#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mkg s VAL 15 N 0.00 3.68 0.54 2.52 1.01 -1.26 -4.98 120.40 121.91 1mkg s VAL 15 Ca 0.00 1.15 -0.20 0.00 0.00 0.00 0.00 61.98 62.93 1mkg s VAL 15 Cb 0.00 -3.74 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 1mkg s VAL 15 CO 0.00 0.05 1.17 -0.54 0.00 0.00 0.00 175.10 175.78 1mkg s LYS 16 N 1.60 3.32 0.17 2.72 1.02 -1.26 -4.88 119.74 122.44 1mkg s LYS 16 Ca 0.62 1.73 -0.16 0.00 0.02 0.00 0.00 55.97 58.18 1mkg s LYS 16 Cb -0.32 -2.07 0.12 0.00 -0.52 0.00 0.00 37.83 35.03 1mkg s LYS 16 CO 0.28 -0.90 1.66 0.35 -0.92 0.00 0.00 175.35 175.82 1mkg h PHE 17 N 1.30 -0.24 -0.14 3.18 3.57 -2.01 -1.72 116.94 120.88 1mkg h PHE 17 Ca -0.50 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.03 1mkg h PHE 17 Cb 1.27 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 40.18 1mkg h PHE 17 CO 0.50 -0.19 0.04 1.98 -2.23 0.00 0.00 178.31 178.41 1mkg h MET 18 N -0.00 0.19 -0.17 1.11 4.05 -1.99 -1.62 114.93 116.49 1mkg h MET 18 Ca 0.21 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.55 1mkg h MET 18 Cb 0.32 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.08 1mkg h MET 18 CO -0.45 0.17 -0.13 -0.44 0.23 0.00 0.00 176.91 176.29 1mkg h ASP 19 N 0.19 0.42 -0.65 1.39 3.32 -1.69 -1.91 116.42 117.49 1mkg h ASP 19 Ca 0.05 -0.45 -0.06 0.00 0.02 0.00 0.00 57.03 56.59 1mkg h ASP 19 Cb 0.07 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1mkg h ASP 19 CO -0.00 0.78 0.18 0.58 -1.72 0.00 0.00 179.24 179.06 1mkg h VAL 20 N 0.06 1.25 -0.04 -1.35 2.07 -1.16 0.14 116.25 117.22 1mkg h VAL 20 Ca 0.03 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1mkg h VAL 20 Cb 0.64 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1mkg h VAL 20 CO 0.03 0.34 0.03 0.22 0.02 0.00 0.00 177.57 178.21 1mkg h TYR 21 N 0.94 0.05 -0.26 1.57 3.20 -1.33 0.12 116.97 121.27 1mkg h TYR 21 Ca 0.21 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.98 1mkg h TYR 21 Cb 0.33 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 1mkg h TYR 21 CO 0.02 0.06 -0.22 1.96 -1.64 0.00 0.00 178.16 178.34 1mkg h GLN 22 N 0.04 0.61 0.00 1.82 4.20 -1.21 -3.09 115.11 117.47 1mkg h GLN 22 Ca 0.02 -0.31 -0.06 0.00 0.06 0.00 0.00 58.65 58.36 1mkg h GLN 22 Cb 0.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1mkg h GLN 22 CO -0.00 0.90 -0.27 0.00 -0.67 0.00 0.00 178.83 178.79 1mkg h ARG 23 N 0.33 0.00 0.00 1.46 3.08 -0.56 -3.09 114.38 115.60 1mkg h ARG 23 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1mkg h ARG 23 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1mkg h ARG 23 CO 0.06 0.27 -0.82 -1.13 -1.07 0.00 0.00 179.97 177.28 1mkg n SER 24 N -3.78 0.72 -4.67 7.04 3.41 0.41 -4.95 113.62 111.80 1mkg n SER 24 Ca -0.01 0.11 -0.40 0.00 -0.26 0.00 0.00 58.87 58.30 1mkg n SER 24 Cb 0.37 0.38 0.03 0.00 -0.26 0.00 0.00 64.21 64.73 1mkg n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mkg n TYR 25 N -2.23 1.68 -1.56 7.33 4.19 -1.17 -1.83 117.16 123.56 1mkg n TYR 25 Ca 0.02 0.48 -0.58 0.00 3.31 0.00 0.00 57.90 61.14 1mkg n TYR 25 Cb 0.47 -2.29 -0.08 0.00 0.49 0.00 0.00 39.34 37.93 1mkg n TYR 25 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1mkg s HIS 27 N 0.63 -0.04 0.17 0.00 -3.43 -0.27 -4.80 115.29 107.55 1mkg s HIS 27 Ca 0.91 0.02 -0.30 0.00 -0.80 0.00 0.00 55.06 54.89 1mkg s HIS 27 Cb -1.19 0.51 -0.08 0.00 -1.43 0.00 0.00 32.58 30.38 1mkg s HIS 27 CO 0.57 -0.07 1.22 -2.14 -2.00 0.00 0.00 174.74 172.32 1mkg s PRO 28 N -2.14 4.46 0.01 -0.38 0.02 -1.26 -0.94 135.00 134.78 1mkg s PRO 28 Ca 0.11 1.90 0.01 0.00 0.02 0.00 0.00 61.00 63.04 1mkg s PRO 28 Cb -0.01 -3.25 -0.01 0.00 0.02 0.00 0.00 34.50 31.26 1mkg s PRO 28 CO -0.03 -0.15 -0.05 -1.50 -0.33 0.00 0.00 177.00 174.94 1mkg s ILE 29 N 0.16 0.38 -0.08 2.83 -1.16 0.18 -4.83 121.20 118.69 1mkg s ILE 29 Ca 0.55 -0.55 -0.34 0.00 -0.51 0.00 0.00 60.65 59.79 1mkg s ILE 29 Cb -0.33 -0.39 -0.12 0.00 0.61 0.00 0.00 42.46 42.23 1mkg s ILE 29 CO 0.36 -0.12 1.86 1.21 -2.81 0.00 0.00 174.94 175.43 1mkg n GLU 30 N 2.34 2.14 -4.47 3.50 2.13 -1.26 -1.84 120.64 123.18 1mkg n GLU 30 Ca -0.17 0.78 -0.26 0.00 0.66 0.00 0.00 57.16 58.17 1mkg n GLU 30 Cb 0.57 -2.62 -0.17 0.00 0.27 0.00 0.00 31.44 29.49 1mkg n GLU 30 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1mkg s THR 31 N 3.84 1.27 -0.24 6.31 2.01 0.15 -4.93 115.64 124.05 1mkg s THR 31 Ca 0.92 -0.52 -0.29 0.00 0.31 0.00 0.00 61.69 62.10 1mkg s THR 31 Cb -0.71 -1.18 -0.00 0.00 0.01 0.00 0.00 72.50 70.63 1mkg s THR 31 CO 0.51 0.39 1.22 -0.76 -0.69 0.00 0.00 174.62 175.29 1mkg s LEU 32 N 0.91 4.04 -0.27 4.42 1.43 -1.26 -0.48 118.68 127.46 1mkg s LEU 32 Ca -0.09 1.40 -0.04 0.00 -1.03 0.00 0.00 54.13 54.37 1mkg s LEU 32 Cb -0.15 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.55 1mkg s LEU 32 CO 0.00 -0.87 0.01 -0.69 0.23 0.00 0.00 176.35 175.03 1mkg s VAL 33 N 3.76 3.35 0.12 -1.59 1.01 0.16 -4.91 120.40 122.30 1mkg s VAL 33 Ca 0.52 -0.94 -0.32 0.00 0.00 0.00 0.00 61.98 61.25 1mkg s VAL 33 Cb -0.18 -2.74 -0.12 0.00 0.00 0.00 0.00 36.38 33.34 1mkg s VAL 33 CO 0.16 0.11 1.76 -0.67 0.00 0.00 0.00 175.10 176.46 1mkg n ASP 34 N 4.75 3.76 0.19 3.32 4.64 -1.26 -1.13 116.55 130.82 1mkg n ASP 34 Ca -0.15 1.02 0.10 0.00 -1.38 0.00 0.00 54.79 54.37 1mkg n ASP 34 Cb 0.47 -1.51 0.63 0.00 -1.04 0.00 0.00 41.12 39.67 1mkg n ASP 34 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1mkg h ILE 35 N 4.36 0.97 -0.95 5.18 2.04 -1.02 -2.41 117.51 125.67 1mkg h ILE 35 Ca -0.46 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 65.43 1mkg h ILE 35 Cb 1.23 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 38.16 1mkg h ILE 35 CO 0.94 0.01 0.62 -0.26 0.00 0.00 0.00 178.15 179.45 1mkg h PHE 36 N 0.05 1.15 -0.36 1.37 -1.00 -1.86 -1.83 116.94 114.47 1mkg h PHE 36 Ca 0.06 0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.90 1mkg h PHE 36 Cb 0.15 -0.38 -0.04 0.00 3.61 0.00 0.00 35.95 39.30 1mkg h PHE 36 CO -0.00 0.64 0.13 0.37 -1.61 0.00 0.00 178.31 177.84 1mkg h GLN 37 N 1.17 0.28 0.00 1.51 4.15 -1.81 -1.29 115.11 119.12 1mkg h GLN 37 Ca 0.39 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.76 1mkg h GLN 37 Cb 0.06 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1mkg h GLN 37 CO -0.14 0.19 -0.17 0.93 -1.93 0.00 0.00 178.83 177.71 1mkg h GLU 38 N 0.29 0.00 -2.05 1.69 4.39 -1.46 -3.31 114.58 114.13 1mkg h GLU 38 Ca 0.16 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.29 1mkg h GLU 38 Cb 0.13 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.38 1mkg h GLU 38 CO -0.16 0.17 -1.00 0.66 -1.16 0.00 0.00 179.01 177.52 1mkg n TYR 39 N -3.46 0.49 0.00 4.33 4.02 -0.74 -4.96 117.16 116.83 1mkg n TYR 39 Ca -0.01 -3.69 0.00 0.00 -0.01 0.00 0.00 57.90 54.20 1mkg n TYR 39 Cb 0.34 -0.39 0.00 0.00 -0.02 0.00 0.00 39.34 39.27 1mkg n TYR 39 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1mkg n PRO 40 N 1.31 0.00 -0.08 -0.72 -0.02 -0.55 -2.60 135.00 132.35 1mkg n PRO 40 Ca 0.23 0.05 -0.07 0.00 -2.02 0.00 0.00 63.50 61.69 1mkg n PRO 40 Cb 0.50 -1.52 -0.02 0.00 -0.02 0.00 0.00 33.50 32.44 1mkg n PRO 40 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1mkg n ASP 41 N -0.92 1.78 -2.27 2.55 8.00 -1.26 -4.48 116.55 119.94 1mkg n ASP 41 Ca 0.00 0.42 -0.02 0.00 0.71 0.00 0.00 54.79 55.91 1mkg n ASP 41 Cb 0.02 -0.77 -0.03 0.00 -0.02 0.00 0.00 41.12 40.32 1mkg n ASP 41 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1mkg n GLU 42 N -4.39 0.36 0.23 -1.24 1.02 -1.07 -4.37 120.64 111.18 1mkg n GLU 42 Ca -0.11 -0.15 0.09 0.00 -0.02 0.00 0.00 57.16 56.97 1mkg n GLU 42 Cb 0.40 -1.55 0.51 0.00 -0.02 0.00 0.00 31.44 30.78 1mkg n GLU 42 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1mkg h ILE 43 N 2.54 0.67 -0.01 -3.67 2.04 -1.79 -2.65 117.51 114.65 1mkg h ILE 43 Ca 0.03 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.87 1mkg h ILE 43 Cb 0.29 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1mkg h ILE 43 CO 0.33 0.23 -0.19 -0.62 0.00 0.00 0.00 178.15 177.91 1mkg n GLU 44 N -3.55 1.11 -1.44 2.37 4.71 -1.26 -4.87 120.64 117.71 1mkg n GLU 44 Ca -0.01 -0.67 -0.30 0.00 -0.01 0.00 0.00 57.16 56.17 1mkg n GLU 44 Cb 0.38 -1.49 0.09 0.00 -1.01 0.00 0.00 31.44 29.42 1mkg n GLU 44 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1mkg s TYR 45 N -2.35 2.73 -0.12 -0.32 1.51 -1.00 -4.48 117.35 113.32 1mkg s TYR 45 Ca 0.28 1.26 0.01 0.00 -1.01 0.00 0.00 57.07 57.62 1mkg s TYR 45 Cb 0.20 -3.08 0.02 0.00 -0.11 0.00 0.00 41.96 38.98 1mkg s TYR 45 CO 0.46 -1.83 -0.16 0.42 -1.11 0.00 0.00 175.55 173.34 1mkg s ILE 46 N -3.06 1.57 0.06 2.71 1.09 -1.13 -4.95 121.20 117.49 1mkg s ILE 46 Ca 0.61 -0.67 0.04 0.00 -1.10 0.00 0.00 60.65 59.53 1mkg s ILE 46 Cb -0.15 -1.44 -0.04 0.00 -1.06 0.00 0.00 42.46 39.77 1mkg s ILE 46 CO 0.55 0.46 -0.04 -0.36 -0.10 0.00 0.00 174.94 175.45 1mkg s PHE 47 N 1.11 2.92 -0.20 3.97 0.40 -1.26 -1.35 117.98 123.58 1mkg s PHE 47 Ca -0.03 -0.04 -0.04 0.00 -0.60 0.00 0.00 56.93 56.21 1mkg s PHE 47 Cb -0.14 -1.55 0.07 0.00 0.51 0.00 0.00 43.02 41.91 1mkg s PHE 47 CO -0.04 0.44 0.09 0.15 0.70 0.00 0.00 175.22 176.56 1mkg s LYS 48 N -1.98 0.18 0.73 0.44 -0.14 -0.50 -3.17 119.74 115.30 1mkg s LYS 48 Ca 0.22 -0.22 -0.11 0.00 -1.36 0.00 0.00 55.97 54.50 1mkg s LYS 48 Cb -0.11 -1.76 0.03 0.00 -1.68 0.00 0.00 37.83 34.30 1mkg s LYS 48 CO 0.14 -0.73 1.07 -1.25 -0.76 0.00 0.00 175.35 173.82 1mkg s PRO 49 N 2.08 2.68 0.00 -1.68 0.04 -1.26 -1.59 135.00 135.27 1mkg s PRO 49 Ca 0.03 0.99 0.25 0.00 0.04 0.00 0.00 61.00 62.31 1mkg s PRO 49 Cb -0.16 -1.96 1.13 0.00 0.04 0.00 0.00 34.50 33.55 1mkg s PRO 49 CO -0.14 -1.29 1.82 -1.13 0.04 0.00 0.00 177.00 176.30 1mkg n SER 50 N -3.27 0.00 -3.93 6.66 3.41 -1.19 -4.81 113.62 110.49 1mkg n SER 50 Ca 0.08 0.33 -0.10 0.00 -0.26 0.00 0.00 58.87 58.93 1mkg n SER 50 Cb 0.54 -0.44 -0.10 0.00 -0.26 0.00 0.00 64.21 63.95 1mkg n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mkg s VAL 52 N -1.90 2.19 -0.66 0.00 -7.23 -0.28 -4.88 120.40 107.64 1mkg s VAL 52 Ca -0.11 -1.99 -0.24 0.00 -1.81 0.00 0.00 61.98 57.82 1mkg s VAL 52 Cb -0.06 -2.03 0.05 0.00 0.56 0.00 0.00 36.38 34.90 1mkg s VAL 52 CO -0.02 -0.17 1.06 -2.16 -0.31 0.00 0.00 175.10 173.50 1mkg s PRO 53 N -2.70 3.19 -0.05 4.82 0.04 -1.26 0.35 135.00 139.40 1mkg s PRO 53 Ca 0.19 -0.52 0.01 0.00 0.04 0.00 0.00 61.00 60.72 1mkg s PRO 53 Cb -0.07 -4.18 -0.03 0.00 0.04 0.00 0.00 34.50 30.26 1mkg s PRO 53 CO 0.09 -1.85 -0.05 -0.51 0.04 0.00 0.00 177.00 174.72 1mkg s LEU 54 N 4.55 3.25 -0.24 -3.56 1.43 0.37 -4.86 118.68 119.62 1mkg s LEU 54 Ca 0.28 -0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 53.06 1mkg s LEU 54 Cb -0.13 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.33 1mkg s LEU 54 CO 0.14 0.34 1.09 -0.04 0.23 0.00 0.00 176.35 178.10 1mkg s MET 55 N -1.03 4.22 0.08 1.70 -1.94 -1.26 0.34 119.30 121.40 1mkg s MET 55 Ca 0.14 1.36 0.02 0.00 -1.71 0.00 0.00 55.69 55.51 1mkg s MET 55 Cb -0.11 -3.68 -0.03 0.00 2.01 0.00 0.00 34.83 33.01 1mkg s MET 55 CO 0.04 -0.70 -0.08 1.03 -0.01 0.00 0.00 175.02 175.30 1mkg s ARG 56 N 3.34 0.72 0.15 2.03 1.81 -0.77 -1.18 118.95 125.06 1mkg s ARG 56 Ca 0.46 -1.09 -0.31 0.00 -1.72 0.00 0.00 55.73 53.07 1mkg s ARG 56 Cb -0.16 -0.30 -0.10 0.00 -0.45 0.00 0.00 34.95 33.94 1mkg s ARG 56 CO 0.09 0.03 1.68 0.00 -0.68 0.00 0.00 175.30 176.42 1mkg s ALA 57 N -2.56 3.80 0.19 2.13 0.00 -1.26 0.51 121.76 124.57 1mkg s ALA 57 Ca 0.02 1.42 -0.14 0.00 0.00 0.00 0.00 51.96 53.26 1mkg s ALA 57 Cb -0.02 -3.68 0.01 0.00 0.00 0.00 0.00 23.12 19.43 1mkg s ALA 57 CO -0.02 -0.97 0.44 0.20 0.00 0.00 0.00 175.76 175.41 1mkg s GLY 58 N 1.70 0.16 0.00 0.00 0.00 -0.11 -4.87 107.32 104.20 1mkg s GLY 58 Ca 0.74 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.95 1mkg s GLY 58 CO 0.33 -0.49 0.00 0.61 0.00 0.00 0.00 173.10 173.55 1mkg n GLY 59 N -0.30 -1.26 3.33 0.20 0.00 -1.26 -1.12 105.19 104.78 1mkg n GLY 59 Ca -0.08 -2.19 -0.22 0.00 0.00 0.00 0.00 46.02 43.53 1mkg n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mkg n ASN 62 N -0.74 -3.76 -3.25 0.00 3.02 -1.26 -4.93 115.26 104.34 1mkg n ASN 62 Ca 0.06 -0.90 -0.03 0.00 -0.03 0.00 0.00 54.58 53.69 1mkg n ASN 62 Cb 0.35 -3.35 -0.04 0.00 -0.61 0.00 0.00 39.78 36.13 1mkg n ASN 62 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1mkg s ASP 63 N -3.40 -0.58 0.53 6.41 -1.08 -1.26 -5.03 116.67 112.25 1mkg s ASP 63 Ca 0.64 0.52 0.33 0.00 -0.52 0.00 0.00 52.55 53.51 1mkg s ASP 63 Cb -0.33 1.64 1.48 0.00 -1.46 0.00 0.00 42.92 44.25 1mkg s ASP 63 CO 0.88 -0.28 1.84 -0.33 0.52 0.00 0.00 175.17 177.80 1mkg h GLU 64 N 8.09 0.04 -0.01 4.34 4.39 -2.04 0.38 114.58 129.77 1mkg h GLU 64 Ca -0.20 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1mkg h GLU 64 Cb 1.16 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1mkg h GLU 64 CO 0.26 0.02 -0.05 0.41 -1.16 0.00 0.00 179.01 178.50 1mkg n GLY 65 N -1.72 -0.53 3.42 -3.84 0.00 -1.26 -4.92 105.19 96.34 1mkg n GLY 65 Ca 0.22 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1mkg n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mkg s LEU 66 N -2.15 2.57 -0.08 0.99 1.43 0.12 -0.84 118.68 120.70 1mkg s LEU 66 Ca 0.37 -1.09 -0.08 0.00 -1.03 0.00 0.00 54.13 52.30 1mkg s LEU 66 Cb 0.21 -0.82 0.02 0.00 0.03 0.00 0.00 46.19 45.63 1mkg s LEU 66 CO 0.39 -0.16 0.24 -1.83 0.23 0.00 0.00 176.35 175.22 1mkg s GLU 67 N -3.63 0.29 -0.21 1.70 -1.05 -0.27 -4.77 118.70 110.77 1mkg s GLU 67 Ca 0.28 0.30 -0.29 0.00 -0.15 0.00 0.00 54.97 55.10 1mkg s GLU 67 Cb -0.00 0.14 -0.02 0.00 -0.44 0.00 0.00 34.13 33.81 1mkg s GLU 67 CO 0.12 -0.04 1.48 0.00 0.95 0.00 0.00 175.26 177.77 1mkg s VAL 69 N 4.56 0.54 0.28 0.00 1.01 -0.38 -4.88 120.40 121.52 1mkg s VAL 69 Ca 0.65 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 1mkg s VAL 69 Cb -0.23 -0.53 -0.10 0.00 0.00 0.00 0.00 36.38 35.52 1mkg s VAL 69 CO 0.25 -0.12 1.31 -2.16 0.00 0.00 0.00 175.10 174.38 1mkg s PRO 70 N -0.90 4.37 -0.00 2.72 0.04 -1.26 -1.51 135.00 138.46 1mkg s PRO 70 Ca -0.04 2.15 0.01 0.00 0.04 0.00 0.00 61.00 63.17 1mkg s PRO 70 Cb -0.06 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 1mkg s PRO 70 CO 0.00 -0.22 0.03 0.25 0.04 0.00 0.00 177.00 177.11 1mkg n THR 71 N 1.61 0.00 -3.62 1.26 -2.24 -0.08 -4.90 114.28 106.31 1mkg n THR 71 Ca 0.03 -0.12 -0.27 0.00 -2.27 0.00 0.00 64.05 61.42 1mkg n THR 71 Cb 0.42 0.57 -0.17 0.00 -2.10 0.00 0.00 70.33 69.06 1mkg n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1mkg s GLU 72 N -1.90 0.17 0.50 -0.78 2.12 -1.13 -4.96 118.70 112.72 1mkg s GLU 72 Ca -0.00 -0.19 0.07 0.00 0.36 0.00 0.00 54.97 55.21 1mkg s GLU 72 Cb 0.01 -1.80 0.03 0.00 0.26 0.00 0.00 34.13 32.62 1mkg s GLU 72 CO 0.05 -0.71 0.49 -1.21 -0.54 0.00 0.00 175.26 173.35 1mkg s GLU 73 N 2.09 2.41 0.00 4.30 2.02 -1.26 0.12 118.70 128.37 1mkg s GLU 73 Ca 0.02 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 53.31 1mkg s GLU 73 Cb -0.16 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.70 1mkg s GLU 73 CO -0.12 -0.49 0.00 -1.13 0.02 0.00 0.00 175.26 173.54 1mkg n SER 74 N -1.79 0.00 -4.94 -0.19 3.41 -0.93 -4.76 113.62 104.42 1mkg n SER 74 Ca 0.05 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.40 1mkg n SER 74 Cb 0.62 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.55 1mkg n SER 74 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1mkg s ASN 75 N 0.00 6.36 0.04 4.04 -0.87 -1.26 0.31 114.94 123.56 1mkg s ASN 75 Ca 0.00 0.29 0.06 0.00 -1.57 0.00 0.00 52.86 51.63 1mkg s ASN 75 Cb 0.00 -1.96 -0.02 0.00 -0.02 0.00 0.00 41.25 39.25 1mkg s ASN 75 CO 0.00 -0.02 -0.16 -0.51 -2.57 0.00 0.00 177.10 173.83 1mkg s ILE 76 N -1.85 1.31 -0.14 0.60 2.07 -0.19 -4.88 121.20 118.11 1mkg s ILE 76 Ca 0.37 -1.10 -0.05 0.00 -1.41 0.00 0.00 60.65 58.46 1mkg s ILE 76 Cb -0.11 -1.17 -0.04 0.00 0.13 0.00 0.00 42.46 41.27 1mkg s ILE 76 CO 0.29 0.05 0.03 -0.89 -1.91 0.00 0.00 174.94 172.51 1mkg s THR 77 N -0.87 4.53 0.07 4.00 2.01 -1.26 -1.08 115.64 123.04 1mkg s THR 77 Ca 0.03 -0.14 0.01 0.00 0.31 0.00 0.00 61.69 61.90 1mkg s THR 77 Cb -0.08 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.41 1mkg s THR 77 CO 0.02 0.53 -0.06 -0.04 -0.69 0.00 0.00 174.62 174.37 1mkg s MET 78 N -0.15 0.67 -0.53 4.92 1.00 -0.46 -4.92 119.30 119.83 1mkg s MET 78 Ca 0.06 -1.10 -0.22 0.00 0.00 0.00 0.00 55.69 54.43 1mkg s MET 78 Cb -0.12 -0.13 0.05 0.00 0.00 0.00 0.00 34.83 34.62 1mkg s MET 78 CO 0.02 -0.02 0.81 -0.65 0.00 0.00 0.00 175.02 175.18 1mkg s GLN 79 N -3.03 3.26 -0.15 2.03 -0.21 -1.26 -0.56 119.66 119.74 1mkg s GLN 79 Ca 0.03 -0.49 0.01 0.00 0.02 0.00 0.00 55.36 54.93 1mkg s GLN 79 Cb 0.00 -4.06 0.00 0.00 1.00 0.00 0.00 33.01 29.95 1mkg s GLN 79 CO -0.04 -1.36 -0.17 0.42 -2.12 0.00 0.00 175.29 172.03 1mkg s ILE 80 N 3.40 2.53 -0.42 1.08 1.09 -0.32 -4.88 121.20 123.68 1mkg s ILE 80 Ca 0.25 -0.82 -0.27 0.00 -1.10 0.00 0.00 60.65 58.70 1mkg s ILE 80 Cb -0.15 -2.06 -0.03 0.00 -1.06 0.00 0.00 42.46 39.16 1mkg s ILE 80 CO 0.17 0.52 1.97 -0.04 -0.10 0.00 0.00 174.94 177.46 1mkg s MET 81 N 0.78 2.91 -0.12 2.79 -1.94 -0.62 -2.20 119.30 120.90 1mkg s MET 81 Ca -0.06 1.28 -0.07 0.00 -1.71 0.00 0.00 55.69 55.13 1mkg s MET 81 Cb -0.15 -4.34 -0.04 0.00 2.01 0.00 0.00 34.83 32.31 1mkg s MET 81 CO 0.00 -2.37 0.14 1.03 -0.01 0.00 0.00 175.02 173.81 1mkg s ARG 82 N 6.57 3.46 -0.41 2.03 0.52 -0.51 -1.41 118.95 129.19 1mkg s ARG 82 Ca 0.82 -0.14 0.02 0.00 -0.52 0.00 0.00 55.73 55.91 1mkg s ARG 82 Cb -0.20 -3.19 0.13 0.00 0.52 0.00 0.00 34.95 32.20 1mkg s ARG 82 CO 0.29 0.77 0.20 0.42 0.02 0.00 0.00 175.30 177.00 1mkg s ILE 83 N -0.99 1.40 0.38 1.52 1.01 -0.45 -1.98 121.20 122.08 1mkg s ILE 83 Ca 0.15 -2.36 -0.28 0.00 0.00 0.00 0.00 60.65 58.15 1mkg s ILE 83 Cb -0.12 -2.00 -0.11 0.00 0.01 0.00 0.00 42.46 40.24 1mkg s ILE 83 CO 0.04 -0.84 1.48 -0.75 0.00 0.00 0.00 174.94 174.87 1mkg s LYS 84 N 0.59 4.12 0.12 2.79 2.47 -1.26 -2.86 119.74 125.71 1mkg s LYS 84 Ca 0.16 2.56 -0.34 0.00 -1.56 0.00 0.00 55.97 56.79 1mkg s LYS 84 Cb -0.23 -2.97 -0.13 0.00 -1.46 0.00 0.00 37.83 33.03 1mkg s LYS 84 CO -0.05 -0.52 1.63 -2.30 0.16 0.00 0.00 175.35 174.27 1mkg n PRO 85 N 0.47 2.16 -3.35 4.03 -0.02 -1.26 -1.84 135.00 135.18 1mkg n PRO 85 Ca 0.01 0.78 -0.16 0.00 -2.02 0.00 0.00 63.50 62.11 1mkg n PRO 85 Cb 0.39 -2.56 0.08 0.00 -0.02 0.00 0.00 33.50 31.40 1mkg n PRO 85 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1mkg n HIS 86 N 3.95 -2.08 -1.28 6.00 8.25 -1.26 -4.93 115.22 123.87 1mkg n HIS 86 Ca 0.18 0.89 0.00 0.00 -0.26 0.00 0.00 57.72 58.52 1mkg n HIS 86 Cb 0.29 -4.90 0.00 0.00 1.12 0.00 0.00 29.99 26.50 1mkg n HIS 86 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1mkg n GLN 87 N -3.97 0.00 0.00 -0.41 7.27 -0.77 -5.17 117.38 114.33 1mkg n GLN 87 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.81 1mkg n GLN 87 Cb 0.66 -0.10 0.00 0.00 2.41 0.00 0.00 30.24 33.21 1mkg n GLN 87 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1mkg n GLY 88 N 0.00 0.32 3.32 1.69 0.00 -1.26 -4.87 105.19 104.39 1mkg n GLY 88 Ca 0.00 -1.84 -0.46 0.00 0.00 0.00 0.00 46.02 43.72 1mkg n GLY 88 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1mkg s GLN 89 N -2.05 3.18 -0.17 1.61 0.74 -1.26 -3.99 119.66 117.72 1mkg s GLN 89 Ca 0.00 -1.92 -0.04 0.00 0.05 0.00 0.00 55.36 53.45 1mkg s GLN 89 Cb 0.00 -4.34 -0.03 0.00 1.10 0.00 0.00 33.01 29.74 1mkg s GLN 89 CO 0.00 -1.33 -0.03 -3.38 -0.55 0.00 0.00 175.29 170.00 1mkg s HIS 90 N 1.22 3.04 -1.01 1.67 -3.43 -0.84 -4.94 115.29 111.00 1mkg s HIS 90 Ca 0.08 -0.32 -0.19 0.00 -0.80 0.00 0.00 55.06 53.83 1mkg s HIS 90 Cb -0.24 -1.99 0.11 0.00 -1.43 0.00 0.00 32.58 29.04 1mkg s HIS 90 CO -0.01 -0.07 1.27 -1.50 -2.00 0.00 0.00 174.74 172.43 1mkg s ILE 91 N 0.50 4.56 0.39 -5.38 2.07 -1.26 -1.42 121.20 120.66 1mkg s ILE 91 Ca -0.03 -1.56 -0.05 0.00 -1.41 0.00 0.00 60.65 57.60 1mkg s ILE 91 Cb -0.14 -4.88 -0.05 0.00 0.13 0.00 0.00 42.46 37.52 1mkg s ILE 91 CO 0.03 -1.65 0.69 -0.83 -1.91 0.00 0.00 174.94 171.26 1mkg s GLY 92 N 3.86 1.67 0.14 1.50 0.00 -0.93 -4.72 107.32 108.84 1mkg s GLY 92 Ca 0.38 -0.51 -0.28 0.00 0.00 0.00 0.00 44.72 44.31 1mkg s GLY 92 CO -0.07 -0.37 0.89 -0.54 0.00 0.00 0.00 173.10 173.01 1mkg s GLU 93 N -4.16 4.68 -0.01 2.90 2.02 -1.26 -1.18 118.70 121.70 1mkg s GLU 93 Ca 0.46 1.35 0.04 0.00 0.02 0.00 0.00 54.97 56.84 1mkg s GLU 93 Cb -0.10 -3.33 -0.01 0.00 0.10 0.00 0.00 34.13 30.78 1mkg s GLU 93 CO 0.37 0.36 -0.14 -1.64 0.02 0.00 0.00 175.26 174.22 1mkg s MET 94 N -0.49 1.12 -0.22 1.61 -1.94 0.27 -4.92 119.30 114.73 1mkg s MET 94 Ca 0.42 -0.53 -0.10 0.00 -1.71 0.00 0.00 55.69 53.78 1mkg s MET 94 Cb -0.23 -1.09 -0.05 0.00 2.01 0.00 0.00 34.83 35.47 1mkg s MET 94 CO 0.29 0.30 0.13 -1.12 -0.01 0.00 0.00 175.02 174.60 1mkg s SER 95 N -0.41 5.94 0.04 3.03 0.01 -1.26 -1.36 113.70 119.69 1mkg s SER 95 Ca 0.05 0.09 0.09 0.00 1.31 0.00 0.00 55.95 57.49 1mkg s SER 95 Cb -0.06 -2.06 -0.03 0.00 0.21 0.00 0.00 66.02 64.09 1mkg s SER 95 CO -0.00 0.09 -0.26 -0.36 0.41 0.00 0.00 173.24 173.12 1mkg s PHE 96 N 0.88 2.27 -0.15 2.43 0.08 -0.24 -4.92 117.98 118.32 1mkg s PHE 96 Ca 0.06 -0.41 -0.29 0.00 0.12 0.00 0.00 56.93 56.41 1mkg s PHE 96 Cb -0.13 -1.37 -0.02 0.00 -0.57 0.00 0.00 43.02 40.93 1mkg s PHE 96 CO 0.03 0.10 1.28 -1.17 -0.10 0.00 0.00 175.22 175.36 1mkg s LEU 97 N -1.16 4.20 0.31 -0.37 2.96 -1.26 -1.02 118.68 122.33 1mkg s LEU 97 Ca 0.11 1.73 0.08 0.00 -0.22 0.00 0.00 54.13 55.83 1mkg s LEU 97 Cb -0.10 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.02 1mkg s LEU 97 CO 0.02 -0.76 0.21 -1.10 -1.32 0.00 0.00 176.35 173.40 1mkg s GLN 98 N 3.41 2.65 -0.26 1.98 -0.21 0.15 -4.84 119.66 122.53 1mkg s GLN 98 Ca 0.56 -1.31 0.01 0.00 0.02 0.00 0.00 55.36 54.64 1mkg s GLN 98 Cb -0.23 -2.40 0.05 0.00 1.00 0.00 0.00 33.01 31.43 1mkg s GLN 98 CO 0.16 0.19 -0.09 -1.01 -2.12 0.00 0.00 175.29 172.42 1mkg s HIS 99 N -2.30 3.19 0.08 0.91 3.76 -0.33 -2.20 115.29 118.40 1mkg s HIS 99 Ca 0.38 -2.07 -0.11 0.00 -0.15 0.00 0.00 55.06 53.11 1mkg s HIS 99 Cb -0.06 -1.98 -0.22 0.00 1.11 0.00 0.00 32.58 31.43 1mkg s HIS 99 CO 0.25 -0.84 1.18 -0.91 -0.85 0.00 0.00 174.74 173.57 1mkg h ASN 100 N 7.86 0.75 -5.06 1.40 4.21 0.57 -3.42 115.58 121.88 1mkg h ASN 100 Ca -0.24 -0.66 -0.14 0.00 1.21 0.00 0.00 56.30 56.47 1mkg h ASN 100 Cb 1.06 -0.23 -0.19 0.00 -1.12 0.00 0.00 38.32 37.84 1mkg h ASN 100 CO 0.51 1.47 -0.62 -0.54 -1.29 0.00 0.00 177.43 176.95 1mkg s LYS 101 N -3.10 0.47 0.03 0.81 1.02 -1.03 -4.88 119.74 113.06 1mkg s LYS 101 Ca -0.08 -0.76 -0.10 0.00 0.02 0.00 0.00 55.97 55.06 1mkg s LYS 101 Cb 0.07 0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.56 1mkg s LYS 101 CO 0.91 -0.10 0.20 0.00 -0.92 0.00 0.00 175.35 175.44 1mkg s ALA 102 N -2.29 -0.39 0.23 5.17 0.00 -1.26 -0.90 121.76 122.32 1mkg s ALA 102 Ca -0.08 -0.22 -0.22 0.00 0.00 0.00 0.00 51.96 51.43 1mkg s ALA 102 Cb -0.04 0.25 0.04 0.00 0.00 0.00 0.00 23.12 23.37 1mkg s ALA 102 CO -0.04 -0.34 0.78 -1.83 0.00 0.00 0.00 175.76 174.33 1mkg s GLU 103 N -2.34 1.57 0.02 0.00 -1.05 -0.57 -4.64 118.70 111.69 1mkg s GLU 103 Ca -0.07 -0.85 -0.30 0.00 -0.15 0.00 0.00 54.97 53.60 1mkg s GLU 103 Cb -0.02 0.55 -0.04 0.00 -0.44 0.00 0.00 34.13 34.18 1mkg s GLU 103 CO -0.03 -0.72 1.00 0.00 0.95 0.00 0.00 175.26 176.46 1mkg s ARG 105 N 0.88 0.94 0.26 0.00 1.81 -0.64 -4.90 118.95 117.30 1mkg s ARG 105 Ca 0.52 -1.30 -0.31 0.00 -1.72 0.00 0.00 55.73 52.92 1mkg s ARG 105 Cb -0.22 -0.55 -0.12 0.00 -0.45 0.00 0.00 34.95 33.60 1mkg s ARG 105 CO 0.28 0.07 1.54 -2.30 -0.68 0.00 0.00 175.30 174.22 1mkg n PRO 106 N 0.19 2.45 0.00 3.54 -0.02 -1.26 -1.11 135.00 138.79 1mkg n PRO 106 Ca -0.13 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1mkg n PRO 106 Cb 0.59 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1mkg n PRO 106 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11