#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 6.32 -0.27 1.61 0.01 -1.26 -5.04 113.70 115.07 2yup s SER 2 Ca 0.00 0.57 -0.13 0.00 1.31 0.00 0.00 55.95 57.70 2yup s SER 2 Cb 0.00 -2.08 -0.13 0.00 0.21 0.00 0.00 66.02 64.01 2yup s SER 2 CO 0.00 -0.32 -0.30 -0.24 0.41 0.00 0.00 173.24 172.79 2yup n SER 3 N -1.69 1.96 -4.55 2.44 2.88 -1.26 -4.85 113.62 108.54 2yup n SER 3 Ca -0.03 0.29 -0.36 0.00 -1.33 0.00 0.00 58.87 57.44 2yup n SER 3 Cb 0.56 -0.79 -0.03 0.00 -0.75 0.00 0.00 64.21 63.20 2yup n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yup s GLY 4 N -5.57 -0.22 -0.03 0.46 0.00 -1.26 -4.92 107.32 95.78 2yup s GLY 4 Ca -0.38 -0.25 -0.02 0.00 0.00 0.00 0.00 44.72 44.08 2yup s GLY 4 CO 0.51 3.89 0.07 -0.45 0.00 0.00 0.00 173.10 177.12 2yup s SER 5 N 10.72 -0.06 -1.63 1.64 0.15 -1.26 -4.87 113.70 118.39 2yup s SER 5 Ca 0.86 0.15 -0.13 0.00 0.70 0.00 0.00 55.95 57.53 2yup s SER 5 Cb -0.15 0.11 0.11 0.00 -1.71 0.00 0.00 66.02 64.38 2yup s SER 5 CO 0.24 -0.06 0.65 -0.24 1.20 0.00 0.00 173.24 175.03 2yup n SER 6 N 3.42 -2.32 -2.57 5.45 2.88 -1.26 -4.81 113.62 114.41 2yup n SER 6 Ca -0.17 -1.03 -0.04 0.00 -1.33 0.00 0.00 58.87 56.30 2yup n SER 6 Cb 0.57 -2.74 0.09 0.00 -0.75 0.00 0.00 64.21 61.38 2yup n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yup n GLY 7 N -1.60 1.07 3.77 0.46 0.00 -1.26 -5.14 105.19 102.48 2yup n GLY 7 Ca -0.04 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 0.13 3.82 0.92 1.61 -2.85 -1.26 -5.02 119.74 117.09 2yup s LYS 8 Ca 0.13 1.91 -0.12 0.00 -1.00 0.00 0.00 55.97 56.89 2yup s LYS 8 Cb 0.33 -2.53 0.14 0.00 -2.06 0.00 0.00 37.83 33.71 2yup s LYS 8 CO -0.08 -0.54 1.09 -1.25 0.10 0.00 0.00 175.35 174.67 2yup s PRO 9 N -2.52 1.07 0.59 1.78 0.04 -1.26 -5.05 135.00 129.64 2yup s PRO 9 Ca 0.61 0.75 -0.10 0.00 0.04 0.00 0.00 61.00 62.30 2yup s PRO 9 Cb -0.32 -1.79 0.15 0.00 0.04 0.00 0.00 34.50 32.57 2yup s PRO 9 CO 0.40 -2.35 0.53 -0.35 0.04 0.00 0.00 177.00 175.26 2yup n PRO 10 N -3.95 -2.05 0.03 0.56 -0.04 -1.26 -5.06 135.00 123.24 2yup n PRO 10 Ca 0.07 -0.84 0.00 0.00 -0.04 0.00 0.00 63.50 62.69 2yup n PRO 10 Cb 0.56 -0.79 0.00 0.00 -0.04 0.00 0.00 33.50 33.23 2yup n PRO 10 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2yup n THR 11 N -3.64 0.78 -3.55 0.52 -1.04 -1.26 -5.10 114.28 100.99 2yup n THR 11 Ca 0.07 0.26 -0.01 0.00 -2.04 0.00 0.00 64.05 62.33 2yup n THR 11 Cb 0.28 -1.52 -0.05 0.00 -1.82 0.00 0.00 70.33 67.22 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 -0.66 0.77 -1.42 -0.85 -1.26 -5.16 117.35 106.77 2yup s TYR 12 Ca 0.00 1.23 -0.16 0.00 -0.52 0.00 0.00 57.07 57.62 2yup s TYR 12 Cb 0.00 0.39 -0.03 0.00 0.38 0.00 0.00 41.96 42.70 2yup s TYR 12 CO 0.00 -0.33 0.42 0.00 -1.52 0.00 0.00 175.55 174.12 2yup n GLN 13 N 4.29 0.17 -2.80 -3.49 0.00 -1.26 -4.85 117.38 109.43 2yup n GLN 13 Ca -0.15 0.10 -0.43 0.00 0.00 0.00 0.00 57.00 56.52 2yup n GLN 13 Cb 0.55 -1.76 -0.01 0.00 0.00 0.00 0.00 30.24 29.02 2yup n GLN 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 2yup s VAL 14 N -2.01 4.59 -0.49 -0.39 -7.23 -1.26 -4.96 120.40 108.66 2yup s VAL 14 Ca 0.62 -1.95 -0.44 0.00 -1.81 0.00 0.00 61.98 58.40 2yup s VAL 14 Cb -0.32 -4.96 -0.19 0.00 0.56 0.00 0.00 36.38 31.46 2yup s VAL 14 CO 0.61 -1.73 1.90 0.18 -0.31 0.00 0.00 175.10 175.75 2yup n LEU 15 N 6.95 0.90 0.18 1.32 7.99 -1.26 -4.83 117.00 128.24 2yup n LEU 15 Ca 0.36 0.85 -0.14 0.00 -0.01 0.00 0.00 56.01 57.07 2yup n LEU 15 Cb 0.46 -0.87 -0.08 0.00 -0.11 0.00 0.00 43.42 42.82 2yup n LEU 15 CO 0.63 -0.78 0.58 -0.08 -1.51 0.00 0.00 177.39 176.23 2yup h GLU 16 N 7.38 -0.44 -7.37 3.23 4.57 -2.01 -3.45 114.58 116.50 2yup h GLU 16 Ca -0.22 0.03 -0.41 0.00 -1.18 0.00 0.00 59.36 57.58 2yup h GLU 16 Cb 1.37 0.10 0.20 0.00 -0.16 0.00 0.00 28.75 30.26 2yup h GLU 16 CO 1.03 -0.14 0.10 0.71 -1.18 0.00 0.00 179.01 179.53 2yup s TYR 17 N -4.94 0.15 0.65 0.92 2.02 -1.26 -4.95 117.35 109.94 2yup s TYR 17 Ca -0.15 0.43 -0.17 0.00 -0.37 0.00 0.00 57.07 56.82 2yup s TYR 17 Cb 0.03 -3.43 -0.07 0.00 -0.40 0.00 0.00 41.96 38.08 2yup s TYR 17 CO 0.56 -4.12 0.43 0.41 -1.57 0.00 0.00 175.55 171.26 2yup n GLY 18 N -0.73 -1.76 3.31 0.71 0.00 -0.95 -4.78 105.19 100.98 2yup n GLY 18 Ca 0.14 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 2yup n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yup s GLU 19 N -2.30 2.85 0.09 1.61 2.56 -0.48 -2.51 118.70 120.53 2yup s GLU 19 Ca 0.65 -0.82 -0.07 0.00 0.00 0.00 0.00 54.97 54.73 2yup s GLU 19 Cb -0.40 -2.33 -0.01 0.00 2.00 0.00 0.00 34.13 33.39 2yup s GLU 19 CO 0.58 0.33 0.16 0.00 -0.56 0.00 0.00 175.26 175.77 2yup s ALA 20 N -0.01 -0.07 -0.07 6.30 0.00 -1.22 -1.57 121.76 125.12 2yup s ALA 20 Ca -0.07 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.16 2yup s ALA 20 Cb -0.15 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.48 2yup s ALA 20 CO 0.05 -0.50 -0.08 0.08 0.00 0.00 0.00 175.76 175.31 2yup s VAL 21 N -3.88 0.88 -0.34 0.00 1.01 -0.32 -3.37 120.40 114.38 2yup s VAL 21 Ca 0.06 -0.29 -0.28 0.00 0.00 0.00 0.00 61.98 61.48 2yup s VAL 21 Cb 0.05 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 2yup s VAL 21 CO -0.10 0.31 2.01 0.00 0.00 0.00 0.00 175.10 177.33 2yup s ALA 22 N 1.05 2.61 -0.14 5.51 0.00 -1.10 -0.44 121.76 129.26 2yup s ALA 22 Ca -0.08 0.32 -0.18 0.00 0.00 0.00 0.00 51.96 52.01 2yup s ALA 22 Cb -0.14 -4.10 -0.25 0.00 0.00 0.00 0.00 23.12 18.63 2yup s ALA 22 CO -0.01 -3.02 0.49 1.96 0.00 0.00 0.00 175.76 175.18 2yup h GLN 23 N 14.57 0.15 -5.73 0.00 1.08 -1.79 0.16 115.11 123.56 2yup h GLN 23 Ca -0.34 -0.26 -0.66 0.00 -1.45 0.00 0.00 58.65 55.94 2yup h GLN 23 Cb 1.20 0.10 -0.32 0.00 -0.05 0.00 0.00 27.48 28.41 2yup h GLN 23 CO 1.04 1.12 -0.87 0.71 -0.95 0.00 0.00 178.83 179.88 2yup s TYR 24 N -2.42 2.27 0.35 2.96 1.51 -0.49 -4.78 117.35 116.74 2yup s TYR 24 Ca -0.22 -0.71 -0.29 0.00 -1.01 0.00 0.00 57.07 54.84 2yup s TYR 24 Cb 0.04 -1.50 -0.11 0.00 -0.11 0.00 0.00 41.96 40.27 2yup s TYR 24 CO 0.71 -0.24 1.52 2.41 -1.11 0.00 0.00 175.55 178.85 2yup n THR 25 N 3.09 1.63 -4.36 -0.71 -1.04 -1.26 -4.71 114.28 106.92 2yup n THR 25 Ca -0.18 -0.41 -0.20 0.00 -2.04 0.00 0.00 64.05 61.22 2yup n THR 25 Cb 0.52 -1.96 -0.10 0.00 -1.82 0.00 0.00 70.33 66.97 2yup n THR 25 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2yup s PHE 26 N -0.70 1.83 -0.00 -1.42 5.36 -1.14 -5.02 117.98 116.89 2yup s PHE 26 Ca 0.57 -0.50 0.01 0.00 -0.96 0.00 0.00 56.93 56.05 2yup s PHE 26 Cb -0.49 -0.86 0.00 0.00 -0.34 0.00 0.00 43.02 41.34 2yup s PHE 26 CO 0.58 0.41 -0.02 0.21 -1.46 0.00 0.00 175.22 174.94 2yup s LYS 27 N -3.38 0.18 -0.26 10.12 2.47 -1.26 -3.99 119.74 123.61 2yup s LYS 27 Ca 0.22 -0.06 -0.14 0.00 -1.56 0.00 0.00 55.97 54.43 2yup s LYS 27 Cb -0.03 -0.19 0.08 0.00 -1.46 0.00 0.00 37.83 36.24 2yup s LYS 27 CO 0.08 0.03 0.63 0.20 0.16 0.00 0.00 175.35 176.46 2yup s GLY 28 N 0.03 -0.59 -0.03 5.54 0.00 -1.26 -4.97 107.32 106.03 2yup s GLY 28 Ca -0.00 2.26 0.01 0.00 0.00 0.00 0.00 44.72 46.99 2yup s GLY 28 CO -0.00 2.38 0.71 -0.55 0.00 0.00 0.00 173.10 175.64 2yup h ASP 29 N 7.17 0.26 -3.49 1.64 5.19 -1.99 -3.45 116.42 121.75 2yup h ASP 29 Ca -0.29 -0.45 -0.52 0.00 -0.62 0.00 0.00 57.03 55.15 2yup h ASP 29 Cb 1.20 -0.09 0.02 0.00 0.18 0.00 0.00 39.33 40.65 2yup h ASP 29 CO 0.17 1.39 0.58 -0.76 -3.12 0.00 0.00 179.24 177.50 2yup s LEU 30 N -6.72 4.44 0.19 1.55 1.43 -1.26 -4.93 118.68 113.38 2yup s LEU 30 Ca -0.10 2.30 -0.25 0.00 -1.03 0.00 0.00 54.13 55.05 2yup s LEU 30 Cb 0.07 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.75 2yup s LEU 30 CO 0.82 -0.41 1.55 -0.08 0.23 0.00 0.00 176.35 178.47 2yup h GLU 31 N 5.13 -0.06 -0.81 1.70 4.22 -1.96 0.41 114.58 123.21 2yup h GLU 31 Ca -0.45 0.00 0.18 0.00 0.08 0.00 0.00 59.36 59.17 2yup h GLU 31 Cb 1.21 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.37 2yup h GLU 31 CO 0.74 -0.04 0.30 -0.39 -2.18 0.00 0.00 179.01 177.44 2yup h VAL 32 N -0.06 0.55 -0.61 0.32 -1.51 -1.92 -3.32 116.25 109.70 2yup h VAL 32 Ca 0.23 -0.13 -0.27 0.00 -1.23 0.00 0.00 66.70 65.30 2yup h VAL 32 Cb 0.52 0.13 -0.04 0.00 -2.13 0.00 0.00 31.29 29.77 2yup h VAL 32 CO -0.89 0.07 0.72 -1.61 -1.23 0.00 0.00 177.57 174.63 2yup s GLU 33 N -5.98 2.41 0.34 5.19 2.02 0.14 0.06 118.70 122.88 2yup s GLU 33 Ca -0.12 -0.43 -0.27 0.00 0.02 0.00 0.00 54.97 54.17 2yup s GLU 33 Cb 0.23 -5.08 -0.09 0.00 0.10 0.00 0.00 34.13 29.29 2yup s GLU 33 CO 0.77 -3.69 1.07 -1.17 0.02 0.00 0.00 175.26 172.26 2yup s LEU 34 N 10.96 4.35 0.30 1.80 2.96 -0.38 -4.30 118.68 134.36 2yup s LEU 34 Ca 0.72 2.14 0.09 0.00 -0.22 0.00 0.00 54.13 56.86 2yup s LEU 34 Cb -0.06 -3.91 -0.04 0.00 0.50 0.00 0.00 46.19 42.68 2yup s LEU 34 CO 0.04 -0.31 0.06 -0.44 -1.32 0.00 0.00 176.35 174.38 2yup s SER 35 N -1.24 4.60 -0.23 3.68 0.01 -1.26 -4.74 113.70 114.53 2yup s SER 35 Ca 0.51 -0.71 -0.27 0.00 1.31 0.00 0.00 55.95 56.80 2yup s SER 35 Cb -0.27 -0.80 0.11 0.00 0.21 0.00 0.00 66.02 65.27 2yup s SER 35 CO 0.34 -0.13 0.95 0.72 0.41 0.00 0.00 173.24 175.53 2yup s PHE 36 N -2.37 -0.51 -0.07 2.43 -0.12 -1.26 -4.99 117.98 111.10 2yup s PHE 36 Ca 0.34 1.12 -0.14 0.00 -0.05 0.00 0.00 56.93 58.20 2yup s PHE 36 Cb -0.04 0.38 -0.05 0.00 -0.63 0.00 0.00 43.02 42.67 2yup s PHE 36 CO 0.21 -0.31 0.36 1.03 -0.05 0.00 0.00 175.22 176.45 2yup s ARG 37 N -0.22 3.99 -0.22 1.99 0.52 -1.26 -2.88 118.95 120.87 2yup s ARG 37 Ca 0.00 0.28 -0.43 0.00 -0.52 0.00 0.00 55.73 55.06 2yup s ARG 37 Cb -0.03 -3.29 -0.20 0.00 0.52 0.00 0.00 34.95 31.94 2yup s ARG 37 CO -0.02 0.53 1.30 1.17 0.02 0.00 0.00 175.30 178.30 2yup n LYS 38 N 2.49 0.00 0.00 3.54 4.81 -1.26 -0.95 118.16 126.79 2yup n LYS 38 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 2yup n LYS 38 Cb 0.52 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.08 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 2.59 3.11 3.20 3.14 0.00 0.56 -4.97 105.19 112.83 2yup n GLY 39 Ca 0.25 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.12 -3.85 1.61 -0.58 -0.13 -4.55 120.64 113.03 2yup n GLU 40 Ca 0.00 -0.02 -0.35 0.00 -0.42 0.00 0.00 57.16 56.37 2yup n GLU 40 Cb 0.00 -1.41 -0.13 0.00 -0.57 0.00 0.00 31.44 29.34 2yup n GLU 40 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2yup s HIS 41 N -2.18 3.54 0.13 -0.32 3.76 -1.26 -2.71 115.29 116.25 2yup s HIS 41 Ca 0.48 -2.38 -0.26 0.00 -0.15 0.00 0.00 55.06 52.76 2yup s HIS 41 Cb -0.20 -2.91 -0.07 0.00 1.11 0.00 0.00 32.58 30.51 2yup s HIS 41 CO 0.75 -0.93 0.80 0.42 -0.85 0.00 0.00 174.74 174.93 2yup s ILE 42 N 1.13 4.47 -0.48 0.60 1.01 -1.22 -4.88 121.20 121.84 2yup s ILE 42 Ca 0.05 1.74 -0.16 0.00 0.00 0.00 0.00 60.65 62.28 2yup s ILE 42 Cb -0.21 -4.16 0.07 0.00 0.01 0.00 0.00 42.46 38.16 2yup s ILE 42 CO -0.04 0.45 0.45 0.00 0.00 0.00 0.00 174.94 175.80 2yup s LEU 44 N 1.85 3.27 0.07 0.00 1.43 -1.04 -2.61 118.68 121.65 2yup s LEU 44 Ca 0.06 -1.18 -0.29 0.00 -1.03 0.00 0.00 54.13 51.69 2yup s LEU 44 Cb -0.23 -2.57 -0.18 0.00 0.03 0.00 0.00 46.19 43.24 2yup s LEU 44 CO 0.08 -2.42 1.62 0.40 0.23 0.00 0.00 176.35 176.25 2yup h ILE 45 N 6.82 0.55 -2.42 -0.59 2.04 -1.81 -2.52 117.51 119.58 2yup h ILE 45 Ca 0.17 -0.06 -0.07 0.00 1.00 0.00 0.00 64.86 65.90 2yup h ILE 45 Cb 0.98 0.58 -0.25 0.00 -0.74 0.00 0.00 36.82 37.40 2yup h ILE 45 CO 1.28 0.01 -0.20 0.00 0.00 0.00 0.00 178.15 179.24 2yup s ARG 46 N -5.95 0.49 0.20 2.37 1.70 -1.23 -4.82 118.95 111.71 2yup s ARG 46 Ca -0.16 0.95 -0.32 0.00 -0.47 0.00 0.00 55.73 55.73 2yup s ARG 46 Cb 0.04 0.07 -0.12 0.00 -0.57 0.00 0.00 34.95 34.37 2yup s ARG 46 CO 0.62 -0.16 1.72 1.17 -1.08 0.00 0.00 175.30 177.57 2yup n LYS 47 N 4.38 2.71 -0.03 3.89 4.81 -1.26 -3.71 118.16 128.95 2yup n LYS 47 Ca -0.21 0.98 -0.12 0.00 -0.87 0.00 0.00 58.31 58.08 2yup n LYS 47 Cb 0.56 -2.82 -0.14 0.00 0.02 0.00 0.00 35.03 32.64 2yup n LYS 47 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2yup n VAL 48 N 3.97 1.62 -3.49 3.15 3.14 -1.25 -4.90 118.33 120.57 2yup n VAL 48 Ca 0.16 -0.76 -0.11 0.00 -2.96 0.00 0.00 64.34 60.67 2yup n VAL 48 Cb 0.34 -1.15 -0.02 0.00 -1.06 0.00 0.00 33.84 31.95 2yup n VAL 48 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2yup s ASN 49 N -6.26 -0.51 0.00 6.55 0.01 -1.04 -4.95 114.94 108.73 2yup s ASN 49 Ca -0.11 -0.08 0.01 0.00 -0.71 0.00 0.00 52.86 51.96 2yup s ASN 49 Cb 0.07 0.60 0.03 0.00 0.41 0.00 0.00 41.25 42.37 2yup s ASN 49 CO 0.80 -1.00 1.02 -1.84 -1.51 0.00 0.00 177.10 174.58 2yup n GLU 50 N -0.38 0.00 0.00 -0.60 0.00 -1.26 -2.97 120.64 115.43 2yup n GLU 50 Ca -0.15 0.49 0.00 0.00 0.00 0.00 0.00 57.16 57.50 2yup n GLU 50 Cb 0.64 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.58 2yup n GLU 50 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2yup n ASN 51 N -1.50 1.31 -4.87 -1.84 3.02 -1.26 -5.02 115.26 105.10 2yup n ASN 51 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.25 2yup n ASN 51 Cb 0.01 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.16 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 -2.00 3.50 -0.03 3.10 0.52 -1.16 -1.50 118.94 121.37 2yup s TRP 52 Ca 0.00 1.17 0.01 0.00 0.02 0.00 0.00 56.10 57.30 2yup s TRP 52 Cb 0.00 -2.56 0.02 0.00 -1.15 0.00 0.00 33.47 29.78 2yup s TRP 52 CO 0.00 -0.28 -0.02 0.71 0.02 0.00 0.00 176.95 177.38 2yup s TYR 53 N -2.60 0.47 -0.27 -1.98 2.02 0.18 -2.51 117.35 112.67 2yup s TYR 53 Ca 0.53 -0.08 -0.10 0.00 -0.37 0.00 0.00 57.07 57.05 2yup s TYR 53 Cb -0.10 -0.48 -0.05 0.00 -0.40 0.00 0.00 41.96 40.93 2yup s TYR 53 CO 0.36 -0.14 0.17 -2.00 -1.57 0.00 0.00 175.55 172.37 2yup s GLU 54 N 0.88 3.94 0.00 -0.62 2.12 -1.24 -0.26 118.70 123.52 2yup s GLU 54 Ca -0.10 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 54.90 2yup s GLU 54 Cb -0.13 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.68 2yup s GLU 54 CO -0.01 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.01 2yup n GLY 55 N 4.84 5.24 3.34 -1.50 0.00 -0.46 -2.51 105.19 114.14 2yup n GLY 55 Ca -0.15 -1.37 -0.15 0.00 0.00 0.00 0.00 46.02 44.36 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 1.20 0.82 -0.76 1.61 1.70 -1.07 -2.68 118.95 119.77 2yup s ARG 56 Ca 0.00 -0.06 0.03 0.00 -0.47 0.00 0.00 55.73 55.23 2yup s ARG 56 Cb 0.00 0.37 0.27 0.00 -0.57 0.00 0.00 34.95 35.02 2yup s ARG 56 CO 0.00 -0.24 0.97 -0.89 -1.08 0.00 0.00 175.30 174.05 2yup n ILE 57 N 1.08 3.24 -0.29 4.99 2.08 -0.78 -2.90 119.36 126.78 2yup n ILE 57 Ca -0.20 -5.44 0.01 0.00 0.56 0.00 0.00 62.75 57.68 2yup n ILE 57 Cb 0.57 -2.06 0.06 0.00 -0.75 0.00 0.00 39.64 37.46 2yup n ILE 57 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2yup n THR 58 N 0.91 -0.37 -0.24 1.39 -1.04 -1.26 0.56 114.28 114.22 2yup n THR 58 Ca 0.29 1.79 0.15 0.00 -2.04 0.00 0.00 64.05 64.24 2yup n THR 58 Cb 0.39 -2.41 0.28 0.00 -1.82 0.00 0.00 70.33 66.77 2yup n THR 58 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2yup n GLY 59 N -1.41 -0.84 0.17 3.41 0.00 -1.26 -1.73 105.19 103.52 2yup n GLY 59 Ca 0.10 0.67 -0.23 0.00 0.00 0.00 0.00 46.02 46.55 2yup n GLY 59 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2yup n THR 60 N -4.87 1.41 0.00 2.61 -2.24 0.19 -5.04 114.28 106.34 2yup n THR 60 Ca 0.20 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2yup n THR 60 Cb 0.68 -1.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 2yup n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yup n GLY 61 N 1.76 1.80 3.96 3.38 0.00 0.72 -5.10 105.19 111.72 2yup n GLY 61 Ca -0.48 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 2yup n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yup s ARG 62 N -0.10 2.42 -0.16 1.61 0.52 -1.24 -4.95 118.95 117.04 2yup s ARG 62 Ca 0.00 -1.66 -0.29 0.00 -0.52 0.00 0.00 55.73 53.27 2yup s ARG 62 Cb 0.00 -2.47 0.09 0.00 0.52 0.00 0.00 34.95 33.09 2yup s ARG 62 CO 0.00 -0.57 0.79 -1.14 0.02 0.00 0.00 175.30 174.40 2yup s GLN 63 N -4.41 0.85 0.00 3.54 0.74 -1.26 -1.87 119.66 117.24 2yup s GLN 63 Ca 0.51 0.47 0.00 0.00 0.05 0.00 0.00 55.36 56.39 2yup s GLN 63 Cb -0.05 0.40 0.00 0.00 1.10 0.00 0.00 33.01 34.46 2yup s GLN 63 CO 0.31 -0.21 0.00 0.41 -0.55 0.00 0.00 175.29 175.25 2yup n GLY 64 N 1.49 -1.27 3.96 2.59 0.00 -1.09 -4.76 105.19 106.11 2yup n GLY 64 Ca -0.15 -1.00 -0.19 0.00 0.00 0.00 0.00 46.02 44.68 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 -3.00 3.29 -0.04 -0.61 -4.36 0.11 -1.35 121.20 115.24 2yup s ILE 65 Ca 0.00 -1.12 -0.29 0.00 -0.26 0.00 0.00 60.65 58.99 2yup s ILE 65 Cb 0.00 -3.13 0.10 0.00 1.25 0.00 0.00 42.46 40.68 2yup s ILE 65 CO 0.00 -0.07 0.85 0.72 0.24 0.00 0.00 174.94 176.68 2yup s PHE 66 N -2.32 -0.43 0.34 1.37 -0.12 0.64 -1.25 117.98 116.21 2yup s PHE 66 Ca 0.49 0.49 -0.28 0.00 -0.05 0.00 0.00 56.93 57.59 2yup s PHE 66 Cb -0.08 0.50 -0.10 0.00 -0.63 0.00 0.00 43.02 42.71 2yup s PHE 66 CO 0.31 -0.54 1.22 -1.25 -0.05 0.00 0.00 175.22 174.91 2yup s PRO 67 N -2.32 4.34 0.31 1.99 0.04 -1.26 0.50 135.00 138.60 2yup s PRO 67 Ca -0.00 2.01 0.26 0.00 0.04 0.00 0.00 61.00 63.31 2yup s PRO 67 Cb -0.01 -2.99 0.81 0.00 0.04 0.00 0.00 34.50 32.35 2yup s PRO 67 CO -0.03 -0.13 1.75 0.00 0.04 0.00 0.00 177.00 178.63 2yup h ALA 68 N 3.28 1.00 -0.11 8.56 0.00 -1.60 -3.11 119.26 127.27 2yup h ALA 68 Ca -0.48 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2yup h ALA 68 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2yup h ALA 68 CO 0.65 0.00 0.01 0.45 0.00 0.00 0.00 179.25 180.36 2yup n SER 69 N -2.54 2.01 0.00 0.00 2.88 -1.26 -3.36 113.62 111.34 2yup n SER 69 Ca 0.04 -2.18 0.00 0.00 -1.33 0.00 0.00 58.87 55.39 2yup n SER 69 Cb 0.39 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 2yup n SER 69 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2yup n TYR 70 N 0.12 0.00 -4.46 0.66 4.02 -1.18 -4.98 117.16 111.35 2yup n TYR 70 Ca 0.06 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.69 2yup n TYR 70 Cb 0.46 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.68 2yup n TYR 70 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2yup s VAL 71 N -1.61 2.39 -0.24 -0.72 -7.23 -1.21 -1.39 120.40 110.39 2yup s VAL 71 Ca 0.00 -2.10 -0.09 0.00 -1.81 0.00 0.00 61.98 57.99 2yup s VAL 71 Cb 0.00 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 2yup s VAL 71 CO 0.00 -0.19 0.11 -1.58 -0.31 0.00 0.00 175.10 173.13 2yup s GLN 72 N -3.66 3.87 -0.37 4.82 0.74 0.42 -4.85 119.66 120.62 2yup s GLN 72 Ca 0.34 -0.38 -0.20 0.00 0.05 0.00 0.00 55.36 55.17 2yup s GLN 72 Cb 0.02 -3.41 0.00 0.00 1.10 0.00 0.00 33.01 30.72 2yup s GLN 72 CO 0.18 -0.04 0.59 0.08 -0.55 0.00 0.00 175.29 175.55 2yup s VAL 73 N 1.26 4.93 -0.24 1.34 1.01 -1.26 -1.17 120.40 126.27 2yup s VAL 73 Ca 0.06 0.42 0.07 0.00 0.00 0.00 0.00 61.98 62.52 2yup s VAL 73 Cb -0.14 -4.05 -0.20 0.00 0.00 0.00 0.00 36.38 31.99 2yup s VAL 73 CO 0.05 -0.32 -0.12 -1.54 0.00 0.00 0.00 175.10 173.16 2yup n SER 74 N 5.96 1.40 -3.64 3.32 3.41 -0.61 -4.85 113.62 118.62 2yup n SER 74 Ca -0.03 -0.09 -0.29 0.00 -0.26 0.00 0.00 58.87 58.20 2yup n SER 74 Cb 0.49 -0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 64.29 2yup n SER 74 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2yup s ARG 75 N -2.51 0.66 0.44 4.33 3.52 -1.00 -4.95 118.95 119.43 2yup s ARG 75 Ca -0.27 -1.16 -0.23 0.00 -0.13 0.00 0.00 55.73 53.93 2yup s ARG 75 Cb 0.08 -1.73 -0.10 0.00 -1.56 0.00 0.00 34.95 31.63 2yup s ARG 75 CO 0.67 -1.07 0.92 0.39 -0.81 0.00 0.00 175.30 175.40 2yup n GLU 76 N 4.56 1.16 -2.13 5.12 4.71 -1.26 -1.38 120.64 131.42 2yup n GLU 76 Ca 0.02 0.42 -0.43 0.00 -0.01 0.00 0.00 57.16 57.16 2yup n GLU 76 Cb 0.40 -1.95 -0.03 0.00 -1.01 0.00 0.00 31.44 28.85 2yup n GLU 76 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2yup s PRO 77 N -2.00 3.95 0.05 3.49 0.04 -1.26 -4.59 135.00 134.68 2yup s PRO 77 Ca 0.64 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.47 2yup s PRO 77 Cb -0.55 -3.99 -0.04 0.00 0.04 0.00 0.00 34.50 29.96 2yup s PRO 77 CO 0.56 -1.11 0.18 0.50 0.04 0.00 0.00 177.00 177.17 2yup s ARG 78 N 4.37 3.31 0.07 4.56 3.00 -1.26 -4.82 118.95 128.17 2yup s ARG 78 Ca 0.70 -0.48 0.00 0.00 -1.00 0.00 0.00 55.73 54.95 2yup s ARG 78 Cb -0.26 -2.98 0.00 0.00 0.00 0.00 0.00 34.95 31.71 2yup s ARG 78 CO 0.27 0.61 0.00 1.28 0.00 0.00 0.00 175.30 177.46 2yup n LEU 79 N 0.44 0.69 -2.57 -0.88 4.32 -1.26 -4.92 117.00 112.82 2yup n LEU 79 Ca -0.07 0.09 -0.10 0.00 -0.02 0.00 0.00 56.01 55.91 2yup n LEU 79 Cb 0.51 -0.21 0.03 0.00 -1.62 0.00 0.00 43.42 42.14 2yup n LEU 79 CO 0.49 -0.66 0.04 -2.11 -1.22 0.00 0.00 177.39 173.92 2yup n ARG 80 N -3.13 2.27 -1.43 3.23 1.85 -1.26 -4.91 116.66 113.28 2yup n ARG 80 Ca 0.00 -3.73 -0.27 0.00 -1.00 0.00 0.00 57.85 52.86 2yup n ARG 80 Cb 0.00 -1.78 -0.03 0.00 -1.05 0.00 0.00 32.46 29.60 2yup n ARG 80 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2yup n LEU 81 N -0.53 6.61 -4.73 2.89 4.32 -1.26 -4.95 117.00 119.36 2yup n LEU 81 Ca 0.20 -4.03 -0.40 0.00 -0.02 0.00 0.00 56.01 51.76 2yup n LEU 81 Cb 0.83 -1.18 -0.05 0.00 -1.62 0.00 0.00 43.42 41.40 2yup n LEU 81 CO 0.21 1.65 0.41 0.00 -1.22 0.00 0.00 177.39 178.44 2yup s ASP 83 N 0.49 5.76 -0.07 0.00 2.15 -1.26 -4.88 116.67 118.85 2yup s ASP 83 Ca 0.38 1.80 -0.09 0.00 0.43 0.00 0.00 52.55 55.06 2yup s ASP 83 Cb -0.19 -2.52 -0.06 0.00 -0.30 0.00 0.00 42.92 39.86 2yup s ASP 83 CO 0.20 -1.74 0.36 -0.78 -0.17 0.00 0.00 175.17 173.04 2yup h ASP 84 N 13.62 -0.18 -5.62 -0.34 3.58 -1.99 -3.49 116.42 122.00 2yup h ASP 84 Ca -0.39 -0.09 -0.31 0.00 0.42 0.00 0.00 57.03 56.66 2yup h ASP 84 Cb 1.21 0.05 -0.11 0.00 1.72 0.00 0.00 39.33 42.20 2yup h ASP 84 CO 0.98 0.33 -0.35 -0.44 -2.88 0.00 0.00 179.24 176.88 2yup s SER 85 N -5.36 0.92 0.00 2.28 0.01 -1.26 -5.18 113.70 105.11 2yup s SER 85 Ca -0.05 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 55.71 2yup s SER 85 Cb 0.00 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.81 2yup s SER 85 CO 0.17 -1.13 0.00 0.61 0.41 0.00 0.00 173.24 173.30 2yup n GLY 86 N -0.51 1.97 3.74 3.44 0.00 -1.26 -5.17 105.19 107.40 2yup n GLY 86 Ca 0.03 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.43 1.72 -0.22 1.61 0.04 -1.26 -5.05 135.00 130.41 2yup s PRO 87 Ca 0.00 0.98 -0.00 0.00 0.04 0.00 0.00 61.00 62.02 2yup s PRO 87 Cb 0.00 -1.85 0.06 0.00 0.04 0.00 0.00 34.50 32.75 2yup s PRO 87 CO 0.00 -1.96 -0.03 -1.12 0.04 0.00 0.00 177.00 173.93 2yup s SER 88 N -3.41 3.49 0.15 6.66 0.01 -1.26 -5.13 113.70 114.22 2yup s SER 88 Ca 0.62 -1.03 0.08 0.00 1.31 0.00 0.00 55.95 56.94 2yup s SER 88 Cb -0.18 -0.98 -0.04 0.00 0.21 0.00 0.00 66.02 65.03 2yup s SER 88 CO 0.56 -0.25 -0.11 -0.44 0.41 0.00 0.00 173.24 173.41 2yup s SER 89 N 1.55 4.22 0.00 2.44 0.01 -1.26 -5.39 113.70 115.27 2yup s SER 89 Ca -0.04 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.69 2yup s SER 89 Cb -0.18 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.33 2yup s SER 89 CO -0.07 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.32