#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 4.90 0.29 2.52 1.01 -1.26 -5.02 120.40 122.84 1mkg s VAL 15 Ca 0.00 1.92 -0.29 0.00 0.00 0.00 0.00 61.98 63.60 1mkg s VAL 15 Cb 0.00 -4.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.03 1mkg s VAL 15 CO 0.00 0.19 1.17 -0.54 0.00 0.00 0.00 175.10 175.92 1mkg s LYS 16 N 0.91 4.55 0.21 2.72 1.02 -1.26 -4.83 119.74 123.06 1mkg s LYS 16 Ca 0.48 1.94 -0.16 0.00 0.02 0.00 0.00 55.97 58.25 1mkg s LYS 16 Cb -0.20 -3.15 0.23 0.00 -0.52 0.00 0.00 37.83 34.18 1mkg s LYS 16 CO 0.26 0.08 1.59 0.35 -0.92 0.00 0.00 175.35 176.71 1mkg h PHE 17 N 3.74 -0.69 -0.83 3.18 3.57 -1.99 0.22 116.94 124.13 1mkg h PHE 17 Ca -0.47 0.07 0.10 0.00 3.53 0.00 0.00 57.97 61.21 1mkg h PHE 17 Cb 1.22 0.41 -0.06 0.00 2.79 0.00 0.00 35.95 40.31 1mkg h PHE 17 CO 0.58 -0.36 0.54 1.98 -2.23 0.00 0.00 178.31 178.82 1mkg h MET 18 N -0.07 0.73 0.16 1.11 4.05 -1.98 0.11 114.93 119.04 1mkg h MET 18 Ca 0.31 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.68 1mkg h MET 18 Cb 0.56 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.20 1mkg h MET 18 CO -0.77 0.48 -0.08 -0.44 0.23 0.00 0.00 176.91 176.34 1mkg h ASP 19 N 0.75 -0.18 -0.35 1.39 3.32 -1.03 -1.91 116.42 118.41 1mkg h ASP 19 Ca 0.39 -0.35 0.07 0.00 0.02 0.00 0.00 57.03 57.15 1mkg h ASP 19 Cb 0.49 0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.02 1mkg h ASP 19 CO -0.16 0.33 -0.05 0.58 -1.72 0.00 0.00 179.24 178.23 1mkg h VAL 20 N -0.77 0.69 -0.40 -1.35 2.07 -0.73 0.13 116.25 115.88 1mkg h VAL 20 Ca -0.02 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.54 1mkg h VAL 20 Cb 0.52 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 1mkg h VAL 20 CO 0.04 0.01 0.12 0.22 0.02 0.00 0.00 177.57 177.98 1mkg h TYR 21 N 0.04 0.21 -0.12 1.57 3.20 -0.86 -1.29 116.97 119.73 1mkg h TYR 21 Ca 0.17 0.02 -0.23 0.00 3.14 0.00 0.00 58.73 61.83 1mkg h TYR 21 Cb 0.25 -0.04 0.01 0.00 1.54 0.00 0.00 36.73 38.50 1mkg h TYR 21 CO -0.29 0.07 -0.84 0.37 -1.64 0.00 0.00 178.16 175.83 1mkg h GLN 22 N 0.27 0.77 -0.13 1.82 4.15 -0.79 -3.23 115.11 117.97 1mkg h GLN 22 Ca 0.19 -0.68 -0.10 0.00 0.77 0.00 0.00 58.65 58.83 1mkg h GLN 22 Cb 0.19 0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 1mkg h GLN 22 CO -0.21 1.27 -0.37 0.00 -1.93 0.00 0.00 178.83 177.59 1mkg h ARG 23 N 0.51 0.28 -0.29 1.69 3.08 -0.61 -2.92 114.38 116.12 1mkg h ARG 23 Ca -0.07 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1mkg h ARG 23 Cb 1.48 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.52 1mkg h ARG 23 CO 0.17 0.62 0.00 -1.13 -1.07 0.00 0.00 179.97 178.56 1mkg n SER 24 N -4.06 2.19 -4.67 7.04 3.41 -0.50 -4.88 113.62 112.14 1mkg n SER 24 Ca -0.01 -1.85 -0.42 0.00 -0.26 0.00 0.00 58.87 56.33 1mkg n SER 24 Cb 0.45 -0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.18 1mkg n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1mkg s TYR 25 N -1.62 3.43 0.00 7.33 6.14 -1.11 -1.40 117.35 130.12 1mkg s TYR 25 Ca 0.32 1.31 0.00 0.00 0.64 0.00 0.00 57.07 59.34 1mkg s TYR 25 Cb 0.18 -3.05 0.00 0.00 0.42 0.00 0.00 41.96 39.50 1mkg s TYR 25 CO 0.25 -0.25 0.00 0.00 0.64 0.00 0.00 175.55 176.19 1mkg s HIS 27 N 0.00 -0.03 -0.20 0.00 -3.43 -0.59 -4.76 115.29 106.27 1mkg s HIS 27 Ca 0.00 -0.27 -0.29 0.00 -0.80 0.00 0.00 55.06 53.70 1mkg s HIS 27 Cb 0.00 0.64 0.00 0.00 -1.43 0.00 0.00 32.58 31.79 1mkg s HIS 27 CO 0.00 -0.74 1.10 -2.14 -2.00 0.00 0.00 174.74 170.96 1mkg s PRO 28 N -2.65 4.26 -0.03 -0.38 0.02 -1.26 -0.68 135.00 134.27 1mkg s PRO 28 Ca 0.17 1.45 0.07 0.00 0.02 0.00 0.00 61.00 62.70 1mkg s PRO 28 Cb -0.01 -3.67 -0.01 0.00 0.02 0.00 0.00 34.50 30.83 1mkg s PRO 28 CO 0.02 -0.63 -0.23 -1.50 -0.33 0.00 0.00 177.00 174.33 1mkg s ILE 29 N 3.20 1.87 -0.06 2.83 1.10 0.69 -4.78 121.20 126.05 1mkg s ILE 29 Ca 0.47 -0.99 -0.36 0.00 -0.51 0.00 0.00 60.65 59.27 1mkg s ILE 29 Cb -0.17 -1.57 -0.14 0.00 0.15 0.00 0.00 42.46 40.73 1mkg s ILE 29 CO 0.09 0.53 1.73 1.21 -2.11 0.00 0.00 174.94 176.39 1mkg n GLU 30 N 2.73 1.85 -4.48 3.50 2.13 -1.26 -2.14 120.64 122.96 1mkg n GLU 30 Ca -0.17 0.67 -0.22 0.00 0.66 0.00 0.00 57.16 58.11 1mkg n GLU 30 Cb 0.52 -2.45 -0.16 0.00 0.27 0.00 0.00 31.44 29.63 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 2.90 0.92 -0.33 6.31 2.01 0.10 -4.91 115.64 122.65 1mkg s THR 31 Ca 0.90 -0.43 -0.24 0.00 0.31 0.00 0.00 61.69 62.23 1mkg s THR 31 Cb -0.80 -0.81 0.01 0.00 0.01 0.00 0.00 72.50 70.91 1mkg s THR 31 CO 0.51 0.28 0.83 -0.76 -0.69 0.00 0.00 174.62 174.79 1mkg s LEU 32 N 0.20 4.07 -0.08 4.42 1.43 -1.26 -0.10 118.68 127.36 1mkg s LEU 32 Ca -0.04 0.63 0.02 0.00 -1.03 0.00 0.00 54.13 53.71 1mkg s LEU 32 Cb -0.10 -3.13 -0.02 0.00 0.03 0.00 0.00 46.19 42.97 1mkg s LEU 32 CO 0.01 -0.69 -0.13 -0.69 0.23 0.00 0.00 176.35 175.07 1mkg s VAL 33 N 3.12 3.09 -0.00 -1.59 1.01 0.38 -4.91 120.40 121.51 1mkg s VAL 33 Ca 0.34 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 1mkg s VAL 33 Cb -0.13 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 1mkg s VAL 33 CO 0.14 0.57 1.31 -1.81 0.00 0.00 0.00 175.10 175.31 1mkg s ASP 34 N -0.33 6.94 0.42 3.32 1.01 -1.26 -0.58 116.67 126.19 1mkg s ASP 34 Ca 0.03 2.02 0.12 0.00 0.71 0.00 0.00 52.55 55.43 1mkg s ASP 34 Cb -0.13 -2.56 0.97 0.00 1.01 0.00 0.00 42.92 42.21 1mkg s ASP 34 CO 0.02 -0.64 1.97 0.40 0.21 0.00 0.00 175.17 177.13 1mkg h ILE 35 N 4.86 0.91 0.00 0.77 2.04 -1.31 -0.96 117.51 123.82 1mkg h ILE 35 Ca -0.37 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 1mkg h ILE 35 Cb 1.18 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1mkg h ILE 35 CO 0.88 0.09 -0.16 2.19 0.00 0.00 0.00 178.15 181.15 1mkg h PHE 36 N 0.48 0.00 0.00 1.37 -5.15 -1.85 0.53 116.94 112.32 1mkg h PHE 36 Ca 0.29 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.98 1mkg h PHE 36 Cb 0.50 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.66 1mkg h PHE 36 CO -0.00 0.16 -0.37 0.37 -2.00 0.00 0.00 178.31 176.47 1mkg h GLN 37 N 0.00 0.00 0.00 6.09 4.15 -1.56 -1.21 115.11 122.58 1mkg h GLN 37 Ca -0.00 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.22 1mkg h GLN 37 Cb 0.42 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.08 1mkg h GLN 37 CO 0.02 0.37 -1.82 0.39 -1.93 0.00 0.00 178.83 175.86 1mkg n GLU 38 N -3.49 0.65 -3.13 1.69 -0.58 -0.60 -4.54 120.64 110.64 1mkg n GLU 38 Ca 0.00 0.08 -0.22 0.00 -0.42 0.00 0.00 57.16 56.60 1mkg n GLU 38 Cb 0.52 -1.67 -0.04 0.00 -0.57 0.00 0.00 31.44 29.68 1mkg n GLU 38 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1mkg n TYR 39 N -2.74 1.50 0.27 -0.32 4.02 0.08 -4.94 117.16 115.03 1mkg n TYR 39 Ca -0.16 -3.87 0.18 0.00 -0.01 0.00 0.00 57.90 54.04 1mkg n TYR 39 Cb 0.89 -0.44 0.94 0.00 -0.02 0.00 0.00 39.34 40.71 1mkg n TYR 39 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1mkg h PRO 40 N 3.19 0.00 0.00 -0.72 0.13 -1.45 -0.74 132.00 132.40 1mkg h PRO 40 Ca 0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 1mkg h PRO 40 Cb 0.80 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 1mkg h PRO 40 CO 0.61 0.00 -0.03 -0.44 -0.23 0.00 0.00 178.00 177.91 1mkg h ASP 41 N 0.00 0.00 -0.50 1.44 3.32 -1.92 -3.28 116.42 115.48 1mkg h ASP 41 Ca 0.03 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.75 1mkg h ASP 41 Cb 0.26 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.66 1mkg h ASP 41 CO -0.00 0.03 0.43 -0.62 -1.72 0.00 0.00 179.24 177.36 1mkg n GLU 42 N -3.14 1.84 0.24 3.56 1.02 -0.29 -4.55 120.64 119.32 1mkg n GLU 42 Ca 0.01 -1.62 0.09 0.00 -0.02 0.00 0.00 57.16 55.62 1mkg n GLU 42 Cb 0.33 -1.64 0.62 0.00 -0.02 0.00 0.00 31.44 30.73 1mkg n GLU 42 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1mkg h ILE 43 N 1.03 0.91 0.00 -3.67 3.07 -1.78 -2.62 117.51 114.44 1mkg h ILE 43 Ca 0.30 -0.49 0.00 0.00 1.55 0.00 0.00 64.86 66.22 1mkg h ILE 43 Cb 0.90 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 38.73 1mkg h ILE 43 CO 0.78 0.13 0.00 -1.84 -1.05 0.00 0.00 178.15 176.17 1mkg n GLU 44 N -4.10 0.01 -4.12 0.16 0.00 -1.26 -4.76 120.64 106.57 1mkg n GLU 44 Ca -0.02 0.26 -0.25 0.00 0.00 0.00 0.00 57.16 57.15 1mkg n GLU 44 Cb 0.21 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.10 1mkg n GLU 44 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1mkg s TYR 45 N -2.98 3.08 -0.11 -1.84 1.51 -0.99 -4.48 117.35 111.54 1mkg s TYR 45 Ca 0.07 -0.07 0.00 0.00 -1.01 0.00 0.00 57.07 56.06 1mkg s TYR 45 Cb 0.09 -1.45 -0.02 0.00 -0.11 0.00 0.00 41.96 40.47 1mkg s TYR 45 CO 0.25 0.52 -0.11 0.42 -1.11 0.00 0.00 175.55 175.52 1mkg s ILE 46 N -1.88 3.26 -0.09 2.71 1.01 0.43 -4.93 121.20 121.71 1mkg s ILE 46 Ca 0.31 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 1mkg s ILE 46 Cb -0.09 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 1mkg s ILE 46 CO 0.23 0.54 -0.01 -0.36 0.00 0.00 0.00 174.94 175.34 1mkg s PHE 47 N 0.03 3.13 -0.12 3.97 0.40 -1.26 0.08 117.98 124.20 1mkg s PHE 47 Ca -0.03 0.16 -0.02 0.00 -0.60 0.00 0.00 56.93 56.44 1mkg s PHE 47 Cb -0.14 -1.79 0.04 0.00 0.51 0.00 0.00 43.02 41.64 1mkg s PHE 47 CO 0.04 0.43 -0.00 0.21 0.70 0.00 0.00 175.22 176.60 1mkg s LYS 48 N -0.82 0.82 0.83 0.44 2.20 -0.80 -2.13 119.74 120.28 1mkg s LYS 48 Ca 0.12 -0.15 -0.11 0.00 -0.36 0.00 0.00 55.97 55.47 1mkg s LYS 48 Cb -0.11 -1.48 0.09 0.00 -1.51 0.00 0.00 37.83 34.82 1mkg s LYS 48 CO 0.02 -0.41 1.09 -1.25 -0.36 0.00 0.00 175.35 174.44 1mkg s PRO 49 N 1.87 1.76 0.00 4.03 0.04 -1.26 -1.74 135.00 139.70 1mkg s PRO 49 Ca 0.03 0.98 0.27 0.00 0.04 0.00 0.00 61.00 62.31 1mkg s PRO 49 Cb -0.14 -1.85 0.83 0.00 0.04 0.00 0.00 34.50 33.38 1mkg s PRO 49 CO -0.07 -1.93 1.64 -1.13 0.04 0.00 0.00 177.00 175.55 1mkg n SER 50 N -3.70 0.32 -4.12 6.66 3.41 -0.91 -4.86 113.62 110.42 1mkg n SER 50 Ca 0.08 0.01 -0.14 0.00 -0.26 0.00 0.00 58.87 58.55 1mkg n SER 50 Cb 0.54 -0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 64.32 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 -1.75 1.68 -0.12 0.00 -7.23 0.26 -4.89 120.40 108.33 1mkg s VAL 52 Ca -0.03 -1.57 -0.28 0.00 -1.81 0.00 0.00 61.98 58.28 1mkg s VAL 52 Cb -0.07 -1.55 -0.01 0.00 0.56 0.00 0.00 36.38 35.30 1mkg s VAL 52 CO 0.00 -0.11 0.96 -2.16 -0.31 0.00 0.00 175.10 173.49 1mkg s PRO 53 N -2.01 4.39 -0.01 4.82 0.04 -1.26 -0.47 135.00 140.51 1mkg s PRO 53 Ca 0.07 1.29 0.01 0.00 0.04 0.00 0.00 61.00 62.41 1mkg s PRO 53 Cb -0.09 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.90 1mkg s PRO 53 CO 0.04 -0.32 -0.03 -0.51 0.04 0.00 0.00 177.00 176.23 1mkg s LEU 54 N 2.06 1.89 -0.13 -3.56 1.43 0.86 -4.90 118.68 116.32 1mkg s LEU 54 Ca 0.46 -0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 53.21 1mkg s LEU 54 Cb -0.18 -0.17 -0.03 0.00 0.03 0.00 0.00 46.19 45.84 1mkg s LEU 54 CO 0.16 0.02 1.52 -0.04 0.23 0.00 0.00 176.35 178.24 1mkg s MET 55 N 0.08 4.10 0.02 1.70 -1.94 -1.26 0.01 119.30 122.02 1mkg s MET 55 Ca -0.00 1.88 0.01 0.00 -1.71 0.00 0.00 55.69 55.87 1mkg s MET 55 Cb -0.03 -3.93 -0.02 0.00 2.01 0.00 0.00 34.83 32.87 1mkg s MET 55 CO -0.00 -0.91 -0.04 1.03 -0.01 0.00 0.00 175.02 175.08 1mkg s ARG 56 N 4.02 0.35 0.29 2.03 1.81 -0.91 -0.49 118.95 126.05 1mkg s ARG 56 Ca 0.67 -0.52 -0.30 0.00 -1.72 0.00 0.00 55.73 53.86 1mkg s ARG 56 Cb -0.27 -0.10 -0.11 0.00 -0.45 0.00 0.00 34.95 34.01 1mkg s ARG 56 CO 0.25 0.01 1.60 0.00 -0.68 0.00 0.00 175.30 176.47 1mkg s ALA 57 N -1.05 3.75 0.31 2.13 0.00 -1.26 -0.22 121.76 125.42 1mkg s ALA 57 Ca -0.09 1.58 -0.18 0.00 0.00 0.00 0.00 51.96 53.27 1mkg s ALA 57 Cb -0.08 -3.65 0.03 0.00 0.00 0.00 0.00 23.12 19.42 1mkg s ALA 57 CO -0.00 -0.99 0.71 0.20 0.00 0.00 0.00 175.76 175.67 1mkg s GLY 58 N 0.50 0.19 0.00 0.00 0.00 0.14 -4.85 107.32 103.31 1mkg s GLY 58 Ca 0.63 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.79 1mkg s GLY 58 CO 0.48 -0.26 0.00 0.61 0.00 0.00 0.00 173.10 173.93 1mkg n GLY 59 N -0.48 1.36 3.95 0.20 0.00 -1.26 -1.55 105.19 107.41 1mkg n GLY 59 Ca -0.05 -1.93 -0.20 0.00 0.00 0.00 0.00 46.02 43.84 1mkg n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mkg h ASN 62 N 3.90 0.00 -3.20 0.00 2.35 -1.98 -3.44 115.58 113.21 1mkg h ASN 62 Ca -0.49 -0.86 -0.57 0.00 -0.55 0.00 0.00 56.30 53.83 1mkg h ASN 62 Cb 1.17 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.48 1mkg h ASN 62 CO 0.47 0.93 0.99 -1.81 -1.65 0.00 0.00 177.43 176.36 1mkg s ASP 63 N -6.13 6.61 0.66 5.81 1.01 -1.26 -4.89 116.67 118.47 1mkg s ASP 63 Ca -0.16 1.09 0.20 0.00 0.71 0.00 0.00 52.55 54.38 1mkg s ASP 63 Cb -0.03 -2.54 1.08 0.00 1.01 0.00 0.00 42.92 42.44 1mkg s ASP 63 CO 0.59 -1.16 1.60 -0.08 0.21 0.00 0.00 175.17 176.34 1mkg h GLU 64 N 9.55 0.00 0.00 8.23 4.57 -2.04 0.72 114.58 135.62 1mkg h GLU 64 Ca -0.26 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 57.78 1mkg h GLU 64 Cb 1.10 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.67 1mkg h GLU 64 CO 1.05 0.00 -0.67 0.78 -1.18 0.00 0.00 179.01 178.99 1mkg h GLY 65 N 0.00 0.00 -2.21 1.92 0.00 -1.96 -3.46 103.07 97.36 1mkg h GLY 65 Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.92 1mkg h GLY 65 CO -0.00 0.00 -0.15 1.08 0.00 0.00 0.00 176.54 177.47 1mkg s LEU 66 N -7.22 3.54 0.04 3.11 1.43 0.24 -1.74 118.68 118.09 1mkg s LEU 66 Ca -0.00 -0.12 -0.14 0.00 -1.03 0.00 0.00 54.13 52.84 1mkg s LEU 66 Cb 0.11 -2.83 0.02 0.00 0.03 0.00 0.00 46.19 43.52 1mkg s LEU 66 CO 0.76 -0.87 0.30 -1.83 0.23 0.00 0.00 176.35 174.95 1mkg s GLU 67 N -4.53 0.81 0.03 1.70 -1.05 -0.31 -4.80 118.70 110.56 1mkg s GLU 67 Ca 0.54 -0.51 -0.30 0.00 -0.15 0.00 0.00 54.97 54.55 1mkg s GLU 67 Cb -0.10 0.35 -0.04 0.00 -0.44 0.00 0.00 34.13 33.90 1mkg s GLU 67 CO 0.36 -0.26 1.01 0.00 0.95 0.00 0.00 175.26 177.32 1mkg s VAL 69 N 0.84 0.03 0.54 0.00 1.01 -0.86 -4.97 120.40 116.98 1mkg s VAL 69 Ca 0.52 -0.23 -0.21 0.00 0.00 0.00 0.00 61.98 62.06 1mkg s VAL 69 Cb -0.23 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 1mkg s VAL 69 CO 0.29 -0.13 1.26 -2.16 0.00 0.00 0.00 175.10 174.36 1mkg s PRO 70 N -0.66 3.26 0.00 2.72 0.04 -1.26 -2.31 135.00 136.78 1mkg s PRO 70 Ca -0.08 1.98 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1mkg s PRO 70 Cb -0.04 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1mkg s PRO 70 CO 0.03 -1.02 0.00 0.25 0.04 0.00 0.00 177.00 176.30 1mkg n THR 71 N -1.05 0.00 -4.27 1.26 -2.24 -0.63 -4.87 114.28 102.48 1mkg n THR 71 Ca 0.11 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.63 1mkg n THR 71 Cb 0.47 -0.66 -0.17 0.00 -2.10 0.00 0.00 70.33 67.87 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 -1.72 1.59 0.38 -0.78 2.12 -1.15 -4.99 118.70 114.15 1mkg s GLU 72 Ca 0.00 -0.33 0.05 0.00 0.36 0.00 0.00 54.97 55.05 1mkg s GLU 72 Cb 0.00 -1.46 -0.07 0.00 0.26 0.00 0.00 34.13 32.86 1mkg s GLU 72 CO 0.00 -0.11 0.03 -1.21 -0.54 0.00 0.00 175.26 173.44 1mkg s GLU 73 N 1.13 1.84 0.03 4.30 2.02 -1.26 -0.94 118.70 125.81 1mkg s GLU 73 Ca -0.06 -2.04 -0.29 0.00 0.02 0.00 0.00 54.97 52.61 1mkg s GLU 73 Cb -0.14 -1.30 0.10 0.00 0.10 0.00 0.00 34.13 32.89 1mkg s GLU 73 CO -0.02 -0.12 1.21 -1.54 0.02 0.00 0.00 175.26 174.81 1mkg s SER 74 N -3.62 -0.07 -0.04 -0.19 1.04 -1.17 -4.85 113.70 104.79 1mkg s SER 74 Ca 0.35 -0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.58 1mkg s SER 74 Cb 0.09 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 1mkg s SER 74 CO 0.17 -0.46 -0.12 0.20 0.98 0.00 0.00 173.24 174.00 1mkg s ASN 75 N -3.09 4.20 0.00 7.02 0.02 -1.26 -0.59 114.94 121.25 1mkg s ASN 75 Ca 0.16 -0.17 0.08 0.00 -1.02 0.00 0.00 52.86 51.91 1mkg s ASN 75 Cb 0.03 -0.92 -0.02 0.00 0.02 0.00 0.00 41.25 40.35 1mkg s ASN 75 CO -0.02 0.34 -0.25 -0.51 0.02 0.00 0.00 177.10 176.68 1mkg s ILE 76 N -0.78 2.19 -0.14 0.60 2.07 -0.43 -4.93 121.20 119.77 1mkg s ILE 76 Ca 0.12 -1.19 -0.05 0.00 -1.41 0.00 0.00 60.65 58.13 1mkg s ILE 76 Cb -0.11 -1.80 -0.03 0.00 0.13 0.00 0.00 42.46 40.64 1mkg s ILE 76 CO 0.02 0.49 0.02 -0.89 -1.91 0.00 0.00 174.94 172.67 1mkg s THR 77 N -0.70 4.44 0.03 4.00 2.01 -1.26 -1.21 115.64 122.94 1mkg s THR 77 Ca 0.11 -0.17 0.04 0.00 0.31 0.00 0.00 61.69 61.97 1mkg s THR 77 Cb -0.10 -2.94 -0.02 0.00 0.01 0.00 0.00 72.50 69.45 1mkg s THR 77 CO 0.01 0.52 -0.11 -0.04 -0.69 0.00 0.00 174.62 174.30 1mkg s MET 78 N -0.09 0.78 -0.32 4.92 -1.94 -0.56 -4.95 119.30 117.15 1mkg s MET 78 Ca 0.05 -0.64 -0.29 0.00 -1.71 0.00 0.00 55.69 53.11 1mkg s MET 78 Cb -0.12 -0.74 0.02 0.00 2.01 0.00 0.00 34.83 35.99 1mkg s MET 78 CO 0.02 0.18 1.06 -0.65 -0.01 0.00 0.00 175.02 175.62 1mkg s GLN 79 N -0.98 4.06 -0.03 2.03 -0.21 -1.26 -1.00 119.66 122.27 1mkg s GLN 79 Ca -0.00 1.04 0.06 0.00 0.02 0.00 0.00 55.36 56.48 1mkg s GLN 79 Cb -0.07 -3.74 -0.01 0.00 1.00 0.00 0.00 33.01 30.19 1mkg s GLN 79 CO 0.01 -0.89 -0.21 0.42 -2.12 0.00 0.00 175.29 172.50 1mkg s ILE 80 N 3.61 1.65 -0.03 1.08 -1.09 0.17 -4.89 121.20 121.70 1mkg s ILE 80 Ca 0.45 -0.87 -0.28 0.00 -2.23 0.00 0.00 60.65 57.71 1mkg s ILE 80 Cb -0.12 -1.38 -0.03 0.00 -1.58 0.00 0.00 42.46 39.35 1mkg s ILE 80 CO 0.15 0.47 0.90 -0.32 -1.23 0.00 0.00 174.94 174.91 1mkg s MET 81 N -0.35 4.51 -0.16 2.79 -2.45 -0.71 -0.75 119.30 122.18 1mkg s MET 81 Ca 0.04 1.26 -0.03 0.00 -1.25 0.00 0.00 55.69 55.72 1mkg s MET 81 Cb -0.09 -3.46 -0.02 0.00 1.25 0.00 0.00 34.83 32.50 1mkg s MET 81 CO 0.00 -0.04 -0.06 -0.98 1.05 0.00 0.00 175.02 174.99 1mkg s ARG 82 N 1.03 3.55 -0.18 4.11 1.70 0.88 -1.91 118.95 128.13 1mkg s ARG 82 Ca 0.48 -0.58 -0.03 0.00 -0.47 0.00 0.00 55.73 55.13 1mkg s ARG 82 Cb -0.20 -2.85 -0.02 0.00 -0.57 0.00 0.00 34.95 31.31 1mkg s ARG 82 CO 0.24 0.17 -0.06 0.42 -1.08 0.00 0.00 175.30 174.99 1mkg s ILE 83 N 0.53 3.46 -0.46 4.99 1.01 0.11 -2.20 121.20 128.64 1mkg s ILE 83 Ca -0.05 -0.49 -0.11 0.00 0.00 0.00 0.00 60.65 60.00 1mkg s ILE 83 Cb -0.15 -2.53 0.10 0.00 0.01 0.00 0.00 42.46 39.89 1mkg s ILE 83 CO 0.03 0.46 0.34 -0.75 0.00 0.00 0.00 174.94 175.02 1mkg s LYS 84 N 0.91 2.68 -0.18 2.79 2.47 -0.90 -0.43 119.74 127.08 1mkg s LYS 84 Ca -0.01 -1.56 -0.41 0.00 -1.56 0.00 0.00 55.97 52.44 1mkg s LYS 84 Cb -0.15 -3.95 -0.18 0.00 -1.46 0.00 0.00 37.83 32.10 1mkg s LYS 84 CO 0.01 -1.08 1.48 -2.30 0.16 0.00 0.00 175.35 173.62 1mkg n PRO 85 N 5.01 0.69 -0.96 4.03 -0.02 -1.26 -0.59 135.00 141.89 1mkg n PRO 85 Ca -0.10 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1mkg n PRO 85 Cb 0.42 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 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 3.60 0.00 -2.68 6.00 8.25 -1.26 -4.89 115.22 124.24 1mkg n HIS 86 Ca 0.24 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.61 1mkg n HIS 86 Cb 0.10 -0.24 0.06 0.00 1.12 0.00 0.00 29.99 31.02 1mkg n HIS 86 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1mkg n GLN 87 N -2.19 1.15 -0.08 -0.41 3.00 0.24 -5.14 117.38 113.95 1mkg n GLN 87 Ca 0.00 -2.83 0.01 0.00 -0.01 0.00 0.00 57.00 54.17 1mkg n GLN 87 Cb 0.03 -0.90 -0.00 0.00 0.00 0.00 0.00 30.24 29.37 1mkg n GLN 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1mkg n GLY 88 N -0.21 -2.13 3.47 1.08 0.00 -1.24 -4.69 105.19 101.47 1mkg n GLY 88 Ca 0.06 -1.45 -0.17 0.00 0.00 0.00 0.00 46.02 44.46 1mkg n GLY 88 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mkg s GLN 89 N -0.64 1.04 0.02 1.61 -2.07 -1.26 -2.13 119.66 116.22 1mkg s GLN 89 Ca 0.00 0.09 -0.22 0.00 -1.82 0.00 0.00 55.36 53.42 1mkg s GLN 89 Cb 0.00 0.48 0.05 0.00 -1.09 0.00 0.00 33.01 32.45 1mkg s GLN 89 CO 0.00 -0.34 0.48 -1.01 -1.32 0.00 0.00 175.29 173.10 1mkg s HIS 90 N -1.57 -0.38 -0.15 9.60 3.76 -0.93 -4.97 115.29 120.65 1mkg s HIS 90 Ca -0.10 0.50 -0.17 0.00 -0.15 0.00 0.00 55.06 55.14 1mkg s HIS 90 Cb -0.01 0.28 -0.04 0.00 1.11 0.00 0.00 32.58 33.92 1mkg s HIS 90 CO 0.06 -0.57 0.42 0.42 -0.85 0.00 0.00 174.74 174.23 1mkg s ILE 91 N -2.00 5.21 0.16 0.60 1.01 -1.26 -0.08 121.20 124.84 1mkg s ILE 91 Ca -0.08 0.82 -0.04 0.00 0.00 0.00 0.00 60.65 61.35 1mkg s ILE 91 Cb -0.01 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 1mkg s ILE 91 CO 0.02 0.32 0.16 -0.83 0.00 0.00 0.00 174.94 174.60 1mkg s GLY 92 N 0.69 0.92 0.09 6.18 0.00 0.07 -4.92 107.32 110.34 1mkg s GLY 92 Ca 0.23 -1.33 -0.21 0.00 0.00 0.00 0.00 44.72 43.41 1mkg s GLY 92 CO 0.08 -1.19 0.63 -0.54 0.00 0.00 0.00 173.10 172.08 1mkg s GLU 93 N -4.05 4.31 0.05 2.90 2.02 -1.26 0.46 118.70 123.14 1mkg s GLU 93 Ca 0.25 0.85 0.04 0.00 0.02 0.00 0.00 54.97 56.13 1mkg s GLU 93 Cb 0.06 -3.26 -0.03 0.00 0.10 0.00 0.00 34.13 31.00 1mkg s GLU 93 CO 0.04 0.58 -0.12 -1.64 0.02 0.00 0.00 175.26 174.14 1mkg s MET 94 N -0.98 0.72 -0.16 1.61 -1.94 -0.17 -4.92 119.30 113.46 1mkg s MET 94 Ca 0.31 -0.83 -0.08 0.00 -1.71 0.00 0.00 55.69 53.38 1mkg s MET 94 Cb -0.20 -0.64 -0.04 0.00 2.01 0.00 0.00 34.83 35.95 1mkg s MET 94 CO 0.21 0.14 0.11 -1.12 -0.01 0.00 0.00 175.02 174.35 1mkg s SER 95 N -1.54 6.07 0.03 3.03 0.01 -1.26 -1.50 113.70 118.53 1mkg s SER 95 Ca -0.04 0.28 0.05 0.00 1.31 0.00 0.00 55.95 57.54 1mkg s SER 95 Cb -0.09 -2.00 -0.02 0.00 0.21 0.00 0.00 66.02 64.11 1mkg s SER 95 CO 0.01 0.28 -0.14 -0.36 0.41 0.00 0.00 173.24 173.44 1mkg s PHE 96 N -0.24 1.22 -0.22 2.43 0.08 -0.35 -4.94 117.98 115.96 1mkg s PHE 96 Ca 0.10 -0.32 -0.29 0.00 0.12 0.00 0.00 56.93 56.54 1mkg s PHE 96 Cb -0.12 -0.74 0.01 0.00 -0.57 0.00 0.00 43.02 41.60 1mkg s PHE 96 CO 0.01 0.02 1.02 -1.17 -0.10 0.00 0.00 175.22 175.00 1mkg s LEU 97 N -0.95 4.11 0.36 -0.37 2.96 -1.26 -1.32 118.68 122.21 1mkg s LEU 97 Ca 0.02 1.36 0.07 0.00 -0.22 0.00 0.00 54.13 55.36 1mkg s LEU 97 Cb -0.07 -3.51 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 1mkg s LEU 97 CO 0.01 -0.64 0.37 -1.10 -1.32 0.00 0.00 176.35 173.67 1mkg s GLN 98 N 3.08 2.79 -0.28 1.98 -0.21 0.25 -4.86 119.66 122.41 1mkg s GLN 98 Ca 0.43 -1.27 0.03 0.00 0.02 0.00 0.00 55.36 54.57 1mkg s GLN 98 Cb -0.15 -2.56 0.07 0.00 1.00 0.00 0.00 33.01 31.37 1mkg s GLN 98 CO 0.07 0.01 -0.06 -1.01 -2.12 0.00 0.00 175.29 172.18 1mkg s HIS 99 N -2.31 3.19 0.23 0.91 3.76 0.35 -3.03 115.29 118.39 1mkg s HIS 99 Ca 0.44 -2.37 0.06 0.00 -0.15 0.00 0.00 55.06 53.04 1mkg s HIS 99 Cb -0.07 -2.10 0.23 0.00 1.11 0.00 0.00 32.58 31.76 1mkg s HIS 99 CO 0.28 -0.88 1.54 -0.91 -0.85 0.00 0.00 174.74 173.93 1mkg h ASN 100 N 7.77 0.19 -5.05 1.40 4.21 -1.35 -3.42 115.58 119.33 1mkg h ASN 100 Ca -0.15 -0.12 -0.09 0.00 1.21 0.00 0.00 56.30 57.15 1mkg h ASN 100 Cb 1.04 -0.06 -0.17 0.00 -1.12 0.00 0.00 38.32 38.02 1mkg h ASN 100 CO 0.47 0.79 -0.24 -0.54 -1.29 0.00 0.00 177.43 176.62 1mkg s LYS 101 N -3.62 0.82 0.06 0.81 1.02 -1.21 -4.91 119.74 112.71 1mkg s LYS 101 Ca -0.03 -0.51 -0.19 0.00 0.02 0.00 0.00 55.97 55.26 1mkg s LYS 101 Cb 0.12 0.35 0.04 0.00 -0.52 0.00 0.00 37.83 37.82 1mkg s LYS 101 CO 0.79 -0.26 0.43 0.00 -0.92 0.00 0.00 175.35 175.39 1mkg s ALA 102 N -2.58 -1.06 0.25 5.17 0.00 -1.26 -1.60 121.76 120.68 1mkg s ALA 102 Ca -0.05 0.30 -0.18 0.00 0.00 0.00 0.00 51.96 52.03 1mkg s ALA 102 Cb -0.01 0.42 0.02 0.00 0.00 0.00 0.00 23.12 23.55 1mkg s ALA 102 CO -0.04 -0.50 0.62 -1.83 0.00 0.00 0.00 175.76 174.02 1mkg s GLU 103 N -2.72 1.65 0.23 0.00 -1.05 -0.98 -4.67 118.70 111.16 1mkg s GLU 103 Ca -0.04 -1.02 -0.28 0.00 -0.15 0.00 0.00 54.97 53.48 1mkg s GLU 103 Cb -0.00 0.56 -0.09 0.00 -0.44 0.00 0.00 34.13 34.16 1mkg s GLU 103 CO -0.04 -0.73 0.90 0.00 0.95 0.00 0.00 175.26 176.34 1mkg s ARG 105 N -1.26 0.67 -0.22 0.00 0.52 -0.06 -4.80 118.95 113.80 1mkg s ARG 105 Ca 0.41 -0.56 -0.39 0.00 -0.52 0.00 0.00 55.73 54.66 1mkg s ARG 105 Cb -0.25 0.28 -0.15 0.00 0.52 0.00 0.00 34.95 35.36 1mkg s ARG 105 CO 0.30 -0.19 1.74 -2.30 0.02 0.00 0.00 175.30 174.87 1mkg n PRO 106 N 0.81 1.32 0.00 3.54 -0.02 -1.26 -1.16 135.00 138.23 1mkg n PRO 106 Ca -0.19 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1mkg n PRO 106 Cb 0.58 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1mkg n PRO 106 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11