#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 6.89 -0.14 1.61 1.04 -1.26 -5.03 113.70 116.80 2cre s SER 2 Ca 0.00 -3.44 -0.28 0.00 0.48 0.00 0.00 55.95 52.70 2cre s SER 2 Cb 0.00 -2.14 -0.01 0.00 0.10 0.00 0.00 66.02 63.97 2cre s SER 2 CO 0.00 -0.32 0.96 -0.55 0.98 0.00 0.00 173.24 174.31 2cre s SER 3 N 1.15 7.13 0.00 7.02 0.15 -1.26 -4.96 113.70 122.93 2cre s SER 3 Ca 0.27 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.32 2cre s SER 3 Cb -0.10 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2cre s SER 3 CO -0.09 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 174.50 2cre n GLY 4 N 3.24 3.79 4.09 9.45 0.00 -1.26 -5.02 105.19 119.48 2cre n GLY 4 Ca 0.08 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 2cre n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cre n SER 5 N 0.00 -2.78 0.16 1.61 7.64 -1.26 -4.87 113.62 114.12 2cre n SER 5 Ca 0.00 -0.97 -0.14 0.00 1.01 0.00 0.00 58.87 58.78 2cre n SER 5 Cb 0.00 -3.05 -0.08 0.00 -1.01 0.00 0.00 64.21 60.07 2cre n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2cre h SER 6 N -1.70 -0.36 0.00 6.43 0.02 -1.91 -3.47 113.55 112.57 2cre h SER 6 Ca -0.60 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.20 2cre h SER 6 Cb 1.38 0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.01 2cre h SER 6 CO 0.72 -0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.99 2cre n GLY 7 N -0.49 0.87 3.97 -3.77 0.00 -1.16 -5.04 105.19 99.57 2cre n GLY 7 Ca -0.10 -0.68 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 3.25 -0.07 0.99 2.01 0.12 -4.89 118.68 120.09 2cre s LEU 8 Ca 0.00 -0.78 0.05 0.00 0.01 0.00 0.00 54.13 53.40 2cre s LEU 8 Cb 0.00 -1.92 -0.00 0.00 0.01 0.00 0.00 46.19 44.28 2cre s LEU 8 CO 0.00 -0.99 -0.21 -0.76 1.01 0.00 0.00 176.35 175.40 2cre s LEU 9 N -4.39 1.99 0.16 1.79 1.43 -1.26 0.23 118.68 118.62 2cre s LEU 9 Ca 0.52 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 53.23 2cre s LEU 9 Cb -0.06 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 2cre s LEU 9 CO 0.32 0.17 -0.14 0.00 0.23 0.00 0.00 176.35 176.93 2cre s ALA 10 N 0.13 1.73 0.31 4.21 0.00 -0.08 -2.95 121.76 125.11 2cre s ALA 10 Ca -0.09 -1.45 0.06 0.00 0.00 0.00 0.00 51.96 50.48 2cre s ALA 10 Cb -0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 2cre s ALA 10 CO 0.05 0.09 0.43 0.50 0.00 0.00 0.00 175.76 176.83 2cre s ARG 11 N -3.09 3.16 -0.42 0.00 3.52 -0.91 -1.10 118.95 120.11 2cre s ARG 11 Ca 0.15 -0.98 -0.04 0.00 -0.13 0.00 0.00 55.73 54.73 2cre s ARG 11 Cb -0.03 -2.81 0.11 0.00 -1.56 0.00 0.00 34.95 30.66 2cre s ARG 11 CO 0.04 0.15 0.24 0.00 -0.81 0.00 0.00 175.30 174.92 2cre s ALA 12 N -2.14 3.21 -0.04 6.12 0.00 -1.11 -2.27 121.76 125.54 2cre s ALA 12 Ca 0.42 -2.54 0.31 0.00 0.00 0.00 0.00 51.96 50.15 2cre s ALA 12 Cb -0.09 -2.52 1.37 0.00 0.00 0.00 0.00 23.12 21.88 2cre s ALA 12 CO 0.30 -1.83 1.92 -0.07 0.00 0.00 0.00 175.76 176.09 2cre h LEU 13 N 8.15 0.00 -7.00 0.00 3.38 -1.82 -2.89 115.31 115.12 2cre h LEU 13 Ca -0.15 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2cre h LEU 13 Cb 1.05 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.60 2cre h LEU 13 CO 0.74 0.00 0.17 -0.31 0.09 0.00 0.00 178.44 179.13 2cre s TYR 14 N -3.61 -0.73 0.62 1.13 1.51 -1.26 -4.92 117.35 110.10 2cre s TYR 14 Ca 0.01 1.61 -0.19 0.00 -1.01 0.00 0.00 57.07 57.49 2cre s TYR 14 Cb 0.09 0.32 -0.02 0.00 -0.11 0.00 0.00 41.96 42.24 2cre s TYR 14 CO 0.45 -0.45 1.32 0.16 -1.11 0.00 0.00 175.55 175.91 2cre s ASP 15 N -0.17 4.77 -0.08 2.29 -4.77 -1.26 -4.48 116.67 112.98 2cre s ASP 15 Ca -0.04 2.68 0.04 0.00 -3.30 0.00 0.00 52.55 51.93 2cre s ASP 15 Cb -0.03 -2.62 -0.01 0.00 -1.09 0.00 0.00 42.92 39.16 2cre s ASP 15 CO 0.04 -1.90 -0.20 0.21 0.70 0.00 0.00 175.17 174.02 2cre s ASN 16 N -1.25 3.48 -0.76 2.11 2.47 0.71 -4.89 114.94 116.80 2cre s ASN 16 Ca 0.80 -0.41 0.02 0.00 0.42 0.00 0.00 52.86 53.69 2cre s ASN 16 Cb -0.39 -1.07 0.19 0.00 -1.45 0.00 0.00 41.25 38.53 2cre s ASN 16 CO 0.42 0.24 0.59 0.00 -3.72 0.00 0.00 177.10 174.63 2cre s PRO 18 N -1.33 4.01 0.01 0.00 0.04 -1.26 -4.96 135.00 131.50 2cre s PRO 18 Ca 0.25 1.88 0.20 0.00 0.04 0.00 0.00 61.00 63.37 2cre s PRO 18 Cb -0.07 -2.66 -0.20 0.00 0.04 0.00 0.00 34.50 31.62 2cre s PRO 18 CO -0.14 -0.37 0.62 -3.47 0.04 0.00 0.00 177.00 173.68 2cre n ASP 19 N 0.02 0.43 -4.52 6.66 -0.08 -1.26 -4.97 116.55 112.83 2cre n ASP 19 Ca 0.05 0.18 -0.24 0.00 -1.51 0.00 0.00 54.79 53.26 2cre n ASP 19 Cb 0.46 0.94 -0.11 0.00 2.34 0.00 0.00 41.12 44.75 2cre n ASP 19 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2cre h SER 21 N 1.96 1.05 -0.87 0.00 0.87 -2.00 -3.17 113.55 111.39 2cre h SER 21 Ca -0.42 -0.32 0.15 0.00 -1.23 0.00 0.00 61.79 59.96 2cre h SER 21 Cb 1.24 -0.28 -0.15 0.00 -0.44 0.00 0.00 62.40 62.77 2cre h SER 21 CO 0.74 1.12 -0.30 0.47 -0.53 0.00 0.00 176.83 178.33 2cre n ASP 22 N -4.16 -0.49 -4.87 6.23 9.92 -1.26 -4.39 116.55 117.53 2cre n ASP 22 Ca 0.02 1.50 -0.31 0.00 -0.53 0.00 0.00 54.79 55.48 2cre n ASP 22 Cb 0.38 -0.38 0.03 0.00 -0.64 0.00 0.00 41.12 40.51 2cre n ASP 22 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2cre s GLU 23 N -5.90 3.26 0.01 -1.24 2.02 -1.20 -0.05 118.70 115.60 2cre s GLU 23 Ca -0.12 0.64 -0.01 0.00 0.02 0.00 0.00 54.97 55.49 2cre s GLU 23 Cb 0.19 -2.05 -0.04 0.00 0.10 0.00 0.00 34.13 32.33 2cre s GLU 23 CO 0.63 -0.79 0.14 -1.17 0.02 0.00 0.00 175.26 174.10 2cre s LEU 24 N -5.27 4.15 -0.44 1.80 0.20 0.11 -4.41 118.68 114.82 2cre s LEU 24 Ca 0.56 0.24 -0.10 0.00 0.69 0.00 0.00 54.13 55.53 2cre s LEU 24 Cb -0.11 -2.51 0.09 0.00 -0.43 0.00 0.00 46.19 43.23 2cre s LEU 24 CO 0.53 0.25 0.29 0.00 -0.29 0.00 0.00 176.35 177.14 2cre s ALA 25 N -1.30 3.34 0.30 5.97 0.00 -1.26 -4.45 121.76 124.36 2cre s ALA 25 Ca 0.26 -2.25 0.06 0.00 0.00 0.00 0.00 51.96 50.03 2cre s ALA 25 Cb -0.12 -2.73 -0.06 0.00 0.00 0.00 0.00 23.12 20.20 2cre s ALA 25 CO 0.18 -1.72 -0.01 -0.59 0.00 0.00 0.00 175.76 173.61 2cre s PHE 26 N 1.43 1.97 0.08 0.00 -0.12 -1.24 -4.99 117.98 115.11 2cre s PHE 26 Ca 0.04 -0.79 0.07 0.00 -0.05 0.00 0.00 56.93 56.19 2cre s PHE 26 Cb -0.24 -1.20 -0.03 0.00 -0.63 0.00 0.00 43.02 40.92 2cre s PHE 26 CO 0.02 0.19 -0.18 -1.12 -0.05 0.00 0.00 175.22 174.07 2cre s SER 27 N -3.47 2.13 0.33 1.98 0.01 -1.26 -0.21 113.70 113.20 2cre s SER 27 Ca 0.32 -0.62 -0.19 0.00 1.31 0.00 0.00 55.95 56.77 2cre s SER 27 Cb 0.06 -0.11 -0.14 0.00 0.21 0.00 0.00 66.02 66.05 2cre s SER 27 CO 0.13 0.01 0.12 -1.14 0.41 0.00 0.00 173.24 172.77 2cre n ARG 28 N 1.30 0.00 -3.21 12.44 3.00 -1.26 -2.54 116.66 126.38 2cre n ARG 28 Ca -0.20 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.49 2cre n ARG 28 Cb 0.54 -0.86 0.06 0.00 0.00 0.00 0.00 32.46 32.20 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 1.97 -0.15 2.99 5.14 0.00 -1.09 -4.94 105.19 109.12 2cre n GLY 29 Ca 0.10 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.52 1.83 -0.50 1.61 1.11 -1.05 -4.99 116.67 111.16 2cre s ASP 30 Ca 0.27 -0.29 -0.24 0.00 0.18 0.00 0.00 52.55 52.47 2cre s ASP 30 Cb -0.12 -0.82 0.03 0.00 1.07 0.00 0.00 42.92 43.09 2cre s ASP 30 CO 0.54 -0.00 0.87 -0.63 1.18 0.00 0.00 175.17 177.12 2cre s ILE 31 N 0.90 4.52 -0.07 0.77 -1.09 -1.26 -2.75 121.20 122.22 2cre s ILE 31 Ca -0.10 0.38 -0.13 0.00 -2.23 0.00 0.00 60.65 58.56 2cre s ILE 31 Cb -0.15 -4.43 -0.05 0.00 -1.58 0.00 0.00 42.46 36.25 2cre s ILE 31 CO 0.01 -0.91 0.34 -0.76 -1.23 0.00 0.00 174.94 172.39 2cre s LEU 32 N 3.61 4.39 -0.68 2.97 2.01 -0.25 -4.94 118.68 125.79 2cre s LEU 32 Ca 0.31 0.77 -0.22 0.00 0.01 0.00 0.00 54.13 54.99 2cre s LEU 32 Cb -0.12 -2.46 0.08 0.00 0.01 0.00 0.00 46.19 43.70 2cre s LEU 32 CO 0.21 0.26 0.97 -0.89 1.01 0.00 0.00 176.35 177.92 2cre s THR 33 N -0.59 4.37 -0.83 5.49 2.01 -1.25 -0.90 115.64 123.94 2cre s THR 33 Ca 0.21 -0.48 -0.25 0.00 0.31 0.00 0.00 61.69 61.47 2cre s THR 33 Cb -0.15 -4.69 -0.08 0.00 0.01 0.00 0.00 72.50 67.59 2cre s THR 33 CO 0.09 -1.45 2.14 -0.63 -0.69 0.00 0.00 174.62 174.08 2cre s ILE 34 N 3.92 3.26 0.13 1.82 1.01 0.64 -2.35 121.20 129.61 2cre s ILE 34 Ca 0.23 -0.18 -0.25 0.00 0.00 0.00 0.00 60.65 60.44 2cre s ILE 34 Cb -0.16 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 2cre s ILE 34 CO 0.08 -0.55 1.64 -0.07 0.00 0.00 0.00 174.94 176.05 2cre h LEU 35 N 19.70 -0.70 -7.45 2.97 3.38 -0.68 0.33 115.31 132.87 2cre h LEU 35 Ca 0.03 0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 2cre h LEU 35 Cb 1.02 0.29 -0.22 0.00 0.09 0.00 0.00 40.66 41.84 2cre h LEU 35 CO 1.13 -0.30 -0.29 -1.83 0.09 0.00 0.00 178.44 177.24 2cre s GLU 36 N -6.08 0.53 -0.19 1.13 -1.05 -1.19 -2.98 118.70 108.87 2cre s GLU 36 Ca -0.15 0.15 -0.04 0.00 -0.15 0.00 0.00 54.97 54.78 2cre s GLU 36 Cb 0.09 0.25 -0.21 0.00 -0.44 0.00 0.00 34.13 33.82 2cre s GLU 36 CO 0.66 -0.11 0.06 1.04 0.95 0.00 0.00 175.26 177.86 2cre n GLN 37 N 2.10 0.69 -1.85 -4.83 3.00 -1.26 -2.87 117.38 112.35 2cre n GLN 37 Ca -0.17 0.23 -0.21 0.00 -0.01 0.00 0.00 57.00 56.83 2cre n GLN 37 Cb 0.57 -1.62 -0.07 0.00 0.00 0.00 0.00 30.24 29.12 2cre n GLN 37 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2cre s HIS 38 N -2.53 1.56 -0.48 1.08 2.46 -1.26 -4.83 115.29 111.29 2cre s HIS 38 Ca -0.29 1.23 0.03 0.00 0.47 0.00 0.00 55.06 56.50 2cre s HIS 38 Cb 0.08 -3.76 0.12 0.00 -0.13 0.00 0.00 32.58 28.90 2cre s HIS 38 CO 0.67 -1.44 0.22 0.08 -2.47 0.00 0.00 174.74 171.80 2cre s VAL 39 N 12.61 2.61 0.13 0.89 1.01 -1.26 -4.94 120.40 131.46 2cre s VAL 39 Ca 0.78 -3.01 0.34 0.00 0.00 0.00 0.00 61.98 60.09 2cre s VAL 39 Cb -0.07 -2.83 0.39 0.00 0.00 0.00 0.00 36.38 33.87 2cre s VAL 39 CO 0.07 -0.75 2.00 1.55 0.00 0.00 0.00 175.10 177.97 2cre h PRO 40 N 6.87 0.00 -0.38 2.72 0.13 -1.97 -2.97 132.00 136.41 2cre h PRO 40 Ca -0.07 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.95 2cre h PRO 40 Cb 0.93 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 2cre h PRO 40 CO 0.65 0.01 -0.21 0.93 -0.23 0.00 0.00 178.00 179.15 2cre h GLU 41 N 0.00 0.73 -4.36 0.86 4.39 -2.00 -3.41 114.58 110.79 2cre h GLU 41 Ca -0.00 -0.29 -0.55 0.00 0.34 0.00 0.00 59.36 58.87 2cre h GLU 41 Cb 0.50 -0.04 -0.36 0.00 -0.10 0.00 0.00 28.75 28.75 2cre h GLU 41 CO 0.00 0.88 -0.81 -1.12 -1.16 0.00 0.00 179.01 176.81 2cre s SER 42 N -6.75 2.29 -0.26 1.42 0.01 -1.12 -5.10 113.70 104.18 2cre s SER 42 Ca -0.09 -0.35 -0.29 0.00 1.31 0.00 0.00 55.95 56.53 2cre s SER 42 Cb 0.13 -0.93 0.00 0.00 0.21 0.00 0.00 66.02 65.43 2cre s SER 42 CO 0.83 -0.09 1.21 -1.61 0.41 0.00 0.00 173.24 173.99 2cre s GLU 43 N 1.59 4.07 -0.13 12.44 0.41 -1.26 -3.55 118.70 132.27 2cre s GLU 43 Ca 0.04 1.33 -0.00 0.00 -0.41 0.00 0.00 54.97 55.92 2cre s GLU 43 Cb -0.13 -3.79 0.00 0.00 -1.78 0.00 0.00 34.13 28.43 2cre s GLU 43 CO -0.08 -0.91 0.11 0.41 -0.49 0.00 0.00 175.26 174.29 2cre n GLY 44 N 3.93 0.51 3.09 -1.39 0.00 -1.26 -5.08 105.19 104.99 2cre n GLY 44 Ca 0.14 -0.47 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.04 0.39 -0.05 1.61 0.52 -1.23 -3.65 118.94 113.49 2cre s TRP 45 Ca 0.02 -0.84 0.03 0.00 0.02 0.00 0.00 56.10 55.33 2cre s TRP 45 Cb -0.01 -0.28 0.01 0.00 -1.15 0.00 0.00 33.47 32.04 2cre s TRP 45 CO 0.08 -0.37 -0.13 -1.58 0.02 0.00 0.00 176.95 174.96 2cre s TRP 46 N -3.36 1.48 -0.57 -1.98 0.51 0.19 -4.67 118.94 110.53 2cre s TRP 46 Ca 0.02 -0.49 -0.24 0.00 -2.12 0.00 0.00 56.10 53.28 2cre s TRP 46 Cb 0.04 -1.05 0.05 0.00 -0.81 0.00 0.00 33.47 31.70 2cre s TRP 46 CO -0.08 -0.22 0.93 0.21 -0.51 0.00 0.00 176.95 177.28 2cre s LYS 47 N 0.40 3.27 0.41 4.98 2.20 -1.14 0.17 119.74 130.04 2cre s LYS 47 Ca -0.10 -0.42 0.07 0.00 -0.36 0.00 0.00 55.97 55.16 2cre s LYS 47 Cb -0.13 -4.09 -0.05 0.00 -1.51 0.00 0.00 37.83 32.04 2cre s LYS 47 CO 0.03 -1.55 0.21 0.00 -0.36 0.00 0.00 175.35 173.68 2cre s LEU 49 N -3.94 1.39 -0.10 0.00 1.98 -0.99 -2.38 118.68 114.63 2cre s LEU 49 Ca 0.42 -0.28 -0.05 0.00 -2.89 0.00 0.00 54.13 51.33 2cre s LEU 49 Cb 0.03 -0.79 0.05 0.00 0.66 0.00 0.00 46.19 46.13 2cre s LEU 49 CO 0.23 -0.05 0.24 -0.22 -1.89 0.00 0.00 176.35 174.66 2cre s LEU 50 N 1.19 0.42 -1.80 -0.68 2.96 -1.26 -3.83 118.68 115.67 2cre s LEU 50 Ca -0.05 0.51 -0.20 0.00 -0.22 0.00 0.00 54.13 54.17 2cre s LEU 50 Cb -0.14 0.70 0.19 0.00 0.50 0.00 0.00 46.19 47.44 2cre s LEU 50 CO -0.02 -0.17 0.56 1.41 -1.32 0.00 0.00 176.35 176.81 2cre n HIS 51 N 4.26 -1.29 -3.11 5.38 8.25 -1.26 -0.06 115.22 127.39 2cre n HIS 51 Ca -0.25 0.70 -0.13 0.00 -0.26 0.00 0.00 57.72 57.78 2cre n HIS 51 Cb 0.53 -2.22 0.07 0.00 1.12 0.00 0.00 29.99 29.49 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 -1.32 -0.21 0.12 -1.41 0.00 -1.26 -4.98 105.19 96.13 2cre n GLY 52 Ca 0.05 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.42 0.55 -3.32 1.61 5.12 0.92 -5.04 116.66 113.07 2cre n ARG 53 Ca -0.22 0.23 -0.16 0.00 -1.93 0.00 0.00 57.85 55.77 2cre n ARG 53 Cb 0.63 -1.45 0.08 0.00 -1.16 0.00 0.00 32.46 30.57 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 -4.35 -5.31 -4.54 5.56 6.02 -1.24 -4.94 117.38 108.57 2cre n GLN 54 Ca -0.32 0.82 -0.25 0.00 -0.01 0.00 0.00 57.00 57.24 2cre n GLN 54 Cb 0.68 -5.71 -0.11 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 -4.07 2.24 0.74 1.08 0.00 -1.00 -4.93 107.32 101.38 2cre s GLY 55 Ca 0.11 -2.14 -0.11 0.00 0.00 0.00 0.00 44.72 42.58 2cre s GLY 55 CO 0.70 -1.99 1.11 1.08 0.00 0.00 0.00 173.10 174.00 2cre s LEU 56 N -3.60 2.75 -0.07 0.66 1.43 0.93 -1.33 118.68 119.45 2cre s LEU 56 Ca 0.34 0.87 -0.09 0.00 -1.03 0.00 0.00 54.13 54.21 2cre s LEU 56 Cb 0.07 -3.52 0.02 0.00 0.03 0.00 0.00 46.19 42.79 2cre s LEU 56 CO 0.16 -1.59 0.24 0.00 0.23 0.00 0.00 176.35 175.39 2cre s ALA 57 N -3.41 -0.59 -0.24 4.21 0.00 0.46 0.05 121.76 122.24 2cre s ALA 57 Ca 0.60 0.51 -0.29 0.00 0.00 0.00 0.00 51.96 52.78 2cre s ALA 57 Cb -0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2cre s ALA 57 CO 0.49 -0.15 1.62 -1.25 0.00 0.00 0.00 175.76 176.47 2cre s PRO 58 N -0.32 3.75 0.39 0.00 0.04 -1.26 0.56 135.00 138.15 2cre s PRO 58 Ca -0.04 1.62 0.25 0.00 0.04 0.00 0.00 61.00 62.86 2cre s PRO 58 Cb -0.03 -4.05 1.35 0.00 0.04 0.00 0.00 34.50 31.81 2cre s PRO 58 CO 0.01 -1.35 1.75 0.00 0.04 0.00 0.00 177.00 177.45 2cre h ALA 59 N 10.90 1.03 0.00 8.56 0.00 -1.88 0.16 119.26 138.03 2cre h ALA 59 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2cre h ALA 59 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2cre h ALA 59 CO 1.01 -0.03 0.00 -0.91 0.00 0.00 0.00 179.25 179.31 2cre h ASN 60 N 0.00 0.00 -0.00 0.00 2.35 -1.89 -3.16 115.58 112.88 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 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 2cre h ASN 60 CO 0.00 0.00 -0.10 0.54 -1.65 0.00 0.00 177.43 176.22 2cre n ARG 61 N -2.71 2.04 -4.08 0.81 1.74 0.49 -4.98 116.66 109.97 2cre n ARG 61 Ca 0.04 -0.51 -0.34 0.00 -0.77 0.00 0.00 57.85 56.26 2cre n ARG 61 Cb 0.42 -0.97 -0.10 0.00 -1.02 0.00 0.00 32.46 30.78 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 -1.22 3.65 -0.47 0.55 2.01 -0.79 -2.26 118.68 120.16 2cre s LEU 62 Ca 0.05 0.01 -0.12 0.00 0.01 0.00 0.00 54.13 54.08 2cre s LEU 62 Cb 0.05 -1.92 0.10 0.00 0.01 0.00 0.00 46.19 44.43 2cre s LEU 62 CO 0.13 0.16 0.36 -1.58 1.01 0.00 0.00 176.35 176.43 2cre s GLN 63 N 0.46 2.72 -0.43 1.70 0.74 -0.96 -4.84 119.66 119.05 2cre s GLN 63 Ca 0.01 -1.57 -0.27 0.00 0.05 0.00 0.00 55.36 53.59 2cre s GLN 63 Cb -0.13 -3.99 -0.06 0.00 1.10 0.00 0.00 33.01 29.93 2cre s GLN 63 CO 0.01 -1.11 2.32 0.42 -0.55 0.00 0.00 175.29 176.38 2cre s ILE 64 N 1.48 3.04 -0.38 -2.34 -1.09 -1.26 -2.15 121.20 118.49 2cre s ILE 64 Ca 0.04 0.03 -0.27 0.00 -2.23 0.00 0.00 60.65 58.22 2cre s ILE 64 Cb -0.25 -3.08 0.02 0.00 -1.58 0.00 0.00 42.46 37.57 2cre s ILE 64 CO 0.02 -0.07 0.97 -0.76 -1.23 0.00 0.00 174.94 173.87 2cre s LEU 65 N 10.99 3.95 0.05 2.97 1.43 -1.15 -5.02 118.68 131.90 2cre s LEU 65 Ca 0.96 0.58 0.05 0.00 -1.03 0.00 0.00 54.13 54.69 2cre s LEU 65 Cb -0.21 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 2cre s LEU 65 CO 0.28 -0.93 -0.07 -0.55 0.23 0.00 0.00 176.35 175.32 2cre s SER 66 N 1.96 4.61 0.46 2.29 0.15 -1.26 -4.70 113.70 117.21 2cre s SER 66 Ca 0.40 -0.23 -0.21 0.00 0.70 0.00 0.00 55.95 56.62 2cre s SER 66 Cb -0.11 -1.02 -0.10 0.00 -1.71 0.00 0.00 66.02 63.08 2cre s SER 66 CO 0.21 0.23 1.00 -0.83 1.20 0.00 0.00 173.24 175.05 2cre s GLY 67 N -1.81 2.46 0.11 9.45 0.00 -1.26 -4.98 107.32 111.29 2cre s GLY 67 Ca 0.20 0.52 -0.14 0.00 0.00 0.00 0.00 44.72 45.30 2cre s GLY 67 CO 0.11 0.82 1.43 -0.56 0.00 0.00 0.00 173.10 174.90 2cre h PRO 68 N 1.71 0.76 -6.45 2.90 0.13 -1.99 -3.35 132.00 125.72 2cre h PRO 68 Ca -0.49 -0.41 -0.53 0.00 -0.87 0.00 0.00 66.00 63.70 2cre h PRO 68 Cb 1.20 0.02 0.02 0.00 0.13 0.00 0.00 31.00 32.37 2cre h PRO 68 CO 0.60 1.03 0.95 -1.54 -0.23 0.00 0.00 178.00 178.81 2cre s SER 69 N -6.62 6.66 -1.48 1.44 1.04 -1.26 -2.78 113.70 110.69 2cre s SER 69 Ca -0.12 2.41 -0.06 0.00 0.48 0.00 0.00 55.95 58.67 2cre s SER 69 Cb 0.09 -2.56 0.05 0.00 0.10 0.00 0.00 66.02 63.69 2cre s SER 69 CO 0.84 -0.84 0.60 -0.24 0.98 0.00 0.00 173.24 174.58 2cre n SER 70 N 5.42 -1.61 -0.10 7.02 2.88 -1.26 -5.22 113.62 120.75 2cre n SER 70 Ca 0.15 -0.96 0.16 0.00 -1.33 0.00 0.00 58.87 56.89 2cre n SER 70 Cb 0.41 -3.20 0.86 0.00 -0.75 0.00 0.00 64.21 61.53 2cre n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42