#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 -0.52 0.14 1.61 0.15 -1.26 -5.15 113.70 108.68 2cry s SER 2 Ca 0.00 1.06 -0.30 0.00 0.70 0.00 0.00 55.95 57.41 2cry s SER 2 Cb 0.00 1.18 -0.07 0.00 -1.71 0.00 0.00 66.02 65.42 2cry s SER 2 CO 0.00 -0.22 1.04 -0.44 1.20 0.00 0.00 173.24 174.83 2cry s SER 3 N 1.99 7.36 0.00 5.45 0.01 -1.26 -4.84 113.70 122.42 2cry s SER 3 Ca -0.06 1.95 0.00 0.00 1.31 0.00 0.00 55.95 59.15 2cry s SER 3 Cb -0.10 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2cry s SER 3 CO -0.14 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 173.96 2cry n GLY 4 N 2.20 -0.63 2.88 3.44 0.00 -1.26 -5.14 105.19 106.68 2cry n GLY 4 Ca 0.03 0.57 -0.20 0.00 0.00 0.00 0.00 46.02 46.42 2cry n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cry s SER 5 N -4.00 0.91 -0.32 1.61 0.15 -1.26 -5.11 113.70 105.67 2cry s SER 5 Ca 0.00 -0.12 0.03 0.00 0.70 0.00 0.00 55.95 56.56 2cry s SER 5 Cb 0.00 -0.43 0.09 0.00 -1.71 0.00 0.00 66.02 63.97 2cry s SER 5 CO 0.00 -0.06 0.02 -0.44 1.20 0.00 0.00 173.24 173.95 2cry s SER 6 N 0.94 4.72 0.00 5.45 0.01 -1.26 -5.04 113.70 118.53 2cry s SER 6 Ca -0.11 -1.91 0.00 0.00 1.31 0.00 0.00 55.95 55.24 2cry s SER 6 Cb -0.14 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.46 2cry s SER 6 CO -0.00 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.92 2cry n GLY 7 N 4.34 -1.09 3.38 3.44 0.00 -1.26 -5.07 105.19 108.93 2cry n GLY 7 Ca -0.02 -1.61 -0.19 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.67 1.13 -0.08 2.61 -4.23 -1.26 -5.16 115.64 105.98 2cry s THR 8 Ca 0.00 -2.03 -0.03 0.00 -1.18 0.00 0.00 61.69 58.45 2cry s THR 8 Cb 0.00 -2.52 0.04 0.00 1.34 0.00 0.00 72.50 71.36 2cry s THR 8 CO 0.00 -0.19 0.16 -0.76 -0.54 0.00 0.00 174.62 173.28 2cry s LEU 9 N -3.38 0.35 0.06 4.79 1.02 -1.26 -5.15 118.68 115.10 2cry s LEU 9 Ca 0.32 0.33 0.07 0.00 0.02 0.00 0.00 54.13 54.87 2cry s LEU 9 Cb 0.07 0.34 -0.03 0.00 0.02 0.00 0.00 46.19 46.58 2cry s LEU 9 CO 0.12 -0.19 -0.17 0.28 0.02 0.00 0.00 176.35 176.40 2cry s THR 10 N 1.68 2.87 0.06 5.49 -1.32 -1.26 -5.14 115.64 118.03 2cry s THR 10 Ca -0.04 -1.24 0.07 0.00 -1.21 0.00 0.00 61.69 59.27 2cry s THR 10 Cb -0.12 -2.24 -0.03 0.00 -1.51 0.00 0.00 72.50 68.60 2cry s THR 10 CO -0.06 0.27 -0.19 0.68 -2.21 0.00 0.00 174.62 173.11 2cry s VAL 11 N -0.99 1.55 -0.01 5.08 -7.23 -1.26 -5.15 120.40 112.39 2cry s VAL 11 Ca 0.16 -1.27 0.02 0.00 -1.81 0.00 0.00 61.98 59.08 2cry s VAL 11 Cb -0.11 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.45 2cry s VAL 11 CO 0.07 0.07 -0.06 0.20 -0.31 0.00 0.00 175.10 175.07 2cry s ASN 12 N -1.41 0.82 0.00 4.85 -0.87 -1.25 -4.56 114.94 112.51 2cry s ASN 12 Ca 0.06 -0.12 0.00 0.00 -1.57 0.00 0.00 52.86 51.22 2cry s ASN 12 Cb -0.09 -0.17 0.00 0.00 -0.02 0.00 0.00 41.25 40.97 2cry s ASN 12 CO 0.02 0.05 0.00 0.61 -2.57 0.00 0.00 177.10 175.21 2cry n GLY 13 N 3.18 -0.58 3.67 0.66 0.00 -1.18 -4.98 105.19 105.95 2cry n GLY 13 Ca -0.16 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 2cry n GLY 13 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cry s PRO 14 N -0.91 0.37 0.39 1.61 0.04 -1.26 -4.39 135.00 130.84 2cry s PRO 14 Ca 0.00 0.50 -0.26 0.00 0.04 0.00 0.00 61.00 61.29 2cry s PRO 14 Cb 0.00 -1.73 -0.09 0.00 0.04 0.00 0.00 34.50 32.72 2cry s PRO 14 CO 0.00 -2.77 1.19 -1.25 0.04 0.00 0.00 177.00 174.21 2cry s PRO 15 N -4.96 4.08 -0.62 0.56 0.04 -1.26 -4.59 135.00 128.25 2cry s PRO 15 Ca 0.65 1.90 0.04 0.00 0.04 0.00 0.00 61.00 63.64 2cry s PRO 15 Cb -0.19 -2.73 0.16 0.00 0.04 0.00 0.00 34.50 31.78 2cry s PRO 15 CO 0.58 -0.32 0.40 0.42 0.04 0.00 0.00 177.00 178.12 2cry s ILE 16 N -1.37 2.57 -0.38 0.56 1.01 -1.26 -4.56 121.20 117.77 2cry s ILE 16 Ca 0.56 -3.80 -0.27 0.00 0.00 0.00 0.00 60.65 57.14 2cry s ILE 16 Cb -0.32 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 2cry s ILE 16 CO 0.41 -0.95 2.14 -0.63 0.00 0.00 0.00 174.94 175.91 2cry s ILE 17 N -0.91 3.15 0.00 2.92 1.01 -1.26 -1.73 121.20 124.38 2cry s ILE 17 Ca 0.22 0.13 0.00 0.00 0.00 0.00 0.00 60.65 61.01 2cry s ILE 17 Cb -0.12 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.08 2cry s ILE 17 CO -0.11 -0.21 0.40 -0.24 0.00 0.00 0.00 174.94 174.78 2cry n SER 18 N 12.81 0.00 -3.71 3.58 2.88 0.17 -4.96 113.62 124.39 2cry n SER 18 Ca 0.29 0.48 0.02 0.00 -1.33 0.00 0.00 58.87 58.33 2cry n SER 18 Cb 0.49 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 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 -1.89 -0.02 0.41 -3.46 1.04 -1.24 -4.93 113.70 103.60 2cry s SER 19 Ca 0.00 -0.17 0.07 0.00 0.48 0.00 0.00 55.95 56.34 2cry s SER 19 Cb 0.00 0.15 -0.07 0.00 0.10 0.00 0.00 66.02 66.19 2cry s SER 19 CO 0.00 -0.28 0.05 0.42 0.98 0.00 0.00 173.24 174.40 2cry s THR 20 N -2.19 2.08 -0.76 2.02 -4.23 -1.26 0.13 115.64 111.44 2cry s THR 20 Ca 0.22 -1.94 -0.02 0.00 -1.18 0.00 0.00 61.69 58.77 2cry s THR 20 Cb 0.02 -2.99 0.40 0.00 1.34 0.00 0.00 72.50 71.27 2cry s THR 20 CO -0.02 -0.01 2.01 0.00 -0.54 0.00 0.00 174.62 176.06 2cry n GLN 21 N -1.02 2.74 -0.96 3.99 10.64 -1.11 -4.98 117.38 126.69 2cry n GLN 21 Ca -0.04 -3.44 -0.44 0.00 -1.83 0.00 0.00 57.00 51.24 2cry n GLN 21 Cb 0.66 -2.28 -0.09 0.00 -0.86 0.00 0.00 30.24 27.68 2cry n GLN 21 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 2cry n THR 22 N -0.71 0.00 -3.70 -0.39 -2.24 -1.26 -4.84 114.28 101.14 2cry n THR 22 Ca 0.58 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 62.05 2cry n THR 22 Cb 0.43 -0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.26 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 4.08 3.58 0.28 -0.78 1.03 -1.26 -4.95 119.66 121.63 2cry s GLN 23 Ca 0.86 -0.17 0.16 0.00 0.04 0.00 0.00 55.36 56.26 2cry s GLN 23 Cb -1.09 -2.86 1.01 0.00 0.03 0.00 0.00 33.01 30.10 2cry s GLN 23 CO 0.50 0.47 1.17 0.72 -2.54 0.00 0.00 175.29 175.60 2cry n HIS 24 N -0.02 0.84 -3.52 9.60 8.25 -1.26 -4.76 115.22 124.34 2cry n HIS 24 Ca -0.03 0.84 -0.19 0.00 -0.26 0.00 0.00 57.72 58.08 2cry n HIS 24 Cb 0.52 -1.27 0.06 0.00 1.12 0.00 0.00 29.99 30.43 2cry n HIS 24 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2cry n ALA 25 N -2.46 -2.12 -0.67 -1.41 0.00 -1.26 -3.27 120.51 109.32 2cry n ALA 25 Ca 0.28 -0.08 -0.32 0.00 0.00 0.00 0.00 53.44 53.32 2cry n ALA 25 Cb 0.98 -2.83 0.18 0.00 0.00 0.00 0.00 19.45 17.77 2cry n ALA 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2cry n LEU 26 N -4.05 -2.26 -4.61 0.00 4.32 -1.26 -4.80 117.00 104.33 2cry n LEU 26 Ca -0.25 -0.12 -0.43 0.00 -0.02 0.00 0.00 56.01 55.19 2cry n LEU 26 Cb 0.66 -0.97 -0.03 0.00 -1.62 0.00 0.00 43.42 41.47 2cry n LEU 26 CO 0.64 -3.09 1.43 -1.00 -1.22 0.00 0.00 177.39 174.15 2cry s HIS 27 N -2.24 1.99 0.00 -1.77 3.76 -1.26 -3.65 115.29 112.12 2cry s HIS 27 Ca 0.56 0.59 0.00 0.00 -0.15 0.00 0.00 55.06 56.06 2cry s HIS 27 Cb -0.12 -4.10 0.00 0.00 1.11 0.00 0.00 32.58 29.47 2cry s HIS 27 CO 0.66 -2.85 0.00 0.41 -0.85 0.00 0.00 174.74 172.11 2cry n GLY 28 N 5.09 2.36 3.23 -2.22 0.00 -1.26 -5.10 105.19 107.29 2cry n GLY 28 Ca 0.21 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 2cry n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cry n GLU 29 N 0.00 -1.50 -3.21 1.61 -0.58 -1.24 -4.42 120.64 111.30 2cry n GLU 29 Ca 0.00 -0.42 -0.39 0.00 -0.42 0.00 0.00 57.16 55.93 2cry n GLU 29 Cb 0.00 -1.61 -0.06 0.00 -0.57 0.00 0.00 31.44 29.20 2cry n GLU 29 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2cry s LYS 30 N -3.28 4.27 -1.01 3.49 1.02 -1.26 -4.13 119.74 118.84 2cry s LYS 30 Ca 0.53 0.52 -0.23 0.00 0.02 0.00 0.00 55.97 56.81 2cry s LYS 30 Cb -0.09 -3.51 -0.02 0.00 -0.52 0.00 0.00 37.83 33.69 2cry s LYS 30 CO 0.65 -0.05 1.81 0.20 -0.92 0.00 0.00 175.35 177.04 2cry s GLY 31 N 0.96 0.54 -0.07 -3.33 0.00 -1.01 -4.72 107.32 99.69 2cry s GLY 31 Ca 0.27 -1.90 -0.20 0.00 0.00 0.00 0.00 44.72 42.90 2cry s GLY 31 CO 0.11 3.26 0.56 1.62 0.00 0.00 0.00 173.10 178.65 2cry s GLN 32 N 6.24 4.34 -0.44 2.90 0.74 -1.25 -2.39 119.66 129.80 2cry s GLN 32 Ca 0.63 0.63 0.02 0.00 0.05 0.00 0.00 55.36 56.70 2cry s GLN 32 Cb -0.03 -3.40 0.13 0.00 1.10 0.00 0.00 33.01 30.80 2cry s GLN 32 CO 0.00 0.21 0.23 0.42 -0.55 0.00 0.00 175.29 175.60 2cry s ILE 33 N 0.38 1.55 -0.55 -2.34 1.01 -0.69 -4.36 121.20 116.19 2cry s ILE 33 Ca 0.30 -2.59 -0.27 0.00 0.00 0.00 0.00 60.65 58.10 2cry s ILE 33 Cb -0.17 -2.09 0.03 0.00 0.01 0.00 0.00 42.46 40.25 2cry s ILE 33 CO 0.14 -0.86 1.07 -0.75 0.00 0.00 0.00 174.94 174.54 2cry s LYS 34 N 0.35 3.46 0.33 2.79 2.20 -1.26 -2.65 119.74 124.96 2cry s LYS 34 Ca 0.17 0.08 -0.19 0.00 -0.36 0.00 0.00 55.97 55.66 2cry s LYS 34 Cb -0.24 -4.01 -0.09 0.00 -1.51 0.00 0.00 37.83 31.97 2cry s LYS 34 CO -0.01 -1.55 0.82 0.00 -0.36 0.00 0.00 175.35 174.26 2cry s PHE 36 N -1.86 4.07 -0.65 0.00 0.40 0.36 -3.58 117.98 116.72 2cry s PHE 36 Ca 0.53 -2.72 -0.25 0.00 -0.60 0.00 0.00 56.93 53.89 2cry s PHE 36 Cb -0.13 -3.63 0.05 0.00 0.51 0.00 0.00 43.02 39.82 2cry s PHE 36 CO 0.18 -0.88 1.07 0.42 0.70 0.00 0.00 175.22 176.71 2cry s ILE 37 N -1.09 4.13 -0.27 0.64 1.01 -0.73 0.44 121.20 125.34 2cry s ILE 37 Ca 0.28 0.11 -0.03 0.00 0.00 0.00 0.00 60.65 61.01 2cry s ILE 37 Cb -0.10 -4.73 0.05 0.00 0.01 0.00 0.00 42.46 37.70 2cry s ILE 37 CO -0.09 -1.49 2.53 0.54 0.00 0.00 0.00 174.94 176.42 2cry n ARG 38 N 8.21 1.92 -2.75 2.79 1.74 -0.70 -0.26 116.66 127.61 2cry n ARG 38 Ca 0.00 -1.51 -0.41 0.00 -0.77 0.00 0.00 57.85 55.17 2cry n ARG 38 Cb 0.47 -1.77 -0.05 0.00 -1.02 0.00 0.00 32.46 30.10 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 0.79 7.54 -0.28 0.55 0.15 -1.26 -4.30 113.70 116.89 2cry s SER 39 Ca 0.42 1.83 0.01 0.00 0.70 0.00 0.00 55.95 58.91 2cry s SER 39 Cb 0.27 -2.59 0.17 0.00 -1.71 0.00 0.00 66.02 62.15 2cry s SER 39 CO -0.07 0.01 0.47 -0.89 1.20 0.00 0.00 173.24 173.96 2cry s THR 40 N -0.38 -0.77 0.99 6.45 2.01 -1.26 -3.58 115.64 119.10 2cry s THR 40 Ca 0.45 -0.12 -0.12 0.00 0.31 0.00 0.00 61.69 62.21 2cry s THR 40 Cb -0.24 -0.94 0.18 0.00 0.01 0.00 0.00 72.50 71.51 2cry s THR 40 CO 0.30 -0.13 1.09 -2.16 -0.69 0.00 0.00 174.62 173.04 2cry s PRO 41 N 2.66 0.48 0.89 4.92 0.04 -1.26 -3.12 135.00 139.61 2cry s PRO 41 Ca 0.13 0.55 -0.11 0.00 0.04 0.00 0.00 61.00 61.60 2cry s PRO 41 Cb -0.13 -1.74 0.13 0.00 0.04 0.00 0.00 34.50 32.79 2cry s PRO 41 CO -0.23 -2.70 1.09 -1.25 0.04 0.00 0.00 177.00 173.95 2cry s PRO 42 N -4.96 1.31 0.60 0.56 0.04 -1.23 -4.77 135.00 126.54 2cry s PRO 42 Ca 0.65 0.84 -0.17 0.00 0.04 0.00 0.00 61.00 62.35 2cry s PRO 42 Cb -0.19 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 2cry s PRO 42 CO 0.58 -2.21 1.12 -1.25 0.04 0.00 0.00 177.00 175.28 2cry s PRO 43 N -4.93 3.10 0.32 0.56 0.04 -1.26 -4.84 135.00 127.98 2cry s PRO 43 Ca 0.63 1.51 0.20 0.00 0.04 0.00 0.00 61.00 63.38 2cry s PRO 43 Cb -0.18 -1.98 0.15 0.00 0.04 0.00 0.00 34.50 32.53 2cry s PRO 43 CO 0.57 -1.03 1.39 -0.44 0.04 0.00 0.00 177.00 177.53 2cry h ASP 44 N 0.67 0.00 -5.04 6.66 3.32 0.22 -3.47 116.42 118.78 2cry h ASP 44 Ca -0.49 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.46 2cry h ASP 44 Cb 1.26 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.63 2cry h ASP 44 CO 0.56 0.22 -0.26 -0.60 -1.72 0.00 0.00 179.24 177.43 2cry s ARG 45 N -3.13 0.77 -0.11 3.56 3.52 -0.92 -5.02 118.95 117.62 2cry s ARG 45 Ca 0.04 -0.44 -0.09 0.00 -0.13 0.00 0.00 55.73 55.11 2cry s ARG 45 Cb 0.07 0.33 0.03 0.00 -1.56 0.00 0.00 34.95 33.82 2cry s ARG 45 CO 0.73 -0.24 0.28 0.42 -0.81 0.00 0.00 175.30 175.68 2cry s ILE 46 N -2.27 -0.00 -0.02 4.11 1.01 -1.26 -0.98 121.20 121.79 2cry s ILE 46 Ca -0.07 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.61 2cry s ILE 46 Cb -0.02 -0.40 0.01 0.00 0.01 0.00 0.00 42.46 42.06 2cry s ILE 46 CO -0.02 0.01 -0.03 0.00 0.00 0.00 0.00 174.94 174.90 2cry s ALA 47 N 0.28 0.41 -0.47 9.38 0.00 -0.78 -4.56 121.76 126.03 2cry s ALA 47 Ca -0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 51.96 51.81 2cry s ALA 47 Cb -0.03 -0.23 0.12 0.00 0.00 0.00 0.00 23.12 22.98 2cry s ALA 47 CO -0.01 0.02 0.35 -1.58 0.00 0.00 0.00 175.76 174.54 2cry s TRP 48 N 0.45 3.41 0.04 0.00 0.52 0.59 -2.32 118.94 121.63 2cry s TRP 48 Ca -0.05 -1.81 0.09 0.00 0.02 0.00 0.00 56.10 54.35 2cry s TRP 48 Cb -0.08 -3.47 -0.03 0.00 -1.15 0.00 0.00 33.47 28.74 2cry s TRP 48 CO -0.01 -0.98 -0.25 -1.54 0.02 0.00 0.00 176.95 174.19 2cry s SER 49 N 2.68 3.01 0.00 2.95 1.04 -0.96 -1.17 113.70 121.26 2cry s SER 49 Ca 0.05 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.92 2cry s SER 49 Cb -0.26 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.59 2cry s SER 49 CO -0.00 0.24 0.00 -2.67 0.98 0.00 0.00 173.24 171.79 2cry n TRP 50 N 1.83 0.00 0.00 5.02 2.14 -1.23 -0.64 117.44 124.56 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 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.02 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 -2.46 0.00 0.00 -2.67 4.76 -1.26 -4.70 118.16 111.83 2cry n LYS 51 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2cry n LYS 51 Cb 0.00 -0.22 0.00 0.00 -1.84 0.00 0.00 35.03 32.97 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 -2.09 1.63 -1.68 1.97 1.02 -1.26 -5.07 120.64 115.16 2cry n GLU 52 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 2cry n GLU 52 Cb 0.00 -0.89 0.04 0.00 -0.02 0.00 0.00 31.44 30.57 2cry n GLU 52 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2cry s ASN 53 N -1.74 5.68 -0.20 1.62 0.01 -1.26 -5.08 114.94 113.98 2cry s ASN 53 Ca 0.00 1.54 -0.05 0.00 -0.71 0.00 0.00 52.86 53.64 2cry s ASN 53 Cb 0.00 -2.48 0.10 0.00 0.41 0.00 0.00 41.25 39.28 2cry s ASN 53 CO 0.00 -1.24 0.36 -0.69 -1.51 0.00 0.00 177.10 174.01 2cry s VAL 54 N -3.10 -0.56 -0.22 1.60 1.01 -1.26 -3.52 120.40 114.35 2cry s VAL 54 Ca 0.57 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.64 2cry s VAL 54 Cb -0.13 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.61 2cry s VAL 54 CO 0.55 0.00 -0.10 -0.22 0.00 0.00 0.00 175.10 175.33 2cry s LEU 55 N 2.53 2.82 -0.15 3.92 2.96 -0.31 -4.92 118.68 125.52 2cry s LEU 55 Ca 0.04 -0.72 -0.11 0.00 -0.22 0.00 0.00 54.13 53.12 2cry s LEU 55 Cb -0.13 -1.62 -0.07 0.00 0.50 0.00 0.00 46.19 44.87 2cry s LEU 55 CO -0.13 -0.07 -0.06 -0.33 -1.32 0.00 0.00 176.35 174.45 2cry h GLU 56 N 8.00 0.00 -2.28 1.98 5.08 -1.86 0.17 114.58 125.67 2cry h GLU 56 Ca -0.38 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.93 2cry h GLU 56 Cb 1.13 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.15 2cry h GLU 56 CO 0.59 0.23 -0.08 -1.54 -1.00 0.00 0.00 179.01 177.22 2cry s SER 57 N -5.96 -0.71 0.00 1.42 1.04 -1.26 -4.77 113.70 103.46 2cry s SER 57 Ca -0.16 1.23 0.00 0.00 0.48 0.00 0.00 55.95 57.50 2cry s SER 57 Cb 0.03 1.16 0.00 0.00 0.10 0.00 0.00 66.02 67.31 2cry s SER 57 CO 0.29 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.90 2cry n GLY 58 N 3.68 2.15 3.50 7.32 0.00 -1.24 -4.97 105.19 115.62 2cry n GLY 58 Ca -0.18 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.36 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 -2.24 4.97 0.00 2.61 2.01 -1.26 -3.67 115.64 118.07 2cry s THR 59 Ca 0.00 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 61.84 2cry s THR 59 Cb 0.00 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.39 2cry s THR 59 CO 0.00 -0.51 0.00 -1.20 -0.69 0.00 0.00 174.62 172.22 2cry n SER 60 N 5.89 0.00 -3.38 3.53 7.64 -1.15 -4.97 113.62 121.18 2cry n SER 60 Ca -0.05 0.09 -0.19 0.00 1.01 0.00 0.00 58.87 59.73 2cry n SER 60 Cb 0.47 -0.45 -0.08 0.00 -1.01 0.00 0.00 64.21 63.14 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 -2.63 0.11 -1.41 0.23 0.00 -1.26 -4.88 107.32 97.48 2cry s GLY 61 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.64 2cry s GLY 61 CO 0.00 2.63 0.00 0.54 0.00 0.00 0.00 173.10 176.27 2cry n ARG 62 N 4.27 -1.13 -3.57 2.90 5.12 -1.26 -4.98 116.66 118.01 2cry n ARG 62 Ca 0.10 0.85 -0.13 0.00 -1.93 0.00 0.00 57.85 56.74 2cry n ARG 62 Cb 0.44 -5.10 -0.12 0.00 -1.16 0.00 0.00 32.46 26.52 2cry n ARG 62 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2cry s TYR 63 N -2.67 -0.50 -0.35 -1.55 2.02 -1.26 -2.56 117.35 110.48 2cry s TYR 63 Ca 0.00 0.84 0.02 0.00 -0.37 0.00 0.00 57.07 57.56 2cry s TYR 63 Cb 0.00 -0.06 0.10 0.00 -0.40 0.00 0.00 41.96 41.60 2cry s TYR 63 CO 0.00 -0.49 0.08 0.99 -1.57 0.00 0.00 175.55 174.56 2cry s THR 64 N 2.44 2.55 0.17 -0.71 2.01 0.87 -2.91 115.64 120.06 2cry s THR 64 Ca 0.04 -2.22 -0.27 0.00 0.31 0.00 0.00 61.69 59.56 2cry s THR 64 Cb -0.13 -2.82 -0.08 0.00 0.01 0.00 0.00 72.50 69.48 2cry s THR 64 CO -0.11 -0.58 0.83 -0.69 -0.69 0.00 0.00 174.62 173.38 2cry s VAL 65 N 0.98 4.33 -0.12 3.82 1.01 -1.24 -1.12 120.40 128.06 2cry s VAL 65 Ca 0.09 1.83 -0.06 0.00 0.00 0.00 0.00 61.98 63.83 2cry s VAL 65 Cb -0.20 -4.20 0.05 0.00 0.00 0.00 0.00 36.38 32.03 2cry s VAL 65 CO -0.07 0.49 0.29 -1.61 0.00 0.00 0.00 175.10 174.20 2cry s GLU 66 N -0.98 0.24 0.03 2.72 2.02 0.46 -3.73 118.70 119.45 2cry s GLU 66 Ca 0.38 0.62 0.05 0.00 0.02 0.00 0.00 54.97 56.05 2cry s GLU 66 Cb -0.24 -0.08 -0.03 0.00 0.10 0.00 0.00 34.13 33.88 2cry s GLU 66 CO 0.28 -0.18 -0.12 0.99 0.02 0.00 0.00 175.26 176.25 2cry s THR 67 N 1.47 3.25 0.16 3.63 2.01 -1.26 0.51 115.64 125.42 2cry s THR 67 Ca -0.08 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 60.96 2cry s THR 67 Cb -0.10 -2.40 -0.05 0.00 0.01 0.00 0.00 72.50 69.96 2cry s THR 67 CO -0.10 0.35 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.55 2cry s ILE 68 N -0.98 0.66 -0.23 1.82 1.01 -0.49 -4.95 121.20 118.05 2cry s ILE 68 Ca 0.16 -1.97 -0.01 0.00 0.00 0.00 0.00 60.65 58.83 2cry s ILE 68 Cb -0.11 -2.06 0.02 0.00 0.01 0.00 0.00 42.46 40.32 2cry s ILE 68 CO 0.07 -0.52 -0.09 -0.44 0.00 0.00 0.00 174.94 173.96 2cry s SER 69 N -3.15 4.06 0.51 3.58 0.01 -1.26 -0.86 113.70 116.58 2cry s SER 69 Ca 0.22 -0.76 0.06 0.00 1.31 0.00 0.00 55.95 56.79 2cry s SER 69 Cb 0.06 -1.63 0.02 0.00 0.21 0.00 0.00 66.02 64.68 2cry s SER 69 CO 0.03 -0.08 0.38 0.42 0.41 0.00 0.00 173.24 174.39 2cry s THR 70 N 1.34 1.90 0.41 1.44 -4.23 0.13 -4.95 115.64 111.68 2cry s THR 70 Ca 0.02 -1.48 0.15 0.00 -1.18 0.00 0.00 61.69 59.19 2cry s THR 70 Cb -0.16 -2.39 0.16 0.00 1.34 0.00 0.00 72.50 71.46 2cry s THR 70 CO -0.06 0.00 1.94 1.05 -0.54 0.00 0.00 174.62 177.00 2cry h GLU 71 N 0.87 0.00 0.00 3.99 4.11 -1.99 -2.56 114.58 118.99 2cry h GLU 71 Ca -0.38 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 58.84 2cry h GLU 71 Cb 1.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 2cry h GLU 71 CO 0.58 0.25 -1.22 0.93 0.07 0.00 0.00 179.01 179.63 2cry h GLU 72 N 0.00 0.00 0.00 1.06 4.39 -1.95 -3.50 114.58 114.58 2cry h GLU 72 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2cry h GLU 72 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2cry h GLU 72 CO 0.03 0.63 0.00 0.41 -1.16 0.00 0.00 179.01 178.92 2cry n GLY 73 N 1.40 -0.98 3.21 -3.84 0.00 -0.96 -4.32 105.19 99.70 2cry n GLY 73 Ca -0.07 0.49 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 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 0.06 -0.21 1.61 -7.23 0.64 0.20 120.40 115.48 2cry s VAL 74 Ca 0.00 -1.84 -0.04 0.00 -1.81 0.00 0.00 61.98 58.29 2cry s VAL 74 Cb 0.00 -2.15 0.08 0.00 0.56 0.00 0.00 36.38 34.87 2cry s VAL 74 CO 0.00 -0.29 0.15 -0.63 -0.31 0.00 0.00 175.10 174.02 2cry s ILE 75 N -4.07 -0.18 -0.73 -0.62 1.01 -0.04 -1.78 121.20 114.79 2cry s ILE 75 Ca 0.27 -0.29 -0.19 0.00 0.00 0.00 0.00 60.65 60.45 2cry s ILE 75 Cb 0.06 -0.71 0.12 0.00 0.01 0.00 0.00 42.46 41.95 2cry s ILE 75 CO 0.05 -0.36 0.87 -0.55 0.00 0.00 0.00 174.94 174.95 2cry s SER 76 N 2.20 6.39 -0.05 3.58 0.15 -1.23 -1.39 113.70 123.35 2cry s SER 76 Ca 0.05 -1.74 -0.16 0.00 0.70 0.00 0.00 55.95 54.81 2cry s SER 76 Cb -0.16 -2.33 -0.05 0.00 -1.71 0.00 0.00 66.02 61.77 2cry s SER 76 CO -0.17 -1.07 0.43 -0.89 1.20 0.00 0.00 173.24 172.75 2cry s THR 77 N 2.50 5.09 -0.22 6.45 2.01 0.18 -2.86 115.64 128.79 2cry s THR 77 Ca 0.20 0.88 0.02 0.00 0.31 0.00 0.00 61.69 63.10 2cry s THR 77 Cb -0.16 -3.75 0.04 0.00 0.01 0.00 0.00 72.50 68.64 2cry s THR 77 CO 0.00 0.47 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.03 2cry s LEU 78 N -0.36 2.83 -0.23 4.42 2.96 -1.08 -0.40 118.68 126.82 2cry s LEU 78 Ca 0.24 -1.04 -0.13 0.00 -0.22 0.00 0.00 54.13 52.99 2cry s LEU 78 Cb -0.16 -1.52 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 2cry s LEU 78 CO 0.12 -0.10 0.26 -0.89 -1.32 0.00 0.00 176.35 174.42 2cry s THR 79 N 1.20 5.29 -0.25 3.68 2.01 -0.27 -1.71 115.64 125.58 2cry s THR 79 Ca -0.02 0.41 -0.09 0.00 0.31 0.00 0.00 61.69 62.30 2cry s THR 79 Cb -0.17 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 2cry s THR 79 CO -0.09 0.30 0.11 -0.63 -0.69 0.00 0.00 174.62 173.62 2cry s ILE 80 N 1.20 4.74 0.24 1.82 1.01 -1.00 -0.09 121.20 129.12 2cry s ILE 80 Ca 0.12 -0.03 -0.27 0.00 0.00 0.00 0.00 60.65 60.48 2cry s ILE 80 Cb -0.14 -3.22 -0.09 0.00 0.01 0.00 0.00 42.46 39.02 2cry s ILE 80 CO 0.06 0.33 0.88 -0.44 0.00 0.00 0.00 174.94 175.76 2cry s SER 81 N 1.48 7.44 -0.99 3.58 0.01 -1.06 -2.41 113.70 121.75 2cry s SER 81 Ca 0.06 1.79 -0.12 0.00 1.31 0.00 0.00 55.95 58.99 2cry s SER 81 Cb -0.15 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.54 2cry s SER 81 CO 0.06 0.11 0.22 0.59 0.41 0.00 0.00 173.24 174.62 2cry n ASN 82 N 1.21 -0.94 -4.49 2.44 3.02 -1.26 -4.75 115.26 110.49 2cry n ASN 82 Ca -0.02 -0.92 -0.40 0.00 -0.03 0.00 0.00 54.58 53.21 2cry n ASN 82 Cb 0.49 -1.12 0.02 0.00 -0.61 0.00 0.00 39.78 38.55 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 -3.70 2.09 -4.52 2.41 3.06 -1.26 -4.98 119.36 112.46 2cry n ILE 83 Ca -0.16 -0.50 -0.28 0.00 -2.50 0.00 0.00 62.75 59.31 2cry n ILE 83 Cb 0.45 -0.70 -0.10 0.00 0.54 0.00 0.00 39.64 39.83 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 -1.53 1.95 0.38 9.51 -7.23 -1.26 -4.44 120.40 117.78 2cry s VAL 84 Ca 0.65 -1.92 0.08 0.00 -1.81 0.00 0.00 61.98 58.98 2cry s VAL 84 Cb -0.53 -2.88 0.30 0.00 0.56 0.00 0.00 36.38 33.83 2cry s VAL 84 CO 0.56 0.00 1.96 0.03 -0.31 0.00 0.00 175.10 177.35 2cry h ARG 85 N 1.62 0.65 -0.71 4.82 3.08 -1.99 -1.88 114.38 119.97 2cry h ARG 85 Ca -0.44 -0.04 0.10 0.00 0.07 0.00 0.00 59.98 59.68 2cry h ARG 85 Cb 1.25 -0.15 -0.08 0.00 0.08 0.00 0.00 29.97 31.08 2cry h ARG 85 CO 0.77 0.43 0.33 0.00 -1.07 0.00 0.00 179.97 180.44 2cry h ALA 86 N 1.63 0.98 -1.04 0.04 0.00 -2.00 -1.02 119.26 117.86 2cry h ALA 86 Ca 0.30 0.07 0.31 0.00 0.00 0.00 0.00 54.91 55.59 2cry h ALA 86 Cb 0.32 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.96 2cry h ALA 86 CO -0.10 -0.09 0.61 -0.44 0.00 0.00 0.00 179.25 179.23 2cry h ASP 87 N 0.55 0.53 -0.54 0.00 5.19 -1.68 0.54 116.42 121.01 2cry h ASP 87 Ca 0.36 0.16 -0.08 0.00 -0.62 0.00 0.00 57.03 56.85 2cry h ASP 87 Cb 0.42 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.00 2cry h ASP 87 CO -0.30 -0.05 0.04 -0.26 -3.12 0.00 0.00 179.24 175.56 2cry h PHE 88 N 0.38 1.00 -0.03 4.55 0.04 -1.30 -2.90 116.94 118.68 2cry h PHE 88 Ca 0.70 -0.16 -0.15 0.00 2.80 0.00 0.00 57.97 61.17 2cry h PHE 88 Cb 1.62 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 39.49 2cry h PHE 88 CO -0.01 0.90 -0.66 1.96 -0.60 0.00 0.00 178.31 179.90 2cry h GLN 89 N 0.81 0.12 -6.81 1.51 4.20 -0.08 -3.39 115.11 111.46 2cry h GLN 89 Ca 0.16 -0.09 -0.50 0.00 0.06 0.00 0.00 58.65 58.28 2cry h GLN 89 Cb 0.48 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2cry h GLN 89 CO 0.02 0.74 0.42 0.99 -0.67 0.00 0.00 178.83 180.33 2cry s THR 90 N -3.58 3.73 -0.19 -0.54 2.01 0.10 -5.04 115.64 112.15 2cry s THR 90 Ca -0.02 1.69 -0.08 0.00 0.31 0.00 0.00 61.69 63.59 2cry s THR 90 Cb 0.12 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2cry s THR 90 CO 0.79 0.36 0.07 -0.63 -0.69 0.00 0.00 174.62 174.51 2cry s ILE 91 N -1.24 4.85 0.38 1.82 1.09 -1.26 -4.25 121.20 122.58 2cry s ILE 91 Ca 0.45 -0.01 -0.01 0.00 -1.10 0.00 0.00 60.65 59.98 2cry s ILE 91 Cb -0.28 -3.19 -0.03 0.00 -1.06 0.00 0.00 42.46 37.89 2cry s ILE 91 CO 0.36 0.46 0.61 -0.31 -0.10 0.00 0.00 174.94 175.95 2cry s TYR 92 N 0.40 3.52 -0.24 3.97 2.02 0.19 -4.01 117.35 123.19 2cry s TYR 92 Ca 0.04 0.47 -0.06 0.00 -0.37 0.00 0.00 57.07 57.15 2cry s TYR 92 Cb -0.12 -2.00 0.12 0.00 -0.40 0.00 0.00 41.96 39.55 2cry s TYR 92 CO 0.00 0.03 0.47 -0.80 -1.57 0.00 0.00 175.55 173.68 2cry s ASN 93 N -4.02 -0.45 -0.42 2.29 0.01 0.19 -0.19 114.94 112.35 2cry s ASN 93 Ca 0.42 0.96 -0.18 0.00 -0.71 0.00 0.00 52.86 53.35 2cry s ASN 93 Cb -0.10 1.58 0.02 0.00 0.41 0.00 0.00 41.25 43.16 2cry s ASN 93 CO 0.38 -0.24 0.46 0.00 -1.51 0.00 0.00 177.10 176.19 2cry s THR 95 N 2.21 3.92 0.30 0.00 2.01 -0.98 -2.59 115.64 120.51 2cry s THR 95 Ca 0.13 -0.33 0.08 0.00 0.31 0.00 0.00 61.69 61.88 2cry s THR 95 Cb -0.17 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 2cry s THR 95 CO 0.14 0.44 0.14 0.00 -0.69 0.00 0.00 174.62 174.65 2cry s ALA 96 N 0.89 3.48 -0.13 7.40 0.00 -0.85 -1.86 121.76 130.69 2cry s ALA 96 Ca 0.01 -1.65 -0.04 0.00 0.00 0.00 0.00 51.96 50.28 2cry s ALA 96 Cb -0.14 -0.95 0.05 0.00 0.00 0.00 0.00 23.12 22.07 2cry s ALA 96 CO 0.02 0.15 0.08 -1.58 0.00 0.00 0.00 175.76 174.43 2cry s TRP 97 N -2.31 0.16 0.09 0.00 0.51 -0.15 -3.16 118.94 114.09 2cry s TRP 97 Ca 0.35 -0.15 0.10 0.00 -2.12 0.00 0.00 56.10 54.28 2cry s TRP 97 Cb -0.05 -0.63 -0.03 0.00 -0.81 0.00 0.00 33.47 31.94 2cry s TRP 97 CO 0.23 -0.42 -0.26 1.21 -0.51 0.00 0.00 176.95 177.20 2cry s ASN 98 N 2.15 3.22 0.50 2.95 2.47 0.91 0.95 114.94 128.08 2cry s ASN 98 Ca 0.03 -0.68 0.18 0.00 0.42 0.00 0.00 52.86 52.81 2cry s ASN 98 Cb -0.15 -0.25 1.00 0.00 -1.45 0.00 0.00 41.25 40.40 2cry s ASN 98 CO -0.07 0.21 1.50 -1.28 -3.72 0.00 0.00 177.10 173.74 2cry h SER 99 N 4.28 0.00 0.28 -4.21 0.87 -1.92 0.49 113.55 113.34 2cry h SER 99 Ca -0.49 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 59.74 2cry h SER 99 Cb 1.16 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.09 2cry h SER 99 CO 0.41 0.00 -1.89 0.49 -0.53 0.00 0.00 176.83 175.31 2cry n PHE 100 N -2.43 1.11 0.00 2.24 3.01 -1.26 -5.07 117.46 115.06 2cry n PHE 100 Ca -0.01 0.30 0.00 0.00 1.01 0.00 0.00 57.45 58.75 2cry n PHE 100 Cb 0.43 -1.17 0.00 0.00 -0.01 0.00 0.00 39.48 38.73 2cry n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2cry n GLY 101 N 1.80 -1.02 3.56 1.37 0.00 0.17 -4.58 105.19 106.49 2cry n GLY 101 Ca -0.26 0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 2cry n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cry s SER 102 N -4.00 -0.28 0.32 1.61 0.01 -1.26 -0.06 113.70 110.04 2cry s SER 102 Ca 0.00 -0.07 -0.05 0.00 1.31 0.00 0.00 55.95 57.14 2cry s SER 102 Cb 0.00 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.58 2cry s SER 102 CO 0.00 -0.58 0.48 -1.81 0.41 0.00 0.00 173.24 171.74 2cry s ASP 103 N -2.52 0.63 -0.28 2.44 1.11 -1.19 -4.77 116.67 112.09 2cry s ASP 103 Ca 0.07 -1.35 -0.24 0.00 0.18 0.00 0.00 52.55 51.21 2cry s ASP 103 Cb -0.01 0.65 0.10 0.00 1.07 0.00 0.00 42.92 44.73 2cry s ASP 103 CO -0.06 -1.27 0.91 -0.89 1.18 0.00 0.00 175.17 175.04 2cry s THR 104 N -3.25 0.00 0.08 -1.27 2.01 -1.26 -2.01 115.64 109.95 2cry s THR 104 Ca 0.28 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.35 2cry s THR 104 Cb -0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 2cry s THR 104 CO 0.17 0.00 -0.18 -0.70 -0.69 0.00 0.00 174.62 173.22 2cry s GLU 105 N 0.39 1.01 -0.29 4.92 2.56 -1.07 -4.98 118.70 121.25 2cry s GLU 105 Ca 0.01 -1.05 -0.13 0.00 0.00 0.00 0.00 54.97 53.79 2cry s GLU 105 Cb -0.05 -1.16 -0.04 0.00 2.00 0.00 0.00 34.13 34.88 2cry s GLU 105 CO -0.05 0.27 0.29 0.42 -0.56 0.00 0.00 175.26 175.64 2cry s ILE 106 N -1.17 5.23 -0.32 -3.70 1.01 -1.26 -2.40 121.20 118.59 2cry s ILE 106 Ca 0.03 0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.99 2cry s ILE 106 Cb -0.10 -3.66 0.09 0.00 0.01 0.00 0.00 42.46 38.80 2cry s ILE 106 CO 0.03 0.13 0.02 -0.63 0.00 0.00 0.00 174.94 174.49 2cry s ILE 107 N 1.92 2.31 -0.36 2.92 1.09 0.73 -4.99 121.20 124.83 2cry s ILE 107 Ca 0.11 -2.15 -0.10 0.00 -1.10 0.00 0.00 60.65 57.40 2cry s ILE 107 Cb -0.16 -2.62 0.02 0.00 -1.06 0.00 0.00 42.46 38.64 2cry s ILE 107 CO 0.11 -0.46 0.18 -0.60 -0.10 0.00 0.00 174.94 174.07 2cry s ARG 108 N 0.96 2.90 0.25 2.79 3.52 -1.26 0.53 118.95 128.64 2cry s ARG 108 Ca 0.06 -1.02 -0.30 0.00 -0.13 0.00 0.00 55.73 54.34 2cry s ARG 108 Cb -0.19 -3.66 -0.09 0.00 -1.56 0.00 0.00 34.95 29.44 2cry s ARG 108 CO -0.07 -0.64 0.98 -1.17 -0.81 0.00 0.00 175.30 173.59 2cry s LEU 109 N 1.54 4.62 0.17 -0.88 2.96 -1.26 -5.01 118.68 120.82 2cry s LEU 109 Ca 0.02 2.02 0.03 0.00 -0.22 0.00 0.00 54.13 55.98 2cry s LEU 109 Cb -0.19 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 42.83 2cry s LEU 109 CO 0.06 0.08 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.59 2cry s LYS 110 N -1.26 1.11 0.48 1.98 1.02 -1.26 -4.17 119.74 117.63 2cry s LYS 110 Ca 0.42 -1.51 -0.23 0.00 0.02 0.00 0.00 55.97 54.67 2cry s LYS 110 Cb -0.27 -0.47 -0.07 0.00 -0.52 0.00 0.00 37.83 36.50 2cry s LYS 110 CO 0.34 -0.03 1.23 -2.00 -0.92 0.00 0.00 175.35 173.97 2cry s GLU 111 N -3.83 3.61 0.46 1.68 2.12 -1.26 -4.69 118.70 116.79 2cry s GLU 111 Ca 0.21 1.93 -0.16 0.00 0.36 0.00 0.00 54.97 57.31 2cry s GLU 111 Cb 0.05 -2.40 -0.14 0.00 0.26 0.00 0.00 34.13 31.90 2cry s GLU 111 CO 0.03 -0.72 -0.12 0.94 -0.54 0.00 0.00 175.26 174.84 2cry n GLN 112 N -0.58 0.00 0.00 4.30 0.00 -1.20 -4.90 117.38 115.00 2cry n GLN 112 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.08 2cry n GLN 112 Cb 0.47 -0.91 0.00 0.00 0.00 0.00 0.00 30.24 29.80 2cry n GLN 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2cry n GLY 113 N 2.29 1.51 3.94 1.69 0.00 -1.26 -5.12 105.19 108.24 2cry n GLY 113 Ca 0.07 -1.66 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 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 0.00 4.45 -0.12 1.61 0.01 -1.26 -5.06 113.70 113.32 2cry s SER 114 Ca 0.00 0.24 -0.29 0.00 1.31 0.00 0.00 55.95 57.21 2cry s SER 114 Cb 0.00 -0.74 0.07 0.00 0.21 0.00 0.00 66.02 65.56 2cry s SER 114 CO 0.00 -1.82 0.69 -0.70 0.41 0.00 0.00 173.24 171.82 2cry s GLU 115 N -5.31 0.98 1.02 12.44 2.12 -1.26 -5.16 118.70 123.53 2cry s GLU 115 Ca 0.64 0.51 -0.21 0.00 0.36 0.00 0.00 54.97 56.27 2cry s GLU 115 Cb -0.08 0.47 -0.08 0.00 0.26 0.00 0.00 34.13 34.69 2cry s GLU 115 CO 0.46 -0.25 -0.70 0.00 -0.54 0.00 0.00 175.26 174.22 2cry n MET 116 N 1.51 -0.41 -4.21 4.30 0.00 -1.26 -5.01 117.12 112.04 2cry n MET 116 Ca -0.17 -0.11 -0.18 0.00 0.00 0.00 0.00 57.70 57.23 2cry n MET 116 Cb 0.56 -1.29 -0.12 0.00 0.00 0.00 0.00 33.22 32.38 2cry n MET 116 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2cry s SER 117 N -1.35 1.88 0.00 3.17 0.01 -1.26 -5.11 113.70 111.05 2cry s SER 117 Ca 0.45 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.99 2cry s SER 117 Cb -0.07 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.10 2cry s SER 117 CO 0.71 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.86 2cry n GLY 118 N 0.88 -0.43 3.67 3.44 0.00 -1.26 -5.00 105.19 106.48 2cry n GLY 118 Ca -0.18 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.15 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 -0.63 4.21 0.11 1.61 0.04 -1.26 -5.02 135.00 134.06 2cry s PRO 119 Ca 0.00 2.01 0.06 0.00 0.04 0.00 0.00 61.00 63.11 2cry s PRO 119 Cb 0.00 -3.84 -0.04 0.00 0.04 0.00 0.00 34.50 30.66 2cry s PRO 119 CO 0.00 -0.76 -0.03 -1.54 0.04 0.00 0.00 177.00 174.71 2cry s SER 120 N 2.68 4.78 -0.20 6.66 1.04 -1.26 -5.13 113.70 122.27 2cry s SER 120 Ca 0.67 -0.28 -0.15 0.00 0.48 0.00 0.00 55.95 56.67 2cry s SER 120 Cb -0.30 -1.05 0.06 0.00 0.10 0.00 0.00 66.02 64.83 2cry s SER 120 CO 0.25 0.16 0.51 -0.44 0.98 0.00 0.00 173.24 174.70 2cry s SER 121 N -2.36 -0.60 0.00 7.02 0.01 -1.26 -5.29 113.70 111.22 2cry s SER 121 Ca 0.24 1.07 0.00 0.00 1.31 0.00 0.00 55.95 58.57 2cry s SER 121 Cb -0.11 1.01 0.00 0.00 0.21 0.00 0.00 66.02 67.13 2cry s SER 121 CO 0.17 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.23