#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bj1 s VAL 15 N 0.00 4.95 0.61 2.52 1.01 -1.26 -5.03 120.40 123.20 1bj1 s VAL 15 Ca 0.00 1.79 -0.18 0.00 0.00 0.00 0.00 61.98 63.58 1bj1 s VAL 15 Cb 0.00 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1bj1 s VAL 15 CO 0.00 0.20 1.19 -0.54 0.00 0.00 0.00 175.10 175.95 1bj1 s LYS 16 N 0.94 2.91 0.21 2.72 -0.14 -1.26 -4.82 119.74 120.30 1bj1 s LYS 16 Ca 0.45 1.76 -0.10 0.00 -1.36 0.00 0.00 55.97 56.73 1bj1 s LYS 16 Cb -0.19 -1.93 0.27 0.00 -1.68 0.00 0.00 37.83 34.30 1bj1 s LYS 16 CO 0.23 -1.23 1.74 0.35 -0.76 0.00 0.00 175.35 175.68 1bj1 h PHE 17 N 0.73 0.36 -0.81 3.18 3.57 -1.99 -1.48 116.94 120.50 1bj1 h PHE 17 Ca -0.50 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.01 1bj1 h PHE 17 Cb 1.29 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.92 1bj1 h PHE 17 CO 0.48 0.08 0.42 1.98 -2.23 0.00 0.00 178.31 179.04 1bj1 h MET 18 N 0.38 1.14 -0.09 1.11 4.05 -1.99 -0.48 114.93 119.06 1bj1 h MET 18 Ca 0.30 -0.15 -0.02 0.00 -0.28 0.00 0.00 59.70 59.56 1bj1 h MET 18 Cb 0.38 -0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 30.96 1bj1 h MET 18 CO -0.31 0.86 -0.01 -0.44 0.23 0.00 0.00 176.91 177.23 1bj1 h ASP 19 N 1.13 0.17 -0.79 1.39 3.32 -1.79 -1.09 116.42 118.76 1bj1 h ASP 19 Ca 0.28 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1bj1 h ASP 19 Cb 0.07 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 1bj1 h ASP 19 CO -0.04 0.48 0.42 0.58 -1.72 0.00 0.00 179.24 178.96 1bj1 h VAL 20 N -0.15 1.24 -0.25 -1.35 2.07 -1.18 -1.37 116.25 115.27 1bj1 h VAL 20 Ca 0.02 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1bj1 h VAL 20 Cb 0.40 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1bj1 h VAL 20 CO 0.01 0.27 0.14 0.22 0.02 0.00 0.00 177.57 178.23 1bj1 h TYR 21 N 1.10 0.33 -0.28 1.57 5.03 -0.98 -2.33 116.97 121.42 1bj1 h TYR 21 Ca 0.28 -0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.49 1bj1 h TYR 21 Cb 0.05 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.21 1bj1 h TYR 21 CO 0.00 0.27 -0.21 1.96 -1.32 0.00 0.00 178.16 178.86 1bj1 h GLN 22 N 0.30 0.51 0.00 1.82 4.20 -1.03 -2.79 115.11 118.13 1bj1 h GLN 22 Ca 0.09 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 1bj1 h GLN 22 Cb 0.04 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1bj1 h GLN 22 CO -0.02 0.69 -0.34 0.00 -0.67 0.00 0.00 178.83 178.50 1bj1 h ARG 23 N 0.46 0.00 -0.01 1.46 3.08 -1.04 -3.25 114.38 115.07 1bj1 h ARG 23 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1bj1 h ARG 23 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1bj1 h ARG 23 CO 0.04 0.34 -0.40 -1.13 -1.07 0.00 0.00 179.97 177.75 1bj1 n SER 24 N -3.48 1.82 -4.71 7.04 3.41 -0.89 -4.96 113.62 111.84 1bj1 n SER 24 Ca -0.00 -1.41 -0.42 0.00 -0.26 0.00 0.00 58.87 56.78 1bj1 n SER 24 Cb 0.50 0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 64.90 1bj1 n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1bj1 s TYR 25 N -2.17 3.53 0.00 7.33 5.04 -1.06 0.13 117.35 130.15 1bj1 s TYR 25 Ca 0.16 1.51 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 1bj1 s TYR 25 Cb 0.15 -3.25 0.00 0.00 0.35 0.00 0.00 41.96 39.21 1bj1 s TYR 25 CO 0.48 -0.57 0.00 0.00 -1.34 0.00 0.00 175.55 174.13 1bj1 s HIS 27 N 0.00 -0.13 -0.27 0.00 -3.43 0.91 -4.87 115.29 107.48 1bj1 s HIS 27 Ca 0.00 -0.20 -0.28 0.00 -0.80 0.00 0.00 55.06 53.79 1bj1 s HIS 27 Cb 0.00 0.65 0.01 0.00 -1.43 0.00 0.00 32.58 31.81 1bj1 s HIS 27 CO 0.00 -0.90 0.98 -2.14 -2.00 0.00 0.00 174.74 170.69 1bj1 s PRO 28 N -3.37 4.14 0.08 -0.38 0.02 -1.26 0.73 135.00 134.95 1bj1 s PRO 28 Ca 0.12 1.08 0.09 0.00 0.02 0.00 0.00 61.00 62.32 1bj1 s PRO 28 Cb -0.02 -3.69 -0.03 0.00 0.02 0.00 0.00 34.50 30.78 1bj1 s PRO 28 CO 0.03 -0.72 -0.24 -1.50 -0.33 0.00 0.00 177.00 174.24 1bj1 s ILE 29 N 3.27 2.00 -0.06 2.83 2.07 0.90 -4.81 121.20 127.39 1bj1 s ILE 29 Ca 0.41 -1.48 -0.30 0.00 -1.41 0.00 0.00 60.65 57.88 1bj1 s ILE 29 Cb -0.14 -1.75 -0.06 0.00 0.13 0.00 0.00 42.46 40.64 1bj1 s ILE 29 CO 0.10 0.18 1.74 -0.70 -1.91 0.00 0.00 174.94 174.36 1bj1 s GLU 30 N -1.57 4.08 -0.02 3.50 2.12 -1.26 -1.87 118.70 123.67 1bj1 s GLU 30 Ca 0.11 2.20 0.07 0.00 0.36 0.00 0.00 54.97 57.71 1bj1 s GLU 30 Cb -0.10 -4.05 -0.02 0.00 0.26 0.00 0.00 34.13 30.23 1bj1 s GLU 30 CO 0.03 -0.98 -0.23 0.99 -0.54 0.00 0.00 175.26 174.53 1bj1 s THR 31 N 4.47 1.83 -0.43 -1.70 2.01 0.52 -4.94 115.64 117.40 1bj1 s THR 31 Ca 0.78 -0.98 -0.20 0.00 0.31 0.00 0.00 61.69 61.59 1bj1 s THR 31 Cb -0.34 -1.53 0.02 0.00 0.01 0.00 0.00 72.50 70.66 1bj1 s THR 31 CO 0.32 0.52 0.62 -0.76 -0.69 0.00 0.00 174.62 174.63 1bj1 s LEU 32 N -0.47 4.52 -0.07 4.42 1.43 -1.26 -0.53 118.68 126.73 1bj1 s LEU 32 Ca 0.07 -0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 52.78 1bj1 s LEU 32 Cb -0.10 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 1bj1 s LEU 32 CO -0.00 -0.74 0.14 -0.69 0.23 0.00 0.00 176.35 175.29 1bj1 s VAL 33 N 2.73 5.38 -0.13 -1.59 1.01 0.71 -4.86 120.40 123.65 1bj1 s VAL 33 Ca 0.21 0.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.94 1bj1 s VAL 33 Cb -0.14 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 1bj1 s VAL 33 CO 0.18 0.50 0.95 -0.62 0.00 0.00 0.00 175.10 176.11 1bj1 s ASP 34 N -1.38 7.15 0.15 3.32 2.15 -1.26 -0.55 116.67 126.24 1bj1 s ASP 34 Ca 0.20 1.41 -0.17 0.00 0.43 0.00 0.00 52.55 54.41 1bj1 s ASP 34 Cb -0.12 -2.52 0.03 0.00 -0.30 0.00 0.00 42.92 40.01 1bj1 s ASP 34 CO 0.10 -0.44 1.74 0.40 -0.17 0.00 0.00 175.17 176.79 1bj1 h ILE 35 N 5.14 0.87 0.00 4.11 2.04 -1.80 -1.86 117.51 126.01 1bj1 h ILE 35 Ca -0.30 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 1bj1 h ILE 35 Cb 1.14 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1bj1 h ILE 35 CO 0.86 0.03 -0.08 0.15 0.00 0.00 0.00 178.15 179.11 1bj1 h PHE 36 N 0.19 0.00 -0.02 1.37 3.57 -1.79 0.42 116.94 120.68 1bj1 h PHE 36 Ca 0.14 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.45 1bj1 h PHE 36 Cb 0.14 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1bj1 h PHE 36 CO -0.16 0.08 -0.82 -0.56 -2.23 0.00 0.00 178.31 174.61 1bj1 h GLN 37 N 0.00 0.24 0.00 1.11 3.07 -1.74 -2.72 115.11 115.06 1bj1 h GLN 37 Ca -0.00 -0.24 -0.04 0.00 0.09 0.00 0.00 58.65 58.46 1bj1 h GLN 37 Cb 0.24 0.06 -0.01 0.00 0.08 0.00 0.00 27.48 27.85 1bj1 h GLN 37 CO 0.01 0.94 -0.20 0.93 0.09 0.00 0.00 178.83 180.59 1bj1 h GLU 38 N 0.14 0.00 -2.53 0.06 4.39 -0.61 -3.38 114.58 112.66 1bj1 h GLU 38 Ca -0.04 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.07 1bj1 h GLU 38 Cb 1.43 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 29.69 1bj1 h GLU 38 CO 0.13 0.20 -0.89 0.71 -1.16 0.00 0.00 179.01 178.00 1bj1 s TYR 39 N -3.22 1.25 -2.00 4.33 2.02 -0.01 -4.99 117.35 114.73 1bj1 s TYR 39 Ca 0.05 -2.23 0.14 0.00 -0.37 0.00 0.00 57.07 54.66 1bj1 s TYR 39 Cb 0.07 -1.13 0.86 0.00 -0.40 0.00 0.00 41.96 41.36 1bj1 s TYR 39 CO 0.68 -0.80 1.39 -0.35 -1.57 0.00 0.00 175.55 174.90 1bj1 n PRO 40 N 3.14 0.77 0.00 -1.71 -0.04 -1.03 -2.99 135.00 133.14 1bj1 n PRO 40 Ca 0.23 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.78 1bj1 n PRO 40 Cb 0.43 -1.29 -0.01 0.00 -0.04 0.00 0.00 33.50 32.59 1bj1 n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1bj1 n ASP 41 N -0.79 1.73 -2.48 3.54 8.00 -1.26 -4.48 116.55 120.81 1bj1 n ASP 41 Ca 0.11 -1.36 -0.24 0.00 0.71 0.00 0.00 54.79 54.01 1bj1 n ASP 41 Cb 0.05 0.51 -0.09 0.00 -0.02 0.00 0.00 41.12 41.56 1bj1 n ASP 41 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1bj1 n GLU 42 N -0.16 2.59 -0.19 -1.24 -0.58 -1.16 -4.66 120.64 115.23 1bj1 n GLU 42 Ca 0.07 -1.95 -0.03 0.00 -0.42 0.00 0.00 57.16 54.84 1bj1 n GLU 42 Cb 0.38 -2.19 0.07 0.00 -0.57 0.00 0.00 31.44 29.13 1bj1 n GLU 42 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1bj1 h ILE 43 N 2.14 0.95 -0.04 -3.67 5.03 -1.86 -2.98 117.51 117.09 1bj1 h ILE 43 Ca 0.39 -0.19 0.00 0.00 -0.12 0.00 0.00 64.86 64.94 1bj1 h ILE 43 Cb 0.94 0.33 0.00 0.00 -3.03 0.00 0.00 36.82 35.06 1bj1 h ILE 43 CO 0.77 0.10 0.00 -1.84 -0.68 0.00 0.00 178.15 176.50 1bj1 n GLU 44 N -4.86 1.22 -4.04 2.37 0.00 -1.26 -4.90 120.64 109.17 1bj1 n GLU 44 Ca 0.06 -0.33 -0.29 0.00 0.00 0.00 0.00 57.16 56.61 1bj1 n GLU 44 Cb 0.16 -1.37 -0.06 0.00 0.00 0.00 0.00 31.44 30.17 1bj1 n GLU 44 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1bj1 s TYR 45 N -1.95 3.23 -0.10 -1.84 2.02 -1.13 -4.58 117.35 113.00 1bj1 s TYR 45 Ca 0.34 0.07 0.03 0.00 -0.37 0.00 0.00 57.07 57.13 1bj1 s TYR 45 Cb 0.16 -1.60 -0.01 0.00 -0.40 0.00 0.00 41.96 40.11 1bj1 s TYR 45 CO 0.27 0.53 -0.19 0.42 -1.57 0.00 0.00 175.55 175.00 1bj1 s ILE 46 N -1.55 2.53 0.07 2.71 1.01 -0.60 -4.95 121.20 120.42 1bj1 s ILE 46 Ca 0.31 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 60.16 1bj1 s ILE 46 Cb -0.11 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 1bj1 s ILE 46 CO 0.24 0.55 -0.12 -0.36 0.00 0.00 0.00 174.94 175.25 1bj1 s PHE 47 N 0.18 2.71 -0.13 3.97 0.08 -1.26 -0.77 117.98 122.75 1bj1 s PHE 47 Ca -0.11 -0.17 -0.02 0.00 0.12 0.00 0.00 56.93 56.76 1bj1 s PHE 47 Cb -0.16 -1.47 0.04 0.00 -0.57 0.00 0.00 43.02 40.86 1bj1 s PHE 47 CO 0.06 0.37 -0.00 0.15 -0.10 0.00 0.00 175.22 175.70 1bj1 s LYS 48 N -1.83 0.84 0.76 0.44 -0.14 -0.87 -3.46 119.74 115.47 1bj1 s LYS 48 Ca 0.18 -0.21 -0.12 0.00 -1.36 0.00 0.00 55.97 54.47 1bj1 s LYS 48 Cb -0.11 -1.59 0.05 0.00 -1.68 0.00 0.00 37.83 34.50 1bj1 s LYS 48 CO 0.10 -0.44 1.12 -1.25 -0.76 0.00 0.00 175.35 174.12 1bj1 s PRO 49 N 1.86 2.42 0.00 -1.68 0.04 -1.26 -1.90 135.00 134.47 1bj1 s PRO 49 Ca 0.02 0.36 0.28 0.00 0.04 0.00 0.00 61.00 61.71 1bj1 s PRO 49 Cb -0.14 -1.98 1.17 0.00 0.04 0.00 0.00 34.50 33.58 1bj1 s PRO 49 CO -0.07 -1.33 1.84 -1.13 0.04 0.00 0.00 177.00 176.35 1bj1 n SER 50 N -3.19 0.30 -3.92 6.66 3.41 -1.22 -4.85 113.62 110.82 1bj1 n SER 50 Ca 0.07 -0.23 -0.09 0.00 -0.26 0.00 0.00 58.87 58.36 1bj1 n SER 50 Cb 0.58 -0.15 -0.09 0.00 -0.26 0.00 0.00 64.21 64.29 1bj1 n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bj1 s VAL 52 N -2.66 1.49 -0.70 0.00 -7.23 0.29 -4.89 120.40 106.69 1bj1 s VAL 52 Ca -0.04 -1.69 -0.26 0.00 -1.81 0.00 0.00 61.98 58.18 1bj1 s VAL 52 Cb -0.01 -1.56 0.04 0.00 0.56 0.00 0.00 36.38 35.41 1bj1 s VAL 52 CO -0.05 -0.31 1.19 -2.16 -0.31 0.00 0.00 175.10 173.47 1bj1 s PRO 53 N -2.46 3.22 0.05 4.82 0.04 -1.26 -0.21 135.00 139.21 1bj1 s PRO 53 Ca 0.09 -0.29 0.09 0.00 0.04 0.00 0.00 61.00 60.93 1bj1 s PRO 53 Cb -0.07 -4.16 -0.03 0.00 0.04 0.00 0.00 34.50 30.28 1bj1 s PRO 53 CO 0.04 -2.00 -0.26 -0.51 0.04 0.00 0.00 177.00 174.31 1bj1 s LEU 54 N 5.24 2.19 -0.09 -3.56 1.43 0.32 -4.90 118.68 119.30 1bj1 s LEU 54 Ca 0.33 -0.60 -0.30 0.00 -1.03 0.00 0.00 54.13 52.53 1bj1 s LEU 54 Cb -0.10 -1.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.85 1bj1 s LEU 54 CO 0.16 0.24 1.04 -0.04 0.23 0.00 0.00 176.35 177.98 1bj1 s MET 55 N -1.33 4.42 0.12 1.70 -1.94 -1.26 -0.36 119.30 120.65 1bj1 s MET 55 Ca 0.12 1.44 -0.04 0.00 -1.71 0.00 0.00 55.69 55.50 1bj1 s MET 55 Cb -0.10 -3.54 -0.03 0.00 2.01 0.00 0.00 34.83 33.17 1bj1 s MET 55 CO 0.02 -0.33 0.12 1.03 -0.01 0.00 0.00 175.02 175.86 1bj1 s ARG 56 N 2.00 0.93 0.37 2.03 1.81 -0.78 -1.72 118.95 123.59 1bj1 s ARG 56 Ca 0.50 -1.27 -0.27 0.00 -1.72 0.00 0.00 55.73 52.96 1bj1 s ARG 56 Cb -0.19 0.29 -0.09 0.00 -0.45 0.00 0.00 34.95 34.50 1bj1 s ARG 56 CO 0.19 -0.28 1.26 0.00 -0.68 0.00 0.00 175.30 175.79 1bj1 s GLY 58 N -0.73 -0.49 0.00 0.00 0.00 0.22 -4.80 107.32 101.53 1bj1 s GLY 58 Ca 0.53 0.29 0.00 0.00 0.00 0.00 0.00 44.72 45.54 1bj1 s GLY 58 CO 0.48 0.02 0.00 0.61 0.00 0.00 0.00 173.10 174.21 1bj1 n GLY 59 N -0.34 -0.39 3.40 0.20 0.00 -1.26 -0.06 105.19 106.73 1bj1 n GLY 59 Ca -0.16 -2.25 -0.21 0.00 0.00 0.00 0.00 46.02 43.40 1bj1 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bj1 n ASN 62 N -1.81 -3.60 -3.64 0.00 3.02 -1.26 -5.00 115.26 102.97 1bj1 n ASN 62 Ca -0.01 -0.59 -0.06 0.00 -0.03 0.00 0.00 54.58 53.89 1bj1 n ASN 62 Cb 0.34 -5.06 -0.07 0.00 -0.61 0.00 0.00 39.78 34.37 1bj1 n ASN 62 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1bj1 s ASP 63 N -3.98 -0.75 0.46 6.41 -1.08 -1.26 -5.05 116.67 111.41 1bj1 s ASP 63 Ca 0.21 1.22 0.28 0.00 -0.52 0.00 0.00 52.55 53.75 1bj1 s ASP 63 Cb -0.09 1.30 0.94 0.00 -1.46 0.00 0.00 42.92 43.61 1bj1 s ASP 63 CO 0.72 -0.19 1.82 -0.33 0.52 0.00 0.00 175.17 177.71 1bj1 h GLU 64 N 6.41 0.00 -0.04 4.34 4.39 -2.04 -3.11 114.58 124.53 1bj1 h GLU 64 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1bj1 h GLU 64 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1bj1 h GLU 64 CO 0.17 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.43 1bj1 n GLY 65 N 0.49 0.74 3.71 -3.84 0.00 -1.26 -4.93 105.19 100.09 1bj1 n GLY 65 Ca 0.02 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 1bj1 n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bj1 s LEU 66 N -1.98 3.42 -0.03 0.99 1.43 -1.18 -0.01 118.68 121.32 1bj1 s LEU 66 Ca 0.31 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 52.89 1bj1 s LEU 66 Cb 0.20 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.46 1bj1 s LEU 66 CO 0.31 0.01 0.16 -1.83 0.23 0.00 0.00 176.35 175.23 1bj1 s GLU 67 N -3.54 0.34 -0.22 1.70 -1.05 0.90 -4.77 118.70 112.07 1bj1 s GLU 67 Ca 0.31 -0.05 -0.28 0.00 -0.15 0.00 0.00 54.97 54.79 1bj1 s GLU 67 Cb -0.08 0.15 0.01 0.00 -0.44 0.00 0.00 34.13 33.77 1bj1 s GLU 67 CO 0.21 -0.07 0.99 0.00 0.95 0.00 0.00 175.26 177.35 1bj1 s VAL 69 N 3.02 0.72 0.15 0.00 -7.23 -0.19 -4.89 120.40 111.98 1bj1 s VAL 69 Ca 0.43 -1.29 -0.30 0.00 -1.81 0.00 0.00 61.98 59.00 1bj1 s VAL 69 Cb -0.15 -0.91 -0.08 0.00 0.56 0.00 0.00 36.38 35.80 1bj1 s VAL 69 CO 0.07 -0.43 1.22 -2.16 -0.31 0.00 0.00 175.10 173.49 1bj1 s PRO 70 N -2.02 4.46 0.00 4.82 0.04 -1.26 0.14 135.00 141.18 1bj1 s PRO 70 Ca -0.04 1.87 0.05 0.00 0.04 0.00 0.00 61.00 62.92 1bj1 s PRO 70 Cb -0.07 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.22 1bj1 s PRO 70 CO 0.00 -0.16 0.52 0.25 0.04 0.00 0.00 177.00 177.65 1bj1 n THR 71 N 2.93 0.00 -3.66 1.26 -2.24 0.25 -4.84 114.28 107.98 1bj1 n THR 71 Ca 0.06 -0.47 -0.08 0.00 -2.27 0.00 0.00 64.05 61.29 1bj1 n THR 71 Cb 0.45 1.07 -0.08 0.00 -2.10 0.00 0.00 70.33 69.67 1bj1 n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1bj1 s GLU 72 N -0.69 0.57 0.28 -0.78 2.12 -1.04 -4.88 118.70 114.29 1bj1 s GLU 72 Ca 0.04 1.08 0.05 0.00 0.36 0.00 0.00 54.97 56.50 1bj1 s GLU 72 Cb 0.04 0.13 -0.06 0.00 0.26 0.00 0.00 34.13 34.50 1bj1 s GLU 72 CO 0.09 -0.16 -0.00 -1.21 -0.54 0.00 0.00 175.26 173.44 1bj1 s GLU 73 N 1.67 1.51 0.18 4.30 2.02 -1.26 0.13 118.70 127.24 1bj1 s GLU 73 Ca -0.09 -1.79 -0.24 0.00 0.02 0.00 0.00 54.97 52.87 1bj1 s GLU 73 Cb -0.07 -0.88 0.06 0.00 0.10 0.00 0.00 34.13 33.34 1bj1 s GLU 73 CO -0.17 -0.08 0.94 -1.54 0.02 0.00 0.00 175.26 174.43 1bj1 s SER 74 N -3.41 -0.16 0.17 -0.19 1.04 -1.09 -4.77 113.70 105.30 1bj1 s SER 74 Ca 0.31 -0.49 0.08 0.00 0.48 0.00 0.00 55.95 56.33 1bj1 s SER 74 Cb 0.06 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 1bj1 s SER 74 CO 0.12 -0.99 -0.08 0.20 0.98 0.00 0.00 173.24 173.46 1bj1 s ASN 75 N -3.00 4.34 0.00 7.02 -0.87 -1.26 0.82 114.94 122.00 1bj1 s ASN 75 Ca 0.13 -0.52 0.04 0.00 -1.57 0.00 0.00 52.86 50.94 1bj1 s ASN 75 Cb -0.02 -0.78 -0.01 0.00 -0.02 0.00 0.00 41.25 40.42 1bj1 s ASN 75 CO 0.04 0.12 -0.12 -0.51 -2.57 0.00 0.00 177.10 174.05 1bj1 s ILE 76 N -1.61 0.97 -0.15 0.60 1.10 0.17 -4.90 121.20 117.39 1bj1 s ILE 76 Ca 0.24 -0.65 -0.04 0.00 -0.51 0.00 0.00 60.65 59.70 1bj1 s ILE 76 Cb -0.09 -0.84 -0.03 0.00 0.15 0.00 0.00 42.46 41.65 1bj1 s ILE 76 CO 0.15 0.18 -0.03 -0.89 -2.11 0.00 0.00 174.94 172.25 1bj1 s THR 77 N -0.45 4.01 0.05 4.00 2.01 -1.26 0.43 115.64 124.42 1bj1 s THR 77 Ca 0.03 -0.32 0.03 0.00 0.31 0.00 0.00 61.69 61.74 1bj1 s THR 77 Cb -0.06 -2.75 -0.02 0.00 0.01 0.00 0.00 72.50 69.68 1bj1 s THR 77 CO -0.00 0.50 -0.09 -0.04 -0.69 0.00 0.00 174.62 174.30 1bj1 s MET 78 N 0.26 0.59 -0.40 4.92 1.00 0.41 -4.93 119.30 121.14 1bj1 s MET 78 Ca -0.02 -0.77 -0.26 0.00 0.00 0.00 0.00 55.69 54.64 1bj1 s MET 78 Cb -0.14 -0.42 0.02 0.00 0.00 0.00 0.00 34.83 34.30 1bj1 s MET 78 CO 0.03 0.08 0.96 -0.65 0.00 0.00 0.00 175.02 175.44 1bj1 s GLN 79 N -1.53 3.78 -0.04 2.03 -0.21 -1.25 -0.03 119.66 122.41 1bj1 s GLN 79 Ca -0.08 0.53 0.07 0.00 0.02 0.00 0.00 55.36 55.90 1bj1 s GLN 79 Cb -0.10 -3.84 -0.01 0.00 1.00 0.00 0.00 33.01 30.06 1bj1 s GLN 79 CO 0.01 -1.05 -0.25 0.42 -2.12 0.00 0.00 175.29 172.29 1bj1 s ILE 80 N 3.67 2.00 0.03 1.08 -1.09 0.58 -4.84 121.20 122.64 1bj1 s ILE 80 Ca 0.40 -1.06 -0.25 0.00 -2.23 0.00 0.00 60.65 57.50 1bj1 s ILE 80 Cb -0.11 -1.68 -0.05 0.00 -1.58 0.00 0.00 42.46 39.04 1bj1 s ILE 80 CO 0.22 0.56 0.78 -0.32 -1.23 0.00 0.00 174.94 174.94 1bj1 s MET 81 N -0.38 4.50 0.05 2.79 -2.45 -0.80 -2.13 119.30 120.88 1bj1 s MET 81 Ca 0.03 1.08 0.08 0.00 -1.25 0.00 0.00 55.69 55.63 1bj1 s MET 81 Cb -0.12 -3.38 -0.03 0.00 1.25 0.00 0.00 34.83 32.56 1bj1 s MET 81 CO 0.01 0.24 -0.20 1.03 1.05 0.00 0.00 175.02 177.16 1bj1 s ARG 82 N 0.08 1.98 -0.10 4.11 0.52 -0.33 -2.06 118.95 123.15 1bj1 s ARG 82 Ca 0.39 -1.03 -0.02 0.00 -0.52 0.00 0.00 55.73 54.55 1bj1 s ARG 82 Cb -0.20 -2.13 0.04 0.00 0.52 0.00 0.00 34.95 33.17 1bj1 s ARG 82 CO 0.23 0.53 0.03 0.42 0.02 0.00 0.00 175.30 176.53 1bj1 s ILE 83 N -0.92 0.23 -0.46 1.52 1.01 0.05 -2.36 121.20 120.27 1bj1 s ILE 83 Ca 0.14 0.05 -0.08 0.00 0.00 0.00 0.00 60.65 60.77 1bj1 s ILE 83 Cb -0.10 -0.53 0.12 0.00 0.01 0.00 0.00 42.46 41.96 1bj1 s ILE 83 CO 0.05 0.10 0.32 -0.75 0.00 0.00 0.00 174.94 174.65 1bj1 s LYS 84 N 2.02 2.38 -0.05 2.79 2.20 -0.56 -1.55 119.74 126.97 1bj1 s LYS 84 Ca 0.04 -1.78 -0.40 0.00 -0.36 0.00 0.00 55.97 53.47 1bj1 s LYS 84 Cb -0.13 -3.86 -0.19 0.00 -1.51 0.00 0.00 37.83 32.14 1bj1 s LYS 84 CO -0.06 -1.17 1.19 -0.35 -0.36 0.00 0.00 175.35 174.61 1bj1 n PRO 85 N 4.84 0.23 0.00 4.03 -0.04 -1.26 -0.29 135.00 142.51 1bj1 n PRO 85 Ca -0.07 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1bj1 n PRO 85 Cb 0.41 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 1bj1 n PRO 85 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1bj1 n HIS 86 N 2.06 0.00 -0.04 0.54 8.25 -1.26 -4.81 115.22 119.96 1bj1 n HIS 86 Ca 0.21 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.58 1bj1 n HIS 86 Cb 0.09 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 1bj1 n HIS 86 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1bj1 n GLN 87 N -1.99 0.25 -3.78 -0.41 6.02 0.60 -5.14 117.38 112.93 1bj1 n GLN 87 Ca 0.00 0.10 -0.03 0.00 -0.01 0.00 0.00 57.00 57.06 1bj1 n GLN 87 Cb 0.00 -0.92 -0.00 0.00 1.02 0.00 0.00 30.24 30.34 1bj1 n GLN 87 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1bj1 s GLY 88 N -4.86 -0.14 -0.22 1.08 0.00 -0.88 -5.01 107.32 97.29 1bj1 s GLY 88 Ca -0.15 0.02 -0.17 0.00 0.00 0.00 0.00 44.72 44.42 1bj1 s GLY 88 CO 0.20 0.61 0.56 1.62 0.00 0.00 0.00 173.10 176.08 1bj1 s GLN 89 N -2.92 0.61 0.00 2.90 0.74 -1.26 -1.50 119.66 118.23 1bj1 s GLN 89 Ca 0.15 0.87 0.00 0.00 0.05 0.00 0.00 55.36 56.43 1bj1 s GLN 89 Cb -0.01 0.21 0.00 0.00 1.10 0.00 0.00 33.01 34.31 1bj1 s GLN 89 CO 0.03 -0.11 0.00 -2.39 -0.55 0.00 0.00 175.29 172.27 1bj1 n HIS 90 N 3.40 0.00 -3.09 1.67 1.44 -1.00 -5.02 115.22 112.62 1bj1 n HIS 90 Ca -0.17 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.31 1bj1 n HIS 90 Cb 0.56 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.68 1bj1 n HIS 90 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1bj1 s ILE 91 N -2.00 4.36 -0.05 0.61 -4.36 -1.26 -1.19 121.20 117.30 1bj1 s ILE 91 Ca 0.00 -0.47 -0.26 0.00 -0.26 0.00 0.00 60.65 59.66 1bj1 s ILE 91 Cb 0.00 -3.60 0.08 0.00 1.25 0.00 0.00 42.46 40.19 1bj1 s ILE 91 CO 0.00 -0.42 1.16 0.61 0.24 0.00 0.00 174.94 176.53 1bj1 n GLY 92 N -1.99 0.20 3.74 6.27 0.00 -0.90 -4.95 105.19 107.56 1bj1 n GLY 92 Ca -0.00 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 1bj1 n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bj1 s GLU 93 N -2.01 4.30 -0.01 1.61 2.02 -1.26 -0.30 118.70 123.05 1bj1 s GLU 93 Ca 0.27 0.57 0.05 0.00 0.02 0.00 0.00 54.97 55.88 1bj1 s GLU 93 Cb -0.00 -3.39 -0.01 0.00 0.10 0.00 0.00 34.13 30.83 1bj1 s GLU 93 CO -0.01 0.26 -0.15 -1.64 0.02 0.00 0.00 175.26 173.74 1bj1 s MET 94 N 0.23 1.16 -0.11 1.61 -1.94 0.96 -4.93 119.30 116.28 1bj1 s MET 94 Ca 0.28 -0.55 -0.05 0.00 -1.71 0.00 0.00 55.69 53.67 1bj1 s MET 94 Cb -0.16 -1.13 -0.04 0.00 2.01 0.00 0.00 34.83 35.51 1bj1 s MET 94 CO 0.13 0.31 0.08 0.45 -0.01 0.00 0.00 175.02 175.98 1bj1 s SER 95 N -0.42 5.87 0.08 3.03 0.15 -1.26 -0.44 113.70 120.70 1bj1 s SER 95 Ca 0.05 0.32 0.05 0.00 0.70 0.00 0.00 55.95 57.07 1bj1 s SER 95 Cb -0.06 -1.81 -0.03 0.00 -1.71 0.00 0.00 66.02 62.41 1bj1 s SER 95 CO -0.00 0.39 -0.13 -0.36 1.20 0.00 0.00 173.24 174.34 1bj1 s PHE 96 N -0.91 1.14 0.02 3.44 0.08 0.17 -4.93 117.98 116.99 1bj1 s PHE 96 Ca 0.14 -0.50 -0.22 0.00 0.12 0.00 0.00 56.93 56.46 1bj1 s PHE 96 Cb -0.12 -0.64 -0.05 0.00 -0.57 0.00 0.00 43.02 41.64 1bj1 s PHE 96 CO 0.03 0.04 0.67 -1.17 -0.10 0.00 0.00 175.22 174.69 1bj1 s LEU 97 N -1.91 4.43 0.43 -0.37 2.96 -1.26 0.45 118.68 123.41 1bj1 s LEU 97 Ca -0.01 1.29 0.06 0.00 -0.22 0.00 0.00 54.13 55.25 1bj1 s LEU 97 Cb -0.08 -3.05 -0.06 0.00 0.50 0.00 0.00 46.19 43.49 1bj1 s LEU 97 CO 0.02 0.07 0.04 -1.10 -1.32 0.00 0.00 176.35 174.06 1bj1 s GLN 98 N -0.15 2.05 -0.16 1.98 -0.21 0.24 -4.82 119.66 118.59 1bj1 s GLN 98 Ca 0.34 -2.12 0.00 0.00 0.02 0.00 0.00 55.36 53.60 1bj1 s GLN 98 Cb -0.19 -1.68 0.03 0.00 1.00 0.00 0.00 33.01 32.17 1bj1 s GLN 98 CO 0.20 -0.13 -0.11 -1.01 -2.12 0.00 0.00 175.29 172.11 1bj1 s HIS 99 N -2.73 2.11 -0.09 0.91 3.76 -0.70 -2.67 115.29 115.89 1bj1 s HIS 99 Ca 0.31 -1.26 0.15 0.00 -0.15 0.00 0.00 55.06 54.11 1bj1 s HIS 99 Cb 0.07 -1.54 -0.19 0.00 1.11 0.00 0.00 32.58 32.04 1bj1 s HIS 99 CO 0.16 -0.67 0.70 0.09 -0.85 0.00 0.00 174.74 174.17 1bj1 n ASN 100 N 4.78 0.80 -3.84 1.40 5.03 0.34 -4.57 115.26 119.20 1bj1 n ASN 100 Ca -0.15 0.37 -0.12 0.00 0.87 0.00 0.00 54.58 55.54 1bj1 n ASN 100 Cb 0.49 0.13 -0.13 0.00 -1.02 0.00 0.00 39.78 39.25 1bj1 n ASN 100 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1bj1 s LYS 101 N -2.76 0.12 0.19 3.52 2.20 -0.67 -4.89 119.74 117.45 1bj1 s LYS 101 Ca -0.04 0.11 0.09 0.00 -0.36 0.00 0.00 55.97 55.77 1bj1 s LYS 101 Cb 0.08 0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.42 1bj1 s LYS 101 CO 0.82 -0.02 -0.19 0.00 -0.36 0.00 0.00 175.35 175.60 1bj1 s GLU 103 N -2.90 0.52 -0.35 0.00 2.02 0.38 -4.79 118.70 113.57 1bj1 s GLU 103 Ca 0.19 0.75 -0.29 0.00 0.02 0.00 0.00 54.97 55.64 1bj1 s GLU 103 Cb -0.06 0.17 -0.00 0.00 0.10 0.00 0.00 34.13 34.34 1bj1 s GLU 103 CO 0.08 -0.10 1.51 0.00 0.02 0.00 0.00 175.26 176.77 1bj1 s ARG 105 N 4.96 1.42 0.49 0.00 3.00 0.72 -4.82 118.95 124.71 1bj1 s ARG 105 Ca 0.66 -1.14 -0.23 0.00 0.00 0.00 0.00 55.73 55.02 1bj1 s ARG 105 Cb -0.17 -1.68 -0.07 0.00 0.00 0.00 0.00 34.95 33.02 1bj1 s ARG 105 CO 0.31 0.41 1.27 -2.30 0.00 0.00 0.00 175.30 175.00 1bj1 n PRO 106 N 1.40 1.75 0.00 3.54 -0.02 -1.26 -0.07 135.00 140.34 1bj1 n PRO 106 Ca -0.18 0.63 0.14 0.00 -2.02 0.00 0.00 63.50 62.07 1bj1 n PRO 106 Cb 0.53 -2.44 0.82 0.00 -0.02 0.00 0.00 33.50 32.39 1bj1 n PRO 106 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11