#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 0.59 -0.06 1.61 0.01 -1.26 -5.18 113.70 109.42 2cry s SER 2 Ca 0.00 -1.34 -0.14 0.00 1.31 0.00 0.00 55.95 55.77 2cry s SER 2 Cb 0.00 0.62 0.03 0.00 0.21 0.00 0.00 66.02 66.87 2cry s SER 2 CO 0.00 -1.21 0.34 -0.55 0.41 0.00 0.00 173.24 172.22 2cry s SER 3 N -3.18 -0.26 0.00 2.44 0.15 -1.26 -5.11 113.70 106.48 2cry s SER 3 Ca 0.29 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.26 2cry s SER 3 Cb 0.00 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 2cry s SER 3 CO 0.17 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2cry n GLY 4 N 1.81 -2.19 0.95 9.45 0.00 -1.26 -5.06 105.19 108.89 2cry n GLY 4 Ca -0.19 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2cry n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cry n SER 5 N -0.43 0.76 -4.87 1.61 2.88 -1.26 -5.07 113.62 107.24 2cry n SER 5 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 2cry n SER 5 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2cry n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cry s SER 6 N -4.64 6.68 0.00 -3.46 0.01 -1.26 -5.02 113.70 106.01 2cry s SER 6 Ca 0.00 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.17 2cry s SER 6 Cb 0.00 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 64.01 2cry s SER 6 CO 0.00 0.04 0.95 0.61 0.41 0.00 0.00 173.24 175.25 2cry n GLY 7 N 0.38 -3.15 3.37 3.44 0.00 -1.26 -4.32 105.19 103.64 2cry n GLY 7 Ca -0.03 0.58 -0.35 0.00 0.00 0.00 0.00 46.02 46.22 2cry n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cry s THR 8 N -2.81 3.57 -0.35 2.61 2.01 -1.26 -5.08 115.64 114.33 2cry s THR 8 Ca 0.00 -0.44 -0.16 0.00 0.31 0.00 0.00 61.69 61.41 2cry s THR 8 Cb 0.00 -2.61 -0.01 0.00 0.01 0.00 0.00 72.50 69.89 2cry s THR 8 CO 0.00 0.43 0.38 -0.76 -0.69 0.00 0.00 174.62 173.98 2cry s LEU 9 N 1.23 4.50 0.48 4.42 1.02 -1.26 -5.07 118.68 123.99 2cry s LEU 9 Ca 0.03 -0.29 -0.06 0.00 0.02 0.00 0.00 54.13 53.83 2cry s LEU 9 Cb -0.14 -2.36 -0.04 0.00 0.02 0.00 0.00 46.19 43.67 2cry s LEU 9 CO -0.01 -0.38 0.80 0.28 0.02 0.00 0.00 176.35 177.06 2cry s THR 10 N 2.05 4.88 0.01 5.49 -1.32 -1.26 -5.10 115.64 120.38 2cry s THR 10 Ca 0.12 0.31 -0.00 0.00 -1.21 0.00 0.00 61.69 60.90 2cry s THR 10 Cb -0.17 -3.84 -0.01 0.00 -1.51 0.00 0.00 72.50 66.97 2cry s THR 10 CO 0.12 -0.82 -0.01 0.68 -2.21 0.00 0.00 174.62 172.39 2cry s VAL 11 N -2.71 0.04 0.34 5.08 -7.23 -1.26 -5.17 120.40 109.49 2cry s VAL 11 Ca 0.48 -0.33 0.08 0.00 -1.81 0.00 0.00 61.98 60.41 2cry s VAL 11 Cb -0.10 -0.11 -0.07 0.00 0.56 0.00 0.00 36.38 36.67 2cry s VAL 11 CO 0.43 -0.18 -0.06 0.54 -0.31 0.00 0.00 175.10 175.53 2cry s ASN 12 N -0.53 3.40 0.00 4.85 4.22 -1.26 -4.60 114.94 121.03 2cry s ASN 12 Ca -0.06 -1.24 0.00 0.00 -2.14 0.00 0.00 52.86 49.43 2cry s ASN 12 Cb -0.04 -0.29 0.00 0.00 1.28 0.00 0.00 41.25 42.20 2cry s ASN 12 CO -0.00 -0.31 0.00 0.61 -2.04 0.00 0.00 177.10 175.36 2cry n GLY 13 N -0.76 0.34 3.70 0.45 0.00 -1.22 -5.01 105.19 102.69 2cry n GLY 13 Ca -0.05 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 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 0.81 0.16 1.61 0.04 -1.26 -4.51 135.00 129.95 2cry s PRO 14 Ca 0.00 0.66 -0.30 0.00 0.04 0.00 0.00 61.00 61.39 2cry s PRO 14 Cb 0.00 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.69 2cry s PRO 14 CO 0.00 -2.51 1.33 -1.25 0.04 0.00 0.00 177.00 174.61 2cry s PRO 15 N -4.95 4.37 -0.23 0.56 0.04 -1.26 -4.68 135.00 128.84 2cry s PRO 15 Ca 0.64 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.74 2cry s PRO 15 Cb -0.18 -3.22 0.04 0.00 0.04 0.00 0.00 34.50 31.17 2cry s PRO 15 CO 0.57 -0.32 -0.13 0.42 0.04 0.00 0.00 177.00 177.59 2cry s ILE 16 N 0.52 2.26 -0.52 0.56 1.01 -1.26 -4.29 121.20 119.48 2cry s ILE 16 Ca 0.60 -1.30 -0.13 0.00 0.00 0.00 0.00 60.65 59.81 2cry s ILE 16 Cb -0.36 -2.18 0.13 0.00 0.01 0.00 0.00 42.46 40.06 2cry s ILE 16 CO 0.35 0.20 0.45 -0.63 0.00 0.00 0.00 174.94 175.30 2cry s ILE 17 N 1.20 4.83 0.00 2.92 1.01 -1.26 -0.90 121.20 129.01 2cry s ILE 17 Ca -0.03 -1.65 -0.03 0.00 0.00 0.00 0.00 60.65 58.95 2cry s ILE 17 Cb -0.17 -4.13 -0.02 0.00 0.01 0.00 0.00 42.46 38.16 2cry s ILE 17 CO -0.08 -0.84 0.73 -1.28 0.00 0.00 0.00 174.94 173.47 2cry h SER 18 N 8.68 -0.09 -1.81 3.58 0.87 -1.95 -3.45 113.55 119.37 2cry h SER 18 Ca -0.25 0.00 0.20 0.00 -1.23 0.00 0.00 61.79 60.51 2cry h SER 18 Cb 1.09 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 63.03 2cry h SER 18 CO 0.96 -0.04 0.57 -1.20 -0.53 0.00 0.00 176.83 176.59 2cry n SER 19 N -2.37 -1.07 -4.96 6.23 7.64 -1.26 -5.04 113.62 112.79 2cry n SER 19 Ca -0.01 -1.41 -0.21 0.00 1.01 0.00 0.00 58.87 58.26 2cry n SER 19 Cb 0.04 1.70 0.01 0.00 -1.01 0.00 0.00 64.21 64.95 2cry n SER 19 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2cry s THR 20 N -2.11 2.39 0.03 0.44 -4.23 -1.26 0.07 115.64 110.96 2cry s THR 20 Ca 0.20 -1.19 -0.04 0.00 -1.18 0.00 0.00 61.69 59.48 2cry s THR 20 Cb -0.01 -2.57 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 2cry s THR 20 CO 0.02 0.00 -0.08 0.00 -0.54 0.00 0.00 174.62 174.02 2cry n GLN 21 N -1.87 0.12 -0.04 3.99 1.13 -0.09 -4.83 117.38 115.79 2cry n GLN 21 Ca 0.07 0.05 -0.01 0.00 -1.94 0.00 0.00 57.00 55.17 2cry n GLN 21 Cb 0.62 -0.70 -0.01 0.00 0.11 0.00 0.00 30.24 30.25 2cry n GLN 21 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 2cry n THR 22 N -3.68 -0.06 -3.93 5.09 -1.04 -1.26 -4.67 114.28 104.73 2cry n THR 22 Ca -0.04 1.13 -0.34 0.00 -2.04 0.00 0.00 64.05 62.77 2cry n THR 22 Cb 0.14 -1.48 -0.06 0.00 -1.82 0.00 0.00 70.33 67.11 2cry n THR 22 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cry n GLN 23 N -2.97 -0.78 -3.48 -2.82 1.13 -1.26 -4.83 117.38 102.37 2cry n GLN 23 Ca 0.00 0.11 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 2cry n GLN 23 Cb 0.02 -3.70 -0.04 0.00 0.11 0.00 0.00 30.24 26.63 2cry n GLN 23 CO 0.00 0.00 0.00 -3.38 -1.44 0.00 0.00 177.06 172.24 2cry s HIS 24 N -2.88 -0.80 0.05 1.08 -3.43 -1.26 -4.41 115.29 103.64 2cry s HIS 24 Ca 0.63 1.41 0.05 0.00 -0.80 0.00 0.00 55.06 56.35 2cry s HIS 24 Cb -0.37 0.48 -0.02 0.00 -1.43 0.00 0.00 32.58 31.24 2cry s HIS 24 CO 0.82 -0.40 -0.15 0.00 -2.00 0.00 0.00 174.74 173.01 2cry s ALA 25 N 2.41 1.27 0.08 -1.38 0.00 -1.22 -4.68 121.76 118.24 2cry s ALA 25 Ca -0.04 -0.91 0.09 0.00 0.00 0.00 0.00 51.96 51.10 2cry s ALA 25 Cb -0.07 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 2cry s ALA 25 CO -0.18 0.24 -0.21 -0.51 0.00 0.00 0.00 175.76 175.10 2cry s LEU 26 N -1.30 2.50 1.01 0.00 1.02 -1.26 -4.19 118.68 116.45 2cry s LEU 26 Ca 0.02 -0.55 -0.11 0.00 0.02 0.00 0.00 54.13 53.50 2cry s LEU 26 Cb -0.08 -1.43 0.20 0.00 0.02 0.00 0.00 46.19 44.89 2cry s LEU 26 CO 0.02 0.22 1.09 -1.38 0.02 0.00 0.00 176.35 176.32 2cry s HIS 27 N -0.99 1.66 0.00 0.29 -3.43 -1.26 -3.79 115.29 107.77 2cry s HIS 27 Ca 0.15 1.45 0.00 0.00 -0.80 0.00 0.00 55.06 55.86 2cry s HIS 27 Cb -0.10 -3.20 0.00 0.00 -1.43 0.00 0.00 32.58 27.84 2cry s HIS 27 CO 0.06 -3.14 0.00 0.41 -2.00 0.00 0.00 174.74 170.07 2cry n GLY 28 N 0.17 2.03 3.80 -1.38 0.00 -1.26 -4.90 105.19 103.65 2cry n GLY 28 Ca 0.07 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2cry n GLY 28 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2cry s GLU 29 N 0.00 0.12 -0.29 1.61 -1.05 -1.25 -4.65 118.70 113.18 2cry s GLU 29 Ca 0.00 -0.18 -0.17 0.00 -0.15 0.00 0.00 54.97 54.46 2cry s GLU 29 Cb 0.00 -1.76 -0.02 0.00 -0.44 0.00 0.00 34.13 31.90 2cry s GLU 29 CO 0.00 -2.80 0.49 0.15 0.95 0.00 0.00 175.26 174.05 2cry s LYS 30 N -5.64 3.92 0.00 -4.83 1.02 -1.26 -4.10 119.74 108.85 2cry s LYS 30 Ca 0.71 0.11 0.00 0.00 0.02 0.00 0.00 55.97 56.82 2cry s LYS 30 Cb -0.07 -3.70 0.00 0.00 -0.52 0.00 0.00 37.83 33.53 2cry s LYS 30 CO 0.54 -0.43 0.00 0.41 -0.92 0.00 0.00 175.35 174.95 2cry n GLY 31 N 4.58 -3.02 3.63 -3.33 0.00 -0.98 -4.66 105.19 101.40 2cry n GLY 31 Ca -0.05 -1.00 -0.05 0.00 0.00 0.00 0.00 46.02 44.91 2cry n GLY 31 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cry s GLN 32 N -1.81 0.24 -0.34 1.61 0.74 -1.26 -3.40 119.66 115.44 2cry s GLN 32 Ca 0.00 0.14 0.01 0.00 0.05 0.00 0.00 55.36 55.56 2cry s GLN 32 Cb 0.00 0.11 0.11 0.00 1.10 0.00 0.00 33.01 34.33 2cry s GLN 32 CO 0.00 -0.06 0.12 0.42 -0.55 0.00 0.00 175.29 175.22 2cry s ILE 33 N -0.57 1.23 -0.30 -2.34 1.01 -0.98 -4.50 121.20 114.76 2cry s ILE 33 Ca 0.05 -1.80 -0.26 0.00 0.00 0.00 0.00 60.65 58.65 2cry s ILE 33 Cb -0.03 -1.91 0.01 0.00 0.01 0.00 0.00 42.46 40.54 2cry s ILE 33 CO -0.08 -0.71 0.90 -0.75 0.00 0.00 0.00 174.94 174.30 2cry s LYS 34 N 1.24 4.03 -0.23 2.79 2.20 -1.26 -3.25 119.74 125.25 2cry s LYS 34 Ca 0.12 0.82 -0.09 0.00 -0.36 0.00 0.00 55.97 56.46 2cry s LYS 34 Cb -0.19 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.37 2cry s LYS 34 CO -0.17 -0.74 0.11 0.00 -0.36 0.00 0.00 175.35 174.20 2cry s PHE 36 N 1.17 2.94 -0.26 0.00 0.40 0.11 -3.26 117.98 119.08 2cry s PHE 36 Ca 0.06 -1.45 -0.21 0.00 -0.60 0.00 0.00 56.93 54.73 2cry s PHE 36 Cb -0.14 -4.53 -0.02 0.00 0.51 0.00 0.00 43.02 38.84 2cry s PHE 36 CO 0.04 -1.68 0.65 0.42 0.70 0.00 0.00 175.22 175.35 2cry s ILE 37 N 3.51 4.96 -0.64 0.64 1.01 -0.40 -3.22 121.20 127.06 2cry s ILE 37 Ca 0.44 1.13 -0.02 0.00 0.00 0.00 0.00 60.65 62.20 2cry s ILE 37 Cb -0.01 -3.96 0.34 0.00 0.01 0.00 0.00 42.46 38.85 2cry s ILE 37 CO -0.03 -0.01 2.11 0.54 0.00 0.00 0.00 174.94 177.55 2cry n ARG 38 N 5.77 2.53 -2.71 2.79 1.74 -0.08 -0.75 116.66 125.96 2cry n ARG 38 Ca -0.00 -2.98 -0.42 0.00 -0.77 0.00 0.00 57.85 53.69 2cry n ARG 38 Cb 0.49 -2.16 -0.03 0.00 -1.02 0.00 0.00 32.46 29.73 2cry n ARG 38 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2cry s SER 39 N -1.08 7.40 -0.27 0.55 0.01 -1.26 -4.38 113.70 114.67 2cry s SER 39 Ca 0.55 1.69 0.00 0.00 1.31 0.00 0.00 55.95 59.51 2cry s SER 39 Cb 0.44 -2.57 0.16 0.00 0.21 0.00 0.00 66.02 64.25 2cry s SER 39 CO -0.14 -0.21 0.43 -0.89 0.41 0.00 0.00 173.24 172.83 2cry s THR 40 N 0.76 -0.68 1.01 1.44 2.01 -1.26 -3.49 115.64 115.43 2cry s THR 40 Ca 0.51 -0.16 -0.13 0.00 0.31 0.00 0.00 61.69 62.22 2cry s THR 40 Cb -0.22 -0.92 0.20 0.00 0.01 0.00 0.00 72.50 71.57 2cry s THR 40 CO 0.28 -0.17 1.09 -2.16 -0.69 0.00 0.00 174.62 172.97 2cry s PRO 41 N 2.59 0.30 0.76 4.92 0.04 -1.26 -3.37 135.00 138.99 2cry s PRO 41 Ca 0.12 0.48 -0.11 0.00 0.04 0.00 0.00 61.00 61.54 2cry s PRO 41 Cb -0.14 -1.72 0.05 0.00 0.04 0.00 0.00 34.50 32.73 2cry s PRO 41 CO -0.23 -2.81 1.09 -1.25 0.04 0.00 0.00 177.00 173.84 2cry s PRO 42 N -4.96 2.30 0.59 0.56 0.04 -1.23 -4.82 135.00 127.49 2cry s PRO 42 Ca 0.66 1.19 -0.17 0.00 0.04 0.00 0.00 61.00 62.71 2cry s PRO 42 Cb -0.19 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 2cry s PRO 42 CO 0.58 -1.61 1.12 -1.25 0.04 0.00 0.00 177.00 175.88 2cry s PRO 43 N -4.83 3.11 0.03 0.56 0.04 -1.26 -4.90 135.00 127.75 2cry s PRO 43 Ca 0.62 1.52 -0.06 0.00 0.04 0.00 0.00 61.00 63.11 2cry s PRO 43 Cb -0.17 -1.98 -0.30 0.00 0.04 0.00 0.00 34.50 32.09 2cry s PRO 43 CO 0.55 -1.02 0.96 -0.44 0.04 0.00 0.00 177.00 177.09 2cry h ASP 44 N 0.69 0.50 -4.35 6.66 3.32 0.66 -3.47 116.42 120.43 2cry h ASP 44 Ca -0.49 -0.61 -0.40 0.00 0.02 0.00 0.00 57.03 55.56 2cry h ASP 44 Cb 1.26 -0.16 -0.20 0.00 0.22 0.00 0.00 39.33 40.44 2cry h ASP 44 CO 0.56 1.49 -0.77 -0.60 -1.72 0.00 0.00 179.24 178.20 2cry s ARG 45 N -2.62 0.87 -0.09 3.56 3.52 -1.09 -5.01 118.95 118.09 2cry s ARG 45 Ca -0.08 -1.06 -0.08 0.00 -0.13 0.00 0.00 55.73 54.38 2cry s ARG 45 Cb 0.06 -0.81 0.02 0.00 -1.56 0.00 0.00 34.95 32.67 2cry s ARG 45 CO 0.88 0.17 0.23 0.42 -0.81 0.00 0.00 175.30 176.19 2cry s ILE 46 N -1.66 -0.00 -0.03 4.11 1.01 -1.26 -0.36 121.20 123.01 2cry s ILE 46 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.70 2cry s ILE 46 Cb -0.08 -0.33 -0.00 0.00 0.01 0.00 0.00 42.46 42.06 2cry s ILE 46 CO 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 174.94 174.84 2cry s ALA 47 N 0.14 1.07 -0.55 9.38 0.00 -0.30 -4.39 121.76 127.11 2cry s ALA 47 Ca -0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 51.96 51.45 2cry s ALA 47 Cb -0.02 -0.36 0.14 0.00 0.00 0.00 0.00 23.12 22.88 2cry s ALA 47 CO 0.00 0.19 0.39 -1.58 0.00 0.00 0.00 175.76 174.76 2cry s TRP 48 N 0.08 3.49 0.03 0.00 0.52 0.96 -1.37 118.94 122.65 2cry s TRP 48 Ca -0.02 -2.40 0.06 0.00 0.02 0.00 0.00 56.10 53.75 2cry s TRP 48 Cb -0.09 -3.32 -0.03 0.00 -1.15 0.00 0.00 33.47 28.88 2cry s TRP 48 CO 0.01 -0.92 -0.15 -1.54 0.02 0.00 0.00 176.95 174.37 2cry s SER 49 N 1.52 4.01 0.00 2.95 1.04 -0.42 -1.50 113.70 121.30 2cry s SER 49 Ca 0.12 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2cry s SER 49 Cb -0.21 -0.74 0.00 0.00 0.10 0.00 0.00 66.02 65.17 2cry s SER 49 CO -0.04 0.27 0.00 -2.67 0.98 0.00 0.00 173.24 171.78 2cry n TRP 50 N 1.59 0.00 -0.02 5.02 2.14 -1.24 -0.12 117.44 124.82 2cry n TRP 50 Ca -0.16 0.00 -0.02 0.00 2.07 0.00 0.00 57.50 59.39 2cry n TRP 50 Cb 0.52 0.00 -0.01 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 -2.00 0.10 0.00 -2.67 4.76 -1.23 -4.60 118.16 112.52 2cry n LYS 51 Ca 0.00 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2cry n LYS 51 Cb 0.00 -0.65 0.00 0.00 -1.84 0.00 0.00 35.03 32.54 2cry n LYS 51 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2cry n GLU 52 N -2.91 2.23 -1.19 1.97 2.13 -1.26 -5.08 120.64 116.53 2cry n GLU 52 Ca -0.03 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.49 2cry n GLU 52 Cb 0.10 -0.77 0.14 0.00 0.27 0.00 0.00 31.44 31.17 2cry n GLU 52 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2cry s ASN 53 N -2.04 3.48 -0.21 4.31 0.01 -1.26 -5.07 114.94 114.16 2cry s ASN 53 Ca 0.00 1.51 -0.07 0.00 -0.71 0.00 0.00 52.86 53.58 2cry s ASN 53 Cb 0.00 -2.19 0.09 0.00 0.41 0.00 0.00 41.25 39.57 2cry s ASN 53 CO 0.00 -2.64 0.45 -0.69 -1.51 0.00 0.00 177.10 172.71 2cry s VAL 54 N -2.92 -0.67 -0.29 1.60 1.01 -1.26 -3.59 120.40 114.27 2cry s VAL 54 Ca 0.63 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.74 2cry s VAL 54 Cb -0.18 -0.71 0.05 0.00 0.00 0.00 0.00 36.38 35.54 2cry s VAL 54 CO 0.57 0.06 -0.02 -0.22 0.00 0.00 0.00 175.10 175.49 2cry s LEU 55 N 2.60 3.80 -0.08 3.92 2.96 -0.56 -4.90 118.68 126.42 2cry s LEU 55 Ca -0.03 -1.26 -0.25 0.00 -0.22 0.00 0.00 54.13 52.37 2cry s LEU 55 Cb -0.12 -1.69 -0.29 0.00 0.50 0.00 0.00 46.19 44.59 2cry s LEU 55 CO -0.14 -0.24 0.86 -0.33 -1.32 0.00 0.00 176.35 175.18 2cry h GLU 56 N 7.97 0.18 -1.98 1.98 5.08 -1.87 0.27 114.58 126.21 2cry h GLU 56 Ca -0.21 -0.31 0.18 0.00 -1.00 0.00 0.00 59.36 58.02 2cry h GLU 56 Cb 1.06 0.11 -0.15 0.00 0.50 0.00 0.00 28.75 30.27 2cry h GLU 56 CO 0.52 1.14 0.61 0.45 -1.00 0.00 0.00 179.01 180.73 2cry s SER 57 N -6.66 -0.25 0.00 1.42 0.15 -1.26 -4.62 113.70 102.48 2cry s SER 57 Ca -0.16 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.43 2cry s SER 57 Cb -0.01 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 2cry s SER 57 CO 0.77 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 175.31 2cry n GLY 58 N -0.25 -0.49 2.87 9.45 0.00 -1.25 -4.88 105.19 110.64 2cry n GLY 58 Ca -0.06 -1.61 -0.26 0.00 0.00 0.00 0.00 46.02 44.08 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 0.91 -0.12 2.61 2.01 -1.26 -2.00 115.64 117.78 2cry s THR 59 Ca 0.00 -0.30 0.02 0.00 0.31 0.00 0.00 61.69 61.72 2cry s THR 59 Cb 0.00 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.52 2cry s THR 59 CO 0.00 0.27 -0.17 -0.55 -0.69 0.00 0.00 174.62 173.48 2cry s SER 60 N 1.75 2.66 0.50 3.53 0.15 -0.10 -4.96 113.70 117.23 2cry s SER 60 Ca 0.04 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.20 2cry s SER 60 Cb -0.13 -1.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.97 2cry s SER 60 CO -0.08 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.01 2cry n GLY 61 N 4.16 0.36 2.41 9.45 0.00 -1.26 -0.74 105.19 119.58 2cry n GLY 61 Ca -0.19 0.65 -0.14 0.00 0.00 0.00 0.00 46.02 46.34 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 2.71 -3.87 1.61 1.74 -1.26 -5.02 116.66 112.57 2cry n ARG 62 Ca 0.00 -3.87 -0.11 0.00 -0.77 0.00 0.00 57.85 53.09 2cry n ARG 62 Cb 0.00 -1.95 -0.12 0.00 -1.02 0.00 0.00 32.46 29.37 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 -3.66 -0.01 -0.19 -1.55 2.02 0.09 -2.82 117.35 111.23 2cry s TYR 63 Ca 0.40 0.02 -0.05 0.00 -0.37 0.00 0.00 57.07 57.07 2cry s TYR 63 Cb 0.38 -0.02 0.07 0.00 -0.40 0.00 0.00 41.96 41.98 2cry s TYR 63 CO -0.01 -0.14 0.10 0.99 -1.57 0.00 0.00 175.55 174.92 2cry s THR 64 N -0.61 -0.10 0.12 -0.71 2.01 -0.43 -0.92 115.64 115.00 2cry s THR 64 Ca -0.07 -0.23 -0.19 0.00 0.31 0.00 0.00 61.69 61.51 2cry s THR 64 Cb -0.04 -0.62 -0.07 0.00 0.01 0.00 0.00 72.50 71.78 2cry s THR 64 CO 0.00 -0.33 0.61 -0.69 -0.69 0.00 0.00 174.62 173.53 2cry s VAL 65 N 2.14 4.69 -0.27 3.82 1.01 -0.85 -1.14 120.40 129.80 2cry s VAL 65 Ca 0.03 1.23 -0.01 0.00 0.00 0.00 0.00 61.98 63.23 2cry s VAL 65 Cb -0.16 -3.90 0.15 0.00 0.00 0.00 0.00 36.38 32.47 2cry s VAL 65 CO -0.12 0.46 0.41 -1.61 0.00 0.00 0.00 175.10 174.23 2cry s GLU 66 N -1.36 0.39 0.04 2.72 2.02 -0.04 -3.85 118.70 118.63 2cry s GLU 66 Ca 0.33 0.42 -0.25 0.00 0.02 0.00 0.00 54.97 55.50 2cry s GLU 66 Cb -0.19 -0.32 -0.05 0.00 0.10 0.00 0.00 34.13 33.66 2cry s GLU 66 CO 0.20 -0.79 0.76 0.99 0.02 0.00 0.00 175.26 176.44 2cry s THR 67 N 2.57 4.74 0.33 3.63 2.01 -1.26 -1.27 115.64 126.39 2cry s THR 67 Ca 0.12 1.61 0.06 0.00 0.31 0.00 0.00 61.69 63.79 2cry s THR 67 Cb -0.14 -4.10 -0.07 0.00 0.01 0.00 0.00 72.50 68.20 2cry s THR 67 CO -0.22 0.37 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.45 2cry s ILE 68 N -0.06 1.58 0.05 1.82 1.01 0.11 -4.97 121.20 120.74 2cry s ILE 68 Ca 0.38 -2.06 0.08 0.00 0.00 0.00 0.00 60.65 59.06 2cry s ILE 68 Cb -0.20 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 2cry s ILE 68 CO 0.23 -0.12 -0.22 -0.55 0.00 0.00 0.00 174.94 174.28 2cry s SER 69 N -3.53 3.53 0.31 3.58 0.15 -1.26 -0.25 113.70 116.23 2cry s SER 69 Ca 0.33 -0.50 0.06 0.00 0.70 0.00 0.00 55.95 56.54 2cry s SER 69 Cb 0.07 -0.47 -0.02 0.00 -1.71 0.00 0.00 66.02 63.89 2cry s SER 69 CO 0.15 0.25 0.20 0.35 1.20 0.00 0.00 173.24 175.40 2cry n THR 70 N 1.62 0.00 -0.08 6.45 -2.24 0.54 -4.85 114.28 115.73 2cry n THR 70 Ca -0.17 -2.09 -0.11 0.00 -2.27 0.00 0.00 64.05 59.41 2cry n THR 70 Cb 0.52 0.94 -0.05 0.00 -2.10 0.00 0.00 70.33 69.65 2cry n THR 70 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2cry h GLU 71 N 0.00 0.40 -0.10 -0.78 4.11 -1.99 -3.01 114.58 113.21 2cry h GLU 71 Ca -0.23 -0.13 -0.10 0.00 0.07 0.00 0.00 59.36 58.97 2cry h GLU 71 Cb 1.04 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2cry h GLU 71 CO 0.34 0.60 -0.37 1.05 0.07 0.00 0.00 179.01 180.70 2cry h GLU 72 N 0.16 0.21 0.00 1.06 4.11 -1.97 -3.48 114.58 114.66 2cry h GLU 72 Ca 0.06 -0.09 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2cry h GLU 72 Cb 0.42 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2cry h GLU 72 CO 0.01 0.55 0.00 0.41 0.07 0.00 0.00 179.01 180.05 2cry n GLY 73 N -0.31 -1.42 3.26 1.06 0.00 -1.14 -4.53 105.19 102.12 2cry n GLY 73 Ca -0.01 0.65 -0.10 0.00 0.00 0.00 0.00 46.02 46.56 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 0.08 -0.11 1.61 -7.23 0.08 -0.34 120.40 114.49 2cry s VAL 74 Ca 0.00 -1.59 -0.04 0.00 -1.81 0.00 0.00 61.98 58.54 2cry s VAL 74 Cb 0.00 -1.92 0.06 0.00 0.56 0.00 0.00 36.38 35.08 2cry s VAL 74 CO 0.00 -0.37 0.19 -0.63 -0.31 0.00 0.00 175.10 173.98 2cry s ILE 75 N -4.00 -0.30 -0.44 -0.62 1.01 0.65 -1.28 121.20 116.23 2cry s ILE 75 Ca 0.20 0.28 -0.18 0.00 0.00 0.00 0.00 60.65 60.95 2cry s ILE 75 Cb 0.05 -0.37 0.03 0.00 0.01 0.00 0.00 42.46 42.18 2cry s ILE 75 CO 0.01 0.10 0.50 -0.55 0.00 0.00 0.00 174.94 174.99 2cry s SER 76 N 2.32 6.22 -0.16 3.58 0.15 -1.20 0.06 113.70 124.67 2cry s SER 76 Ca 0.03 -0.70 -0.08 0.00 0.70 0.00 0.00 55.95 55.91 2cry s SER 76 Cb -0.12 -2.25 -0.04 0.00 -1.71 0.00 0.00 66.02 61.89 2cry s SER 76 CO -0.07 -0.67 0.10 -0.89 1.20 0.00 0.00 173.24 172.91 2cry s THR 77 N 2.30 5.16 -0.17 6.45 2.01 -0.40 -2.90 115.64 128.09 2cry s THR 77 Ca 0.14 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.23 2cry s THR 77 Cb -0.17 -3.29 0.03 0.00 0.01 0.00 0.00 72.50 69.07 2cry s THR 77 CO 0.14 0.52 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.23 2cry s LEU 78 N -0.19 1.98 0.08 4.42 2.96 -1.20 -0.86 118.68 125.87 2cry s LEU 78 Ca 0.09 -0.66 -0.12 0.00 -0.22 0.00 0.00 54.13 53.22 2cry s LEU 78 Cb -0.12 -1.24 -0.06 0.00 0.50 0.00 0.00 46.19 45.27 2cry s LEU 78 CO 0.01 -0.08 0.43 -0.89 -1.32 0.00 0.00 176.35 174.50 2cry s THR 79 N 1.42 5.04 -0.09 3.68 2.01 -0.29 -2.31 115.64 125.10 2cry s THR 79 Ca 0.03 0.60 0.03 0.00 0.31 0.00 0.00 61.69 62.65 2cry s THR 79 Cb -0.14 -3.68 0.01 0.00 0.01 0.00 0.00 72.50 68.70 2cry s THR 79 CO -0.10 0.33 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.35 2cry s ILE 80 N -1.35 1.62 0.33 1.82 1.01 -1.22 -1.32 121.20 122.09 2cry s ILE 80 Ca 0.32 -0.75 -0.14 0.00 0.00 0.00 0.00 60.65 60.08 2cry s ILE 80 Cb -0.15 -1.44 -0.09 0.00 0.01 0.00 0.00 42.46 40.80 2cry s ILE 80 CO 0.17 0.46 0.74 -0.55 0.00 0.00 0.00 174.94 175.76 2cry s SER 81 N 0.62 6.73 -1.37 3.58 0.15 -1.13 -2.33 113.70 119.95 2cry s SER 81 Ca -0.14 1.25 -0.16 0.00 0.70 0.00 0.00 55.95 57.60 2cry s SER 81 Cb -0.16 -2.36 0.02 0.00 -1.71 0.00 0.00 66.02 61.80 2cry s SER 81 CO 0.04 -0.23 0.37 0.59 1.20 0.00 0.00 173.24 175.21 2cry n ASN 82 N -0.51 -1.64 -4.16 5.45 3.02 -1.26 -4.82 115.26 111.34 2cry n ASN 82 Ca 0.03 -1.25 -0.36 0.00 -0.03 0.00 0.00 54.58 52.98 2cry n ASN 82 Cb 0.53 -1.89 0.06 0.00 -0.61 0.00 0.00 39.78 37.88 2cry n ASN 82 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2cry n ILE 83 N -4.74 0.13 -3.75 2.41 2.08 -1.26 -5.01 119.36 109.22 2cry n ILE 83 Ca -0.22 -0.42 -0.09 0.00 0.56 0.00 0.00 62.75 62.58 2cry n ILE 83 Cb 0.64 -0.20 -0.04 0.00 -0.75 0.00 0.00 39.64 39.28 2cry n ILE 83 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 2cry s VAL 84 N -2.09 0.02 0.40 1.39 -7.23 -1.26 -4.74 120.40 106.89 2cry s VAL 84 Ca 0.47 -0.79 0.09 0.00 -1.81 0.00 0.00 61.98 59.95 2cry s VAL 84 Cb -0.23 -1.61 0.31 0.00 0.56 0.00 0.00 36.38 35.41 2cry s VAL 84 CO 0.76 -0.10 1.97 0.03 -0.31 0.00 0.00 175.10 177.45 2cry h ARG 85 N 2.18 0.57 -0.52 4.82 3.08 -2.03 -2.29 114.38 120.20 2cry h ARG 85 Ca -0.28 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 59.84 2cry h ARG 85 Cb 1.26 -0.13 -0.10 0.00 0.08 0.00 0.00 29.97 31.09 2cry h ARG 85 CO 0.36 0.38 -0.10 0.00 -1.07 0.00 0.00 179.97 179.54 2cry h ALA 86 N 1.66 0.38 -0.95 0.04 0.00 -1.99 -1.24 119.26 117.16 2cry h ALA 86 Ca 0.29 0.19 0.23 0.00 0.00 0.00 0.00 54.91 55.62 2cry h ALA 86 Cb 0.37 0.37 -0.18 0.00 0.00 0.00 0.00 17.79 18.35 2cry h ALA 86 CO -0.09 -0.43 -0.10 -0.25 0.00 0.00 0.00 179.25 178.37 2cry n ASP 87 N -5.34 -0.22 -0.17 0.00 9.92 -0.86 0.11 116.55 119.99 2cry n ASP 87 Ca 0.05 1.62 -0.09 0.00 -0.53 0.00 0.00 54.79 55.84 2cry n ASP 87 Cb 0.28 -0.54 0.01 0.00 -0.64 0.00 0.00 41.12 40.22 2cry n ASP 87 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2cry h PHE 88 N 0.00 0.75 0.00 1.24 0.04 -1.38 -2.42 116.94 115.17 2cry h PHE 88 Ca 0.52 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 61.20 2cry h PHE 88 Cb 0.95 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.87 2cry h PHE 88 CO -0.60 0.65 -0.11 1.96 -0.60 0.00 0.00 178.31 179.61 2cry h GLN 89 N 0.63 0.00 -6.59 1.51 4.20 0.97 -3.42 115.11 112.40 2cry h GLN 89 Ca 0.16 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.35 2cry h GLN 89 Cb 0.24 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 2cry h GLN 89 CO -0.01 0.11 0.22 0.99 -0.67 0.00 0.00 178.83 179.47 2cry s THR 90 N -4.64 4.31 -0.20 -0.54 2.01 0.43 -5.04 115.64 111.97 2cry s THR 90 Ca -0.04 1.76 -0.19 0.00 0.31 0.00 0.00 61.69 63.53 2cry s THR 90 Cb 0.15 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 2cry s THR 90 CO 0.65 0.47 0.56 -0.63 -0.69 0.00 0.00 174.62 174.98 2cry s ILE 91 N -1.21 5.07 0.14 1.82 1.09 -1.26 -4.67 121.20 122.17 2cry s ILE 91 Ca 0.38 1.04 -0.03 0.00 -1.10 0.00 0.00 60.65 60.94 2cry s ILE 91 Cb -0.23 -3.88 -0.05 0.00 -1.06 0.00 0.00 42.46 37.24 2cry s ILE 91 CO 0.27 0.14 0.35 -0.31 -0.10 0.00 0.00 174.94 175.29 2cry s TYR 92 N 1.80 3.48 -0.18 3.97 2.02 -0.75 -3.56 117.35 124.13 2cry s TYR 92 Ca 0.26 0.46 -0.12 0.00 -0.37 0.00 0.00 57.07 57.30 2cry s TYR 92 Cb -0.16 -1.93 0.05 0.00 -0.40 0.00 0.00 41.96 39.52 2cry s TYR 92 CO 0.10 0.45 0.44 -0.80 -1.57 0.00 0.00 175.55 174.17 2cry s ASN 93 N -2.57 -0.52 -0.13 2.29 0.01 0.83 -1.09 114.94 113.75 2cry s ASN 93 Ca 0.39 0.94 0.00 0.00 -0.71 0.00 0.00 52.86 53.48 2cry s ASN 93 Cb -0.12 0.86 -0.01 0.00 0.41 0.00 0.00 41.25 42.39 2cry s ASN 93 CO 0.26 -0.18 -0.14 0.00 -1.51 0.00 0.00 177.10 175.53 2cry s THR 95 N 0.34 1.87 0.09 0.00 2.01 -0.47 -2.51 115.64 116.96 2cry s THR 95 Ca -0.12 -0.90 0.07 0.00 0.31 0.00 0.00 61.69 61.05 2cry s THR 95 Cb -0.16 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 2cry s THR 95 CO 0.06 0.52 -0.13 0.00 -0.69 0.00 0.00 174.62 174.38 2cry s ALA 96 N 0.43 2.83 -0.05 7.40 0.00 -0.81 -1.15 121.76 130.41 2cry s ALA 96 Ca -0.17 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 50.58 2cry s ALA 96 Cb -0.17 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.12 2cry s ALA 96 CO 0.07 0.62 -0.14 -1.58 0.00 0.00 0.00 175.76 174.72 2cry s TRP 97 N -1.13 1.52 0.06 0.00 0.51 0.51 -2.71 118.94 117.70 2cry s TRP 97 Ca 0.19 -0.47 -0.05 0.00 -2.12 0.00 0.00 56.10 53.64 2cry s TRP 97 Cb -0.11 -1.06 -0.02 0.00 -0.81 0.00 0.00 33.47 31.48 2cry s TRP 97 CO 0.11 -0.19 0.09 1.21 -0.51 0.00 0.00 176.95 177.66 2cry s ASN 98 N 0.25 0.24 0.65 2.95 2.47 0.57 0.13 114.94 122.20 2cry s ASN 98 Ca -0.07 -0.70 0.22 0.00 0.42 0.00 0.00 52.86 52.72 2cry s ASN 98 Cb -0.12 0.26 1.14 0.00 -1.45 0.00 0.00 41.25 41.07 2cry s ASN 98 CO 0.02 -0.61 1.63 -1.28 -3.72 0.00 0.00 177.10 173.14 2cry h SER 99 N 3.19 0.00 0.00 -4.21 0.87 -1.95 -0.96 113.55 110.49 2cry h SER 99 Ca -0.33 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.19 2cry h SER 99 Cb 1.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 2cry h SER 99 CO 0.57 0.00 -0.35 -0.26 -0.53 0.00 0.00 176.83 176.26 2cry h PHE 100 N 0.00 0.00 0.00 2.24 -1.00 -1.95 -3.51 116.94 112.72 2cry h PHE 100 Ca 0.08 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.86 2cry h PHE 100 Cb 1.29 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.85 2cry h PHE 100 CO 0.00 0.39 0.00 0.41 -1.61 0.00 0.00 178.31 177.50 2cry n GLY 101 N 1.65 1.86 3.82 -1.45 0.00 -0.36 -4.86 105.19 105.85 2cry n GLY 101 Ca -0.09 0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 2cry n GLY 101 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cry s SER 102 N 2.00 -0.17 0.03 1.61 0.15 -1.26 -0.31 113.70 115.74 2cry s SER 102 Ca 0.00 -0.65 -0.27 0.00 0.70 0.00 0.00 55.95 55.73 2cry s SER 102 Cb 0.00 0.67 0.09 0.00 -1.71 0.00 0.00 66.02 65.06 2cry s SER 102 CO 0.00 -1.26 0.75 -1.81 1.20 0.00 0.00 173.24 172.12 2cry s ASP 103 N -2.99 -0.51 0.04 5.45 1.01 -1.10 -4.72 116.67 113.85 2cry s ASP 103 Ca 0.13 0.21 0.01 0.00 0.71 0.00 0.00 52.55 53.62 2cry s ASP 103 Cb -0.04 0.49 -0.02 0.00 1.01 0.00 0.00 42.92 44.35 2cry s ASP 103 CO 0.06 -0.72 -0.06 -0.89 0.21 0.00 0.00 175.17 173.78 2cry s THR 104 N -2.67 0.40 0.00 -1.27 2.01 -1.26 -1.92 115.64 110.93 2cry s THR 104 Ca -0.01 -1.08 0.01 0.00 0.31 0.00 0.00 61.69 60.91 2cry s THR 104 Cb -0.01 -0.57 -0.00 0.00 0.01 0.00 0.00 72.50 71.93 2cry s THR 104 CO -0.05 -0.46 -0.02 -0.70 -0.69 0.00 0.00 174.62 172.70 2cry s GLU 105 N -1.71 0.19 -0.14 4.92 2.56 -1.04 -4.94 118.70 118.53 2cry s GLU 105 Ca -0.10 -0.13 -0.14 0.00 0.00 0.00 0.00 54.97 54.60 2cry s GLU 105 Cb -0.09 -0.14 -0.05 0.00 2.00 0.00 0.00 34.13 35.85 2cry s GLU 105 CO -0.01 0.04 0.30 0.42 -0.56 0.00 0.00 175.26 175.45 2cry s ILE 106 N -0.19 5.29 -0.07 -3.70 1.01 -1.26 -2.66 121.20 119.61 2cry s ILE 106 Ca -0.01 0.57 0.01 0.00 0.00 0.00 0.00 60.65 61.22 2cry s ILE 106 Cb -0.02 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.84 2cry s ILE 106 CO -0.00 0.42 -0.09 -0.63 0.00 0.00 0.00 174.94 174.64 2cry s ILE 107 N 0.22 0.96 -0.91 2.92 1.09 -0.25 -5.01 121.20 120.22 2cry s ILE 107 Ca 0.17 -0.34 -0.02 0.00 -1.10 0.00 0.00 60.65 59.36 2cry s ILE 107 Cb -0.13 -0.92 0.22 0.00 -1.06 0.00 0.00 42.46 40.57 2cry s ILE 107 CO 0.05 0.33 0.80 -0.13 -0.10 0.00 0.00 174.94 175.89 2cry s ARG 108 N 0.98 3.34 0.72 2.79 1.81 -1.26 -1.81 118.95 125.52 2cry s ARG 108 Ca -0.09 -3.26 -0.16 0.00 -1.72 0.00 0.00 55.73 50.50 2cry s ARG 108 Cb -0.15 -4.00 -0.04 0.00 -0.45 0.00 0.00 34.95 30.31 2cry s ARG 108 CO 0.00 -1.26 0.48 -0.11 -0.68 0.00 0.00 175.30 173.73 2cry n LEU 109 N 2.38 0.53 -3.46 2.53 7.94 -1.26 -5.02 117.00 120.64 2cry n LEU 109 Ca 0.21 0.58 -0.12 0.00 -1.11 0.00 0.00 56.01 55.58 2cry n LEU 109 Cb 0.37 -1.19 -0.03 0.00 0.53 0.00 0.00 43.42 43.10 2cry n LEU 109 CO 0.37 -3.23 0.36 -0.54 -1.11 0.00 0.00 177.39 173.24 2cry s LYS 110 N -2.69 1.23 -1.10 1.96 1.02 -1.26 -4.40 119.74 114.50 2cry s LYS 110 Ca 0.65 -0.46 -0.25 0.00 0.02 0.00 0.00 55.97 55.92 2cry s LYS 110 Cb -0.35 0.56 -0.15 0.00 -0.52 0.00 0.00 37.83 37.37 2cry s LYS 110 CO 0.59 -0.52 2.05 -2.00 -0.92 0.00 0.00 175.35 174.55 2cry s GLU 111 N -3.59 1.85 -1.34 1.68 2.12 -1.26 -3.46 118.70 114.70 2cry s GLU 111 Ca 0.01 -0.68 -0.17 0.00 0.36 0.00 0.00 54.97 54.49 2cry s GLU 111 Cb -0.00 -5.08 0.17 0.00 0.26 0.00 0.00 34.13 29.47 2cry s GLU 111 CO -0.11 -4.66 0.42 0.00 -0.54 0.00 0.00 175.26 170.37 2cry n GLN 112 N 8.31 -0.92 -0.99 4.30 10.64 -1.26 -4.69 117.38 132.77 2cry n GLN 112 Ca 0.43 0.10 -0.33 0.00 -1.83 0.00 0.00 57.00 55.37 2cry n GLN 112 Cb 0.46 -3.62 -0.01 0.00 -0.86 0.00 0.00 30.24 26.22 2cry n GLN 112 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2cry n GLY 113 N -0.89 -1.74 0.19 2.61 0.00 -1.26 -4.92 105.19 99.18 2cry n GLY 113 Ca 0.08 0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 2cry n GLY 113 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cry n SER 114 N 1.63 1.84 -4.47 1.61 7.64 -1.26 -4.80 113.62 115.81 2cry n SER 114 Ca 0.10 0.32 -0.43 0.00 1.01 0.00 0.00 58.87 59.87 2cry n SER 114 Cb 0.25 -0.75 -0.03 0.00 -1.01 0.00 0.00 64.21 62.67 2cry n SER 114 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2cry s GLU 115 N -2.55 3.56 -0.29 1.43 -1.05 -1.26 -4.91 118.70 113.63 2cry s GLU 115 Ca -0.34 -1.56 -0.22 0.00 -0.15 0.00 0.00 54.97 52.69 2cry s GLU 115 Cb 0.12 -4.95 0.15 0.00 -0.44 0.00 0.00 34.13 29.01 2cry s GLU 115 CO 0.45 -1.86 1.12 1.41 0.95 0.00 0.00 175.26 177.33 2cry s MET 116 N 3.24 0.35 -1.62 -4.83 1.75 -1.26 -4.97 119.30 111.95 2cry s MET 116 Ca 0.34 0.47 -0.09 0.00 -1.25 0.00 0.00 55.69 55.16 2cry s MET 116 Cb -0.05 0.15 0.08 0.00 2.84 0.00 0.00 34.83 37.85 2cry s MET 116 CO -0.08 -0.05 0.39 0.45 -0.65 0.00 0.00 175.02 175.08 2cry n SER 117 N 2.46 -0.82 -4.86 1.11 2.88 -1.26 -4.91 113.62 108.22 2cry n SER 117 Ca -0.14 -1.15 -0.34 0.00 -1.33 0.00 0.00 58.87 55.91 2cry n SER 117 Cb 0.56 -2.18 -0.06 0.00 -0.75 0.00 0.00 64.21 61.79 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 -3.91 2.39 0.18 0.46 0.00 -1.26 -4.97 107.32 100.20 2cry s GLY 118 Ca 0.34 -0.24 0.21 0.00 0.00 0.00 0.00 44.72 45.02 2cry s GLY 118 CO 0.97 -0.01 1.63 -1.55 0.00 0.00 0.00 173.10 174.14 2cry n PRO 119 N 0.64 0.13 -3.87 2.90 -0.04 -1.26 -4.70 135.00 128.80 2cry n PRO 119 Ca -0.05 0.38 -0.36 0.00 -0.04 0.00 0.00 63.50 63.43 2cry n PRO 119 Cb 0.52 -1.76 -0.06 0.00 -0.04 0.00 0.00 33.50 32.16 2cry n PRO 119 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cry s SER 120 N -3.86 6.40 1.14 3.54 0.15 -1.26 -5.10 113.70 114.70 2cry s SER 120 Ca 0.05 0.45 -0.17 0.00 0.70 0.00 0.00 55.95 56.98 2cry s SER 120 Cb 0.09 -2.06 0.25 0.00 -1.71 0.00 0.00 66.02 62.60 2cry s SER 120 CO 0.35 0.36 1.10 -0.44 1.20 0.00 0.00 173.24 175.80 2cry s SER 121 N -1.33 1.47 0.00 5.45 0.01 -1.26 -5.09 113.70 112.94 2cry s SER 121 Ca 0.19 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.29 2cry s SER 121 Cb -0.12 -1.25 0.00 0.00 0.21 0.00 0.00 66.02 64.86 2cry s SER 121 CO 0.09 -3.81 0.00 0.61 0.41 0.00 0.00 173.24 170.54