#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mjv s VAL 14 N 0.00 0.52 -0.02 3.17 1.01 -1.26 -5.11 120.40 118.71 1mjv s VAL 14 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.48 1mjv s VAL 14 Cb 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 1mjv s VAL 14 CO 0.00 0.18 1.12 -0.69 0.00 0.00 0.00 175.10 175.71 1mjv s VAL 15 N 0.37 4.42 0.32 2.92 1.01 -1.26 -4.99 120.40 123.19 1mjv s VAL 15 Ca -0.05 1.73 -0.28 0.00 0.00 0.00 0.00 61.98 63.39 1mjv s VAL 15 Cb -0.09 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.09 1mjv s VAL 15 CO -0.00 0.06 1.09 -0.54 0.00 0.00 0.00 175.10 175.71 1mjv s LYS 16 N 1.63 4.46 0.31 2.72 -0.14 -1.26 -4.81 119.74 122.65 1mjv s LYS 16 Ca 0.54 1.73 0.03 0.00 -1.36 0.00 0.00 55.97 56.92 1mjv s LYS 16 Cb -0.24 -2.97 0.80 0.00 -1.68 0.00 0.00 37.83 33.74 1mjv s LYS 16 CO 0.24 0.07 1.58 0.35 -0.76 0.00 0.00 175.35 176.83 1mjv h PHE 17 N 3.35 0.07 -0.67 3.18 3.57 -1.98 0.19 116.94 124.64 1mjv h PHE 17 Ca -0.47 0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.05 1mjv h PHE 17 Cb 1.21 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 40.05 1mjv h PHE 17 CO 0.58 -0.41 0.26 0.52 -2.23 0.00 0.00 178.31 177.03 1mjv h MET 18 N 0.03 0.99 -0.32 1.11 2.86 -1.99 0.31 114.93 117.92 1mjv h MET 18 Ca 0.61 -0.17 -0.09 0.00 -2.06 0.00 0.00 59.70 58.00 1mjv h MET 18 Cb 1.31 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 1mjv h MET 18 CO -0.88 0.81 -0.14 -0.44 1.06 0.00 0.00 176.91 177.32 1mjv h ASP 19 N 0.97 0.68 -0.44 1.22 5.19 -1.07 -1.91 116.42 121.07 1mjv h ASP 19 Ca 0.23 -0.40 -0.00 0.00 -0.62 0.00 0.00 57.03 56.23 1mjv h ASP 19 Cb 0.19 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1mjv h ASP 19 CO -0.02 0.93 0.26 0.58 -3.12 0.00 0.00 179.24 177.87 1mjv h VAL 20 N 0.44 1.15 -0.26 -1.35 2.07 -0.65 -2.05 116.25 115.59 1mjv h VAL 20 Ca 0.07 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1mjv h VAL 20 Cb 0.67 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1mjv h VAL 20 CO 0.04 0.15 0.12 0.22 0.02 0.00 0.00 177.57 178.13 1mjv h TYR 21 N 0.58 0.38 -0.69 1.57 3.20 -0.31 -1.22 116.97 120.49 1mjv h TYR 21 Ca 0.16 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 1mjv h TYR 21 Cb 0.02 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 1mjv h TYR 21 CO -0.03 0.37 0.28 1.96 -1.64 0.00 0.00 178.16 179.10 1mjv h GLN 22 N 0.29 1.03 0.00 1.82 4.20 -1.24 -1.15 115.11 120.05 1mjv h GLN 22 Ca 0.09 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1mjv h GLN 22 Cb 0.13 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1mjv h GLN 22 CO -0.01 0.85 0.00 0.00 -0.67 0.00 0.00 178.83 179.00 1mjv h ARG 23 N 0.98 0.00 -0.02 1.46 3.08 -1.24 -2.71 114.38 115.92 1mjv h ARG 23 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1mjv h ARG 23 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1mjv h ARG 23 CO -0.02 0.00 -0.18 0.43 -1.07 0.00 0.00 179.97 179.13 1mjv n SER 24 N -2.90 2.17 -4.77 7.04 7.64 -0.47 -4.95 113.62 117.37 1mjv n SER 24 Ca 0.02 -1.61 -0.38 0.00 1.01 0.00 0.00 58.87 57.91 1mjv n SER 24 Cb 0.36 0.17 -0.06 0.00 -1.01 0.00 0.00 64.21 63.67 1mjv n SER 24 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1mjv s TYR 25 N -2.22 3.73 -0.18 1.43 6.14 -0.48 -0.48 117.35 125.28 1mjv s TYR 25 Ca 0.26 1.80 -0.17 0.00 0.64 0.00 0.00 57.07 59.61 1mjv s TYR 25 Cb 0.19 -3.02 -0.07 0.00 0.42 0.00 0.00 41.96 39.49 1mjv s TYR 25 CO 0.42 0.10 0.71 0.00 0.64 0.00 0.00 175.55 177.42 1mjv s HIS 27 N 1.78 -0.09 0.11 0.00 -3.43 -0.01 -4.84 115.29 108.80 1mjv s HIS 27 Ca 0.42 -0.36 -0.30 0.00 -0.80 0.00 0.00 55.06 54.01 1mjv s HIS 27 Cb -0.55 0.72 -0.07 0.00 -1.43 0.00 0.00 32.58 31.25 1mjv s HIS 27 CO 0.27 -1.18 1.21 -2.14 -2.00 0.00 0.00 174.74 170.90 1mjv s PRO 28 N -3.32 4.45 -0.03 -0.38 0.02 -1.26 -1.53 135.00 132.95 1mjv s PRO 28 Ca 0.13 1.83 0.02 0.00 0.02 0.00 0.00 61.00 63.00 1mjv s PRO 28 Cb -0.04 -3.30 0.01 0.00 0.02 0.00 0.00 34.50 31.18 1mjv s PRO 28 CO 0.07 -0.21 -0.08 0.42 -0.33 0.00 0.00 177.00 176.87 1mjv s ILE 29 N 0.65 0.70 0.03 2.83 1.01 0.31 -4.86 121.20 121.88 1mjv s ILE 29 Ca 0.57 -0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.62 1mjv s ILE 29 Cb -0.31 -0.64 -0.08 0.00 0.01 0.00 0.00 42.46 41.44 1mjv s ILE 29 CO 0.32 0.23 1.69 -0.70 0.00 0.00 0.00 174.94 176.48 1mjv s GLU 30 N 0.32 4.19 -0.01 2.79 2.12 -1.26 -0.92 118.70 125.92 1mjv s GLU 30 Ca -0.05 2.33 0.03 0.00 0.36 0.00 0.00 54.97 57.65 1mjv s GLU 30 Cb -0.09 -3.77 -0.01 0.00 0.26 0.00 0.00 34.13 30.52 1mjv s GLU 30 CO 0.00 -0.79 -0.10 0.99 -0.54 0.00 0.00 175.26 174.82 1mjv s THR 31 N 3.22 0.80 -0.18 -1.70 2.01 0.11 -4.89 115.64 115.01 1mjv s THR 31 Ca 0.76 -0.45 -0.29 0.00 0.31 0.00 0.00 61.69 62.01 1mjv s THR 31 Cb -0.39 -0.67 -0.00 0.00 0.01 0.00 0.00 72.50 71.45 1mjv s THR 31 CO 0.33 0.21 1.08 -0.76 -0.69 0.00 0.00 174.62 174.79 1mjv s LEU 32 N -0.27 4.15 -0.14 4.42 1.43 -1.26 -0.02 118.68 126.99 1mjv s LEU 32 Ca 0.04 1.49 0.02 0.00 -1.03 0.00 0.00 54.13 54.65 1mjv s LEU 32 Cb -0.04 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.64 1mjv s LEU 32 CO -0.00 -0.64 -0.21 -0.69 0.23 0.00 0.00 176.35 175.04 1mjv s VAL 33 N 2.96 2.15 0.07 -1.59 1.01 0.29 -4.89 120.40 120.40 1mjv s VAL 33 Ca 0.47 -0.95 -0.31 0.00 0.00 0.00 0.00 61.98 61.19 1mjv s VAL 33 Cb -0.17 -1.86 -0.09 0.00 0.00 0.00 0.00 36.38 34.26 1mjv s VAL 33 CO 0.11 0.55 1.77 -0.62 0.00 0.00 0.00 175.10 176.90 1mjv s ASP 34 N 0.73 6.52 0.12 3.32 2.15 -1.26 -1.60 116.67 126.64 1mjv s ASP 34 Ca -0.09 2.58 -0.21 0.00 0.43 0.00 0.00 52.55 55.27 1mjv s ASP 34 Cb -0.16 -2.55 -0.07 0.00 -0.30 0.00 0.00 42.92 39.84 1mjv s ASP 34 CO 0.00 -0.96 1.73 0.40 -0.17 0.00 0.00 175.17 176.17 1mjv h ILE 35 N 5.01 0.92 -0.47 4.11 1.08 -1.41 -2.40 117.51 124.35 1mjv h ILE 35 Ca -0.45 -0.02 0.02 0.00 -0.39 0.00 0.00 64.86 64.03 1mjv h ILE 35 Cb 1.21 0.85 -0.02 0.00 -3.07 0.00 0.00 36.82 35.79 1mjv h ILE 35 CO 0.94 0.01 0.31 0.15 -0.69 0.00 0.00 178.15 178.87 1mjv h PHE 36 N 0.06 0.52 -0.42 1.37 3.57 -1.86 0.51 116.94 120.70 1mjv h PHE 36 Ca 0.06 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1mjv h PHE 36 Cb 0.07 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 1mjv h PHE 36 CO -0.14 0.31 0.18 0.37 -2.23 0.00 0.00 178.31 176.81 1mjv h GLN 37 N 0.55 0.58 0.00 1.11 4.15 -1.82 -1.70 115.11 117.98 1mjv h GLN 37 Ca 0.18 -0.07 -0.16 0.00 0.77 0.00 0.00 58.65 59.37 1mjv h GLN 37 Cb 0.06 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 1mjv h GLN 37 CO -0.04 0.47 -0.94 0.93 -1.93 0.00 0.00 178.83 177.31 1mjv h GLU 38 N 0.58 0.00 -2.25 1.69 4.39 -0.77 -3.37 114.58 114.86 1mjv h GLU 38 Ca 0.15 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.26 1mjv h GLU 38 Cb 0.09 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 28.32 1mjv h GLU 38 CO -0.02 0.59 -0.66 0.66 -1.16 0.00 0.00 179.01 178.41 1mjv n TYR 39 N -3.17 3.71 0.29 4.33 4.02 -0.14 -4.94 117.16 121.26 1mjv n TYR 39 Ca -0.03 -4.02 0.17 0.00 -0.01 0.00 0.00 57.90 54.01 1mjv n TYR 39 Cb 0.84 -0.50 0.84 0.00 -0.02 0.00 0.00 39.34 40.50 1mjv n TYR 39 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1mjv h PRO 40 N 3.26 0.00 0.00 -0.72 0.13 -1.50 -2.10 132.00 131.07 1mjv h PRO 40 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1mjv h PRO 40 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1mjv h PRO 40 CO 0.80 0.00 -0.15 -0.25 -0.23 0.00 0.00 178.00 178.17 1mjv n ASP 41 N -3.08 0.17 -3.26 1.44 8.00 -1.26 -4.26 116.55 114.29 1mjv n ASP 41 Ca -0.01 0.28 -0.37 0.00 0.71 0.00 0.00 54.79 55.40 1mjv n ASP 41 Cb 0.39 -0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 41.19 1mjv n ASP 41 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1mjv n GLU 42 N -1.52 4.10 0.24 -1.24 1.02 -0.79 -4.75 120.64 117.70 1mjv n GLU 42 Ca 0.06 -3.12 0.16 0.00 -0.02 0.00 0.00 57.16 54.25 1mjv n GLU 42 Cb 0.34 -2.55 0.85 0.00 -0.02 0.00 0.00 31.44 30.06 1mjv n GLU 42 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1mjv h ILE 43 N 2.51 0.00 -0.01 -3.67 -2.65 -1.84 -2.73 117.51 109.12 1mjv h ILE 43 Ca 0.65 -0.07 0.00 0.00 1.03 0.00 0.00 64.86 66.48 1mjv h ILE 43 Cb 0.40 0.83 0.00 0.00 -2.05 0.00 0.00 36.82 36.00 1mjv h ILE 43 CO 1.37 0.00 -0.30 -0.62 0.03 0.00 0.00 178.15 178.62 1mjv n GLU 44 N -2.66 0.91 -4.02 0.16 1.02 -1.26 -4.96 120.64 109.83 1mjv n GLU 44 Ca -0.02 -0.59 -0.30 0.00 -0.02 0.00 0.00 57.16 56.24 1mjv n GLU 44 Cb 0.09 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 29.97 1mjv n GLU 44 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1mjv s TYR 45 N -2.50 3.28 -0.06 -0.32 1.51 -1.03 -4.49 117.35 113.74 1mjv s TYR 45 Ca 0.23 0.11 0.05 0.00 -1.01 0.00 0.00 57.07 56.44 1mjv s TYR 45 Cb 0.19 -1.64 -0.02 0.00 -0.11 0.00 0.00 41.96 40.38 1mjv s TYR 45 CO 0.53 0.54 -0.20 0.42 -1.11 0.00 0.00 175.55 175.73 1mjv s ILE 46 N -1.50 2.50 0.03 2.71 -1.09 -0.15 -4.97 121.20 118.72 1mjv s ILE 46 Ca 0.31 -0.91 0.04 0.00 -2.23 0.00 0.00 60.65 57.87 1mjv s ILE 46 Cb -0.12 -1.95 -0.03 0.00 -1.58 0.00 0.00 42.46 38.78 1mjv s ILE 46 CO 0.24 0.57 -0.08 -0.36 -1.23 0.00 0.00 174.94 174.08 1mjv s PHE 47 N -0.28 2.84 -0.09 3.97 0.40 -1.26 -0.99 117.98 122.58 1mjv s PHE 47 Ca 0.01 -0.08 -0.01 0.00 -0.60 0.00 0.00 56.93 56.25 1mjv s PHE 47 Cb -0.13 -1.56 0.03 0.00 0.51 0.00 0.00 43.02 41.86 1mjv s PHE 47 CO 0.03 0.38 -0.04 0.21 0.70 0.00 0.00 175.22 176.50 1mjv s LYS 48 N -1.60 1.04 0.81 0.44 2.20 -0.19 -2.44 119.74 120.01 1mjv s LYS 48 Ca 0.18 -0.08 -0.11 0.00 -0.36 0.00 0.00 55.97 55.61 1mjv s LYS 48 Cb -0.11 -1.24 0.08 0.00 -1.51 0.00 0.00 37.83 35.05 1mjv s LYS 48 CO 0.09 -0.26 1.09 -1.25 -0.36 0.00 0.00 175.35 174.66 1mjv s PRO 49 N 1.75 1.95 0.40 4.03 0.04 -1.26 -1.40 135.00 140.51 1mjv s PRO 49 Ca 0.03 1.10 0.21 0.00 0.04 0.00 0.00 61.00 62.39 1mjv s PRO 49 Cb -0.13 -1.87 0.62 0.00 0.04 0.00 0.00 34.50 33.16 1mjv s PRO 49 CO -0.06 -1.84 1.69 0.66 0.04 0.00 0.00 177.00 177.50 1mjv h SER 50 N -1.27 0.00 -4.47 6.66 4.64 -1.89 -3.45 113.55 113.77 1mjv h SER 50 Ca -0.45 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.56 1mjv h SER 50 Cb 1.25 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.10 1mjv h SER 50 CO 0.52 0.28 -0.75 0.00 -0.87 0.00 0.00 176.83 176.01 1mjv s ALA 51 N -3.40 0.63 0.17 5.18 0.00 -1.26 -1.01 121.76 122.06 1mjv s ALA 51 Ca 0.02 -0.64 0.10 0.00 0.00 0.00 0.00 51.96 51.44 1mjv s ALA 51 Cb 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1mjv s ALA 51 CO 0.67 0.05 -0.21 0.14 0.00 0.00 0.00 175.76 176.40 1mjv s VAL 52 N -0.98 2.04 -0.16 0.00 -7.23 -0.63 -4.83 120.40 108.62 1mjv s VAL 52 Ca -0.05 -1.90 -0.27 0.00 -1.81 0.00 0.00 61.98 57.94 1mjv s VAL 52 Cb -0.08 -1.93 -0.01 0.00 0.56 0.00 0.00 36.38 34.93 1mjv s VAL 52 CO 0.00 -0.18 0.92 -2.16 -0.31 0.00 0.00 175.10 173.37 1mjv s PRO 53 N -2.58 4.33 0.00 4.82 0.04 -1.26 -0.55 135.00 139.81 1mjv s PRO 53 Ca 0.16 1.18 0.02 0.00 0.04 0.00 0.00 61.00 62.41 1mjv s PRO 53 Cb -0.07 -3.57 -0.01 0.00 0.04 0.00 0.00 34.50 30.89 1mjv s PRO 53 CO 0.08 -0.36 -0.06 -0.51 0.04 0.00 0.00 177.00 176.18 1mjv s LEU 54 N 2.25 2.05 -0.05 -3.56 1.43 0.97 -4.86 118.68 116.91 1mjv s LEU 54 Ca 0.42 -0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 53.04 1mjv s LEU 54 Cb -0.17 -0.27 -0.05 0.00 0.03 0.00 0.00 46.19 45.73 1mjv s LEU 54 CO 0.13 0.02 1.44 -0.04 0.23 0.00 0.00 176.35 178.14 1mjv s MET 55 N -0.39 4.24 -0.00 1.70 -1.94 -1.26 0.04 119.30 121.69 1mjv s MET 55 Ca 0.00 1.97 -0.01 0.00 -1.71 0.00 0.00 55.69 55.95 1mjv s MET 55 Cb -0.04 -3.72 -0.00 0.00 2.01 0.00 0.00 34.83 33.08 1mjv s MET 55 CO -0.00 -0.67 0.01 1.03 -0.01 0.00 0.00 175.02 175.37 1mjv s ARG 56 N 3.05 0.07 0.31 2.03 1.81 -0.10 -1.08 118.95 125.05 1mjv s ARG 56 Ca 0.65 -0.09 -0.29 0.00 -1.72 0.00 0.00 55.73 54.27 1mjv s ARG 56 Cb -0.30 0.03 -0.11 0.00 -0.45 0.00 0.00 34.95 34.12 1mjv s ARG 56 CO 0.25 -0.01 1.47 0.00 -0.68 0.00 0.00 175.30 176.33 1mjv s GLY 58 N 0.09 -0.57 0.00 0.00 0.00 -0.58 -4.89 107.32 101.36 1mjv s GLY 58 Ca 0.56 0.73 0.00 0.00 0.00 0.00 0.00 44.72 46.01 1mjv s GLY 58 CO 0.52 0.31 0.00 0.61 0.00 0.00 0.00 173.10 174.54 1mjv n GLY 59 N -0.18 2.41 3.81 0.20 0.00 -1.26 -0.83 105.19 109.33 1mjv n GLY 59 Ca -0.15 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.48 1mjv n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjv s ALA 60 N -1.83 2.16 0.04 4.61 0.00 0.36 -4.20 121.76 122.90 1mjv s ALA 60 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.64 1mjv s ALA 60 Cb 0.00 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 1mjv s ALA 60 CO 0.00 -1.86 -0.05 0.00 0.00 0.00 0.00 175.76 173.85 1mjv h ASN 62 N 4.25 -0.34 -4.53 0.00 2.35 -1.99 -3.43 115.58 111.89 1mjv h ASN 62 Ca -0.34 0.08 -0.67 0.00 -0.55 0.00 0.00 56.30 54.82 1mjv h ASN 62 Cb 1.19 0.18 -0.30 0.00 0.05 0.00 0.00 38.32 39.45 1mjv h ASN 62 CO 0.46 -0.14 -0.88 1.51 -1.65 0.00 0.00 177.43 176.74 1mjv s ASP 63 N -5.13 2.84 0.01 5.81 1.47 -1.26 -5.00 116.67 115.41 1mjv s ASP 63 Ca -0.14 -0.44 0.00 0.00 1.18 0.00 0.00 52.55 53.15 1mjv s ASP 63 Cb 0.11 -0.34 0.01 0.00 -0.34 0.00 0.00 42.92 42.36 1mjv s ASP 63 CO 0.68 0.30 0.71 -0.62 0.68 0.00 0.00 175.17 176.92 1mjv n GLU 64 N 2.50 0.00 -0.03 2.11 4.71 -1.26 -0.03 120.64 128.63 1mjv n GLU 64 Ca -0.16 0.21 0.08 0.00 -0.01 0.00 0.00 57.16 57.28 1mjv n GLU 64 Cb 0.52 -1.80 0.39 0.00 -1.01 0.00 0.00 31.44 29.53 1mjv n GLU 64 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1mjv n GLY 65 N -1.20 -0.54 3.30 0.62 0.00 -1.26 -4.83 105.19 101.28 1mjv n GLY 65 Ca -0.00 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 1mjv n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mjv s LEU 66 N -1.44 2.35 0.17 0.99 1.43 0.95 -1.23 118.68 121.90 1mjv s LEU 66 Ca 0.24 -0.75 0.06 0.00 -1.03 0.00 0.00 54.13 52.66 1mjv s LEU 66 Cb 0.12 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 1mjv s LEU 66 CO 0.19 0.03 -0.13 -1.83 0.23 0.00 0.00 176.35 174.84 1mjv s GLU 67 N -2.21 1.19 -0.30 1.70 -1.05 0.23 -4.83 118.70 113.44 1mjv s GLU 67 Ca 0.10 -1.49 -0.21 0.00 -0.15 0.00 0.00 54.97 53.22 1mjv s GLU 67 Cb -0.09 -0.93 -0.01 0.00 -0.44 0.00 0.00 34.13 32.67 1mjv s GLU 67 CO 0.05 0.15 0.67 0.00 0.95 0.00 0.00 175.26 177.08 1mjv s VAL 69 N 2.68 0.40 0.31 0.00 -7.23 -0.68 -4.78 120.40 111.10 1mjv s VAL 69 Ca 0.27 -1.32 -0.29 0.00 -1.81 0.00 0.00 61.98 58.84 1mjv s VAL 69 Cb -0.15 -0.87 -0.10 0.00 0.56 0.00 0.00 36.38 35.82 1mjv s VAL 69 CO 0.11 -0.61 1.18 -2.16 -0.31 0.00 0.00 175.10 173.32 1mjv s PRO 70 N -2.36 4.48 0.00 4.82 0.04 -1.26 -1.25 135.00 139.47 1mjv s PRO 70 Ca -0.05 1.96 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1mjv s PRO 70 Cb -0.04 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.41 1mjv s PRO 70 CO -0.03 0.01 0.48 0.25 0.04 0.00 0.00 177.00 177.76 1mjv n THR 71 N 0.93 0.11 -3.67 1.26 -2.24 0.08 -4.90 114.28 105.85 1mjv n THR 71 Ca -0.00 -0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 61.19 1mjv n THR 71 Cb 0.44 1.09 -0.08 0.00 -2.10 0.00 0.00 70.33 69.67 1mjv n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1mjv s GLU 72 N -0.11 0.64 0.17 -0.78 2.12 -1.21 -4.92 118.70 114.62 1mjv s GLU 72 Ca 0.00 0.92 -0.08 0.00 0.36 0.00 0.00 54.97 56.17 1mjv s GLU 72 Cb 0.00 0.22 -0.01 0.00 0.26 0.00 0.00 34.13 34.60 1mjv s GLU 72 CO 0.00 -0.11 0.27 -1.83 -0.54 0.00 0.00 175.26 173.05 1mjv s GLU 73 N 0.84 1.16 0.29 4.30 -1.05 -1.26 -0.35 118.70 122.64 1mjv s GLU 73 Ca -0.04 -1.21 -0.15 0.00 -0.15 0.00 0.00 54.97 53.41 1mjv s GLU 73 Cb -0.05 0.37 0.02 0.00 -0.44 0.00 0.00 34.13 34.02 1mjv s GLU 73 CO -0.07 -0.42 0.63 -1.54 0.95 0.00 0.00 175.26 174.80 1mjv s SER 74 N -2.98 -0.04 0.14 0.83 1.04 -0.48 -4.88 113.70 107.33 1mjv s SER 74 Ca 0.19 -0.91 0.08 0.00 0.48 0.00 0.00 55.95 55.79 1mjv s SER 74 Cb 0.03 0.70 -0.04 0.00 0.10 0.00 0.00 66.02 66.81 1mjv s SER 74 CO 0.01 -1.34 -0.11 0.20 0.98 0.00 0.00 173.24 172.99 1mjv s ASN 75 N -3.01 4.26 -0.03 7.02 -0.87 -1.26 -0.04 114.94 121.01 1mjv s ASN 75 Ca 0.18 -0.49 0.03 0.00 -1.57 0.00 0.00 52.86 51.00 1mjv s ASN 75 Cb -0.03 -0.75 0.00 0.00 -0.02 0.00 0.00 41.25 40.45 1mjv s ASN 75 CO 0.10 0.14 -0.13 -0.51 -2.57 0.00 0.00 177.10 174.14 1mjv s ILE 76 N -1.42 1.07 -0.18 0.60 1.10 0.20 -4.95 121.20 117.62 1mjv s ILE 76 Ca 0.22 -0.52 -0.07 0.00 -0.51 0.00 0.00 60.65 59.78 1mjv s ILE 76 Cb -0.10 -0.94 -0.04 0.00 0.15 0.00 0.00 42.46 41.54 1mjv s ILE 76 CO 0.14 0.32 0.04 -0.89 -2.11 0.00 0.00 174.94 172.44 1mjv s THR 77 N 0.15 4.59 0.09 4.00 2.01 -1.26 -0.16 115.64 125.06 1mjv s THR 77 Ca -0.04 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 61.92 1mjv s THR 77 Cb -0.10 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 1mjv s THR 77 CO 0.01 0.46 -0.16 -0.04 -0.69 0.00 0.00 174.62 174.20 1mjv s MET 78 N 0.39 0.97 -0.17 4.92 1.00 0.02 -4.93 119.30 121.51 1mjv s MET 78 Ca 0.02 -1.09 -0.25 0.00 0.00 0.00 0.00 55.69 54.37 1mjv s MET 78 Cb -0.13 -1.04 -0.02 0.00 0.00 0.00 0.00 34.83 33.64 1mjv s MET 78 CO 0.01 0.23 0.80 -0.65 0.00 0.00 0.00 175.02 175.41 1mjv s GLN 79 N -2.01 4.29 0.02 2.03 -0.21 -1.26 -1.19 119.66 121.33 1mjv s GLN 79 Ca 0.03 0.97 0.09 0.00 0.02 0.00 0.00 55.36 56.47 1mjv s GLN 79 Cb -0.09 -3.57 -0.02 0.00 1.00 0.00 0.00 33.01 30.33 1mjv s GLN 79 CO 0.03 -0.30 -0.26 0.42 -2.12 0.00 0.00 175.29 173.06 1mjv s ILE 80 N 2.07 2.06 -0.20 1.08 -1.09 0.72 -4.90 121.20 120.96 1mjv s ILE 80 Ca 0.37 -1.25 -0.25 0.00 -2.23 0.00 0.00 60.65 57.30 1mjv s ILE 80 Cb -0.17 -1.74 -0.01 0.00 -1.58 0.00 0.00 42.46 38.96 1mjv s ILE 80 CO 0.12 0.45 0.82 -0.32 -1.23 0.00 0.00 174.94 174.78 1mjv s MET 81 N -0.95 4.25 -0.24 2.79 -2.45 -0.49 -0.64 119.30 121.57 1mjv s MET 81 Ca 0.11 0.97 -0.04 0.00 -1.25 0.00 0.00 55.69 55.47 1mjv s MET 81 Cb -0.10 -3.60 0.00 0.00 1.25 0.00 0.00 34.83 32.38 1mjv s MET 81 CO 0.01 -0.39 -0.02 1.03 1.05 0.00 0.00 175.02 176.70 1mjv s ARG 82 N 2.38 3.23 -0.20 4.11 0.52 0.19 -1.02 118.95 128.17 1mjv s ARG 82 Ca 0.36 -0.73 0.01 0.00 -0.52 0.00 0.00 55.73 54.85 1mjv s ARG 82 Cb -0.16 -3.09 0.02 0.00 0.52 0.00 0.00 34.95 32.24 1mjv s ARG 82 CO 0.10 -0.29 -0.16 0.42 0.02 0.00 0.00 175.30 175.39 1mjv s ILE 83 N 1.46 2.27 -0.01 1.52 1.09 -0.16 -1.57 121.20 125.79 1mjv s ILE 83 Ca 0.04 -0.97 0.08 0.00 -1.10 0.00 0.00 60.65 58.69 1mjv s ILE 83 Cb -0.15 -2.02 -0.02 0.00 -1.06 0.00 0.00 42.46 39.21 1mjv s ILE 83 CO -0.02 0.44 -0.24 -0.75 -0.10 0.00 0.00 174.94 174.27 1mjv s LYS 84 N 1.29 1.91 0.16 2.79 2.20 -1.26 -0.98 119.74 125.85 1mjv s LYS 84 Ca 0.03 -0.89 -0.34 0.00 -0.36 0.00 0.00 55.97 54.41 1mjv s LYS 84 Cb -0.14 -1.88 -0.15 0.00 -1.51 0.00 0.00 37.83 34.14 1mjv s LYS 84 CO -0.11 0.51 1.34 -2.30 -0.36 0.00 0.00 175.35 174.44 1mjv n PRO 85 N 2.38 1.51 -0.25 4.03 -0.02 -1.26 -1.65 135.00 139.73 1mjv n PRO 85 Ca -0.16 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1mjv n PRO 85 Cb 0.52 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1mjv n PRO 85 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1mjv n HIS 86 N 2.27 0.00 -0.68 6.00 8.25 -1.26 -4.82 115.22 124.98 1mjv n HIS 86 Ca 0.16 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.70 1mjv n HIS 86 Cb 0.25 -0.30 0.33 0.00 1.12 0.00 0.00 29.99 31.39 1mjv n HIS 86 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1mjv n GLN 87 N -2.00 3.74 -0.17 -0.41 1.13 -0.66 -5.08 117.38 113.93 1mjv n GLN 87 Ca 0.00 -2.86 0.02 0.00 -1.94 0.00 0.00 57.00 52.23 1mjv n GLN 87 Cb 0.00 -1.89 -0.01 0.00 0.11 0.00 0.00 30.24 28.45 1mjv n GLN 87 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1mjv n GLY 88 N 0.76 -0.64 3.82 1.08 0.00 -1.26 -4.60 105.19 104.35 1mjv n GLY 88 Ca 0.24 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 1mjv n GLY 88 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mjv s GLN 89 N -0.36 3.88 0.15 1.61 -2.07 -1.26 -4.18 119.66 117.43 1mjv s GLN 89 Ca 0.00 0.15 0.11 0.00 -1.82 0.00 0.00 55.36 53.80 1mjv s GLN 89 Cb 0.00 -3.27 -0.04 0.00 -1.09 0.00 0.00 33.01 28.61 1mjv s GLN 89 CO 0.00 0.58 -0.24 -1.01 -1.32 0.00 0.00 175.29 173.30 1mjv s HIS 90 N -0.60 2.35 -0.22 9.60 3.76 -0.61 -4.96 115.29 124.62 1mjv s HIS 90 Ca 0.19 -0.35 -0.04 0.00 -0.15 0.00 0.00 55.06 54.71 1mjv s HIS 90 Cb -0.14 -1.23 -0.01 0.00 1.11 0.00 0.00 32.58 32.31 1mjv s HIS 90 CO 0.08 0.40 -0.05 0.42 -0.85 0.00 0.00 174.74 174.74 1mjv s ILE 91 N -1.29 3.35 0.06 0.60 1.01 -1.26 0.55 121.20 124.22 1mjv s ILE 91 Ca 0.17 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1mjv s ILE 91 Cb -0.09 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 1mjv s ILE 91 CO 0.08 0.43 -0.08 -0.83 0.00 0.00 0.00 174.94 174.54 1mjv s GLY 92 N 1.43 0.59 0.10 6.18 0.00 0.19 -4.90 107.32 110.90 1mjv s GLY 92 Ca 0.05 -0.91 -0.30 0.00 0.00 0.00 0.00 44.72 43.56 1mjv s GLY 92 CO -0.03 -0.97 1.07 -0.54 0.00 0.00 0.00 173.10 172.63 1mjv s GLU 93 N -2.07 4.57 -0.01 2.90 2.02 -1.26 -0.20 118.70 124.66 1mjv s GLU 93 Ca -0.05 1.61 0.02 0.00 0.02 0.00 0.00 54.97 56.57 1mjv s GLU 93 Cb -0.07 -3.36 -0.00 0.00 0.10 0.00 0.00 34.13 30.80 1mjv s GLU 93 CO -0.01 -0.00 -0.07 -1.64 0.02 0.00 0.00 175.26 173.56 1mjv s MET 94 N 0.37 0.59 -0.09 1.61 -1.94 -0.33 -4.94 119.30 114.57 1mjv s MET 94 Ca 0.52 -0.25 -0.13 0.00 -1.71 0.00 0.00 55.69 54.12 1mjv s MET 94 Cb -0.26 -0.57 -0.05 0.00 2.01 0.00 0.00 34.83 35.95 1mjv s MET 94 CO 0.31 0.14 0.32 0.45 -0.01 0.00 0.00 175.02 176.23 1mjv s SER 95 N -0.12 6.59 0.07 3.03 0.15 -1.26 -0.80 113.70 121.36 1mjv s SER 95 Ca 0.02 0.70 0.07 0.00 0.70 0.00 0.00 55.95 57.44 1mjv s SER 95 Cb -0.03 -2.20 -0.03 0.00 -1.71 0.00 0.00 66.02 62.05 1mjv s SER 95 CO -0.00 0.24 -0.19 -0.36 1.20 0.00 0.00 173.24 174.13 1mjv s PHE 96 N -0.41 1.61 -0.00 3.44 0.08 0.77 -4.94 117.98 118.52 1mjv s PHE 96 Ca 0.20 -0.40 -0.21 0.00 0.12 0.00 0.00 56.93 56.64 1mjv s PHE 96 Cb -0.14 -0.92 -0.05 0.00 -0.57 0.00 0.00 43.02 41.33 1mjv s PHE 96 CO 0.08 0.12 0.62 -1.17 -0.10 0.00 0.00 175.22 174.76 1mjv s LEU 97 N -1.52 4.41 0.14 -0.37 2.96 -1.26 -0.63 118.68 122.41 1mjv s LEU 97 Ca 0.05 1.18 0.09 0.00 -0.22 0.00 0.00 54.13 55.24 1mjv s LEU 97 Cb -0.09 -2.96 -0.04 0.00 0.50 0.00 0.00 46.19 43.60 1mjv s LEU 97 CO 0.03 0.08 -0.22 -1.10 -1.32 0.00 0.00 176.35 173.81 1mjv s GLN 98 N -0.11 1.29 -0.31 1.98 -0.21 0.95 -4.83 119.66 118.43 1mjv s GLN 98 Ca 0.32 -1.33 -0.12 0.00 0.02 0.00 0.00 55.36 54.25 1mjv s GLN 98 Cb -0.18 -1.57 -0.04 0.00 1.00 0.00 0.00 33.01 32.22 1mjv s GLN 98 CO 0.18 0.35 0.23 -1.01 -2.12 0.00 0.00 175.29 172.91 1mjv s HIS 99 N -1.45 3.22 -0.13 0.91 3.76 -0.24 -1.38 115.29 119.98 1mjv s HIS 99 Ca 0.13 0.00 0.19 0.00 -0.15 0.00 0.00 55.06 55.24 1mjv s HIS 99 Cb -0.09 -2.44 -0.21 0.00 1.11 0.00 0.00 32.58 30.96 1mjv s HIS 99 CO 0.06 -0.25 0.58 0.09 -0.85 0.00 0.00 174.74 174.37 1mjv n ASN 100 N 5.10 0.40 -3.83 1.40 4.13 0.52 -4.58 115.26 118.42 1mjv n ASN 100 Ca -0.13 0.17 -0.12 0.00 1.68 0.00 0.00 54.58 56.18 1mjv n ASN 100 Cb 0.51 0.96 -0.12 0.00 -1.54 0.00 0.00 39.78 39.59 1mjv n ASN 100 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1mjv s LYS 101 N -3.08 0.24 0.02 3.52 2.20 -1.13 -4.92 119.74 116.60 1mjv s LYS 101 Ca -0.06 0.10 0.02 0.00 -0.36 0.00 0.00 55.97 55.67 1mjv s LYS 101 Cb 0.10 0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.51 1mjv s LYS 101 CO 0.84 -0.04 -0.08 0.00 -0.36 0.00 0.00 175.35 175.72 1mjv s GLU 103 N -0.96 0.79 -0.08 0.00 2.02 -0.38 -4.83 118.70 115.26 1mjv s GLU 103 Ca -0.04 -0.57 -0.28 0.00 0.02 0.00 0.00 54.97 54.10 1mjv s GLU 103 Cb -0.07 0.34 -0.02 0.00 0.10 0.00 0.00 34.13 34.48 1mjv s GLU 103 CO 0.00 -0.25 0.95 0.00 0.02 0.00 0.00 175.26 175.98 1mjv s ARG 105 N 1.65 0.93 0.15 0.00 3.00 0.78 -4.87 118.95 120.60 1mjv s ARG 105 Ca 0.47 -1.10 -0.31 0.00 0.00 0.00 0.00 55.73 54.79 1mjv s ARG 105 Cb -0.19 -0.90 -0.10 0.00 0.00 0.00 0.00 34.95 33.76 1mjv s ARG 105 CO 0.20 0.19 1.71 -2.14 0.00 0.00 0.00 175.30 175.26 1mjv s PRO 106 N -2.18 4.16 -0.28 3.54 0.02 -1.26 0.76 135.00 139.76 1mjv s PRO 106 Ca 0.04 2.51 -0.28 0.00 0.02 0.00 0.00 61.00 63.29 1mjv s PRO 106 Cb -0.08 -3.33 -0.05 0.00 0.02 0.00 0.00 34.50 31.06 1mjv s PRO 106 CO 0.03 -0.75 2.26 0.15 -0.33 0.00 0.00 177.00 178.36 1mjv s LYS 107 N 1.88 2.90 0.00 5.54 1.02 -0.37 -4.84 119.74 125.88 1mjv s LYS 107 Ca 0.76 1.88 0.27 0.00 0.02 0.00 0.00 55.97 58.89 1mjv s LYS 107 Cb -0.46 -4.42 1.59 0.00 -0.52 0.00 0.00 37.83 34.02 1mjv s LYS 107 CO 0.33 -2.37 1.94 0.36 -0.92 0.00 0.00 175.35 174.69