#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 3.86 0.05 1.61 1.04 -1.26 -5.16 113.70 113.85 2yup s SER 2 Ca 0.00 -1.20 0.02 0.00 0.48 0.00 0.00 55.95 55.25 2yup s SER 2 Cb 0.00 -0.39 -0.03 0.00 0.10 0.00 0.00 66.02 65.70 2yup s SER 2 CO 0.00 -0.28 -0.08 -0.94 0.98 0.00 0.00 173.24 172.92 2yup s SER 3 N -3.66 0.86 -0.01 7.02 1.04 -1.26 -5.16 113.70 112.53 2yup s SER 3 Ca 0.34 -0.59 0.08 0.00 0.48 0.00 0.00 55.95 56.26 2yup s SER 3 Cb 0.04 0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.18 2yup s SER 3 CO 0.18 -0.23 -0.25 -0.83 0.98 0.00 0.00 173.24 173.09 2yup s GLY 4 N -1.71 1.33 -0.26 7.32 0.00 -1.26 -5.11 107.32 107.64 2yup s GLY 4 Ca -0.08 -1.13 -0.01 0.00 0.00 0.00 0.00 44.72 43.49 2yup s GLY 4 CO -0.00 -0.96 0.42 -1.35 0.00 0.00 0.00 173.10 171.21 2yup s SER 5 N -0.76 -0.00 0.27 1.64 1.04 -1.26 -5.15 113.70 109.48 2yup s SER 5 Ca 0.11 0.19 -0.16 0.00 0.48 0.00 0.00 55.95 56.58 2yup s SER 5 Cb -0.10 1.28 -0.08 0.00 0.10 0.00 0.00 66.02 67.22 2yup s SER 5 CO -0.00 -0.31 0.70 -0.55 0.98 0.00 0.00 173.24 174.06 2yup s SER 6 N 2.60 6.84 0.00 7.02 0.15 -1.26 -4.90 113.70 124.15 2yup s SER 6 Ca 0.13 1.26 0.00 0.00 0.70 0.00 0.00 55.95 58.04 2yup s SER 6 Cb -0.15 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2yup s SER 6 CO -0.20 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.75 2yup n GLY 7 N 0.05 -0.31 3.50 9.45 0.00 -1.26 -5.17 105.19 111.45 2yup n GLY 7 Ca 0.01 0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 1.85 0.52 1.61 3.01 -1.26 -5.12 119.74 120.34 2yup s LYS 8 Ca 0.00 -1.14 -0.21 0.00 -1.01 0.00 0.00 55.97 53.61 2yup s LYS 8 Cb 0.00 -2.14 -0.06 0.00 -1.01 0.00 0.00 37.83 34.61 2yup s LYS 8 CO 0.00 0.49 1.14 -1.25 0.51 0.00 0.00 175.35 176.24 2yup s PRO 9 N -2.08 3.49 1.12 -1.68 0.04 -1.26 -5.04 135.00 129.59 2yup s PRO 9 Ca 0.18 1.66 -0.16 0.00 0.04 0.00 0.00 61.00 62.72 2yup s PRO 9 Cb -0.11 -2.13 0.25 0.00 0.04 0.00 0.00 34.50 32.55 2yup s PRO 9 CO 0.10 -0.75 1.10 -1.25 0.04 0.00 0.00 177.00 176.24 2yup s PRO 10 N -3.10 -0.58 0.00 0.56 0.04 -1.26 -5.04 135.00 125.63 2yup s PRO 10 Ca 0.70 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.91 2yup s PRO 10 Cb -0.25 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2yup s PRO 10 CO 0.29 -3.33 0.00 0.25 0.04 0.00 0.00 177.00 174.25 2yup n THR 11 N -4.53 0.01 -3.23 1.26 -2.24 -1.26 -5.09 114.28 99.19 2yup n THR 11 Ca 0.10 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.92 2yup n THR 11 Cb 0.59 -1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 67.54 2yup n THR 11 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2yup s TYR 12 N -2.00 -0.54 -0.10 4.78 1.13 -1.26 -5.13 117.35 114.23 2yup s TYR 12 Ca 0.00 0.73 -0.38 0.00 -1.41 0.00 0.00 57.07 56.00 2yup s TYR 12 Cb 0.00 0.25 -0.16 0.00 -1.10 0.00 0.00 41.96 40.95 2yup s TYR 12 CO 0.00 -0.28 1.54 0.00 -2.51 0.00 0.00 175.55 174.30 2yup n GLN 13 N 5.19 1.15 -1.23 -3.49 10.64 -1.26 -4.72 117.38 123.66 2yup n GLN 13 Ca -0.07 0.42 -0.28 0.00 -1.83 0.00 0.00 57.00 55.23 2yup n GLN 13 Cb 0.54 -2.08 -0.11 0.00 -0.86 0.00 0.00 30.24 27.72 2yup n GLN 13 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 2yup n VAL 14 N 3.56 0.33 -1.07 -0.39 0.24 -1.26 -4.69 118.33 115.05 2yup n VAL 14 Ca 0.22 -0.32 -0.21 0.00 -2.04 0.00 0.00 64.34 62.00 2yup n VAL 14 Cb 0.16 -2.04 0.02 0.00 -1.47 0.00 0.00 33.84 30.51 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 14.79 6.61 -4.57 1.34 -0.00 -1.26 -4.88 117.00 129.02 2yup n LEU 15 Ca 0.44 -3.57 -0.26 0.00 -0.00 0.00 0.00 56.01 52.62 2yup n LEU 15 Cb 0.45 -1.09 -0.06 0.00 -0.00 0.00 0.00 43.42 42.72 2yup n LEU 15 CO 0.84 1.36 1.40 -1.61 -0.00 0.00 0.00 177.39 179.38 2yup s GLU 16 N -2.02 2.36 0.25 1.47 0.41 -1.26 -4.84 118.70 115.07 2yup s GLU 16 Ca 0.40 -0.71 -0.12 0.00 -0.41 0.00 0.00 54.97 54.14 2yup s GLU 16 Cb 0.30 -5.13 -0.01 0.00 -1.78 0.00 0.00 34.13 27.51 2yup s GLU 16 CO -0.05 -3.92 0.46 0.71 -0.49 0.00 0.00 175.26 171.97 2yup s TYR 17 N 11.39 0.44 0.61 1.61 1.51 -1.26 -5.07 117.35 126.58 2yup s TYR 17 Ca 0.71 -0.79 -0.13 0.00 -1.01 0.00 0.00 57.07 55.85 2yup s TYR 17 Cb -0.04 0.14 -0.04 0.00 -0.11 0.00 0.00 41.96 41.92 2yup s TYR 17 CO 0.08 -0.99 1.03 0.20 -1.11 0.00 0.00 175.55 174.76 2yup s GLY 18 N -3.04 1.85 -0.08 0.71 0.00 -0.63 -4.91 107.32 101.22 2yup s GLY 18 Ca 0.24 0.11 0.04 0.00 0.00 0.00 0.00 44.72 45.11 2yup s GLY 18 CO 0.10 0.40 -0.21 1.85 0.00 0.00 0.00 173.10 175.23 2yup s GLU 19 N -4.66 2.80 0.24 2.90 2.12 -0.85 -2.34 118.70 118.91 2yup s GLU 19 Ca 0.58 -0.83 -0.02 0.00 0.36 0.00 0.00 54.97 55.06 2yup s GLU 19 Cb -0.12 -2.31 -0.03 0.00 0.26 0.00 0.00 34.13 31.93 2yup s GLU 19 CO 0.45 0.34 0.25 0.00 -0.54 0.00 0.00 175.26 175.77 2yup s ALA 20 N -0.05 0.96 -0.08 6.30 0.00 -1.24 -0.96 121.76 126.70 2yup s ALA 20 Ca -0.06 -1.58 -0.04 0.00 0.00 0.00 0.00 51.96 50.29 2yup s ALA 20 Cb -0.15 1.32 0.04 0.00 0.00 0.00 0.00 23.12 24.33 2yup s ALA 20 CO 0.05 -0.67 0.17 0.08 0.00 0.00 0.00 175.76 175.39 2yup s VAL 21 N -3.92 -0.04 -0.47 0.00 1.01 0.18 -3.95 120.40 113.21 2yup s VAL 21 Ca 0.35 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.21 2yup s VAL 21 Cb 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 36.13 2yup s VAL 21 CO 0.15 0.07 1.69 0.00 0.00 0.00 0.00 175.10 177.01 2yup s ALA 22 N 1.12 2.67 -0.08 5.51 0.00 -1.16 -0.26 121.76 129.56 2yup s ALA 22 Ca -0.09 -0.24 -0.18 0.00 0.00 0.00 0.00 51.96 51.45 2yup s ALA 22 Cb -0.11 -4.11 -0.29 0.00 0.00 0.00 0.00 23.12 18.61 2yup s ALA 22 CO -0.06 -3.04 0.71 1.96 0.00 0.00 0.00 175.76 175.33 2yup h GLN 23 N 12.89 0.28 -6.04 0.00 1.08 -1.67 0.14 115.11 121.79 2yup h GLN 23 Ca -0.29 -0.47 -0.56 0.00 -1.45 0.00 0.00 58.65 55.87 2yup h GLN 23 Cb 1.14 0.18 -0.25 0.00 -0.05 0.00 0.00 27.48 28.51 2yup h GLN 23 CO 1.12 1.23 -0.83 0.71 -0.95 0.00 0.00 178.83 180.11 2yup s TYR 24 N -2.46 1.75 -0.19 2.96 1.51 0.23 -4.82 117.35 116.33 2yup s TYR 24 Ca -0.17 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.21 2yup s TYR 24 Cb 0.03 -1.02 -0.02 0.00 -0.11 0.00 0.00 41.96 40.84 2yup s TYR 24 CO 0.80 0.12 1.36 0.99 -1.11 0.00 0.00 175.55 177.71 2yup s THR 25 N -0.91 4.09 0.30 -0.71 2.01 -1.26 -4.62 115.64 114.55 2yup s THR 25 Ca 0.07 1.29 -0.05 0.00 0.31 0.00 0.00 61.69 63.31 2yup s THR 25 Cb -0.09 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 2yup s THR 25 CO 0.02 -0.22 0.58 0.12 -0.69 0.00 0.00 174.62 174.43 2yup s PHE 26 N 3.96 3.48 -0.21 4.92 5.36 -1.23 -5.03 117.98 129.22 2yup s PHE 26 Ca 0.59 0.67 -0.02 0.00 -0.96 0.00 0.00 56.93 57.22 2yup s PHE 26 Cb -0.22 -2.13 0.01 0.00 -0.34 0.00 0.00 43.02 40.34 2yup s PHE 26 CO 0.20 0.14 -0.10 0.21 -1.46 0.00 0.00 175.22 174.21 2yup s LYS 27 N -3.62 3.10 0.00 10.12 2.20 -1.26 -4.32 119.74 125.95 2yup s LYS 27 Ca 0.44 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 55.26 2yup s LYS 27 Cb -0.11 -2.86 0.00 0.00 -1.51 0.00 0.00 37.83 33.36 2yup s LYS 27 CO 0.30 -0.26 0.00 0.41 -0.36 0.00 0.00 175.35 175.45 2yup n GLY 28 N 4.70 2.11 0.00 5.54 0.00 -1.24 -4.97 105.19 111.32 2yup n GLY 28 Ca -0.19 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2yup n GLY 28 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2yup n ASP 29 N 0.00 3.07 -4.01 1.61 2.03 -1.09 -3.53 116.55 114.63 2yup n ASP 29 Ca 0.00 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.01 2yup n ASP 29 Cb 0.00 0.24 0.10 0.00 -0.72 0.00 0.00 41.12 40.73 2yup n ASP 29 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2yup n LEU 30 N -1.65 -2.41 -0.12 -2.67 4.77 -1.26 -4.65 117.00 109.00 2yup n LEU 30 Ca 0.00 -0.11 -0.10 0.00 -0.03 0.00 0.00 56.01 55.77 2yup n LEU 30 Cb 0.32 -0.70 -0.02 0.00 -2.33 0.00 0.00 43.42 40.70 2yup n LEU 30 CO 0.00 -2.77 0.87 1.05 -1.33 0.00 0.00 177.39 175.21 2yup h GLU 31 N -1.75 0.58 0.00 3.23 4.11 -1.98 -2.84 114.58 115.92 2yup h GLU 31 Ca -0.38 -0.13 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2yup h GLU 31 Cb 1.15 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2yup h GLU 31 CO 0.24 0.60 -0.54 1.33 0.07 0.00 0.00 179.01 180.72 2yup n VAL 32 N -4.62 0.20 -0.96 -1.06 0.24 -1.26 -3.76 118.33 107.11 2yup n VAL 32 Ca -0.01 -0.15 -0.19 0.00 -2.04 0.00 0.00 64.34 61.95 2yup n VAL 32 Cb 0.18 -0.01 0.17 0.00 -1.47 0.00 0.00 33.84 32.71 2yup n VAL 32 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2yup n GLU 33 N -1.84 2.29 -1.44 7.34 -0.58 -1.08 -3.93 120.64 121.38 2yup n GLU 33 Ca 0.04 -2.68 -0.42 0.00 -0.42 0.00 0.00 57.16 53.69 2yup n GLU 33 Cb 0.39 -2.06 0.01 0.00 -0.57 0.00 0.00 31.44 29.21 2yup n GLU 33 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2yup n LEU 34 N -0.85 -0.22 -4.65 -4.62 7.94 -1.15 -2.69 117.00 110.77 2yup n LEU 34 Ca 0.51 0.90 -0.27 0.00 -1.11 0.00 0.00 56.01 56.04 2yup n LEU 34 Cb 1.51 -1.10 -0.10 0.00 0.53 0.00 0.00 43.42 44.27 2yup n LEU 34 CO 0.52 -2.98 -0.26 -0.44 -1.11 0.00 0.00 177.39 173.13 2yup s SER 35 N -0.95 4.00 -0.10 1.96 0.01 -1.23 -4.68 113.70 112.70 2yup s SER 35 Ca 0.63 -1.30 -0.31 0.00 1.31 0.00 0.00 55.95 56.29 2yup s SER 35 Cb -0.61 -0.42 0.10 0.00 0.21 0.00 0.00 66.02 65.30 2yup s SER 35 CO 0.58 -0.46 0.82 0.72 0.41 0.00 0.00 173.24 175.31 2yup s PHE 36 N -2.68 -0.53 -0.18 2.43 -0.12 -1.26 -5.02 117.98 110.62 2yup s PHE 36 Ca 0.36 0.92 -0.18 0.00 -0.05 0.00 0.00 56.93 57.99 2yup s PHE 36 Cb 0.08 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 2yup s PHE 36 CO 0.19 -0.49 0.47 1.03 -0.05 0.00 0.00 175.22 176.37 2yup s ARG 37 N -1.13 4.23 0.14 1.99 0.52 -1.26 -3.57 118.95 119.88 2yup s ARG 37 Ca -0.07 0.36 -0.32 0.00 -0.52 0.00 0.00 55.73 55.18 2yup s ARG 37 Cb -0.00 -3.52 -0.18 0.00 0.52 0.00 0.00 34.95 31.77 2yup s ARG 37 CO 0.06 -0.03 0.77 1.17 0.02 0.00 0.00 175.30 177.30 2yup n LYS 38 N 4.37 0.19 0.00 3.54 4.81 -1.26 -1.08 118.16 128.73 2yup n LYS 38 Ca -0.06 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2yup n LYS 38 Cb 0.51 -1.29 0.00 0.00 0.02 0.00 0.00 35.03 34.27 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 1.81 2.97 3.58 3.14 0.00 0.49 -4.97 105.19 112.22 2yup n GLY 39 Ca 0.18 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.54 -4.44 1.61 -0.58 -0.24 -4.69 120.64 111.76 2yup n GLU 40 Ca 0.00 -0.10 -0.34 0.00 -0.42 0.00 0.00 57.16 56.30 2yup n GLU 40 Cb 0.00 -2.20 -0.11 0.00 -0.57 0.00 0.00 31.44 28.56 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 -2.55 3.05 -0.07 -0.32 3.76 -1.26 -3.01 115.29 114.89 2yup s HIS 41 Ca 0.64 -0.05 0.05 0.00 -0.15 0.00 0.00 55.06 55.55 2yup s HIS 41 Cb -0.22 -1.84 -0.00 0.00 1.11 0.00 0.00 32.58 31.62 2yup s HIS 41 CO 0.61 0.22 -0.23 0.42 -0.85 0.00 0.00 174.74 174.92 2yup s ILE 42 N -0.34 1.91 -0.62 0.60 1.01 -1.25 -4.78 121.20 117.73 2yup s ILE 42 Ca 0.06 -0.97 -0.22 0.00 0.00 0.00 0.00 60.65 59.52 2yup s ILE 42 Cb -0.12 -1.64 0.06 0.00 0.01 0.00 0.00 42.46 40.78 2yup s ILE 42 CO 0.02 0.53 0.93 0.00 0.00 0.00 0.00 174.94 176.42 2yup s LEU 44 N 3.89 3.46 0.00 0.00 1.43 -0.99 -3.04 118.68 123.42 2yup s LEU 44 Ca 0.23 1.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 2yup s LEU 44 Cb -0.16 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 42.77 2yup s LEU 44 CO 0.12 -1.93 0.11 -0.38 0.23 0.00 0.00 176.35 174.50 2yup n ILE 45 N 7.47 0.00 -3.90 -0.59 5.41 -0.96 -1.61 119.36 125.18 2yup n ILE 45 Ca 0.24 0.52 -0.30 0.00 1.00 0.00 0.00 62.75 64.21 2yup n ILE 45 Cb 0.48 -1.34 -0.16 0.00 -0.71 0.00 0.00 39.64 37.91 2yup n ILE 45 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2yup s ARG 46 N -1.01 1.46 -0.28 0.38 3.52 -1.25 -4.77 118.95 117.01 2yup s ARG 46 Ca 0.00 -0.85 -0.28 0.00 -0.13 0.00 0.00 55.73 54.47 2yup s ARG 46 Cb 0.00 -2.46 -0.04 0.00 -1.56 0.00 0.00 34.95 30.89 2yup s ARG 46 CO 0.00 -0.59 2.13 0.21 -0.81 0.00 0.00 175.30 176.25 2yup s LYS 47 N 1.49 3.07 0.00 5.12 2.20 -1.26 -3.93 119.74 126.44 2yup s LYS 47 Ca -0.04 1.80 -0.25 0.00 -0.36 0.00 0.00 55.97 57.12 2yup s LYS 47 Cb -0.18 -4.35 -0.19 0.00 -1.51 0.00 0.00 37.83 31.60 2yup s LYS 47 CO -0.07 -2.17 1.37 0.28 -0.36 0.00 0.00 175.35 174.40 2yup h VAL 48 N 7.12 1.26 -2.30 4.02 2.07 -1.90 -3.48 116.25 123.04 2yup h VAL 48 Ca -0.37 -0.86 0.12 0.00 0.82 0.00 0.00 66.70 66.41 2yup h VAL 48 Cb 1.22 1.84 -0.14 0.00 -1.52 0.00 0.00 31.29 32.69 2yup h VAL 48 CO 1.00 0.22 0.49 0.54 0.02 0.00 0.00 177.57 179.84 2yup s ASN 49 N -5.55 -0.34 0.08 0.57 2.20 -0.12 -4.96 114.94 106.82 2yup s ASN 49 Ca -0.15 -0.05 0.05 0.00 -0.94 0.00 0.00 52.86 51.77 2yup s ASN 49 Cb 0.03 0.40 0.30 0.00 -2.00 0.00 0.00 41.25 39.98 2yup s ASN 49 CO 0.66 -0.66 1.16 -1.84 -2.94 0.00 0.00 177.10 173.48 2yup n GLU 50 N -0.28 0.04 -0.12 3.55 0.00 -1.26 -1.69 120.64 120.87 2yup n GLU 50 Ca -0.09 0.53 -0.20 0.00 0.00 0.00 0.00 57.16 57.40 2yup n GLU 50 Cb 0.62 -1.63 -0.12 0.00 0.00 0.00 0.00 31.44 30.31 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 -1.68 1.99 -4.23 -1.84 5.03 -1.26 -4.73 115.26 108.54 2yup n ASN 51 Ca -0.00 -0.04 -0.32 0.00 0.87 0.00 0.00 54.58 55.09 2yup n ASN 51 Cb 0.02 -0.51 -0.17 0.00 -1.02 0.00 0.00 39.78 38.10 2yup n ASN 51 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2yup s TRP 52 N -2.52 2.54 -0.09 3.10 0.52 -0.68 -0.05 118.94 121.76 2yup s TRP 52 Ca -0.35 -1.01 0.02 0.00 0.02 0.00 0.00 56.10 54.78 2yup s TRP 52 Cb 0.10 -1.69 -0.02 0.00 -1.15 0.00 0.00 33.47 30.70 2yup s TRP 52 CO 0.60 -0.39 -0.13 0.71 0.02 0.00 0.00 176.95 177.75 2yup s TYR 53 N 0.28 2.76 -0.15 -1.98 2.02 0.79 -0.95 117.35 120.11 2yup s TYR 53 Ca -0.17 -0.37 -0.07 0.00 -0.37 0.00 0.00 57.07 56.10 2yup s TYR 53 Cb -0.17 -1.73 -0.04 0.00 -0.40 0.00 0.00 41.96 39.61 2yup s TYR 53 CO 0.08 0.02 0.08 -2.00 -1.57 0.00 0.00 175.55 172.15 2yup s GLU 54 N -0.25 3.72 0.00 -0.62 2.12 -1.25 -1.04 118.70 121.38 2yup s GLU 54 Ca 0.01 -0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.05 2yup s GLU 54 Cb -0.13 -3.16 0.00 0.00 0.26 0.00 0.00 34.13 31.10 2yup s GLU 54 CO 0.03 0.46 0.00 0.41 -0.54 0.00 0.00 175.26 175.62 2yup n GLY 55 N 2.95 3.87 3.33 -1.50 0.00 -0.59 -2.26 105.19 110.99 2yup n GLY 55 Ca -0.18 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 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 1.54 0.91 -0.84 1.61 1.70 -1.17 -2.76 118.95 119.94 2yup s ARG 56 Ca 0.00 -0.28 -0.01 0.00 -0.47 0.00 0.00 55.73 54.97 2yup s ARG 56 Cb 0.00 0.41 0.21 0.00 -0.57 0.00 0.00 34.95 35.00 2yup s ARG 56 CO 0.00 -0.31 0.71 0.42 -1.08 0.00 0.00 175.30 175.04 2yup s ILE 57 N -2.24 4.10 0.89 4.99 -1.09 0.03 -3.23 121.20 124.65 2yup s ILE 57 Ca -0.07 -3.82 -0.16 0.00 -2.23 0.00 0.00 60.65 54.37 2yup s ILE 57 Cb -0.01 -3.57 -0.08 0.00 -1.58 0.00 0.00 42.46 37.22 2yup s ILE 57 CO -0.01 -1.05 -0.20 1.07 -1.23 0.00 0.00 174.94 173.52 2yup n THR 58 N 2.41 0.26 0.00 2.92 5.66 -1.26 -2.06 114.28 122.20 2yup n THR 58 Ca 0.20 -0.40 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 2yup n THR 58 Cb 0.37 -0.28 0.00 0.00 -1.55 0.00 0.00 70.33 68.87 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 2.56 1.84 0.31 1.09 0.00 -1.26 -4.55 105.19 105.18 2yup n GLY 59 Ca 0.03 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 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 1.15 0.00 2.61 -2.24 -0.97 -5.05 114.28 109.78 2yup n THR 60 Ca 0.00 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2yup n THR 60 Cb 0.00 -1.68 0.00 0.00 -2.10 0.00 0.00 70.33 66.55 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 1.84 1.23 3.18 3.38 0.00 -0.87 -5.10 105.19 108.86 2yup n GLY 61 Ca -0.40 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 2yup n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yup n ARG 62 N 0.00 0.00 -3.58 1.61 1.74 -1.26 -4.64 116.66 110.54 2yup n ARG 62 Ca 0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 2yup n ARG 62 Cb 0.00 -0.96 -0.05 0.00 -1.02 0.00 0.00 32.46 30.44 2yup n ARG 62 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2yup s GLN 63 N -0.96 0.49 0.00 5.56 0.74 -1.26 -0.79 119.66 123.45 2yup s GLN 63 Ca 0.58 1.09 0.00 0.00 0.05 0.00 0.00 55.36 57.08 2yup s GLN 63 Cb -0.70 0.49 0.00 0.00 1.10 0.00 0.00 33.01 33.91 2yup s GLN 63 CO 0.58 -0.14 0.00 0.41 -0.55 0.00 0.00 175.29 175.59 2yup n GLY 64 N 4.83 1.03 3.95 2.59 0.00 -1.11 -4.88 105.19 111.60 2yup n GLY 64 Ca -0.14 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.17 3.74 0.09 -0.61 -4.36 -1.25 -1.54 121.20 115.11 2yup s ILE 65 Ca 0.00 -1.11 -0.25 0.00 -0.26 0.00 0.00 60.65 59.03 2yup s ILE 65 Cb 0.00 -3.29 0.08 0.00 1.25 0.00 0.00 42.46 40.50 2yup s ILE 65 CO 0.00 -0.13 0.69 0.72 0.24 0.00 0.00 174.94 176.45 2yup s PHE 66 N -2.24 -0.50 0.22 1.37 -0.71 -0.21 -3.29 117.98 112.63 2yup s PHE 66 Ca 0.45 0.37 -0.30 0.00 -1.04 0.00 0.00 56.93 56.41 2yup s PHE 66 Cb -0.08 0.54 -0.09 0.00 -1.21 0.00 0.00 43.02 42.18 2yup s PHE 66 CO 0.30 -0.74 1.29 -1.25 -1.34 0.00 0.00 175.22 173.48 2yup s PRO 67 N -3.33 4.41 0.00 1.99 0.04 -1.26 -0.15 135.00 136.69 2yup s PRO 67 Ca 0.01 2.05 0.17 0.00 0.04 0.00 0.00 61.00 63.27 2yup s PRO 67 Cb -0.01 -3.18 0.77 0.00 0.04 0.00 0.00 34.50 32.12 2yup s PRO 67 CO -0.10 -0.21 1.54 0.00 0.04 0.00 0.00 177.00 178.27 2yup n ALA 68 N 2.30 1.83 1.81 8.56 0.00 0.93 -2.31 120.51 133.62 2yup n ALA 68 Ca 0.05 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.54 2yup n ALA 68 Cb 0.43 -1.28 0.64 0.00 0.00 0.00 0.00 19.45 19.24 2yup n ALA 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2yup n SER 69 N -1.44 0.47 -0.00 0.00 2.88 -1.26 -3.47 113.62 110.79 2yup n SER 69 Ca 0.05 -1.35 0.00 0.00 -1.33 0.00 0.00 58.87 56.24 2yup n SER 69 Cb 0.18 -0.02 -0.01 0.00 -0.75 0.00 0.00 64.21 63.62 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 -0.55 0.00 -4.44 0.66 4.02 -0.98 -4.89 117.16 110.99 2yup n TYR 70 Ca 0.18 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.84 2yup n TYR 70 Cb 0.16 -0.04 -0.10 0.00 -0.02 0.00 0.00 39.34 39.34 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 -2.05 2.31 -0.15 -0.72 -7.23 -1.23 -0.60 120.40 110.73 2yup s VAL 71 Ca -0.00 -2.32 0.02 0.00 -1.81 0.00 0.00 61.98 57.86 2yup s VAL 71 Cb 0.01 -2.22 0.01 0.00 0.56 0.00 0.00 36.38 34.74 2yup s VAL 71 CO 0.04 -0.41 -0.20 -1.58 -0.31 0.00 0.00 175.10 172.65 2yup s GLN 72 N -3.42 2.83 -0.21 4.82 0.74 0.64 -4.76 119.66 120.29 2yup s GLN 72 Ca 0.27 -0.78 -0.14 0.00 0.05 0.00 0.00 55.36 54.77 2yup s GLN 72 Cb -0.05 -2.37 -0.04 0.00 1.10 0.00 0.00 33.01 31.65 2yup s GLN 72 CO 0.13 -0.10 0.31 0.54 -0.55 0.00 0.00 175.29 175.61 2yup s VAL 73 N 1.05 5.26 -0.14 1.34 0.11 -1.26 0.49 120.40 127.25 2yup s VAL 73 Ca -0.02 0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 59.54 2yup s VAL 73 Cb -0.14 -3.64 -0.24 0.00 -1.53 0.00 0.00 36.38 30.82 2yup s VAL 73 CO -0.06 0.30 0.28 -0.24 -3.33 0.00 0.00 175.10 172.04 2yup n SER 74 N 4.31 1.81 -3.64 3.54 2.88 -0.14 -4.77 113.62 117.62 2yup n SER 74 Ca -0.11 0.16 -0.29 0.00 -1.33 0.00 0.00 58.87 57.30 2yup n SER 74 Cb 0.51 -0.57 -0.13 0.00 -0.75 0.00 0.00 64.21 63.28 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 -2.55 0.95 0.48 -1.46 3.52 -1.09 -4.99 118.95 113.80 2yup s ARG 75 Ca -0.22 -1.62 -0.24 0.00 -0.13 0.00 0.00 55.73 53.53 2yup s ARG 75 Cb 0.07 -1.95 -0.07 0.00 -1.56 0.00 0.00 34.95 31.43 2yup s ARG 75 CO 0.75 -1.14 1.35 0.39 -0.81 0.00 0.00 175.30 175.83 2yup n GLU 76 N 3.95 1.93 -1.83 5.12 4.71 -1.26 -2.00 120.64 131.26 2yup n GLU 76 Ca 0.07 0.70 -0.33 0.00 -0.01 0.00 0.00 57.16 57.59 2yup n GLU 76 Cb 0.37 -2.53 0.04 0.00 -1.01 0.00 0.00 31.44 28.31 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 -2.54 2.88 -0.44 3.49 0.04 -1.26 -4.85 135.00 132.33 2yup s PRO 77 Ca 0.65 1.42 -0.18 0.00 0.04 0.00 0.00 61.00 62.94 2yup s PRO 77 Cb -0.45 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.16 2yup s PRO 77 CO 0.55 -1.19 0.47 0.50 0.04 0.00 0.00 177.00 177.37 2yup s ARG 78 N -3.97 3.09 -0.43 4.56 3.00 -1.26 -4.93 118.95 119.01 2yup s ARG 78 Ca 0.68 -0.82 0.04 0.00 -1.00 0.00 0.00 55.73 54.63 2yup s ARG 78 Cb -0.21 -4.00 0.45 0.00 0.00 0.00 0.00 34.95 31.19 2yup s ARG 78 CO 0.39 -0.93 1.46 1.28 0.00 0.00 0.00 175.30 177.50 2yup n LEU 79 N 5.67 5.82 -3.93 -0.88 7.99 -1.26 -4.92 117.00 125.50 2yup n LEU 79 Ca -0.07 -4.65 -0.32 0.00 -0.01 0.00 0.00 56.01 50.95 2yup n LEU 79 Cb 0.47 -0.56 -0.06 0.00 -0.11 0.00 0.00 43.42 43.16 2yup n LEU 79 CO 0.48 1.92 -0.12 -2.11 -1.51 0.00 0.00 177.39 176.05 2yup n ARG 80 N -0.75 -1.09 0.07 3.23 1.85 -1.26 -4.78 116.66 113.93 2yup n ARG 80 Ca 0.50 0.10 -0.11 0.00 -1.00 0.00 0.00 57.85 57.34 2yup n ARG 80 Cb 0.83 -4.24 -0.05 0.00 -1.05 0.00 0.00 32.46 27.95 2yup n ARG 80 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 2yup h LEU 81 N -0.65 -0.41 -9.14 2.89 3.38 -1.96 -3.40 115.31 106.02 2yup h LEU 81 Ca -0.45 0.06 -0.56 0.00 0.09 0.00 0.00 57.88 57.01 2yup h LEU 81 Cb 1.20 0.17 0.01 0.00 0.09 0.00 0.00 40.66 42.12 2yup h LEU 81 CO 0.67 -0.20 1.36 0.00 0.09 0.00 0.00 178.44 180.36 2yup h ASP 83 N 12.88 0.43 -3.61 0.00 3.32 -2.00 -3.40 116.42 124.04 2yup h ASP 83 Ca -0.44 0.10 -0.42 0.00 0.02 0.00 0.00 57.03 56.28 2yup h ASP 83 Cb 1.23 0.04 -0.32 0.00 0.22 0.00 0.00 39.33 40.49 2yup h ASP 83 CO 0.96 0.18 -0.78 1.51 -1.72 0.00 0.00 179.24 179.38 2yup s ASP 84 N -5.40 1.09 -0.16 6.45 -4.77 -1.26 -5.14 116.67 107.49 2yup s ASP 84 Ca -0.12 -0.17 -0.04 0.00 -3.30 0.00 0.00 52.55 48.92 2yup s ASP 84 Cb 0.21 -0.42 -0.03 0.00 -1.09 0.00 0.00 42.92 41.59 2yup s ASP 84 CO 0.77 0.01 -0.02 -0.44 0.70 0.00 0.00 175.17 176.19 2yup s SER 85 N 0.55 4.88 0.00 2.11 0.01 -1.26 -4.89 113.70 115.10 2yup s SER 85 Ca -0.08 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2yup s SER 85 Cb -0.12 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.31 2yup s SER 85 CO 0.01 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.42 2yup n GLY 86 N 3.64 -2.21 0.20 3.44 0.00 -1.26 -4.97 105.19 104.03 2yup n GLY 86 Ca -0.17 0.77 0.06 0.00 0.00 0.00 0.00 46.02 46.67 2yup n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yup h PRO 87 N 0.00 0.00 -6.53 1.61 0.13 -2.08 -3.46 132.00 121.67 2yup h PRO 87 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 2yup h PRO 87 Cb 0.00 0.00 0.21 0.00 0.13 0.00 0.00 31.00 31.34 2yup h PRO 87 CO 0.00 0.34 -0.83 0.43 -0.23 0.00 0.00 178.00 177.71 2yup n SER 88 N -3.70 -2.75 -4.41 1.44 7.64 -1.26 -4.82 113.62 105.76 2yup n SER 88 Ca -0.01 0.40 -0.39 0.00 1.01 0.00 0.00 58.87 59.88 2yup n SER 88 Cb 0.44 -1.09 0.02 0.00 -1.01 0.00 0.00 64.21 62.57 2yup n SER 88 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2yup n SER 89 N 0.26 -1.64 -0.69 6.43 3.41 -1.26 -5.15 113.62 114.98 2yup n SER 89 Ca 0.06 0.77 0.13 0.00 -0.26 0.00 0.00 58.87 59.57 2yup n SER 89 Cb 0.53 -1.07 0.34 0.00 -0.26 0.00 0.00 64.21 63.74 2yup n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49