#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 5.13 -0.09 1.61 0.01 -1.26 -5.06 113.70 114.04 2yup s SER 2 Ca 0.00 -0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.16 2yup s SER 2 Cb 0.00 -1.29 -0.00 0.00 0.21 0.00 0.00 66.02 64.94 2yup s SER 2 CO 0.00 0.21 0.03 -1.28 0.41 0.00 0.00 173.24 172.61 2yup h SER 3 N 3.74 -0.02 0.00 2.44 0.87 -2.14 -3.50 113.55 114.94 2yup h SER 3 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2yup h SER 3 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2yup h SER 3 CO 0.60 0.46 0.00 0.61 -0.53 0.00 0.00 176.83 177.97 2yup n GLY 4 N 1.73 3.19 3.50 5.77 0.00 -1.26 -5.19 105.19 112.93 2yup n GLY 4 Ca -0.00 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 2yup n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yup s SER 5 N 2.00 0.92 0.82 1.61 0.15 -1.26 -5.16 113.70 112.77 2yup s SER 5 Ca 0.00 -1.49 -0.11 0.00 0.70 0.00 0.00 55.95 55.05 2yup s SER 5 Cb 0.00 0.67 0.08 0.00 -1.71 0.00 0.00 66.02 65.07 2yup s SER 5 CO 0.00 -1.32 1.09 -0.55 1.20 0.00 0.00 173.24 173.66 2yup s SER 6 N -3.24 4.15 0.00 5.45 0.15 -1.26 -4.96 113.70 113.99 2yup s SER 6 Ca 0.30 1.56 0.00 0.00 0.70 0.00 0.00 55.95 58.51 2yup s SER 6 Cb -0.01 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2yup s SER 6 CO 0.20 -2.22 0.00 0.61 1.20 0.00 0.00 173.24 173.03 2yup n GLY 7 N -1.43 0.51 3.08 9.45 0.00 -1.26 -5.12 105.19 110.42 2yup n GLY 7 Ca 0.08 -1.58 -0.18 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.00 0.78 -0.34 1.61 0.00 -1.26 -5.11 119.74 113.42 2yup s LYS 8 Ca 0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 55.97 55.12 2yup s LYS 8 Cb 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 37.83 37.08 2yup s LYS 8 CO 0.00 0.19 1.69 -1.25 0.00 0.00 0.00 175.35 175.98 2yup s PRO 9 N -0.79 3.43 0.97 1.78 0.04 -1.26 -5.00 135.00 134.17 2yup s PRO 9 Ca 0.01 1.33 -0.12 0.00 0.04 0.00 0.00 61.00 62.26 2yup s PRO 9 Cb -0.06 -4.14 0.17 0.00 0.04 0.00 0.00 34.50 30.50 2yup s PRO 9 CO 0.00 -1.74 1.09 -1.25 0.04 0.00 0.00 177.00 175.15 2yup s PRO 10 N 5.40 0.68 -0.30 0.56 0.04 -1.26 -5.08 135.00 135.05 2yup s PRO 10 Ca 0.75 0.62 -0.11 0.00 0.04 0.00 0.00 61.00 62.30 2yup s PRO 10 Cb -0.21 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.74 2yup s PRO 10 CO 0.33 -2.58 0.87 -0.08 0.04 0.00 0.00 177.00 175.58 2yup s THR 11 N -2.95 -0.63 -0.54 1.26 -1.32 -1.26 -5.12 115.64 105.07 2yup s THR 11 Ca 0.65 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.84 2yup s THR 11 Cb -0.18 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.83 2yup s THR 11 CO 0.57 0.00 1.22 -0.47 -2.21 0.00 0.00 174.62 173.74 2yup s TYR 12 N 2.73 2.60 -0.56 9.09 5.04 -1.26 -4.92 117.35 130.07 2yup s TYR 12 Ca 0.02 0.51 0.07 0.00 -2.44 0.00 0.00 57.07 55.23 2yup s TYR 12 Cb -0.10 -4.47 0.27 0.00 0.35 0.00 0.00 41.96 38.01 2yup s TYR 12 CO -0.17 -1.59 0.74 0.94 -1.34 0.00 0.00 175.55 174.13 2yup n GLN 13 N 8.32 2.17 -0.02 4.97 -0.06 -1.26 -4.79 117.38 126.71 2yup n GLN 13 Ca 0.10 -4.31 -0.00 0.00 -2.00 0.00 0.00 57.00 50.78 2yup n GLN 13 Cb 0.49 -2.00 -0.05 0.00 -4.06 0.00 0.00 30.24 24.62 2yup n GLN 13 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 2yup n VAL 14 N 0.72 0.25 -1.02 1.69 0.31 -1.26 -5.02 118.33 114.00 2yup n VAL 14 Ca 0.28 -0.22 -0.45 0.00 -0.01 0.00 0.00 64.34 63.94 2yup n VAL 14 Cb 0.45 -0.36 -0.08 0.00 -0.91 0.00 0.00 33.84 32.94 2yup n VAL 14 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2yup n LEU 15 N -2.03 0.65 -0.09 7.52 4.32 -1.26 -4.80 117.00 121.31 2yup n LEU 15 Ca -0.06 0.62 -0.15 0.00 -0.02 0.00 0.00 56.01 56.39 2yup n LEU 15 Cb 0.49 -0.64 -0.14 0.00 -1.62 0.00 0.00 43.42 41.51 2yup n LEU 15 CO 0.13 -0.57 -1.13 -0.62 -1.22 0.00 0.00 177.39 173.98 2yup n GLU 16 N 4.50 0.68 -0.50 3.23 1.02 -1.26 -4.98 120.64 123.32 2yup n GLU 16 Ca 0.33 0.14 -0.26 0.00 -0.02 0.00 0.00 57.16 57.35 2yup n GLU 16 Cb -0.03 -1.58 0.24 0.00 -0.02 0.00 0.00 31.44 30.05 2yup n GLU 16 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2yup n TYR 17 N -3.14 -3.65 -1.53 -0.32 4.01 -1.26 -4.78 117.16 106.49 2yup n TYR 17 Ca -0.37 -0.77 -0.35 0.00 -0.16 0.00 0.00 57.90 56.25 2yup n TYR 17 Cb 1.05 -1.03 0.08 0.00 -0.31 0.00 0.00 39.34 39.13 2yup n TYR 17 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2yup s GLY 18 N -3.49 2.46 -0.13 2.72 0.00 -1.17 -4.79 107.32 102.91 2yup s GLY 18 Ca 0.59 0.94 -0.02 0.00 0.00 0.00 0.00 44.72 46.24 2yup s GLY 18 CO 0.48 1.35 -0.06 1.85 0.00 0.00 0.00 173.10 176.72 2yup s GLU 19 N -3.78 3.39 0.02 2.90 2.56 -0.99 -0.53 118.70 122.26 2yup s GLU 19 Ca 0.76 -0.55 -0.01 0.00 0.00 0.00 0.00 54.97 55.17 2yup s GLU 19 Cb -0.31 -2.78 -0.02 0.00 2.00 0.00 0.00 34.13 33.03 2yup s GLU 19 CO 0.43 0.35 -0.01 0.00 -0.56 0.00 0.00 175.26 175.47 2yup s ALA 20 N 0.05 0.06 -0.07 6.30 0.00 -1.04 -1.74 121.76 125.31 2yup s ALA 20 Ca -0.01 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.50 2yup s ALA 20 Cb -0.14 0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.12 2yup s ALA 20 CO 0.03 -0.15 -0.20 0.08 0.00 0.00 0.00 175.76 175.51 2yup s VAL 21 N -1.35 1.73 -0.06 0.00 1.01 -0.64 -2.48 120.40 118.62 2yup s VAL 21 Ca -0.15 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 2yup s VAL 21 Cb -0.09 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 2yup s VAL 21 CO -0.01 0.49 1.34 0.00 0.00 0.00 0.00 175.10 176.92 2yup s ALA 22 N 0.23 3.58 -0.24 5.51 0.00 -1.16 -0.40 121.76 129.28 2yup s ALA 22 Ca -0.11 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.59 2yup s ALA 22 Cb -0.15 -3.59 -0.16 0.00 0.00 0.00 0.00 23.12 19.22 2yup s ALA 22 CO 0.05 -0.98 -0.21 1.04 0.00 0.00 0.00 175.76 175.66 2yup n GLN 23 N 5.77 0.61 -5.26 0.00 1.13 -1.17 -0.60 117.38 117.86 2yup n GLN 23 Ca 0.13 0.14 -0.31 0.00 -1.94 0.00 0.00 57.00 55.02 2yup n GLN 23 Cb 0.44 -1.48 -0.16 0.00 0.11 0.00 0.00 30.24 29.15 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 -2.48 2.42 -0.51 1.08 1.51 -1.16 -4.80 117.35 113.41 2yup s TYR 24 Ca -0.33 -0.62 -0.27 0.00 -1.01 0.00 0.00 57.07 54.85 2yup s TYR 24 Cb 0.08 -1.57 -0.02 0.00 -0.11 0.00 0.00 41.96 40.34 2yup s TYR 24 CO 0.56 -0.15 1.85 0.99 -1.11 0.00 0.00 175.55 177.69 2yup s THR 25 N -0.31 3.40 0.62 -0.71 2.01 -1.26 -4.63 115.64 114.75 2yup s THR 25 Ca 0.01 0.31 -0.03 0.00 0.31 0.00 0.00 61.69 62.29 2yup s THR 25 Cb -0.13 -3.81 0.04 0.00 0.01 0.00 0.00 72.50 68.61 2yup s THR 25 CO 0.02 -0.70 0.89 0.12 -0.69 0.00 0.00 174.62 174.26 2yup s PHE 26 N 8.41 2.98 -0.17 4.92 5.36 -1.20 -5.00 117.98 133.27 2yup s PHE 26 Ca 0.72 0.32 -0.14 0.00 -0.96 0.00 0.00 56.93 56.87 2yup s PHE 26 Cb -0.16 -2.91 0.05 0.00 -0.34 0.00 0.00 43.02 39.66 2yup s PHE 26 CO 0.25 -1.06 0.45 0.21 -1.46 0.00 0.00 175.22 173.61 2yup s LYS 27 N -5.00 0.49 -0.02 10.12 2.20 -1.26 -3.93 119.74 122.34 2yup s LYS 27 Ca 0.57 0.69 -0.17 0.00 -0.36 0.00 0.00 55.97 56.70 2yup s LYS 27 Cb -0.11 0.17 0.03 0.00 -1.51 0.00 0.00 37.83 36.42 2yup s LYS 27 CO 0.42 -0.09 0.36 0.20 -0.36 0.00 0.00 175.35 175.88 2yup s GLY 28 N 0.60 -0.21 -0.09 5.54 0.00 -1.26 -4.93 107.32 106.97 2yup s GLY 28 Ca -0.03 0.44 0.13 0.00 0.00 0.00 0.00 44.72 45.27 2yup s GLY 28 CO -0.04 0.22 0.15 1.34 0.00 0.00 0.00 173.10 174.77 2yup n ASP 29 N 1.22 1.60 -4.82 1.64 2.03 -1.26 -4.81 116.55 112.14 2yup n ASP 29 Ca -0.21 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.78 2yup n ASP 29 Cb 0.56 1.14 0.01 0.00 -0.72 0.00 0.00 41.12 42.11 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 -4.66 3.44 0.12 -2.67 1.43 -1.26 -4.97 118.68 110.10 2yup s LEU 30 Ca -0.06 1.70 -0.20 0.00 -1.03 0.00 0.00 54.13 54.54 2yup s LEU 30 Cb 0.06 -4.52 -0.07 0.00 0.03 0.00 0.00 46.19 41.69 2yup s LEU 30 CO 0.58 -1.08 1.75 -0.08 0.23 0.00 0.00 176.35 177.76 2yup h GLU 31 N 0.28 0.13 -0.63 1.70 4.57 -1.98 -2.73 114.58 115.92 2yup h GLU 31 Ca -0.46 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 57.72 2yup h GLU 31 Cb 1.21 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.74 2yup h GLU 31 CO 0.58 0.08 0.42 -0.39 -1.18 0.00 0.00 179.01 178.52 2yup h VAL 32 N 0.13 1.15 -1.97 0.32 -1.51 -1.93 -3.39 116.25 109.05 2yup h VAL 32 Ca 0.06 -0.29 -0.50 0.00 -1.23 0.00 0.00 66.70 64.74 2yup h VAL 32 Cb 0.03 0.23 -0.03 0.00 -2.13 0.00 0.00 31.29 29.39 2yup h VAL 32 CO -0.06 0.15 1.40 -1.61 -1.23 0.00 0.00 177.57 176.22 2yup s GLU 33 N -6.14 2.58 -0.23 5.19 0.41 -1.03 -0.52 118.70 118.96 2yup s GLU 33 Ca -0.13 0.81 -0.12 0.00 -0.41 0.00 0.00 54.97 55.13 2yup s GLU 33 Cb 0.14 -4.41 -0.05 0.00 -1.78 0.00 0.00 34.13 28.03 2yup s GLU 33 CO 0.76 -2.77 0.21 -1.17 -0.49 0.00 0.00 175.26 171.80 2yup s LEU 34 N 9.47 4.13 0.55 1.80 2.96 -0.39 -4.51 118.68 132.69 2yup s LEU 34 Ca 0.73 0.20 0.02 0.00 -0.22 0.00 0.00 54.13 54.87 2yup s LEU 34 Cb -0.14 -2.19 0.04 0.00 0.50 0.00 0.00 46.19 44.40 2yup s LEU 34 CO 0.23 0.04 0.77 -0.94 -1.32 0.00 0.00 176.35 175.12 2yup s SER 35 N 1.04 5.24 0.06 3.68 1.04 -1.26 -4.68 113.70 118.81 2yup s SER 35 Ca 0.10 -0.11 -0.27 0.00 0.48 0.00 0.00 55.95 56.15 2yup s SER 35 Cb -0.14 -0.75 0.09 0.00 0.10 0.00 0.00 66.02 65.33 2yup s SER 35 CO 0.05 -1.16 0.84 0.72 0.98 0.00 0.00 173.24 174.67 2yup s PHE 36 N -2.74 -0.35 -0.21 5.02 -0.12 -1.25 -5.01 117.98 113.32 2yup s PHE 36 Ca 0.58 0.17 -0.09 0.00 -0.05 0.00 0.00 56.93 57.54 2yup s PHE 36 Cb -0.10 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 2yup s PHE 36 CO 0.38 -0.66 0.10 1.03 -0.05 0.00 0.00 175.22 176.02 2yup s ARG 37 N -3.29 4.01 -0.19 1.99 0.52 -1.26 -3.27 118.95 117.46 2yup s ARG 37 Ca 0.05 -0.32 -0.42 0.00 -0.52 0.00 0.00 55.73 54.53 2yup s ARG 37 Cb -0.01 -3.35 -0.20 0.00 0.52 0.00 0.00 34.95 31.91 2yup s ARG 37 CO -0.08 0.18 1.25 1.17 0.02 0.00 0.00 175.30 177.84 2yup n LYS 38 N 3.87 0.00 0.00 3.54 4.81 -1.26 -0.87 118.16 128.25 2yup n LYS 38 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 2yup n LYS 38 Cb 0.52 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 34.09 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 2.41 3.10 3.38 3.14 0.00 0.24 -4.98 105.19 112.48 2yup n GLY 39 Ca 0.24 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 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 0.29 -3.55 1.61 -0.58 -0.05 -4.59 120.64 113.77 2yup n GLU 40 Ca 0.00 0.12 -0.41 0.00 -0.42 0.00 0.00 57.16 56.45 2yup n GLU 40 Cb 0.00 -1.51 -0.10 0.00 -0.57 0.00 0.00 31.44 29.26 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 -1.86 3.28 -0.22 -0.32 3.76 -1.26 -2.99 115.29 115.68 2yup s HIS 41 Ca 0.63 -1.19 -0.10 0.00 -0.15 0.00 0.00 55.06 54.25 2yup s HIS 41 Cb -0.42 -2.84 -0.05 0.00 1.11 0.00 0.00 32.58 30.38 2yup s HIS 41 CO 0.60 -0.77 0.13 0.42 -0.85 0.00 0.00 174.74 174.27 2yup s ILE 42 N 1.52 5.23 -0.37 0.60 1.01 -1.03 -4.70 121.20 123.46 2yup s ILE 42 Ca 0.03 0.13 -0.24 0.00 0.00 0.00 0.00 60.65 60.57 2yup s ILE 42 Cb -0.22 -3.42 0.01 0.00 0.01 0.00 0.00 42.46 38.84 2yup s ILE 42 CO 0.05 0.38 0.85 0.00 0.00 0.00 0.00 174.94 176.22 2yup s LEU 44 N 3.29 2.77 0.16 0.00 1.43 0.31 -2.68 118.68 123.96 2yup s LEU 44 Ca 0.35 -0.53 -0.24 0.00 -1.03 0.00 0.00 54.13 52.67 2yup s LEU 44 Cb -0.13 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.55 2yup s LEU 44 CO 0.18 -3.90 1.60 0.40 0.23 0.00 0.00 176.35 174.85 2yup h ILE 45 N 7.19 0.24 -2.54 -0.59 2.04 -0.65 -3.09 117.51 120.11 2yup h ILE 45 Ca 0.04 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.80 2yup h ILE 45 Cb 0.99 0.24 -0.24 0.00 -0.74 0.00 0.00 36.82 37.08 2yup h ILE 45 CO 1.06 0.00 -0.16 -0.60 0.00 0.00 0.00 178.15 178.45 2yup s ARG 46 N -5.99 0.55 -0.52 2.37 6.06 -1.07 -4.85 118.95 115.51 2yup s ARG 46 Ca -0.15 0.73 -0.28 0.00 -2.50 0.00 0.00 55.73 53.53 2yup s ARG 46 Cb 0.12 0.21 0.02 0.00 0.06 0.00 0.00 34.95 35.37 2yup s ARG 46 CO 0.67 -0.09 1.33 0.21 -2.50 0.00 0.00 175.30 174.92 2yup s LYS 47 N 0.55 3.47 0.01 5.12 2.20 -1.26 -2.43 119.74 127.40 2yup s LYS 47 Ca -0.02 0.54 -0.15 0.00 -0.36 0.00 0.00 55.97 55.97 2yup s LYS 47 Cb -0.04 -4.05 -0.08 0.00 -1.51 0.00 0.00 37.83 32.15 2yup s LYS 47 CO -0.03 -1.72 0.99 0.28 -0.36 0.00 0.00 175.35 174.51 2yup h VAL 48 N 6.33 0.00 -4.23 4.02 2.07 -1.85 -3.48 116.25 119.11 2yup h VAL 48 Ca -0.26 -0.12 -0.38 0.00 0.82 0.00 0.00 66.70 66.76 2yup h VAL 48 Cb 1.08 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.76 2yup h VAL 48 CO 1.15 0.00 -0.36 0.59 0.02 0.00 0.00 177.57 178.97 2yup n ASN 49 N -3.78 -0.26 0.00 0.57 3.02 -0.13 -4.97 115.26 109.71 2yup n ASN 49 Ca -0.07 -2.68 0.09 0.00 -0.03 0.00 0.00 54.58 51.90 2yup n ASN 49 Cb 0.21 1.20 0.51 0.00 -0.61 0.00 0.00 39.78 41.09 2yup n ASN 49 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2yup n GLU 50 N -0.52 0.51 0.00 3.52 0.28 -1.26 -3.60 120.64 119.57 2yup n GLU 50 Ca 0.04 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 2yup n GLU 50 Cb 0.46 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.83 2yup n GLU 50 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2yup n ASN 51 N -1.04 1.13 -4.85 -1.84 4.13 -1.26 -5.04 115.26 106.49 2yup n ASN 51 Ca 0.13 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 56.04 2yup n ASN 51 Cb 0.07 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.25 2yup n ASN 51 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2yup s TRP 52 N -1.62 3.59 0.23 3.10 0.52 -1.24 -1.82 118.94 121.70 2yup s TRP 52 Ca 0.00 1.06 0.02 0.00 0.02 0.00 0.00 56.10 57.20 2yup s TRP 52 Cb 0.00 -2.37 -0.05 0.00 -1.15 0.00 0.00 33.47 29.90 2yup s TRP 52 CO 0.00 0.41 0.05 0.71 0.02 0.00 0.00 176.95 178.14 2yup s TYR 53 N -1.50 1.44 -0.11 -1.98 2.02 -0.77 -0.95 117.35 115.49 2yup s TYR 53 Ca 0.39 -1.09 -0.01 0.00 -0.37 0.00 0.00 57.07 55.99 2yup s TYR 53 Cb -0.15 -0.84 0.03 0.00 -0.40 0.00 0.00 41.96 40.61 2yup s TYR 53 CO 0.19 -0.25 -0.02 -2.00 -1.57 0.00 0.00 175.55 171.90 2yup s GLU 54 N -3.97 0.95 0.21 -0.62 2.12 -1.02 -1.26 118.70 115.12 2yup s GLU 54 Ca 0.32 -0.15 0.01 0.00 0.36 0.00 0.00 54.97 55.52 2yup s GLU 54 Cb 0.07 -1.44 -0.05 0.00 0.26 0.00 0.00 34.13 32.97 2yup s GLU 54 CO 0.10 -0.36 0.05 0.20 -0.54 0.00 0.00 175.26 174.70 2yup s GLY 55 N 1.84 1.44 0.22 -1.50 0.00 -0.25 0.08 107.32 109.16 2yup s GLY 55 Ca 0.04 -1.71 0.08 0.00 0.00 0.00 0.00 44.72 43.13 2yup s GLY 55 CO -0.07 -1.55 0.01 1.09 0.00 0.00 0.00 173.10 172.59 2yup s ARG 56 N -3.98 2.40 -0.65 2.90 1.70 -1.09 -1.58 118.95 118.64 2yup s ARG 56 Ca 0.30 -1.23 -0.04 0.00 -0.47 0.00 0.00 55.73 54.30 2yup s ARG 56 Cb 0.07 -2.29 0.17 0.00 -0.57 0.00 0.00 34.95 32.32 2yup s ARG 56 CO 0.08 0.41 0.48 0.42 -1.08 0.00 0.00 175.30 175.62 2yup s ILE 57 N -2.00 3.88 0.96 4.99 -1.09 -1.03 -3.68 121.20 123.23 2yup s ILE 57 Ca 0.29 -2.97 -0.13 0.00 -2.23 0.00 0.00 60.65 55.61 2yup s ILE 57 Cb -0.08 -3.51 0.01 0.00 -1.58 0.00 0.00 42.46 37.30 2yup s ILE 57 CO 0.20 -0.90 0.23 1.07 -1.23 0.00 0.00 174.94 174.31 2yup n THR 58 N 3.46 0.00 0.00 2.92 5.66 -1.26 -1.08 114.28 123.98 2yup n THR 58 Ca 0.09 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 2yup n THR 58 Cb 0.38 -0.53 0.00 0.00 -1.55 0.00 0.00 70.33 68.63 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 1.78 1.77 0.06 1.09 0.00 -1.26 -4.42 105.19 104.22 2yup n GLY 59 Ca 0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 2yup n GLY 59 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2yup h THR 60 N 0.00 0.19 0.00 2.61 1.35 -2.00 -3.49 112.91 111.57 2yup h THR 60 Ca 0.00 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 2yup h THR 60 Cb 0.00 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 66.83 2yup h THR 60 CO 0.00 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 2yup n GLY 61 N 1.67 0.96 3.57 5.82 0.00 -0.24 -5.08 105.19 111.88 2yup n GLY 61 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.11 3.51 0.41 1.61 1.70 -1.25 -4.79 118.95 120.03 2yup s ARG 62 Ca 0.00 0.16 0.07 0.00 -0.47 0.00 0.00 55.73 55.49 2yup s ARG 62 Cb 0.00 -3.98 -0.06 0.00 -0.57 0.00 0.00 34.95 30.34 2yup s ARG 62 CO 0.00 -1.46 0.11 1.14 -1.08 0.00 0.00 175.30 174.01 2yup s GLN 63 N 4.29 2.12 0.00 3.89 -2.07 -1.26 -2.47 119.66 124.17 2yup s GLN 63 Ca 0.39 -1.93 0.00 0.00 -1.82 0.00 0.00 55.36 52.00 2yup s GLN 63 Cb -0.09 -1.86 0.00 0.00 -1.09 0.00 0.00 33.01 29.97 2yup s GLN 63 CO 0.25 -0.07 0.00 0.41 -1.32 0.00 0.00 175.29 174.56 2yup n GLY 64 N -1.12 -0.55 3.61 2.60 0.00 -0.62 -4.81 105.19 104.30 2yup n GLY 64 Ca -0.03 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.88 2.67 -0.03 -0.61 -4.36 0.32 -1.09 121.20 114.22 2yup s ILE 65 Ca 0.00 -2.04 -0.29 0.00 -0.26 0.00 0.00 60.65 58.06 2yup s ILE 65 Cb 0.00 -2.73 0.10 0.00 1.25 0.00 0.00 42.46 41.08 2yup s ILE 65 CO 0.00 -0.24 0.87 0.72 0.24 0.00 0.00 174.94 176.53 2yup s PHE 66 N -2.50 -0.40 0.24 1.37 -0.12 -0.39 -1.27 117.98 114.92 2yup s PHE 66 Ca 0.34 0.40 -0.30 0.00 -0.05 0.00 0.00 56.93 57.32 2yup s PHE 66 Cb -0.01 0.51 -0.09 0.00 -0.63 0.00 0.00 43.02 42.79 2yup s PHE 66 CO 0.19 -0.53 1.28 -1.25 -0.05 0.00 0.00 175.22 174.86 2yup s PRO 67 N -2.52 4.42 0.03 1.99 0.04 -1.26 -1.86 135.00 135.84 2yup s PRO 67 Ca 0.02 2.05 -0.26 0.00 0.04 0.00 0.00 61.00 62.85 2yup s PRO 67 Cb -0.01 -3.17 -0.17 0.00 0.04 0.00 0.00 34.50 31.20 2yup s PRO 67 CO -0.05 -0.17 1.40 0.00 0.04 0.00 0.00 177.00 178.22 2yup h ALA 68 N 4.70 -0.33 -1.18 8.56 0.00 -1.68 -2.78 119.26 126.55 2yup h ALA 68 Ca -0.46 -0.16 0.34 0.00 0.00 0.00 0.00 54.91 54.64 2yup h ALA 68 Cb 1.22 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 2yup h ALA 68 CO 0.73 -0.56 1.22 0.45 0.00 0.00 0.00 179.25 181.09 2yup n SER 69 N -5.13 0.00 0.09 0.00 2.88 -1.26 0.23 113.62 110.43 2yup n SER 69 Ca -0.09 0.78 -0.23 0.00 -1.33 0.00 0.00 58.87 58.00 2yup n SER 69 Cb 0.23 -0.30 -0.15 0.00 -0.75 0.00 0.00 64.21 63.24 2yup n SER 69 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 2yup h TYR 70 N 0.00 0.74 -1.31 0.66 -1.99 -1.90 -3.47 116.97 109.71 2yup h TYR 70 Ca 0.56 -0.54 -0.44 0.00 2.00 0.00 0.00 58.73 60.31 2yup h TYR 70 Cb 3.00 -0.03 0.02 0.00 2.00 0.00 0.00 36.73 41.72 2yup h TYR 70 CO 0.00 1.52 -0.23 0.14 -0.00 0.00 0.00 178.16 179.59 2yup s VAL 71 N -2.53 2.81 -0.19 -2.88 -7.23 0.64 -2.97 120.40 108.04 2yup s VAL 71 Ca -0.13 -1.01 -0.02 0.00 -1.81 0.00 0.00 61.98 59.00 2yup s VAL 71 Cb 0.04 -2.82 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 2yup s VAL 71 CO 0.87 0.00 -0.09 -1.58 -0.31 0.00 0.00 175.10 173.99 2yup s GLN 72 N -4.41 3.33 -0.37 4.82 2.00 0.47 -4.82 119.66 120.68 2yup s GLN 72 Ca 0.56 -0.67 -0.24 0.00 -2.00 0.00 0.00 55.36 53.01 2yup s GLN 72 Cb -0.09 -2.85 0.01 0.00 0.80 0.00 0.00 33.01 30.89 2yup s GLN 72 CO 0.34 -0.08 0.86 0.08 -0.50 0.00 0.00 175.29 175.98 2yup s VAL 73 N 1.13 4.65 -0.17 1.34 1.01 -1.26 -1.62 120.40 125.48 2yup s VAL 73 Ca 0.01 1.02 -0.00 0.00 0.00 0.00 0.00 61.98 63.01 2yup s VAL 73 Cb -0.14 -4.28 -0.22 0.00 0.00 0.00 0.00 36.38 31.73 2yup s VAL 73 CO -0.02 -0.50 0.14 -0.24 0.00 0.00 0.00 175.10 174.48 2yup n SER 74 N 6.61 1.85 -3.69 3.32 2.88 -0.71 -4.96 113.62 118.92 2yup n SER 74 Ca 0.05 0.08 -0.10 0.00 -1.33 0.00 0.00 58.87 57.57 2yup n SER 74 Cb 0.48 -0.52 -0.11 0.00 -0.75 0.00 0.00 64.21 63.31 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 -2.54 0.37 0.39 -1.46 3.52 -1.14 -4.97 118.95 113.12 2yup s ARG 75 Ca -0.25 0.79 -0.25 0.00 -0.13 0.00 0.00 55.73 55.88 2yup s ARG 75 Cb 0.08 -0.01 -0.09 0.00 -1.56 0.00 0.00 34.95 33.37 2yup s ARG 75 CO 0.71 -0.17 1.12 -1.21 -0.81 0.00 0.00 175.30 174.94 2yup s GLU 76 N 1.49 4.14 0.16 5.12 8.01 -1.26 -2.35 118.70 134.00 2yup s GLU 76 Ca -0.09 1.71 -0.31 0.00 0.01 0.00 0.00 54.97 56.30 2yup s GLU 76 Cb -0.09 -2.67 -0.08 0.00 -4.31 0.00 0.00 34.13 26.98 2yup s GLU 76 CO -0.12 -0.21 1.33 -1.25 0.01 0.00 0.00 175.26 175.01 2yup s PRO 77 N -2.29 4.37 -0.03 0.39 0.04 -1.26 -4.61 135.00 131.61 2yup s PRO 77 Ca 0.56 2.03 0.14 0.00 0.04 0.00 0.00 61.00 63.77 2yup s PRO 77 Cb -0.28 -3.23 -0.21 0.00 0.04 0.00 0.00 34.50 30.83 2yup s PRO 77 CO 0.35 -0.32 0.28 2.89 0.04 0.00 0.00 177.00 180.24 2yup n ARG 78 N 3.21 0.53 -4.19 4.56 0.00 -1.26 -4.92 116.66 114.60 2yup n ARG 78 Ca 0.08 -0.12 -0.38 0.00 -0.00 0.00 0.00 57.85 57.43 2yup n ARG 78 Cb 0.43 -1.33 -0.04 0.00 -0.00 0.00 0.00 32.46 31.52 2yup n ARG 78 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2yup n LEU 79 N -2.02 -0.52 0.17 2.89 4.32 -1.26 -4.81 117.00 115.77 2yup n LEU 79 Ca -0.04 -1.27 0.05 0.00 -0.02 0.00 0.00 56.01 54.73 2yup n LEU 79 Cb 0.40 -1.55 0.23 0.00 -1.62 0.00 0.00 43.42 40.89 2yup n LEU 79 CO 0.29 0.63 0.61 -0.09 -1.22 0.00 0.00 177.39 177.61 2yup h ARG 80 N -2.13 0.00 -1.67 3.23 2.43 -1.95 -3.25 114.38 111.05 2yup h ARG 80 Ca -0.67 0.00 0.49 0.00 -0.81 0.00 0.00 59.98 58.98 2yup h ARG 80 Cb 1.37 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.85 2yup h ARG 80 CO 0.60 0.41 1.34 1.47 -1.51 0.00 0.00 179.97 182.28 2yup n LEU 81 N -3.39 0.00 -3.91 3.80 -0.00 -1.26 -4.06 117.00 108.17 2yup n LEU 81 Ca 0.01 0.91 -0.18 0.00 -0.00 0.00 0.00 56.01 56.74 2yup n LEU 81 Cb 0.59 -0.42 -0.15 0.00 -0.00 0.00 0.00 43.42 43.44 2yup n LEU 81 CO 0.38 -0.91 -0.40 0.00 -0.00 0.00 0.00 177.39 176.46 2yup s ASP 83 N 0.46 4.73 -0.17 0.00 1.11 -1.26 -4.98 116.67 116.56 2yup s ASP 83 Ca -0.05 -0.36 -0.15 0.00 0.18 0.00 0.00 52.55 52.16 2yup s ASP 83 Cb -0.09 -1.00 -0.05 0.00 1.07 0.00 0.00 42.92 42.84 2yup s ASP 83 CO -0.00 0.12 -0.29 -0.67 1.18 0.00 0.00 175.17 175.50 2yup n ASP 84 N 0.15 1.90 -4.32 0.27 -0.08 -1.26 -4.99 116.55 108.21 2yup n ASP 84 Ca -0.11 0.43 -0.36 0.00 -1.51 0.00 0.00 54.79 53.24 2yup n ASP 84 Cb 0.54 -0.78 0.06 0.00 2.34 0.00 0.00 41.12 43.28 2yup n ASP 84 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2yup n SER 85 N -4.51 -2.75 0.00 1.67 7.64 -1.26 -4.92 113.62 109.49 2yup n SER 85 Ca -0.12 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.24 2yup n SER 85 Cb 0.44 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 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 2.15 -0.79 3.56 0.23 0.00 -1.26 -5.08 105.19 104.00 2yup n GLY 86 Ca 0.07 0.53 -0.39 0.00 0.00 0.00 0.00 46.02 46.22 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 0.43 2.75 -0.23 1.61 0.04 -1.26 -4.93 135.00 133.41 2yup s PRO 87 Ca 0.00 0.72 -0.19 0.00 0.04 0.00 0.00 61.00 61.57 2yup s PRO 87 Cb 0.00 -4.35 0.06 0.00 0.04 0.00 0.00 34.50 30.25 2yup s PRO 87 CO 0.00 -2.58 0.61 -1.54 0.04 0.00 0.00 177.00 173.52 2yup s SER 88 N 7.70 -0.68 -0.50 6.66 1.04 -1.26 -5.05 113.70 121.60 2yup s SER 88 Ca 0.68 1.25 0.03 0.00 0.48 0.00 0.00 55.95 58.39 2yup s SER 88 Cb -0.14 1.23 0.44 0.00 0.10 0.00 0.00 66.02 67.65 2yup s SER 88 CO 0.23 -0.22 1.57 -1.54 0.98 0.00 0.00 173.24 174.26 2yup n SER 89 N 3.18 6.17 0.00 7.02 3.41 -1.26 -5.28 113.62 126.85 2yup n SER 89 Ca -0.16 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.68 2yup n SER 89 Cb 0.56 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2yup n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49