#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cre n SER 2 N 0.00 3.57 -4.30 1.61 2.88 -1.26 -4.98 113.62 111.14 2cre n SER 2 Ca 0.00 1.01 -0.23 0.00 -1.33 0.00 0.00 58.87 58.33 2cre n SER 2 Cb 0.00 -1.46 -0.12 0.00 -0.75 0.00 0.00 64.21 61.89 2cre n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cre s SER 3 N 2.57 2.56 0.00 -3.46 1.04 -1.26 -5.01 113.70 110.14 2cre s SER 3 Ca 0.84 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 56.51 2cre s SER 3 Cb -0.61 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.37 2cre s SER 3 CO 0.42 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.25 2cre n GLY 4 N 0.72 -0.47 2.73 7.32 0.00 -1.26 -5.14 105.19 109.10 2cre n GLY 4 Ca -0.17 0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 2cre n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cre n SER 5 N -2.22 -3.75 -4.13 1.61 2.88 -1.26 -4.99 113.62 101.77 2cre n SER 5 Ca 0.00 0.45 -0.16 0.00 -1.33 0.00 0.00 58.87 57.83 2cre n SER 5 Cb 0.00 -0.71 -0.12 0.00 -0.75 0.00 0.00 64.21 62.64 2cre n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cre s SER 6 N -0.86 1.30 -0.26 -3.46 0.01 -1.26 -5.13 113.70 104.03 2cre s SER 6 Ca 0.45 -0.61 0.01 0.00 1.31 0.00 0.00 55.95 57.10 2cre s SER 6 Cb -0.35 -0.01 0.07 0.00 0.21 0.00 0.00 66.02 65.95 2cre s SER 6 CO 0.61 -0.15 -0.02 -0.83 0.41 0.00 0.00 173.24 173.26 2cre s GLY 7 N -1.76 1.35 0.52 3.44 0.00 -1.26 -4.56 107.32 105.04 2cre s GLY 7 Ca -0.04 -1.54 0.02 0.00 0.00 0.00 0.00 44.72 43.15 2cre s GLY 7 CO 0.01 1.01 0.73 1.08 0.00 0.00 0.00 173.10 175.93 2cre s LEU 8 N 1.36 3.38 -0.06 0.66 2.01 0.88 -4.89 118.68 122.02 2cre s LEU 8 Ca -0.02 -0.04 0.04 0.00 0.01 0.00 0.00 54.13 54.13 2cre s LEU 8 Cb -0.19 -2.87 -0.00 0.00 0.01 0.00 0.00 46.19 43.14 2cre s LEU 8 CO -0.09 -1.02 -0.20 -0.76 1.01 0.00 0.00 176.35 175.29 2cre s LEU 9 N -4.67 1.95 0.01 1.79 1.43 -1.26 0.83 118.68 118.75 2cre s LEU 9 Ca 0.56 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 2cre s LEU 9 Cb -0.10 -1.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.98 2cre s LEU 9 CO 0.37 0.16 -0.07 0.00 0.23 0.00 0.00 176.35 177.05 2cre s ALA 10 N 0.12 0.53 0.51 4.21 0.00 0.69 -3.33 121.76 124.49 2cre s ALA 10 Ca -0.08 -0.38 -0.04 0.00 0.00 0.00 0.00 51.96 51.46 2cre s ALA 10 Cb -0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 2cre s ALA 10 CO 0.04 0.09 0.79 0.50 0.00 0.00 0.00 175.76 177.18 2cre s ARG 11 N -0.48 3.18 -0.43 0.00 3.52 -0.48 0.11 118.95 124.38 2cre s ARG 11 Ca -0.00 -0.08 -0.05 0.00 -0.13 0.00 0.00 55.73 55.46 2cre s ARG 11 Cb -0.04 -2.40 0.11 0.00 -1.56 0.00 0.00 34.95 31.07 2cre s ARG 11 CO -0.00 -0.39 0.25 0.00 -0.81 0.00 0.00 175.30 174.35 2cre s ALA 12 N -2.77 3.24 -0.95 6.12 0.00 -1.12 -1.01 121.76 125.28 2cre s ALA 12 Ca 0.50 -2.54 0.17 0.00 0.00 0.00 0.00 51.96 50.09 2cre s ALA 12 Cb -0.10 -2.55 0.72 0.00 0.00 0.00 0.00 23.12 21.19 2cre s ALA 12 CO 0.43 -1.84 1.54 1.28 0.00 0.00 0.00 175.76 177.17 2cre n LEU 13 N 4.70 0.07 -3.57 0.00 4.77 -1.02 -2.77 117.00 119.17 2cre n LEU 13 Ca -0.04 0.52 -0.16 0.00 -0.03 0.00 0.00 56.01 56.30 2cre n LEU 13 Cb 0.41 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.93 2cre n LEU 13 CO 0.36 -0.25 0.46 -0.31 -1.33 0.00 0.00 177.39 176.33 2cre s TYR 14 N -3.03 -0.69 0.48 -1.77 2.02 -1.25 -4.92 117.35 108.18 2cre s TYR 14 Ca 0.08 1.44 -0.22 0.00 -0.37 0.00 0.00 57.07 57.99 2cre s TYR 14 Cb 0.11 0.35 -0.07 0.00 -0.40 0.00 0.00 41.96 41.95 2cre s TYR 14 CO 0.31 -0.48 1.16 0.16 -1.57 0.00 0.00 175.55 175.13 2cre s ASP 15 N -0.47 6.04 -0.14 2.29 1.47 -1.26 -4.37 116.67 120.23 2cre s ASP 15 Ca -0.05 2.29 -0.00 0.00 1.18 0.00 0.00 52.55 55.96 2cre s ASP 15 Cb -0.02 -2.60 -0.01 0.00 -0.34 0.00 0.00 42.92 39.95 2cre s ASP 15 CO 0.05 -1.00 -0.14 0.21 0.68 0.00 0.00 175.17 174.97 2cre s ASN 16 N -1.45 3.90 -0.87 2.11 2.47 0.88 -4.90 114.94 117.08 2cre s ASN 16 Ca 0.66 -0.38 -0.03 0.00 0.42 0.00 0.00 52.86 53.53 2cre s ASN 16 Cb -0.28 -1.60 0.22 0.00 -1.45 0.00 0.00 41.25 38.14 2cre s ASN 16 CO 0.33 0.13 0.76 0.00 -3.72 0.00 0.00 177.10 174.60 2cre s PRO 18 N -1.04 1.54 -0.11 0.00 0.04 -1.26 -5.00 135.00 129.16 2cre s PRO 18 Ca 0.25 0.92 0.18 0.00 0.04 0.00 0.00 61.00 62.40 2cre s PRO 18 Cb -0.10 -1.83 0.43 0.00 0.04 0.00 0.00 34.50 33.03 2cre s PRO 18 CO -0.10 -2.07 1.20 -0.25 0.04 0.00 0.00 177.00 175.81 2cre n ASP 19 N -3.78 1.42 -2.23 6.66 8.00 -1.26 -5.04 116.55 120.31 2cre n ASP 19 Ca 0.08 -3.00 -0.08 0.00 0.71 0.00 0.00 54.79 52.50 2cre n ASP 19 Cb 0.55 -0.42 -0.00 0.00 -0.02 0.00 0.00 41.12 41.22 2cre n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cre n SER 21 N -1.58 1.39 -0.06 0.00 7.64 -1.26 -4.31 113.62 115.44 2cre n SER 21 Ca -0.03 0.23 -0.10 0.00 1.01 0.00 0.00 58.87 59.99 2cre n SER 21 Cb 0.38 -0.30 -0.04 0.00 -1.01 0.00 0.00 64.21 63.24 2cre n SER 21 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2cre h ASP 22 N 0.03 0.28 -3.86 6.43 5.19 -1.97 -3.44 116.42 119.07 2cre h ASP 22 Ca -0.40 -0.12 -0.48 0.00 -0.62 0.00 0.00 57.03 55.41 2cre h ASP 22 Cb 2.04 -0.07 0.18 0.00 0.18 0.00 0.00 39.33 41.66 2cre h ASP 22 CO 0.06 0.32 0.16 -1.61 -3.12 0.00 0.00 179.24 175.06 2cre s GLU 23 N -5.72 0.48 0.06 3.56 8.01 -1.26 -1.19 118.70 122.64 2cre s GLU 23 Ca -0.13 1.02 0.05 0.00 0.01 0.00 0.00 54.97 55.92 2cre s GLU 23 Cb 0.08 -1.70 -0.04 0.00 -4.31 0.00 0.00 34.13 28.16 2cre s GLU 23 CO 0.71 -2.83 -0.08 -1.17 0.01 0.00 0.00 175.26 171.90 2cre s LEU 24 N -6.65 3.14 -0.36 1.80 0.20 0.12 -4.27 118.68 112.66 2cre s LEU 24 Ca 0.66 -0.27 0.00 0.00 0.69 0.00 0.00 54.13 55.22 2cre s LEU 24 Cb -0.22 -1.88 0.09 0.00 -0.43 0.00 0.00 46.19 43.76 2cre s LEU 24 CO 0.60 0.22 0.09 0.00 -0.29 0.00 0.00 176.35 176.97 2cre s ALA 25 N -1.14 2.97 0.26 5.97 0.00 -1.26 -4.39 121.76 124.17 2cre s ALA 25 Ca 0.20 -2.37 0.08 0.00 0.00 0.00 0.00 51.96 49.88 2cre s ALA 25 Cb -0.11 -2.12 -0.05 0.00 0.00 0.00 0.00 23.12 20.84 2cre s ALA 25 CO 0.12 -1.64 -0.12 -0.59 0.00 0.00 0.00 175.76 173.53 2cre s PHE 26 N 1.06 1.99 0.08 0.00 -0.12 -1.23 -4.98 117.98 114.79 2cre s PHE 26 Ca 0.06 -0.56 0.09 0.00 -0.05 0.00 0.00 56.93 56.47 2cre s PHE 26 Cb -0.21 -1.02 -0.03 0.00 -0.63 0.00 0.00 43.02 41.13 2cre s PHE 26 CO -0.05 0.43 -0.25 -1.54 -0.05 0.00 0.00 175.22 173.76 2cre s SER 27 N -3.43 3.01 0.06 1.98 1.04 -1.26 -0.09 113.70 115.01 2cre s SER 27 Ca 0.28 -0.65 -0.37 0.00 0.48 0.00 0.00 55.95 55.68 2cre s SER 27 Cb 0.00 -0.23 -0.18 0.00 0.10 0.00 0.00 66.02 65.71 2cre s SER 27 CO 0.11 0.18 1.12 -1.14 0.98 0.00 0.00 173.24 174.49 2cre n ARG 28 N 1.36 0.46 -0.25 4.02 3.00 -1.26 -2.89 116.66 121.10 2cre n ARG 28 Ca -0.18 0.17 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 2cre n ARG 28 Cb 0.53 -1.67 0.00 0.00 0.00 0.00 0.00 32.46 31.32 2cre n ARG 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2cre n GLY 29 N 1.89 1.75 2.75 5.14 0.00 -1.11 -4.95 105.19 110.65 2cre n GLY 29 Ca 0.19 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 2cre n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cre s ASP 30 N -2.13 1.47 -0.51 1.61 1.11 -1.14 -5.00 116.67 112.08 2cre s ASP 30 Ca 0.00 -0.04 -0.28 0.00 0.18 0.00 0.00 52.55 52.41 2cre s ASP 30 Cb 0.00 -0.36 0.03 0.00 1.07 0.00 0.00 42.92 43.66 2cre s ASP 30 CO 0.00 -0.21 1.10 -0.63 1.18 0.00 0.00 175.17 176.61 2cre s ILE 31 N 2.02 4.22 0.17 0.77 1.09 -1.26 -2.77 121.20 125.44 2cre s ILE 31 Ca 0.05 0.96 -0.27 0.00 -1.10 0.00 0.00 60.65 60.29 2cre s ILE 31 Cb -0.12 -4.60 -0.08 0.00 -1.06 0.00 0.00 42.46 36.60 2cre s ILE 31 CO -0.05 -1.08 0.84 -0.76 -0.10 0.00 0.00 174.94 173.80 2cre s LEU 32 N 4.42 4.59 -0.67 2.97 2.01 0.31 -4.83 118.68 127.48 2cre s LEU 32 Ca 0.43 1.74 -0.20 0.00 0.01 0.00 0.00 54.13 56.11 2cre s LEU 32 Cb -0.08 -3.42 0.10 0.00 0.01 0.00 0.00 46.19 42.80 2cre s LEU 32 CO 0.28 0.15 0.85 -0.89 1.01 0.00 0.00 176.35 177.75 2cre s THR 33 N -0.94 4.67 -0.14 5.49 2.01 -1.25 -0.22 115.64 125.26 2cre s THR 33 Ca 0.39 -0.92 -0.29 0.00 0.31 0.00 0.00 61.69 61.18 2cre s THR 33 Cb -0.24 -4.60 -0.05 0.00 0.01 0.00 0.00 72.50 67.63 2cre s THR 33 CO 0.28 -1.29 1.84 -0.63 -0.69 0.00 0.00 174.62 174.13 2cre s ILE 34 N 3.06 3.36 -0.15 1.82 1.01 0.24 -2.28 121.20 128.27 2cre s ILE 34 Ca 0.18 0.42 -0.20 0.00 0.00 0.00 0.00 60.65 61.05 2cre s ILE 34 Cb -0.18 -3.36 -0.24 0.00 0.01 0.00 0.00 42.46 38.69 2cre s ILE 34 CO 0.05 -0.14 0.45 -0.07 0.00 0.00 0.00 174.94 175.23 2cre h LEU 35 N 12.03 0.16 -7.48 2.97 3.38 -1.02 0.25 115.31 125.61 2cre h LEU 35 Ca -0.40 -0.75 -0.37 0.00 0.09 0.00 0.00 57.88 56.45 2cre h LEU 35 Cb 1.20 -0.05 -0.36 0.00 0.09 0.00 0.00 40.66 41.53 2cre h LEU 35 CO 0.97 1.47 -0.75 -1.83 0.09 0.00 0.00 178.44 178.39 2cre s GLU 36 N -2.39 0.24 0.03 1.13 -1.05 -1.22 -4.47 118.70 110.96 2cre s GLU 36 Ca -0.23 0.18 -0.17 0.00 -0.15 0.00 0.00 54.97 54.60 2cre s GLU 36 Cb 0.04 -0.59 -0.28 0.00 -0.44 0.00 0.00 34.13 32.85 2cre s GLU 36 CO 0.68 -0.24 1.07 1.96 0.95 0.00 0.00 175.26 179.69 2cre h GLN 37 N 7.87 0.55 -6.48 -4.83 7.50 -1.91 -3.23 115.11 114.58 2cre h GLN 37 Ca -0.28 -0.72 -0.57 0.00 0.50 0.00 0.00 58.65 57.59 2cre h GLN 37 Cb 1.13 0.23 -0.05 0.00 0.05 0.00 0.00 27.48 28.84 2cre h GLN 37 CO 0.33 1.31 1.02 -3.38 -1.50 0.00 0.00 178.83 176.61 2cre s HIS 38 N -2.96 2.54 -0.40 2.96 -3.43 -1.26 -4.83 115.29 107.91 2cre s HIS 38 Ca -0.11 0.75 0.01 0.00 -0.80 0.00 0.00 55.06 54.91 2cre s HIS 38 Cb 0.04 -4.17 0.12 0.00 -1.43 0.00 0.00 32.58 27.15 2cre s HIS 38 CO 0.90 -1.82 0.19 0.08 -2.00 0.00 0.00 174.74 172.08 2cre s VAL 39 N 4.96 1.33 0.23 -5.38 1.01 -1.26 -4.97 120.40 116.31 2cre s VAL 39 Ca 0.58 -2.25 -0.00 0.00 0.00 0.00 0.00 61.98 60.31 2cre s VAL 39 Cb -0.14 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 2cre s VAL 39 CO 0.29 -0.82 1.60 1.55 0.00 0.00 0.00 175.10 177.71 2cre h PRO 40 N 7.13 0.49 -0.15 2.72 0.13 -1.96 -3.00 132.00 137.37 2cre h PRO 40 Ca -0.04 -0.26 -0.02 0.00 -0.87 0.00 0.00 66.00 64.81 2cre h PRO 40 Cb 0.96 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 2cre h PRO 40 CO 0.48 0.84 0.01 1.05 -0.23 0.00 0.00 178.00 180.15 2cre h GLU 41 N 0.40 0.20 -2.75 0.86 4.11 -2.01 -3.38 114.58 112.01 2cre h GLU 41 Ca 0.03 -0.02 -0.44 0.00 0.07 0.00 0.00 59.36 59.00 2cre h GLU 41 Cb 0.93 -0.04 -0.39 0.00 0.50 0.00 0.00 28.75 29.75 2cre h GLU 41 CO 0.08 0.21 -0.72 0.45 0.07 0.00 0.00 179.01 179.10 2cre s SER 42 N -6.91 2.47 0.06 3.06 0.15 -1.13 -5.13 113.70 106.27 2cre s SER 42 Ca -0.06 -0.78 -0.31 0.00 0.70 0.00 0.00 55.95 55.51 2cre s SER 42 Cb 0.17 -0.06 -0.06 0.00 -1.71 0.00 0.00 66.02 64.35 2cre s SER 42 CO 0.71 -0.38 1.30 -1.83 1.20 0.00 0.00 173.24 174.23 2cre s GLU 43 N 2.19 4.37 0.00 5.44 -1.05 -1.23 -3.10 118.70 125.32 2cre s GLU 43 Ca 0.06 1.90 0.00 0.00 -0.15 0.00 0.00 54.97 56.78 2cre s GLU 43 Cb -0.16 -3.36 0.00 0.00 -0.44 0.00 0.00 34.13 30.18 2cre s GLU 43 CO -0.22 -0.38 0.00 0.41 0.95 0.00 0.00 175.26 176.02 2cre n GLY 44 N 3.39 0.64 3.14 -3.83 0.00 -1.26 -5.07 105.19 102.20 2cre n GLY 44 Ca 0.11 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 2cre n GLY 44 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2cre s TRP 45 N -2.00 0.85 -0.05 1.61 0.52 -1.18 -3.55 118.94 115.15 2cre s TRP 45 Ca 0.00 -0.77 0.03 0.00 0.02 0.00 0.00 56.10 55.37 2cre s TRP 45 Cb 0.00 -0.49 0.01 0.00 -1.15 0.00 0.00 33.47 31.84 2cre s TRP 45 CO 0.00 -0.12 -0.11 -1.58 0.02 0.00 0.00 176.95 175.16 2cre s TRP 46 N -2.88 1.27 -0.68 -1.98 0.51 0.20 -4.58 118.94 110.80 2cre s TRP 46 Ca 0.05 -0.39 -0.23 0.00 -2.12 0.00 0.00 56.10 53.41 2cre s TRP 46 Cb 0.00 -0.92 0.07 0.00 -0.81 0.00 0.00 33.47 31.81 2cre s TRP 46 CO -0.03 -0.19 1.01 0.21 -0.51 0.00 0.00 176.95 177.44 2cre s LYS 47 N 0.40 3.14 0.44 4.98 2.47 -1.22 0.15 119.74 130.09 2cre s LYS 47 Ca -0.08 -0.81 0.07 0.00 -1.56 0.00 0.00 55.97 53.59 2cre s LYS 47 Cb -0.12 -4.26 -0.02 0.00 -1.46 0.00 0.00 37.83 31.96 2cre s LYS 47 CO 0.02 -1.86 0.31 0.00 0.16 0.00 0.00 175.35 173.98 2cre s LEU 49 N -4.07 1.72 -0.12 0.00 1.98 -0.97 -2.43 118.68 114.80 2cre s LEU 49 Ca 0.43 -0.41 -0.06 0.00 -2.89 0.00 0.00 54.13 51.20 2cre s LEU 49 Cb -0.00 -1.06 0.05 0.00 0.66 0.00 0.00 46.19 45.84 2cre s LEU 49 CO 0.25 0.02 0.28 -0.22 -1.89 0.00 0.00 176.35 174.79 2cre s LEU 50 N 0.91 0.30 -1.56 -0.68 2.96 -1.26 -3.78 118.68 115.56 2cre s LEU 50 Ca -0.09 0.59 -0.18 0.00 -0.22 0.00 0.00 54.13 54.24 2cre s LEU 50 Cb -0.15 0.85 0.17 0.00 0.50 0.00 0.00 46.19 47.56 2cre s LEU 50 CO -0.00 -0.17 0.57 1.41 -1.32 0.00 0.00 176.35 176.84 2cre n HIS 51 N 4.26 -1.48 -3.06 5.38 8.25 -1.26 0.05 115.22 127.37 2cre n HIS 51 Ca -0.25 0.62 -0.13 0.00 -0.26 0.00 0.00 57.72 57.70 2cre n HIS 51 Cb 0.53 -2.17 0.06 0.00 1.12 0.00 0.00 29.99 29.54 2cre n HIS 51 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2cre n GLY 52 N -1.10 -0.12 0.11 -1.41 0.00 -1.26 -4.98 105.19 96.44 2cre n GLY 52 Ca 0.08 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 2cre n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cre n ARG 53 N -3.29 0.55 -3.31 1.61 5.12 0.11 -5.03 116.66 112.41 2cre n ARG 53 Ca -0.16 0.30 -0.16 0.00 -1.93 0.00 0.00 57.85 55.90 2cre n ARG 53 Cb 0.60 -1.51 0.08 0.00 -1.16 0.00 0.00 32.46 30.47 2cre n ARG 53 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2cre n GLN 54 N -4.39 -5.03 -4.68 5.56 6.02 -1.24 -4.94 117.38 108.66 2cre n GLN 54 Ca -0.31 0.82 -0.31 0.00 -0.01 0.00 0.00 57.00 57.20 2cre n GLN 54 Cb 0.65 -5.72 -0.07 0.00 1.02 0.00 0.00 30.24 26.12 2cre n GLN 54 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2cre s GLY 55 N -4.01 2.96 0.62 1.08 0.00 -1.02 -4.95 107.32 102.01 2cre s GLY 55 Ca 0.14 -0.49 -0.05 0.00 0.00 0.00 0.00 44.72 44.33 2cre s GLY 55 CO 0.70 -2.06 0.92 1.08 0.00 0.00 0.00 173.10 173.74 2cre s LEU 56 N -3.79 3.09 -0.11 0.66 1.43 -0.33 -1.12 118.68 118.50 2cre s LEU 56 Ca 0.09 0.47 -0.15 0.00 -1.03 0.00 0.00 54.13 53.51 2cre s LEU 56 Cb 0.01 -3.24 0.04 0.00 0.03 0.00 0.00 46.19 43.03 2cre s LEU 56 CO 0.07 -1.28 0.40 0.00 0.23 0.00 0.00 176.35 175.77 2cre s ALA 57 N -3.04 -1.00 -0.50 4.21 0.00 0.39 0.13 121.76 121.95 2cre s ALA 57 Ca 0.57 0.96 -0.27 0.00 0.00 0.00 0.00 51.96 53.21 2cre s ALA 57 Cb -0.11 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 2cre s ALA 57 CO 0.43 -0.22 1.80 -1.25 0.00 0.00 0.00 175.76 176.53 2cre s PRO 58 N -0.23 2.95 0.53 0.00 0.04 -1.26 0.61 135.00 137.64 2cre s PRO 58 Ca -0.04 0.91 0.27 0.00 0.04 0.00 0.00 61.00 62.18 2cre s PRO 58 Cb -0.03 -4.29 1.46 0.00 0.04 0.00 0.00 34.50 31.68 2cre s PRO 58 CO 0.02 -2.34 1.80 0.00 0.04 0.00 0.00 177.00 176.52 2cre h ALA 59 N 13.89 1.20 0.00 8.56 0.00 -1.89 0.29 119.26 141.31 2cre h ALA 59 Ca -0.29 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 2cre h ALA 59 Cb 1.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2cre h ALA 59 CO 1.14 -0.20 -0.44 -0.97 0.00 0.00 0.00 179.25 178.79 2cre h ASN 60 N 0.00 0.00 -0.51 0.00 -0.73 -1.88 -2.93 115.58 109.53 2cre h ASN 60 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2cre h ASN 60 Cb 0.45 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.04 2cre h ASN 60 CO 0.00 0.44 0.00 0.54 -0.37 0.00 0.00 177.43 178.04 2cre n ARG 61 N -3.54 2.63 -4.08 6.67 1.74 0.10 -4.97 116.66 115.20 2cre n ARG 61 Ca -0.00 -2.33 -0.22 0.00 -0.77 0.00 0.00 57.85 54.53 2cre n ARG 61 Cb 0.55 -1.44 -0.04 0.00 -1.02 0.00 0.00 32.46 30.51 2cre n ARG 61 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2cre s LEU 62 N -1.08 3.93 -0.29 0.55 2.01 -1.07 -2.44 118.68 120.30 2cre s LEU 62 Ca 0.37 -0.16 -0.00 0.00 0.01 0.00 0.00 54.13 54.34 2cre s LEU 62 Cb 0.20 -2.47 0.09 0.00 0.01 0.00 0.00 46.19 44.02 2cre s LEU 62 CO 0.26 -0.03 0.06 -1.58 1.01 0.00 0.00 176.35 176.07 2cre s GLN 63 N -3.80 0.93 -0.05 1.70 0.74 -0.18 -4.88 119.66 114.14 2cre s GLN 63 Ca 0.33 -1.07 -0.30 0.00 0.05 0.00 0.00 55.36 54.37 2cre s GLN 63 Cb -0.08 -2.24 -0.06 0.00 1.10 0.00 0.00 33.01 31.72 2cre s GLN 63 CO 0.26 -0.88 1.80 0.42 -0.55 0.00 0.00 175.29 176.34 2cre s ILE 64 N 1.53 3.36 -0.59 -2.34 -1.09 -1.26 -1.38 121.20 119.43 2cre s ILE 64 Ca 0.06 0.43 -0.05 0.00 -2.23 0.00 0.00 60.65 58.86 2cre s ILE 64 Cb -0.18 -3.30 0.15 0.00 -1.58 0.00 0.00 42.46 37.56 2cre s ILE 64 CO -0.18 -0.06 0.43 -0.76 -1.23 0.00 0.00 174.94 173.14 2cre s LEU 65 N 4.55 5.53 0.23 2.97 1.43 -1.21 -4.98 118.68 127.19 2cre s LEU 65 Ca 0.80 -2.54 0.01 0.00 -1.03 0.00 0.00 54.13 51.37 2cre s LEU 65 Cb -0.36 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 43.89 2cre s LEU 65 CO 0.34 -0.48 0.09 -0.94 0.23 0.00 0.00 176.35 175.59 2cre s SER 66 N 1.42 0.86 0.00 2.29 1.04 -1.26 -4.81 113.70 113.23 2cre s SER 66 Ca 0.14 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.22 2cre s SER 66 Cb -0.20 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.14 2cre s SER 66 CO -0.04 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.05 2cre n GLY 67 N -0.36 3.77 3.76 7.32 0.00 -1.26 -5.15 105.19 113.27 2cre n GLY 67 Ca -0.01 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 2cre n GLY 67 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cre s PRO 68 N 1.18 4.45 -0.35 1.61 0.04 -1.26 -4.96 135.00 135.71 2cre s PRO 68 Ca 0.00 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.80 2cre s PRO 68 Cb 0.00 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.40 2cre s PRO 68 CO 0.00 -0.09 1.40 0.45 0.04 0.00 0.00 177.00 178.80 2cre s SER 69 N -0.38 6.46 -0.16 6.66 0.15 -1.26 -4.94 113.70 120.23 2cre s SER 69 Ca 0.50 1.07 -0.34 0.00 0.70 0.00 0.00 55.95 57.87 2cre s SER 69 Cb -0.37 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 61.54 2cre s SER 69 CO 0.46 -1.29 1.21 -0.94 1.20 0.00 0.00 173.24 173.87 2cre s SER 70 N 3.59 -0.13 0.00 5.45 1.04 -1.26 -5.37 113.70 117.01 2cre s SER 70 Ca 0.61 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 57.02 2cre s SER 70 Cb -0.16 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.11 2cre s SER 70 CO 0.29 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.86