#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cre s SER 2 N 0.00 6.48 0.12 1.61 0.01 -1.26 -4.99 113.70 115.68 2cre s SER 2 Ca 0.00 2.64 0.06 0.00 1.31 0.00 0.00 55.95 59.96 2cre s SER 2 Cb 0.00 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 2cre s SER 2 CO 0.00 -1.01 -0.03 -0.94 0.41 0.00 0.00 173.24 171.67 2cre s SER 3 N 3.54 4.73 -0.32 2.44 1.04 -1.26 -5.11 113.70 118.77 2cre s SER 3 Ca 0.83 -0.32 -0.07 0.00 0.48 0.00 0.00 55.95 56.86 2cre s SER 3 Cb -0.42 -1.01 0.02 0.00 0.10 0.00 0.00 66.02 64.70 2cre s SER 3 CO 0.38 0.15 0.11 -0.83 0.98 0.00 0.00 173.24 174.02 2cre s GLY 4 N -2.50 1.82 -0.47 7.32 0.00 -1.26 -4.97 107.32 107.26 2cre s GLY 4 Ca 0.25 -1.55 0.04 0.00 0.00 0.00 0.00 44.72 43.46 2cre s GLY 4 CO 0.17 0.71 1.44 -1.26 0.00 0.00 0.00 173.10 174.16 2cre n SER 5 N 4.88 5.76 0.13 1.64 2.88 -1.26 -4.80 113.62 122.85 2cre n SER 5 Ca -0.14 -3.76 -0.13 0.00 -1.33 0.00 0.00 58.87 53.51 2cre n SER 5 Cb 0.47 -0.59 -0.07 0.00 -0.75 0.00 0.00 64.21 63.28 2cre n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2cre h SER 6 N 2.33 -0.36 -6.15 -3.46 0.02 -1.93 -3.47 113.55 100.53 2cre h SER 6 Ca 0.43 0.03 -0.36 0.00 -0.84 0.00 0.00 61.79 61.05 2cre h SER 6 Cb 1.07 0.12 0.02 0.00 0.14 0.00 0.00 62.40 63.74 2cre h SER 6 CO 1.03 -0.22 -1.11 0.61 -1.14 0.00 0.00 176.83 176.00 2cre n GLY 7 N -1.26 0.18 3.97 -3.77 0.00 -1.26 -4.95 105.19 98.09 2cre n GLY 7 Ca -0.08 1.04 -0.23 0.00 0.00 0.00 0.00 46.02 46.75 2cre n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cre s LEU 8 N -2.20 3.07 -0.02 0.99 2.01 -0.83 -4.93 118.68 116.78 2cre s LEU 8 Ca 0.35 0.02 0.04 0.00 0.01 0.00 0.00 54.13 54.54 2cre s LEU 8 Cb -0.04 -2.68 -0.01 0.00 0.01 0.00 0.00 46.19 43.48 2cre s LEU 8 CO 0.78 -1.48 -0.13 -0.76 1.01 0.00 0.00 176.35 175.78 2cre s LEU 9 N -5.01 1.96 -0.02 1.79 1.43 -1.26 -1.48 118.68 116.09 2cre s LEU 9 Ca 0.61 -0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 53.44 2cre s LEU 9 Cb -0.09 -0.70 0.00 0.00 0.03 0.00 0.00 46.19 45.44 2cre s LEU 9 CO 0.42 0.14 0.05 0.00 0.23 0.00 0.00 176.35 177.19 2cre s ALA 10 N -0.15 -0.13 0.55 4.21 0.00 -0.43 -3.07 121.76 122.74 2cre s ALA 10 Ca 0.02 0.06 -0.05 0.00 0.00 0.00 0.00 51.96 51.99 2cre s ALA 10 Cb -0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.00 2cre s ALA 10 CO 0.00 -0.05 0.84 0.50 0.00 0.00 0.00 175.76 177.05 2cre s ARG 11 N -0.23 3.04 -0.44 0.00 3.52 -0.09 0.92 118.95 125.67 2cre s ARG 11 Ca -0.03 -0.06 -0.06 0.00 -0.13 0.00 0.00 55.73 55.45 2cre s ARG 11 Cb -0.02 -2.34 0.12 0.00 -1.56 0.00 0.00 34.95 31.15 2cre s ARG 11 CO 0.00 -0.55 0.27 0.00 -0.81 0.00 0.00 175.30 174.22 2cre s ALA 12 N -2.87 3.27 -0.54 6.12 0.00 -1.17 -1.34 121.76 125.23 2cre s ALA 12 Ca 0.52 -2.54 0.25 0.00 0.00 0.00 0.00 51.96 50.18 2cre s ALA 12 Cb -0.10 -2.61 0.94 0.00 0.00 0.00 0.00 23.12 21.34 2cre s ALA 12 CO 0.44 -1.85 1.74 1.28 0.00 0.00 0.00 175.76 177.36 2cre n LEU 13 N 4.74 0.74 -3.61 0.00 4.77 -1.00 -2.32 117.00 120.32 2cre n LEU 13 Ca -0.05 0.64 -0.15 0.00 -0.03 0.00 0.00 56.01 56.43 2cre n LEU 13 Cb 0.41 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.93 2cre n LEU 13 CO 0.38 -0.46 0.40 -0.31 -1.33 0.00 0.00 177.39 176.08 2cre s TYR 14 N -3.26 -0.74 1.10 -1.77 2.02 -1.25 -4.88 117.35 108.56 2cre s TYR 14 Ca 0.06 1.69 -0.13 0.00 -0.37 0.00 0.00 57.07 58.33 2cre s TYR 14 Cb 0.10 0.29 0.25 0.00 -0.40 0.00 0.00 41.96 42.20 2cre s TYR 14 CO 0.46 -0.42 1.05 0.16 -1.57 0.00 0.00 175.55 175.23 2cre s ASP 15 N -0.00 1.63 -0.02 2.29 -4.77 -1.26 -4.41 116.67 110.13 2cre s ASP 15 Ca -0.03 1.40 -0.00 0.00 -3.30 0.00 0.00 52.55 50.63 2cre s ASP 15 Cb -0.04 -2.14 0.03 0.00 -1.09 0.00 0.00 42.92 39.68 2cre s ASP 15 CO 0.03 -3.78 0.03 0.21 0.70 0.00 0.00 175.17 172.36 2cre s ASN 16 N -2.89 0.06 -0.79 2.11 2.47 0.23 -4.89 114.94 111.25 2cre s ASN 16 Ca 0.67 0.05 -0.06 0.00 0.42 0.00 0.00 52.86 53.94 2cre s ASN 16 Cb -0.22 -0.05 0.20 0.00 -1.45 0.00 0.00 41.25 39.72 2cre s ASN 16 CO 0.62 -0.12 0.66 0.00 -3.72 0.00 0.00 177.10 174.54 2cre s PRO 18 N -0.48 4.26 0.36 0.00 0.04 -1.26 -4.91 135.00 133.01 2cre s PRO 18 Ca 0.21 2.02 0.18 0.00 0.04 0.00 0.00 61.00 63.46 2cre s PRO 18 Cb -0.14 -3.63 0.61 0.00 0.04 0.00 0.00 34.50 31.38 2cre s PRO 18 CO -0.07 -0.64 1.70 0.22 0.04 0.00 0.00 177.00 178.25 2cre h ASP 19 N 8.11 0.00 -4.24 6.66 3.58 -1.95 -3.46 116.42 125.13 2cre h ASP 19 Ca -0.38 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 56.70 2cre h ASP 19 Cb 1.18 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.08 2cre h ASP 19 CO 0.92 0.40 -0.62 0.00 -2.88 0.00 0.00 179.24 177.05 2cre h SER 21 N 2.37 0.09 -0.78 0.00 0.02 -2.02 -2.96 113.55 110.27 2cre h SER 21 Ca -0.39 -0.00 0.10 0.00 -0.84 0.00 0.00 61.79 60.66 2cre h SER 21 Cb 1.24 -0.02 -0.12 0.00 0.14 0.00 0.00 62.40 63.64 2cre h SER 21 CO 0.63 0.07 -0.49 0.44 -1.14 0.00 0.00 176.83 176.34 2cre h ASP 22 N 0.11 -1.73 -4.45 3.07 5.19 -1.96 -3.41 116.42 113.24 2cre h ASP 22 Ca 0.03 0.29 -0.49 0.00 -0.62 0.00 0.00 57.03 56.24 2cre h ASP 22 Cb -0.00 0.79 0.09 0.00 0.18 0.00 0.00 39.33 40.39 2cre h ASP 22 CO -0.01 -0.30 0.40 -1.61 -3.12 0.00 0.00 179.24 174.60 2cre s GLU 23 N -5.74 2.60 0.25 3.56 2.02 -1.12 -1.12 118.70 119.16 2cre s GLU 23 Ca -0.13 0.46 0.03 0.00 0.02 0.00 0.00 54.97 55.35 2cre s GLU 23 Cb 0.14 -1.99 -0.03 0.00 0.10 0.00 0.00 34.13 32.34 2cre s GLU 23 CO 0.66 -1.22 0.40 -1.17 0.02 0.00 0.00 175.26 173.94 2cre s LEU 24 N -5.47 4.25 -0.30 1.80 0.20 0.29 -4.36 118.68 115.08 2cre s LEU 24 Ca 0.59 0.19 0.03 0.00 0.69 0.00 0.00 54.13 55.63 2cre s LEU 24 Cb -0.12 -2.99 0.08 0.00 -0.43 0.00 0.00 46.19 42.74 2cre s LEU 24 CO 0.52 -0.10 -0.03 0.00 -0.29 0.00 0.00 176.35 176.45 2cre s ALA 25 N -2.02 2.74 0.08 5.97 0.00 -1.26 -4.12 121.76 123.15 2cre s ALA 25 Ca 0.36 -2.15 0.01 0.00 0.00 0.00 0.00 51.96 50.18 2cre s ALA 25 Cb -0.09 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 2cre s ALA 25 CO 0.30 -1.44 -0.06 -0.59 0.00 0.00 0.00 175.76 173.97 2cre s PHE 26 N 1.01 0.78 -0.02 0.00 -0.71 -1.24 -5.00 117.98 112.80 2cre s PHE 26 Ca 0.01 -0.90 0.08 0.00 -1.04 0.00 0.00 56.93 55.08 2cre s PHE 26 Cb -0.20 -0.47 -0.02 0.00 -1.21 0.00 0.00 43.02 41.12 2cre s PHE 26 CO -0.06 -0.19 -0.25 -1.12 -1.34 0.00 0.00 175.22 172.25 2cre s SER 27 N -2.84 3.15 -0.35 1.98 0.01 -1.26 -0.60 113.70 113.79 2cre s SER 27 Ca 0.08 -0.45 -0.40 0.00 1.31 0.00 0.00 55.95 56.49 2cre s SER 27 Cb 0.04 -0.38 -0.17 0.00 0.21 0.00 0.00 66.02 65.71 2cre s SER 27 CO -0.05 0.32 1.30 -1.14 0.41 0.00 0.00 173.24 174.08 2cre n ARG 28 N 2.38 0.00 0.00 12.44 3.00 -1.26 -3.05 116.66 130.17 2cre n ARG 28 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.69 2cre n ARG 28 Cb 0.51 -1.30 0.00 0.00 0.00 0.00 0.00 32.46 31.67 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 3.06 1.94 2.68 5.14 0.00 -0.98 -4.94 105.19 112.08 2cre n GLY 29 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.00 1.27 -0.36 1.61 1.11 -1.17 -4.98 116.67 112.15 2cre s ASP 30 Ca 0.00 0.01 -0.29 0.00 0.18 0.00 0.00 52.55 52.45 2cre s ASP 30 Cb 0.00 -0.18 0.00 0.00 1.07 0.00 0.00 42.92 43.81 2cre s ASP 30 CO 0.00 -0.25 1.37 -0.63 1.18 0.00 0.00 175.17 176.84 2cre s ILE 31 N 2.15 4.00 -0.06 0.77 1.09 -1.26 -3.06 121.20 124.82 2cre s ILE 31 Ca 0.05 1.07 -0.23 0.00 -1.10 0.00 0.00 60.65 60.44 2cre s ILE 31 Cb -0.12 -4.17 -0.04 0.00 -1.06 0.00 0.00 42.46 37.07 2cre s ILE 31 CO -0.04 -0.62 0.69 -0.76 -0.10 0.00 0.00 174.94 174.11 2cre s LEU 32 N 4.96 4.33 -0.68 2.97 2.01 0.26 -4.86 118.68 127.68 2cre s LEU 32 Ca 0.59 1.19 -0.24 0.00 0.01 0.00 0.00 54.13 55.68 2cre s LEU 32 Cb -0.15 -3.06 0.06 0.00 0.01 0.00 0.00 46.19 43.04 2cre s LEU 32 CO 0.28 -0.09 1.06 -0.89 1.01 0.00 0.00 176.35 177.72 2cre s THR 33 N 0.66 4.15 -0.16 5.49 2.01 -1.25 -1.32 115.64 125.23 2cre s THR 33 Ca 0.37 -0.11 -0.29 0.00 0.31 0.00 0.00 61.69 61.96 2cre s THR 33 Cb -0.18 -4.75 -0.04 0.00 0.01 0.00 0.00 72.50 67.54 2cre s THR 33 CO 0.18 -1.56 1.72 -0.63 -0.69 0.00 0.00 174.62 173.64 2cre s ILE 34 N 4.55 3.53 -0.08 1.82 1.01 -0.55 -1.92 121.20 129.57 2cre s ILE 34 Ca 0.26 0.61 -0.12 0.00 0.00 0.00 0.00 60.65 61.40 2cre s ILE 34 Cb -0.14 -3.51 -0.29 0.00 0.01 0.00 0.00 42.46 38.53 2cre s ILE 34 CO 0.12 -0.18 0.58 -0.07 0.00 0.00 0.00 174.94 175.39 2cre h LEU 35 N 11.62 0.51 -7.22 2.97 3.38 -1.26 -2.20 115.31 123.11 2cre h LEU 35 Ca -0.37 -0.91 -0.23 0.00 0.09 0.00 0.00 57.88 56.45 2cre h LEU 35 Cb 1.18 -0.17 -0.33 0.00 0.09 0.00 0.00 40.66 41.43 2cre h LEU 35 CO 0.98 1.75 -0.55 -1.83 0.09 0.00 0.00 178.44 178.88 2cre s GLU 36 N -2.54 0.12 0.09 1.13 -1.05 -1.23 -4.62 118.70 110.60 2cre s GLU 36 Ca -0.18 0.70 -0.12 0.00 -0.15 0.00 0.00 54.97 55.22 2cre s GLU 36 Cb 0.05 -0.09 -0.19 0.00 -0.44 0.00 0.00 34.13 33.47 2cre s GLU 36 CO 0.81 -0.29 1.25 1.96 0.95 0.00 0.00 175.26 179.94 2cre h GLN 37 N 8.26 0.71 -6.61 -4.83 4.20 -1.91 -3.25 115.11 111.66 2cre h GLN 37 Ca -0.15 -0.69 -0.56 0.00 0.06 0.00 0.00 58.65 57.31 2cre h GLN 37 Cb 1.12 0.18 -0.07 0.00 0.30 0.00 0.00 27.48 29.01 2cre h GLN 37 CO 0.15 1.28 0.93 -1.58 -0.67 0.00 0.00 178.83 178.93 2cre s HIS 38 N -3.47 2.82 -0.39 2.96 2.46 -1.26 -4.83 115.29 113.57 2cre s HIS 38 Ca -0.09 0.80 0.02 0.00 0.47 0.00 0.00 55.06 56.25 2cre s HIS 38 Cb 0.08 -4.28 0.12 0.00 -0.13 0.00 0.00 32.58 28.36 2cre s HIS 38 CO 0.91 -1.28 0.18 0.08 -2.47 0.00 0.00 174.74 172.15 2cre s VAL 39 N 4.43 1.40 -0.34 0.89 1.01 -1.26 -4.96 120.40 121.57 2cre s VAL 39 Ca 0.49 -2.22 0.26 0.00 0.00 0.00 0.00 61.98 60.51 2cre s VAL 39 Cb -0.09 -2.00 0.28 0.00 0.00 0.00 0.00 36.38 34.57 2cre s VAL 39 CO 0.29 -0.79 1.78 1.55 0.00 0.00 0.00 175.10 177.92 2cre h PRO 40 N 7.22 0.00 0.00 2.72 0.13 -1.96 -2.75 132.00 137.36 2cre h PRO 40 Ca -0.06 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.89 2cre h PRO 40 Cb 0.96 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.07 2cre h PRO 40 CO 0.49 0.00 -0.87 0.93 -0.23 0.00 0.00 178.00 178.33 2cre h GLU 41 N 0.00 0.00 -3.16 0.86 5.08 -2.00 -3.43 114.58 111.92 2cre h GLU 41 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 2cre h GLU 41 Cb 0.39 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.26 2cre h GLU 41 CO 0.00 0.87 -0.70 -1.12 -1.00 0.00 0.00 179.01 177.05 2cre s SER 42 N -6.70 1.18 -0.34 1.42 0.01 -1.03 -5.12 113.70 103.12 2cre s SER 42 Ca 0.01 0.06 -0.29 0.00 1.31 0.00 0.00 55.95 57.04 2cre s SER 42 Cb 0.10 0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.36 2cre s SER 42 CO 0.80 -0.27 1.10 -1.83 0.41 0.00 0.00 173.24 173.46 2cre s GLU 43 N 2.21 4.01 0.00 12.44 4.04 -1.26 -3.44 118.70 136.71 2cre s GLU 43 Ca 0.04 1.03 0.00 0.00 0.04 0.00 0.00 54.97 56.08 2cre s GLU 43 Cb -0.13 -3.77 0.00 0.00 0.02 0.00 0.00 34.13 30.25 2cre s GLU 43 CO -0.05 -0.98 0.00 0.41 -1.84 0.00 0.00 175.26 172.80 2cre n GLY 44 N 4.03 1.16 3.10 -3.83 0.00 -1.26 -5.09 105.19 103.30 2cre n GLY 44 Ca 0.12 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.15 0.67 -0.03 1.61 0.52 -1.22 -3.18 118.94 115.16 2cre s TRP 45 Ca 0.00 -0.77 0.03 0.00 0.02 0.00 0.00 56.10 55.38 2cre s TRP 45 Cb 0.00 -0.41 0.00 0.00 -1.15 0.00 0.00 33.47 31.91 2cre s TRP 45 CO 0.00 -0.18 -0.13 -1.58 0.02 0.00 0.00 176.95 175.08 2cre s TRP 46 N -2.71 1.30 -0.77 -1.98 0.51 0.17 -4.61 118.94 110.85 2cre s TRP 46 Ca 0.01 -0.35 -0.21 0.00 -2.12 0.00 0.00 56.10 53.42 2cre s TRP 46 Cb -0.01 -0.90 0.09 0.00 -0.81 0.00 0.00 33.47 31.84 2cre s TRP 46 CO -0.04 -0.13 1.04 0.21 -0.51 0.00 0.00 176.95 177.52 2cre s LYS 47 N 0.14 3.30 0.39 4.98 2.20 -1.23 0.48 119.74 130.00 2cre s LYS 47 Ca -0.04 -1.17 0.08 0.00 -0.36 0.00 0.00 55.97 54.48 2cre s LYS 47 Cb -0.10 -4.52 -0.01 0.00 -1.51 0.00 0.00 37.83 31.69 2cre s LYS 47 CO 0.01 -1.82 0.41 0.00 -0.36 0.00 0.00 175.35 173.60 2cre s LEU 49 N -4.15 1.76 -0.11 0.00 1.98 -0.81 -2.71 118.68 114.64 2cre s LEU 49 Ca 0.47 -0.46 -0.08 0.00 -2.89 0.00 0.00 54.13 51.18 2cre s LEU 49 Cb -0.06 -1.14 0.04 0.00 0.66 0.00 0.00 46.19 45.68 2cre s LEU 49 CO 0.29 0.01 0.28 -0.22 -1.89 0.00 0.00 176.35 174.83 2cre s LEU 50 N 1.03 0.62 -1.56 -0.68 2.96 -1.26 -3.80 118.68 116.00 2cre s LEU 50 Ca -0.05 0.59 -0.16 0.00 -0.22 0.00 0.00 54.13 54.28 2cre s LEU 50 Cb -0.15 0.93 0.16 0.00 0.50 0.00 0.00 46.19 47.63 2cre s LEU 50 CO -0.03 -0.13 0.41 1.41 -1.32 0.00 0.00 176.35 176.69 2cre n HIS 51 N 3.55 -1.01 -3.22 5.38 8.25 -1.26 0.62 115.22 127.54 2cre n HIS 51 Ca -0.19 0.58 -0.15 0.00 -0.26 0.00 0.00 57.72 57.70 2cre n HIS 51 Cb 0.56 -1.75 0.08 0.00 1.12 0.00 0.00 29.99 29.99 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 -1.26 -0.41 0.20 -1.41 0.00 -1.26 -4.97 105.19 96.08 2cre n GLY 52 Ca 0.02 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.61 0.49 -3.40 1.61 5.12 0.20 -5.04 116.66 112.04 2cre n ARG 53 Ca -0.22 0.20 -0.17 0.00 -1.93 0.00 0.00 57.85 55.74 2cre n ARG 53 Cb 0.64 -1.35 0.08 0.00 -1.16 0.00 0.00 32.46 30.67 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 -4.29 -5.11 -4.64 5.56 6.02 -1.24 -4.95 117.38 108.73 2cre n GLN 54 Ca -0.23 0.84 -0.29 0.00 -0.01 0.00 0.00 57.00 57.30 2cre n GLN 54 Cb 0.58 -5.79 -0.09 0.00 1.02 0.00 0.00 30.24 25.96 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 -4.05 2.74 0.69 1.08 0.00 -1.10 -4.95 107.32 101.73 2cre s GLY 55 Ca 0.15 -1.06 -0.09 0.00 0.00 0.00 0.00 44.72 43.71 2cre s GLY 55 CO 0.74 -2.04 1.05 1.08 0.00 0.00 0.00 173.10 173.93 2cre s LEU 56 N -3.74 2.91 -0.12 0.66 1.43 -0.27 -1.86 118.68 117.69 2cre s LEU 56 Ca 0.18 0.87 -0.16 0.00 -1.03 0.00 0.00 54.13 54.00 2cre s LEU 56 Cb 0.04 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.69 2cre s LEU 56 CO 0.10 -1.40 0.42 0.00 0.23 0.00 0.00 176.35 175.70 2cre s ALA 57 N -3.29 -1.04 -0.48 4.21 0.00 0.18 0.10 121.76 121.44 2cre s ALA 57 Ca 0.58 1.00 -0.27 0.00 0.00 0.00 0.00 51.96 53.27 2cre s ALA 57 Cb -0.11 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 2cre s ALA 57 CO 0.49 -0.23 1.78 -1.25 0.00 0.00 0.00 175.76 176.55 2cre s PRO 58 N -0.24 3.01 0.25 0.00 0.04 -1.26 0.42 135.00 137.21 2cre s PRO 58 Ca -0.04 0.96 0.13 0.00 0.04 0.00 0.00 61.00 62.09 2cre s PRO 58 Cb -0.03 -4.27 0.71 0.00 0.04 0.00 0.00 34.50 30.94 2cre s PRO 58 CO 0.02 -2.26 1.32 0.00 0.04 0.00 0.00 177.00 176.13 2cre n ALA 59 N 11.34 0.79 0.15 8.56 0.00 -1.19 0.12 120.51 140.28 2cre n ALA 59 Ca 0.21 0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.80 2cre n ALA 59 Cb 0.50 -0.96 0.10 0.00 0.00 0.00 0.00 19.45 19.08 2cre n ALA 59 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2cre h ASN 60 N 0.00 0.00 -0.45 0.00 2.35 -1.88 -3.16 115.58 112.45 2cre h ASN 60 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2cre h ASN 60 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 2cre h ASN 60 CO 0.00 0.49 0.00 0.54 -1.65 0.00 0.00 177.43 176.81 2cre n ARG 61 N -3.29 2.50 -4.03 0.81 1.74 0.12 -4.97 116.66 109.54 2cre n ARG 61 Ca 0.01 -2.22 -0.22 0.00 -0.77 0.00 0.00 57.85 54.66 2cre n ARG 61 Cb 0.69 -1.42 -0.04 0.00 -1.02 0.00 0.00 32.46 30.67 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 -1.12 3.92 -0.27 0.55 2.01 -1.07 -2.37 118.68 120.32 2cre s LEU 62 Ca 0.34 -0.20 -0.01 0.00 0.01 0.00 0.00 54.13 54.28 2cre s LEU 62 Cb 0.19 -2.47 0.08 0.00 0.01 0.00 0.00 46.19 44.00 2cre s LEU 62 CO 0.25 -0.09 0.06 -1.58 1.01 0.00 0.00 176.35 176.00 2cre s GLN 63 N -3.90 0.87 -0.17 1.70 0.74 -0.45 -4.88 119.66 113.57 2cre s GLN 63 Ca 0.34 -0.94 -0.29 0.00 0.05 0.00 0.00 55.36 54.52 2cre s GLN 63 Cb -0.08 -2.16 -0.02 0.00 1.10 0.00 0.00 33.01 31.84 2cre s GLN 63 CO 0.26 -0.84 1.45 0.42 -0.55 0.00 0.00 175.29 176.03 2cre s ILE 64 N 1.61 3.95 0.44 -2.34 -1.09 -1.26 -0.91 121.20 121.60 2cre s ILE 64 Ca 0.05 1.12 -0.05 0.00 -2.23 0.00 0.00 60.65 59.54 2cre s ILE 64 Cb -0.18 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 2cre s ILE 64 CO -0.17 -0.21 0.73 -0.76 -1.23 0.00 0.00 174.94 173.29 2cre s LEU 65 N 4.18 3.74 -0.01 2.97 1.43 -1.17 -5.00 118.68 124.81 2cre s LEU 65 Ca 0.63 0.85 0.08 0.00 -1.03 0.00 0.00 54.13 54.67 2cre s LEU 65 Cb -0.24 -3.77 -0.02 0.00 0.03 0.00 0.00 46.19 42.18 2cre s LEU 65 CO 0.23 -0.49 -0.26 -0.94 0.23 0.00 0.00 176.35 175.12 2cre s SER 66 N -3.94 3.07 0.00 2.29 1.04 -1.26 -4.88 113.70 110.01 2cre s SER 66 Ca 0.46 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2cre s SER 66 Cb -0.10 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.69 2cre s SER 66 CO 0.41 0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.55 2cre n GLY 67 N 2.31 -0.26 0.00 7.32 0.00 -1.26 -4.88 105.19 108.43 2cre n GLY 67 Ca -0.16 0.03 0.06 0.00 0.00 0.00 0.00 46.02 45.95 2cre n GLY 67 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cre n PRO 68 N -1.93 0.49 -0.25 1.61 -0.04 -1.26 -4.00 135.00 129.62 2cre n PRO 68 Ca 0.00 0.00 0.25 0.00 -0.04 0.00 0.00 63.50 63.71 2cre n PRO 68 Cb 0.00 -1.40 0.46 0.00 -0.04 0.00 0.00 33.50 32.52 2cre n PRO 68 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2cre n SER 69 N -0.90 0.27 -3.86 3.54 3.41 -1.26 -3.37 113.62 111.44 2cre n SER 69 Ca 0.09 1.27 -0.30 0.00 -0.26 0.00 0.00 58.87 59.68 2cre n SER 69 Cb 0.04 -0.62 -0.16 0.00 -0.26 0.00 0.00 64.21 63.21 2cre n SER 69 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cre s SER 70 N -4.62 3.64 0.00 4.04 0.15 -1.26 -5.25 113.70 110.40 2cre s SER 70 Ca -0.07 -1.16 0.21 0.00 0.70 0.00 0.00 55.95 55.64 2cre s SER 70 Cb 0.26 -1.00 1.28 0.00 -1.71 0.00 0.00 66.02 64.85 2cre s SER 70 CO 0.60 -0.28 1.66 0.61 1.20 0.00 0.00 173.24 177.04