#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cry n SER 2 N 0.00 -1.11 -3.78 1.61 3.41 -1.26 -4.83 113.62 107.66 2cry n SER 2 Ca 0.00 -1.08 -0.22 0.00 -0.26 0.00 0.00 58.87 57.31 2cry n SER 2 Cb 0.00 -1.37 0.14 0.00 -0.26 0.00 0.00 64.21 62.71 2cry n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2cry n SER 3 N -2.09 -2.82 -4.98 4.04 3.41 -1.26 -5.01 113.62 104.91 2cry n SER 3 Ca 0.03 -0.28 -0.21 0.00 -0.26 0.00 0.00 58.87 58.15 2cry n SER 3 Cb 0.43 -0.77 0.02 0.00 -0.26 0.00 0.00 64.21 63.63 2cry n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cry s GLY 4 N -1.82 1.96 -0.26 5.00 0.00 -1.26 -5.12 107.32 105.82 2cry s GLY 4 Ca 0.38 -1.84 -0.02 0.00 0.00 0.00 0.00 44.72 43.25 2cry s GLY 4 CO 0.41 -1.71 0.37 -1.35 0.00 0.00 0.00 173.10 170.83 2cry s SER 5 N -4.45 0.43 -0.04 1.64 1.04 -1.26 -5.14 113.70 105.92 2cry s SER 5 Ca 0.53 -0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.97 2cry s SER 5 Cb -0.05 1.04 0.02 0.00 0.10 0.00 0.00 66.02 67.12 2cry s SER 5 CO 0.33 -0.32 -0.07 -0.55 0.98 0.00 0.00 173.24 173.61 2cry s SER 6 N 2.52 1.10 0.00 7.02 0.15 -1.26 -5.13 113.70 118.10 2cry s SER 6 Ca 0.12 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.60 2cry s SER 6 Cb -0.15 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.69 2cry s SER 6 CO -0.20 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2cry n GLY 7 N 3.81 1.60 3.06 9.45 0.00 -1.26 -5.18 105.19 116.66 2cry n GLY 7 Ca -0.23 -0.95 -0.18 0.00 0.00 0.00 0.00 46.02 44.66 2cry n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cry n THR 8 N 0.00 0.00 -2.81 2.61 -2.24 -1.26 -5.08 114.28 105.50 2cry n THR 8 Ca 0.00 -1.62 -0.42 0.00 -2.27 0.00 0.00 64.05 59.74 2cry n THR 8 Cb 0.00 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 67.80 2cry n THR 8 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2cry s LEU 9 N 0.00 4.20 -0.11 3.22 1.02 -1.26 -5.02 118.68 120.73 2cry s LEU 9 Ca 0.37 1.31 -0.30 0.00 0.02 0.00 0.00 54.13 55.54 2cry s LEU 9 Cb -0.03 -3.36 0.09 0.00 0.02 0.00 0.00 46.19 42.91 2cry s LEU 9 CO 0.24 -0.42 0.80 0.28 0.02 0.00 0.00 176.35 177.27 2cry s THR 10 N 2.11 0.00 0.04 5.49 -1.32 -1.26 -5.18 115.64 115.52 2cry s THR 10 Ca 0.42 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.92 2cry s THR 10 Cb -0.17 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.80 2cry s THR 10 CO 0.14 0.00 -0.08 0.68 -2.21 0.00 0.00 174.62 173.15 2cry s VAL 11 N -1.01 0.57 0.15 5.08 -7.23 -1.26 -5.16 120.40 111.54 2cry s VAL 11 Ca -0.07 -0.98 -0.10 0.00 -1.81 0.00 0.00 61.98 59.02 2cry s VAL 11 Cb -0.01 -0.61 -0.00 0.00 0.56 0.00 0.00 36.38 36.32 2cry s VAL 11 CO 0.06 -0.30 0.29 0.54 -0.31 0.00 0.00 175.10 175.38 2cry s ASN 12 N -1.40 0.02 0.00 4.85 4.22 -1.26 -4.66 114.94 116.72 2cry s ASN 12 Ca -0.08 -0.78 0.00 0.00 -2.14 0.00 0.00 52.86 49.87 2cry s ASN 12 Cb -0.09 0.43 0.00 0.00 1.28 0.00 0.00 41.25 42.87 2cry s ASN 12 CO 0.00 -0.87 0.00 0.61 -2.04 0.00 0.00 177.10 174.80 2cry n GLY 13 N -0.20 0.39 3.69 0.45 0.00 -1.23 -5.02 105.19 103.28 2cry n GLY 13 Ca -0.09 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 43.88 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 0.67 0.13 1.61 0.04 -1.26 -4.54 135.00 129.75 2cry s PRO 14 Ca 0.00 0.61 -0.31 0.00 0.04 0.00 0.00 61.00 61.34 2cry s PRO 14 Cb 0.00 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.70 2cry s PRO 14 CO 0.00 -2.59 1.35 -1.25 0.04 0.00 0.00 177.00 174.54 2cry s PRO 15 N -4.95 4.35 -0.54 0.56 0.04 -1.26 -4.65 135.00 128.54 2cry s PRO 15 Ca 0.65 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.70 2cry s PRO 15 Cb -0.18 -3.24 0.14 0.00 0.04 0.00 0.00 34.50 31.26 2cry s PRO 15 CO 0.57 -0.36 0.34 0.42 0.04 0.00 0.00 177.00 178.01 2cry s ILE 16 N 0.81 3.48 -0.80 0.56 1.01 -1.26 -4.39 121.20 120.61 2cry s ILE 16 Ca 0.62 -2.67 -0.25 0.00 0.00 0.00 0.00 60.65 58.35 2cry s ILE 16 Cb -0.36 -3.32 -0.06 0.00 0.01 0.00 0.00 42.46 38.73 2cry s ILE 16 CO 0.32 -0.81 2.07 -0.63 0.00 0.00 0.00 174.94 175.90 2cry s ILE 17 N 0.35 3.30 0.00 2.92 1.01 -1.26 -1.32 121.20 126.20 2cry s ILE 17 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.63 2cry s ILE 17 Cb -0.21 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.55 2cry s ILE 17 CO -0.04 -0.67 0.83 -0.24 0.00 0.00 0.00 174.94 174.83 2cry n SER 18 N 14.94 0.00 -3.62 3.58 2.88 0.87 -4.94 113.62 127.33 2cry n SER 18 Ca 0.38 0.83 -0.00 0.00 -1.33 0.00 0.00 58.87 58.75 2cry n SER 18 Cb 0.48 -0.33 0.01 0.00 -0.75 0.00 0.00 64.21 63.61 2cry n SER 18 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cry s SER 19 N -2.44 -0.04 0.40 -3.46 1.04 -1.24 -4.97 113.70 102.99 2cry s SER 19 Ca 0.00 -0.36 0.08 0.00 0.48 0.00 0.00 55.95 56.14 2cry s SER 19 Cb 0.00 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 2cry s SER 19 CO 0.00 -0.60 0.24 0.42 0.98 0.00 0.00 173.24 174.28 2cry s THR 20 N -2.34 2.61 -0.67 2.02 -4.23 -1.26 0.13 115.64 111.89 2cry s THR 20 Ca 0.21 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 2cry s THR 20 Cb 0.00 -3.00 0.39 0.00 1.34 0.00 0.00 72.50 71.23 2cry s THR 20 CO 0.01 -0.04 1.72 1.67 -0.54 0.00 0.00 174.62 177.43 2cry n GLN 21 N -1.32 2.99 -1.07 3.99 0.00 0.12 -4.95 117.38 117.13 2cry n GLN 21 Ca -0.00 -3.80 -0.36 0.00 -0.00 0.00 0.00 57.00 52.84 2cry n GLN 21 Cb 0.63 -2.27 0.06 0.00 0.00 0.00 0.00 30.24 28.66 2cry n GLN 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2cry n THR 22 N -0.59 0.46 -3.83 1.69 -2.24 -1.26 -4.60 114.28 103.91 2cry n THR 22 Ca 0.50 -0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 61.79 2cry n THR 22 Cb 0.46 -0.31 0.01 0.00 -2.10 0.00 0.00 70.33 68.39 2cry n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cry s GLN 23 N -2.34 2.15 -0.76 -0.78 1.03 -1.26 -5.08 119.66 112.62 2cry s GLN 23 Ca 0.53 -1.38 -0.26 0.00 0.04 0.00 0.00 55.36 54.29 2cry s GLN 23 Cb -0.29 0.62 0.02 0.00 0.03 0.00 0.00 33.01 33.39 2cry s GLN 23 CO 0.70 -1.00 1.42 -1.01 -2.54 0.00 0.00 175.29 172.86 2cry s HIS 24 N -2.62 2.20 -0.18 9.60 3.76 -1.26 -4.70 115.29 122.08 2cry s HIS 24 Ca 0.15 0.01 -0.22 0.00 -0.15 0.00 0.00 55.06 54.86 2cry s HIS 24 Cb -0.05 -4.53 -0.02 0.00 1.11 0.00 0.00 32.58 29.08 2cry s HIS 24 CO 0.11 -2.09 0.66 0.00 -0.85 0.00 0.00 174.74 172.57 2cry s ALA 25 N 6.32 3.53 0.02 -1.40 0.00 -1.26 -4.86 121.76 124.11 2cry s ALA 25 Ca 0.43 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.19 2cry s ALA 25 Cb -0.08 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 2cry s ALA 25 CO 0.12 -0.53 0.09 -0.51 0.00 0.00 0.00 175.76 174.94 2cry s LEU 26 N 1.85 3.92 0.55 0.00 2.01 -1.26 -4.68 118.68 121.06 2cry s LEU 26 Ca 0.31 0.12 0.31 0.00 0.01 0.00 0.00 54.13 54.87 2cry s LEU 26 Cb -0.16 -2.39 1.05 0.00 0.01 0.00 0.00 46.19 44.70 2cry s LEU 26 CO 0.11 0.24 1.27 1.57 1.01 0.00 0.00 176.35 180.54 2cry n HIS 27 N 0.91 0.00 0.00 0.29 -0.00 -1.26 -2.24 115.22 112.92 2cry n HIS 27 Ca -0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.07 2cry n HIS 27 Cb 0.52 -0.30 0.00 0.00 -0.12 0.00 0.00 29.99 30.09 2cry n HIS 27 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2cry n GLY 28 N -1.71 1.62 3.11 1.57 0.00 -1.26 -4.30 105.19 104.22 2cry n GLY 28 Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 2cry n GLY 28 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2cry n GLU 29 N -0.54 -0.76 -3.55 1.61 0.28 -0.95 -4.80 120.64 111.93 2cry n GLU 29 Ca 0.00 -0.21 -0.38 0.00 -0.16 0.00 0.00 57.16 56.41 2cry n GLU 29 Cb 0.00 -1.31 -0.10 0.00 1.43 0.00 0.00 31.44 31.46 2cry n GLU 29 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2cry s LYS 30 N -2.65 4.02 -0.80 3.44 1.02 -1.26 -4.54 119.74 118.97 2cry s LYS 30 Ca 0.44 -0.18 -0.26 0.00 0.02 0.00 0.00 55.97 55.99 2cry s LYS 30 Cb 0.01 -3.61 -0.11 0.00 -0.52 0.00 0.00 37.83 33.60 2cry s LYS 30 CO 0.64 -0.11 2.26 0.20 -0.92 0.00 0.00 175.35 177.43 2cry s GLY 31 N 1.44 -0.50 -0.09 -3.33 0.00 -1.16 -4.59 107.32 99.09 2cry s GLY 31 Ca 0.10 -0.96 -0.14 0.00 0.00 0.00 0.00 44.72 43.72 2cry s GLY 31 CO 0.08 4.00 0.34 1.62 0.00 0.00 0.00 173.10 179.14 2cry s GLN 32 N 8.28 4.02 -0.35 2.90 0.74 -1.26 -2.53 119.66 131.47 2cry s GLN 32 Ca 0.86 0.23 0.01 0.00 0.05 0.00 0.00 55.36 56.51 2cry s GLN 32 Cb -0.11 -3.32 0.11 0.00 1.10 0.00 0.00 33.01 30.79 2cry s GLN 32 CO 0.07 0.48 0.12 0.42 -0.55 0.00 0.00 175.29 175.82 2cry s ILE 33 N -0.31 1.42 -0.29 -2.34 1.01 -0.91 -4.67 121.20 115.11 2cry s ILE 33 Ca 0.20 -1.94 -0.25 0.00 0.00 0.00 0.00 60.65 58.66 2cry s ILE 33 Cb -0.14 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.28 2cry s ILE 33 CO 0.08 -0.70 0.88 -0.75 0.00 0.00 0.00 174.94 174.45 2cry s LYS 34 N 1.13 4.05 0.23 2.79 2.20 -1.26 -2.45 119.74 126.42 2cry s LYS 34 Ca 0.12 0.82 -0.06 0.00 -0.36 0.00 0.00 55.97 56.49 2cry s LYS 34 Cb -0.19 -3.71 -0.06 0.00 -1.51 0.00 0.00 37.83 32.36 2cry s LYS 34 CO -0.15 -0.69 0.49 0.00 -0.36 0.00 0.00 175.35 174.64 2cry s PHE 36 N -1.87 3.85 -0.69 0.00 0.40 0.34 -3.44 117.98 116.57 2cry s PHE 36 Ca 0.44 -3.03 -0.26 0.00 -0.60 0.00 0.00 56.93 53.48 2cry s PHE 36 Cb -0.11 -3.21 0.04 0.00 0.51 0.00 0.00 43.02 40.24 2cry s PHE 36 CO 0.26 -0.73 1.19 0.42 0.70 0.00 0.00 175.22 177.05 2cry s ILE 37 N -1.28 3.91 -0.28 0.64 1.01 -0.87 -0.09 121.20 124.24 2cry s ILE 37 Ca 0.27 0.33 -0.04 0.00 0.00 0.00 0.00 60.65 61.21 2cry s ILE 37 Cb -0.08 -4.83 -0.01 0.00 0.01 0.00 0.00 42.46 37.55 2cry s ILE 37 CO -0.12 -1.67 2.86 0.54 0.00 0.00 0.00 174.94 176.55 2cry n ARG 38 N 8.83 2.12 -3.27 2.79 1.74 -0.44 -1.50 116.66 126.93 2cry n ARG 38 Ca 0.02 -1.71 -0.33 0.00 -0.77 0.00 0.00 57.85 55.06 2cry n ARG 38 Cb 0.48 -1.96 -0.06 0.00 -1.02 0.00 0.00 32.46 29.91 2cry n ARG 38 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2cry s SER 39 N 0.89 6.77 -0.30 0.55 0.15 -1.26 -4.22 113.70 116.28 2cry s SER 39 Ca 0.54 1.13 0.01 0.00 0.70 0.00 0.00 55.95 58.33 2cry s SER 39 Cb 0.32 -2.31 0.19 0.00 -1.71 0.00 0.00 66.02 62.52 2cry s SER 39 CO -0.11 -0.07 0.63 -0.89 1.20 0.00 0.00 173.24 174.00 2cry s THR 40 N -1.77 -0.94 1.01 6.45 2.01 -1.26 -3.91 115.64 117.22 2cry s THR 40 Ca 0.47 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.35 2cry s THR 40 Cb -0.12 -0.97 0.19 0.00 0.01 0.00 0.00 72.50 71.61 2cry s THR 40 CO 0.19 0.00 1.09 -2.16 -0.69 0.00 0.00 174.62 173.06 2cry s PRO 41 N 2.85 0.36 0.85 4.92 0.04 -1.26 -3.48 135.00 139.28 2cry s PRO 41 Ca 0.15 0.50 -0.11 0.00 0.04 0.00 0.00 61.00 61.58 2cry s PRO 41 Cb -0.12 -1.73 0.10 0.00 0.04 0.00 0.00 34.50 32.79 2cry s PRO 41 CO -0.23 -2.78 1.09 -1.25 0.04 0.00 0.00 177.00 173.87 2cry s PRO 42 N -4.96 1.60 0.75 0.56 0.04 -1.25 -4.81 135.00 126.93 2cry s PRO 42 Ca 0.65 0.94 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 2cry s PRO 42 Cb -0.19 -1.84 0.05 0.00 0.04 0.00 0.00 34.50 32.56 2cry s PRO 42 CO 0.58 -2.04 1.10 -1.25 0.04 0.00 0.00 177.00 175.43 2cry s PRO 43 N -4.93 2.33 -0.03 0.56 0.04 -1.26 -4.92 135.00 126.80 2cry s PRO 43 Ca 0.63 1.21 0.20 0.00 0.04 0.00 0.00 61.00 63.08 2cry s PRO 43 Cb -0.18 -1.90 -0.30 0.00 0.04 0.00 0.00 34.50 32.16 2cry s PRO 43 CO 0.57 -1.59 0.45 -0.25 0.04 0.00 0.00 177.00 176.22 2cry n ASP 44 N -3.34 0.54 -3.90 6.66 8.00 -0.77 -4.96 116.55 118.79 2cry n ASP 44 Ca 0.09 -0.06 -0.11 0.00 0.71 0.00 0.00 54.79 55.43 2cry n ASP 44 Cb 0.53 1.84 -0.12 0.00 -0.02 0.00 0.00 41.12 43.35 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 -3.33 0.19 -0.10 -1.24 6.06 -0.59 -5.00 118.95 114.95 2cry s ARG 45 Ca -0.06 -0.20 -0.12 0.00 -2.50 0.00 0.00 55.73 52.85 2cry s ARG 45 Cb 0.13 0.07 0.03 0.00 0.06 0.00 0.00 34.95 35.24 2cry s ARG 45 CO 0.81 -0.03 0.31 0.42 -2.50 0.00 0.00 175.30 174.31 2cry s ILE 46 N -0.61 0.01 -0.01 4.11 1.01 -1.26 0.65 121.20 125.11 2cry s ILE 46 Ca -0.07 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.49 2cry s ILE 46 Cb -0.04 -0.48 -0.00 0.00 0.01 0.00 0.00 42.46 41.94 2cry s ILE 46 CO -0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 174.94 174.81 2cry s ALA 47 N -0.17 0.61 -0.66 9.38 0.00 0.72 -4.50 121.76 127.14 2cry s ALA 47 Ca -0.03 -0.29 -0.10 0.00 0.00 0.00 0.00 51.96 51.54 2cry s ALA 47 Cb -0.03 -0.17 0.17 0.00 0.00 0.00 0.00 23.12 23.09 2cry s ALA 47 CO 0.01 0.14 0.55 -1.58 0.00 0.00 0.00 175.76 174.88 2cry s TRP 48 N -0.09 3.54 -0.07 0.00 0.52 0.16 -1.69 118.94 121.31 2cry s TRP 48 Ca 0.02 -2.11 0.03 0.00 0.02 0.00 0.00 56.10 54.07 2cry s TRP 48 Cb -0.04 -3.57 -0.02 0.00 -1.15 0.00 0.00 33.47 28.70 2cry s TRP 48 CO -0.00 -0.95 -0.17 -1.54 0.02 0.00 0.00 176.95 174.31 2cry s SER 49 N 2.00 3.77 -0.01 2.95 1.04 -0.84 -0.29 113.70 122.32 2cry s SER 49 Ca 0.13 -0.31 -0.02 0.00 0.48 0.00 0.00 55.95 56.23 2cry s SER 49 Cb -0.19 -1.01 -0.01 0.00 0.10 0.00 0.00 66.02 64.92 2cry s SER 49 CO -0.04 0.28 -0.04 -2.67 0.98 0.00 0.00 173.24 171.75 2cry n TRP 50 N 2.76 0.00 0.00 5.02 2.14 -1.24 -1.27 117.44 124.85 2cry n TRP 50 Ca -0.17 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.40 2cry n TRP 50 Cb 0.52 -0.05 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 -4.71 118.16 111.48 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 -0.23 0.00 0.00 -1.84 0.00 0.00 35.03 33.01 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 -2.33 2.14 -1.68 1.97 4.71 -1.26 -5.07 120.64 119.11 2cry n GLU 52 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.86 2cry n GLU 52 Cb 0.00 -0.86 0.12 0.00 -1.01 0.00 0.00 31.44 29.69 2cry n GLU 52 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 2cry s ASN 53 N -1.80 3.89 -0.26 1.62 0.01 -1.26 -5.09 114.94 112.04 2cry s ASN 53 Ca 0.00 0.89 -0.10 0.00 -0.71 0.00 0.00 52.86 52.94 2cry s ASN 53 Cb 0.00 -1.43 0.11 0.00 0.41 0.00 0.00 41.25 40.34 2cry s ASN 53 CO 0.00 -2.30 0.58 -0.69 -1.51 0.00 0.00 177.10 173.18 2cry s VAL 54 N -3.40 -0.72 -0.30 1.60 1.01 -1.26 -3.67 120.40 113.66 2cry s VAL 54 Ca 0.63 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.65 2cry s VAL 54 Cb -0.13 -0.89 0.06 0.00 0.00 0.00 0.00 36.38 35.41 2cry s VAL 54 CO 0.52 0.02 -0.00 -0.22 0.00 0.00 0.00 175.10 175.41 2cry s LEU 55 N 2.57 3.99 -0.09 3.92 0.20 0.60 -4.87 118.68 125.01 2cry s LEU 55 Ca -0.06 -1.43 -0.17 0.00 0.69 0.00 0.00 54.13 53.16 2cry s LEU 55 Cb -0.11 -1.68 -0.28 0.00 -0.43 0.00 0.00 46.19 43.69 2cry s LEU 55 CO -0.17 -0.28 0.64 -0.33 -0.29 0.00 0.00 176.35 175.92 2cry h GLU 56 N 7.92 0.27 -1.54 1.98 5.08 -1.86 0.45 114.58 126.88 2cry h GLU 56 Ca -0.19 -0.46 0.09 0.00 -1.00 0.00 0.00 59.36 57.80 2cry h GLU 56 Cb 1.05 0.17 -0.27 0.00 0.50 0.00 0.00 28.75 30.20 2cry h GLU 56 CO 0.53 1.22 0.47 -1.54 -1.00 0.00 0.00 179.01 178.70 2cry s SER 57 N -7.05 -0.43 0.00 1.42 1.04 -1.26 -4.74 113.70 102.68 2cry s SER 57 Ca -0.18 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2cry s SER 57 Cb 0.04 0.89 0.00 0.00 0.10 0.00 0.00 66.02 67.05 2cry s SER 57 CO 0.79 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.48 2cry n GLY 58 N 2.53 -0.08 3.16 7.32 0.00 -1.26 -4.96 105.19 111.90 2cry n GLY 58 Ca -0.14 -2.27 -0.36 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 3.31 0.02 2.61 2.01 -1.26 -2.56 115.64 119.77 2cry s THR 59 Ca 0.00 -1.73 0.02 0.00 0.31 0.00 0.00 61.69 60.30 2cry s THR 59 Cb 0.00 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 2cry s THR 59 CO 0.00 -0.46 -0.07 -0.55 -0.69 0.00 0.00 174.62 172.85 2cry s SER 60 N 1.63 0.84 -1.67 3.53 0.15 -0.23 -4.83 113.70 113.12 2cry s SER 60 Ca 0.03 -0.31 -0.17 0.00 0.70 0.00 0.00 55.95 56.20 2cry s SER 60 Cb -0.22 -0.04 0.14 0.00 -1.71 0.00 0.00 66.02 64.20 2cry s SER 60 CO -0.02 -0.04 0.75 0.61 1.20 0.00 0.00 173.24 175.74 2cry n GLY 61 N 2.26 -0.42 2.57 9.45 0.00 -1.26 0.72 105.19 118.52 2cry n GLY 61 Ca -0.17 0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.40 -2.72 -3.91 1.61 1.74 -1.26 -4.99 116.66 102.74 2cry n ARG 62 Ca 0.03 0.86 -0.26 0.00 -0.77 0.00 0.00 57.85 57.71 2cry n ARG 62 Cb 0.51 -5.44 -0.17 0.00 -1.02 0.00 0.00 32.46 26.34 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 -3.00 1.40 -0.38 -1.55 2.02 0.22 -3.30 117.35 112.76 2cry s TYR 63 Ca 0.12 -0.68 -0.04 0.00 -0.37 0.00 0.00 57.07 56.10 2cry s TYR 63 Cb -0.05 -1.18 0.09 0.00 -0.40 0.00 0.00 41.96 40.41 2cry s TYR 63 CO 0.14 -0.49 0.15 0.99 -1.57 0.00 0.00 175.55 174.78 2cry s THR 64 N 1.70 3.35 0.16 -0.71 2.01 0.32 -1.06 115.64 121.41 2cry s THR 64 Ca 0.04 -1.76 -0.26 0.00 0.31 0.00 0.00 61.69 60.02 2cry s THR 64 Cb -0.13 -3.15 -0.08 0.00 0.01 0.00 0.00 72.50 69.15 2cry s THR 64 CO -0.08 -0.49 0.81 -0.69 -0.69 0.00 0.00 174.62 173.48 2cry s VAL 65 N 1.22 4.36 -0.19 3.82 1.01 -1.06 -1.54 120.40 128.01 2cry s VAL 65 Ca 0.04 1.79 -0.09 0.00 0.00 0.00 0.00 61.98 63.72 2cry s VAL 65 Cb -0.22 -4.18 0.08 0.00 0.00 0.00 0.00 36.38 32.06 2cry s VAL 65 CO -0.02 0.49 0.44 -1.61 0.00 0.00 0.00 175.10 174.40 2cry s GLU 66 N -0.96 0.39 -0.02 2.72 2.02 0.06 -4.10 118.70 118.80 2cry s GLU 66 Ca 0.38 0.96 0.02 0.00 0.02 0.00 0.00 54.97 56.35 2cry s GLU 66 Cb -0.23 0.18 -0.03 0.00 0.10 0.00 0.00 34.13 34.15 2cry s GLU 66 CO 0.27 -0.20 -0.06 0.99 0.02 0.00 0.00 175.26 176.28 2cry s THR 67 N 2.03 3.72 0.20 3.63 2.01 -1.26 -0.27 115.64 125.70 2cry s THR 67 Ca -0.06 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.29 2cry s THR 67 Cb -0.10 -2.59 -0.05 0.00 0.01 0.00 0.00 72.50 69.77 2cry s THR 67 CO -0.13 0.45 0.00 -0.63 -0.69 0.00 0.00 174.62 173.62 2cry s ILE 68 N -0.95 0.82 -0.23 1.82 1.01 0.19 -4.97 121.20 118.89 2cry s ILE 68 Ca 0.16 -2.01 -0.04 0.00 0.00 0.00 0.00 60.65 58.76 2cry s ILE 68 Cb -0.11 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 2cry s ILE 68 CO 0.06 -0.40 -0.03 -0.94 0.00 0.00 0.00 174.94 173.63 2cry s SER 69 N -3.23 4.38 0.49 3.58 1.04 -1.26 -0.81 113.70 117.89 2cry s SER 69 Ca 0.26 -0.41 0.05 0.00 0.48 0.00 0.00 55.95 56.33 2cry s SER 69 Cb 0.06 -1.75 -0.01 0.00 0.10 0.00 0.00 66.02 64.42 2cry s SER 69 CO 0.06 -0.03 0.20 0.42 0.98 0.00 0.00 173.24 174.87 2cry s THR 70 N 1.48 1.68 0.24 2.02 -4.23 -0.20 -4.94 115.64 111.69 2cry s THR 70 Ca 0.05 -1.73 -0.05 0.00 -1.18 0.00 0.00 61.69 58.78 2cry s THR 70 Cb -0.14 -2.40 0.17 0.00 1.34 0.00 0.00 72.50 71.47 2cry s THR 70 CO -0.03 0.00 1.82 1.05 -0.54 0.00 0.00 174.62 176.92 2cry h GLU 71 N 1.16 1.11 0.00 3.99 4.11 -1.99 -1.57 114.58 121.39 2cry h GLU 71 Ca -0.41 -0.19 0.00 0.00 0.07 0.00 0.00 59.36 58.84 2cry h GLU 71 Cb 1.29 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2cry h GLU 71 CO 0.67 0.89 0.00 1.05 0.07 0.00 0.00 179.01 181.69 2cry h GLU 72 N 1.08 0.00 0.00 1.06 4.11 -1.96 -3.48 114.58 115.40 2cry h GLU 72 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.68 2cry h GLU 72 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2cry h GLU 72 CO -0.02 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.47 2cry n GLY 73 N 0.48 0.04 3.45 1.06 0.00 -0.59 -4.38 105.19 105.26 2cry n GLY 73 Ca 0.03 0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.15 1.61 -7.23 -0.56 -1.03 120.40 113.04 2cry s VAL 74 Ca 0.00 -1.62 -0.06 0.00 -1.81 0.00 0.00 61.98 58.49 2cry s VAL 74 Cb 0.00 -2.35 0.07 0.00 0.56 0.00 0.00 36.38 34.66 2cry s VAL 74 CO 0.00 0.00 0.32 -0.63 -0.31 0.00 0.00 175.10 174.48 2cry s ILE 75 N -3.96 -0.35 -0.43 -0.62 1.01 0.01 -2.05 121.20 114.80 2cry s ILE 75 Ca 0.29 0.21 -0.12 0.00 0.00 0.00 0.00 60.65 61.03 2cry s ILE 75 Cb 0.02 -0.51 0.07 0.00 0.01 0.00 0.00 42.46 42.05 2cry s ILE 75 CO 0.11 0.09 0.31 -0.55 0.00 0.00 0.00 174.94 174.89 2cry s SER 76 N 2.13 5.84 -0.12 3.58 0.15 -1.22 -0.64 113.70 123.43 2cry s SER 76 Ca -0.03 -1.38 -0.05 0.00 0.70 0.00 0.00 55.95 55.19 2cry s SER 76 Cb -0.11 -2.07 -0.04 0.00 -1.71 0.00 0.00 66.02 62.09 2cry s SER 76 CO -0.10 -0.56 0.08 -0.89 1.20 0.00 0.00 173.24 172.96 2cry s THR 77 N 1.52 4.95 -0.25 6.45 2.01 0.63 -1.58 115.64 129.38 2cry s THR 77 Ca 0.03 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.04 2cry s THR 77 Cb -0.23 -3.14 0.07 0.00 0.01 0.00 0.00 72.50 69.20 2cry s THR 77 CO 0.04 0.59 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.33 2cry s LEU 78 N -0.77 2.56 0.25 4.42 2.96 -1.03 -0.76 118.68 126.31 2cry s LEU 78 Ca 0.13 -1.27 -0.11 0.00 -0.22 0.00 0.00 54.13 52.66 2cry s LEU 78 Cb -0.12 -1.11 -0.08 0.00 0.50 0.00 0.00 46.19 45.38 2cry s LEU 78 CO 0.03 -0.28 0.59 -0.89 -1.32 0.00 0.00 176.35 174.48 2cry s THR 79 N 1.43 4.88 -0.31 3.68 2.01 -0.59 -2.15 115.64 124.59 2cry s THR 79 Ca -0.02 0.57 0.01 0.00 0.31 0.00 0.00 61.69 62.57 2cry s THR 79 Cb -0.18 -3.62 0.09 0.00 0.01 0.00 0.00 72.50 68.80 2cry s THR 79 CO -0.09 -0.08 0.06 -0.63 -0.69 0.00 0.00 174.62 173.19 2cry s ILE 80 N -1.84 1.52 0.00 1.82 1.01 -1.05 -0.52 121.20 122.14 2cry s ILE 80 Ca 0.48 -1.75 0.00 0.00 0.00 0.00 0.00 60.65 59.38 2cry s ILE 80 Cb -0.11 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.27 2cry s ILE 80 CO 0.20 -0.57 0.70 -1.20 0.00 0.00 0.00 174.94 174.08 2cry n SER 81 N 4.59 0.00 -4.05 3.58 7.64 -1.21 -2.98 113.62 121.19 2cry n SER 81 Ca -0.01 0.70 -0.34 0.00 1.01 0.00 0.00 58.87 60.23 2cry n SER 81 Cb 0.42 -0.23 -0.12 0.00 -1.01 0.00 0.00 64.21 63.27 2cry n SER 81 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2cry s ASN 82 N -2.90 4.94 0.46 6.43 0.01 -1.26 -4.48 114.94 118.13 2cry s ASN 82 Ca 0.00 -2.71 -0.21 0.00 -0.71 0.00 0.00 52.86 49.24 2cry s ASN 82 Cb 0.00 -1.77 -0.09 0.00 0.41 0.00 0.00 41.25 39.80 2cry s ASN 82 CO 0.00 -0.36 1.02 -0.51 -1.51 0.00 0.00 177.10 175.74 2cry s ILE 83 N 0.15 3.89 0.45 0.60 2.07 -1.25 -5.01 121.20 122.10 2cry s ILE 83 Ca 0.15 1.21 0.03 0.00 -1.41 0.00 0.00 60.65 60.63 2cry s ILE 83 Cb -0.22 -3.51 -0.01 0.00 0.13 0.00 0.00 42.46 38.85 2cry s ILE 83 CO -0.03 -0.22 0.10 1.33 -1.91 0.00 0.00 174.94 174.20 2cry n VAL 84 N -0.79 0.00 0.20 4.00 0.24 -1.26 -4.40 118.33 116.32 2cry n VAL 84 Ca 0.08 -2.40 0.04 0.00 -2.04 0.00 0.00 64.34 60.03 2cry n VAL 84 Cb 0.52 0.73 0.45 0.00 -1.47 0.00 0.00 33.84 34.08 2cry n VAL 84 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2cry h ARG 85 N 0.00 0.03 -0.23 7.34 3.08 -1.98 -2.33 114.38 120.29 2cry h ARG 85 Ca -0.36 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.63 2cry h ARG 85 Cb 1.24 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 2cry h ARG 85 CO 0.57 0.25 -0.10 0.00 -1.07 0.00 0.00 179.97 179.63 2cry h ALA 86 N 1.75 1.41 -0.28 0.04 0.00 -2.00 -2.32 119.26 117.86 2cry h ALA 86 Ca 0.00 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.76 2cry h ALA 86 Cb 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2cry h ALA 86 CO 0.03 0.41 0.20 -0.44 0.00 0.00 0.00 179.25 179.45 2cry h ASP 87 N 0.34 0.05 0.02 0.00 5.19 -1.76 0.48 116.42 120.75 2cry h ASP 87 Ca 0.07 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.29 2cry h ASP 87 Cb 0.39 -0.01 0.02 0.00 0.18 0.00 0.00 39.33 39.91 2cry h ASP 87 CO 0.02 0.03 -0.76 -0.26 -3.12 0.00 0.00 179.24 175.16 2cry h PHE 88 N 0.06 0.72 -0.33 4.55 0.04 -1.53 -3.28 116.94 117.18 2cry h PHE 88 Ca 0.13 -0.41 -0.09 0.00 2.80 0.00 0.00 57.97 60.40 2cry h PHE 88 Cb 0.45 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 2cry h PHE 88 CO -0.00 1.24 -0.18 1.96 -0.60 0.00 0.00 178.31 180.74 2cry h GLN 89 N 0.00 0.59 -6.61 1.51 1.08 -1.28 -3.38 115.11 107.03 2cry h GLN 89 Ca -0.10 -0.20 -0.52 0.00 -1.45 0.00 0.00 58.65 56.37 2cry h GLN 89 Cb 1.47 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 28.86 2cry h GLN 89 CO 0.15 0.74 0.55 0.99 -0.95 0.00 0.00 178.83 180.31 2cry s THR 90 N -4.65 3.72 -0.25 -0.54 2.01 0.08 -5.01 115.64 111.01 2cry s THR 90 Ca -0.08 1.38 -0.17 0.00 0.31 0.00 0.00 61.69 63.13 2cry s THR 90 Cb 0.14 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2cry s THR 90 CO 0.80 0.19 0.47 -0.63 -0.69 0.00 0.00 174.62 174.76 2cry s ILE 91 N 0.27 5.11 0.51 1.82 1.09 -1.26 -4.36 121.20 124.38 2cry s ILE 91 Ca 0.54 0.80 -0.10 0.00 -1.10 0.00 0.00 60.65 60.79 2cry s ILE 91 Cb -0.31 -3.79 -0.05 0.00 -1.06 0.00 0.00 42.46 37.24 2cry s ILE 91 CO 0.34 0.13 0.89 -0.31 -0.10 0.00 0.00 174.94 175.89 2cry s TYR 92 N 2.08 3.54 -0.23 3.97 2.02 0.13 -4.13 117.35 124.72 2cry s TYR 92 Ca 0.20 1.12 -0.09 0.00 -0.37 0.00 0.00 57.07 57.93 2cry s TYR 92 Cb -0.16 -2.54 0.10 0.00 -0.40 0.00 0.00 41.96 38.96 2cry s TYR 92 CO 0.09 -0.37 0.51 -0.80 -1.57 0.00 0.00 175.55 173.42 2cry s ASN 93 N -3.70 -0.62 -0.25 2.29 0.01 -0.40 -0.17 114.94 112.10 2cry s ASN 93 Ca 0.53 1.21 -0.12 0.00 -0.71 0.00 0.00 52.86 53.76 2cry s ASN 93 Cb -0.10 1.60 -0.05 0.00 0.41 0.00 0.00 41.25 43.11 2cry s ASN 93 CO 0.42 -0.22 0.24 0.00 -1.51 0.00 0.00 177.10 176.03 2cry s THR 95 N 1.52 2.09 0.43 0.00 2.01 -0.68 -2.77 115.64 118.25 2cry s THR 95 Ca 0.10 -0.99 0.07 0.00 0.31 0.00 0.00 61.69 61.18 2cry s THR 95 Cb -0.15 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 2cry s THR 95 CO 0.08 0.56 0.28 0.00 -0.69 0.00 0.00 174.62 174.84 2cry s ALA 96 N 0.51 3.88 -0.26 7.40 0.00 -1.02 -0.20 121.76 132.08 2cry s ALA 96 Ca -0.14 -1.88 -0.02 0.00 0.00 0.00 0.00 51.96 49.91 2cry s ALA 96 Cb -0.17 -0.64 0.15 0.00 0.00 0.00 0.00 23.12 22.46 2cry s ALA 96 CO 0.05 -0.22 0.43 -1.58 0.00 0.00 0.00 175.76 174.43 2cry s TRP 97 N -2.59 -1.00 0.39 0.00 0.51 0.21 -3.92 118.94 112.54 2cry s TRP 97 Ca 0.42 1.04 0.05 0.00 -2.12 0.00 0.00 56.10 55.49 2cry s TRP 97 Cb 0.01 0.15 -0.06 0.00 -0.81 0.00 0.00 33.47 32.76 2cry s TRP 97 CO 0.24 -0.75 0.04 1.21 -0.51 0.00 0.00 176.95 177.18 2cry s ASN 98 N 2.62 3.23 0.60 2.95 2.47 -0.41 -1.54 114.94 124.85 2cry s ASN 98 Ca 0.14 -1.45 0.39 0.00 0.42 0.00 0.00 52.86 52.36 2cry s ASN 98 Cb -0.15 -0.04 1.89 0.00 -1.45 0.00 0.00 41.25 41.49 2cry s ASN 98 CO -0.17 -0.62 2.16 -1.28 -3.72 0.00 0.00 177.10 173.47 2cry h SER 99 N 1.84 0.00 0.09 -4.21 0.87 -1.96 -2.80 113.55 107.38 2cry h SER 99 Ca -0.42 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 59.97 2cry h SER 99 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2cry h SER 99 CO 0.73 0.00 -0.87 -0.26 -0.53 0.00 0.00 176.83 175.90 2cry h PHE 100 N 0.00 0.33 0.00 2.24 -1.00 -1.95 -3.51 116.94 113.04 2cry h PHE 100 Ca 0.00 -0.24 0.00 0.00 2.81 0.00 0.00 57.97 60.54 2cry h PHE 100 Cb 0.24 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.79 2cry h PHE 100 CO 0.00 1.34 0.00 0.41 -1.61 0.00 0.00 178.31 178.45 2cry n GLY 101 N 1.65 -0.72 3.75 -1.45 0.00 -1.06 -4.62 105.19 102.74 2cry n GLY 101 Ca -0.18 0.24 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.00 -0.22 0.14 1.61 1.04 -1.26 -1.28 113.70 109.72 2cry s SER 102 Ca 0.00 -0.41 -0.24 0.00 0.48 0.00 0.00 55.95 55.78 2cry s SER 102 Cb 0.00 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.73 2cry s SER 102 CO 0.00 -0.98 0.69 -1.81 0.98 0.00 0.00 173.24 172.12 2cry s ASP 103 N -2.90 -0.48 -0.06 7.02 1.01 -1.25 -4.70 116.67 115.30 2cry s ASP 103 Ca 0.11 -0.07 -0.11 0.00 0.71 0.00 0.00 52.55 53.19 2cry s ASP 103 Cb -0.02 0.56 0.02 0.00 1.01 0.00 0.00 42.92 44.49 2cry s ASP 103 CO 0.02 -0.93 0.27 -0.89 0.21 0.00 0.00 175.17 173.85 2cry s THR 104 N -3.62 0.03 -0.01 -1.27 2.01 -1.26 -2.43 115.64 109.10 2cry s THR 104 Ca 0.03 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 61.83 2cry s THR 104 Cb -0.01 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 72.02 2cry s THR 104 CO -0.10 -0.13 -0.10 -0.70 -0.69 0.00 0.00 174.62 172.90 2cry s GLU 105 N -0.49 0.82 -0.25 4.92 2.56 -1.11 -4.99 118.70 120.15 2cry s GLU 105 Ca -0.06 -0.37 -0.18 0.00 0.00 0.00 0.00 54.97 54.36 2cry s GLU 105 Cb -0.04 -0.79 -0.03 0.00 2.00 0.00 0.00 34.13 35.28 2cry s GLU 105 CO 0.02 0.22 0.53 0.42 -0.56 0.00 0.00 175.26 175.88 2cry s ILE 106 N -0.25 5.06 -0.25 -3.70 1.01 -1.26 -2.71 121.20 119.10 2cry s ILE 106 Ca 0.04 0.93 0.01 0.00 0.00 0.00 0.00 60.65 61.62 2cry s ILE 106 Cb -0.04 -3.85 0.07 0.00 0.01 0.00 0.00 42.46 38.65 2cry s ILE 106 CO -0.00 0.09 -0.03 -0.63 0.00 0.00 0.00 174.94 174.37 2cry s ILE 107 N 2.24 1.49 -0.38 2.92 1.09 0.76 -5.00 121.20 124.31 2cry s ILE 107 Ca 0.22 -1.28 -0.11 0.00 -1.10 0.00 0.00 60.65 58.39 2cry s ILE 107 Cb -0.16 -1.81 0.03 0.00 -1.06 0.00 0.00 42.46 39.47 2cry s ILE 107 CO 0.09 -0.18 0.21 -0.60 -0.10 0.00 0.00 174.94 174.36 2cry s ARG 108 N 1.40 2.79 0.22 2.79 3.52 -1.26 0.20 118.95 128.61 2cry s ARG 108 Ca -0.03 -1.12 -0.30 0.00 -0.13 0.00 0.00 55.73 54.15 2cry s ARG 108 Cb -0.19 -3.74 -0.08 0.00 -1.56 0.00 0.00 34.95 29.38 2cry s ARG 108 CO -0.08 -0.73 1.16 -1.17 -0.81 0.00 0.00 175.30 173.67 2cry s LEU 109 N 1.54 4.48 0.19 -0.88 2.96 -1.26 -5.01 118.68 120.71 2cry s LEU 109 Ca 0.02 2.24 0.10 0.00 -0.22 0.00 0.00 54.13 56.26 2cry s LEU 109 Cb -0.20 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.84 2cry s LEU 109 CO 0.06 -0.29 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.07 2cry s LYS 110 N -0.67 1.40 0.75 1.98 1.02 -1.26 -4.19 119.74 118.77 2cry s LYS 110 Ca 0.50 -1.49 -0.11 0.00 0.02 0.00 0.00 55.97 54.88 2cry s LYS 110 Cb -0.32 -1.53 0.04 0.00 -0.52 0.00 0.00 37.83 35.49 2cry s LYS 110 CO 0.38 0.31 1.08 -2.00 -0.92 0.00 0.00 175.35 174.21 2cry s GLU 111 N -2.87 2.48 0.14 1.68 2.56 -1.26 -4.36 118.70 117.07 2cry s GLU 111 Ca 0.19 0.74 -0.27 0.00 0.00 0.00 0.00 54.97 55.64 2cry s GLU 111 Cb -0.06 -1.95 -0.06 0.00 2.00 0.00 0.00 34.13 34.05 2cry s GLU 111 CO 0.09 -1.37 1.43 0.94 -0.56 0.00 0.00 175.26 175.78 2cry n GLN 112 N -3.28 -0.38 0.00 4.30 -0.06 -1.26 -4.79 117.38 111.91 2cry n GLN 112 Ca 0.07 1.40 0.00 0.00 -2.00 0.00 0.00 57.00 56.47 2cry n GLN 112 Cb 0.55 -2.06 0.00 0.00 -4.06 0.00 0.00 30.24 24.67 2cry n GLN 112 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2cry n GLY 113 N -1.21 2.08 3.56 1.69 0.00 -1.26 -4.93 105.19 105.11 2cry n GLY 113 Ca 0.02 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 2cry n GLY 113 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cry s SER 114 N 0.00 5.98 -0.16 1.61 0.15 -1.26 -4.92 113.70 115.09 2cry s SER 114 Ca 0.00 -0.73 -0.15 0.00 0.70 0.00 0.00 55.95 55.77 2cry s SER 114 Cb 0.00 -2.56 0.04 0.00 -1.71 0.00 0.00 66.02 61.80 2cry s SER 114 CO 0.00 -1.95 0.43 -1.83 1.20 0.00 0.00 173.24 171.09 2cry s GLU 115 N 5.87 0.50 -1.63 5.44 -1.05 -1.26 -4.91 118.70 121.66 2cry s GLU 115 Ca 0.49 0.63 -0.15 0.00 -0.15 0.00 0.00 54.97 55.79 2cry s GLU 115 Cb -0.06 0.22 0.12 0.00 -0.44 0.00 0.00 34.13 33.97 2cry s GLU 115 CO 0.04 -0.07 0.76 -0.12 0.95 0.00 0.00 175.26 176.82 2cry n MET 116 N 2.99 -3.62 -0.04 -4.83 0.00 -1.26 -4.84 117.12 105.52 2cry n MET 116 Ca -0.14 0.42 -0.09 0.00 0.00 0.00 0.00 57.70 57.89 2cry n MET 116 Cb 0.57 -5.07 -0.03 0.00 0.00 0.00 0.00 33.22 28.68 2cry n MET 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2cry n SER 117 N -2.74 1.09 -4.74 6.12 2.88 -1.26 -5.05 113.62 109.92 2cry n SER 117 Ca 0.00 0.17 -0.30 0.00 -1.33 0.00 0.00 58.87 57.42 2cry n SER 117 Cb 0.53 -0.41 0.13 0.00 -0.75 0.00 0.00 64.21 63.70 2cry n SER 117 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cry s GLY 118 N -4.88 1.62 0.32 0.46 0.00 -1.26 -4.99 107.32 98.59 2cry s GLY 118 Ca -0.15 -0.07 -0.28 0.00 0.00 0.00 0.00 44.72 44.22 2cry s GLY 118 CO 0.20 0.40 1.22 2.56 0.00 0.00 0.00 173.10 177.48 2cry s PRO 119 N -4.97 4.41 -0.22 2.90 0.04 -1.26 -4.98 135.00 130.91 2cry s PRO 119 Ca 0.63 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 63.54 2cry s PRO 119 Cb -0.17 -3.06 -0.12 0.00 0.04 0.00 0.00 34.50 31.19 2cry s PRO 119 CO 0.56 -0.08 -0.18 0.45 0.04 0.00 0.00 177.00 177.79 2cry n SER 120 N 0.83 1.91 -4.69 6.66 2.88 -1.26 -5.01 113.62 114.94 2cry n SER 120 Ca 0.00 0.40 -0.23 0.00 -1.33 0.00 0.00 58.87 57.71 2cry n SER 120 Cb 0.43 -0.85 -0.07 0.00 -0.75 0.00 0.00 64.21 62.98 2cry n SER 120 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cry s SER 121 N -6.80 4.78 0.00 -3.46 0.01 -1.26 -5.30 113.70 101.67 2cry s SER 121 Ca -0.31 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.40 2cry s SER 121 Cb 0.09 -0.98 0.00 0.00 0.21 0.00 0.00 66.02 65.34 2cry s SER 121 CO 0.47 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.72