#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 -0.25 1.01 1.61 1.04 -1.26 -5.16 113.70 110.69 2yup s SER 2 Ca 0.00 0.92 -0.17 0.00 0.48 0.00 0.00 55.95 57.19 2yup s SER 2 Cb 0.00 1.14 0.07 0.00 0.10 0.00 0.00 66.02 67.33 2yup s SER 2 CO 0.00 -0.22 -0.14 -1.54 0.98 0.00 0.00 173.24 172.31 2yup n SER 3 N 5.11 -2.72 0.00 7.02 3.41 -1.26 -4.98 113.62 120.20 2yup n SER 3 Ca -0.12 -0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 2yup n SER 3 Cb 0.51 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 2yup n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yup n GLY 4 N 2.54 0.25 3.57 5.00 0.00 -1.26 -4.83 105.19 110.46 2yup n GLY 4 Ca 0.02 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.53 2yup n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yup n SER 5 N -0.92 1.26 -4.34 1.61 3.41 -1.26 -4.90 113.62 108.49 2yup n SER 5 Ca 0.00 1.13 -0.46 0.00 -0.26 0.00 0.00 58.87 59.28 2yup n SER 5 Cb 0.00 -1.16 -0.04 0.00 -0.26 0.00 0.00 64.21 62.75 2yup n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yup s SER 6 N 0.21 6.44 0.00 4.04 0.01 -1.26 -4.74 113.70 118.39 2yup s SER 6 Ca 0.80 -2.10 0.00 0.00 1.31 0.00 0.00 55.95 55.97 2yup s SER 6 Cb -0.95 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.04 2yup s SER 6 CO 0.50 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.96 2yup n GLY 7 N 4.78 -0.52 2.89 3.44 0.00 -1.26 -5.10 105.19 109.42 2yup n GLY 7 Ca -0.00 0.20 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 2yup n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yup s LYS 8 N 0.00 0.84 0.73 1.61 2.20 -1.26 -5.15 119.74 118.71 2yup s LYS 8 Ca 0.00 -0.10 -0.12 0.00 -0.36 0.00 0.00 55.97 55.38 2yup s LYS 8 Cb 0.00 -0.86 0.03 0.00 -1.51 0.00 0.00 37.83 35.50 2yup s LYS 8 CO 0.00 -0.09 1.10 -1.25 -0.36 0.00 0.00 175.35 174.75 2yup s PRO 9 N 0.95 2.46 0.41 4.03 0.04 -1.26 -4.95 135.00 136.68 2yup s PRO 9 Ca -0.11 1.26 0.20 0.00 0.04 0.00 0.00 61.00 62.40 2yup s PRO 9 Cb -0.14 -1.92 0.87 0.00 0.04 0.00 0.00 34.50 33.35 2yup s PRO 9 CO -0.00 -1.50 1.83 -1.00 0.04 0.00 0.00 177.00 176.37 2yup h PRO 10 N -0.67 0.00 -2.72 0.56 0.13 -2.01 -3.41 132.00 123.87 2yup h PRO 10 Ca -0.45 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.32 2yup h PRO 10 Cb 1.24 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.99 2yup h PRO 10 CO 0.52 0.31 -0.66 0.95 -0.23 0.00 0.00 178.00 178.88 2yup s THR 11 N -3.83 -0.25 -0.35 1.56 -4.23 -1.26 -5.10 115.64 102.17 2yup s THR 11 Ca -0.01 -0.10 -0.36 0.00 -1.18 0.00 0.00 61.69 60.04 2yup s THR 11 Cb 0.12 -0.62 -0.16 0.00 1.34 0.00 0.00 72.50 73.18 2yup s THR 11 CO 0.67 -0.21 1.20 0.00 -0.54 0.00 0.00 174.62 175.74 2yup n TYR 12 N 5.31 1.28 -1.64 3.99 0.18 -1.26 -4.80 117.16 120.21 2yup n TYR 12 Ca -0.06 0.89 -0.38 0.00 1.88 0.00 0.00 57.90 60.23 2yup n TYR 12 Cb 0.49 -1.72 0.05 0.00 -0.38 0.00 0.00 39.34 37.79 2yup n TYR 12 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2yup n GLN 13 N 2.91 0.99 -2.47 -3.48 10.64 -1.26 -4.90 117.38 119.82 2yup n GLN 13 Ca 0.23 0.38 -0.43 0.00 -1.83 0.00 0.00 57.00 55.36 2yup n GLN 13 Cb -0.04 -2.25 -0.02 0.00 -0.86 0.00 0.00 30.24 27.07 2yup n GLN 13 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2yup s VAL 14 N -1.47 4.17 0.12 -0.39 1.01 -1.26 -5.02 120.40 117.57 2yup s VAL 14 Ca 0.76 1.30 -0.06 0.00 0.00 0.00 0.00 61.98 63.98 2yup s VAL 14 Cb -0.41 -4.27 -0.06 0.00 0.00 0.00 0.00 36.38 31.64 2yup s VAL 14 CO 0.46 -0.59 0.38 -0.76 0.00 0.00 0.00 175.10 174.59 2yup s LEU 15 N 4.43 4.29 -0.22 3.92 1.02 -1.26 -4.98 118.68 125.87 2yup s LEU 15 Ca 0.54 0.64 0.00 0.00 0.02 0.00 0.00 54.13 55.33 2yup s LEU 15 Cb -0.14 -3.21 0.22 0.00 0.02 0.00 0.00 46.19 43.09 2yup s LEU 15 CO 0.24 0.09 1.66 -1.84 0.02 0.00 0.00 176.35 176.53 2yup n GLU 16 N 0.32 1.57 -4.34 1.70 0.28 -1.26 -4.87 120.64 114.05 2yup n GLU 16 Ca -0.04 -1.24 -0.18 0.00 -0.16 0.00 0.00 57.16 55.54 2yup n GLU 16 Cb 0.52 -1.49 -0.10 0.00 1.43 0.00 0.00 31.44 31.80 2yup n GLU 16 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2yup s TYR 17 N -1.40 1.69 0.66 -1.84 1.51 -1.26 -4.65 117.35 112.05 2yup s TYR 17 Ca 0.24 -0.59 -0.09 0.00 -1.01 0.00 0.00 57.07 55.62 2yup s TYR 17 Cb 0.20 -0.79 0.02 0.00 -0.11 0.00 0.00 41.96 41.27 2yup s TYR 17 CO 0.02 0.34 1.01 0.20 -1.11 0.00 0.00 175.55 176.01 2yup s GLY 18 N -3.31 1.62 0.03 0.71 0.00 -1.05 -4.86 107.32 100.46 2yup s GLY 18 Ca 0.22 -0.53 0.08 0.00 0.00 0.00 0.00 44.72 44.50 2yup s GLY 18 CO 0.07 -0.19 -0.23 1.85 0.00 0.00 0.00 173.10 174.59 2yup s GLU 19 N -5.20 1.96 0.05 2.90 2.12 0.15 -2.82 118.70 117.84 2yup s GLU 19 Ca 0.56 -1.03 -0.21 0.00 0.36 0.00 0.00 54.97 54.66 2yup s GLU 19 Cb -0.11 -2.07 0.05 0.00 0.26 0.00 0.00 34.13 32.26 2yup s GLU 19 CO 0.49 0.53 0.48 0.00 -0.54 0.00 0.00 175.26 176.22 2yup s ALA 20 N -0.81 -1.22 -0.05 6.30 0.00 -1.22 -2.45 121.76 122.30 2yup s ALA 20 Ca 0.12 0.50 -0.00 0.00 0.00 0.00 0.00 51.96 52.58 2yup s ALA 20 Cb -0.10 0.37 0.03 0.00 0.00 0.00 0.00 23.12 23.42 2yup s ALA 20 CO 0.03 -0.49 -0.02 0.08 0.00 0.00 0.00 175.76 175.36 2yup s VAL 21 N -2.46 0.40 -0.01 0.00 1.01 -0.38 -2.81 120.40 116.14 2yup s VAL 21 Ca -0.05 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 2yup s VAL 21 Cb -0.01 -0.50 -0.08 0.00 0.00 0.00 0.00 36.38 35.80 2yup s VAL 21 CO -0.02 0.22 1.91 0.00 0.00 0.00 0.00 175.10 177.22 2yup s ALA 22 N 1.37 3.50 -0.19 5.51 0.00 -1.01 0.28 121.76 131.22 2yup s ALA 22 Ca -0.04 1.16 -0.05 0.00 0.00 0.00 0.00 51.96 53.03 2yup s ALA 22 Cb -0.13 -3.85 -0.21 0.00 0.00 0.00 0.00 23.12 18.93 2yup s ALA 22 CO -0.02 -1.66 0.09 1.04 0.00 0.00 0.00 175.76 175.20 2yup n GLN 23 N 7.57 0.69 -4.98 0.00 1.13 -1.00 -0.18 117.38 120.61 2yup n GLN 23 Ca 0.20 0.25 -0.29 0.00 -1.94 0.00 0.00 57.00 55.22 2yup n GLN 23 Cb 0.42 -1.63 -0.17 0.00 0.11 0.00 0.00 30.24 28.98 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 -2.52 2.05 0.02 1.08 1.51 -0.85 -4.81 117.35 113.83 2yup s TYR 24 Ca -0.29 -0.72 -0.30 0.00 -1.01 0.00 0.00 57.07 54.76 2yup s TYR 24 Cb 0.08 -1.39 -0.08 0.00 -0.11 0.00 0.00 41.96 40.46 2yup s TYR 24 CO 0.67 -0.28 1.86 0.99 -1.11 0.00 0.00 175.55 177.69 2yup s THR 25 N 0.23 3.12 0.16 -0.71 2.01 -1.26 -4.70 115.64 114.48 2yup s THR 25 Ca -0.11 0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.15 2yup s THR 25 Cb -0.15 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 2yup s THR 25 CO 0.05 -0.02 0.18 0.12 -0.69 0.00 0.00 174.62 174.26 2yup s PHE 26 N 4.12 3.25 -0.15 4.92 5.36 -1.08 -5.01 117.98 129.38 2yup s PHE 26 Ca 0.83 0.03 -0.01 0.00 -0.96 0.00 0.00 56.93 56.82 2yup s PHE 26 Cb -0.40 -1.56 0.04 0.00 -0.34 0.00 0.00 43.02 40.75 2yup s PHE 26 CO 0.38 0.52 -0.04 0.21 -1.46 0.00 0.00 175.22 174.83 2yup s LYS 27 N -3.11 1.24 -0.10 10.12 2.20 -1.26 -3.71 119.74 125.12 2yup s LYS 27 Ca 0.32 -0.41 -0.10 0.00 -0.36 0.00 0.00 55.97 55.41 2yup s LYS 27 Cb -0.10 -1.87 0.03 0.00 -1.51 0.00 0.00 37.83 34.38 2yup s LYS 27 CO 0.25 -0.43 0.29 0.20 -0.36 0.00 0.00 175.35 175.30 2yup s GLY 28 N 1.71 -0.21 -0.19 5.54 0.00 -1.26 -4.98 107.32 107.93 2yup s GLY 28 Ca 0.01 0.77 -0.02 0.00 0.00 0.00 0.00 44.72 45.48 2yup s GLY 28 CO -0.07 0.65 -0.19 1.22 0.00 0.00 0.00 173.10 174.71 2yup n ASP 29 N 2.79 2.16 -4.52 1.64 8.00 -1.25 -4.31 116.55 121.06 2yup n ASP 29 Ca -0.14 0.02 -0.40 0.00 0.71 0.00 0.00 54.79 54.99 2yup n ASP 29 Cb 0.58 -0.39 0.03 0.00 -0.02 0.00 0.00 41.12 41.32 2yup n ASP 29 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2yup n LEU 30 N -3.33 1.53 -0.16 0.64 4.77 -1.26 -4.85 117.00 114.35 2yup n LEU 30 Ca -0.34 0.86 -0.05 0.00 -0.03 0.00 0.00 56.01 56.45 2yup n LEU 30 Cb 0.82 -1.24 0.01 0.00 -2.33 0.00 0.00 43.42 40.68 2yup n LEU 30 CO 0.13 -2.43 0.67 -0.33 -1.33 0.00 0.00 177.39 174.11 2yup h GLU 31 N 0.73 -0.15 -0.59 3.23 4.39 -1.96 -0.83 114.58 119.40 2yup h GLU 31 Ca -0.45 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.25 2yup h GLU 31 Cb 1.38 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 30.03 2yup h GLU 31 CO 0.51 -0.10 0.33 -0.39 -1.16 0.00 0.00 179.01 178.20 2yup h VAL 32 N -0.15 1.19 -1.18 3.13 -1.51 -1.89 -3.38 116.25 112.46 2yup h VAL 32 Ca 0.22 -0.48 -0.40 0.00 -1.23 0.00 0.00 66.70 64.81 2yup h VAL 32 Cb 0.50 0.43 -0.05 0.00 -2.13 0.00 0.00 31.29 30.04 2yup h VAL 32 CO -0.58 0.21 1.01 -1.61 -1.23 0.00 0.00 177.57 175.37 2yup s GLU 33 N -5.86 2.76 -0.01 5.19 0.41 -0.32 -0.54 118.70 120.34 2yup s GLU 33 Ca -0.13 -0.20 -0.21 0.00 -0.41 0.00 0.00 54.97 54.02 2yup s GLU 33 Cb 0.13 -4.89 -0.05 0.00 -1.78 0.00 0.00 34.13 27.53 2yup s GLU 33 CO 0.77 -2.98 0.62 -1.17 -0.49 0.00 0.00 175.26 172.01 2yup s LEU 34 N 8.83 4.41 0.13 1.80 2.96 -1.03 -3.88 118.68 131.90 2yup s LEU 34 Ca 0.64 1.18 0.00 0.00 -0.22 0.00 0.00 54.13 55.73 2yup s LEU 34 Cb -0.07 -2.96 -0.04 0.00 0.50 0.00 0.00 46.19 43.62 2yup s LEU 34 CO 0.04 0.08 0.29 -0.94 -1.32 0.00 0.00 176.35 174.50 2yup s SER 35 N -0.09 6.37 -0.01 3.68 1.04 -1.26 -4.68 113.70 118.75 2yup s SER 35 Ca 0.32 0.28 -0.29 0.00 0.48 0.00 0.00 55.95 56.74 2yup s SER 35 Cb -0.18 -1.96 0.07 0.00 0.10 0.00 0.00 66.02 64.05 2yup s SER 35 CO 0.18 0.07 0.67 0.72 0.98 0.00 0.00 173.24 175.85 2yup s PHE 36 N -1.69 -0.64 0.08 5.02 -0.12 -1.24 -4.95 117.98 114.44 2yup s PHE 36 Ca 0.36 0.98 -0.06 0.00 -0.05 0.00 0.00 56.93 58.15 2yup s PHE 36 Cb -0.12 0.44 -0.05 0.00 -0.63 0.00 0.00 43.02 42.66 2yup s PHE 36 CO 0.28 -0.65 0.35 1.03 -0.05 0.00 0.00 175.22 176.18 2yup s ARG 37 N -1.67 3.64 0.21 1.99 1.81 -1.26 -2.63 118.95 121.05 2yup s ARG 37 Ca -0.09 -0.02 -0.32 0.00 -1.72 0.00 0.00 55.73 53.58 2yup s ARG 37 Cb -0.00 -2.96 -0.13 0.00 -0.45 0.00 0.00 34.95 31.41 2yup s ARG 37 CO 0.06 0.55 1.54 1.17 -0.68 0.00 0.00 175.30 177.94 2yup n LYS 38 N 0.61 2.28 0.00 3.54 4.81 -1.26 -2.10 118.16 126.04 2yup n LYS 38 Ca -0.06 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 2yup n LYS 38 Cb 0.52 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 33.01 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 2.87 3.06 3.45 3.14 0.00 0.74 -4.97 105.19 113.48 2yup n GLY 39 Ca 0.14 -0.86 -0.37 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 0.33 -3.54 1.61 -0.58 -0.89 -4.57 120.64 113.00 2yup n GLU 40 Ca 0.00 0.15 -0.42 0.00 -0.42 0.00 0.00 57.16 56.47 2yup n GLU 40 Cb 0.00 -1.75 -0.11 0.00 -0.57 0.00 0.00 31.44 29.01 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 -1.87 3.24 -0.28 -0.32 3.76 -1.26 -2.41 115.29 116.14 2yup s HIS 41 Ca 0.65 -0.82 -0.15 0.00 -0.15 0.00 0.00 55.06 54.59 2yup s HIS 41 Cb -0.37 -2.51 -0.03 0.00 1.11 0.00 0.00 32.58 30.78 2yup s HIS 41 CO 0.58 -0.63 0.38 0.42 -0.85 0.00 0.00 174.74 174.64 2yup s ILE 42 N 1.60 5.17 -0.17 0.60 1.01 -1.12 -4.52 121.20 123.76 2yup s ILE 42 Ca 0.03 0.48 -0.29 0.00 0.00 0.00 0.00 60.65 60.87 2yup s ILE 42 Cb -0.19 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 2yup s ILE 42 CO 0.08 0.10 1.21 0.00 0.00 0.00 0.00 174.94 176.33 2yup s LEU 44 N 3.36 3.75 -0.17 0.00 1.43 -1.13 -2.68 118.68 123.25 2yup s LEU 44 Ca 0.52 0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 53.91 2yup s LEU 44 Cb -0.20 -3.46 -0.10 0.00 0.03 0.00 0.00 46.19 42.46 2yup s LEU 44 CO 0.13 -1.17 0.03 0.40 0.23 0.00 0.00 176.35 175.97 2yup h ILE 45 N 6.15 0.44 -2.97 -0.59 2.04 -1.82 -2.79 117.51 117.97 2yup h ILE 45 Ca -0.23 -1.53 -0.48 0.00 1.00 0.00 0.00 64.86 63.62 2yup h ILE 45 Cb 1.06 1.03 -0.41 0.00 -0.74 0.00 0.00 36.82 37.77 2yup h ILE 45 CO 1.09 0.15 -0.76 -0.13 0.00 0.00 0.00 178.15 178.50 2yup s ARG 46 N -2.24 0.12 -0.56 2.37 0.52 -1.21 -4.92 118.95 113.03 2yup s ARG 46 Ca -0.20 -0.24 -0.26 0.00 -0.52 0.00 0.00 55.73 54.51 2yup s ARG 46 Cb 0.03 -1.61 -0.09 0.00 0.52 0.00 0.00 34.95 33.81 2yup s ARG 46 CO 0.37 -0.79 2.41 0.21 0.02 0.00 0.00 175.30 177.53 2yup s LYS 47 N 2.12 1.97 0.06 3.54 2.20 -1.26 -3.45 119.74 124.92 2yup s LYS 47 Ca 0.04 1.19 -0.15 0.00 -0.36 0.00 0.00 55.97 56.69 2yup s LYS 47 Cb -0.16 -4.63 -0.05 0.00 -1.51 0.00 0.00 37.83 31.48 2yup s LYS 47 CO -0.18 -3.56 1.25 0.28 -0.36 0.00 0.00 175.35 172.78 2yup h VAL 48 N 7.70 0.00 -3.77 4.02 2.07 -1.83 -3.46 116.25 120.97 2yup h VAL 48 Ca -0.18 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.16 2yup h VAL 48 Cb 1.21 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 2yup h VAL 48 CO 1.12 0.00 -0.06 0.20 0.02 0.00 0.00 177.57 178.86 2yup s ASN 49 N -3.78 0.55 0.58 0.57 0.01 0.83 -4.96 114.94 108.74 2yup s ASN 49 Ca -0.07 -1.32 0.28 0.00 -0.71 0.00 0.00 52.86 51.04 2yup s ASN 49 Cb 0.04 0.70 1.63 0.00 0.41 0.00 0.00 41.25 44.03 2yup s ASN 49 CO 0.28 -1.38 2.11 1.05 -1.51 0.00 0.00 177.10 177.65 2yup h GLU 50 N 2.10 0.00 0.00 -0.60 4.11 -2.04 -3.19 114.58 114.96 2yup h GLU 50 Ca -0.29 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 58.89 2yup h GLU 50 Cb 1.24 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.46 2yup h GLU 50 CO 0.39 0.00 -1.77 0.09 0.07 0.00 0.00 179.01 177.79 2yup n ASN 51 N -3.89 1.47 -4.85 3.06 3.02 -1.26 -4.88 115.26 107.92 2yup n ASN 51 Ca 0.01 0.25 -0.32 0.00 -0.03 0.00 0.00 54.58 54.50 2yup n ASN 51 Cb 0.31 -0.59 -0.04 0.00 -0.61 0.00 0.00 39.78 38.84 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 -2.43 3.43 0.20 3.10 0.52 -1.20 -0.13 118.94 122.42 2yup s TRP 52 Ca -0.26 1.30 -0.03 0.00 0.02 0.00 0.00 56.10 57.13 2yup s TRP 52 Cb 0.09 -2.64 -0.03 0.00 -1.15 0.00 0.00 33.47 29.74 2yup s TRP 52 CO 0.34 -0.17 0.19 0.71 0.02 0.00 0.00 176.95 178.04 2yup s TYR 53 N -2.37 0.97 -0.14 -1.98 1.51 -0.27 -0.12 117.35 114.93 2yup s TYR 53 Ca 0.56 -1.23 -0.04 0.00 -1.01 0.00 0.00 57.07 55.35 2yup s TYR 53 Cb -0.10 -0.40 0.06 0.00 -0.11 0.00 0.00 41.96 41.41 2yup s TYR 53 CO 0.27 -0.70 0.11 -2.00 -1.11 0.00 0.00 175.55 172.12 2yup s GLU 54 N -4.12 0.05 0.00 -0.62 2.12 -1.22 -1.21 118.70 113.69 2yup s GLU 54 Ca 0.34 0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.78 2yup s GLU 54 Cb 0.05 -1.35 0.00 0.00 0.26 0.00 0.00 34.13 33.09 2yup s GLU 54 CO 0.10 -0.57 0.00 0.41 -0.54 0.00 0.00 175.26 174.66 2yup n GLY 55 N 5.29 5.14 3.64 -1.50 0.00 -0.39 -2.48 105.19 114.90 2yup n GLY 55 Ca -0.06 -1.74 -0.05 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.45 0.64 -1.02 1.61 1.04 -1.09 -2.27 118.95 117.41 2yup s ARG 56 Ca 0.00 1.24 -0.24 0.00 -1.04 0.00 0.00 55.73 55.69 2yup s ARG 56 Cb 0.00 0.34 -0.09 0.00 -2.04 0.00 0.00 34.95 33.16 2yup s ARG 56 CO 0.00 -0.16 2.01 0.42 -0.04 0.00 0.00 175.30 177.53 2yup s ILE 57 N 1.98 3.40 -0.80 4.99 -1.09 -0.85 -3.42 121.20 125.41 2yup s ILE 57 Ca -0.09 -0.51 -0.36 0.00 -2.23 0.00 0.00 60.65 57.47 2yup s ILE 57 Cb -0.07 -4.12 -0.20 0.00 -1.58 0.00 0.00 42.46 36.49 2yup s ILE 57 CO -0.19 -0.77 2.49 1.07 -1.23 0.00 0.00 174.94 176.30 2yup n THR 58 N 8.07 0.00 0.00 2.92 5.66 -1.26 -0.26 114.28 129.41 2yup n THR 58 Ca 0.43 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 61.40 2yup n THR 58 Cb 0.46 -0.58 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 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 6.84 3.84 3.61 1.09 0.00 -1.26 -5.10 105.19 114.21 2yup n GLY 59 Ca 0.61 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 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 3.82 0.60 2.61 -4.23 0.64 -4.98 115.64 114.10 2yup s THR 60 Ca 0.00 -0.52 0.29 0.00 -1.18 0.00 0.00 61.69 60.27 2yup s THR 60 Cb 0.00 -2.60 0.41 0.00 1.34 0.00 0.00 72.50 71.65 2yup s THR 60 CO 0.00 0.53 1.46 1.23 -0.54 0.00 0.00 174.62 177.30 2yup h GLY 61 N 4.99 0.00 -6.29 3.99 0.00 -1.99 -3.40 103.07 100.37 2yup h GLY 61 Ca -0.49 0.00 -0.79 0.00 0.00 0.00 0.00 47.33 46.05 2yup h GLY 61 CO 0.53 0.00 0.49 0.54 0.00 0.00 0.00 176.54 178.10 2yup n ARG 62 N -3.39 0.41 -3.43 4.80 3.00 -1.26 -4.91 116.66 111.87 2yup n ARG 62 Ca 0.21 0.15 0.01 0.00 -0.01 0.00 0.00 57.85 58.21 2yup n ARG 62 Cb 1.37 -1.71 -0.04 0.00 0.00 0.00 0.00 32.46 32.08 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 1.71 0.29 0.00 5.56 0.74 -1.26 -2.01 119.66 124.69 2yup s GLN 63 Ca 0.96 0.67 0.00 0.00 0.05 0.00 0.00 55.36 57.04 2yup s GLN 63 Cb -1.25 0.35 0.00 0.00 1.10 0.00 0.00 33.01 33.21 2yup s GLN 63 CO 0.65 -0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.71 2yup n GLY 64 N 4.70 0.94 3.74 2.59 0.00 -0.96 -4.88 105.19 111.31 2yup n GLY 64 Ca -0.11 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.22 3.84 0.01 -0.61 -4.36 0.30 -1.26 121.20 117.90 2yup s ILE 65 Ca 0.00 -1.65 -0.28 0.00 -0.26 0.00 0.00 60.65 58.46 2yup s ILE 65 Cb 0.00 -3.11 0.09 0.00 1.25 0.00 0.00 42.46 40.69 2yup s ILE 65 CO 0.00 -0.34 0.78 0.72 0.24 0.00 0.00 174.94 176.35 2yup s PHE 66 N -2.25 -0.46 0.08 1.37 -0.12 -0.35 -2.46 117.98 113.78 2yup s PHE 66 Ca 0.33 0.47 -0.31 0.00 -0.05 0.00 0.00 56.93 57.38 2yup s PHE 66 Cb -0.07 0.51 -0.07 0.00 -0.63 0.00 0.00 43.02 42.76 2yup s PHE 66 CO 0.23 -0.61 1.39 -1.25 -0.05 0.00 0.00 175.22 174.92 2yup s PRO 67 N -2.65 4.31 0.11 1.99 0.04 -1.26 -1.12 135.00 136.42 2yup s PRO 67 Ca -0.00 2.03 -0.27 0.00 0.04 0.00 0.00 61.00 62.81 2yup s PRO 67 Cb -0.01 -3.36 -0.09 0.00 0.04 0.00 0.00 34.50 31.08 2yup s PRO 67 CO -0.05 -0.47 1.65 0.00 0.04 0.00 0.00 177.00 178.16 2yup h ALA 68 N 7.15 -0.40 -1.18 8.56 0.00 -0.85 -2.01 119.26 130.54 2yup h ALA 68 Ca -0.41 -0.04 0.42 0.00 0.00 0.00 0.00 54.91 54.88 2yup h ALA 68 Cb 1.20 0.36 -0.13 0.00 0.00 0.00 0.00 17.79 19.22 2yup h ALA 68 CO 0.87 -0.77 0.74 0.43 0.00 0.00 0.00 179.25 180.53 2yup n SER 69 N -5.35 0.21 -0.10 0.00 7.64 -1.26 0.23 113.62 114.99 2yup n SER 69 Ca -0.07 1.28 -0.13 0.00 1.01 0.00 0.00 58.87 60.96 2yup n SER 69 Cb 0.26 -0.63 -0.04 0.00 -1.01 0.00 0.00 64.21 62.80 2yup n SER 69 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 2yup h TYR 70 N 0.00 0.85 -1.71 1.43 -1.99 -1.74 -3.46 116.97 110.35 2yup h TYR 70 Ca 0.78 -0.25 -0.44 0.00 2.00 0.00 0.00 58.73 60.83 2yup h TYR 70 Cb 2.45 -0.18 0.03 0.00 2.00 0.00 0.00 36.73 41.04 2yup h TYR 70 CO -0.01 0.99 -0.15 0.14 -0.00 0.00 0.00 178.16 179.14 2yup s VAL 71 N -4.39 2.73 -0.19 -2.88 -7.23 0.63 -2.00 120.40 107.08 2yup s VAL 71 Ca -0.12 -0.88 -0.04 0.00 -1.81 0.00 0.00 61.98 59.14 2yup s VAL 71 Cb 0.09 -2.85 -0.02 0.00 0.56 0.00 0.00 36.38 34.16 2yup s VAL 71 CO 0.83 0.00 -0.04 -1.58 -0.31 0.00 0.00 175.10 173.99 2yup s GLN 72 N -4.56 3.49 -0.30 4.82 0.74 0.14 -4.77 119.66 119.22 2yup s GLN 72 Ca 0.57 -0.59 -0.20 0.00 0.05 0.00 0.00 55.36 55.20 2yup s GLN 72 Cb -0.09 -2.95 -0.01 0.00 1.10 0.00 0.00 33.01 31.06 2yup s GLN 72 CO 0.36 -0.00 0.60 0.08 -0.55 0.00 0.00 175.29 175.78 2yup s VAL 73 N 0.98 4.97 -0.13 1.34 1.01 -1.26 -1.25 120.40 126.06 2yup s VAL 73 Ca 0.00 0.82 -0.02 0.00 0.00 0.00 0.00 61.98 62.78 2yup s VAL 73 Cb -0.15 -3.97 -0.07 0.00 0.00 0.00 0.00 36.38 32.20 2yup s VAL 73 CO 0.01 -0.11 -0.14 -0.24 0.00 0.00 0.00 175.10 174.62 2yup n SER 74 N 5.81 2.10 -3.72 3.32 2.88 -1.03 -4.94 113.62 118.04 2yup n SER 74 Ca -0.02 0.04 -0.30 0.00 -1.33 0.00 0.00 58.87 57.26 2yup n SER 74 Cb 0.49 -0.28 -0.15 0.00 -0.75 0.00 0.00 64.21 63.52 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 -2.24 0.73 0.49 -1.46 6.06 -1.03 -4.94 118.95 116.56 2yup s ARG 75 Ca -0.17 -1.13 -0.24 0.00 -2.50 0.00 0.00 55.73 51.69 2yup s ARG 75 Cb 0.06 -1.96 -0.07 0.00 0.06 0.00 0.00 34.95 33.03 2yup s ARG 75 CO 0.26 -1.01 1.41 0.39 -2.50 0.00 0.00 175.30 173.86 2yup n GLU 76 N 4.75 2.05 -2.27 5.12 4.71 -1.26 0.30 120.64 134.04 2yup n GLU 76 Ca -0.01 0.74 -0.35 0.00 -0.01 0.00 0.00 57.16 57.53 2yup n GLU 76 Cb 0.41 -2.62 0.00 0.00 -1.01 0.00 0.00 31.44 28.22 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 -2.63 3.39 -0.25 3.49 0.04 -1.26 -4.61 135.00 133.18 2yup s PRO 77 Ca 0.65 1.62 0.02 0.00 0.04 0.00 0.00 61.00 63.33 2yup s PRO 77 Cb -0.43 -2.04 0.06 0.00 0.04 0.00 0.00 34.50 32.13 2yup s PRO 77 CO 0.54 -0.82 -0.08 0.50 0.04 0.00 0.00 177.00 177.19 2yup s ARG 78 N -3.24 1.87 -0.64 4.56 3.00 -1.26 -4.96 118.95 118.28 2yup s ARG 78 Ca 0.72 -1.14 0.06 0.00 -1.00 0.00 0.00 55.73 54.37 2yup s ARG 78 Cb -0.24 -2.71 0.24 0.00 0.00 0.00 0.00 34.95 32.24 2yup s ARG 78 CO 0.27 -0.59 0.72 1.28 0.00 0.00 0.00 175.30 176.98 2yup n LEU 79 N 4.57 3.58 -3.86 -0.88 4.32 -1.26 -4.90 117.00 118.56 2yup n LEU 79 Ca -0.13 -5.40 -0.26 0.00 -0.02 0.00 0.00 56.01 50.21 2yup n LEU 79 Cb 0.43 -0.63 -0.05 0.00 -1.62 0.00 0.00 43.42 41.55 2yup n LEU 79 CO 0.19 2.03 -0.28 0.54 -1.22 0.00 0.00 177.39 178.65 2yup n ARG 80 N 0.98 -0.81 -0.04 3.23 1.74 -1.26 -4.80 116.66 115.70 2yup n ARG 80 Ca 0.29 0.01 -0.10 0.00 -0.77 0.00 0.00 57.85 57.28 2yup n ARG 80 Cb 0.41 -2.27 -0.03 0.00 -1.02 0.00 0.00 32.46 29.55 2yup n ARG 80 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2yup n LEU 81 N -3.69 1.06 -4.66 0.55 4.77 -1.26 -5.04 117.00 108.73 2yup n LEU 81 Ca -0.19 0.17 -0.32 0.00 -0.03 0.00 0.00 56.01 55.64 2yup n LEU 81 Cb 0.48 -0.41 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 2yup n LEU 81 CO 0.59 -0.01 -0.34 0.00 -1.33 0.00 0.00 177.39 176.30 2yup s ASP 83 N -1.76 5.56 0.10 0.00 1.47 -1.26 -5.03 116.67 115.75 2yup s ASP 83 Ca 0.21 -0.49 0.09 0.00 1.18 0.00 0.00 52.55 53.54 2yup s ASP 83 Cb -0.11 -0.54 -0.03 0.00 -0.34 0.00 0.00 42.92 41.89 2yup s ASP 83 CO 0.12 -0.83 -0.24 -1.81 0.68 0.00 0.00 175.17 173.10 2yup s ASP 84 N -4.38 2.90 -0.29 2.11 1.11 -1.26 -5.12 116.67 111.74 2yup s ASP 84 Ca 0.55 -0.68 -0.02 0.00 0.18 0.00 0.00 52.55 52.59 2yup s ASP 84 Cb -0.09 -0.20 0.04 0.00 1.07 0.00 0.00 42.92 43.75 2yup s ASP 84 CO 0.33 0.14 -0.01 -0.44 1.18 0.00 0.00 175.17 176.38 2yup s SER 85 N -1.79 4.81 -0.05 0.27 0.01 -1.26 -5.01 113.70 110.68 2yup s SER 85 Ca 0.10 -1.17 -0.01 0.00 1.31 0.00 0.00 55.95 56.18 2yup s SER 85 Cb -0.10 -1.72 -0.01 0.00 0.21 0.00 0.00 66.02 64.41 2yup s SER 85 CO 0.04 -0.23 0.06 1.23 0.41 0.00 0.00 173.24 174.75 2yup h GLY 86 N 8.02 -0.04 -5.99 3.44 0.00 -2.06 -3.44 103.07 103.00 2yup h GLY 86 Ca -0.24 0.01 -0.56 0.00 0.00 0.00 0.00 47.33 46.54 2yup h GLY 86 CO 0.55 -0.01 1.12 2.56 0.00 0.00 0.00 176.54 180.75 2yup s PRO 87 N -1.45 3.83 -0.16 4.80 0.04 -1.26 -4.97 135.00 135.82 2yup s PRO 87 Ca -0.01 1.68 -0.27 0.00 0.04 0.00 0.00 61.00 62.44 2yup s PRO 87 Cb 0.00 -4.02 0.07 0.00 0.04 0.00 0.00 34.50 30.58 2yup s PRO 87 CO 0.02 -1.26 0.69 -1.12 0.04 0.00 0.00 177.00 175.37 2yup s SER 88 N 4.12 -0.69 -0.46 6.66 0.01 -1.26 -5.12 113.70 116.96 2yup s SER 88 Ca 0.71 1.07 -0.29 0.00 1.31 0.00 0.00 55.95 58.75 2yup s SER 88 Cb -0.25 1.00 0.02 0.00 0.21 0.00 0.00 66.02 67.00 2yup s SER 88 CO 0.29 -0.42 1.29 -0.94 0.41 0.00 0.00 173.24 173.86 2yup s SER 89 N -0.39 6.45 0.00 2.44 1.04 -1.26 -5.27 113.70 116.72 2yup s SER 89 Ca -0.05 0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.99 2yup s SER 89 Cb -0.03 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2yup s SER 89 CO 0.05 -1.38 0.00 0.61 0.98 0.00 0.00 173.24 173.50