#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 3.93 0.31 2.52 1.01 -1.26 -5.00 120.40 121.92 1mkg s VAL 15 Ca 0.00 1.53 -0.29 0.00 0.00 0.00 0.00 61.98 63.22 1mkg s VAL 15 Cb 0.00 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 1mkg s VAL 15 CO 0.00 0.20 1.25 -0.54 0.00 0.00 0.00 175.10 176.01 1mkg s LYS 16 N 0.25 4.44 0.28 2.72 3.01 -1.26 -4.85 119.74 124.32 1mkg s LYS 16 Ca 0.53 2.10 0.02 0.00 -1.01 0.00 0.00 55.97 57.61 1mkg s LYS 16 Cb -0.29 -3.11 0.65 0.00 -1.01 0.00 0.00 37.83 34.07 1mkg s LYS 16 CO 0.33 -0.08 1.74 0.35 0.51 0.00 0.00 175.35 178.20 1mkg h PHE 17 N 3.61 0.80 -0.40 3.18 3.57 -1.99 0.11 116.94 125.81 1mkg h PHE 17 Ca -0.48 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.02 1mkg h PHE 17 Cb 1.22 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 1mkg h PHE 17 CO 0.57 0.11 0.12 1.98 -2.23 0.00 0.00 178.31 178.86 1mkg h MET 18 N 0.58 0.59 0.21 1.11 4.05 -1.99 -0.07 114.93 119.40 1mkg h MET 18 Ca 0.52 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.84 1mkg h MET 18 Cb 0.86 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.56 1mkg h MET 18 CO -0.42 0.53 -0.10 -0.44 0.23 0.00 0.00 176.91 176.70 1mkg h ASP 19 N 0.58 -0.24 -0.44 1.39 3.32 -1.22 -2.00 116.42 117.80 1mkg h ASP 19 Ca 0.14 -0.28 0.09 0.00 0.02 0.00 0.00 57.03 57.00 1mkg h ASP 19 Cb 0.19 0.06 -0.09 0.00 0.22 0.00 0.00 39.33 39.71 1mkg h ASP 19 CO -0.01 0.22 -0.22 0.58 -1.72 0.00 0.00 179.24 178.09 1mkg h VAL 20 N -0.77 0.37 -0.23 -1.35 2.07 -1.08 0.81 116.25 116.07 1mkg h VAL 20 Ca -0.03 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.54 1mkg h VAL 20 Cb 0.51 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1mkg h VAL 20 CO 0.05 0.00 -0.06 0.22 0.02 0.00 0.00 177.57 177.80 1mkg h TYR 21 N -0.13 -0.12 -0.01 1.57 3.20 -1.03 -1.50 116.97 118.95 1mkg h TYR 21 Ca 0.21 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 1mkg h TYR 21 Cb 0.46 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.81 1mkg h TYR 21 CO -0.47 -0.10 -0.01 0.37 -1.64 0.00 0.00 178.16 176.31 1mkg h GLN 22 N 0.00 0.03 -0.47 1.82 4.15 -0.76 -3.26 115.11 116.62 1mkg h GLN 22 Ca 0.11 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 1mkg h GLN 22 Cb 0.16 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 1mkg h GLN 22 CO -0.23 0.49 0.24 0.00 -1.93 0.00 0.00 178.83 177.40 1mkg h ARG 23 N -0.43 0.67 0.00 1.69 3.08 -0.84 -2.52 114.38 116.03 1mkg h ARG 23 Ca 0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1mkg h ARG 23 Cb 0.48 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1mkg h ARG 23 CO 0.00 0.55 0.00 -1.13 -1.07 0.00 0.00 179.97 178.32 1mkg n SER 24 N -4.65 0.00 -4.70 7.04 3.41 -0.57 -4.81 113.62 109.34 1mkg n SER 24 Ca 0.01 -1.06 -0.39 0.00 -0.26 0.00 0.00 58.87 57.17 1mkg n SER 24 Cb 0.10 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 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 -2.00 3.46 0.00 7.33 6.14 -0.95 -1.78 117.35 129.55 1mkg s TYR 25 Ca 0.14 0.90 0.00 0.00 0.64 0.00 0.00 57.07 58.75 1mkg s TYR 25 Cb 0.06 -2.64 0.00 0.00 0.42 0.00 0.00 41.96 39.80 1mkg s TYR 25 CO 0.11 0.04 0.00 0.00 0.64 0.00 0.00 175.55 176.34 1mkg s HIS 27 N 0.00 -0.04 0.01 0.00 -3.43 -0.50 -4.60 115.29 106.72 1mkg s HIS 27 Ca 0.00 -0.30 -0.30 0.00 -0.80 0.00 0.00 55.06 53.66 1mkg s HIS 27 Cb 0.00 0.23 -0.05 0.00 -1.43 0.00 0.00 32.58 31.32 1mkg s HIS 27 CO 0.00 -0.77 1.37 -2.14 -2.00 0.00 0.00 174.74 171.20 1mkg s PRO 28 N -3.86 4.30 -0.01 -0.38 0.02 -1.26 -0.63 135.00 133.18 1mkg s PRO 28 Ca 0.08 1.93 0.03 0.00 0.02 0.00 0.00 61.00 63.06 1mkg s PRO 28 Cb 0.01 -3.53 -0.01 0.00 0.02 0.00 0.00 34.50 31.00 1mkg s PRO 28 CO -0.07 -0.53 -0.10 -1.50 -0.33 0.00 0.00 177.00 174.47 1mkg s ILE 29 N 2.18 0.81 -0.09 2.83 -1.16 0.60 -4.82 121.20 121.56 1mkg s ILE 29 Ca 0.63 -0.47 -0.32 0.00 -0.51 0.00 0.00 60.65 59.98 1mkg s ILE 29 Cb -0.31 -0.69 -0.10 0.00 0.61 0.00 0.00 42.46 41.98 1mkg s ILE 29 CO 0.26 0.21 1.99 1.21 -2.81 0.00 0.00 174.94 175.81 1mkg n GLU 30 N 2.78 2.28 -4.89 3.50 2.13 -1.26 -1.44 120.64 123.74 1mkg n GLU 30 Ca -0.14 0.80 -0.27 0.00 0.66 0.00 0.00 57.16 58.21 1mkg n GLU 30 Cb 0.56 -2.84 -0.16 0.00 0.27 0.00 0.00 31.44 29.27 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 5.11 1.53 -0.42 6.31 2.01 0.18 -4.93 115.64 125.44 1mkg s THR 31 Ca 0.94 -0.76 -0.24 0.00 0.31 0.00 0.00 61.69 61.95 1mkg s THR 31 Cb -0.57 -1.32 0.02 0.00 0.01 0.00 0.00 72.50 70.64 1mkg s THR 31 CO 0.46 0.44 0.82 -0.76 -0.69 0.00 0.00 174.62 174.89 1mkg s LEU 32 N 0.13 4.14 -0.14 4.42 1.43 -1.26 0.71 118.68 128.12 1mkg s LEU 32 Ca -0.07 0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 53.13 1mkg s LEU 32 Cb -0.13 -3.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.01 1mkg s LEU 32 CO 0.03 -0.88 -0.04 -0.69 0.23 0.00 0.00 176.35 175.01 1mkg s VAL 33 N 3.33 3.92 0.01 -1.59 1.01 0.20 -4.91 120.40 122.38 1mkg s VAL 33 Ca 0.32 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 1mkg s VAL 33 Cb -0.12 -2.70 -0.06 0.00 0.00 0.00 0.00 36.38 33.50 1mkg s VAL 33 CO 0.21 0.51 1.40 -0.62 0.00 0.00 0.00 175.10 176.61 1mkg s ASP 34 N 0.15 6.85 0.38 3.32 2.15 -1.26 0.37 116.67 128.63 1mkg s ASP 34 Ca -0.01 2.14 0.14 0.00 0.43 0.00 0.00 52.55 55.24 1mkg s ASP 34 Cb -0.14 -2.56 0.97 0.00 -0.30 0.00 0.00 42.92 40.89 1mkg s ASP 34 CO 0.03 -0.71 1.83 0.40 -0.17 0.00 0.00 175.17 176.54 1mkg h ILE 35 N 4.85 0.68 0.00 4.11 2.04 -1.49 -0.65 117.51 127.05 1mkg h ILE 35 Ca -0.38 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 1mkg h ILE 35 Cb 1.18 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1mkg h ILE 35 CO 0.90 0.10 -0.04 -0.26 0.00 0.00 0.00 178.15 178.85 1mkg h PHE 36 N 0.53 0.00 -0.44 1.37 -1.00 -1.84 0.13 116.94 115.69 1mkg h PHE 36 Ca 0.51 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 61.24 1mkg h PHE 36 Cb 1.10 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.63 1mkg h PHE 36 CO -0.00 0.04 0.04 0.37 -1.61 0.00 0.00 178.31 177.15 1mkg h GLN 37 N 0.00 0.69 0.00 1.51 4.15 -1.49 -1.08 115.11 118.89 1mkg h GLN 37 Ca -0.00 -0.15 -0.17 0.00 0.77 0.00 0.00 58.65 59.10 1mkg h GLN 37 Cb 0.07 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 1mkg h GLN 37 CO 0.00 0.68 -1.32 0.93 -1.93 0.00 0.00 178.83 177.20 1mkg h GLU 38 N 0.66 0.00 -2.15 1.69 4.39 -1.19 -3.39 114.58 114.58 1mkg h GLU 38 Ca 0.14 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.29 1mkg h GLU 38 Cb 0.35 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.59 1mkg h GLU 38 CO 0.01 0.34 -0.88 0.66 -1.16 0.00 0.00 179.01 177.98 1mkg n TYR 39 N -2.95 2.25 0.27 4.33 4.02 0.31 -4.92 117.16 120.47 1mkg n TYR 39 Ca -0.08 -3.91 0.18 0.00 -0.01 0.00 0.00 57.90 54.07 1mkg n TYR 39 Cb 0.84 -0.46 0.93 0.00 -0.02 0.00 0.00 39.34 40.64 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 3.16 0.00 0.00 -0.72 0.13 -1.41 0.39 132.00 133.55 1mkg h PRO 40 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1mkg h PRO 40 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1mkg h PRO 40 CO 0.68 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.20 1mkg n ASP 41 N -3.59 0.43 -1.75 1.44 8.00 -1.26 -3.39 116.55 116.42 1mkg n ASP 41 Ca -0.01 0.59 -0.16 0.00 0.71 0.00 0.00 54.79 55.91 1mkg n ASP 41 Cb 0.21 -0.68 0.17 0.00 -0.02 0.00 0.00 41.12 40.80 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 -1.95 2.15 0.28 -1.24 1.02 0.13 -4.69 120.64 116.35 1mkg n GLU 42 Ca 0.04 -3.17 0.14 0.00 -0.02 0.00 0.00 57.16 54.14 1mkg n GLU 42 Cb 0.26 -2.03 0.84 0.00 -0.02 0.00 0.00 31.44 30.49 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 1.05 0.57 0.00 -3.67 3.07 -1.72 -2.00 117.51 114.82 1mkg h ILE 43 Ca 0.44 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.67 1mkg h ILE 43 Cb 2.09 1.11 0.00 0.00 -0.27 0.00 0.00 36.82 39.75 1mkg h ILE 43 CO 0.81 0.04 0.00 -0.62 -1.05 0.00 0.00 178.15 177.33 1mkg n GLU 44 N -3.82 0.15 -2.71 0.16 1.02 -1.26 -4.81 120.64 109.37 1mkg n GLU 44 Ca -0.03 0.04 -0.24 0.00 -0.02 0.00 0.00 57.16 56.92 1mkg n GLU 44 Cb 0.13 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.08 1mkg n GLU 44 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1mkg s TYR 45 N -2.83 3.13 -0.12 -0.32 1.51 -0.75 -4.61 117.35 113.35 1mkg s TYR 45 Ca 0.18 0.29 0.02 0.00 -1.01 0.00 0.00 57.07 56.55 1mkg s TYR 45 Cb 0.18 -2.57 0.01 0.00 -0.11 0.00 0.00 41.96 39.47 1mkg s TYR 45 CO 0.46 -0.66 -0.18 0.42 -1.11 0.00 0.00 175.55 174.48 1mkg s ILE 46 N -2.75 1.72 -0.08 2.71 1.01 0.26 -4.97 121.20 119.09 1mkg s ILE 46 Ca 0.52 -0.77 -0.03 0.00 0.00 0.00 0.00 60.65 60.38 1mkg s ILE 46 Cb -0.10 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 1mkg s ILE 46 CO 0.40 0.48 0.05 -0.36 0.00 0.00 0.00 174.94 175.51 1mkg s PHE 47 N 0.95 3.29 -0.21 3.97 0.40 -1.26 -0.84 117.98 124.27 1mkg s PHE 47 Ca -0.06 0.28 -0.01 0.00 -0.60 0.00 0.00 56.93 56.54 1mkg s PHE 47 Cb -0.15 -1.81 0.06 0.00 0.51 0.00 0.00 43.02 41.62 1mkg s PHE 47 CO -0.02 0.55 -0.02 0.21 0.70 0.00 0.00 175.22 176.63 1mkg s LYS 48 N -1.07 1.26 0.78 0.44 2.47 -0.27 -2.63 119.74 120.72 1mkg s LYS 48 Ca 0.15 -0.73 -0.12 0.00 -1.56 0.00 0.00 55.97 53.72 1mkg s LYS 48 Cb -0.12 -2.35 0.06 0.00 -1.46 0.00 0.00 37.83 33.97 1mkg s LYS 48 CO 0.05 -0.59 1.10 -1.25 0.16 0.00 0.00 175.35 174.82 1mkg s PRO 49 N 1.59 2.24 0.00 4.03 0.04 -1.26 -1.36 135.00 140.27 1mkg s PRO 49 Ca -0.03 0.53 0.21 0.00 0.04 0.00 0.00 61.00 61.75 1mkg s PRO 49 Cb -0.18 -1.94 0.80 0.00 0.04 0.00 0.00 34.50 33.21 1mkg s PRO 49 CO -0.07 -1.49 1.57 -1.13 0.04 0.00 0.00 177.00 175.93 1mkg n SER 50 N -3.33 1.57 -3.85 6.66 3.41 -1.08 -4.84 113.62 112.16 1mkg n SER 50 Ca 0.07 -1.67 -0.12 0.00 -0.26 0.00 0.00 58.87 56.89 1mkg n SER 50 Cb 0.57 -0.09 -0.10 0.00 -0.26 0.00 0.00 64.21 64.33 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 -1.00 1.91 -0.44 0.00 -7.23 0.16 -4.89 120.40 108.92 1mkg s VAL 52 Ca -0.11 -1.19 -0.29 0.00 -1.81 0.00 0.00 61.98 58.58 1mkg s VAL 52 Cb -0.06 -1.62 0.02 0.00 0.56 0.00 0.00 36.38 35.28 1mkg s VAL 52 CO 0.01 0.39 1.17 -2.16 -0.31 0.00 0.00 175.10 174.21 1mkg s PRO 53 N -0.95 3.76 0.02 4.82 0.04 -1.26 -0.63 135.00 140.80 1mkg s PRO 53 Ca 0.10 0.71 0.07 0.00 0.04 0.00 0.00 61.00 61.92 1mkg s PRO 53 Cb -0.09 -3.90 -0.02 0.00 0.04 0.00 0.00 34.50 30.52 1mkg s PRO 53 CO 0.01 -1.33 -0.21 -0.51 0.04 0.00 0.00 177.00 174.99 1mkg s LEU 54 N 4.48 2.13 -0.27 -3.56 1.43 0.22 -4.89 118.68 118.22 1mkg s LEU 54 Ca 0.50 -0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 52.83 1mkg s LEU 54 Cb -0.09 -1.02 -0.00 0.00 0.03 0.00 0.00 46.19 45.11 1mkg s LEU 54 CO 0.29 0.20 1.27 -0.04 0.23 0.00 0.00 176.35 178.30 1mkg s MET 55 N -0.96 4.00 0.06 1.70 -1.94 -1.26 0.51 119.30 121.41 1mkg s MET 55 Ca 0.08 1.33 0.04 0.00 -1.71 0.00 0.00 55.69 55.43 1mkg s MET 55 Cb -0.09 -3.84 -0.03 0.00 2.01 0.00 0.00 34.83 32.89 1mkg s MET 55 CO 0.01 -1.00 -0.12 1.03 -0.01 0.00 0.00 175.02 174.93 1mkg s ARG 56 N 3.96 0.72 0.10 2.03 1.81 -0.52 -1.16 118.95 125.89 1mkg s ARG 56 Ca 0.55 -0.90 -0.32 0.00 -1.72 0.00 0.00 55.73 53.34 1mkg s ARG 56 Cb -0.17 -0.62 -0.12 0.00 -0.45 0.00 0.00 34.95 33.59 1mkg s ARG 56 CO 0.20 0.13 1.78 0.00 -0.68 0.00 0.00 175.30 176.73 1mkg n ALA 57 N 1.31 1.79 -4.05 2.13 0.00 -1.26 -0.29 120.51 120.13 1mkg n ALA 57 Ca -0.21 0.35 -0.17 0.00 0.00 0.00 0.00 53.44 53.40 1mkg n ALA 57 Cb 0.54 -2.51 -0.05 0.00 0.00 0.00 0.00 19.45 17.43 1mkg n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mkg n GLY 58 N 4.05 2.59 0.00 0.00 0.00 0.20 -4.87 105.19 107.15 1mkg n GLY 58 Ca 0.18 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1mkg n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mkg n GLY 59 N -0.56 -0.28 3.63 -0.02 0.00 -1.26 -1.41 105.19 105.28 1mkg n GLY 59 Ca 0.04 -1.83 -0.25 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.49 2.80 -0.04 0.00 3.02 -1.26 -4.61 115.26 114.68 1mkg n ASN 62 Ca -0.08 -3.28 0.00 0.00 -0.03 0.00 0.00 54.58 51.18 1mkg n ASN 62 Cb 0.57 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1mkg n ASN 62 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1mkg n ASP 63 N 0.66 0.00 0.00 6.41 -0.08 -1.26 -5.08 116.55 117.20 1mkg n ASP 63 Ca 0.28 -1.01 0.00 0.00 -1.51 0.00 0.00 54.79 52.55 1mkg n ASP 63 Cb 0.46 -0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 1mkg n ASP 63 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1mkg n GLU 64 N 0.00 0.00 0.00 -0.67 -0.58 -1.26 -3.61 120.64 114.52 1mkg n GLU 64 Ca 0.00 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.80 1mkg n GLU 64 Cb 0.50 0.00 0.32 0.00 -0.57 0.00 0.00 31.44 31.69 1mkg n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mkg n GLY 65 N 0.00 -0.73 3.98 0.62 0.00 -1.26 -4.74 105.19 103.06 1mkg n GLY 65 Ca 0.00 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.60 3.50 -0.27 0.99 1.43 -1.24 -1.23 118.68 119.26 1mkg s LEU 66 Ca 0.12 -0.57 -0.23 0.00 -1.03 0.00 0.00 54.13 52.41 1mkg s LEU 66 Cb 0.09 -2.36 0.08 0.00 0.03 0.00 0.00 46.19 44.03 1mkg s LEU 66 CO 0.20 -0.81 0.77 -1.83 0.23 0.00 0.00 176.35 174.91 1mkg s GLU 67 N -4.33 0.76 -0.05 1.70 -1.05 0.86 -4.77 118.70 111.82 1mkg s GLU 67 Ca 0.54 0.97 -0.30 0.00 -0.15 0.00 0.00 54.97 56.03 1mkg s GLU 67 Cb -0.08 0.34 -0.05 0.00 -0.44 0.00 0.00 34.13 33.90 1mkg s GLU 67 CO 0.32 -0.10 1.60 0.00 0.95 0.00 0.00 175.26 178.03 1mkg s VAL 69 N 3.75 0.06 0.44 0.00 1.01 -0.97 -4.93 120.40 119.76 1mkg s VAL 69 Ca 0.71 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.94 1mkg s VAL 69 Cb -0.33 -0.20 -0.08 0.00 0.00 0.00 0.00 36.38 35.77 1mkg s VAL 69 CO 0.28 -0.28 1.27 -2.16 0.00 0.00 0.00 175.10 174.21 1mkg s PRO 70 N -0.84 3.77 0.00 2.72 0.04 -1.26 -2.25 135.00 137.18 1mkg s PRO 70 Ca -0.09 2.04 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1mkg s PRO 70 Cb -0.06 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.91 1mkg s PRO 70 CO -0.00 -0.62 0.28 0.25 0.04 0.00 0.00 177.00 176.94 1mkg n THR 71 N -0.24 0.00 -3.27 1.26 -2.24 0.46 -4.91 114.28 105.34 1mkg n THR 71 Ca 0.06 -0.36 -0.04 0.00 -2.27 0.00 0.00 64.05 61.43 1mkg n THR 71 Cb 0.45 1.21 -0.05 0.00 -2.10 0.00 0.00 70.33 69.85 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 -0.17 0.44 0.27 -0.78 2.12 -1.20 -4.94 118.70 114.45 1mkg s GLU 72 Ca 0.00 0.54 0.08 0.00 0.36 0.00 0.00 54.97 55.95 1mkg s GLU 72 Cb 0.00 -0.10 -0.04 0.00 0.26 0.00 0.00 34.13 34.25 1mkg s GLU 72 CO 0.00 -0.79 0.15 -1.21 -0.54 0.00 0.00 175.26 172.86 1mkg s GLU 73 N 2.65 2.70 0.05 4.30 2.02 -1.26 0.24 118.70 129.40 1mkg s GLU 73 Ca 0.14 -1.21 -0.28 0.00 0.02 0.00 0.00 54.97 53.64 1mkg s GLU 73 Cb -0.14 -2.42 0.09 0.00 0.10 0.00 0.00 34.13 31.76 1mkg s GLU 73 CO -0.22 0.34 0.92 -1.54 0.02 0.00 0.00 175.26 174.78 1mkg s SER 74 N -3.81 -0.30 0.17 -0.19 1.04 -1.01 -4.88 113.70 104.72 1mkg s SER 74 Ca 0.33 -0.13 0.05 0.00 0.48 0.00 0.00 55.95 56.68 1mkg s SER 74 Cb -0.07 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 1mkg s SER 74 CO 0.24 -0.71 0.18 0.20 0.98 0.00 0.00 173.24 174.13 1mkg s ASN 75 N -2.64 5.75 0.05 7.02 -0.87 -1.26 -0.87 114.94 122.12 1mkg s ASN 75 Ca 0.07 -0.06 0.05 0.00 -1.57 0.00 0.00 52.86 51.36 1mkg s ASN 75 Cb -0.01 -1.57 -0.02 0.00 -0.02 0.00 0.00 41.25 39.63 1mkg s ASN 75 CO -0.05 0.05 -0.14 -0.51 -2.57 0.00 0.00 177.10 173.88 1mkg s ILE 76 N -1.78 1.12 -0.12 0.60 2.07 -0.38 -4.92 121.20 117.78 1mkg s ILE 76 Ca 0.32 -1.08 -0.00 0.00 -1.41 0.00 0.00 60.65 58.48 1mkg s ILE 76 Cb -0.10 -1.03 -0.02 0.00 0.13 0.00 0.00 42.46 41.44 1mkg s ILE 76 CO 0.25 -0.05 -0.11 -0.89 -1.91 0.00 0.00 174.94 172.22 1mkg s THR 77 N -0.96 3.22 0.08 4.00 2.01 -1.26 -0.72 115.64 122.03 1mkg s THR 77 Ca 0.01 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.45 1mkg s THR 77 Cb -0.08 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 1mkg s THR 77 CO 0.02 0.53 -0.14 -0.04 -0.69 0.00 0.00 174.62 174.29 1mkg s MET 78 N 0.18 0.87 -0.29 4.92 1.00 -0.41 -4.92 119.30 120.65 1mkg s MET 78 Ca -0.06 -1.03 -0.23 0.00 0.00 0.00 0.00 55.69 54.37 1mkg s MET 78 Cb -0.15 -0.84 -0.00 0.00 0.00 0.00 0.00 34.83 33.84 1mkg s MET 78 CO 0.05 0.18 0.74 -0.65 0.00 0.00 0.00 175.02 175.34 1mkg s GLN 79 N -1.99 4.00 -0.00 2.03 -0.21 -1.26 -0.91 119.66 121.32 1mkg s GLN 79 Ca 0.01 0.57 0.06 0.00 0.02 0.00 0.00 55.36 56.01 1mkg s GLN 79 Cb -0.09 -3.71 -0.02 0.00 1.00 0.00 0.00 33.01 30.20 1mkg s GLN 79 CO 0.02 -0.60 -0.18 0.42 -2.12 0.00 0.00 175.29 172.83 1mkg s ILE 80 N 2.82 1.39 -0.12 1.08 1.01 0.19 -4.93 121.20 122.64 1mkg s ILE 80 Ca 0.30 -0.83 -0.25 0.00 0.00 0.00 0.00 60.65 59.87 1mkg s ILE 80 Cb -0.15 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 1mkg s ILE 80 CO 0.11 0.33 0.82 -0.32 0.00 0.00 0.00 174.94 175.88 1mkg s MET 81 N -0.58 4.37 -0.09 2.79 -2.45 -0.46 -1.47 119.30 121.41 1mkg s MET 81 Ca 0.06 1.04 0.04 0.00 -1.25 0.00 0.00 55.69 55.58 1mkg s MET 81 Cb -0.07 -3.52 -0.01 0.00 1.25 0.00 0.00 34.83 32.48 1mkg s MET 81 CO -0.00 -0.19 -0.23 0.50 1.05 0.00 0.00 175.02 176.16 1mkg s ARG 82 N 1.64 2.91 -0.06 4.11 3.52 0.07 -1.12 118.95 130.02 1mkg s ARG 82 Ca 0.40 -0.86 0.03 0.00 -0.13 0.00 0.00 55.73 55.18 1mkg s ARG 82 Cb -0.17 -2.30 0.00 0.00 -1.56 0.00 0.00 34.95 30.92 1mkg s ARG 82 CO 0.16 0.27 -0.16 0.42 -0.81 0.00 0.00 175.30 175.17 1mkg s ILE 83 N 0.13 1.43 -0.26 4.11 1.01 -0.02 -1.60 121.20 126.00 1mkg s ILE 83 Ca -0.12 -0.68 -0.04 0.00 0.00 0.00 0.00 60.65 59.81 1mkg s ILE 83 Cb -0.16 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.07 1mkg s ILE 83 CO 0.06 0.42 -0.00 -0.75 0.00 0.00 0.00 174.94 174.67 1mkg s LYS 84 N 0.33 3.06 -0.02 2.79 2.47 0.40 -0.58 119.74 128.19 1mkg s LYS 84 Ca -0.11 -0.85 -0.37 0.00 -1.56 0.00 0.00 55.97 53.08 1mkg s LYS 84 Cb -0.14 -3.14 -0.16 0.00 -1.46 0.00 0.00 37.83 32.93 1mkg s LYS 84 CO 0.04 -0.37 1.52 -2.30 0.16 0.00 0.00 175.35 174.40 1mkg n PRO 85 N 4.77 1.32 -0.90 4.03 -0.02 -1.26 -1.39 135.00 141.55 1mkg n PRO 85 Ca -0.16 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1mkg n PRO 85 Cb 0.48 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 3.72 0.00 0.00 6.00 8.25 -1.26 -4.76 115.22 127.17 1mkg n HIS 86 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 1mkg n HIS 86 Cb 0.19 -1.42 0.00 0.00 1.12 0.00 0.00 29.99 29.88 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 -0.49 2.18 0.00 -0.41 6.02 -0.48 -5.15 117.38 119.05 1mkg n GLN 87 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1mkg n GLN 87 Cb 0.28 -0.75 0.00 0.00 1.02 0.00 0.00 30.24 30.79 1mkg n GLN 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mkg n GLY 88 N 1.68 1.13 3.37 1.08 0.00 -0.88 -4.98 105.19 106.60 1mkg n GLY 88 Ca 0.00 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.00 0.76 -0.08 1.61 0.74 -1.26 -0.45 119.66 118.97 1mkg s GLN 89 Ca 0.00 0.21 -0.30 0.00 0.05 0.00 0.00 55.36 55.32 1mkg s GLN 89 Cb 0.00 0.35 0.10 0.00 1.10 0.00 0.00 33.01 34.56 1mkg s GLN 89 CO 0.00 -0.19 0.85 -3.38 -0.55 0.00 0.00 175.29 172.02 1mkg s HIS 90 N -0.81 -0.48 -0.27 1.67 -3.43 -0.63 -5.00 115.29 106.34 1mkg s HIS 90 Ca -0.09 0.74 -0.08 0.00 -0.80 0.00 0.00 55.06 54.83 1mkg s HIS 90 Cb -0.03 0.45 -0.02 0.00 -1.43 0.00 0.00 32.58 31.55 1mkg s HIS 90 CO 0.05 -0.49 0.10 0.42 -2.00 0.00 0.00 174.74 172.81 1mkg s ILE 91 N -1.54 4.36 0.34 -5.38 1.01 -1.26 -0.75 121.20 117.98 1mkg s ILE 91 Ca -0.04 -0.30 0.07 0.00 0.00 0.00 0.00 60.65 60.38 1mkg s ILE 91 Cb -0.00 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 1mkg s ILE 91 CO 0.02 0.23 0.27 -0.83 0.00 0.00 0.00 174.94 174.64 1mkg s GLY 92 N 1.60 2.40 0.11 6.18 0.00 -0.54 -4.91 107.32 112.16 1mkg s GLY 92 Ca 0.05 -2.01 -0.20 0.00 0.00 0.00 0.00 44.72 42.57 1mkg s GLY 92 CO 0.04 -1.51 0.61 -0.54 0.00 0.00 0.00 173.10 171.71 1mkg s GLU 93 N -3.44 4.23 0.02 2.90 2.02 -1.26 -0.64 118.70 122.53 1mkg s GLU 93 Ca 0.39 0.78 0.04 0.00 0.02 0.00 0.00 54.97 56.20 1mkg s GLU 93 Cb 0.02 -3.16 -0.02 0.00 0.10 0.00 0.00 34.13 31.07 1mkg s GLU 93 CO 0.27 0.58 -0.12 -1.64 0.02 0.00 0.00 175.26 174.38 1mkg s MET 94 N -1.32 0.82 -0.13 1.61 -1.94 -0.09 -4.94 119.30 113.31 1mkg s MET 94 Ca 0.33 -0.60 -0.12 0.00 -1.71 0.00 0.00 55.69 53.59 1mkg s MET 94 Cb -0.19 -0.78 -0.05 0.00 2.01 0.00 0.00 34.83 35.82 1mkg s MET 94 CO 0.20 0.20 0.25 -1.12 -0.01 0.00 0.00 175.02 174.55 1mkg s SER 95 N -0.85 6.46 0.11 3.03 0.01 -1.26 -1.28 113.70 119.92 1mkg s SER 95 Ca 0.01 0.54 0.07 0.00 1.31 0.00 0.00 55.95 57.88 1mkg s SER 95 Cb -0.07 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 1mkg s SER 95 CO 0.01 0.23 -0.17 -0.36 0.41 0.00 0.00 173.24 173.35 1mkg s PHE 96 N -0.20 1.58 -0.09 2.43 0.08 0.11 -4.93 117.98 116.96 1mkg s PHE 96 Ca 0.16 -0.47 -0.26 0.00 0.12 0.00 0.00 56.93 56.48 1mkg s PHE 96 Cb -0.13 -0.85 -0.02 0.00 -0.57 0.00 0.00 43.02 41.45 1mkg s PHE 96 CO 0.05 0.18 0.84 -1.17 -0.10 0.00 0.00 175.22 175.02 1mkg s LEU 97 N -2.14 4.27 0.23 -0.37 2.96 -1.26 -1.25 118.68 121.12 1mkg s LEU 97 Ca 0.07 1.32 0.11 0.00 -0.22 0.00 0.00 54.13 55.42 1mkg s LEU 97 Cb -0.08 -3.30 -0.05 0.00 0.50 0.00 0.00 46.19 43.27 1mkg s LEU 97 CO 0.04 -0.29 -0.22 -1.10 -1.32 0.00 0.00 176.35 173.46 1mkg s GLN 98 N 1.47 1.57 -0.35 1.98 -0.21 -0.05 -4.82 119.66 119.25 1mkg s GLN 98 Ca 0.42 -1.63 -0.05 0.00 0.02 0.00 0.00 55.36 54.12 1mkg s GLN 98 Cb -0.18 -1.77 0.06 0.00 1.00 0.00 0.00 33.01 32.12 1mkg s GLN 98 CO 0.18 0.36 0.12 -1.01 -2.12 0.00 0.00 175.29 172.82 1mkg s HIS 99 N -2.08 3.32 -0.33 0.91 3.76 -0.31 -2.41 115.29 118.15 1mkg s HIS 99 Ca 0.24 -1.66 0.20 0.00 -0.15 0.00 0.00 55.06 53.69 1mkg s HIS 99 Cb -0.06 -2.49 0.23 0.00 1.11 0.00 0.00 32.58 31.37 1mkg s HIS 99 CO 0.12 -0.80 1.52 -0.91 -0.85 0.00 0.00 174.74 173.82 1mkg h ASN 100 N 8.18 0.00 -3.66 1.40 4.21 -0.51 -3.42 115.58 121.78 1mkg h ASN 100 Ca -0.21 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.12 1mkg h ASN 100 Cb 1.07 0.00 -0.27 0.00 -1.12 0.00 0.00 38.32 38.00 1mkg h ASN 100 CO 0.63 0.17 -0.46 -0.75 -1.29 0.00 0.00 177.43 175.74 1mkg s LYS 101 N -3.13 0.25 0.03 0.81 2.20 -1.12 -4.93 119.74 113.85 1mkg s LYS 101 Ca 0.06 0.40 0.03 0.00 -0.36 0.00 0.00 55.97 56.09 1mkg s LYS 101 Cb 0.06 0.05 -0.02 0.00 -1.51 0.00 0.00 37.83 36.41 1mkg s LYS 101 CO 0.70 -0.08 -0.09 0.00 -0.36 0.00 0.00 175.35 175.53 1mkg s ALA 102 N 0.51 0.71 0.02 3.13 0.00 -1.26 -0.40 121.76 124.46 1mkg s ALA 102 Ca -0.03 -0.62 -0.28 0.00 0.00 0.00 0.00 51.96 51.03 1mkg s ALA 102 Cb -0.05 -0.07 0.08 0.00 0.00 0.00 0.00 23.12 23.08 1mkg s ALA 102 CO -0.03 0.09 0.69 -1.83 0.00 0.00 0.00 175.76 174.68 1mkg s GLU 103 N -1.01 1.09 0.19 0.00 -1.05 -0.95 -4.69 118.70 112.27 1mkg s GLU 103 Ca -0.03 -0.06 -0.30 0.00 -0.15 0.00 0.00 54.97 54.43 1mkg s GLU 103 Cb -0.07 0.51 -0.08 0.00 -0.44 0.00 0.00 34.13 34.05 1mkg s GLU 103 CO 0.00 -0.41 1.22 0.00 0.95 0.00 0.00 175.26 177.03 1mkg s ARG 105 N -0.23 0.87 0.25 0.00 0.52 -0.64 -4.84 118.95 114.88 1mkg s ARG 105 Ca 0.54 -0.87 -0.31 0.00 -0.52 0.00 0.00 55.73 54.57 1mkg s ARG 105 Cb -0.33 0.36 -0.13 0.00 0.52 0.00 0.00 34.95 35.37 1mkg s ARG 105 CO 0.37 -0.29 1.44 -0.35 0.02 0.00 0.00 175.30 176.49 1mkg n PRO 106 N 0.00 2.16 0.00 3.54 -0.04 -1.26 -0.10 135.00 139.30 1mkg n PRO 106 Ca -0.16 0.77 0.03 0.00 -0.04 0.00 0.00 63.50 64.10 1mkg n PRO 106 Cb 0.62 -2.45 0.19 0.00 -0.04 0.00 0.00 33.50 31.82 1mkg n PRO 106 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09