#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 1.96 -4.97 1.61 2.88 -1.26 -5.02 113.62 108.82 2yup n SER 2 Ca 0.00 0.20 -0.19 0.00 -1.33 0.00 0.00 58.87 57.55 2yup n SER 2 Cb 0.00 -0.69 0.04 0.00 -0.75 0.00 0.00 64.21 62.80 2yup n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yup s SER 3 N -7.20 5.30 -0.01 -3.46 1.04 -1.26 -5.05 113.70 103.06 2yup s SER 3 Ca -0.37 -0.45 -0.23 0.00 0.48 0.00 0.00 55.95 55.38 2yup s SER 3 Cb 0.13 -0.38 -0.15 0.00 0.10 0.00 0.00 66.02 65.72 2yup s SER 3 CO 0.52 -1.11 1.06 1.23 0.98 0.00 0.00 173.24 175.91 2yup h GLY 4 N 0.28 -0.51 -3.08 7.32 0.00 -2.09 -3.44 103.07 101.56 2yup h GLY 4 Ca -0.37 0.19 -0.51 0.00 0.00 0.00 0.00 47.33 46.63 2yup h GLY 4 CO 0.45 -0.18 0.52 -0.45 0.00 0.00 0.00 176.54 176.87 2yup s SER 5 N -5.03 6.37 -0.30 0.19 0.15 -1.26 -5.03 113.70 108.80 2yup s SER 5 Ca -0.13 2.40 -0.16 0.00 0.70 0.00 0.00 55.95 58.76 2yup s SER 5 Cb 0.02 -2.62 0.18 0.00 -1.71 0.00 0.00 66.02 61.88 2yup s SER 5 CO 0.47 -0.78 1.10 -0.94 1.20 0.00 0.00 173.24 174.29 2yup s SER 6 N -1.11 -0.35 -0.04 5.45 1.04 -1.26 -4.97 113.70 112.46 2yup s SER 6 Ca 0.59 0.51 -0.01 0.00 0.48 0.00 0.00 55.95 57.51 2yup s SER 6 Cb -0.32 1.30 -0.00 0.00 0.10 0.00 0.00 66.02 67.09 2yup s SER 6 CO 0.40 -0.07 -0.03 1.23 0.98 0.00 0.00 173.24 175.74 2yup h GLY 7 N 6.59 0.00 -3.21 7.32 0.00 -2.01 -3.47 103.07 108.28 2yup h GLY 7 Ca -0.20 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.57 2yup h GLY 7 CO 0.14 0.00 0.44 0.58 0.00 0.00 0.00 176.54 177.69 2yup n LYS 8 N -2.88 1.62 -2.26 4.80 2.85 -1.26 -4.95 118.16 116.07 2yup n LYS 8 Ca -0.01 0.59 -0.36 0.00 -1.05 0.00 0.00 58.31 57.48 2yup n LYS 8 Cb 0.04 -2.39 -0.00 0.00 -0.65 0.00 0.00 35.03 32.03 2yup n LYS 8 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2yup s PRO 9 N -2.52 3.51 -0.59 -1.58 0.04 -1.26 -4.94 135.00 127.66 2yup s PRO 9 Ca 0.67 1.67 -0.27 0.00 0.04 0.00 0.00 61.00 63.12 2yup s PRO 9 Cb -0.46 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.90 2yup s PRO 9 CO 0.53 -0.73 1.85 -1.25 0.04 0.00 0.00 177.00 177.44 2yup s PRO 10 N -3.06 2.68 0.18 0.56 0.04 -1.26 -4.93 135.00 129.21 2yup s PRO 10 Ca 0.69 0.67 -0.15 0.00 0.04 0.00 0.00 61.00 62.26 2yup s PRO 10 Cb -0.26 -4.37 0.02 0.00 0.04 0.00 0.00 34.50 29.93 2yup s PRO 10 CO 0.30 -2.67 0.43 0.95 0.04 0.00 0.00 177.00 176.05 2yup s THR 11 N 8.91 0.04 -0.46 1.26 -4.23 -1.26 -5.13 115.64 114.78 2yup s THR 11 Ca 0.68 -0.96 -0.06 0.00 -1.18 0.00 0.00 61.69 60.17 2yup s THR 11 Cb -0.13 -1.62 0.12 0.00 1.34 0.00 0.00 72.50 72.20 2yup s THR 11 CO 0.22 -0.20 0.29 -0.47 -0.54 0.00 0.00 174.62 173.92 2yup s TYR 12 N -3.90 3.50 -0.07 3.99 5.04 -1.26 -4.86 117.35 119.79 2yup s TYR 12 Ca 0.11 -2.16 0.12 0.00 -2.44 0.00 0.00 57.07 52.70 2yup s TYR 12 Cb 0.01 -3.37 -0.17 0.00 0.35 0.00 0.00 41.96 38.78 2yup s TYR 12 CO -0.03 -0.98 0.14 0.94 -1.34 0.00 0.00 175.55 174.29 2yup n GLN 13 N 4.69 1.35 -0.49 4.97 -0.06 -1.26 -4.55 117.38 122.03 2yup n GLN 13 Ca -0.04 -0.05 0.39 0.00 -2.00 0.00 0.00 57.00 55.30 2yup n GLN 13 Cb 0.41 -1.30 0.64 0.00 -4.06 0.00 0.00 30.24 25.93 2yup n GLN 13 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 2yup n VAL 14 N -2.23 -0.15 -0.42 1.69 3.14 -1.26 -0.31 118.33 118.78 2yup n VAL 14 Ca -0.12 1.51 0.34 0.00 -2.96 0.00 0.00 64.34 63.11 2yup n VAL 14 Cb 0.65 -2.49 0.56 0.00 -1.06 0.00 0.00 33.84 31.50 2yup n VAL 14 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2yup n LEU 15 N -4.23 0.11 0.01 6.55 -0.00 -1.26 0.20 117.00 118.37 2yup n LEU 15 Ca 0.37 0.97 -0.13 0.00 -0.00 0.00 0.00 56.01 57.22 2yup n LEU 15 Cb 1.52 -0.48 -0.09 0.00 -0.00 0.00 0.00 43.42 44.37 2yup n LEU 15 CO 0.24 -1.03 0.71 -0.08 -0.00 0.00 0.00 177.39 177.22 2yup h GLU 16 N 0.00 -0.01 -6.96 1.47 4.22 -1.04 -3.45 114.58 108.82 2yup h GLU 16 Ca 0.69 0.00 -0.51 0.00 0.08 0.00 0.00 59.36 59.63 2yup h GLU 16 Cb 2.42 0.00 0.21 0.00 0.50 0.00 0.00 28.75 31.89 2yup h GLU 16 CO -0.25 0.32 -0.33 0.66 -2.18 0.00 0.00 179.01 177.23 2yup n TYR 17 N -4.94 -0.72 -2.09 0.92 4.01 0.52 -4.40 117.16 110.47 2yup n TYR 17 Ca -0.08 0.22 -0.30 0.00 -0.16 0.00 0.00 57.90 57.59 2yup n TYR 17 Cb 0.18 -1.81 0.01 0.00 -0.31 0.00 0.00 39.34 37.41 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 -2.23 1.61 -0.05 2.72 0.00 -0.93 -4.76 107.32 103.68 2yup s GLY 18 Ca 0.61 -0.22 0.02 0.00 0.00 0.00 0.00 44.72 45.13 2yup s GLY 18 CO 0.64 0.03 -0.09 1.85 0.00 0.00 0.00 173.10 175.53 2yup s GLU 19 N -5.06 1.28 0.07 2.90 2.12 0.92 -3.02 118.70 117.91 2yup s GLU 19 Ca 0.53 -0.27 -0.08 0.00 0.36 0.00 0.00 54.97 55.51 2yup s GLU 19 Cb -0.11 -1.12 -0.00 0.00 0.26 0.00 0.00 34.13 33.15 2yup s GLU 19 CO 0.51 -0.01 0.17 0.00 -0.54 0.00 0.00 175.26 175.39 2yup s ALA 20 N 0.73 -0.18 -0.09 6.30 0.00 -1.24 -1.85 121.76 125.43 2yup s ALA 20 Ca -0.13 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.24 2yup s ALA 20 Cb -0.15 0.42 0.02 0.00 0.00 0.00 0.00 23.12 23.41 2yup s ALA 20 CO 0.02 -0.46 -0.12 0.08 0.00 0.00 0.00 175.76 175.27 2yup s VAL 21 N -3.57 1.23 -0.08 0.00 1.01 0.36 -3.34 120.40 116.00 2yup s VAL 21 Ca 0.03 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 2yup s VAL 21 Cb 0.04 -1.15 -0.06 0.00 0.00 0.00 0.00 36.38 35.21 2yup s VAL 21 CO -0.09 0.39 1.84 0.00 0.00 0.00 0.00 175.10 177.23 2yup s ALA 22 N 0.94 3.40 -0.15 5.51 0.00 -1.09 0.89 121.76 131.26 2yup s ALA 22 Ca -0.09 0.95 0.02 0.00 0.00 0.00 0.00 51.96 52.84 2yup s ALA 22 Cb -0.15 -3.85 -0.23 0.00 0.00 0.00 0.00 23.12 18.89 2yup s ALA 22 CO 0.00 -1.78 0.25 1.04 0.00 0.00 0.00 175.76 175.28 2yup n GLN 23 N 7.62 0.70 -4.67 0.00 1.13 -0.83 -1.35 117.38 119.98 2yup n GLN 23 Ca 0.20 0.21 -0.23 0.00 -1.94 0.00 0.00 57.00 55.24 2yup n GLN 23 Cb 0.43 -1.66 -0.15 0.00 0.11 0.00 0.00 30.24 28.96 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 -2.55 1.37 -0.21 1.08 1.51 -0.62 -4.89 117.35 113.04 2yup s TYR 24 Ca -0.20 -0.32 -0.29 0.00 -1.01 0.00 0.00 57.07 55.25 2yup s TYR 24 Cb 0.07 -0.91 -0.04 0.00 -0.11 0.00 0.00 41.96 40.97 2yup s TYR 24 CO 0.75 -0.08 1.79 0.99 -1.11 0.00 0.00 175.55 177.88 2yup s THR 25 N -0.11 3.47 0.52 -0.71 2.01 -1.26 -4.70 115.64 114.86 2yup s THR 25 Ca 0.01 0.51 -0.01 0.00 0.31 0.00 0.00 61.69 62.52 2yup s THR 25 Cb -0.08 -3.51 0.01 0.00 0.01 0.00 0.00 72.50 68.94 2yup s THR 25 CO 0.01 -0.24 0.76 0.12 -0.69 0.00 0.00 174.62 174.58 2yup s PHE 26 N 5.94 3.09 -0.11 4.92 5.36 -1.21 -5.03 117.98 130.94 2yup s PHE 26 Ca 0.80 0.22 -0.05 0.00 -0.96 0.00 0.00 56.93 56.94 2yup s PHE 26 Cb -0.28 -2.57 0.05 0.00 -0.34 0.00 0.00 43.02 39.88 2yup s PHE 26 CO 0.32 -0.66 0.24 0.21 -1.46 0.00 0.00 175.22 173.87 2yup s LYS 27 N -4.73 0.17 -0.04 10.12 2.20 -1.26 -4.17 119.74 122.03 2yup s LYS 27 Ca 0.53 0.59 -0.17 0.00 -0.36 0.00 0.00 55.97 56.55 2yup s LYS 27 Cb -0.10 -0.11 0.03 0.00 -1.51 0.00 0.00 37.83 36.14 2yup s LYS 27 CO 0.39 -0.21 0.38 0.20 -0.36 0.00 0.00 175.35 175.76 2yup s GLY 28 N 1.67 -0.24 -0.14 5.54 0.00 -1.26 -4.98 107.32 107.91 2yup s GLY 28 Ca -0.05 0.60 0.03 0.00 0.00 0.00 0.00 44.72 45.29 2yup s GLY 28 CO -0.08 0.37 -0.10 1.22 0.00 0.00 0.00 173.10 174.51 2yup n ASP 29 N 1.43 2.75 -4.75 1.64 9.92 -1.26 -4.70 116.55 121.59 2yup n ASP 29 Ca -0.20 -0.07 -0.32 0.00 -0.53 0.00 0.00 54.79 53.67 2yup n ASP 29 Cb 0.56 -0.06 0.09 0.00 -0.64 0.00 0.00 41.12 41.07 2yup n ASP 29 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2yup s LEU 30 N -5.68 3.16 0.08 0.64 1.43 -1.26 -4.93 118.68 112.12 2yup s LEU 30 Ca -0.17 2.02 -0.33 0.00 -1.03 0.00 0.00 54.13 54.62 2yup s LEU 30 Cb 0.05 -4.55 -0.16 0.00 0.03 0.00 0.00 46.19 41.56 2yup s LEU 30 CO 0.36 -2.10 1.51 -0.08 0.23 0.00 0.00 176.35 176.27 2yup h GLU 31 N -0.73 -0.89 -1.12 1.70 4.81 -1.95 -1.85 114.58 114.55 2yup h GLU 31 Ca -0.45 0.06 0.31 0.00 -0.13 0.00 0.00 59.36 59.15 2yup h GLU 31 Cb 1.25 0.20 -0.08 0.00 0.63 0.00 0.00 28.75 30.75 2yup h GLU 31 CO 0.50 -0.59 0.75 -0.39 -0.73 0.00 0.00 179.01 178.55 2yup h VAL 32 N -0.93 0.45 -2.66 0.32 -1.51 -1.93 -3.34 116.25 106.65 2yup h VAL 32 Ca -0.06 -0.08 -0.57 0.00 -1.23 0.00 0.00 66.70 64.76 2yup h VAL 32 Cb 0.80 0.20 -0.10 0.00 -2.13 0.00 0.00 31.29 30.06 2yup h VAL 32 CO -0.06 0.04 0.85 -1.61 -1.23 0.00 0.00 177.57 175.56 2yup s GLU 33 N -5.28 3.23 -0.08 5.19 0.41 -0.69 0.28 118.70 121.77 2yup s GLU 33 Ca -0.07 -0.33 -0.14 0.00 -0.41 0.00 0.00 54.97 54.02 2yup s GLU 33 Cb 0.25 -4.15 -0.05 0.00 -1.78 0.00 0.00 34.13 28.40 2yup s GLU 33 CO 0.80 -1.91 0.34 -1.17 -0.49 0.00 0.00 175.26 172.84 2yup s LEU 34 N 4.96 4.37 0.09 1.80 2.96 -0.99 -4.37 118.68 127.50 2yup s LEU 34 Ca 0.32 0.75 0.01 0.00 -0.22 0.00 0.00 54.13 54.99 2yup s LEU 34 Cb -0.11 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 2yup s LEU 34 CO 0.16 0.24 0.22 -0.44 -1.32 0.00 0.00 176.35 175.21 2yup s SER 35 N -0.43 6.31 0.11 3.68 0.01 -1.26 -4.71 113.70 117.41 2yup s SER 35 Ca 0.21 0.23 -0.19 0.00 1.31 0.00 0.00 55.95 57.51 2yup s SER 35 Cb -0.15 -1.92 0.05 0.00 0.21 0.00 0.00 66.02 64.21 2yup s SER 35 CO 0.09 0.14 0.46 0.72 0.41 0.00 0.00 173.24 175.06 2yup s PHE 36 N -1.57 -0.32 -0.13 2.43 -0.12 -1.26 -4.97 117.98 112.04 2yup s PHE 36 Ca 0.35 0.10 -0.04 0.00 -0.05 0.00 0.00 56.93 57.29 2yup s PHE 36 Cb -0.12 0.33 -0.03 0.00 -0.63 0.00 0.00 43.02 42.57 2yup s PHE 36 CO 0.28 -0.71 0.00 1.03 -0.05 0.00 0.00 175.22 175.77 2yup s ARG 37 N -3.46 3.44 0.22 1.99 3.00 -1.26 -3.28 118.95 119.59 2yup s ARG 37 Ca 0.01 -0.43 -0.27 0.00 0.00 0.00 0.00 55.73 55.03 2yup s ARG 37 Cb 0.01 -2.93 -0.17 0.00 0.00 0.00 0.00 34.95 31.86 2yup s ARG 37 CO -0.10 0.45 0.51 1.17 0.00 0.00 0.00 175.30 177.33 2yup n LYS 38 N 2.92 0.05 0.00 3.54 4.81 -1.26 -0.95 118.16 127.28 2yup n LYS 38 Ca -0.18 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 2yup n LYS 38 Cb 0.53 -1.03 0.00 0.00 0.02 0.00 0.00 35.03 34.55 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 2.00 2.51 3.53 3.14 0.00 -0.45 -4.96 105.19 110.94 2yup n GLY 39 Ca 0.17 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.65 1.61 -0.58 -0.12 -4.63 120.64 113.88 2yup n GLU 40 Ca 0.00 0.24 -0.39 0.00 -0.42 0.00 0.00 57.16 56.59 2yup n GLU 40 Cb 0.00 -1.90 -0.10 0.00 -0.57 0.00 0.00 31.44 28.86 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 -1.68 3.37 -0.12 -0.32 3.76 -1.26 -2.68 115.29 116.37 2yup s HIS 41 Ca 0.71 -1.70 -0.25 0.00 -0.15 0.00 0.00 55.06 53.68 2yup s HIS 41 Cb -0.42 -2.96 -0.02 0.00 1.11 0.00 0.00 32.58 30.29 2yup s HIS 41 CO 0.52 -0.87 0.79 0.42 -0.85 0.00 0.00 174.74 174.74 2yup s ILE 42 N 1.37 4.95 -0.63 0.60 1.01 -1.21 -4.90 121.20 122.38 2yup s ILE 42 Ca 0.03 1.58 -0.24 0.00 0.00 0.00 0.00 60.65 62.01 2yup s ILE 42 Cb -0.23 -4.11 0.05 0.00 0.01 0.00 0.00 42.46 38.18 2yup s ILE 42 CO 0.01 0.12 1.04 0.00 0.00 0.00 0.00 174.94 176.11 2yup s LEU 44 N 4.43 4.07 -0.13 0.00 1.43 -1.17 -3.41 118.68 123.89 2yup s LEU 44 Ca 0.29 1.95 -0.10 0.00 -1.03 0.00 0.00 54.13 55.24 2yup s LEU 44 Cb -0.13 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 2yup s LEU 44 CO 0.15 -1.16 -0.19 -0.38 0.23 0.00 0.00 176.35 175.00 2yup n ILE 45 N 6.08 1.27 -3.62 -0.59 5.41 -1.14 -2.19 119.36 124.58 2yup n ILE 45 Ca 0.19 0.24 -0.29 0.00 1.00 0.00 0.00 62.75 63.89 2yup n ILE 45 Cb 0.44 -2.28 -0.12 0.00 -0.71 0.00 0.00 39.64 36.96 2yup n ILE 45 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2yup s ARG 46 N -2.22 1.08 -0.27 0.38 0.52 -1.26 -4.87 118.95 112.32 2yup s ARG 46 Ca -0.16 -1.86 -0.38 0.00 -0.52 0.00 0.00 55.73 52.81 2yup s ARG 46 Cb 0.02 -2.01 -0.14 0.00 0.52 0.00 0.00 34.95 33.35 2yup s ARG 46 CO 0.23 -1.20 1.88 1.17 0.02 0.00 0.00 175.30 177.40 2yup n LYS 47 N 3.59 1.29 -0.04 3.54 4.81 -1.26 -4.19 118.16 125.89 2yup n LYS 47 Ca 0.11 0.45 -0.13 0.00 -0.87 0.00 0.00 58.31 57.88 2yup n LYS 47 Cb 0.36 -2.26 -0.07 0.00 0.02 0.00 0.00 35.03 33.08 2yup n LYS 47 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2yup h VAL 48 N 5.73 1.32 -2.12 3.15 2.07 -1.90 -3.47 116.25 121.03 2yup h VAL 48 Ca -0.42 -1.06 0.23 0.00 0.82 0.00 0.00 66.70 66.27 2yup h VAL 48 Cb 1.31 1.79 -0.08 0.00 -1.52 0.00 0.00 31.29 32.80 2yup h VAL 48 CO 0.98 0.30 0.64 0.54 0.02 0.00 0.00 177.57 180.05 2yup s ASN 49 N -5.87 -0.08 0.07 0.57 2.20 -0.55 -4.97 114.94 106.31 2yup s ASN 49 Ca -0.15 -0.38 0.06 0.00 -0.94 0.00 0.00 52.86 51.45 2yup s ASN 49 Cb 0.05 0.37 0.30 0.00 -2.00 0.00 0.00 41.25 39.97 2yup s ASN 49 CO 0.72 -0.71 1.18 -1.84 -2.94 0.00 0.00 177.10 173.51 2yup n GLU 50 N -0.57 0.03 -0.01 3.55 0.28 -1.26 -3.28 120.64 119.38 2yup n GLU 50 Ca -0.05 0.52 -0.01 0.00 -0.16 0.00 0.00 57.16 57.45 2yup n GLU 50 Cb 0.61 -1.61 -0.00 0.00 1.43 0.00 0.00 31.44 31.87 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 -1.68 0.29 -4.79 -1.84 3.02 -1.26 -4.80 115.26 104.20 2yup n ASN 51 Ca -0.00 0.08 -0.38 0.00 -0.03 0.00 0.00 54.58 54.25 2yup n ASN 51 Cb 0.02 -0.54 -0.06 0.00 -0.61 0.00 0.00 39.78 38.59 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 -1.28 3.65 -0.10 3.10 0.52 -1.20 -0.04 118.94 123.58 2yup s TRP 52 Ca -0.04 0.96 0.03 0.00 0.02 0.00 0.00 56.10 57.07 2yup s TRP 52 Cb 0.01 -2.40 -0.01 0.00 -1.15 0.00 0.00 33.47 29.92 2yup s TRP 52 CO 0.06 0.45 -0.21 0.71 0.02 0.00 0.00 176.95 177.98 2yup s TYR 53 N -0.41 2.61 0.08 -1.98 2.02 0.73 -1.48 117.35 118.92 2yup s TYR 53 Ca 0.24 -0.86 -0.09 0.00 -0.37 0.00 0.00 57.07 55.99 2yup s TYR 53 Cb -0.16 -1.73 -0.06 0.00 -0.40 0.00 0.00 41.96 39.62 2yup s TYR 53 CO 0.12 -0.31 0.39 -2.00 -1.57 0.00 0.00 175.55 172.18 2yup s GLU 54 N 0.23 3.74 0.00 -0.62 2.12 -1.26 -1.66 118.70 121.25 2yup s GLU 54 Ca -0.13 0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.34 2yup s GLU 54 Cb -0.17 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.23 2yup s GLU 54 CO 0.07 0.56 0.00 0.41 -0.54 0.00 0.00 175.26 175.76 2yup n GLY 55 N 0.88 2.23 3.35 -1.50 0.00 -0.65 -2.89 105.19 106.61 2yup n GLY 55 Ca -0.08 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 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 1.55 1.05 -0.88 1.61 1.70 -1.22 -3.07 118.95 119.69 2yup s ARG 56 Ca 0.00 -0.47 -0.00 0.00 -0.47 0.00 0.00 55.73 54.79 2yup s ARG 56 Cb 0.00 0.47 0.25 0.00 -0.57 0.00 0.00 34.95 35.10 2yup s ARG 56 CO 0.00 -0.40 0.94 -0.89 -1.08 0.00 0.00 175.30 173.86 2yup n ILE 57 N 0.09 3.39 -1.53 4.99 2.08 -0.95 -3.70 119.36 123.73 2yup n ILE 57 Ca -0.17 -5.33 -0.55 0.00 0.56 0.00 0.00 62.75 57.26 2yup n ILE 57 Cb 0.62 -2.25 -0.07 0.00 -0.75 0.00 0.00 39.64 37.20 2yup n ILE 57 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 2yup n THR 58 N 1.73 0.24 0.00 1.39 5.66 -1.26 -1.89 114.28 120.14 2yup n THR 58 Ca 0.25 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 61.19 2yup n THR 58 Cb 0.37 -0.37 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 1.93 3.09 0.24 1.09 0.00 -1.26 -4.82 105.19 105.46 2yup n GLY 59 Ca 0.19 -1.04 -0.23 0.00 0.00 0.00 0.00 46.02 44.93 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 1.28 0.00 2.61 -2.24 -0.80 -5.05 114.28 110.09 2yup n THR 60 Ca 0.00 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2yup n THR 60 Cb 0.00 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 66.52 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 1.72 2.73 2.57 3.38 0.00 -1.13 -5.10 105.19 109.35 2yup n GLY 61 Ca -0.45 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 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 -3.64 1.61 1.74 -1.26 -4.66 116.66 110.44 2yup n ARG 62 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 2yup n ARG 62 Cb 0.00 -0.81 -0.07 0.00 -1.02 0.00 0.00 32.46 30.57 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 -1.00 0.47 0.00 5.56 0.74 -1.26 -2.25 119.66 121.92 2yup s GLN 63 Ca 0.43 0.61 0.00 0.00 0.05 0.00 0.00 55.36 56.44 2yup s GLN 63 Cb -0.34 0.21 0.00 0.00 1.10 0.00 0.00 33.01 33.98 2yup s GLN 63 CO 0.56 -0.06 0.00 0.41 -0.55 0.00 0.00 175.29 175.65 2yup n GLY 64 N 2.51 -0.57 3.84 2.59 0.00 -1.17 -4.69 105.19 107.69 2yup n GLY 64 Ca -0.14 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.52 2.61 0.02 -0.61 -4.36 0.14 -1.64 121.20 113.84 2yup s ILE 65 Ca 0.00 -1.45 -0.27 0.00 -0.26 0.00 0.00 60.65 58.67 2yup s ILE 65 Cb 0.00 -3.01 0.09 0.00 1.25 0.00 0.00 42.46 40.80 2yup s ILE 65 CO 0.00 -0.01 0.79 0.72 0.24 0.00 0.00 174.94 176.68 2yup s PHE 66 N -2.50 -0.44 0.18 1.37 -0.12 -0.66 -2.35 117.98 113.45 2yup s PHE 66 Ca 0.46 0.39 -0.30 0.00 -0.05 0.00 0.00 56.93 57.42 2yup s PHE 66 Cb -0.01 0.52 -0.08 0.00 -0.63 0.00 0.00 43.02 42.81 2yup s PHE 66 CO 0.26 -0.62 1.32 -1.25 -0.05 0.00 0.00 175.22 174.88 2yup s PRO 67 N -2.90 4.38 0.05 1.99 0.04 -1.26 -0.19 135.00 137.10 2yup s PRO 67 Ca 0.01 2.04 -0.27 0.00 0.04 0.00 0.00 61.00 62.83 2yup s PRO 67 Cb -0.01 -3.21 -0.17 0.00 0.04 0.00 0.00 34.50 31.15 2yup s PRO 67 CO -0.07 -0.28 1.49 0.00 0.04 0.00 0.00 177.00 178.18 2yup h ALA 68 N 5.69 -0.42 -0.99 8.56 0.00 -0.77 -2.57 119.26 128.77 2yup h ALA 68 Ca -0.44 -0.14 0.29 0.00 0.00 0.00 0.00 54.91 54.61 2yup h ALA 68 Cb 1.21 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 2yup h ALA 68 CO 0.79 -0.66 1.17 1.03 0.00 0.00 0.00 179.25 181.58 2yup h SER 69 N -0.57 0.00 0.16 0.00 0.87 -1.92 1.36 113.55 113.45 2yup h SER 69 Ca -0.04 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.27 2yup h SER 69 Cb 0.42 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.40 2yup h SER 69 CO 0.07 0.00 -1.15 1.88 -0.53 0.00 0.00 176.83 177.10 2yup h TYR 70 N 0.00 0.63 -1.46 2.24 -1.99 -1.83 -3.47 116.97 111.09 2yup h TYR 70 Ca 0.47 -0.46 -0.43 0.00 2.00 0.00 0.00 58.73 60.31 2yup h TYR 70 Cb 2.80 -0.03 0.03 0.00 2.00 0.00 0.00 36.73 41.54 2yup h TYR 70 CO 0.00 1.45 -0.20 0.14 -0.00 0.00 0.00 178.16 179.54 2yup s VAL 71 N -2.48 2.80 -0.19 -2.88 -7.23 0.47 -1.59 120.40 109.29 2yup s VAL 71 Ca -0.14 -0.96 -0.03 0.00 -1.81 0.00 0.00 61.98 59.05 2yup s VAL 71 Cb 0.03 -2.85 -0.01 0.00 0.56 0.00 0.00 36.38 34.11 2yup s VAL 71 CO 0.84 0.00 -0.08 -1.58 -0.31 0.00 0.00 175.10 173.98 2yup s GLN 72 N -4.46 3.38 -0.21 4.82 2.00 0.26 -4.75 119.66 120.69 2yup s GLN 72 Ca 0.57 -0.65 -0.18 0.00 -2.00 0.00 0.00 55.36 53.10 2yup s GLN 72 Cb -0.09 -2.88 -0.03 0.00 0.80 0.00 0.00 33.01 30.81 2yup s GLN 72 CO 0.35 -0.06 0.51 0.08 -0.50 0.00 0.00 175.29 175.67 2yup s VAL 73 N 1.10 5.11 -0.01 1.34 1.01 -1.26 -0.49 120.40 127.19 2yup s VAL 73 Ca 0.01 0.93 -0.00 0.00 0.00 0.00 0.00 61.98 62.91 2yup s VAL 73 Cb -0.15 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 2yup s VAL 73 CO -0.01 0.17 -0.01 -1.20 0.00 0.00 0.00 175.10 174.05 2yup n SER 74 N 4.83 3.08 -3.70 3.32 7.64 -0.81 -4.97 113.62 122.99 2yup n SER 74 Ca -0.05 -0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.53 2yup n SER 74 Cb 0.50 -0.03 -0.15 0.00 -1.01 0.00 0.00 64.21 63.53 2yup n SER 74 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2yup s ARG 75 N -2.03 0.64 0.43 1.43 3.52 -0.77 -4.97 118.95 117.20 2yup s ARG 75 Ca -0.02 -1.00 -0.25 0.00 -0.13 0.00 0.00 55.73 54.33 2yup s ARG 75 Cb 0.01 -1.86 -0.08 0.00 -1.56 0.00 0.00 34.95 31.45 2yup s ARG 75 CO 0.03 -1.00 1.25 -1.21 -0.81 0.00 0.00 175.30 173.57 2yup s GLU 76 N 1.68 3.85 0.09 5.12 2.02 -1.26 -0.06 118.70 130.14 2yup s GLU 76 Ca 0.10 2.02 -0.02 0.00 0.02 0.00 0.00 54.97 57.09 2yup s GLU 76 Cb -0.17 -2.61 0.02 0.00 0.10 0.00 0.00 34.13 31.47 2yup s GLU 76 CO -0.27 -0.54 0.08 -0.35 0.02 0.00 0.00 175.26 174.20 2yup n PRO 77 N -0.14 -1.19 -3.24 0.39 -0.04 -1.26 -4.68 135.00 124.84 2yup n PRO 77 Ca 0.05 -0.13 -0.03 0.00 -0.04 0.00 0.00 63.50 63.36 2yup n PRO 77 Cb 0.45 -0.12 -0.04 0.00 -0.04 0.00 0.00 33.50 33.75 2yup n PRO 77 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2yup s ARG 78 N -3.19 0.47 -0.17 0.54 3.00 -1.26 -4.96 118.95 113.38 2yup s ARG 78 Ca 0.05 0.62 0.17 0.00 -1.00 0.00 0.00 55.73 55.57 2yup s ARG 78 Cb -0.01 0.02 0.44 0.00 0.00 0.00 0.00 34.95 35.40 2yup s ARG 78 CO 0.04 -0.78 1.32 1.28 0.00 0.00 0.00 175.30 177.16 2yup n LEU 79 N 5.39 3.32 -3.06 -0.88 7.99 -1.26 -4.97 117.00 123.53 2yup n LEU 79 Ca -0.01 -3.09 -0.14 0.00 -0.01 0.00 0.00 56.01 52.77 2yup n LEU 79 Cb 0.51 -0.51 0.07 0.00 -0.11 0.00 0.00 43.42 43.38 2yup n LEU 79 CO 0.01 0.72 0.08 0.54 -1.51 0.00 0.00 177.39 177.23 2yup n ARG 80 N -0.88 -4.65 0.04 3.23 5.12 -1.26 -4.97 116.66 113.29 2yup n ARG 80 Ca 0.20 0.73 -0.08 0.00 -1.93 0.00 0.00 57.85 56.77 2yup n ARG 80 Cb 0.80 -5.34 -0.06 0.00 -1.16 0.00 0.00 32.46 26.71 2yup n ARG 80 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2yup h LEU 81 N -1.43 -0.18 -9.07 0.55 4.07 -1.99 -3.48 115.31 103.78 2yup h LEU 81 Ca -0.51 -0.26 -0.43 0.00 0.08 0.00 0.00 57.88 56.76 2yup h LEU 81 Cb 1.28 0.05 -0.14 0.00 1.08 0.00 0.00 40.66 42.93 2yup h LEU 81 CO 0.41 0.39 -0.57 0.00 -1.08 0.00 0.00 178.44 177.59 2yup s ASP 83 N -3.42 3.80 0.55 0.00 -4.77 -1.26 -5.12 116.67 106.45 2yup s ASP 83 Ca 0.34 -2.40 -0.20 0.00 -3.30 0.00 0.00 52.55 47.00 2yup s ASP 83 Cb 0.06 -1.04 -0.06 0.00 -1.09 0.00 0.00 42.92 40.79 2yup s ASP 83 CO 0.16 -0.30 1.15 -1.81 0.70 0.00 0.00 175.17 175.07 2yup s ASP 84 N 0.64 5.65 -0.51 2.11 1.11 -1.26 -4.97 116.67 119.44 2yup s ASP 84 Ca 0.16 2.24 -0.24 0.00 0.18 0.00 0.00 52.55 54.88 2yup s ASP 84 Cb -0.23 -2.59 0.04 0.00 1.07 0.00 0.00 42.92 41.21 2yup s ASP 84 CO -0.05 -1.27 0.89 -0.44 1.18 0.00 0.00 175.17 175.48 2yup s SER 85 N -1.69 6.37 -0.80 0.27 0.01 -1.26 -4.44 113.70 112.16 2yup s SER 85 Ca 0.73 -0.26 -0.00 0.00 1.31 0.00 0.00 55.95 57.73 2yup s SER 85 Cb -0.26 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2yup s SER 85 CO 0.29 -1.12 0.63 0.61 0.41 0.00 0.00 173.24 174.06 2yup n GLY 86 N 5.06 -1.29 0.13 3.44 0.00 -1.26 -4.91 105.19 106.36 2yup n GLY 86 Ca 0.02 0.56 -0.13 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.03 0.33 -2.96 1.61 0.13 -2.00 -3.46 132.00 125.61 2yup h PRO 87 Ca -0.43 -0.18 -0.12 0.00 -0.87 0.00 0.00 66.00 64.40 2yup h PRO 87 Cb 1.27 0.01 -0.21 0.00 0.13 0.00 0.00 31.00 32.19 2yup h PRO 87 CO 0.35 0.72 -0.27 -1.54 -0.23 0.00 0.00 178.00 177.02 2yup s SER 88 N -6.10 -0.26 0.01 1.44 1.04 -1.26 -5.06 113.70 103.52 2yup s SER 88 Ca -0.14 0.30 -0.19 0.00 0.48 0.00 0.00 55.95 56.40 2yup s SER 88 Cb 0.05 0.45 -0.24 0.00 0.10 0.00 0.00 66.02 66.38 2yup s SER 88 CO 0.75 -0.35 1.11 0.28 0.98 0.00 0.00 173.24 176.01 2yup h SER 89 N 4.40 0.58 0.00 7.02 0.02 -2.03 -3.54 113.55 120.00 2yup h SER 89 Ca -0.29 -0.76 0.00 0.00 -0.84 0.00 0.00 61.79 59.90 2yup h SER 89 Cb 1.18 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.54 2yup h SER 89 CO 0.36 1.27 0.00 0.61 -1.14 0.00 0.00 176.83 177.93