 -3.99 0.44 -2.24 -1.26 -0.78 114.28 106.13 2cry n THR 20 Ca -0.03 -0.18 -0.29 0.00 -2.27 0.00 0.00 64.05 61.28 2cry n THR 20 Cb 0.42 -0.18 -0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 -1.92 -4.00 -0.71 -0.78 1.13 -1.26 -4.23 117.38 105.61 2cry n GLN 21 Ca -0.05 0.47 -0.25 0.00 -1.94 0.00 0.00 57.00 55.24 2cry n GLN 21 Cb 0.39 -5.01 0.11 0.00 0.11 0.00 0.00 30.24 25.83 2cry n GLN 21 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2cry n THR 22 N -4.45 0.00 -4.27 5.09 -2.24 -1.26 -4.93 114.28 102.22 2cry n THR 22 Ca -0.11 -0.10 -0.20 0.00 -2.27 0.00 0.00 64.05 61.37 2cry n THR 22 Cb 0.59 -0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 2cry n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cry n GLN 23 N -0.29 1.11 -2.79 -0.78 0.00 -1.26 -5.06 117.38 108.31 2cry n GLN 23 Ca 0.02 -2.40 -0.43 0.00 0.00 0.00 0.00 57.00 54.19 2cry n GLN 23 Cb 0.48 0.53 -0.02 0.00 0.00 0.00 0.00 30.24 31.22 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 -2.08 2.95 0.21 2.61 3.76 -1.26 -4.62 115.29 116.87 2cry s HIS 24 Ca 0.06 -1.31 -0.32 0.00 -0.15 0.00 0.00 55.06 53.34 2cry s HIS 24 Cb -0.01 -4.45 -0.13 0.00 1.11 0.00 0.00 32.58 29.11 2cry s HIS 24 CO 0.04 -1.64 1.58 0.00 -0.85 0.00 0.00 174.74 173.87 2cry n ALA 25 N 7.30 1.86 -2.50 -1.40 0.00 -1.18 -4.47 120.51 120.12 2cry n ALA 25 Ca 0.30 0.41 -0.23 0.00 0.00 0.00 0.00 53.44 53.92 2cry n ALA 25 Cb 0.49 -2.39 -0.06 0.00 0.00 0.00 0.00 19.45 17.49 2cry n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2cry s LEU 26 N 0.53 3.29 -0.09 0.00 1.43 -1.26 -3.38 118.68 119.20 2cry s LEU 26 Ca 0.73 -0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 53.05 2cry s LEU 26 Cb -0.60 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 43.84 2cry s LEU 26 CO 0.41 -0.34 2.30 0.00 0.23 0.00 0.00 176.35 178.96 2cry n HIS 27 N -1.20 0.41 -2.60 0.29 1.44 -1.26 -3.65 115.22 108.65 2cry n HIS 27 Ca -0.02 -1.33 -0.01 0.00 -2.01 0.00 0.00 57.72 54.34 2cry n HIS 27 Cb 0.61 -0.82 0.08 0.00 0.12 0.00 0.00 29.99 29.99 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 1.38 1.01 3.83 -1.39 0.00 -1.26 -5.15 105.19 103.61 2cry n GLY 28 Ca 0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.08 0.75 -0.29 1.61 4.04 -1.24 -5.14 118.70 118.51 2cry s GLU 29 Ca 0.06 -0.46 -0.17 0.00 0.04 0.00 0.00 54.97 54.44 2cry s GLU 29 Cb 0.29 0.22 -0.02 0.00 0.02 0.00 0.00 34.13 34.64 2cry s GLU 29 CO -0.08 -0.35 0.45 0.15 -1.84 0.00 0.00 175.26 173.59 2cry s LYS 30 N -2.32 3.89 -0.49 -4.83 1.02 -1.26 -4.35 119.74 111.40 2cry s LYS 30 Ca 0.21 0.03 -0.27 0.00 0.02 0.00 0.00 55.97 55.96 2cry s LYS 30 Cb 0.00 -3.71 -0.02 0.00 -0.52 0.00 0.00 37.83 33.59 2cry s LYS 30 CO 0.00 -0.41 1.86 0.20 -0.92 0.00 0.00 175.35 176.08 2cry s GLY 31 N 1.65 0.42 0.13 -3.33 0.00 -1.15 -4.74 107.32 100.29 2cry s GLY 31 Ca 0.17 -0.24 -0.11 0.00 0.00 0.00 0.00 44.72 44.54 2cry s GLY 31 CO 0.11 3.39 0.47 1.62 0.00 0.00 0.00 173.10 178.68 2cry s GLN 32 N 6.52 3.83 -0.36 2.90 0.74 -1.26 -2.28 119.66 129.74 2cry s GLN 32 Ca 0.74 0.28 0.00 0.00 0.05 0.00 0.00 55.36 56.43 2cry s GLN 32 Cb -0.17 -2.92 0.12 0.00 1.10 0.00 0.00 33.01 31.14 2cry s GLN 32 CO 0.26 0.49 0.16 0.42 -0.55 0.00 0.00 175.29 176.08 2cry s ILE 33 N -1.49 1.05 -0.29 -2.34 1.01 -0.90 -4.49 121.20 113.76 2cry s ILE 33 Ca 0.37 -1.88 -0.25 0.00 0.00 0.00 0.00 60.65 58.89 2cry s ILE 33 Cb -0.14 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.57 2cry s ILE 33 CO 0.19 -0.78 0.85 -0.75 0.00 0.00 0.00 174.94 174.46 2cry s LYS 34 N 1.08 4.05 -0.34 2.79 2.20 -1.26 -2.11 119.74 126.16 2cry s LYS 34 Ca 0.13 0.79 -0.13 0.00 -0.36 0.00 0.00 55.97 56.40 2cry s LYS 34 Cb -0.20 -3.70 -0.02 0.00 -1.51 0.00 0.00 37.83 32.39 2cry s LYS 34 CO -0.13 -0.67 0.27 0.00 -0.36 0.00 0.00 175.35 174.46 2cry s PHE 36 N 1.80 2.62 -0.58 0.00 0.40 0.04 -2.83 117.98 119.43 2cry s PHE 36 Ca 0.08 -1.22 -0.27 0.00 -0.60 0.00 0.00 56.93 54.92 2cry s PHE 36 Cb -0.17 -4.61 0.03 0.00 0.51 0.00 0.00 43.02 38.78 2cry s PHE 36 CO 0.11 -1.69 1.13 0.42 0.70 0.00 0.00 175.22 175.88 2cry s ILE 37 N 5.57 4.10 -0.25 0.64 1.01 -0.34 -3.28 121.20 128.65 2cry s ILE 37 Ca 0.57 0.68 -0.04 0.00 0.00 0.00 0.00 60.65 61.86 2cry s ILE 37 Cb 0.03 -4.69 -0.01 0.00 0.01 0.00 0.00 42.46 37.80 2cry s ILE 37 CO 0.09 -1.32 2.80 0.54 0.00 0.00 0.00 174.94 177.05 2cry n ARG 38 N 8.22 2.02 -2.81 2.79 1.74 0.39 -0.27 116.66 128.75 2cry n ARG 38 Ca 0.06 -1.55 -0.40 0.00 -0.77 0.00 0.00 57.85 55.18 2cry n ARG 38 Cb 0.49 -1.88 -0.05 0.00 -1.02 0.00 0.00 32.46 29.99 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 0.98 7.52 -0.29 0.55 0.01 -1.25 -4.30 113.70 116.92 2cry s SER 39 Ca 0.50 1.80 0.02 0.00 1.31 0.00 0.00 55.95 59.59 2cry s SER 39 Cb 0.30 -2.57 0.19 0.00 0.21 0.00 0.00 66.02 64.15 2cry s SER 39 CO -0.09 0.09 0.58 -0.89 0.41 0.00 0.00 173.24 173.34 2cry s THR 40 N -0.74 -0.97 1.02 1.44 2.01 -1.26 -3.84 115.64 113.29 2cry s THR 40 Ca 0.41 -0.02 -0.13 0.00 0.31 0.00 0.00 61.69 62.27 2cry s THR 40 Cb -0.24 -0.99 0.20 0.00 0.01 0.00 0.00 72.50 71.47 2cry s THR 40 CO 0.30 -0.02 1.09 -2.16 -0.69 0.00 0.00 174.62 173.14 2cry s PRO 41 N 2.82 0.29 0.76 4.92 0.04 -1.26 -3.20 135.00 139.37 2cry s PRO 41 Ca 0.15 0.48 -0.11 0.00 0.04 0.00 0.00 61.00 61.56 2cry s PRO 41 Cb -0.13 -1.72 0.05 0.00 0.04 0.00 0.00 34.50 32.74 2cry s PRO 41 CO -0.23 -2.82 1.09 -1.25 0.04 0.00 0.00 177.00 173.83 2cry s PRO 42 N -4.97 2.33 0.81 0.56 0.04 -1.25 -4.80 135.00 127.72 2cry s PRO 42 Ca 0.66 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.78 2cry s PRO 42 Cb -0.19 -1.90 0.08 0.00 0.04 0.00 0.00 34.50 32.53 2cry s PRO 42 CO 0.58 -1.59 1.09 -1.25 0.04 0.00 0.00 177.00 175.86 2cry s PRO 43 N -4.80 1.95 0.06 0.56 0.04 -1.26 -4.87 135.00 126.69 2cry s PRO 43 Ca 0.62 1.06 0.20 0.00 0.04 0.00 0.00 61.00 62.92 2cry s PRO 43 Cb -0.18 -1.87 -0.15 0.00 0.04 0.00 0.00 34.50 32.35 2cry s PRO 43 CO 0.54 -1.83 0.75 -0.25 0.04 0.00 0.00 177.00 176.25 2cry n ASP 44 N -3.63 0.57 -3.85 6.66 8.00 0.90 -4.94 116.55 120.25 2cry n ASP 44 Ca 0.08 0.24 -0.10 0.00 0.71 0.00 0.00 54.79 55.72 2cry n ASP 44 Cb 0.54 0.78 -0.08 0.00 -0.02 0.00 0.00 41.12 42.33 2cry n ASP 44 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2cry s ARG 45 N -3.18 0.70 -0.14 -1.24 3.52 -0.98 -5.02 118.95 112.61 2cry s ARG 45 Ca -0.04 -0.69 -0.16 0.00 -0.13 0.00 0.00 55.73 54.71 2cry s ARG 45 Cb 0.10 0.29 0.04 0.00 -1.56 0.00 0.00 34.95 33.82 2cry s ARG 45 CO 0.83 -0.20 0.44 0.42 -0.81 0.00 0.00 175.30 175.97 2cry s ILE 46 N -2.75 0.01 -0.02 4.11 1.01 -1.26 -1.14 121.20 121.16 2cry s ILE 46 Ca -0.04 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.57 2cry s ILE 46 Cb -0.00 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 41.83 2cry s ILE 46 CO -0.05 -0.04 -0.07 0.00 0.00 0.00 0.00 174.94 174.78 2cry s ALA 47 N -0.07 0.66 -0.58 9.38 0.00 -0.12 -4.49 121.76 126.55 2cry s ALA 47 Ca -0.03 -0.26 -0.07 0.00 0.00 0.00 0.00 51.96 51.61 2cry s ALA 47 Cb -0.03 -0.24 0.15 0.00 0.00 0.00 0.00 23.12 23.00 2cry s ALA 47 CO 0.02 0.12 0.43 -1.58 0.00 0.00 0.00 175.76 174.74 2cry s TRP 48 N 0.12 3.50 0.04 0.00 0.52 0.13 -1.53 118.94 121.72 2cry s TRP 48 Ca -0.01 -2.30 0.09 0.00 0.02 0.00 0.00 56.10 53.90 2cry s TRP 48 Cb -0.06 -3.39 -0.03 0.00 -1.15 0.00 0.00 33.47 28.83 2cry s TRP 48 CO -0.00 -0.93 -0.25 -1.54 0.02 0.00 0.00 176.95 174.25 2cry s SER 49 N 1.70 3.25 0.00 2.95 1.04 -0.85 -1.73 113.70 120.06 2cry s SER 49 Ca 0.12 -0.56 -0.01 0.00 0.48 0.00 0.00 55.95 55.98 2cry s SER 49 Cb -0.21 -0.33 -0.00 0.00 0.10 0.00 0.00 66.02 65.57 2cry s SER 49 CO -0.04 0.26 -0.02 -2.67 0.98 0.00 0.00 173.24 171.76 2cry n TRP 50 N 1.77 0.00 -0.01 5.02 2.14 -1.20 -1.28 117.44 123.89 2cry n TRP 50 Ca -0.17 0.00 -0.01 0.00 2.07 0.00 0.00 57.50 59.39 2cry n TRP 50 Cb 0.52 -0.02 -0.00 0.00 -0.81 0.00 0.00 31.31 30.99 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 -2.69 0.06 0.00 -2.67 4.76 -1.26 -4.76 118.16 111.61 2cry n LYS 51 Ca -0.01 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 2cry n LYS 51 Cb 0.02 -0.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.75 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 -2.82 2.50 -2.40 1.97 1.02 -1.26 -5.07 120.64 114.59 2cry n GLU 52 Ca -0.02 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.76 2cry n GLU 52 Cb 0.06 -0.82 -0.02 0.00 -0.02 0.00 0.00 31.44 30.64 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 -2.16 6.45 -0.21 1.62 0.01 -1.26 -5.04 114.94 114.35 2cry s ASN 53 Ca 0.00 2.18 -0.04 0.00 -0.71 0.00 0.00 52.86 54.28 2cry s ASN 53 Cb 0.00 -2.59 0.08 0.00 0.41 0.00 0.00 41.25 39.14 2cry s ASN 53 CO 0.00 -0.71 0.12 -0.69 -1.51 0.00 0.00 177.10 174.31 2cry s VAL 54 N -1.61 -0.12 -0.43 1.60 1.01 -1.26 -3.21 120.40 116.38 2cry s VAL 54 Ca 0.61 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 62.12 2cry s VAL 54 Cb -0.25 -0.71 0.06 0.00 0.00 0.00 0.00 36.38 35.47 2cry s VAL 54 CO 0.31 -0.41 0.32 -0.22 0.00 0.00 0.00 175.10 175.10 2cry s LEU 55 N 2.16 5.29 -0.04 3.92 2.96 -0.71 -4.88 118.68 127.37 2cry s LEU 55 Ca 0.05 -1.24 -0.22 0.00 -0.22 0.00 0.00 54.13 52.50 2cry s LEU 55 Cb -0.16 -2.11 -0.28 0.00 0.50 0.00 0.00 46.19 44.14 2cry s LEU 55 CO -0.18 -0.55 0.94 -0.33 -1.32 0.00 0.00 176.35 174.92 2cry h GLU 56 N 8.61 0.29 -1.51 1.98 5.08 -1.87 0.41 114.58 127.55 2cry h GLU 56 Ca -0.26 -0.42 0.09 0.00 -1.00 0.00 0.00 59.36 57.76 2cry h GLU 56 Cb 1.10 0.15 -0.25 0.00 0.50 0.00 0.00 28.75 30.25 2cry h GLU 56 CO 0.79 1.16 0.56 -1.54 -1.00 0.00 0.00 179.01 178.98 2cry s SER 57 N -6.79 -0.36 0.00 1.42 1.04 -1.26 -4.62 113.70 103.12 2cry s SER 57 Ca -0.14 0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.83 2cry s SER 57 Cb 0.01 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2cry s SER 57 CO 0.81 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.41 2cry n GLY 58 N 1.37 -0.70 2.97 7.32 0.00 -1.25 -4.95 105.19 109.94 2cry n GLY 58 Ca -0.11 -2.04 -0.28 0.00 0.00 0.00 0.00 46.02 43.59 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 1.30 -0.19 2.61 2.01 -1.26 -2.20 115.64 117.91 2cry s THR 59 Ca 0.00 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.54 2cry s THR 59 Cb 0.00 -1.25 0.04 0.00 0.01 0.00 0.00 72.50 71.30 2cry s THR 59 CO 0.00 0.41 -0.09 -0.55 -0.69 0.00 0.00 174.62 173.70 2cry s SER 60 N 1.51 3.25 0.65 3.53 0.15 -0.62 -4.96 113.70 117.21 2cry s SER 60 Ca 0.03 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 55.85 2cry s SER 60 Cb -0.13 -1.14 0.00 0.00 -1.71 0.00 0.00 66.02 63.04 2cry s SER 60 CO -0.08 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2cry n GLY 61 N 4.74 0.38 2.42 9.45 0.00 -1.26 -1.92 105.19 119.00 2cry n GLY 61 Ca -0.14 0.62 -0.19 0.00 0.00 0.00 0.00 46.02 46.31 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 2.84 -3.83 1.61 1.74 -1.26 -4.97 116.66 112.78 2cry n ARG 62 Ca 0.00 -4.04 -0.12 0.00 -0.77 0.00 0.00 57.85 52.93 2cry n ARG 62 Cb 0.00 -1.99 -0.09 0.00 -1.02 0.00 0.00 32.46 29.36 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 -3.53 -0.03 -0.25 -1.55 2.02 -0.81 -2.59 117.35 110.63 2cry s TYR 63 Ca 0.42 -0.03 -0.02 0.00 -0.37 0.00 0.00 57.07 57.07 2cry s TYR 63 Cb 0.40 0.00 0.14 0.00 -0.40 0.00 0.00 41.96 42.10 2cry s TYR 63 CO -0.06 -0.34 0.39 0.99 -1.57 0.00 0.00 175.55 174.96 2cry s THR 64 N -1.55 -0.62 0.02 -0.71 2.01 -0.40 -1.60 115.64 112.79 2cry s THR 64 Ca -0.13 -0.08 -0.18 0.00 0.31 0.00 0.00 61.69 61.61 2cry s THR 64 Cb -0.06 -0.83 -0.06 0.00 0.01 0.00 0.00 72.50 71.57 2cry s THR 64 CO 0.02 -0.12 0.52 -0.69 -0.69 0.00 0.00 174.62 173.65 2cry s VAL 65 N 2.56 4.90 -0.22 3.82 1.01 -0.94 -1.55 120.40 129.98 2cry s VAL 65 Ca 0.13 1.08 -0.04 0.00 0.00 0.00 0.00 61.98 63.16 2cry s VAL 65 Cb -0.15 -3.84 0.12 0.00 0.00 0.00 0.00 36.38 32.50 2cry s VAL 65 CO -0.17 0.51 0.35 -1.61 0.00 0.00 0.00 175.10 174.19 2cry s GLU 66 N -0.75 0.30 0.16 2.72 2.02 -0.27 -3.97 118.70 118.92 2cry s GLU 66 Ca 0.27 0.56 -0.06 0.00 0.02 0.00 0.00 54.97 55.77 2cry s GLU 66 Cb -0.18 -0.46 -0.06 0.00 0.10 0.00 0.00 34.13 33.53 2cry s GLU 66 CO 0.16 -0.57 0.42 0.99 0.02 0.00 0.00 175.26 176.29 2cry s THR 67 N 2.51 5.10 0.16 3.63 2.01 -1.26 -0.86 115.64 126.94 2cry s THR 67 Ca 0.09 0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.25 2cry s THR 67 Cb -0.15 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 2cry s THR 67 CO -0.14 0.01 0.02 -0.63 -0.69 0.00 0.00 174.62 173.19 2cry s ILE 68 N -1.70 0.50 -0.23 1.82 1.01 0.90 -4.95 121.20 118.55 2cry s ILE 68 Ca 0.43 -1.96 -0.04 0.00 0.00 0.00 0.00 60.65 59.08 2cry s ILE 68 Cb -0.12 -2.10 -0.00 0.00 0.01 0.00 0.00 42.46 40.25 2cry s ILE 68 CO 0.24 -0.47 -0.03 -0.94 0.00 0.00 0.00 174.94 173.73 2cry s SER 69 N -3.14 4.39 0.48 3.58 1.04 -1.26 -1.14 113.70 117.64 2cry s SER 69 Ca 0.24 -0.50 0.06 0.00 0.48 0.00 0.00 55.95 56.23 2cry s SER 69 Cb 0.07 -1.74 -0.00 0.00 0.10 0.00 0.00 66.02 64.44 2cry s SER 69 CO 0.03 -0.06 0.31 0.42 0.98 0.00 0.00 173.24 174.93 2cry s THR 70 N 1.46 2.03 0.08 2.02 -4.23 0.09 -4.95 115.64 112.14 2cry s THR 70 Ca 0.05 -1.55 0.31 0.00 -1.18 0.00 0.00 61.69 59.31 2cry s THR 70 Cb -0.15 -2.58 0.35 0.00 1.34 0.00 0.00 72.50 71.46 2cry s THR 70 CO -0.03 0.00 1.93 1.05 -0.54 0.00 0.00 174.62 177.03 2cry h GLU 71 N 1.04 0.00 0.00 3.99 9.09 -1.99 -2.73 114.58 123.98 2cry h GLU 71 Ca -0.40 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.01 2cry h GLU 71 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 2cry h GLU 71 CO 0.62 0.06 -1.32 -0.85 0.05 0.00 0.00 179.01 177.57 2cry n GLU 72 N -3.17 0.44 0.00 1.06 0.28 -1.26 -5.05 120.64 112.93 2cry n GLU 72 Ca 0.01 -0.04 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 2cry n GLU 72 Cb 0.35 -1.61 0.00 0.00 1.43 0.00 0.00 31.44 31.61 2cry n GLU 72 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2cry n GLY 73 N 1.31 -0.94 3.37 -1.84 0.00 -1.03 -4.39 105.19 101.67 2cry n GLY 73 Ca -0.00 0.34 -0.10 0.00 0.00 0.00 0.00 46.02 46.26 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 0.05 -0.08 1.61 -7.23 0.63 -0.73 120.40 114.65 2cry s VAL 74 Ca 0.00 -1.46 -0.03 0.00 -1.81 0.00 0.00 61.98 58.67 2cry s VAL 74 Cb 0.00 -1.98 0.05 0.00 0.56 0.00 0.00 36.38 35.01 2cry s VAL 74 CO 0.00 -0.21 0.15 -0.63 -0.31 0.00 0.00 175.10 174.10 2cry s ILE 75 N -4.00 -0.24 -0.59 -0.62 1.01 -0.30 -1.20 121.20 115.26 2cry s ILE 75 Ca 0.21 0.35 -0.13 0.00 0.00 0.00 0.00 60.65 61.08 2cry s ILE 75 Cb 0.03 -0.28 0.15 0.00 0.01 0.00 0.00 42.46 42.37 2cry s ILE 75 CO 0.03 0.15 0.51 -0.55 0.00 0.00 0.00 174.94 175.08 2cry s SER 76 N 2.23 6.11 -0.03 3.58 0.15 -1.13 -0.07 113.70 124.54 2cry s SER 76 Ca 0.03 -2.12 -0.22 0.00 0.70 0.00 0.00 55.95 54.34 2cry s SER 76 Cb -0.12 -2.12 -0.05 0.00 -1.71 0.00 0.00 66.02 62.02 2cry s SER 76 CO -0.06 -0.71 0.65 -0.89 1.20 0.00 0.00 173.24 173.44 2cry s THR 77 N 1.07 4.96 -0.29 6.45 2.01 -0.04 -2.90 115.64 126.90 2cry s THR 77 Ca 0.08 1.35 0.03 0.00 0.31 0.00 0.00 61.69 63.47 2cry s THR 77 Cb -0.23 -3.99 0.07 0.00 0.01 0.00 0.00 72.50 68.36 2cry s THR 77 CO -0.01 0.34 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.98 2cry s LEU 78 N 0.29 3.89 -0.08 4.42 2.96 -0.90 -1.11 118.68 128.16 2cry s LEU 78 Ca 0.34 -1.65 -0.20 0.00 -0.22 0.00 0.00 54.13 52.40 2cry s LEU 78 Cb -0.18 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 2cry s LEU 78 CO 0.18 -0.25 0.57 -0.89 -1.32 0.00 0.00 176.35 174.63 2cry s THR 79 N 1.04 5.09 -0.30 3.68 2.01 -0.59 -2.11 115.64 124.46 2cry s THR 79 Ca -0.02 1.16 -0.03 0.00 0.31 0.00 0.00 61.69 63.10 2cry s THR 79 Cb -0.20 -3.91 0.04 0.00 0.01 0.00 0.00 72.50 68.44 2cry s THR 79 CO -0.06 0.33 0.02 -0.63 -0.69 0.00 0.00 174.62 173.59 2cry s ILE 80 N 0.49 3.27 0.38 1.82 1.01 -0.97 -1.28 121.20 125.93 2cry s ILE 80 Ca 0.31 -1.15 -0.26 0.00 0.00 0.00 0.00 60.65 59.54 2cry s ILE 80 Cb -0.17 -2.80 -0.09 0.00 0.01 0.00 0.00 42.46 39.42 2cry s ILE 80 CO 0.14 -0.03 1.18 -0.44 0.00 0.00 0.00 174.94 175.80 2cry s SER 81 N 1.34 6.59 -1.14 3.58 0.01 -1.07 -2.94 113.70 120.07 2cry s SER 81 Ca -0.02 2.39 -0.13 0.00 1.31 0.00 0.00 55.95 59.50 2cry s SER 81 Cb -0.19 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.44 2cry s SER 81 CO -0.01 -0.63 0.24 0.59 0.41 0.00 0.00 173.24 173.84 2cry n ASN 82 N 0.23 -0.98 -4.48 2.44 5.03 -1.26 -4.77 115.26 111.46 2cry n ASN 82 Ca 0.03 -1.05 -0.39 0.00 0.87 0.00 0.00 54.58 54.05 2cry n ASN 82 Cb 0.46 -1.28 0.03 0.00 -1.02 0.00 0.00 39.78 37.97 2cry n ASN 82 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2cry n ILE 83 N -4.08 2.25 -4.47 2.41 3.06 -1.23 -5.00 119.36 112.30 2cry n ILE 83 Ca -0.19 -0.50 -0.25 0.00 -2.50 0.00 0.00 62.75 59.31 2cry n ILE 83 Cb 0.52 -0.71 -0.13 0.00 0.54 0.00 0.00 39.64 39.86 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 -1.65 1.76 0.27 9.51 -7.23 -1.26 -5.01 120.40 116.79 2cry s VAL 84 Ca 0.68 -1.41 0.13 0.00 -1.81 0.00 0.00 61.98 59.57 2cry s VAL 84 Cb -0.48 -1.56 0.28 0.00 0.56 0.00 0.00 36.38 35.18 2cry s VAL 84 CO 0.55 0.08 1.21 0.54 -0.31 0.00 0.00 175.10 177.17 2cry n ARG 85 N 1.42 -0.05 -0.21 4.82 1.74 -1.26 0.13 116.66 123.26 2cry n ARG 85 Ca -0.18 1.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.98 2cry n ARG 85 Cb 0.53 -1.89 0.08 0.00 -1.02 0.00 0.00 32.46 30.17 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 1.53 0.52 -1.31 7.54 0.00 -2.00 0.11 119.26 125.66 2cry h ALA 86 Ca 0.61 0.22 0.46 0.00 0.00 0.00 0.00 54.91 56.20 2cry h ALA 86 Cb 1.56 0.40 -0.14 0.00 0.00 0.00 0.00 17.79 19.61 2cry h ALA 86 CO -0.62 -0.42 0.82 -0.44 0.00 0.00 0.00 179.25 178.60 2cry h ASP 87 N 0.05 0.23 -0.11 0.00 5.19 0.79 0.92 116.42 123.50 2cry h ASP 87 Ca 0.31 0.17 -0.08 0.00 -0.62 0.00 0.00 57.03 56.81 2cry h ASP 87 Cb 0.50 0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.18 2cry h ASP 87 CO -0.59 -0.27 -0.26 -0.26 -3.12 0.00 0.00 179.24 174.74 2cry h PHE 88 N 0.03 0.47 -0.41 4.55 0.04 -0.89 -3.22 116.94 117.51 2cry h PHE 88 Ca 0.86 -0.18 -0.06 0.00 2.80 0.00 0.00 57.97 61.39 2cry h PHE 88 Cb 2.67 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 40.72 2cry h PHE 88 CO -0.01 0.88 0.00 1.96 -0.60 0.00 0.00 178.31 180.54 2cry h GLN 89 N -0.07 0.67 -6.81 1.51 1.08 0.77 -3.39 115.11 108.86 2cry h GLN 89 Ca -0.00 -0.16 -0.50 0.00 -1.45 0.00 0.00 58.65 56.53 2cry h GLN 89 Cb 0.87 -0.09 0.01 0.00 -0.05 0.00 0.00 27.48 28.23 2cry h GLN 89 CO 0.06 0.68 0.46 0.99 -0.95 0.00 0.00 178.83 180.07 2cry s THR 90 N -4.98 3.53 -0.17 -0.54 2.01 0.75 -5.02 115.64 111.22 2cry s THR 90 Ca -0.09 1.52 -0.17 0.00 0.31 0.00 0.00 61.69 63.27 2cry s THR 90 Cb 0.15 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 2cry s THR 90 CO 0.79 0.35 0.43 -0.63 -0.69 0.00 0.00 174.62 174.87 2cry s ILE 91 N -1.19 5.19 0.18 1.82 1.09 -1.26 -4.59 121.20 122.43 2cry s ILE 91 Ca 0.45 0.80 -0.08 0.00 -1.10 0.00 0.00 60.65 60.72 2cry s ILE 91 Cb -0.31 -3.76 -0.06 0.00 -1.06 0.00 0.00 42.46 37.26 2cry s ILE 91 CO 0.40 0.27 0.47 -0.31 -0.10 0.00 0.00 174.94 175.67 2cry s TYR 92 N 1.10 3.46 -0.10 3.97 2.02 0.66 -4.21 117.35 124.26 2cry s TYR 92 Ca 0.22 0.75 -0.04 0.00 -0.37 0.00 0.00 57.07 57.62 2cry s TYR 92 Cb -0.15 -2.16 0.05 0.00 -0.40 0.00 0.00 41.96 39.30 2cry s TYR 92 CO 0.08 0.36 0.22 -0.80 -1.57 0.00 0.00 175.55 173.84 2cry s ASN 93 N -2.31 0.07 -0.35 2.29 0.01 -0.40 -0.62 114.94 113.64 2cry s ASN 93 Ca 0.43 0.47 -0.10 0.00 -0.71 0.00 0.00 52.86 52.96 2cry s ASN 93 Cb -0.12 0.42 0.02 0.00 0.41 0.00 0.00 41.25 41.98 2cry s ASN 93 CO 0.22 -0.19 0.17 0.00 -1.51 0.00 0.00 177.10 175.79 2cry s THR 95 N 1.55 4.69 0.37 0.00 2.01 -0.58 -2.99 115.64 120.68 2cry s THR 95 Ca 0.02 -0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.00 2cry s THR 95 Cb -0.18 -3.03 -0.07 0.00 0.01 0.00 0.00 72.50 69.22 2cry s THR 95 CO 0.06 0.57 -0.02 0.00 -0.69 0.00 0.00 174.62 174.53 2cry s ALA 96 N -0.56 2.93 -0.20 7.40 0.00 -0.71 -0.95 121.76 129.67 2cry s ALA 96 Ca 0.10 -2.17 -0.04 0.00 0.00 0.00 0.00 51.96 49.85 2cry s ALA 96 Cb -0.12 0.17 0.10 0.00 0.00 0.00 0.00 23.12 23.27 2cry s ALA 96 CO 0.02 -0.08 0.32 -1.58 0.00 0.00 0.00 175.76 174.44 2cry s TRP 97 N -2.78 -0.59 0.23 0.00 0.51 -0.29 -3.54 118.94 112.48 2cry s TRP 97 Ca 0.34 0.77 0.10 0.00 -2.12 0.00 0.00 56.10 55.19 2cry s TRP 97 Cb 0.07 -0.07 -0.05 0.00 -0.81 0.00 0.00 33.47 32.62 2cry s TRP 97 CO 0.17 -0.59 -0.18 1.21 -0.51 0.00 0.00 176.95 177.05 2cry s ASN 98 N 2.47 3.14 0.59 2.95 2.47 -0.35 -0.07 114.94 126.14 2cry s ASN 98 Ca 0.07 -0.99 0.30 0.00 0.42 0.00 0.00 52.86 52.66 2cry s ASN 98 Cb -0.14 -0.23 1.28 0.00 -1.45 0.00 0.00 41.25 40.71 2cry s ASN 98 CO -0.13 -0.03 1.63 0.28 -3.72 0.00 0.00 177.10 175.13 2cry h SER 99 N 2.57 0.00 0.04 -4.21 0.02 -1.94 -0.74 113.55 109.28 2cry h SER 99 Ca -0.40 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2cry h SER 99 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2cry h SER 99 CO 0.58 0.00 -0.02 -0.26 -1.14 0.00 0.00 176.83 176.00 2cry h PHE 100 N 0.00 -0.05 0.00 3.45 0.04 -1.95 -3.51 116.94 114.93 2cry h PHE 100 Ca 0.40 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.17 2cry h PHE 100 Cb 2.12 0.02 0.00 0.00 2.20 0.00 0.00 35.95 40.29 2cry h PHE 100 CO 0.00 0.06 0.00 0.41 -0.60 0.00 0.00 178.31 178.18 2cry n GLY 101 N 1.63 1.03 3.67 -1.45 0.00 -0.28 -4.91 105.19 104.87 2cry n GLY 101 Ca -0.02 0.41 0.01 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.06 0.04 1.61 1.04 -1.26 -1.21 113.70 115.86 2cry s SER 102 Ca 0.00 -0.18 -0.27 0.00 0.48 0.00 0.00 55.95 55.98 2cry s SER 102 Cb 0.00 0.20 0.07 0.00 0.10 0.00 0.00 66.02 66.38 2cry s SER 102 CO 0.00 -0.37 0.62 -1.81 0.98 0.00 0.00 173.24 172.66 2cry s ASP 103 N -3.06 -0.59 -0.01 7.02 1.11 -1.23 -4.68 116.67 115.23 2cry s ASP 103 Ca 0.15 0.38 -0.00 0.00 0.18 0.00 0.00 52.55 53.26 2cry s ASP 103 Cb 0.04 0.55 0.01 0.00 1.07 0.00 0.00 42.92 44.59 2cry s ASP 103 CO -0.03 -0.75 0.02 -0.89 1.18 0.00 0.00 175.17 174.71 2cry s THR 104 N -2.25 -0.02 -0.01 -1.27 2.01 -1.26 -1.73 115.64 111.10 2cry s THR 104 Ca -0.06 0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.09 2cry s THR 104 Cb -0.00 -0.05 -0.02 0.00 0.01 0.00 0.00 72.50 72.44 2cry s THR 104 CO 0.00 0.03 -0.20 -0.70 -0.69 0.00 0.00 174.62 173.07 2cry s GLU 105 N 0.43 1.61 -0.01 4.92 2.56 -1.16 -4.98 118.70 122.07 2cry s GLU 105 Ca -0.04 -0.72 -0.15 0.00 0.00 0.00 0.00 54.97 54.06 2cry s GLU 105 Cb -0.05 -1.56 -0.06 0.00 2.00 0.00 0.00 34.13 34.46 2cry s GLU 105 CO -0.01 0.43 0.43 0.42 -0.56 0.00 0.00 175.26 175.96 2cry s ILE 106 N -0.48 5.02 -0.03 -3.70 1.01 -1.26 -2.62 121.20 119.14 2cry s ILE 106 Ca 0.08 0.88 -0.02 0.00 0.00 0.00 0.00 60.65 61.59 2cry s ILE 106 Cb -0.08 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.68 2cry s ILE 106 CO -0.01 0.55 0.07 -0.63 0.00 0.00 0.00 174.94 174.92 2cry s ILE 107 N -0.91 -0.03 -0.29 2.92 1.09 0.21 -4.99 121.20 119.20 2cry s ILE 107 Ca 0.24 0.12 0.02 0.00 -1.10 0.00 0.00 60.65 59.93 2cry s ILE 107 Cb -0.17 -0.12 0.08 0.00 -1.06 0.00 0.00 42.46 41.19 2cry s ILE 107 CO 0.14 0.05 0.01 -0.13 -0.10 0.00 0.00 174.94 174.90 2cry s ARG 108 N 0.65 1.46 0.49 2.79 0.52 -1.26 -0.25 118.95 123.35 2cry s ARG 108 Ca -0.05 -1.38 -0.21 0.00 -0.52 0.00 0.00 55.73 53.56 2cry s ARG 108 Cb -0.07 -2.74 -0.07 0.00 0.52 0.00 0.00 34.95 32.59 2cry s ARG 108 CO -0.02 -0.80 1.09 -1.17 0.02 0.00 0.00 175.30 174.42 2cry s LEU 109 N 1.22 3.89 0.06 2.53 2.96 -1.26 -5.06 118.68 123.01 2cry s LEU 109 Ca 0.03 2.10 -0.03 0.00 -0.22 0.00 0.00 54.13 56.01 2cry s LEU 109 Cb -0.19 -4.45 -0.03 0.00 0.50 0.00 0.00 46.19 42.02 2cry s LEU 109 CO -0.11 -0.91 0.02 -0.54 -1.32 0.00 0.00 176.35 173.49 2cry s LYS 110 N -3.04 0.66 0.44 1.98 1.02 -1.26 -4.25 119.74 115.28 2cry s LYS 110 Ca 0.67 -1.16 -0.06 0.00 0.02 0.00 0.00 55.97 55.44 2cry s LYS 110 Cb -0.22 0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.28 2cry s LYS 110 CO 0.26 -0.14 0.74 -2.00 -0.92 0.00 0.00 175.35 173.29 2cry s GLU 111 N -3.90 3.60 -0.22 1.68 2.12 -1.26 -3.13 118.70 117.58 2cry s GLU 111 Ca 0.07 0.20 -0.41 0.00 0.36 0.00 0.00 54.97 55.19 2cry s GLU 111 Cb 0.07 -2.43 -0.19 0.00 0.26 0.00 0.00 34.13 31.85 2cry s GLU 111 CO -0.10 -0.10 1.24 0.94 -0.54 0.00 0.00 175.26 176.70 2cry n GLN 112 N -1.88 0.00 -0.01 4.30 7.27 -1.22 -4.52 117.38 121.32 2cry n GLN 112 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.08 2cry n GLN 112 Cb 0.55 -1.41 -0.00 0.00 2.41 0.00 0.00 30.24 31.79 2cry n GLN 112 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2cry n GLY 113 N 2.53 -2.32 3.01 1.69 0.00 -1.26 -4.87 105.19 103.97 2cry n GLY 113 Ca 0.24 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 2cry n GLY 113 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cry s SER 114 N -4.48 4.70 0.01 1.61 0.01 -1.26 -4.94 113.70 109.35 2cry s SER 114 Ca 0.00 -2.40 -0.06 0.00 1.31 0.00 0.00 55.95 54.80 2cry s SER 114 Cb 0.00 -1.65 -0.30 0.00 0.21 0.00 0.00 66.02 64.28 2cry s SER 114 CO 0.00 -0.35 0.89 1.05 0.41 0.00 0.00 173.24 175.24 2cry h GLU 115 N 7.33 0.32 0.32 12.44 4.11 -1.91 -3.37 114.58 133.83 2cry h GLU 115 Ca -0.06 -0.55 0.00 0.00 0.07 0.00 0.00 59.36 58.82 2cry h GLU 115 Cb 0.99 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 2cry h GLU 115 CO 0.58 1.22 -0.38 1.98 0.07 0.00 0.00 179.01 182.48 2cry h MET 116 N 0.09 -0.72 -2.08 1.06 4.05 -2.01 -3.45 114.93 111.86 2cry h MET 116 Ca -0.24 0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.16 2cry h MET 116 Cb 2.05 0.16 -0.19 0.00 -0.80 0.00 0.00 31.60 32.82 2cry h MET 116 CO 0.19 -0.48 0.14 0.45 0.23 0.00 0.00 176.91 177.44 2cry s SER 117 N -4.59 -0.64 0.69 1.39 0.15 -1.26 -5.17 113.70 104.28 2cry s SER 117 Ca -0.17 0.77 -0.13 0.00 0.70 0.00 0.00 55.95 57.12 2cry s SER 117 Cb 0.06 0.65 0.01 0.00 -1.71 0.00 0.00 66.02 65.03 2cry s SER 117 CO 0.63 -0.55 1.09 -0.83 1.20 0.00 0.00 173.24 174.79 2cry s GLY 118 N -0.98 1.97 -0.74 9.45 0.00 -1.26 -4.80 107.32 110.97 2cry s GLY 118 Ca -0.10 0.41 -0.26 0.00 0.00 0.00 0.00 44.72 44.77 2cry s GLY 118 CO 0.08 0.75 1.90 2.56 0.00 0.00 0.00 173.10 178.39 2cry s PRO 119 N -4.41 2.60 -0.17 2.90 0.04 -1.26 -4.96 135.00 129.74 2cry s PRO 119 Ca 0.64 0.22 -0.13 0.00 0.04 0.00 0.00 61.00 61.77 2cry s PRO 119 Cb -0.18 -4.68 -0.05 0.00 0.04 0.00 0.00 34.50 29.63 2cry s PRO 119 CO 0.46 -3.01 0.26 -1.54 0.04 0.00 0.00 177.00 173.22 2cry s SER 120 N 8.07 6.39 -0.23 6.66 1.04 -1.26 -4.98 113.70 129.39 2cry s SER 120 Ca 0.68 0.46 -0.11 0.00 0.48 0.00 0.00 55.95 57.46 2cry s SER 120 Cb -0.10 -2.16 -0.18 0.00 0.10 0.00 0.00 66.02 63.68 2cry s SER 120 CO 0.12 0.12 -0.04 -0.24 0.98 0.00 0.00 173.24 174.17 2cry n SER 121 N 3.54 1.97 -0.83 7.02 2.88 -1.26 -5.29 113.62 121.64 2cry n SER 121 Ca -0.13 0.24 0.10 0.00 -1.33 0.00 0.00 58.87 57.76 2cry n SER 121 Cb 0.52 -0.78 0.09 0.00 -0.75 0.00 0.00 64.21 63.28 2cry n SER 121 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42