#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yup n SER 2 N 0.00 1.81 -4.02 1.61 2.88 -1.26 -5.00 113.62 109.64 2yup n SER 2 Ca 0.00 0.31 -0.30 0.00 -1.33 0.00 0.00 58.87 57.55 2yup n SER 2 Cb 0.00 -0.75 -0.00 0.00 -0.75 0.00 0.00 64.21 62.71 2yup n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yup n SER 3 N -4.17 -2.85 -2.99 -3.46 7.64 -1.26 -4.91 113.62 101.62 2yup n SER 3 Ca -0.47 -0.92 -0.00 0.00 1.01 0.00 0.00 58.87 58.48 2yup n SER 3 Cb 0.83 -3.30 0.00 0.00 -1.01 0.00 0.00 64.21 60.73 2yup n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yup s GLY 4 N -3.66 -1.37 0.23 0.23 0.00 -1.26 -5.16 107.32 96.33 2yup s GLY 4 Ca 0.47 0.32 -0.22 0.00 0.00 0.00 0.00 44.72 45.29 2yup s GLY 4 CO 0.88 3.84 0.74 -0.56 0.00 0.00 0.00 173.10 178.00 2yup s SER 5 N 1.60 -0.30 -0.07 1.64 0.01 -1.26 -5.11 113.70 110.21 2yup s SER 5 Ca 0.19 -0.47 -0.07 0.00 1.31 0.00 0.00 55.95 56.92 2yup s SER 5 Cb -0.00 0.66 -0.02 0.00 0.21 0.00 0.00 66.02 66.87 2yup s SER 5 CO -0.08 -1.20 -0.13 -1.20 0.41 0.00 0.00 173.24 171.03 2yup n SER 6 N -0.44 0.83 0.00 2.44 7.64 -1.26 -4.99 113.62 117.84 2yup n SER 6 Ca -0.06 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2yup n SER 6 Cb 0.60 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 2yup n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yup n GLY 7 N 1.54 1.91 3.55 0.23 0.00 -1.26 -4.55 105.19 106.61 2yup n GLY 7 Ca -0.05 0.41 -0.28 0.00 0.00 0.00 0.00 46.02 46.10 2yup n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yup s LYS 8 N 0.00 1.99 0.52 1.61 -0.14 -1.26 -5.12 119.74 117.34 2yup s LYS 8 Ca 0.00 -1.22 -0.21 0.00 -1.36 0.00 0.00 55.97 53.19 2yup s LYS 8 Cb 0.00 -2.16 -0.06 0.00 -1.68 0.00 0.00 37.83 33.92 2yup s LYS 8 CO 0.00 0.46 1.14 -1.25 -0.76 0.00 0.00 175.35 174.94 2yup s PRO 9 N -2.56 3.48 -0.14 -1.68 0.04 -1.26 -4.96 135.00 127.92 2yup s PRO 9 Ca 0.23 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.63 2yup s PRO 9 Cb -0.10 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 2yup s PRO 9 CO 0.14 -0.75 1.55 -1.25 0.04 0.00 0.00 177.00 176.72 2yup s PRO 10 N -3.10 4.05 0.03 0.56 0.04 -1.26 -4.80 135.00 130.53 2yup s PRO 10 Ca 0.70 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.62 2yup s PRO 10 Cb -0.25 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.33 2yup s PRO 10 CO 0.29 -0.98 0.00 -2.37 0.04 0.00 0.00 177.00 173.99 2yup n THR 11 N 5.79 0.05 -3.65 1.26 5.66 -1.26 -5.09 114.28 117.04 2yup n THR 11 Ca 0.17 0.02 -0.10 0.00 -3.05 0.00 0.00 64.05 61.09 2yup n THR 11 Cb 0.44 -0.84 -0.10 0.00 -1.55 0.00 0.00 70.33 68.28 2yup n THR 11 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2yup s TYR 12 N -2.00 -0.72 -0.57 1.09 1.13 -1.26 -5.04 117.35 109.98 2yup s TYR 12 Ca 0.00 1.38 -0.05 0.00 -1.41 0.00 0.00 57.07 56.99 2yup s TYR 12 Cb 0.00 0.22 -0.05 0.00 -1.10 0.00 0.00 41.96 41.03 2yup s TYR 12 CO 0.00 -0.46 2.99 1.04 -2.51 0.00 0.00 175.55 176.61 2yup n GLN 13 N 5.38 2.76 -3.53 -3.49 6.02 -1.26 -4.75 117.38 118.51 2yup n GLN 13 Ca -0.08 -2.10 -0.28 0.00 -0.01 0.00 0.00 57.00 54.53 2yup n GLN 13 Cb 0.49 -2.24 -0.05 0.00 1.02 0.00 0.00 30.24 29.46 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 1.77 0.00 1.23 5.09 0.24 -1.26 -4.67 118.33 120.74 2yup n VAL 14 Ca 0.52 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.90 2yup n VAL 14 Cb 0.58 -0.33 0.48 0.00 -1.47 0.00 0.00 33.84 33.11 2yup n VAL 14 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2yup n LEU 15 N -2.90 0.00 0.03 1.34 -0.00 -1.26 -2.99 117.00 111.21 2yup n LEU 15 Ca 0.08 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.90 2yup n LEU 15 Cb 0.31 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.59 2yup n LEU 15 CO 0.64 0.00 0.13 -0.33 -0.00 0.00 0.00 177.39 177.83 2yup h GLU 16 N 0.00 0.26 -6.44 1.47 4.39 -1.91 -3.44 114.58 108.91 2yup h GLU 16 Ca 0.00 -0.42 -0.54 0.00 0.34 0.00 0.00 59.36 58.74 2yup h GLU 16 Cb 0.00 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 2yup h GLU 16 CO 0.00 1.18 -0.11 0.71 -1.16 0.00 0.00 179.01 179.64 2yup s TYR 17 N -2.49 3.44 0.79 4.33 1.51 -1.16 -4.01 117.35 119.75 2yup s TYR 17 Ca -0.14 0.90 -0.05 0.00 -1.01 0.00 0.00 57.07 56.76 2yup s TYR 17 Cb 0.01 -2.28 0.17 0.00 -0.11 0.00 0.00 41.96 39.74 2yup s TYR 17 CO 0.81 0.28 1.08 0.41 -1.11 0.00 0.00 175.55 177.01 2yup n GLY 18 N -0.07 -0.03 3.19 0.71 0.00 -0.70 -4.91 105.19 103.39 2yup n GLY 18 Ca 0.00 -1.93 -0.27 0.00 0.00 0.00 0.00 46.02 43.82 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 -5.30 1.82 0.20 1.61 2.12 -0.98 -3.07 118.70 115.10 2yup s GLU 19 Ca 0.68 -0.70 -0.09 0.00 0.36 0.00 0.00 54.97 55.22 2yup s GLU 19 Cb -0.03 -1.65 -0.01 0.00 0.26 0.00 0.00 34.13 32.70 2yup s GLU 19 CO 0.46 0.35 0.33 0.00 -0.54 0.00 0.00 175.26 175.85 2yup s ALA 20 N -0.22 0.07 -0.06 6.30 0.00 -1.24 -0.34 121.76 126.27 2yup s ALA 20 Ca 0.01 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 2yup s ALA 20 Cb -0.10 1.00 0.03 0.00 0.00 0.00 0.00 23.12 24.05 2yup s ALA 20 CO 0.01 -0.71 0.15 0.08 0.00 0.00 0.00 175.76 175.29 2yup s VAL 21 N -4.01 -0.03 -0.17 0.00 1.01 1.00 -4.02 120.40 114.19 2yup s VAL 21 Ca 0.22 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.01 2yup s VAL 21 Cb 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 2yup s VAL 21 CO 0.05 0.04 1.39 0.00 0.00 0.00 0.00 175.10 176.57 2yup s ALA 22 N 0.71 3.57 -0.21 5.51 0.00 -1.19 -0.53 121.76 129.62 2yup s ALA 22 Ca -0.05 0.51 -0.03 0.00 0.00 0.00 0.00 51.96 52.39 2yup s ALA 22 Cb -0.07 -3.69 -0.20 0.00 0.00 0.00 0.00 23.12 19.15 2yup s ALA 22 CO -0.04 -1.39 0.00 1.04 0.00 0.00 0.00 175.76 175.38 2yup n GLN 23 N 6.93 0.69 -4.59 0.00 1.13 -1.13 -1.56 117.38 118.85 2yup n GLN 23 Ca 0.15 0.21 -0.22 0.00 -1.94 0.00 0.00 57.00 55.20 2yup n GLN 23 Cb 0.45 -1.60 -0.15 0.00 0.11 0.00 0.00 30.24 29.05 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 -2.53 1.30 0.23 1.08 1.51 -1.11 -4.86 117.35 112.97 2yup s TYR 24 Ca -0.30 -0.28 -0.30 0.00 -1.01 0.00 0.00 57.07 55.18 2yup s TYR 24 Cb 0.08 -0.82 -0.10 0.00 -0.11 0.00 0.00 41.96 41.01 2yup s TYR 24 CO 0.66 -0.00 1.44 0.99 -1.11 0.00 0.00 175.55 177.53 2yup s THR 25 N -0.49 2.72 0.19 -0.71 2.01 -1.26 -4.70 115.64 113.40 2yup s THR 25 Ca 0.05 0.59 0.06 0.00 0.31 0.00 0.00 61.69 62.70 2yup s THR 25 Cb -0.06 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 2yup s THR 25 CO 0.00 0.08 0.09 0.12 -0.69 0.00 0.00 174.62 174.23 2yup s PHE 26 N 0.21 3.02 -0.08 4.92 5.36 -1.23 -5.02 117.98 125.17 2yup s PHE 26 Ca 0.61 -0.08 -0.00 0.00 -0.96 0.00 0.00 56.93 56.49 2yup s PHE 26 Cb -0.41 -1.44 0.02 0.00 -0.34 0.00 0.00 43.02 40.85 2yup s PHE 26 CO 0.41 0.53 -0.04 0.21 -1.46 0.00 0.00 175.22 174.87 2yup s LYS 27 N -3.19 0.97 0.01 10.12 2.20 -1.26 -4.21 119.74 124.39 2yup s LYS 27 Ca 0.30 -0.07 -0.06 0.00 -0.36 0.00 0.00 55.97 55.79 2yup s LYS 27 Cb -0.09 -1.13 -0.01 0.00 -1.51 0.00 0.00 37.83 35.09 2yup s LYS 27 CO 0.22 -0.22 0.10 0.20 -0.36 0.00 0.00 175.35 175.28 2yup s GLY 28 N 1.59 0.11 -0.00 5.54 0.00 -1.26 -5.01 107.32 108.29 2yup s GLY 28 Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 44.72 44.43 2yup s GLY 28 CO -0.04 -0.44 0.06 1.34 0.00 0.00 0.00 173.10 174.02 2yup n ASP 29 N 1.30 2.09 -4.32 1.64 2.03 -1.26 -4.90 116.55 113.13 2yup n ASP 29 Ca -0.22 -0.30 -0.29 0.00 0.52 0.00 0.00 54.79 54.50 2yup n ASP 29 Cb 0.56 1.04 0.16 0.00 -0.72 0.00 0.00 41.12 42.16 2yup n ASP 29 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2yup s LEU 30 N -2.55 2.70 -0.09 -2.67 1.43 -1.26 -5.03 118.68 111.21 2yup s LEU 30 Ca 0.00 0.33 -0.17 0.00 -1.03 0.00 0.00 54.13 53.26 2yup s LEU 30 Cb 0.01 -2.48 -0.13 0.00 0.03 0.00 0.00 46.19 43.62 2yup s LEU 30 CO 0.07 -2.50 0.58 -0.08 0.23 0.00 0.00 176.35 174.66 2yup h GLU 31 N -1.44 -0.12 -0.98 1.70 4.81 -1.99 -3.33 114.58 113.22 2yup h GLU 31 Ca -0.44 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.85 2yup h GLU 31 Cb 1.26 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.60 2yup h GLU 31 CO 0.44 0.31 0.64 -0.39 -0.73 0.00 0.00 179.01 179.27 2yup h VAL 32 N -0.95 1.11 -2.31 0.32 -1.51 -1.95 -3.40 116.25 107.56 2yup h VAL 32 Ca -0.01 -0.40 -0.58 0.00 -1.23 0.00 0.00 66.70 64.47 2yup h VAL 32 Cb 0.48 -0.16 -0.01 0.00 -2.13 0.00 0.00 31.29 29.47 2yup h VAL 32 CO 0.02 0.21 1.38 -1.61 -1.23 0.00 0.00 177.57 176.35 2yup s GLU 33 N -6.02 3.26 -0.26 5.19 8.01 -1.25 -0.68 118.70 126.96 2yup s GLU 33 Ca -0.12 1.79 -0.05 0.00 0.01 0.00 0.00 54.97 56.59 2yup s GLU 33 Cb 0.20 -4.28 -0.00 0.00 -4.31 0.00 0.00 34.13 25.73 2yup s GLU 33 CO 0.81 -1.95 0.02 -1.17 0.01 0.00 0.00 175.26 172.99 2yup s LEU 34 N 7.52 3.39 0.66 1.80 2.96 -0.44 -4.64 118.68 129.94 2yup s LEU 34 Ca 0.91 -0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 54.24 2yup s LEU 34 Cb -0.29 -1.82 0.07 0.00 0.50 0.00 0.00 46.19 44.65 2yup s LEU 34 CO 0.34 -0.10 0.94 -0.44 -1.32 0.00 0.00 176.35 175.77 2yup s SER 35 N 1.49 4.84 0.08 3.68 0.01 -1.26 -4.67 113.70 117.87 2yup s SER 35 Ca 0.04 0.17 -0.26 0.00 1.31 0.00 0.00 55.95 57.21 2yup s SER 35 Cb -0.16 -0.84 0.08 0.00 0.21 0.00 0.00 66.02 65.32 2yup s SER 35 CO -0.00 -1.52 0.79 0.72 0.41 0.00 0.00 173.24 173.64 2yup s PHE 36 N -3.09 -0.38 -0.26 2.43 -0.12 -1.26 -4.99 117.98 110.31 2yup s PHE 36 Ca 0.61 0.18 -0.11 0.00 -0.05 0.00 0.00 56.93 57.55 2yup s PHE 36 Cb -0.10 0.57 -0.05 0.00 -0.63 0.00 0.00 43.02 42.81 2yup s PHE 36 CO 0.43 -0.72 0.19 1.03 -0.05 0.00 0.00 175.22 176.10 2yup s ARG 37 N -3.39 4.00 -0.15 1.99 0.52 -1.26 -3.48 118.95 117.18 2yup s ARG 37 Ca 0.05 -0.28 -0.31 0.00 -0.52 0.00 0.00 55.73 54.67 2yup s ARG 37 Cb -0.01 -3.61 -0.15 0.00 0.52 0.00 0.00 34.95 31.70 2yup s ARG 37 CO -0.08 -0.09 0.94 1.17 0.02 0.00 0.00 175.30 177.26 2yup n LYS 38 N 4.77 0.00 0.00 3.54 4.81 -1.26 -0.61 118.16 129.40 2yup n LYS 38 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 2yup n LYS 38 Cb 0.52 -1.10 0.00 0.00 0.02 0.00 0.00 35.03 34.47 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 1.86 2.23 3.58 3.14 0.00 -0.60 -5.00 105.19 110.39 2yup n GLY 39 Ca 0.18 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 0.61 -3.60 1.61 -0.58 0.22 -4.69 120.64 114.21 2yup n GLU 40 Ca 0.00 0.25 -0.40 0.00 -0.42 0.00 0.00 57.16 56.59 2yup n GLU 40 Cb 0.00 -2.10 -0.11 0.00 -0.57 0.00 0.00 31.44 28.66 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 -1.71 3.23 -0.18 -0.32 3.76 -1.26 -3.15 115.29 115.66 2yup s HIS 41 Ca 0.73 -0.84 -0.08 0.00 -0.15 0.00 0.00 55.06 54.73 2yup s HIS 41 Cb -0.38 -2.43 -0.04 0.00 1.11 0.00 0.00 32.58 30.84 2yup s HIS 41 CO 0.50 -0.60 0.07 0.42 -0.85 0.00 0.00 174.74 174.28 2yup s ILE 42 N 1.58 4.81 -0.12 0.60 1.01 -1.26 -4.71 121.20 123.11 2yup s ILE 42 Ca 0.03 -0.03 -0.26 0.00 0.00 0.00 0.00 60.65 60.40 2yup s ILE 42 Cb -0.19 -3.17 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 2yup s ILE 42 CO 0.07 0.46 0.82 0.00 0.00 0.00 0.00 174.94 176.29 2yup s LEU 44 N 1.69 3.82 0.01 0.00 1.43 -1.17 -3.24 118.68 121.20 2yup s LEU 44 Ca 0.40 -1.45 -0.25 0.00 -1.03 0.00 0.00 54.13 51.80 2yup s LEU 44 Cb -0.17 -2.53 -0.14 0.00 0.03 0.00 0.00 46.19 43.38 2yup s LEU 44 CO 0.16 -1.45 1.06 0.40 0.23 0.00 0.00 176.35 176.75 2yup h ILE 45 N 6.49 0.00 -3.75 -0.59 2.04 -1.76 -1.85 117.51 118.09 2yup h ILE 45 Ca 0.12 -0.30 -0.11 0.00 1.00 0.00 0.00 64.86 65.57 2yup h ILE 45 Cb 1.02 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.94 2yup h ILE 45 CO 1.34 0.00 -0.45 -0.13 0.00 0.00 0.00 178.15 178.91 2yup s ARG 46 N -4.51 0.69 -0.76 2.37 0.52 -1.17 -4.82 118.95 111.27 2yup s ARG 46 Ca -0.13 -0.80 -0.20 0.00 -0.52 0.00 0.00 55.73 54.09 2yup s ARG 46 Cb 0.01 0.28 0.11 0.00 0.52 0.00 0.00 34.95 35.87 2yup s ARG 46 CO 0.40 -0.19 0.96 0.21 0.02 0.00 0.00 175.30 176.69 2yup s LYS 47 N -3.00 3.32 0.17 3.54 2.20 -1.26 -2.07 119.74 122.64 2yup s LYS 47 Ca -0.02 -1.42 -0.15 0.00 -0.36 0.00 0.00 55.97 54.03 2yup s LYS 47 Cb 0.01 -4.53 0.10 0.00 -1.51 0.00 0.00 37.83 31.91 2yup s LYS 47 CO -0.06 -1.70 1.76 -0.24 -0.36 0.00 0.00 175.35 174.74 2yup h VAL 48 N 5.83 0.90 -3.97 4.02 3.04 -1.90 -3.46 116.25 120.70 2yup h VAL 48 Ca -0.09 -0.12 -0.20 0.00 -1.01 0.00 0.00 66.70 65.28 2yup h VAL 48 Cb 1.05 0.52 -0.08 0.00 -2.01 0.00 0.00 31.29 30.77 2yup h VAL 48 CO 1.11 0.06 -0.18 0.20 -1.01 0.00 0.00 177.57 177.75 2yup s ASN 49 N -5.40 0.55 0.00 3.17 0.01 -1.00 -4.98 114.94 107.28 2yup s ASN 49 Ca -0.13 -1.31 0.27 0.00 -0.71 0.00 0.00 52.86 50.98 2yup s ASN 49 Cb 0.13 0.63 1.59 0.00 0.41 0.00 0.00 41.25 44.01 2yup s ASN 49 CO 0.72 -1.25 1.97 -1.84 -1.51 0.00 0.00 177.10 175.20 2yup n GLU 50 N -0.49 0.78 0.00 -0.60 0.00 -1.26 -3.47 120.64 115.60 2yup n GLU 50 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2yup n GLU 50 Cb 0.62 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.56 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 -1.05 3.60 -4.72 -1.84 3.02 -1.26 -5.01 115.26 108.01 2yup n ASN 51 Ca 0.19 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.48 2yup n ASN 51 Cb 0.11 0.34 -0.07 0.00 -0.61 0.00 0.00 39.78 39.56 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 -1.73 2.98 -0.04 3.10 0.52 -1.23 -0.58 118.94 121.97 2yup s TRP 52 Ca 0.00 -0.08 0.02 0.00 0.02 0.00 0.00 56.10 56.06 2yup s TRP 52 Cb 0.00 -1.44 0.01 0.00 -1.15 0.00 0.00 33.47 30.89 2yup s TRP 52 CO 0.00 0.52 -0.08 0.71 0.02 0.00 0.00 176.95 178.12 2yup s TYR 53 N -1.73 0.98 -0.53 -1.98 2.02 0.88 -2.39 117.35 114.60 2yup s TYR 53 Ca 0.29 -0.28 -0.20 0.00 -0.37 0.00 0.00 57.07 56.50 2yup s TYR 53 Cb -0.10 -0.74 0.06 0.00 -0.40 0.00 0.00 41.96 40.78 2yup s TYR 53 CO 0.21 -0.16 0.73 -2.00 -1.57 0.00 0.00 175.55 172.76 2yup s GLU 54 N 0.49 3.16 0.00 -0.62 2.12 -0.88 -0.95 118.70 122.02 2yup s GLU 54 Ca -0.08 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.47 2yup s GLU 54 Cb -0.12 -4.11 0.00 0.00 0.26 0.00 0.00 34.13 30.16 2yup s GLU 54 CO 0.01 -1.35 0.00 0.41 -0.54 0.00 0.00 175.26 173.79 2yup n GLY 55 N 5.18 5.17 3.63 -1.50 0.00 -0.39 -2.17 105.19 115.11 2yup n GLY 55 Ca -0.05 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 43.99 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 2.06 1.45 -0.42 1.61 1.04 -1.20 -3.21 118.95 120.27 2yup s ARG 56 Ca 0.00 -0.68 0.02 0.00 -1.04 0.00 0.00 55.73 54.03 2yup s ARG 56 Cb 0.00 0.57 0.11 0.00 -2.04 0.00 0.00 34.95 33.59 2yup s ARG 56 CO 0.00 -0.65 0.16 0.42 -0.04 0.00 0.00 175.30 175.20 2yup s ILE 57 N -3.74 2.70 -1.01 4.99 -1.09 -0.59 -3.86 121.20 118.61 2yup s ILE 57 Ca 0.06 -2.54 -0.24 0.00 -2.23 0.00 0.00 60.65 55.70 2yup s ILE 57 Cb -0.03 -2.91 -0.04 0.00 -1.58 0.00 0.00 42.46 37.90 2yup s ILE 57 CO -0.04 -0.69 1.87 0.28 -1.23 0.00 0.00 174.94 175.13 2yup s THR 58 N 0.62 3.57 0.00 2.92 -1.32 -1.26 -2.69 115.64 117.47 2yup s THR 58 Ca 0.12 -0.65 0.00 0.00 -1.21 0.00 0.00 61.69 59.96 2yup s THR 58 Cb -0.21 -4.35 0.00 0.00 -1.51 0.00 0.00 72.50 66.42 2yup s THR 58 CO -0.05 -1.15 0.00 0.61 -2.21 0.00 0.00 174.62 171.82 2yup n GLY 59 N 6.52 1.35 0.15 6.08 0.00 -1.26 -4.95 105.19 113.08 2yup n GLY 59 Ca 0.41 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 0.00 -1.62 2.61 -2.24 -1.13 -4.99 114.28 106.91 2yup n THR 60 Ca 0.00 -0.37 -0.14 0.00 -2.27 0.00 0.00 64.05 61.27 2yup n THR 60 Cb 0.00 1.08 -0.05 0.00 -2.10 0.00 0.00 70.33 69.26 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 0.96 1.05 3.37 3.38 0.00 -1.10 -4.99 105.19 107.87 2yup n GLY 61 Ca 0.03 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 2yup n GLY 61 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2yup s ARG 62 N -3.57 3.49 0.25 1.61 1.70 -1.25 -4.98 118.95 116.19 2yup s ARG 62 Ca 0.00 -0.57 0.02 0.00 -0.47 0.00 0.00 55.73 54.71 2yup s ARG 62 Cb 0.00 -3.09 0.02 0.00 -0.57 0.00 0.00 34.95 31.31 2yup s ARG 62 CO 0.00 -0.15 0.14 1.04 -1.08 0.00 0.00 175.30 175.25 2yup n GLN 63 N 4.71 1.19 -0.33 3.89 6.02 -1.26 -1.54 117.38 130.06 2yup n GLN 63 Ca -0.17 -1.65 0.00 0.00 -0.01 0.00 0.00 57.00 55.17 2yup n GLN 63 Cb 0.51 0.25 0.00 0.00 1.02 0.00 0.00 30.24 32.02 2yup n GLN 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2yup n GLY 64 N 1.96 0.73 3.98 1.08 0.00 -1.20 -4.70 105.19 107.04 2yup n GLY 64 Ca -0.03 -1.88 -0.20 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.39 2.48 -0.01 -0.61 -4.36 0.15 -1.26 121.20 116.20 2yup s ILE 65 Ca 0.00 -1.13 -0.28 0.00 -0.26 0.00 0.00 60.65 58.98 2yup s ILE 65 Cb 0.00 -2.61 0.10 0.00 1.25 0.00 0.00 42.46 41.20 2yup s ILE 65 CO 0.00 0.00 0.85 0.72 0.24 0.00 0.00 174.94 176.75 2yup s PHE 66 N -2.53 -0.40 0.25 1.37 -0.71 -0.13 -1.33 117.98 114.50 2yup s PHE 66 Ca 0.53 0.37 -0.30 0.00 -1.04 0.00 0.00 56.93 56.50 2yup s PHE 66 Cb -0.06 0.52 -0.09 0.00 -1.21 0.00 0.00 43.02 42.17 2yup s PHE 66 CO 0.33 -0.56 1.27 -1.25 -1.34 0.00 0.00 175.22 173.67 2yup s PRO 67 N -2.73 4.42 0.23 1.99 0.04 -1.26 -0.09 135.00 137.60 2yup s PRO 67 Ca 0.02 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.13 2yup s PRO 67 Cb -0.01 -3.16 0.23 0.00 0.04 0.00 0.00 34.50 31.60 2yup s PRO 67 CO -0.06 -0.15 1.57 0.00 0.04 0.00 0.00 177.00 178.39 2yup h ALA 68 N 4.53 0.84 0.00 8.56 0.00 -1.15 -2.73 119.26 129.31 2yup h ALA 68 Ca -0.46 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 53.95 2yup h ALA 68 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2yup h ALA 68 CO 0.72 0.68 0.00 0.45 0.00 0.00 0.00 179.25 181.10 2yup n SER 69 N -3.94 0.00 -0.09 0.00 2.88 -1.26 -1.92 113.62 109.28 2yup n SER 69 Ca -0.02 0.42 -0.21 0.00 -1.33 0.00 0.00 58.87 57.73 2yup n SER 69 Cb 0.58 -0.44 -0.12 0.00 -0.75 0.00 0.00 64.21 63.48 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 -1.44 0.39 -3.56 0.66 4.02 -1.03 -4.98 117.16 111.22 2yup n TYR 70 Ca 0.01 0.10 -0.21 0.00 -0.01 0.00 0.00 57.90 57.79 2yup n TYR 70 Cb 0.04 -1.05 -0.02 0.00 -0.02 0.00 0.00 39.34 38.29 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 -2.52 2.49 -0.13 -0.72 -7.23 -0.81 -2.76 120.40 108.72 2yup s VAL 71 Ca -0.32 -1.33 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 2yup s VAL 71 Cb 0.09 -2.82 0.02 0.00 0.56 0.00 0.00 36.38 34.22 2yup s VAL 71 CO 0.63 0.00 -0.16 -1.58 -0.31 0.00 0.00 175.10 173.68 2yup s GLN 72 N -4.19 2.43 -0.24 4.82 2.00 0.31 -4.80 119.66 119.99 2yup s GLN 72 Ca 0.47 -0.62 -0.15 0.00 -2.00 0.00 0.00 55.36 53.06 2yup s GLN 72 Cb -0.03 -2.11 -0.04 0.00 0.80 0.00 0.00 33.01 31.63 2yup s GLN 72 CO 0.28 -0.13 0.35 0.54 -0.50 0.00 0.00 175.29 175.83 2yup s VAL 73 N 1.18 5.21 -0.11 1.34 0.11 -1.26 -0.00 120.40 126.87 2yup s VAL 73 Ca -0.01 0.57 -0.07 0.00 -2.93 0.00 0.00 61.98 59.53 2yup s VAL 73 Cb -0.14 -3.68 -0.27 0.00 -1.53 0.00 0.00 36.38 30.76 2yup s VAL 73 CO -0.06 0.22 0.40 0.28 -3.33 0.00 0.00 175.10 172.61 2yup h SER 74 N 7.75 0.44 -3.05 3.54 0.02 -1.05 -3.43 113.55 117.78 2yup h SER 74 Ca -0.34 -0.96 -0.61 0.00 -0.84 0.00 0.00 61.79 59.04 2yup h SER 74 Cb 1.16 -0.14 -0.40 0.00 0.14 0.00 0.00 62.40 63.16 2yup h SER 74 CO 0.67 1.85 -0.72 -0.60 -1.14 0.00 0.00 176.83 176.89 2yup s ARG 75 N -2.56 1.75 0.30 3.45 3.52 -1.14 -4.96 118.95 119.31 2yup s ARG 75 Ca -0.22 -2.67 -0.21 0.00 -0.13 0.00 0.00 55.73 52.50 2yup s ARG 75 Cb 0.06 -2.62 -0.15 0.00 -1.56 0.00 0.00 34.95 30.68 2yup s ARG 75 CO 0.78 -1.28 0.22 0.39 -0.81 0.00 0.00 175.30 174.60 2yup n GLU 76 N 2.61 0.00 -2.26 5.12 1.02 -1.26 -2.32 120.64 123.56 2yup n GLU 76 Ca 0.19 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.97 2yup n GLU 76 Cb 0.38 -0.90 -0.00 0.00 -0.02 0.00 0.00 31.44 30.90 2yup n GLU 76 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2yup s PRO 77 N -0.90 3.55 -0.09 3.49 0.04 -1.26 -4.70 135.00 135.12 2yup s PRO 77 Ca 0.55 1.69 0.03 0.00 0.04 0.00 0.00 61.00 63.30 2yup s PRO 77 Cb -0.67 -2.19 0.01 0.00 0.04 0.00 0.00 34.50 31.69 2yup s PRO 77 CO 0.55 -0.71 -0.18 0.50 0.04 0.00 0.00 177.00 177.20 2yup s ARG 78 N -3.01 2.40 -0.20 4.56 6.06 -1.26 -4.99 118.95 122.52 2yup s ARG 78 Ca 0.68 -0.64 0.11 0.00 -2.50 0.00 0.00 55.73 53.38 2yup s ARG 78 Cb -0.26 -1.92 -0.20 0.00 0.06 0.00 0.00 34.95 32.63 2yup s ARG 78 CO 0.30 0.05 -0.04 1.28 -2.50 0.00 0.00 175.30 174.40 2yup n LEU 79 N 3.85 1.11 -3.59 -0.88 7.99 -1.26 -4.87 117.00 119.35 2yup n LEU 79 Ca -0.20 -0.05 -0.26 0.00 -0.01 0.00 0.00 56.01 55.49 2yup n LEU 79 Cb 0.52 -0.02 -0.16 0.00 -0.11 0.00 0.00 43.42 43.64 2yup n LEU 79 CO 0.26 0.61 -0.32 -0.13 -1.51 0.00 0.00 177.39 176.30 2yup s ARG 80 N -2.45 0.09 -0.99 3.23 1.81 -1.26 -5.08 118.95 114.30 2yup s ARG 80 Ca -0.17 -0.14 -0.24 0.00 -1.72 0.00 0.00 55.73 53.46 2yup s ARG 80 Cb 0.06 -1.68 -0.03 0.00 -0.45 0.00 0.00 34.95 32.86 2yup s ARG 80 CO 0.67 -0.73 1.83 -0.51 -0.68 0.00 0.00 175.30 175.88 2yup s LEU 81 N 2.15 3.25 0.10 2.53 1.02 -1.26 -4.92 118.68 121.55 2yup s LEU 81 Ca 0.03 -1.09 0.07 0.00 0.02 0.00 0.00 54.13 53.16 2yup s LEU 81 Cb -0.16 -2.57 -0.03 0.00 0.02 0.00 0.00 46.19 43.45 2yup s LEU 81 CO -0.14 -2.46 -0.18 0.00 0.02 0.00 0.00 176.35 173.60 2yup s ASP 83 N -2.04 5.30 -1.00 0.00 -4.77 -1.26 -5.04 116.67 107.86 2yup s ASP 83 Ca 0.06 -1.39 -0.15 0.00 -3.30 0.00 0.00 52.55 47.77 2yup s ASP 83 Cb -0.09 -1.86 0.19 0.00 -1.09 0.00 0.00 42.92 40.08 2yup s ASP 83 CO 0.04 -0.40 1.10 1.51 0.70 0.00 0.00 175.17 178.12 2yup s ASP 84 N 1.60 6.90 0.18 2.11 -4.77 -1.26 -4.91 116.67 116.52 2yup s ASP 84 Ca 0.00 -2.73 -0.26 0.00 -3.30 0.00 0.00 52.55 46.27 2yup s ASP 84 Cb -0.21 -2.31 0.04 0.00 -1.09 0.00 0.00 42.92 39.35 2yup s ASP 84 CO 0.01 -0.71 1.51 -1.20 0.70 0.00 0.00 175.17 175.48 2yup n SER 85 N 4.92 -0.89 0.00 2.11 7.64 -1.26 -4.86 113.62 121.27 2yup n SER 85 Ca 0.24 1.73 0.00 0.00 1.01 0.00 0.00 58.87 61.85 2yup n SER 85 Cb 0.45 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 2yup n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yup n GLY 86 N -1.32 0.67 3.61 0.23 0.00 -1.26 -4.83 105.19 102.29 2yup n GLY 86 Ca 0.05 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 -0.84 -0.19 1.61 0.04 -1.26 -5.05 135.00 129.31 2yup s PRO 87 Ca 0.00 0.07 -0.02 0.00 0.04 0.00 0.00 61.00 61.10 2yup s PRO 87 Cb 0.00 -1.63 -0.00 0.00 0.04 0.00 0.00 34.50 32.91 2yup s PRO 87 CO 0.00 -3.49 -0.10 -1.54 0.04 0.00 0.00 177.00 171.91 2yup s SER 88 N -3.78 3.92 -0.08 6.66 1.04 -1.26 -5.10 113.70 115.11 2yup s SER 88 Ca 0.70 -0.45 -0.12 0.00 0.48 0.00 0.00 55.95 56.55 2yup s SER 88 Cb -0.12 -1.64 0.03 0.00 0.10 0.00 0.00 66.02 64.38 2yup s SER 88 CO 0.56 0.02 0.30 -0.44 0.98 0.00 0.00 173.24 174.67 2yup s SER 89 N 1.23 -0.26 0.00 7.02 0.01 -1.26 -5.34 113.70 115.10 2yup s SER 89 Ca 0.03 0.41 0.20 0.00 1.31 0.00 0.00 55.95 57.89 2yup s SER 89 Cb -0.14 0.51 1.21 0.00 0.21 0.00 0.00 66.02 67.80 2yup s SER 89 CO -0.04 -0.24 1.59 0.61 0.41 0.00 0.00 173.24 175.57