#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 0.83 0.47 1.61 0.15 -1.26 -5.16 113.70 110.35 2yup s SER 2 Ca 0.00 -0.18 0.05 0.00 0.70 0.00 0.00 55.95 56.53 2yup s SER 2 Cb 0.00 -0.08 0.02 0.00 -1.71 0.00 0.00 66.02 64.25 2yup s SER 2 CO 0.00 0.05 0.65 -0.94 1.20 0.00 0.00 173.24 174.20 2yup s SER 3 N -0.34 5.51 -0.22 5.45 1.04 -1.26 -5.05 113.70 118.83 2yup s SER 3 Ca 0.01 -0.26 -0.29 0.00 0.48 0.00 0.00 55.95 55.89 2yup s SER 3 Cb -0.04 -0.74 0.00 0.00 0.10 0.00 0.00 66.02 65.34 2yup s SER 3 CO -0.00 -0.91 1.13 -0.83 0.98 0.00 0.00 173.24 173.61 2yup s GLY 4 N -4.38 1.65 -0.07 7.32 0.00 -1.26 -4.94 107.32 105.64 2yup s GLY 4 Ca 0.56 0.26 -0.02 0.00 0.00 0.00 0.00 44.72 45.51 2yup s GLY 4 CO 0.35 2.32 0.11 1.76 0.00 0.00 0.00 173.10 177.64 2yup h SER 5 N 7.85 -0.07 -4.27 1.64 0.02 -2.07 -3.46 113.55 113.18 2yup h SER 5 Ca -0.22 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.24 2yup h SER 5 Cb 1.08 0.02 0.04 0.00 0.14 0.00 0.00 62.40 63.68 2yup h SER 5 CO 0.98 0.34 0.39 -0.44 -1.14 0.00 0.00 176.83 176.97 2yup s SER 6 N -5.03 6.38 0.00 3.07 0.01 -1.26 -5.09 113.70 111.79 2yup s SER 6 Ca -0.01 1.46 0.00 0.00 1.31 0.00 0.00 55.95 58.71 2yup s SER 6 Cb 0.00 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2yup s SER 6 CO 0.04 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.54 2yup n GLY 7 N -2.28 5.63 3.76 3.44 0.00 -1.26 -5.14 105.19 109.33 2yup n GLY 7 Ca 0.06 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 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 1.85 3.05 0.98 1.61 -2.85 -1.26 -5.11 119.74 118.00 2yup s LYS 8 Ca 0.00 -0.45 -0.12 0.00 -1.00 0.00 0.00 55.97 54.39 2yup s LYS 8 Cb 0.00 -2.85 0.18 0.00 -2.06 0.00 0.00 37.83 33.09 2yup s LYS 8 CO 0.00 0.67 1.09 -1.25 0.10 0.00 0.00 175.35 175.96 2yup s PRO 9 N -1.49 0.59 -1.10 1.78 0.04 -1.26 -4.89 135.00 128.68 2yup s PRO 9 Ca 0.20 0.57 -0.23 0.00 0.04 0.00 0.00 61.00 61.58 2yup s PRO 9 Cb -0.12 -1.75 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 2yup s PRO 9 CO 0.10 -2.64 1.94 -1.25 0.04 0.00 0.00 177.00 175.20 2yup s PRO 10 N -4.96 2.51 0.12 0.56 0.04 -1.26 -4.90 135.00 127.10 2yup s PRO 10 Ca 0.65 -0.90 0.04 0.00 0.04 0.00 0.00 61.00 60.84 2yup s PRO 10 Cb -0.18 -5.19 -0.04 0.00 0.04 0.00 0.00 34.50 29.13 2yup s PRO 10 CO 0.57 -3.81 -0.11 0.95 0.04 0.00 0.00 177.00 174.65 2yup s THR 11 N 10.77 1.08 -0.46 1.26 -4.23 -1.26 -5.11 115.64 117.69 2yup s THR 11 Ca 0.69 -1.81 -0.25 0.00 -1.18 0.00 0.00 61.69 59.14 2yup s THR 11 Cb -0.03 -1.57 0.03 0.00 1.34 0.00 0.00 72.50 72.27 2yup s THR 11 CO 0.09 -0.61 0.91 -0.47 -0.54 0.00 0.00 174.62 174.00 2yup s TYR 12 N -2.73 2.93 -0.46 3.99 5.04 -1.26 -4.83 117.35 120.03 2yup s TYR 12 Ca 0.10 0.36 0.08 0.00 -2.44 0.00 0.00 57.07 55.17 2yup s TYR 12 Cb -0.01 -3.93 -0.07 0.00 0.35 0.00 0.00 41.96 38.30 2yup s TYR 12 CO 0.01 -1.08 0.39 0.94 -1.34 0.00 0.00 175.55 174.46 2yup n GLN 13 N 7.10 3.89 -3.39 4.97 -0.06 -1.26 -4.77 117.38 123.86 2yup n GLN 13 Ca 0.06 -0.13 -0.36 0.00 -2.00 0.00 0.00 57.00 54.57 2yup n GLN 13 Cb 0.48 -0.91 -0.05 0.00 -4.06 0.00 0.00 30.24 25.71 2yup n GLN 13 CO 0.00 0.00 0.00 1.33 -0.20 0.00 0.00 177.06 178.19 2yup n VAL 14 N -0.97 3.57 -4.53 1.69 0.24 -1.26 -5.04 118.33 112.03 2yup n VAL 14 Ca 0.02 -5.39 -0.29 0.00 -2.04 0.00 0.00 64.34 56.64 2yup n VAL 14 Cb 0.13 -2.23 -0.08 0.00 -1.47 0.00 0.00 33.84 30.19 2yup n VAL 14 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 2yup s LEU 15 N -2.08 2.71 -0.29 1.34 -0.00 -1.26 -5.03 118.68 114.06 2yup s LEU 15 Ca 0.32 -1.41 0.02 0.00 -0.00 0.00 0.00 54.13 53.06 2yup s LEU 15 Cb 0.02 -0.96 0.40 0.00 -0.00 0.00 0.00 46.19 45.65 2yup s LEU 15 CO -0.03 -0.65 1.62 -0.62 -0.00 0.00 0.00 176.35 176.67 2yup n GLU 16 N -1.18 1.81 -4.25 1.48 4.71 -1.26 -4.88 120.64 117.07 2yup n GLU 16 Ca -0.09 -1.89 -0.21 0.00 -0.01 0.00 0.00 57.16 54.96 2yup n GLU 16 Cb 0.66 -1.74 -0.12 0.00 -1.01 0.00 0.00 31.44 29.23 2yup n GLU 16 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 2yup s TYR 17 N -2.09 1.48 0.22 -0.32 1.51 -1.26 -4.73 117.35 112.17 2yup s TYR 17 Ca 0.36 -0.43 -0.13 0.00 -1.01 0.00 0.00 57.07 55.86 2yup s TYR 17 Cb 0.30 -0.83 -0.08 0.00 -0.11 0.00 0.00 41.96 41.25 2yup s TYR 17 CO 0.06 0.12 0.59 0.20 -1.11 0.00 0.00 175.55 175.42 2yup s GLY 18 N -1.76 2.36 -0.14 0.71 0.00 -0.48 -4.81 107.32 103.20 2yup s GLY 18 Ca 0.02 -0.15 -0.08 0.00 0.00 0.00 0.00 44.72 44.52 2yup s GLY 18 CO 0.03 0.06 0.13 1.85 0.00 0.00 0.00 173.10 175.17 2yup s GLU 19 N -2.54 3.61 -0.24 2.90 2.56 -0.35 -0.97 118.70 123.66 2yup s GLU 19 Ca 0.45 -0.17 -0.19 0.00 0.00 0.00 0.00 54.97 55.07 2yup s GLU 19 Cb -0.12 -3.23 0.07 0.00 2.00 0.00 0.00 34.13 32.84 2yup s GLU 19 CO 0.20 0.66 0.62 0.00 -0.56 0.00 0.00 175.26 176.18 2yup s ALA 20 N -0.68 -1.60 0.02 6.30 0.00 -1.24 -1.96 121.76 122.61 2yup s ALA 20 Ca 0.13 1.95 0.02 0.00 0.00 0.00 0.00 51.96 54.06 2yup s ALA 20 Cb -0.12 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 2yup s ALA 20 CO 0.02 -0.32 0.00 0.08 0.00 0.00 0.00 175.76 175.55 2yup s VAL 21 N 0.86 4.15 -0.07 0.00 1.01 0.17 -2.84 120.40 123.68 2yup s VAL 21 Ca -0.04 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 2yup s VAL 21 Cb -0.05 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 2yup s VAL 21 CO -0.07 0.32 1.20 0.00 0.00 0.00 0.00 175.10 176.55 2yup s ALA 22 N -1.14 3.51 -0.26 5.51 0.00 -1.14 -0.27 121.76 127.97 2yup s ALA 22 Ca 0.21 0.60 -0.03 0.00 0.00 0.00 0.00 51.96 52.74 2yup s ALA 22 Cb -0.12 -3.52 -0.16 0.00 0.00 0.00 0.00 23.12 19.32 2yup s ALA 22 CO 0.12 -0.80 -0.25 1.04 0.00 0.00 0.00 175.76 175.87 2yup n GLN 23 N 5.33 0.64 -4.70 0.00 1.13 -1.19 -1.73 117.38 116.85 2yup n GLN 23 Ca 0.11 0.19 -0.24 0.00 -1.94 0.00 0.00 57.00 55.12 2yup n GLN 23 Cb 0.46 -1.52 -0.16 0.00 0.11 0.00 0.00 30.24 29.14 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 1.44 0.11 1.08 1.51 -1.06 -4.79 117.35 113.11 2yup s TYR 24 Ca -0.36 -0.35 -0.31 0.00 -1.01 0.00 0.00 57.07 55.04 2yup s TYR 24 Cb 0.11 -0.96 -0.09 0.00 -0.11 0.00 0.00 41.96 40.90 2yup s TYR 24 CO 0.57 -0.10 1.72 0.99 -1.11 0.00 0.00 175.55 177.62 2yup s THR 25 N -0.08 2.74 0.18 -0.71 2.01 -1.26 -4.55 115.64 113.97 2yup s THR 25 Ca -0.00 0.28 0.07 0.00 0.31 0.00 0.00 61.69 62.35 2yup s THR 25 Cb -0.09 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 2yup s THR 25 CO 0.01 0.00 0.02 0.12 -0.69 0.00 0.00 174.62 174.08 2yup s PHE 26 N 2.45 2.87 -0.06 4.92 5.36 -0.60 -4.99 117.98 127.93 2yup s PHE 26 Ca 0.76 -0.13 -0.01 0.00 -0.96 0.00 0.00 56.93 56.59 2yup s PHE 26 Cb -0.43 -1.38 0.03 0.00 -0.34 0.00 0.00 43.02 40.90 2yup s PHE 26 CO 0.34 0.52 -0.00 0.21 -1.46 0.00 0.00 175.22 174.83 2yup s LYS 27 N -3.02 0.59 -0.01 10.12 2.20 -1.26 -3.52 119.74 124.84 2yup s LYS 27 Ca 0.28 0.09 -0.01 0.00 -0.36 0.00 0.00 55.97 55.97 2yup s LYS 27 Cb -0.09 -0.91 0.01 0.00 -1.51 0.00 0.00 37.83 35.33 2yup s LYS 27 CO 0.19 -0.26 0.04 0.20 -0.36 0.00 0.00 175.35 175.16 2yup s GLY 28 N 1.78 -0.02 -0.27 5.54 0.00 -1.26 -4.99 107.32 108.10 2yup s GLY 28 Ca 0.02 0.12 -0.07 0.00 0.00 0.00 0.00 44.72 44.79 2yup s GLY 28 CO -0.04 0.13 -0.30 1.22 0.00 0.00 0.00 173.10 174.11 2yup n ASP 29 N 3.13 1.97 -4.59 1.64 9.92 -1.26 -4.59 116.55 122.78 2yup n ASP 29 Ca -0.13 0.13 -0.37 0.00 -0.53 0.00 0.00 54.79 53.89 2yup n ASP 29 Cb 0.59 -0.64 0.07 0.00 -0.64 0.00 0.00 41.12 40.50 2yup n ASP 29 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2yup n LEU 30 N -3.82 3.13 -0.31 0.64 4.77 -1.26 -4.85 117.00 115.30 2yup n LEU 30 Ca -0.51 0.72 0.02 0.00 -0.03 0.00 0.00 56.01 56.21 2yup n LEU 30 Cb 0.93 -1.36 0.21 0.00 -2.33 0.00 0.00 43.42 40.87 2yup n LEU 30 CO 0.13 -2.16 1.26 -0.08 -1.33 0.00 0.00 177.39 175.21 2yup h GLU 31 N 0.09 1.09 0.00 3.23 4.81 -1.97 0.52 114.58 122.35 2yup h GLU 31 Ca -0.48 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2yup h GLU 31 Cb 1.36 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2yup h GLU 31 CO 0.48 0.72 0.00 1.33 -0.73 0.00 0.00 179.01 180.81 2yup n VAL 32 N -4.46 0.49 -3.38 0.32 0.24 -1.26 -4.38 118.33 105.90 2yup n VAL 32 Ca 0.13 0.07 -0.46 0.00 -2.04 0.00 0.00 64.34 62.04 2yup n VAL 32 Cb 0.13 -0.74 -0.03 0.00 -1.47 0.00 0.00 33.84 31.72 2yup n VAL 32 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2yup s GLU 33 N -3.05 3.46 0.31 7.34 0.41 0.17 -1.22 118.70 126.12 2yup s GLU 33 Ca 0.10 -2.47 -0.27 0.00 -0.41 0.00 0.00 54.97 51.92 2yup s GLU 33 Cb 0.14 -4.33 -0.09 0.00 -1.78 0.00 0.00 34.13 28.06 2yup s GLU 33 CO 0.44 -1.27 1.01 -1.17 -0.49 0.00 0.00 175.26 173.77 2yup s LEU 34 N 0.14 4.41 -0.04 1.80 2.96 -1.02 -4.11 118.68 122.82 2yup s LEU 34 Ca 0.18 2.02 0.00 0.00 -0.22 0.00 0.00 54.13 56.11 2yup s LEU 34 Cb -0.12 -3.88 -0.03 0.00 0.50 0.00 0.00 46.19 42.66 2yup s LEU 34 CO -0.08 -0.14 -0.00 -0.44 -1.32 0.00 0.00 176.35 174.36 2yup s SER 35 N -1.33 5.13 0.01 3.68 0.01 -1.26 -4.52 113.70 115.41 2yup s SER 35 Ca 0.49 0.05 -0.18 0.00 1.31 0.00 0.00 55.95 57.61 2yup s SER 35 Cb -0.24 -1.37 0.03 0.00 0.21 0.00 0.00 66.02 64.65 2yup s SER 35 CO 0.31 0.32 0.39 0.72 0.41 0.00 0.00 173.24 175.39 2yup s PHE 36 N -0.99 -0.26 -0.06 2.43 -0.12 -1.23 -5.01 117.98 112.73 2yup s PHE 36 Ca 0.17 0.33 -0.00 0.00 -0.05 0.00 0.00 56.93 57.38 2yup s PHE 36 Cb -0.11 0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 42.42 2yup s PHE 36 CO 0.07 -0.49 -0.03 1.03 -0.05 0.00 0.00 175.22 175.75 2yup s ARG 37 N -1.81 2.85 0.33 1.99 3.00 -1.26 -1.55 118.95 122.49 2yup s ARG 37 Ca -0.10 -0.50 -0.25 0.00 0.00 0.00 0.00 55.73 54.89 2yup s ARG 37 Cb -0.03 -2.69 -0.15 0.00 0.00 0.00 0.00 34.95 32.09 2yup s ARG 37 CO 0.02 0.68 0.47 1.17 0.00 0.00 0.00 175.30 177.64 2yup n LYS 38 N 2.06 0.33 0.00 3.54 4.81 -1.26 -1.71 118.16 125.92 2yup n LYS 38 Ca -0.18 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 2yup n LYS 38 Cb 0.53 -1.25 0.00 0.00 0.02 0.00 0.00 35.03 34.33 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 1.93 2.64 3.41 3.14 0.00 -0.70 -4.95 105.19 110.66 2yup n GLY 39 Ca 0.13 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 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 0.10 -3.69 1.61 -0.58 -0.69 -4.63 120.64 112.75 2yup n GLU 40 Ca 0.00 0.07 -0.39 0.00 -0.42 0.00 0.00 57.16 56.43 2yup n GLU 40 Cb 0.00 -1.74 -0.11 0.00 -0.57 0.00 0.00 31.44 29.02 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 -2.06 3.34 -0.16 -0.32 3.76 -1.26 -2.89 115.29 115.70 2yup s HIS 41 Ca 0.61 -1.63 -0.18 0.00 -0.15 0.00 0.00 55.06 53.71 2yup s HIS 41 Cb -0.30 -2.73 -0.04 0.00 1.11 0.00 0.00 32.58 30.62 2yup s HIS 41 CO 0.63 -0.82 0.46 0.42 -0.85 0.00 0.00 174.74 174.58 2yup s ILE 42 N 1.37 5.17 -0.31 0.60 1.01 -1.13 -4.75 121.20 123.16 2yup s ILE 42 Ca 0.02 0.88 -0.21 0.00 0.00 0.00 0.00 60.65 61.33 2yup s ILE 42 Cb -0.22 -3.80 -0.00 0.00 0.01 0.00 0.00 42.46 38.45 2yup s ILE 42 CO 0.01 0.27 0.68 0.00 0.00 0.00 0.00 174.94 175.90 2yup s LEU 44 N 2.73 3.23 0.00 0.00 1.43 -0.15 -3.28 118.68 122.65 2yup s LEU 44 Ca 0.27 -0.06 -0.20 0.00 -1.03 0.00 0.00 54.13 53.12 2yup s LEU 44 Cb -0.15 -2.58 -0.11 0.00 0.03 0.00 0.00 46.19 43.38 2yup s LEU 44 CO 0.12 -2.06 0.95 0.40 0.23 0.00 0.00 176.35 175.99 2yup h ILE 45 N 6.42 0.00 -1.53 -0.59 2.04 -1.80 -1.27 117.51 120.78 2yup h ILE 45 Ca -0.27 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.32 2yup h ILE 45 Cb 1.10 0.00 -0.24 0.00 -0.74 0.00 0.00 36.82 36.94 2yup h ILE 45 CO 1.25 0.00 -0.31 -0.13 0.00 0.00 0.00 178.15 178.95 2yup s ARG 46 N -4.03 0.49 -0.47 2.37 0.52 -1.24 -4.78 118.95 111.81 2yup s ARG 46 Ca -0.11 0.95 -0.42 0.00 -0.52 0.00 0.00 55.73 55.64 2yup s ARG 46 Cb 0.01 0.31 -0.18 0.00 0.52 0.00 0.00 34.95 35.61 2yup s ARG 46 CO 0.32 -0.53 1.91 1.17 0.02 0.00 0.00 175.30 178.18 2yup n LYS 47 N 5.41 0.00 -0.02 3.54 4.81 -1.26 -4.15 118.16 126.49 2yup n LYS 47 Ca -0.04 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.24 2yup n LYS 47 Cb 0.50 -1.41 -0.09 0.00 0.02 0.00 0.00 35.03 34.05 2yup n LYS 47 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 2yup h VAL 48 N 6.19 1.39 -4.60 3.15 3.04 -1.89 -3.47 116.25 120.06 2yup h VAL 48 Ca -0.16 -1.85 -0.25 0.00 -1.01 0.00 0.00 66.70 63.43 2yup h VAL 48 Cb 1.32 2.30 -0.15 0.00 -2.01 0.00 0.00 31.29 32.76 2yup h VAL 48 CO 1.00 0.55 -0.61 0.21 -1.01 0.00 0.00 177.57 177.71 2yup s ASN 49 N -6.62 0.22 0.44 3.17 3.84 -0.85 -4.98 114.94 110.15 2yup s ASN 49 Ca -0.13 -1.40 0.19 0.00 0.21 0.00 0.00 52.86 51.72 2yup s ASN 49 Cb 0.05 0.39 1.13 0.00 -0.55 0.00 0.00 41.25 42.27 2yup s ASN 49 CO 0.81 -0.85 1.88 -0.33 -2.79 0.00 0.00 177.10 175.82 2yup h GLU 50 N 2.60 0.34 0.00 0.43 5.08 -2.03 -3.21 114.58 117.78 2yup h GLU 50 Ca -0.35 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 57.88 2yup h GLU 50 Cb 1.25 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2yup h GLU 50 CO 0.52 0.22 -1.40 0.09 -1.00 0.00 0.00 179.01 177.44 2yup n ASN 51 N -4.47 2.89 -4.77 1.42 3.02 -1.26 -5.03 115.26 107.06 2yup n ASN 51 Ca 0.18 -0.01 -0.36 0.00 -0.03 0.00 0.00 54.58 54.36 2yup n ASN 51 Cb 0.68 -0.13 0.01 0.00 -0.61 0.00 0.00 39.78 39.73 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 -2.14 2.57 -0.04 3.10 0.52 -1.21 -3.10 118.94 118.64 2yup s TRP 52 Ca -0.10 1.53 0.01 0.00 0.02 0.00 0.00 56.10 57.56 2yup s TRP 52 Cb 0.03 -3.39 0.02 0.00 -1.15 0.00 0.00 33.47 28.98 2yup s TRP 52 CO 0.16 -1.85 -0.04 0.71 0.02 0.00 0.00 176.95 175.95 2yup s TYR 53 N -1.67 0.62 -0.48 -1.98 2.02 -0.82 -2.00 117.35 113.04 2yup s TYR 53 Ca 0.74 -0.14 -0.16 0.00 -0.37 0.00 0.00 57.07 57.13 2yup s TYR 53 Cb -0.27 -0.56 0.07 0.00 -0.40 0.00 0.00 41.96 40.80 2yup s TYR 53 CO 0.30 -0.15 0.42 -2.00 -1.57 0.00 0.00 175.55 172.56 2yup s GLU 54 N 0.80 3.00 0.44 -0.62 2.12 -1.26 -1.75 118.70 121.43 2yup s GLU 54 Ca -0.10 -1.28 0.03 0.00 0.36 0.00 0.00 54.97 53.98 2yup s GLU 54 Cb -0.13 -4.12 -0.03 0.00 0.26 0.00 0.00 34.13 30.11 2yup s GLU 54 CO -0.00 -1.05 0.06 0.20 -0.54 0.00 0.00 175.26 173.93 2yup s GLY 55 N 2.58 2.70 0.04 -1.50 0.00 -0.45 -2.56 107.32 108.14 2yup s GLY 55 Ca 0.06 -1.12 0.05 0.00 0.00 0.00 0.00 44.72 43.71 2yup s GLY 55 CO 0.07 -2.01 -0.15 1.09 0.00 0.00 0.00 173.10 172.10 2yup s ARG 56 N -3.80 0.99 -0.86 2.90 1.04 -1.21 -1.96 118.95 116.06 2yup s ARG 56 Ca 0.19 -0.82 -0.18 0.00 -1.04 0.00 0.00 55.73 53.88 2yup s ARG 56 Cb 0.04 -1.03 0.14 0.00 -2.04 0.00 0.00 34.95 32.06 2yup s ARG 56 CO 0.10 0.25 1.02 0.42 -0.04 0.00 0.00 175.30 177.05 2yup s ILE 57 N -0.89 4.84 0.14 4.99 -1.09 0.51 -3.86 121.20 125.83 2yup s ILE 57 Ca 0.02 -1.55 -0.35 0.00 -2.23 0.00 0.00 60.65 56.54 2yup s ILE 57 Cb -0.08 -4.70 -0.14 0.00 -1.58 0.00 0.00 42.46 35.96 2yup s ILE 57 CO 0.02 -1.39 1.53 1.07 -1.23 0.00 0.00 174.94 174.93 2yup n THR 58 N 5.30 0.01 0.00 2.92 5.66 -1.26 -1.76 114.28 125.16 2yup n THR 58 Ca 0.17 -0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.17 2yup n THR 58 Cb 0.48 -1.38 0.00 0.00 -1.55 0.00 0.00 70.33 67.88 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 3.24 3.19 0.13 1.09 0.00 -1.26 -4.80 105.19 106.78 2yup n GLY 59 Ca 0.17 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 45.02 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 1.56 0.00 2.61 -2.24 -0.97 -5.04 114.28 110.20 2yup n THR 60 Ca 0.00 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2yup n THR 60 Cb 0.00 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 66.43 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 1.61 2.19 2.44 3.38 0.00 -0.72 -5.09 105.19 109.00 2yup n GLY 61 Ca -0.44 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.66 1.61 1.74 -1.26 -4.50 116.66 110.59 2yup n ARG 62 Ca 0.00 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.03 2yup n ARG 62 Cb 0.00 -0.73 -0.07 0.00 -1.02 0.00 0.00 32.46 30.64 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 -0.73 0.50 0.00 5.56 0.74 -1.26 -0.36 119.66 124.11 2yup s GLN 63 Ca 0.45 1.21 0.00 0.00 0.05 0.00 0.00 55.36 57.08 2yup s GLN 63 Cb -0.60 0.49 0.00 0.00 1.10 0.00 0.00 33.01 34.00 2yup s GLN 63 CO 0.42 -0.20 0.00 0.41 -0.55 0.00 0.00 175.29 175.37 2yup n GLY 64 N 5.12 2.13 3.69 2.59 0.00 -0.83 -4.86 105.19 113.03 2yup n GLY 64 Ca -0.13 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.59 3.71 0.11 -0.61 -4.36 -0.36 -1.34 121.20 115.75 2yup s ILE 65 Ca 0.00 -1.74 -0.22 0.00 -0.26 0.00 0.00 60.65 58.43 2yup s ILE 65 Cb 0.00 -2.97 0.06 0.00 1.25 0.00 0.00 42.46 40.80 2yup s ILE 65 CO 0.00 -0.34 0.55 0.72 0.24 0.00 0.00 174.94 176.11 2yup s PHE 66 N -2.21 -0.46 0.12 1.37 -0.71 -0.71 -2.43 117.98 112.94 2yup s PHE 66 Ca 0.31 0.36 -0.31 0.00 -1.04 0.00 0.00 56.93 56.25 2yup s PHE 66 Cb -0.07 0.44 -0.08 0.00 -1.21 0.00 0.00 43.02 42.10 2yup s PHE 66 CO 0.21 -0.75 1.35 -1.25 -1.34 0.00 0.00 175.22 173.45 2yup s PRO 67 N -3.19 4.34 0.05 1.99 0.04 -1.26 -1.95 135.00 135.03 2yup s PRO 67 Ca -0.01 2.03 -0.24 0.00 0.04 0.00 0.00 61.00 62.82 2yup s PRO 67 Cb -0.00 -3.25 -0.16 0.00 0.04 0.00 0.00 34.50 31.12 2yup s PRO 67 CO -0.08 -0.39 1.55 0.00 0.04 0.00 0.00 177.00 178.12 2yup h ALA 68 N 6.62 0.04 -0.45 8.56 0.00 -1.86 -2.56 119.26 129.60 2yup h ALA 68 Ca -0.42 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 54.51 2yup h ALA 68 Cb 1.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2yup h ALA 68 CO 0.85 -0.35 0.92 0.77 0.00 0.00 0.00 179.25 181.43 2yup h SER 69 N -0.16 0.00 0.44 0.00 0.02 -1.92 1.54 113.55 113.47 2yup h SER 69 Ca 0.01 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.65 2yup h SER 69 Cb 0.21 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.76 2yup h SER 69 CO -0.00 0.00 -1.45 1.88 -1.14 0.00 0.00 176.83 176.12 2yup h TYR 70 N 0.00 0.61 -1.33 3.45 -1.99 -1.85 -3.47 116.97 112.39 2yup h TYR 70 Ca 0.22 -0.45 -0.52 0.00 2.00 0.00 0.00 58.73 59.97 2yup h TYR 70 Cb 2.05 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 40.71 2yup h TYR 70 CO 0.00 1.42 -0.38 0.14 -0.00 0.00 0.00 178.16 179.34 2yup s VAL 71 N -2.62 2.39 -0.16 -2.88 -7.23 0.53 -2.58 120.40 107.85 2yup s VAL 71 Ca -0.08 -1.43 0.02 0.00 -1.81 0.00 0.00 61.98 58.68 2yup s VAL 71 Cb 0.06 -2.82 0.01 0.00 0.56 0.00 0.00 36.38 34.20 2yup s VAL 71 CO 0.88 0.00 -0.20 -1.58 -0.31 0.00 0.00 175.10 173.89 2yup s GLN 72 N -4.13 3.03 -0.19 4.82 2.00 0.62 -4.83 119.66 120.99 2yup s GLN 72 Ca 0.45 -0.83 -0.06 0.00 -2.00 0.00 0.00 55.36 52.91 2yup s GLN 72 Cb -0.02 -2.52 -0.04 0.00 0.80 0.00 0.00 33.01 31.24 2yup s GLN 72 CO 0.26 -0.10 0.04 0.54 -0.50 0.00 0.00 175.29 175.53 2yup s VAL 73 N 1.02 4.50 -0.15 1.34 0.11 -1.26 0.43 120.40 126.39 2yup s VAL 73 Ca -0.02 -0.13 0.14 0.00 -2.93 0.00 0.00 61.98 59.04 2yup s VAL 73 Cb -0.14 -3.03 -0.19 0.00 -1.53 0.00 0.00 36.38 31.49 2yup s VAL 73 CO -0.06 0.45 0.06 -1.20 -3.33 0.00 0.00 175.10 171.01 2yup n SER 74 N 3.74 1.22 -3.74 3.54 7.64 -0.83 -4.85 113.62 120.36 2yup n SER 74 Ca -0.17 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.42 2yup n SER 74 Cb 0.52 0.89 -0.14 0.00 -1.01 0.00 0.00 64.21 64.47 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 -2.38 1.06 0.53 1.43 6.06 -1.18 -4.99 118.95 119.49 2yup s ARG 75 Ca -0.08 -1.62 -0.22 0.00 -2.50 0.00 0.00 55.73 51.31 2yup s ARG 75 Cb 0.05 -2.24 -0.05 0.00 0.06 0.00 0.00 34.95 32.76 2yup s ARG 75 CO 0.63 -1.08 1.36 -1.21 -2.50 0.00 0.00 175.30 172.50 2yup s GLU 76 N 0.90 3.23 0.79 5.12 8.01 -1.26 -1.21 118.70 134.28 2yup s GLU 76 Ca 0.14 2.23 -0.13 0.00 0.01 0.00 0.00 54.97 57.22 2yup s GLU 76 Cb -0.21 -2.31 0.20 0.00 -4.31 0.00 0.00 34.13 27.50 2yup s GLU 76 CO -0.10 -1.12 0.70 -0.35 0.01 0.00 0.00 175.26 174.40 2yup n PRO 77 N -0.91 -2.40 -5.08 0.39 -0.04 -1.26 -4.75 135.00 120.96 2yup n PRO 77 Ca 0.10 -1.13 -0.32 0.00 -0.04 0.00 0.00 63.50 62.11 2yup n PRO 77 Cb 0.45 -1.06 -0.15 0.00 -0.04 0.00 0.00 33.50 32.70 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 -4.60 2.66 0.00 0.54 3.00 -1.26 -4.99 118.95 114.31 2yup s ARG 78 Ca 0.46 -0.81 0.00 0.00 -1.00 0.00 0.00 55.73 54.38 2yup s ARG 78 Cb -0.04 -2.30 0.00 0.00 0.00 0.00 0.00 34.95 32.60 2yup s ARG 78 CO 0.35 0.43 0.00 1.28 0.00 0.00 0.00 175.30 177.36 2yup n LEU 79 N 2.85 0.03 -3.18 -0.88 4.77 -1.26 -4.92 117.00 114.40 2yup n LEU 79 Ca -0.17 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.83 2yup n LEU 79 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 2yup n LEU 79 CO 0.26 -0.26 0.12 -0.13 -1.33 0.00 0.00 177.39 176.05 2yup s ARG 80 N -1.99 0.54 -0.61 3.23 0.52 -1.26 -5.11 118.95 114.27 2yup s ARG 80 Ca 0.00 0.82 -0.27 0.00 -0.52 0.00 0.00 55.73 55.76 2yup s ARG 80 Cb 0.00 0.35 -0.01 0.00 0.52 0.00 0.00 34.95 35.81 2yup s ARG 80 CO 0.00 -0.74 1.71 -0.51 0.02 0.00 0.00 175.30 175.78 2yup s LEU 81 N 2.81 3.29 -0.40 2.53 1.02 -1.26 -4.83 118.68 121.84 2yup s LEU 81 Ca 0.17 0.25 0.05 0.00 0.02 0.00 0.00 54.13 54.63 2yup s LEU 81 Cb -0.14 -2.65 0.44 0.00 0.02 0.00 0.00 46.19 43.86 2yup s LEU 81 CO -0.22 -2.18 1.25 0.00 0.02 0.00 0.00 176.35 175.22 2yup s ASP 83 N -3.35 -0.55 -0.85 0.00 -4.77 -1.26 -5.09 116.67 100.79 2yup s ASP 83 Ca 0.51 0.98 -0.21 0.00 -3.30 0.00 0.00 52.55 50.53 2yup s ASP 83 Cb 0.41 0.90 0.10 0.00 -1.09 0.00 0.00 42.92 43.24 2yup s ASP 83 CO -0.07 -0.20 1.11 -0.62 0.70 0.00 0.00 175.17 176.09 2yup s ASP 84 N 1.53 6.46 -1.60 2.11 2.15 -1.26 -4.34 116.67 121.72 2yup s ASP 84 Ca -0.09 -1.62 -0.14 0.00 0.43 0.00 0.00 52.55 51.14 2yup s ASP 84 Cb -0.08 -2.43 0.11 0.00 -0.30 0.00 0.00 42.92 40.22 2yup s ASP 84 CO -0.14 -1.25 0.80 -0.24 -0.17 0.00 0.00 175.17 174.18 2yup n SER 85 N 7.22 -3.34 0.00 -0.34 2.88 -1.26 -4.60 113.62 114.18 2yup n SER 85 Ca 0.16 -0.93 0.00 0.00 -1.33 0.00 0.00 58.87 56.77 2yup n SER 85 Cb 0.48 -3.22 0.00 0.00 -0.75 0.00 0.00 64.21 60.72 2yup n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yup n GLY 86 N -1.58 -1.17 3.65 0.46 0.00 -1.26 -4.82 105.19 100.46 2yup n GLY 86 Ca 0.00 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.01 4.04 -0.04 1.61 0.04 -1.26 -4.97 135.00 133.41 2yup s PRO 87 Ca 0.00 1.87 -0.29 0.00 0.04 0.00 0.00 61.00 62.62 2yup s PRO 87 Cb 0.00 -3.96 0.10 0.00 0.04 0.00 0.00 34.50 30.68 2yup s PRO 87 CO 0.00 -0.99 0.86 -1.54 0.04 0.00 0.00 177.00 175.37 2yup s SER 88 N 3.39 -0.43 -0.23 6.66 1.04 -1.26 -5.14 113.70 117.71 2yup s SER 88 Ca 0.69 0.23 -0.08 0.00 0.48 0.00 0.00 55.95 57.27 2yup s SER 88 Cb -0.28 0.41 0.11 0.00 0.10 0.00 0.00 66.02 66.36 2yup s SER 88 CO 0.26 -0.57 0.49 -0.44 0.98 0.00 0.00 173.24 173.96 2yup s SER 89 N -1.90 -0.55 0.00 7.02 0.01 -1.26 -5.07 113.70 111.96 2yup s SER 89 Ca 0.00 1.15 0.00 0.00 1.31 0.00 0.00 55.95 58.41 2yup s SER 89 Cb -0.01 1.66 0.00 0.00 0.21 0.00 0.00 66.02 67.89 2yup s SER 89 CO -0.03 -0.23 0.24 0.61 0.41 0.00 0.00 173.24 174.23