#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yup s SER 2 N 0.00 -0.58 0.20 1.61 0.15 -1.26 -5.18 113.70 108.64 2yup s SER 2 Ca 0.00 0.72 0.01 0.00 0.70 0.00 0.00 55.95 57.38 2yup s SER 2 Cb 0.00 0.59 -0.05 0.00 -1.71 0.00 0.00 66.02 64.85 2yup s SER 2 CO 0.00 -0.48 0.05 -0.94 1.20 0.00 0.00 173.24 173.07 2yup s SER 3 N -0.94 1.08 0.00 5.45 1.04 -1.26 -5.06 113.70 114.01 2yup s SER 3 Ca -0.07 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.10 2yup s SER 3 Cb -0.01 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.27 2yup s SER 3 CO 0.06 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.24 2yup n GLY 4 N -0.31 0.87 3.42 7.32 0.00 -1.26 -5.06 105.19 110.16 2yup n GLY 4 Ca -0.04 -0.58 -0.45 0.00 0.00 0.00 0.00 46.02 44.95 2yup n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yup s SER 5 N 0.00 6.59 -0.18 1.61 1.04 -1.26 -4.95 113.70 116.55 2yup s SER 5 Ca 0.00 -2.08 -0.32 0.00 0.48 0.00 0.00 55.95 54.04 2yup s SER 5 Cb 0.00 -2.35 0.14 0.00 0.10 0.00 0.00 66.02 63.92 2yup s SER 5 CO 0.00 -0.98 1.15 -0.55 0.98 0.00 0.00 173.24 173.84 2yup s SER 6 N 3.30 -0.20 0.17 7.02 0.15 -1.26 -5.14 113.70 117.73 2yup s SER 6 Ca 0.27 0.12 -0.20 0.00 0.70 0.00 0.00 55.95 56.84 2yup s SER 6 Cb -0.09 0.19 -0.13 0.00 -1.71 0.00 0.00 66.02 64.29 2yup s SER 6 CO -0.07 -0.26 0.35 0.61 1.20 0.00 0.00 173.24 175.07 2yup n GLY 7 N 0.27 -1.40 3.19 9.45 0.00 -1.26 -4.96 105.19 110.48 2yup n GLY 7 Ca -0.04 0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 2yup n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yup s LYS 8 N -0.74 1.21 0.62 1.61 -2.85 -1.26 -5.14 119.74 113.18 2yup s LYS 8 Ca 0.47 -0.79 -0.17 0.00 -1.00 0.00 0.00 55.97 54.49 2yup s LYS 8 Cb -0.66 -1.25 -0.02 0.00 -2.06 0.00 0.00 37.83 33.83 2yup s LYS 8 CO 0.42 0.32 1.12 -1.25 0.10 0.00 0.00 175.35 176.06 2yup s PRO 9 N -0.97 3.01 0.10 1.78 0.04 -1.26 -4.98 135.00 132.72 2yup s PRO 9 Ca 0.05 1.47 -0.15 0.00 0.04 0.00 0.00 61.00 62.42 2yup s PRO 9 Cb -0.08 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 2yup s PRO 9 CO 0.01 -1.10 1.43 -1.00 0.04 0.00 0.00 177.00 176.38 2yup h PRO 10 N 0.47 0.72 0.00 0.56 0.13 -2.04 -3.44 132.00 128.40 2yup h PRO 10 Ca -0.48 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.27 2yup h PRO 10 Cb 1.25 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2yup h PRO 10 CO 0.55 0.99 -0.02 2.41 -0.23 0.00 0.00 178.00 181.70 2yup n THR 11 N -4.25 0.42 -3.38 1.56 -1.04 -1.26 -5.13 114.28 101.20 2yup n THR 11 Ca -0.04 0.14 0.02 0.00 -2.04 0.00 0.00 64.05 62.13 2yup n THR 11 Cb 0.47 -0.90 -0.05 0.00 -1.82 0.00 0.00 70.33 68.04 2yup n THR 11 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 2yup s TYR 12 N -2.00 -0.33 0.63 -1.42 -0.85 -1.26 -5.16 117.35 106.96 2yup s TYR 12 Ca 0.00 0.59 -0.18 0.00 -0.52 0.00 0.00 57.07 56.96 2yup s TYR 12 Cb 0.00 0.20 -0.02 0.00 0.38 0.00 0.00 41.96 42.51 2yup s TYR 12 CO 0.00 -0.16 1.22 1.04 -1.52 0.00 0.00 175.55 176.12 2yup n GLN 13 N 4.37 1.12 -0.90 -3.49 6.02 -1.26 -4.82 117.38 118.41 2yup n GLN 13 Ca -0.10 0.43 -0.21 0.00 -0.01 0.00 0.00 57.00 57.11 2yup n GLN 13 Cb 0.55 -2.44 -0.07 0.00 1.02 0.00 0.00 30.24 29.29 2yup n GLN 13 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2yup n VAL 14 N -1.78 2.89 -1.49 5.09 0.24 -1.26 -4.91 118.33 117.10 2yup n VAL 14 Ca 0.15 -1.62 -0.60 0.00 -2.04 0.00 0.00 64.34 60.22 2yup n VAL 14 Cb 0.47 -2.15 -0.10 0.00 -1.47 0.00 0.00 33.84 30.60 2yup n VAL 14 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2yup n LEU 15 N 3.33 1.01 -0.10 1.34 4.77 -1.26 -4.85 117.00 121.24 2yup n LEU 15 Ca 0.49 0.98 -0.15 0.00 -0.03 0.00 0.00 56.01 57.30 2yup n LEU 15 Cb 0.41 -0.81 -0.06 0.00 -2.33 0.00 0.00 43.42 40.64 2yup n LEU 15 CO 0.50 -0.75 -0.70 -0.62 -1.33 0.00 0.00 177.39 174.48 2yup n GLU 16 N 4.43 0.53 -3.25 3.23 1.02 -1.26 -4.96 120.64 120.37 2yup n GLU 16 Ca 0.34 0.40 -0.35 0.00 -0.02 0.00 0.00 57.16 57.52 2yup n GLU 16 Cb -0.05 -1.59 -0.06 0.00 -0.02 0.00 0.00 31.44 29.72 2yup n GLU 16 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2yup s TYR 17 N -2.51 3.59 1.34 -0.32 2.02 -1.26 -4.55 117.35 115.66 2yup s TYR 17 Ca -0.27 1.18 -0.20 0.00 -0.37 0.00 0.00 57.07 57.41 2yup s TYR 17 Cb 0.06 -2.46 0.34 0.00 -0.40 0.00 0.00 41.96 39.50 2yup s TYR 17 CO 0.41 0.35 0.97 0.20 -1.57 0.00 0.00 175.55 175.92 2yup s GLY 18 N -1.79 1.46 -0.04 0.71 0.00 -1.02 -4.83 107.32 101.81 2yup s GLY 18 Ca 0.42 -0.69 0.02 0.00 0.00 0.00 0.00 44.72 44.48 2yup s GLY 18 CO 0.20 0.25 -0.09 1.85 0.00 0.00 0.00 173.10 175.30 2yup s GLU 19 N -4.98 1.17 0.03 2.90 2.12 0.33 -3.41 118.70 116.85 2yup s GLU 19 Ca 0.69 -0.31 -0.05 0.00 0.36 0.00 0.00 54.97 55.66 2yup s GLU 19 Cb -0.15 -1.05 -0.01 0.00 0.26 0.00 0.00 34.13 33.18 2yup s GLU 19 CO 0.59 0.06 0.09 0.00 -0.54 0.00 0.00 175.26 175.46 2yup s ALA 20 N 0.44 -0.11 -0.12 6.30 0.00 -1.24 -2.07 121.76 124.96 2yup s ALA 20 Ca -0.08 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.44 2yup s ALA 20 Cb -0.12 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.22 2yup s ALA 20 CO 0.01 -0.27 -0.13 0.08 0.00 0.00 0.00 175.76 175.46 2yup s VAL 21 N -2.12 1.38 0.13 0.00 1.01 -0.34 -3.32 120.40 117.14 2yup s VAL 21 Ca -0.09 -0.54 -0.31 0.00 0.00 0.00 0.00 61.98 61.04 2yup s VAL 21 Cb -0.04 -1.30 -0.10 0.00 0.00 0.00 0.00 36.38 34.94 2yup s VAL 21 CO -0.02 0.42 1.79 0.00 0.00 0.00 0.00 175.10 177.29 2yup s ALA 22 N 1.30 3.79 -0.22 5.51 0.00 -1.15 0.03 121.76 131.01 2yup s ALA 22 Ca -0.01 1.45 0.02 0.00 0.00 0.00 0.00 51.96 53.42 2yup s ALA 22 Cb -0.14 -3.74 -0.15 0.00 0.00 0.00 0.00 23.12 19.09 2yup s ALA 22 CO -0.06 -1.15 -0.19 1.04 0.00 0.00 0.00 175.76 175.40 2yup n GLN 23 N 5.34 0.57 -4.74 0.00 1.13 -1.09 -1.37 117.38 117.23 2yup n GLN 23 Ca 0.17 0.13 -0.26 0.00 -1.94 0.00 0.00 57.00 55.10 2yup n GLN 23 Cb 0.38 -1.45 -0.16 0.00 0.11 0.00 0.00 30.24 29.12 2yup n GLN 23 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2yup s TYR 24 N -2.45 1.67 0.09 1.08 1.51 -0.98 -4.82 117.35 113.45 2yup s TYR 24 Ca -0.30 -0.59 -0.31 0.00 -1.01 0.00 0.00 57.07 54.86 2yup s TYR 24 Cb 0.08 -1.18 -0.09 0.00 -0.11 0.00 0.00 41.96 40.66 2yup s TYR 24 CO 0.52 -0.26 1.75 0.99 -1.11 0.00 0.00 175.55 177.44 2yup s THR 25 N 0.44 2.83 0.12 -0.71 2.01 -1.26 -4.70 115.64 114.37 2yup s THR 25 Ca -0.12 0.27 0.04 0.00 0.31 0.00 0.00 61.69 62.18 2yup s THR 25 Cb -0.15 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 2yup s THR 25 CO 0.04 -0.00 0.10 0.12 -0.69 0.00 0.00 174.62 174.19 2yup s PHE 26 N 2.87 3.16 -0.19 4.92 2.19 -1.11 -5.03 117.98 124.80 2yup s PHE 26 Ca 0.78 0.03 -0.00 0.00 0.33 0.00 0.00 56.93 58.07 2yup s PHE 26 Cb -0.42 -1.57 0.05 0.00 -1.31 0.00 0.00 43.02 39.76 2yup s PHE 26 CO 0.35 0.52 -0.05 0.21 1.83 0.00 0.00 175.22 178.08 2yup s LYS 27 N -2.69 1.47 -0.02 10.12 2.20 -1.26 -3.89 119.74 125.68 2yup s LYS 27 Ca 0.30 -0.67 -0.01 0.00 -0.36 0.00 0.00 55.97 55.23 2yup s LYS 27 Cb -0.11 -2.22 0.02 0.00 -1.51 0.00 0.00 37.83 34.00 2yup s LYS 27 CO 0.22 -0.50 0.04 0.20 -0.36 0.00 0.00 175.35 174.96 2yup s GLY 28 N 1.57 0.03 -0.22 5.54 0.00 -1.26 -5.02 107.32 107.96 2yup s GLY 28 Ca -0.01 0.26 0.07 0.00 0.00 0.00 0.00 44.72 45.04 2yup s GLY 28 CO -0.07 0.48 -0.04 1.34 0.00 0.00 0.00 173.10 174.81 2yup n ASP 29 N 3.73 1.32 -4.77 1.64 -0.08 -1.26 -4.57 116.55 112.55 2yup n ASP 29 Ca -0.21 -0.04 -0.40 0.00 -1.51 0.00 0.00 54.79 52.63 2yup n ASP 29 Cb 0.54 0.00 0.01 0.00 2.34 0.00 0.00 41.12 44.01 2yup n ASP 29 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2yup s LEU 30 N -6.23 4.23 0.17 -2.67 1.43 -1.26 -4.90 118.68 109.45 2yup s LEU 30 Ca -0.25 2.98 -0.24 0.00 -1.03 0.00 0.00 54.13 55.59 2yup s LEU 30 Cb 0.08 -3.79 0.07 0.00 0.03 0.00 0.00 46.19 42.58 2yup s LEU 30 CO 0.70 -1.00 1.58 -0.08 0.23 0.00 0.00 176.35 177.77 2yup h GLU 31 N 2.70 -0.20 -0.85 1.70 4.81 -1.96 0.11 114.58 120.89 2yup h GLU 31 Ca -0.51 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 58.84 2yup h GLU 31 Cb 1.25 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 30.60 2yup h GLU 31 CO 0.63 -0.13 0.48 -0.39 -0.73 0.00 0.00 179.01 178.87 2yup h VAL 32 N -0.21 0.89 -1.58 0.32 -1.51 -1.90 -3.37 116.25 108.89 2yup h VAL 32 Ca 0.20 -0.27 -0.44 0.00 -1.23 0.00 0.00 66.70 64.96 2yup h VAL 32 Cb 0.56 0.03 -0.04 0.00 -2.13 0.00 0.00 31.29 29.71 2yup h VAL 32 CO -0.67 0.14 1.15 -1.61 -1.23 0.00 0.00 177.57 175.35 2yup s GLU 33 N -6.02 2.65 -0.05 5.19 2.02 0.39 -0.73 118.70 122.16 2yup s GLU 33 Ca -0.12 0.24 -0.25 0.00 0.02 0.00 0.00 54.97 54.86 2yup s GLU 33 Cb 0.20 -4.61 -0.04 0.00 0.10 0.00 0.00 34.13 29.78 2yup s GLU 33 CO 0.78 -2.90 0.75 -1.17 0.02 0.00 0.00 175.26 172.75 2yup s LEU 34 N 9.14 4.33 0.16 1.80 2.96 -0.92 -4.39 118.68 131.77 2yup s LEU 34 Ca 0.66 1.28 0.00 0.00 -0.22 0.00 0.00 54.13 55.85 2yup s LEU 34 Cb -0.10 -3.17 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 2yup s LEU 34 CO 0.13 -0.14 0.33 -0.44 -1.32 0.00 0.00 176.35 174.92 2yup s SER 35 N 0.80 6.38 -0.01 3.68 0.01 -1.26 -4.77 113.70 118.52 2yup s SER 35 Ca 0.40 0.33 -0.29 0.00 1.31 0.00 0.00 55.95 57.70 2yup s SER 35 Cb -0.18 -1.98 0.08 0.00 0.21 0.00 0.00 66.02 64.15 2yup s SER 35 CO 0.20 0.02 0.71 0.72 0.41 0.00 0.00 173.24 175.30 2yup s PHE 36 N -1.77 -0.58 -0.13 2.43 -0.12 -1.25 -5.01 117.98 111.55 2yup s PHE 36 Ca 0.37 0.82 -0.04 0.00 -0.05 0.00 0.00 56.93 58.03 2yup s PHE 36 Cb -0.11 0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 2yup s PHE 36 CO 0.28 -0.63 0.03 1.03 -0.05 0.00 0.00 175.22 175.88 2yup s ARG 37 N -1.90 3.45 0.40 1.99 1.81 -1.26 -2.74 118.95 120.69 2yup s ARG 37 Ca -0.06 -0.38 -0.15 0.00 -1.72 0.00 0.00 55.73 53.42 2yup s ARG 37 Cb -0.00 -2.98 -0.12 0.00 -0.45 0.00 0.00 34.95 31.40 2yup s ARG 37 CO 0.02 0.50 -0.08 1.17 -0.68 0.00 0.00 175.30 176.23 2yup n LYS 38 N 2.79 0.00 0.00 3.54 4.81 -1.26 -1.44 118.16 126.60 2yup n LYS 38 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 2yup n LYS 38 Cb 0.53 -0.80 0.00 0.00 0.02 0.00 0.00 35.03 34.78 2yup n LYS 38 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2yup n GLY 39 N 2.00 1.87 3.20 3.14 0.00 -0.47 -4.92 105.19 110.01 2yup n GLY 39 Ca 0.07 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 2yup n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yup n GLU 40 N 0.00 0.04 -3.84 1.61 1.02 -0.52 -4.55 120.64 114.41 2yup n GLU 40 Ca 0.00 0.02 -0.36 0.00 -0.02 0.00 0.00 57.16 56.81 2yup n GLU 40 Cb 0.00 -1.21 -0.13 0.00 -0.02 0.00 0.00 31.44 30.08 2yup n GLU 40 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2yup s HIS 41 N -2.01 3.43 -0.14 -0.32 3.76 -1.26 -2.95 115.29 115.80 2yup s HIS 41 Ca 0.52 -2.11 -0.20 0.00 -0.15 0.00 0.00 55.06 53.11 2yup s HIS 41 Cb -0.32 -2.67 -0.03 0.00 1.11 0.00 0.00 32.58 30.67 2yup s HIS 41 CO 0.71 -0.88 0.58 0.42 -0.85 0.00 0.00 174.74 174.72 2yup s ILE 42 N 1.21 5.10 -0.41 0.60 1.01 -1.21 -4.84 121.20 122.65 2yup s ILE 42 Ca 0.02 1.13 -0.27 0.00 0.00 0.00 0.00 60.65 61.53 2yup s ILE 42 Cb -0.21 -3.91 0.02 0.00 0.01 0.00 0.00 42.46 38.37 2yup s ILE 42 CO -0.02 0.23 0.99 0.00 0.00 0.00 0.00 174.94 176.13 2yup s LEU 44 N 3.78 3.52 -0.09 0.00 1.43 -1.22 -3.39 118.68 122.70 2yup s LEU 44 Ca 0.41 0.76 -0.06 0.00 -1.03 0.00 0.00 54.13 54.21 2yup s LEU 44 Cb -0.10 -3.39 -0.02 0.00 0.03 0.00 0.00 46.19 42.71 2yup s LEU 44 CO 0.23 -1.58 -0.11 0.40 0.23 0.00 0.00 176.35 175.53 2yup h ILE 45 N 6.52 0.00 -3.50 -0.59 2.04 -1.84 -2.69 117.51 117.46 2yup h ILE 45 Ca -0.28 -0.70 -0.59 0.00 1.00 0.00 0.00 64.86 64.29 2yup h ILE 45 Cb 1.11 0.00 -0.39 0.00 -0.74 0.00 0.00 36.82 36.81 2yup h ILE 45 CO 1.10 0.00 -0.77 -0.13 0.00 0.00 0.00 178.15 178.35 2yup s ARG 46 N -1.80 1.28 -0.69 2.37 0.52 -1.14 -4.87 118.95 114.62 2yup s ARG 46 Ca -0.09 -0.95 -0.25 0.00 -0.52 0.00 0.00 55.73 53.91 2yup s ARG 46 Cb 0.01 -2.45 -0.13 0.00 0.52 0.00 0.00 34.95 32.90 2yup s ARG 46 CO 0.13 -0.69 2.42 1.17 0.02 0.00 0.00 175.30 178.35 2yup n LYS 47 N 4.74 0.70 -0.11 3.54 4.81 -1.26 -2.58 118.16 128.00 2yup n LYS 47 Ca -0.09 -0.47 -0.08 0.00 -0.87 0.00 0.00 58.31 56.80 2yup n LYS 47 Cb 0.44 -3.42 -0.06 0.00 0.02 0.00 0.00 35.03 32.01 2yup n LYS 47 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2yup h VAL 48 N 7.68 0.00 -3.55 3.15 2.07 -1.87 -3.46 116.25 120.27 2yup h VAL 48 Ca -0.09 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.29 2yup h VAL 48 Cb 1.12 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 2yup h VAL 48 CO 1.10 0.00 0.04 0.20 0.02 0.00 0.00 177.57 178.94 2yup s ASN 49 N -4.21 0.43 0.55 0.57 0.01 0.29 -4.95 114.94 107.63 2yup s ASN 49 Ca -0.09 -1.29 0.25 0.00 -0.71 0.00 0.00 52.86 51.02 2yup s ASN 49 Cb 0.05 0.75 1.45 0.00 0.41 0.00 0.00 41.25 43.92 2yup s ASN 49 CO 0.38 -1.48 2.06 1.05 -1.51 0.00 0.00 177.10 177.59 2yup h GLU 50 N 2.06 0.00 0.00 -0.60 4.11 -2.03 -3.13 114.58 114.98 2yup h GLU 50 Ca -0.30 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 58.80 2yup h GLU 50 Cb 1.25 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.44 2yup h GLU 50 CO 0.39 0.00 -2.13 0.09 0.07 0.00 0.00 179.01 177.43 2yup n ASN 51 N -4.21 1.67 -4.87 3.06 3.02 -1.26 -4.89 115.26 107.77 2yup n ASN 51 Ca 0.05 0.17 -0.30 0.00 -0.03 0.00 0.00 54.58 54.46 2yup n ASN 51 Cb 0.42 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 39.03 2yup n ASN 51 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2yup s TRP 52 N -2.37 3.51 -0.16 3.10 0.52 -1.18 0.36 118.94 122.71 2yup s TRP 52 Ca -0.28 1.16 -0.10 0.00 0.02 0.00 0.00 56.10 56.90 2yup s TRP 52 Cb 0.10 -2.56 0.05 0.00 -1.15 0.00 0.00 33.47 29.91 2yup s TRP 52 CO 0.38 -0.31 0.41 0.71 0.02 0.00 0.00 176.95 178.15 2yup s TYR 53 N -2.65 -0.56 -0.38 -1.98 2.02 -0.38 -0.55 117.35 112.87 2yup s TYR 53 Ca 0.53 1.22 -0.15 0.00 -0.37 0.00 0.00 57.07 58.31 2yup s TYR 53 Cb -0.10 0.23 0.00 0.00 -0.40 0.00 0.00 41.96 41.69 2yup s TYR 53 CO 0.38 -0.31 0.33 -2.00 -1.57 0.00 0.00 175.55 172.38 2yup s GLU 54 N 1.08 3.25 0.00 -0.62 2.12 -1.06 -0.71 118.70 122.76 2yup s GLU 54 Ca -0.07 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.52 2yup s GLU 54 Cb -0.07 -3.90 0.00 0.00 0.26 0.00 0.00 34.13 30.42 2yup s GLU 54 CO -0.09 -0.65 0.00 0.41 -0.54 0.00 0.00 175.26 174.39 2yup n GLY 55 N 5.09 6.25 3.65 -1.50 0.00 -0.31 -2.53 105.19 115.83 2yup n GLY 55 Ca -0.10 -1.70 -0.09 0.00 0.00 0.00 0.00 46.02 44.13 2yup n GLY 55 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2yup s ARG 56 N 1.32 1.54 -0.78 1.61 1.70 -1.22 -2.94 118.95 120.18 2yup s ARG 56 Ca 0.00 -0.80 0.02 0.00 -0.47 0.00 0.00 55.73 54.49 2yup s ARG 56 Cb 0.00 0.59 0.20 0.00 -0.57 0.00 0.00 34.95 35.17 2yup s ARG 56 CO 0.00 -0.69 0.67 -0.89 -1.08 0.00 0.00 175.30 173.31 2yup n ILE 57 N -0.41 2.37 -0.98 4.99 2.08 -1.05 -3.63 119.36 122.73 2yup n ILE 57 Ca -0.09 -5.05 -0.47 0.00 0.56 0.00 0.00 62.75 57.70 2yup n ILE 57 Cb 0.62 -2.24 -0.09 0.00 -0.75 0.00 0.00 39.64 37.17 2yup n ILE 57 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 2yup n THR 58 N 1.90 0.00 0.00 1.39 5.66 -1.26 -0.50 114.28 121.47 2yup n THR 58 Ca 0.22 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.22 2yup n THR 58 Cb 0.36 -0.39 0.00 0.00 -1.55 0.00 0.00 70.33 68.75 2yup n THR 58 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2yup n GLY 59 N 5.75 3.52 3.40 1.09 0.00 -1.26 -5.08 105.19 112.61 2yup n GLY 59 Ca 0.42 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 2yup n GLY 59 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2yup s THR 60 N 0.00 2.65 0.60 2.61 -4.23 0.34 -4.99 115.64 112.61 2yup s THR 60 Ca 0.00 -0.88 0.30 0.00 -1.18 0.00 0.00 61.69 59.93 2yup s THR 60 Cb 0.00 -2.00 0.42 0.00 1.34 0.00 0.00 72.50 72.26 2yup s THR 60 CO 0.00 0.58 1.57 1.23 -0.54 0.00 0.00 174.62 177.46 2yup h GLY 61 N 5.47 0.00 -6.11 3.99 0.00 -1.99 -3.40 103.07 101.04 2yup h GLY 61 Ca -0.44 0.00 -0.78 0.00 0.00 0.00 0.00 47.33 46.11 2yup h GLY 61 CO 0.49 0.00 0.35 0.54 0.00 0.00 0.00 176.54 177.92 2yup n ARG 62 N -3.50 0.37 -3.42 4.80 3.00 -1.26 -4.91 116.66 111.73 2yup n ARG 62 Ca 0.19 0.13 0.01 0.00 -0.01 0.00 0.00 57.85 58.18 2yup n ARG 62 Cb 1.22 -1.68 -0.05 0.00 0.00 0.00 0.00 32.46 31.96 2yup n ARG 62 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 2yup s GLN 63 N 1.05 0.24 0.00 5.56 0.74 -1.26 -2.53 119.66 123.46 2yup s GLN 63 Ca 0.93 0.55 0.00 0.00 0.05 0.00 0.00 55.36 56.89 2yup s GLN 63 Cb -1.23 0.28 0.00 0.00 1.10 0.00 0.00 33.01 33.16 2yup s GLN 63 CO 0.61 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.68 2yup n GLY 64 N 4.55 1.31 3.50 2.59 0.00 -1.15 -4.80 105.19 111.19 2yup n GLY 64 Ca -0.11 0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 2yup n GLY 64 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2yup s ILE 65 N 1.43 1.84 -0.05 -0.61 -4.36 0.10 -1.17 121.20 118.38 2yup s ILE 65 Ca 0.00 -2.11 -0.29 0.00 -0.26 0.00 0.00 60.65 57.98 2yup s ILE 65 Cb 0.00 -2.65 0.10 0.00 1.25 0.00 0.00 42.46 41.16 2yup s ILE 65 CO 0.00 -0.18 0.84 0.72 0.24 0.00 0.00 174.94 176.56 2yup s PHE 66 N -2.86 -0.46 0.22 1.37 -0.71 0.11 -2.17 117.98 113.49 2yup s PHE 66 Ca 0.32 0.60 -0.30 0.00 -1.04 0.00 0.00 56.93 56.51 2yup s PHE 66 Cb 0.05 0.48 -0.09 0.00 -1.21 0.00 0.00 43.02 42.25 2yup s PHE 66 CO 0.15 -0.53 1.28 -1.25 -1.34 0.00 0.00 175.22 173.53 2yup s PRO 67 N -2.03 4.41 0.01 1.99 0.04 -1.26 -1.25 135.00 136.91 2yup s PRO 67 Ca -0.02 2.04 -0.25 0.00 0.04 0.00 0.00 61.00 62.81 2yup s PRO 67 Cb -0.01 -3.18 -0.18 0.00 0.04 0.00 0.00 34.50 31.18 2yup s PRO 67 CO -0.01 -0.19 1.32 0.00 0.04 0.00 0.00 177.00 178.16 2yup h ALA 68 N 4.94 -0.19 -1.80 8.56 0.00 -0.42 -2.96 119.26 127.38 2yup h ALA 68 Ca -0.45 -0.18 0.53 0.00 0.00 0.00 0.00 54.91 54.81 2yup h ALA 68 Cb 1.22 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.99 2yup h ALA 68 CO 0.74 -0.44 1.28 0.77 0.00 0.00 0.00 179.25 181.60 2yup h SER 69 N -0.54 0.04 -0.08 0.00 0.02 -1.93 1.69 113.55 112.75 2yup h SER 69 Ca -0.02 0.03 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 2yup h SER 69 Cb 0.42 0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.00 2yup h SER 69 CO 0.03 -0.04 -0.80 1.88 -1.14 0.00 0.00 176.83 176.76 2yup h TYR 70 N 0.01 1.01 -1.33 3.45 -1.99 -1.90 -3.46 116.97 112.75 2yup h TYR 70 Ca 0.90 -0.46 -0.46 0.00 2.00 0.00 0.00 58.73 60.70 2yup h TYR 70 Cb 3.47 -0.15 -0.00 0.00 2.00 0.00 0.00 36.73 42.04 2yup h TYR 70 CO -0.00 1.28 -0.28 0.14 -0.00 0.00 0.00 178.16 179.30 2yup s VAL 71 N -3.69 2.69 -0.21 -2.88 -7.23 0.58 -2.33 120.40 107.33 2yup s VAL 71 Ca -0.10 -1.15 -0.06 0.00 -1.81 0.00 0.00 61.98 58.87 2yup s VAL 71 Cb 0.09 -2.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.16 2yup s VAL 71 CO 0.90 0.00 0.01 -1.58 -0.31 0.00 0.00 175.10 174.12 2yup s GLN 72 N -4.31 3.62 -0.22 4.82 2.00 0.10 -4.81 119.66 120.86 2yup s GLN 72 Ca 0.52 -0.51 -0.21 0.00 -2.00 0.00 0.00 55.36 53.16 2yup s GLN 72 Cb -0.07 -3.13 -0.02 0.00 0.80 0.00 0.00 33.01 30.59 2yup s GLN 72 CO 0.31 -0.04 0.65 0.08 -0.50 0.00 0.00 175.29 175.80 2yup s VAL 73 N 1.14 4.99 -0.06 1.34 1.01 -1.26 -1.20 120.40 126.37 2yup s VAL 73 Ca 0.03 1.21 -0.00 0.00 0.00 0.00 0.00 61.98 63.21 2yup s VAL 73 Cb -0.14 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2yup s VAL 73 CO 0.02 0.07 -0.06 -0.24 0.00 0.00 0.00 175.10 174.89 2yup n SER 74 N 5.32 2.75 -3.66 3.32 2.88 -0.96 -4.96 113.62 118.31 2yup n SER 74 Ca -0.00 -0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.24 2yup n SER 74 Cb 0.49 -0.11 -0.15 0.00 -0.75 0.00 0.00 64.21 63.69 2yup n SER 74 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2yup s ARG 75 N -2.11 0.57 0.46 -1.46 6.06 -0.88 -4.95 118.95 116.64 2yup s ARG 75 Ca -0.08 -0.98 -0.24 0.00 -2.50 0.00 0.00 55.73 51.93 2yup s ARG 75 Cb 0.02 -1.71 -0.07 0.00 0.06 0.00 0.00 34.95 33.25 2yup s ARG 75 CO 0.12 -1.02 1.34 -1.21 -2.50 0.00 0.00 175.30 172.03 2yup s GLU 76 N 1.66 3.63 0.85 5.12 2.02 -1.26 -0.51 118.70 130.21 2yup s GLU 76 Ca 0.11 2.22 -0.14 0.00 0.02 0.00 0.00 54.97 57.17 2yup s GLU 76 Cb -0.18 -2.55 0.21 0.00 0.10 0.00 0.00 34.13 31.71 2yup s GLU 76 CO -0.26 -0.79 0.76 -0.35 0.02 0.00 0.00 175.26 174.64 2yup n PRO 77 N -0.35 -2.52 -3.93 0.39 -0.04 -1.26 -4.67 135.00 122.63 2yup n PRO 77 Ca 0.06 -1.21 -0.15 0.00 -0.04 0.00 0.00 63.50 62.17 2yup n PRO 77 Cb 0.44 -1.14 -0.15 0.00 -0.04 0.00 0.00 33.50 32.61 2yup n PRO 77 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2yup s ARG 78 N -4.71 0.16 -0.04 0.54 3.00 -1.26 -4.97 118.95 111.66 2yup s ARG 78 Ca 0.49 0.01 -0.09 0.00 -1.00 0.00 0.00 55.73 55.15 2yup s ARG 78 Cb -0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 34.95 34.62 2yup s ARG 78 CO 0.38 -0.04 -0.17 1.28 0.00 0.00 0.00 175.30 176.75 2yup n LEU 79 N 3.50 1.47 -2.18 -0.88 7.99 -1.26 -4.86 117.00 120.78 2yup n LEU 79 Ca -0.19 0.23 -0.08 0.00 -0.01 0.00 0.00 56.01 55.96 2yup n LEU 79 Cb 0.56 -0.52 0.05 0.00 -0.11 0.00 0.00 43.42 43.40 2yup n LEU 79 CO 0.24 -0.46 0.10 0.54 -1.51 0.00 0.00 177.39 176.31 2yup n ARG 80 N -3.93 2.20 -3.79 3.23 3.00 -1.26 -4.98 116.66 111.12 2yup n ARG 80 Ca -0.08 -3.55 -0.23 0.00 -0.01 0.00 0.00 57.85 53.97 2yup n ARG 80 Cb 0.29 -1.67 -0.07 0.00 0.00 0.00 0.00 32.46 31.01 2yup n ARG 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2yup n LEU 81 N -0.56 -0.68 -4.98 0.55 4.32 -1.26 -4.89 117.00 109.51 2yup n LEU 81 Ca 0.21 -0.91 -0.23 0.00 -0.02 0.00 0.00 56.01 55.06 2yup n LEU 81 Cb 0.89 -1.13 0.08 0.00 -1.62 0.00 0.00 43.42 41.64 2yup n LEU 81 CO 0.17 0.32 0.51 0.00 -1.22 0.00 0.00 177.39 177.16 2yup s ASP 83 N -4.61 6.65 -0.24 0.00 -1.08 -1.26 -5.05 116.67 111.08 2yup s ASP 83 Ca 0.63 0.77 -0.09 0.00 -0.52 0.00 0.00 52.55 53.34 2yup s ASP 83 Cb -0.08 -2.29 0.10 0.00 -1.46 0.00 0.00 42.92 39.20 2yup s ASP 83 CO 0.43 -0.06 0.52 -0.62 0.52 0.00 0.00 175.17 175.96 2yup s ASP 84 N 0.79 -0.63 -0.30 -0.34 2.15 -1.26 -5.12 116.67 111.95 2yup s ASP 84 Ca 0.25 1.22 -0.01 0.00 0.43 0.00 0.00 52.55 54.45 2yup s ASP 84 Cb -0.15 1.64 0.10 0.00 -0.30 0.00 0.00 42.92 44.21 2yup s ASP 84 CO 0.10 -0.23 0.10 -0.44 -0.17 0.00 0.00 175.17 174.53 2yup s SER 85 N 2.56 3.96 0.00 -0.34 0.01 -1.26 -5.04 113.70 113.58 2yup s SER 85 Ca -0.04 -1.58 0.00 0.00 1.31 0.00 0.00 55.95 55.64 2yup s SER 85 Cb -0.11 -0.83 0.00 0.00 0.21 0.00 0.00 66.02 65.29 2yup s SER 85 CO -0.15 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.70 2yup n GLY 86 N 4.88 0.36 3.55 3.44 0.00 -1.26 -4.95 105.19 111.22 2yup n GLY 86 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2yup n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yup s PRO 87 N 0.50 2.59 0.14 1.61 0.04 -1.26 -4.84 135.00 133.77 2yup s PRO 87 Ca 0.00 0.16 -0.18 0.00 0.04 0.00 0.00 61.00 61.02 2yup s PRO 87 Cb 0.00 -4.72 -0.02 0.00 0.04 0.00 0.00 34.50 29.80 2yup s PRO 87 CO 0.00 -3.05 1.79 1.03 0.04 0.00 0.00 177.00 176.80 2yup h SER 88 N 13.15 0.30 -3.75 6.66 0.87 -2.02 -3.43 113.55 125.33 2yup h SER 88 Ca -0.08 -0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.19 2yup h SER 88 Cb 1.08 -0.07 -0.29 0.00 -0.44 0.00 0.00 62.40 62.68 2yup h SER 88 CO 1.21 0.22 -0.74 -0.55 -0.53 0.00 0.00 176.83 176.45 2yup s SER 89 N -5.44 0.28 0.00 6.23 0.15 -1.26 -5.27 113.70 108.39 2yup s SER 89 Ca -0.13 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.48 2yup s SER 89 Cb 0.10 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 2yup s SER 89 CO 0.71 0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.76