#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 4.90 0.47 2.52 1.01 -1.26 -5.02 120.40 123.03 1bj1 s VAL 15 Ca 0.00 1.84 -0.23 0.00 0.00 0.00 0.00 61.98 63.59 1bj1 s VAL 15 Cb 0.00 -4.22 -0.07 0.00 0.00 0.00 0.00 36.38 32.09 1bj1 s VAL 15 CO 0.00 0.14 1.25 -0.54 0.00 0.00 0.00 175.10 175.95 1bj1 s LYS 16 N 1.26 3.62 0.23 2.72 -0.14 -1.26 -4.81 119.74 121.36 1bj1 s LYS 16 Ca 0.46 1.99 -0.07 0.00 -1.36 0.00 0.00 55.97 56.98 1bj1 s LYS 16 Cb -0.19 -2.44 0.39 0.00 -1.68 0.00 0.00 37.83 33.91 1bj1 s LYS 16 CO 0.22 -0.73 1.67 0.35 -0.76 0.00 0.00 175.35 176.10 1bj1 h PHE 17 N 2.01 0.12 -0.98 3.18 3.57 -1.99 -0.79 116.94 122.07 1bj1 h PHE 17 Ca -0.50 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.06 1bj1 h PHE 17 Cb 1.26 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 40.01 1bj1 h PHE 17 CO 0.51 -0.13 0.65 1.98 -2.23 0.00 0.00 178.31 179.08 1bj1 h MET 18 N 0.19 1.27 -0.29 1.11 4.05 -1.99 0.09 114.93 119.36 1bj1 h MET 18 Ca 0.38 -0.08 -0.08 0.00 -0.28 0.00 0.00 59.70 59.64 1bj1 h MET 18 Cb 0.63 -0.29 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 1bj1 h MET 18 CO -0.53 0.84 -0.15 -0.44 0.23 0.00 0.00 176.91 176.86 1bj1 h ASP 19 N 1.30 0.63 -0.34 1.39 3.32 -1.60 -1.07 116.42 120.06 1bj1 h ASP 19 Ca 0.37 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 1bj1 h ASP 19 Cb -0.12 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 1bj1 h ASP 19 CO -0.09 0.90 0.06 0.58 -1.72 0.00 0.00 179.24 178.97 1bj1 h VAL 20 N 0.35 1.23 -0.04 -1.35 2.07 -0.91 -2.10 116.25 115.50 1bj1 h VAL 20 Ca 0.06 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 66.77 1bj1 h VAL 20 Cb 0.67 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1bj1 h VAL 20 CO 0.04 0.27 -0.01 0.22 0.02 0.00 0.00 177.57 178.12 1bj1 h TYR 21 N 0.40 -0.02 -0.56 1.57 5.03 -0.92 -2.78 116.97 119.69 1bj1 h TYR 21 Ca 0.10 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.38 1bj1 h TYR 21 Cb 0.35 0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.62 1bj1 h TYR 21 CO 0.02 -0.02 0.21 1.96 -1.32 0.00 0.00 178.16 179.01 1bj1 h GLN 22 N 0.00 0.82 0.00 1.82 4.20 -1.15 -2.85 115.11 117.95 1bj1 h GLN 22 Ca 0.02 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1bj1 h GLN 22 Cb 0.03 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 1bj1 h GLN 22 CO -0.04 0.69 -0.01 0.00 -0.67 0.00 0.00 178.83 178.80 1bj1 h ARG 23 N 0.81 0.00 -0.04 1.46 3.08 -1.20 -3.24 114.38 115.25 1bj1 h ARG 23 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1bj1 h ARG 23 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1bj1 h ARG 23 CO -0.01 0.01 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 1bj1 n SER 24 N -3.11 2.02 -4.75 7.04 3.41 -1.06 -5.01 113.62 112.16 1bj1 n SER 24 Ca 0.01 -1.51 -0.40 0.00 -0.26 0.00 0.00 58.87 56.71 1bj1 n SER 24 Cb 0.36 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.24 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 -0.95 3.85 -0.03 7.33 5.04 -1.09 -0.68 117.35 130.83 1bj1 s TYR 25 Ca 0.14 1.83 -0.02 0.00 -2.44 0.00 0.00 57.07 56.58 1bj1 s TYR 25 Cb 0.10 -3.08 -0.01 0.00 0.35 0.00 0.00 41.96 39.32 1bj1 s TYR 25 CO 0.14 0.13 0.11 0.00 -1.34 0.00 0.00 175.55 174.59 1bj1 s HIS 27 N 0.32 -0.15 -0.38 0.00 -3.43 -0.34 -4.78 115.29 106.53 1bj1 s HIS 27 Ca 0.06 -0.28 -0.27 0.00 -0.80 0.00 0.00 55.06 53.76 1bj1 s HIS 27 Cb -0.07 0.70 0.02 0.00 -1.43 0.00 0.00 32.58 31.80 1bj1 s HIS 27 CO 0.03 -1.15 1.01 -2.14 -2.00 0.00 0.00 174.74 170.49 1bj1 s PRO 28 N -3.63 3.87 0.03 -0.38 0.02 -1.26 -1.45 135.00 132.20 1bj1 s PRO 28 Ca 0.12 0.70 0.08 0.00 0.02 0.00 0.00 61.00 61.91 1bj1 s PRO 28 Cb -0.05 -3.81 -0.03 0.00 0.02 0.00 0.00 34.50 30.63 1bj1 s PRO 28 CO 0.06 -1.03 -0.21 -1.50 -0.33 0.00 0.00 177.00 173.99 1bj1 s ILE 29 N 3.73 2.59 0.07 2.83 2.07 0.22 -4.83 121.20 127.88 1bj1 s ILE 29 Ca 0.42 -1.21 -0.31 0.00 -1.41 0.00 0.00 60.65 58.14 1bj1 s ILE 29 Cb -0.11 -2.05 -0.09 0.00 0.13 0.00 0.00 42.46 40.34 1bj1 s ILE 29 CO 0.21 0.37 1.74 -0.70 -1.91 0.00 0.00 174.94 174.65 1bj1 s GLU 30 N -1.30 4.17 -0.06 3.50 2.12 -1.26 -1.95 118.70 123.92 1bj1 s GLU 30 Ca 0.13 2.43 0.03 0.00 0.36 0.00 0.00 54.97 57.92 1bj1 s GLU 30 Cb -0.10 -3.71 0.01 0.00 0.26 0.00 0.00 34.13 30.59 1bj1 s GLU 30 CO 0.04 -0.80 -0.15 0.99 -0.54 0.00 0.00 175.26 174.80 1bj1 s THR 31 N 3.03 1.29 -0.47 -1.70 2.01 0.05 -4.95 115.64 114.90 1bj1 s THR 31 Ca 0.78 -0.60 -0.24 0.00 0.31 0.00 0.00 61.69 61.93 1bj1 s THR 31 Cb -0.41 -1.15 0.03 0.00 0.01 0.00 0.00 72.50 70.98 1bj1 s THR 31 CO 0.34 0.39 0.88 -0.76 -0.69 0.00 0.00 174.62 174.78 1bj1 s LEU 32 N 0.41 4.11 -0.04 4.42 1.43 -1.26 -0.19 118.68 127.56 1bj1 s LEU 32 Ca -0.11 -0.04 -0.07 0.00 -1.03 0.00 0.00 54.13 52.88 1bj1 s LEU 32 Cb -0.14 -3.06 -0.05 0.00 0.03 0.00 0.00 46.19 42.97 1bj1 s LEU 32 CO 0.04 -1.03 0.24 -0.69 0.23 0.00 0.00 176.35 175.13 1bj1 s VAL 33 N 3.62 5.35 -0.11 -1.59 1.01 0.76 -4.88 120.40 124.56 1bj1 s VAL 33 Ca 0.34 0.23 -0.27 0.00 0.00 0.00 0.00 61.98 62.27 1bj1 s VAL 33 Cb -0.11 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1bj1 s VAL 33 CO 0.24 0.47 0.89 -0.62 0.00 0.00 0.00 175.10 176.08 1bj1 s ASP 34 N -1.44 7.11 0.23 3.32 2.15 -1.26 -0.85 116.67 125.93 1bj1 s ASP 34 Ca 0.23 1.36 -0.08 0.00 0.43 0.00 0.00 52.55 54.49 1bj1 s ASP 34 Cb -0.13 -2.50 0.25 0.00 -0.30 0.00 0.00 42.92 40.24 1bj1 s ASP 34 CO 0.12 -0.35 1.86 0.40 -0.17 0.00 0.00 175.17 177.03 1bj1 h ILE 35 N 5.04 1.10 0.00 4.11 2.04 -1.76 -2.39 117.51 125.65 1bj1 h ILE 35 Ca -0.33 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1bj1 h ILE 35 Cb 1.16 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1bj1 h ILE 35 CO 0.82 0.18 -0.04 0.15 0.00 0.00 0.00 178.15 179.25 1bj1 h PHE 36 N 0.97 0.00 0.01 1.37 3.57 -1.81 -0.09 116.94 120.96 1bj1 h PHE 36 Ca 0.33 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.63 1bj1 h PHE 36 Cb 0.05 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1bj1 h PHE 36 CO -0.03 0.04 -0.91 -0.56 -2.23 0.00 0.00 178.31 174.62 1bj1 h GLN 37 N 0.00 0.07 -0.03 1.11 3.07 -1.83 -2.58 115.11 114.93 1bj1 h GLN 37 Ca -0.00 -0.09 -0.19 0.00 0.09 0.00 0.00 58.65 58.46 1bj1 h GLN 37 Cb 0.54 0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.12 1bj1 h GLN 37 CO 0.01 0.93 -0.82 0.93 0.09 0.00 0.00 178.83 179.97 1bj1 h GLU 38 N 0.03 0.29 -2.64 0.06 4.39 -1.09 -3.37 114.58 112.26 1bj1 h GLU 38 Ca -0.03 -0.28 -0.60 0.00 0.34 0.00 0.00 59.36 58.79 1bj1 h GLU 38 Cb 1.58 0.07 -0.40 0.00 -0.10 0.00 0.00 28.75 29.90 1bj1 h GLU 38 CO 0.13 0.96 -0.77 0.66 -1.16 0.00 0.00 179.01 178.83 1bj1 n TYR 39 N -3.75 1.38 0.74 4.33 4.01 -0.11 -4.95 117.16 118.81 1bj1 n TYR 39 Ca -0.04 -3.85 0.06 0.00 -0.16 0.00 0.00 57.90 53.91 1bj1 n TYR 39 Cb 0.76 -0.25 0.36 0.00 -0.31 0.00 0.00 39.34 39.91 1bj1 n TYR 39 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1bj1 n PRO 40 N 2.17 0.32 -0.13 -0.72 -0.04 -0.98 -2.34 135.00 133.28 1bj1 n PRO 40 Ca 0.25 0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.89 1bj1 n PRO 40 Cb 0.42 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.11 3.33 -2.74 3.54 8.00 -1.26 -4.44 116.55 121.86 1bj1 n ASP 41 Ca 0.08 -1.99 -0.34 0.00 0.71 0.00 0.00 54.79 53.25 1bj1 n ASP 41 Cb 0.07 -0.17 -0.01 0.00 -0.02 0.00 0.00 41.12 40.99 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 1.45 2.69 0.16 -1.24 -0.58 -0.99 -4.76 120.64 117.37 1bj1 n GLU 42 Ca 0.18 -2.98 0.05 0.00 -0.42 0.00 0.00 57.16 53.98 1bj1 n GLU 42 Cb 0.61 -2.22 0.50 0.00 -0.57 0.00 0.00 31.44 29.75 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 2.02 1.10 -0.12 -3.67 5.03 -1.84 -3.11 117.51 116.91 1bj1 h ILE 43 Ca 0.49 -0.37 0.00 0.00 -0.12 0.00 0.00 64.86 64.85 1bj1 h ILE 43 Cb 0.37 1.01 0.00 0.00 -3.03 0.00 0.00 36.82 35.17 1bj1 h ILE 43 CO 1.16 0.12 0.00 -1.84 -0.68 0.00 0.00 178.15 176.92 1bj1 n GLU 44 N -4.41 1.99 -4.00 2.37 0.00 -1.26 -4.96 120.64 110.37 1bj1 n GLU 44 Ca -0.01 -1.47 -0.24 0.00 0.00 0.00 0.00 57.16 55.45 1bj1 n GLU 44 Cb 0.16 -1.46 -0.03 0.00 0.00 0.00 0.00 31.44 30.11 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 -1.86 3.36 -0.11 -1.84 2.02 -1.18 -4.54 117.35 113.20 1bj1 s TYR 45 Ca 0.34 0.02 0.03 0.00 -0.37 0.00 0.00 57.07 57.09 1bj1 s TYR 45 Cb 0.20 -1.57 -0.00 0.00 -0.40 0.00 0.00 41.96 40.19 1bj1 s TYR 45 CO 0.30 0.49 -0.22 0.42 -1.57 0.00 0.00 175.55 174.98 1bj1 s ILE 46 N -1.87 2.21 -0.02 2.71 1.01 -0.26 -4.95 121.20 120.03 1bj1 s ILE 46 Ca 0.33 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 60.04 1bj1 s ILE 46 Cb -0.10 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 1bj1 s ILE 46 CO 0.27 0.55 -0.01 -0.36 0.00 0.00 0.00 174.94 175.39 1bj1 s PHE 47 N 0.44 3.05 -0.21 3.97 0.08 -1.26 -1.23 117.98 122.82 1bj1 s PHE 47 Ca -0.15 0.07 -0.01 0.00 0.12 0.00 0.00 56.93 56.96 1bj1 s PHE 47 Cb -0.17 -1.68 0.06 0.00 -0.57 0.00 0.00 43.02 40.66 1bj1 s PHE 47 CO 0.06 0.44 -0.00 0.15 -0.10 0.00 0.00 175.22 175.77 1bj1 s LYS 48 N -1.39 1.06 0.72 0.44 -0.14 -0.69 -3.31 119.74 116.44 1bj1 s LYS 48 Ca 0.18 -0.67 -0.11 0.00 -1.36 0.00 0.00 55.97 54.00 1bj1 s LYS 48 Cb -0.11 -2.32 0.02 0.00 -1.68 0.00 0.00 37.83 33.74 1bj1 s LYS 48 CO 0.08 -0.63 1.09 -1.25 -0.76 0.00 0.00 175.35 173.88 1bj1 s PRO 49 N 1.66 2.72 0.00 -1.68 0.04 -1.26 -1.42 135.00 135.05 1bj1 s PRO 49 Ca -0.03 0.59 0.29 0.00 0.04 0.00 0.00 61.00 61.89 1bj1 s PRO 49 Cb -0.18 -1.99 1.21 0.00 0.04 0.00 0.00 34.50 33.58 1bj1 s PRO 49 CO -0.07 -1.17 1.86 -1.13 0.04 0.00 0.00 177.00 176.53 1bj1 n SER 50 N -3.12 0.41 -3.91 6.66 3.41 -1.21 -4.84 113.62 111.03 1bj1 n SER 50 Ca 0.07 -0.47 -0.09 0.00 -0.26 0.00 0.00 58.87 58.11 1bj1 n SER 50 Cb 0.56 -0.10 -0.09 0.00 -0.26 0.00 0.00 64.21 64.33 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 -2.75 1.25 -0.61 0.00 -7.23 -0.03 -4.93 120.40 106.10 1bj1 s VAL 52 Ca -0.04 -1.45 -0.26 0.00 -1.81 0.00 0.00 61.98 58.43 1bj1 s VAL 52 Cb -0.00 -1.26 0.04 0.00 0.56 0.00 0.00 36.38 35.72 1bj1 s VAL 52 CO -0.05 -0.25 1.08 -2.16 -0.31 0.00 0.00 175.10 173.41 1bj1 s PRO 53 N -2.00 3.32 -0.00 4.82 0.04 -1.26 -0.17 135.00 139.74 1bj1 s PRO 53 Ca 0.02 -0.20 0.07 0.00 0.04 0.00 0.00 61.00 60.93 1bj1 s PRO 53 Cb -0.09 -4.09 -0.03 0.00 0.04 0.00 0.00 34.50 30.33 1bj1 s PRO 53 CO 0.03 -1.72 -0.20 -0.51 0.04 0.00 0.00 177.00 174.63 1bj1 s LEU 54 N 4.60 2.42 -0.14 -3.56 1.43 0.74 -4.89 118.68 119.27 1bj1 s LEU 54 Ca 0.34 -0.39 -0.29 0.00 -1.03 0.00 0.00 54.13 52.75 1bj1 s LEU 54 Cb -0.11 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.65 1bj1 s LEU 54 CO 0.19 0.30 1.23 -0.04 0.23 0.00 0.00 176.35 178.26 1bj1 s MET 55 N -0.95 4.27 0.05 1.70 -1.94 -1.26 -0.77 119.30 120.40 1bj1 s MET 55 Ca 0.12 1.64 -0.00 0.00 -1.71 0.00 0.00 55.69 55.73 1bj1 s MET 55 Cb -0.10 -3.70 -0.04 0.00 2.01 0.00 0.00 34.83 33.00 1bj1 s MET 55 CO 0.01 -0.63 -0.04 1.03 -0.01 0.00 0.00 175.02 175.39 1bj1 s ARG 56 N 3.15 0.57 0.32 2.03 1.81 -0.82 -1.37 118.95 124.63 1bj1 s ARG 56 Ca 0.54 -1.09 -0.29 0.00 -1.72 0.00 0.00 55.73 53.18 1bj1 s ARG 56 Cb -0.22 0.13 -0.10 0.00 -0.45 0.00 0.00 34.95 34.31 1bj1 s ARG 56 CO 0.16 -0.08 1.29 0.00 -0.68 0.00 0.00 175.30 175.98 1bj1 s GLY 58 N -0.50 0.31 0.00 0.00 0.00 -0.53 -4.87 107.32 101.73 1bj1 s GLY 58 Ca 0.49 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.52 1bj1 s GLY 58 CO 0.51 -0.29 0.00 0.61 0.00 0.00 0.00 173.10 173.93 1bj1 n GLY 59 N -0.51 -3.36 3.55 0.20 0.00 -1.26 -1.20 105.19 102.60 1bj1 n GLY 59 Ca -0.07 -2.13 -0.25 0.00 0.00 0.00 0.00 46.02 43.57 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 -2.17 -3.83 -3.61 0.00 3.02 -1.26 -5.01 115.26 102.40 1bj1 n ASN 62 Ca -0.10 -0.51 -0.03 0.00 -0.03 0.00 0.00 54.58 53.91 1bj1 n ASN 62 Cb 0.58 -4.53 -0.06 0.00 -0.61 0.00 0.00 39.78 35.16 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 -3.77 -0.70 0.00 6.41 -1.08 -1.26 -5.03 116.67 111.24 1bj1 s ASP 63 Ca 0.24 1.07 0.22 0.00 -0.52 0.00 0.00 52.55 53.56 1bj1 s ASP 63 Cb -0.11 1.43 1.00 0.00 -1.46 0.00 0.00 42.92 43.79 1bj1 s ASP 63 CO 0.64 -0.16 1.70 -0.62 0.52 0.00 0.00 175.17 177.25 1bj1 n GLU 64 N 4.23 0.13 -0.06 4.34 -0.58 -1.26 -2.97 120.64 124.47 1bj1 n GLU 64 Ca -0.17 0.11 0.10 0.00 -0.42 0.00 0.00 57.16 56.78 1bj1 n GLU 64 Cb 0.56 -1.50 0.12 0.00 -0.57 0.00 0.00 31.44 30.05 1bj1 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bj1 n GLY 65 N 0.67 0.91 3.44 0.62 0.00 -1.26 -4.98 105.19 104.60 1bj1 n GLY 65 Ca 0.07 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.48 2.59 -0.05 0.99 1.43 -1.16 -1.31 118.68 119.69 1bj1 s LEU 66 Ca 0.26 -1.05 -0.06 0.00 -1.03 0.00 0.00 54.13 52.24 1bj1 s LEU 66 Cb 0.17 -0.95 0.01 0.00 0.03 0.00 0.00 46.19 45.45 1bj1 s LEU 66 CO 0.25 -0.06 0.16 -1.83 0.23 0.00 0.00 176.35 175.09 1bj1 s GLU 67 N -3.57 0.25 -0.28 1.70 -1.05 -0.02 -4.77 118.70 110.96 1bj1 s GLU 67 Ca 0.28 0.09 -0.29 0.00 -0.15 0.00 0.00 54.97 54.90 1bj1 s GLU 67 Cb -0.03 0.12 0.01 0.00 -0.44 0.00 0.00 34.13 33.79 1bj1 s GLU 67 CO 0.13 -0.04 1.11 0.00 0.95 0.00 0.00 175.26 177.41 1bj1 s VAL 69 N 3.59 0.73 0.03 0.00 -7.23 0.06 -4.90 120.40 112.68 1bj1 s VAL 69 Ca 0.47 -1.17 -0.30 0.00 -1.81 0.00 0.00 61.98 59.17 1bj1 s VAL 69 Cb -0.14 -0.78 -0.06 0.00 0.56 0.00 0.00 36.38 35.96 1bj1 s VAL 69 CO 0.13 -0.34 1.32 -2.16 -0.31 0.00 0.00 175.10 173.74 1bj1 s PRO 70 N -1.67 4.34 0.00 4.82 0.04 -1.26 -0.69 135.00 140.58 1bj1 s PRO 70 Ca -0.07 1.89 0.14 0.00 0.04 0.00 0.00 61.00 63.00 1bj1 s PRO 70 Cb -0.10 -3.45 0.25 0.00 0.04 0.00 0.00 34.50 31.24 1bj1 s PRO 70 CO 0.01 -0.45 1.13 0.25 0.04 0.00 0.00 177.00 177.98 1bj1 n THR 71 N 4.33 0.50 -3.56 1.26 -2.24 0.22 -4.93 114.28 109.86 1bj1 n THR 71 Ca 0.11 -0.75 -0.01 0.00 -2.27 0.00 0.00 64.05 61.13 1bj1 n THR 71 Cb 0.44 0.90 -0.05 0.00 -2.10 0.00 0.00 70.33 69.52 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 -1.09 0.45 0.31 -0.78 2.12 -1.13 -4.86 118.70 113.72 1bj1 s GLU 72 Ca 0.23 0.98 0.07 0.00 0.36 0.00 0.00 54.97 56.60 1bj1 s GLU 72 Cb 0.13 0.42 -0.06 0.00 0.26 0.00 0.00 34.13 34.88 1bj1 s GLU 72 CO 0.19 -0.13 -0.04 -1.21 -0.54 0.00 0.00 175.26 173.53 1bj1 s GLU 73 N 2.17 1.64 0.22 4.30 2.02 -1.26 0.69 118.70 128.48 1bj1 s GLU 73 Ca -0.06 -1.86 -0.22 0.00 0.02 0.00 0.00 54.97 52.85 1bj1 s GLU 73 Cb -0.07 -1.22 0.06 0.00 0.10 0.00 0.00 34.13 33.00 1bj1 s GLU 73 CO -0.18 0.00 0.94 -1.54 0.02 0.00 0.00 175.26 174.50 1bj1 s SER 74 N -3.50 -0.08 0.11 -0.19 1.04 -0.61 -4.81 113.70 105.66 1bj1 s SER 74 Ca 0.32 -0.66 0.08 0.00 0.48 0.00 0.00 55.95 56.16 1bj1 s SER 74 Cb 0.05 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.71 1bj1 s SER 74 CO 0.14 -1.13 -0.13 0.20 0.98 0.00 0.00 173.24 173.30 1bj1 s ASN 75 N -3.13 4.20 -0.01 7.02 -0.87 -1.26 -0.00 114.94 120.89 1bj1 s ASN 75 Ca 0.16 -0.45 0.06 0.00 -1.57 0.00 0.00 52.86 51.06 1bj1 s ASN 75 Cb -0.03 -0.73 -0.01 0.00 -0.02 0.00 0.00 41.25 40.46 1bj1 s ASN 75 CO 0.06 0.18 -0.18 -0.51 -2.57 0.00 0.00 177.10 174.07 1bj1 s ILE 76 N -1.19 1.44 -0.14 0.60 1.10 0.13 -4.92 121.20 118.23 1bj1 s ILE 76 Ca 0.20 -0.80 -0.01 0.00 -0.51 0.00 0.00 60.65 59.53 1bj1 s ILE 76 Cb -0.11 -1.20 -0.02 0.00 0.15 0.00 0.00 42.46 41.28 1bj1 s ILE 76 CO 0.12 0.39 -0.10 -0.89 -2.11 0.00 0.00 174.94 172.36 1bj1 s THR 77 N -0.45 3.34 0.03 4.00 2.01 -1.26 0.40 115.64 123.71 1bj1 s THR 77 Ca 0.07 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.53 1bj1 s THR 77 Cb -0.07 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 1bj1 s THR 77 CO -0.01 0.51 -0.07 -0.04 -0.69 0.00 0.00 174.62 174.33 1bj1 s MET 78 N 0.34 0.47 -0.52 4.92 1.00 -0.10 -4.96 119.30 120.45 1bj1 s MET 78 Ca -0.09 -0.66 -0.26 0.00 0.00 0.00 0.00 55.69 54.68 1bj1 s MET 78 Cb -0.15 -0.22 0.03 0.00 0.00 0.00 0.00 34.83 34.49 1bj1 s MET 78 CO 0.05 0.04 1.04 -0.65 0.00 0.00 0.00 175.02 175.50 1bj1 s GLN 79 N -1.40 3.51 0.00 2.03 -0.21 -1.26 -1.57 119.66 120.76 1bj1 s GLN 79 Ca -0.10 0.14 0.07 0.00 0.02 0.00 0.00 55.36 55.49 1bj1 s GLN 79 Cb -0.09 -3.98 -0.03 0.00 1.00 0.00 0.00 33.01 29.91 1bj1 s GLN 79 CO 0.00 -1.45 -0.20 0.42 -2.12 0.00 0.00 175.29 171.94 1bj1 s ILE 80 N 4.27 2.60 -0.07 1.08 -1.09 -0.87 -4.89 121.20 122.23 1bj1 s ILE 80 Ca 0.39 -1.08 -0.20 0.00 -2.23 0.00 0.00 60.65 57.53 1bj1 s ILE 80 Cb -0.09 -2.03 -0.04 0.00 -1.58 0.00 0.00 42.46 38.72 1bj1 s ILE 80 CO 0.25 0.46 0.56 -0.32 -1.23 0.00 0.00 174.94 174.66 1bj1 s MET 81 N -1.04 4.34 -0.03 2.79 1.75 -0.51 -2.81 119.30 123.79 1bj1 s MET 81 Ca 0.12 0.62 0.01 0.00 -1.25 0.00 0.00 55.69 55.19 1bj1 s MET 81 Cb -0.10 -3.41 -0.03 0.00 2.84 0.00 0.00 34.83 34.13 1bj1 s MET 81 CO 0.02 0.21 -0.03 1.03 -0.65 0.00 0.00 175.02 175.61 1bj1 s ARG 82 N 0.38 2.76 -0.09 4.11 0.52 -0.26 -1.70 118.95 124.68 1bj1 s ARG 82 Ca 0.30 -0.58 -0.02 0.00 -0.52 0.00 0.00 55.73 54.90 1bj1 s ARG 82 Cb -0.17 -2.64 0.04 0.00 0.52 0.00 0.00 34.95 32.70 1bj1 s ARG 82 CO 0.14 0.64 0.05 0.42 0.02 0.00 0.00 175.30 176.57 1bj1 s ILE 83 N -0.97 0.11 -0.35 1.52 1.01 -0.37 -2.23 121.20 119.93 1bj1 s ILE 83 Ca 0.16 0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.83 1bj1 s ILE 83 Cb -0.11 -0.45 0.03 0.00 0.01 0.00 0.00 42.46 41.93 1bj1 s ILE 83 CO 0.06 0.07 0.16 -0.75 0.00 0.00 0.00 174.94 174.49 1bj1 s LYS 84 N 2.07 2.85 0.12 2.79 2.20 -0.42 -1.10 119.74 128.25 1bj1 s LYS 84 Ca 0.04 -1.05 -0.35 0.00 -0.36 0.00 0.00 55.97 54.25 1bj1 s LYS 84 Cb -0.13 -3.61 -0.15 0.00 -1.51 0.00 0.00 37.83 32.43 1bj1 s LYS 84 CO -0.05 -0.64 1.49 -2.30 -0.36 0.00 0.00 175.35 173.49 1bj1 n PRO 85 N 4.93 1.75 -0.22 4.03 -0.02 -1.26 -1.40 135.00 142.81 1bj1 n PRO 85 Ca -0.12 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1bj1 n PRO 85 Cb 0.46 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1bj1 n PRO 85 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1bj1 n HIS 86 N 3.13 0.00 -0.02 6.00 8.25 -1.26 -4.83 115.22 126.50 1bj1 n HIS 86 Ca 0.18 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.58 1bj1 n HIS 86 Cb 0.25 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.30 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 -2.00 0.22 -3.82 -0.41 6.02 -0.50 -5.14 117.38 111.75 1bj1 n GLN 87 Ca 0.00 0.09 -0.05 0.00 -0.01 0.00 0.00 57.00 57.03 1bj1 n GLN 87 Cb 0.00 -0.88 0.00 0.00 1.02 0.00 0.00 30.24 30.39 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 -4.55 0.02 -0.26 1.08 0.00 -0.91 -5.01 107.32 97.70 1bj1 s GLY 88 Ca -0.13 -0.26 -0.16 0.00 0.00 0.00 0.00 44.72 44.18 1bj1 s GLY 88 CO 0.18 0.76 0.64 1.62 0.00 0.00 0.00 173.10 176.29 1bj1 s GLN 89 N -2.77 0.66 -0.23 2.90 0.74 -1.26 -1.31 119.66 118.40 1bj1 s GLN 89 Ca 0.16 1.11 -0.36 0.00 0.05 0.00 0.00 55.36 56.32 1bj1 s GLN 89 Cb -0.03 0.15 0.15 0.00 1.10 0.00 0.00 33.01 34.38 1bj1 s GLN 89 CO 0.06 -0.14 1.27 -3.38 -0.55 0.00 0.00 175.29 172.55 1bj1 s HIS 90 N 1.40 -0.09 0.17 1.67 -3.43 -0.94 -5.03 115.29 109.04 1bj1 s HIS 90 Ca -0.08 0.06 0.03 0.00 -0.80 0.00 0.00 55.06 54.27 1bj1 s HIS 90 Cb -0.06 0.51 -0.03 0.00 -1.43 0.00 0.00 32.58 31.57 1bj1 s HIS 90 CO -0.16 -0.13 0.29 0.96 -2.00 0.00 0.00 174.74 173.70 1bj1 s ILE 91 N -2.17 5.28 0.05 -5.38 -4.36 -1.26 -1.10 121.20 112.25 1bj1 s ILE 91 Ca 0.10 -0.76 -0.14 0.00 -0.26 0.00 0.00 60.65 59.60 1bj1 s ILE 91 Cb -0.01 -3.74 0.05 0.00 1.25 0.00 0.00 42.46 40.00 1bj1 s ILE 91 CO -0.04 -0.13 0.63 0.61 0.24 0.00 0.00 174.94 176.25 1bj1 n GLY 92 N -0.69 0.68 3.75 6.27 0.00 -1.12 -4.99 105.19 109.09 1bj1 n GLY 92 Ca -0.07 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.02 4.34 -0.00 1.61 2.02 -1.26 -2.04 118.70 121.34 1bj1 s GLU 93 Ca 0.14 0.72 0.04 0.00 0.02 0.00 0.00 54.97 55.90 1bj1 s GLU 93 Cb -0.01 -3.37 -0.01 0.00 0.10 0.00 0.00 34.13 30.84 1bj1 s GLU 93 CO 0.02 0.29 -0.13 -1.64 0.02 0.00 0.00 175.26 173.82 1bj1 s MET 94 N 0.09 0.99 -0.15 1.61 -1.94 -0.61 -4.97 119.30 114.32 1bj1 s MET 94 Ca 0.32 -0.49 -0.07 0.00 -1.71 0.00 0.00 55.69 53.74 1bj1 s MET 94 Cb -0.18 -0.96 -0.04 0.00 2.01 0.00 0.00 34.83 35.66 1bj1 s MET 94 CO 0.16 0.26 0.10 0.45 -0.01 0.00 0.00 175.02 175.98 1bj1 s SER 95 N -0.42 5.99 0.09 3.03 0.15 -1.26 -0.92 113.70 120.36 1bj1 s SER 95 Ca 0.04 0.27 0.04 0.00 0.70 0.00 0.00 55.95 57.00 1bj1 s SER 95 Cb -0.05 -1.96 -0.03 0.00 -1.71 0.00 0.00 66.02 62.26 1bj1 s SER 95 CO -0.00 0.29 -0.12 -0.36 1.20 0.00 0.00 173.24 174.25 1bj1 s PHE 96 N -0.33 1.13 -0.05 3.44 0.08 0.16 -4.95 117.98 117.47 1bj1 s PHE 96 Ca 0.10 -0.57 -0.23 0.00 0.12 0.00 0.00 56.93 56.35 1bj1 s PHE 96 Cb -0.12 -0.62 -0.04 0.00 -0.57 0.00 0.00 43.02 41.67 1bj1 s PHE 96 CO 0.01 0.04 0.67 -1.17 -0.10 0.00 0.00 175.22 174.67 1bj1 s LEU 97 N -2.18 4.34 0.25 -0.37 2.96 -1.26 0.19 118.68 122.61 1bj1 s LEU 97 Ca 0.03 1.18 0.12 0.00 -0.22 0.00 0.00 54.13 55.23 1bj1 s LEU 97 Cb -0.06 -3.04 -0.05 0.00 0.50 0.00 0.00 46.19 43.54 1bj1 s LEU 97 CO 0.01 -0.07 -0.21 -1.10 -1.32 0.00 0.00 176.35 173.66 1bj1 s GLN 98 N 0.59 1.64 -0.28 1.98 -0.21 1.00 -4.82 119.66 119.56 1bj1 s GLN 98 Ca 0.36 -1.68 -0.03 0.00 0.02 0.00 0.00 55.36 54.03 1bj1 s GLN 98 Cb -0.18 -1.80 0.03 0.00 1.00 0.00 0.00 33.01 32.07 1bj1 s GLN 98 CO 0.18 0.35 -0.01 -1.01 -2.12 0.00 0.00 175.29 172.68 1bj1 s HIS 99 N -2.23 3.17 -0.09 0.91 3.76 -0.47 -1.57 115.29 118.77 1bj1 s HIS 99 Ca 0.27 -1.60 0.14 0.00 -0.15 0.00 0.00 55.06 53.72 1bj1 s HIS 99 Cb -0.06 -2.12 -0.09 0.00 1.11 0.00 0.00 32.58 31.42 1bj1 s HIS 99 CO 0.13 -0.74 1.07 -0.91 -0.85 0.00 0.00 174.74 173.45 1bj1 h ASN 100 N 8.05 0.00 -3.67 1.40 4.21 -0.06 -3.41 115.58 122.10 1bj1 h ASN 100 Ca -0.27 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.05 1bj1 h ASN 100 Cb 1.09 0.00 -0.28 0.00 -1.12 0.00 0.00 38.32 38.01 1bj1 h ASN 100 CO 0.56 0.66 -0.51 -0.75 -1.29 0.00 0.00 177.43 176.11 1bj1 s LYS 101 N -2.87 0.20 0.39 0.81 2.20 -1.01 -4.91 119.74 114.55 1bj1 s LYS 101 Ca -0.00 0.33 0.08 0.00 -0.36 0.00 0.00 55.97 56.02 1bj1 s LYS 101 Cb 0.08 0.03 -0.07 0.00 -1.51 0.00 0.00 37.83 36.37 1bj1 s LYS 101 CO 0.79 -0.07 0.02 0.00 -0.36 0.00 0.00 175.35 175.74 1bj1 s GLU 103 N -3.73 0.67 -0.44 0.00 2.02 0.13 -4.74 118.70 112.61 1bj1 s GLU 103 Ca 0.36 0.81 -0.26 0.00 0.02 0.00 0.00 54.97 55.90 1bj1 s GLU 103 Cb 0.06 0.32 0.02 0.00 0.10 0.00 0.00 34.13 34.63 1bj1 s GLU 103 CO 0.19 -0.08 0.93 0.00 0.02 0.00 0.00 175.26 176.32 1bj1 s ARG 105 N 3.72 1.03 0.22 0.00 1.81 -0.50 -4.86 118.95 120.37 1bj1 s ARG 105 Ca 0.38 -1.24 -0.29 0.00 -1.72 0.00 0.00 55.73 52.85 1bj1 s ARG 105 Cb -0.10 -0.93 -0.16 0.00 -0.45 0.00 0.00 34.95 33.31 1bj1 s ARG 105 CO 0.25 0.18 0.83 -2.30 -0.68 0.00 0.00 175.30 173.58 1bj1 n PRO 106 N 0.54 0.70 0.00 3.54 -0.02 -1.26 -0.84 135.00 137.65 1bj1 n PRO 106 Ca -0.15 0.24 0.08 0.00 -2.02 0.00 0.00 63.50 61.65 1bj1 n PRO 106 Cb 0.57 -1.48 0.47 0.00 -0.02 0.00 0.00 33.50 33.04 1bj1 n PRO 106 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11