#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mkk s VAL 15 N 0.00 3.64 0.50 2.52 1.01 -1.26 -5.01 120.40 121.80 1mkk s VAL 15 Ca 0.00 1.08 -0.21 0.00 0.00 0.00 0.00 61.98 62.84 1mkk s VAL 15 Cb 0.00 -3.69 -0.07 0.00 0.00 0.00 0.00 36.38 32.62 1mkk s VAL 15 CO 0.00 0.02 1.16 -0.54 0.00 0.00 0.00 175.10 175.74 1mkk s LYS 16 N 2.05 3.55 0.19 2.72 1.02 -1.26 -4.80 119.74 123.21 1mkk s LYS 16 Ca 0.64 1.73 -0.12 0.00 0.02 0.00 0.00 55.97 58.24 1mkk s LYS 16 Cb -0.32 -2.23 0.22 0.00 -0.52 0.00 0.00 37.83 34.98 1mkk s LYS 16 CO 0.28 -0.72 1.70 0.35 -0.92 0.00 0.00 175.35 176.04 1mkk h PHE 17 N 1.65 0.10 -0.16 3.18 3.57 -1.99 -0.19 116.94 123.11 1mkk h PHE 17 Ca -0.50 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 60.98 1mkk h PHE 17 Cb 1.26 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 1mkk h PHE 17 CO 0.52 -0.05 -0.17 0.52 -2.23 0.00 0.00 178.31 176.90 1mkk h MET 18 N 0.20 0.27 0.02 1.11 2.86 -1.99 0.21 114.93 117.61 1mkk h MET 18 Ca 0.27 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1mkk h MET 18 Cb 0.40 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1mkk h MET 18 CO -0.38 0.44 -0.01 0.22 1.06 0.00 0.00 176.91 178.24 1mkk h ASP 19 N 0.25 -0.03 -0.20 1.22 3.58 -1.55 -1.74 116.42 117.96 1mkk h ASP 19 Ca 0.05 -0.26 0.05 0.00 0.42 0.00 0.00 57.03 57.30 1mkk h ASP 19 Cb 0.45 0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.45 1mkk h ASP 19 CO 0.03 0.24 -0.19 0.58 -2.88 0.00 0.00 179.24 177.02 1mkk h VAL 20 N -0.30 0.50 -0.60 2.25 2.07 -0.58 0.33 116.25 119.92 1mkk h VAL 20 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1mkk h VAL 20 Cb 0.28 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1mkk h VAL 20 CO 0.00 0.00 0.31 0.22 0.02 0.00 0.00 177.57 178.13 1mkk h TYR 21 N -0.21 0.85 -0.49 1.57 3.20 -0.93 -1.74 116.97 119.22 1mkk h TYR 21 Ca 0.12 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 1mkk h TYR 21 Cb 0.39 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1mkk h TYR 21 CO -0.33 0.63 -0.12 0.37 -1.64 0.00 0.00 178.16 177.07 1mkk h GLN 22 N 0.82 0.90 -0.03 1.82 -0.00 -0.98 -2.91 115.11 114.74 1mkk h GLN 22 Ca 0.21 -0.32 -0.05 0.00 -0.00 0.00 0.00 58.65 58.49 1mkk h GLN 22 Cb 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.49 1mkk h GLN 22 CO -0.03 0.97 -0.21 0.00 0.00 0.00 0.00 178.83 179.56 1mkk h ARG 23 N 0.81 0.04 0.00 1.69 3.08 -0.39 -2.47 114.38 117.14 1mkk h ARG 23 Ca 0.13 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1mkk h ARG 23 Cb 0.65 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1mkk h ARG 23 CO 0.05 0.25 -0.11 0.43 -1.07 0.00 0.00 179.97 179.51 1mkk n SER 24 N -4.27 0.43 -4.76 7.04 7.64 -0.70 -4.88 113.62 114.11 1mkk n SER 24 Ca -0.02 0.42 -0.41 0.00 1.01 0.00 0.00 58.87 59.86 1mkk n SER 24 Cb 0.28 -0.47 -0.01 0.00 -1.01 0.00 0.00 64.21 63.00 1mkk n SER 24 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1mkk s TYR 25 N -3.06 2.85 -0.19 1.43 5.04 -0.93 -4.37 117.35 118.12 1mkk s TYR 25 Ca 0.12 1.15 -0.18 0.00 -2.44 0.00 0.00 57.07 55.72 1mkk s TYR 25 Cb 0.16 -3.88 -0.07 0.00 0.35 0.00 0.00 41.96 38.51 1mkk s TYR 25 CO 0.59 -2.67 0.63 0.00 -1.34 0.00 0.00 175.55 172.76 1mkk s HIS 27 N 1.28 -0.36 0.18 0.00 -3.43 -0.93 -4.66 115.29 107.36 1mkk s HIS 27 Ca 0.40 0.04 -0.30 0.00 -0.80 0.00 0.00 55.06 54.40 1mkk s HIS 27 Cb -0.56 0.63 -0.09 0.00 -1.43 0.00 0.00 32.58 31.13 1mkk s HIS 27 CO 0.30 -1.01 1.32 -2.14 -2.00 0.00 0.00 174.74 171.21 1mkk s PRO 28 N -3.78 4.38 -0.00 -0.38 0.02 -1.26 -1.35 135.00 132.62 1mkk s PRO 28 Ca 0.06 2.05 0.04 0.00 0.02 0.00 0.00 61.00 63.17 1mkk s PRO 28 Cb -0.03 -3.21 -0.01 0.00 0.02 0.00 0.00 34.50 31.27 1mkk s PRO 28 CO -0.03 -0.28 -0.11 0.42 -0.33 0.00 0.00 177.00 176.66 1mkk s ILE 29 N 0.29 0.90 0.14 2.83 1.01 -0.00 -4.82 121.20 121.55 1mkk s ILE 29 Ca 0.58 -0.57 -0.32 0.00 0.00 0.00 0.00 60.65 60.34 1mkk s ILE 29 Cb -0.36 -0.77 -0.11 0.00 0.01 0.00 0.00 42.46 41.22 1mkk s ILE 29 CO 0.37 0.20 1.80 1.21 0.00 0.00 0.00 174.94 178.51 1mkk n GLU 30 N 2.64 2.72 -3.87 2.79 2.13 -1.26 -1.35 120.64 124.44 1mkk n GLU 30 Ca -0.15 0.99 -0.19 0.00 0.66 0.00 0.00 57.16 58.48 1mkk n GLU 30 Cb 0.56 -2.86 -0.17 0.00 0.27 0.00 0.00 31.44 29.24 1mkk n GLU 30 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1mkk s THR 31 N 2.28 0.18 -0.09 6.31 2.01 0.22 -4.93 115.64 121.62 1mkk s THR 31 Ca 0.81 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 62.64 1mkk s THR 31 Cb -0.51 -0.31 -0.02 0.00 0.01 0.00 0.00 72.50 71.67 1mkk s THR 31 CO 0.37 0.17 1.11 -0.76 -0.69 0.00 0.00 174.62 174.82 1mkk s LEU 32 N 1.34 4.25 -0.13 4.42 1.43 -1.26 -0.85 118.68 127.88 1mkk s LEU 32 Ca -0.05 1.66 0.02 0.00 -1.03 0.00 0.00 54.13 54.73 1mkk s LEU 32 Cb -0.13 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.55 1mkk s LEU 32 CO -0.02 -0.54 -0.20 -0.69 0.23 0.00 0.00 176.35 175.13 1mkk s VAL 33 N 2.25 1.89 0.24 -1.59 1.01 -0.14 -4.93 120.40 119.13 1mkk s VAL 33 Ca 0.52 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 1mkk s VAL 33 Cb -0.21 -1.68 -0.10 0.00 0.00 0.00 0.00 36.38 34.39 1mkk s VAL 33 CO 0.19 0.52 1.41 -1.81 0.00 0.00 0.00 175.10 175.40 1mkk s ASP 34 N 0.88 6.71 0.40 3.32 1.01 -1.26 -0.97 116.67 126.75 1mkk s ASP 34 Ca -0.07 2.61 0.07 0.00 0.71 0.00 0.00 52.55 55.88 1mkk s ASP 34 Cb -0.15 -2.62 0.83 0.00 1.01 0.00 0.00 42.92 41.99 1mkk s ASP 34 CO -0.02 -0.66 2.02 0.40 0.21 0.00 0.00 175.17 177.12 1mkk h ILE 35 N 3.55 1.06 0.00 0.77 2.04 -1.43 0.54 117.51 124.05 1mkk h ILE 35 Ca -0.46 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 1mkk h ILE 35 Cb 1.22 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1mkk h ILE 35 CO 0.77 0.11 -0.12 -0.26 0.00 0.00 0.00 178.15 178.65 1mkk h PHE 36 N 0.62 0.00 -0.03 1.37 0.04 -1.81 0.11 116.94 117.24 1mkk h PHE 36 Ca 0.22 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.75 1mkk h PHE 36 Cb 0.10 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.26 1mkk h PHE 36 CO -0.00 0.12 -0.95 0.37 -0.60 0.00 0.00 178.31 177.25 1mkk h GLN 37 N 0.00 0.58 0.08 1.51 4.15 -1.27 -2.47 115.11 117.69 1mkk h GLN 37 Ca -0.00 -0.59 -0.25 0.00 0.77 0.00 0.00 58.65 58.58 1mkk h GLN 37 Cb 0.35 0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1mkk h GLN 37 CO 0.02 1.21 -1.12 0.93 -1.93 0.00 0.00 178.83 177.94 1mkk h GLU 38 N 0.34 0.28 -2.12 1.69 4.39 -1.12 -3.37 114.58 114.67 1mkk h GLU 38 Ca -0.09 -0.40 -0.59 0.00 0.34 0.00 0.00 59.36 58.62 1mkk h GLU 38 Cb 1.58 0.14 -0.41 0.00 -0.10 0.00 0.00 28.75 29.96 1mkk h GLU 38 CO 0.18 1.15 -0.78 0.66 -1.16 0.00 0.00 179.01 179.06 1mkk n TYR 39 N -3.59 2.20 0.29 4.33 4.02 0.32 -4.94 117.16 119.80 1mkk n TYR 39 Ca -0.07 -3.94 0.17 0.00 -0.01 0.00 0.00 57.90 54.05 1mkk n TYR 39 Cb 0.95 -0.48 0.85 0.00 -0.02 0.00 0.00 39.34 40.63 1mkk n TYR 39 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1mkk h PRO 40 N 4.10 0.00 0.00 -0.72 0.13 -1.62 -1.22 132.00 132.67 1mkk h PRO 40 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1mkk h PRO 40 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1mkk h PRO 40 CO 0.70 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.22 1mkk n ASP 41 N -2.77 0.00 -0.38 1.44 8.00 -1.26 -2.95 116.55 118.64 1mkk n ASP 41 Ca -0.01 -0.70 0.08 0.00 0.71 0.00 0.00 54.79 54.87 1mkk n ASP 41 Cb 0.14 -0.03 0.18 0.00 -0.02 0.00 0.00 41.12 41.39 1mkk n ASP 41 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1mkk n GLU 42 N -1.03 1.65 0.23 -1.24 1.02 -0.46 -4.70 120.64 116.11 1mkk n GLU 42 Ca 0.18 -2.80 0.16 0.00 -0.02 0.00 0.00 57.16 54.68 1mkk n GLU 42 Cb 0.09 -1.60 0.79 0.00 -0.02 0.00 0.00 31.44 30.70 1mkk n GLU 42 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1mkk h ILE 43 N 0.55 0.00 0.00 -3.67 2.10 -1.68 -1.13 117.51 113.68 1mkk h ILE 43 Ca 0.02 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.83 1mkk h ILE 43 Cb 1.12 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 37.74 1mkk h ILE 43 CO 0.06 0.00 0.00 -0.08 -1.08 0.00 0.00 178.15 177.05 1mkk h GLU 44 N 0.00 0.00 -6.30 2.19 4.81 -1.87 -3.46 114.58 109.95 1mkk h GLU 44 Ca 0.00 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 58.77 1mkk h GLU 44 Cb 0.15 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1mkk h GLU 44 CO 0.00 0.00 -0.35 0.71 -0.73 0.00 0.00 179.01 178.64 1mkk s TYR 45 N -3.44 2.94 -0.17 0.92 2.02 -0.43 -4.80 117.35 114.38 1mkk s TYR 45 Ca 0.03 -0.32 -0.05 0.00 -0.37 0.00 0.00 57.07 56.36 1mkk s TYR 45 Cb 0.09 -2.06 -0.03 0.00 -0.40 0.00 0.00 41.96 39.56 1mkk s TYR 45 CO 0.48 -0.07 0.01 0.42 -1.57 0.00 0.00 175.55 174.82 1mkk s ILE 46 N -2.29 4.25 0.01 2.71 1.01 -0.58 -4.97 121.20 121.34 1mkk s ILE 46 Ca 0.47 -0.23 0.06 0.00 0.00 0.00 0.00 60.65 60.95 1mkk s ILE 46 Cb -0.08 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 1mkk s ILE 46 CO 0.30 0.47 -0.16 -0.36 0.00 0.00 0.00 174.94 175.19 1mkk s PHE 47 N 0.45 2.62 -0.07 3.97 0.08 -1.26 -0.92 117.98 122.85 1mkk s PHE 47 Ca -0.01 -0.22 0.01 0.00 0.12 0.00 0.00 56.93 56.83 1mkk s PHE 47 Cb -0.14 -1.53 0.02 0.00 -0.57 0.00 0.00 43.02 40.80 1mkk s PHE 47 CO 0.02 0.22 -0.07 0.15 -0.10 0.00 0.00 175.22 175.45 1mkk s LYS 48 N -1.16 1.23 1.03 0.44 1.02 -0.20 -3.33 119.74 118.76 1mkk s LYS 48 Ca 0.14 -0.19 -0.12 0.00 0.02 0.00 0.00 55.97 55.81 1mkk s LYS 48 Cb -0.11 -1.23 0.21 0.00 -0.52 0.00 0.00 37.83 36.18 1mkk s LYS 48 CO 0.04 -0.14 1.08 -1.25 -0.92 0.00 0.00 175.35 174.15 1mkk s PRO 49 N 1.25 0.18 0.02 -1.68 0.04 -1.26 -1.36 135.00 132.19 1mkk s PRO 49 Ca -0.05 0.59 0.25 0.00 0.04 0.00 0.00 61.00 61.84 1mkk s PRO 49 Cb -0.14 -1.70 0.50 0.00 0.04 0.00 0.00 34.50 33.20 1mkk s PRO 49 CO -0.02 -2.92 1.41 -1.13 0.04 0.00 0.00 177.00 174.38 1mkk n SER 50 N -4.32 0.51 -4.04 6.66 3.41 -1.21 -4.88 113.62 109.76 1mkk n SER 50 Ca 0.05 -0.15 -0.08 0.00 -0.26 0.00 0.00 58.87 58.43 1mkk n SER 50 Cb 0.57 0.22 -0.10 0.00 -0.26 0.00 0.00 64.21 64.64 1mkk n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mkk s VAL 52 N -3.65 0.52 -0.11 0.00 -7.23 -0.14 -4.91 120.40 104.88 1mkk s VAL 52 Ca 0.04 -1.02 -0.27 0.00 -1.81 0.00 0.00 61.98 58.92 1mkk s VAL 52 Cb 0.06 -0.58 -0.02 0.00 0.56 0.00 0.00 36.38 36.40 1mkk s VAL 52 CO -0.09 -0.35 0.90 -2.16 -0.31 0.00 0.00 175.10 173.09 1mkk s PRO 53 N -1.48 4.39 0.04 4.82 0.04 -1.26 -0.97 135.00 140.59 1mkk s PRO 53 Ca -0.09 1.20 0.04 0.00 0.04 0.00 0.00 61.00 62.18 1mkk s PRO 53 Cb -0.09 -3.53 -0.02 0.00 0.04 0.00 0.00 34.50 30.89 1mkk s PRO 53 CO 0.00 -0.24 -0.12 -0.51 0.04 0.00 0.00 177.00 176.17 1mkk s LEU 54 N 1.80 2.19 -0.18 -3.56 1.43 -0.03 -4.89 118.68 115.45 1mkk s LEU 54 Ca 0.44 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.78 1mkk s LEU 54 Cb -0.18 -0.47 -0.00 0.00 0.03 0.00 0.00 46.19 45.57 1mkk s LEU 54 CO 0.17 -0.03 1.08 -0.04 0.23 0.00 0.00 176.35 177.76 1mkk s MET 55 N -1.22 4.31 -0.00 1.70 -1.94 -1.26 -0.61 119.30 120.27 1mkk s MET 55 Ca -0.01 1.44 0.01 0.00 -1.71 0.00 0.00 55.69 55.41 1mkk s MET 55 Cb -0.08 -3.63 0.00 0.00 2.01 0.00 0.00 34.83 33.13 1mkk s MET 55 CO 0.01 -0.55 -0.02 1.03 -0.01 0.00 0.00 175.02 175.48 1mkk s ARG 56 N 2.86 0.20 0.27 2.03 1.81 -0.45 -0.59 118.95 125.07 1mkk s ARG 56 Ca 0.48 -0.07 -0.30 0.00 -1.72 0.00 0.00 55.73 54.11 1mkk s ARG 56 Cb -0.18 -0.20 -0.11 0.00 -0.45 0.00 0.00 34.95 34.01 1mkk s ARG 56 CO 0.12 0.04 1.59 0.00 -0.68 0.00 0.00 175.30 176.36 1mkk s GLY 58 N 0.57 -0.03 0.27 0.00 0.00 -0.45 -4.89 107.32 102.79 1mkk s GLY 58 Ca 0.64 0.15 -0.04 0.00 0.00 0.00 0.00 44.72 45.47 1mkk s GLY 58 CO 0.45 0.08 0.34 -0.32 0.00 0.00 0.00 173.10 173.65 1mkk s GLY 59 N -0.40 1.33 0.26 0.20 0.00 -1.26 -2.19 107.32 105.26 1mkk s GLY 59 Ca -0.05 -1.47 -0.29 0.00 0.00 0.00 0.00 44.72 42.90 1mkk s GLY 59 CO 0.00 -1.08 1.25 0.00 0.00 0.00 0.00 173.10 173.27 1mkk s ALA 61 N -0.63 3.03 0.25 0.00 0.00 -1.26 -5.01 121.76 118.14 1mkk s ALA 61 Ca 0.51 1.20 -0.19 0.00 0.00 0.00 0.00 51.96 53.48 1mkk s ALA 61 Cb -0.36 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.28 1mkk s ALA 61 CO 0.44 -0.99 0.62 0.54 0.00 0.00 0.00 175.76 176.37 1mkk s ASN 62 N -0.97 -0.24 -0.13 0.00 2.20 -1.26 -5.04 114.94 109.49 1mkk s ASN 62 Ca 0.64 -0.62 0.16 0.00 -0.94 0.00 0.00 52.86 52.09 1mkk s ASN 62 Cb -0.36 0.66 0.40 0.00 -2.00 0.00 0.00 41.25 39.95 1mkk s ASN 62 CO 0.45 -1.22 1.30 0.47 -2.94 0.00 0.00 177.10 175.15 1mkk n ASP 63 N -0.41 3.21 -0.85 3.54 8.00 -1.26 -4.56 116.55 124.22 1mkk n ASP 63 Ca -0.05 -2.86 0.11 0.00 0.71 0.00 0.00 54.79 52.70 1mkk n ASP 63 Cb 0.61 -0.44 0.29 0.00 -0.02 0.00 0.00 41.12 41.55 1mkk n ASP 63 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1mkk n GLU 64 N -0.66 2.11 -1.09 -1.24 1.02 -1.26 -4.94 120.64 114.58 1mkk n GLU 64 Ca 0.17 -1.67 -0.03 0.00 -0.02 0.00 0.00 57.16 55.61 1mkk n GLU 64 Cb 0.73 -1.45 -0.01 0.00 -0.02 0.00 0.00 31.44 30.68 1mkk n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mkk n GLY 65 N 1.31 0.62 3.70 0.62 0.00 -1.26 -5.01 105.19 105.17 1mkk n GLY 65 Ca 0.17 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1mkk n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mkk s LEU 66 N -0.73 4.27 0.37 0.99 1.43 -1.26 -4.39 118.68 119.37 1mkk s LEU 66 Ca 0.00 1.32 0.08 0.00 -1.03 0.00 0.00 54.13 54.49 1mkk s LEU 66 Cb 0.00 -3.28 -0.03 0.00 0.03 0.00 0.00 46.19 42.90 1mkk s LEU 66 CO 0.00 -0.27 0.24 -1.83 0.23 0.00 0.00 176.35 174.72 1mkk s GLU 67 N 1.42 2.46 -0.20 1.70 -1.05 0.16 -4.83 118.70 118.36 1mkk s GLU 67 Ca 0.42 -1.55 0.01 0.00 -0.15 0.00 0.00 54.97 53.70 1mkk s GLU 67 Cb -0.18 -2.26 0.04 0.00 -0.44 0.00 0.00 34.13 31.29 1mkk s GLU 67 CO 0.18 -0.02 -0.15 0.00 0.95 0.00 0.00 175.26 176.23 1mkk s VAL 69 N 1.29 1.04 0.36 0.00 -7.23 -0.59 -4.84 120.40 110.44 1mkk s VAL 69 Ca -0.00 -1.46 -0.26 0.00 -1.81 0.00 0.00 61.98 58.45 1mkk s VAL 69 Cb -0.16 -1.20 -0.09 0.00 0.56 0.00 0.00 36.38 35.49 1mkk s VAL 69 CO -0.10 -0.38 1.06 -2.16 -0.31 0.00 0.00 175.10 173.21 1mkk s PRO 70 N -2.22 4.30 0.00 4.82 0.04 -1.26 -0.93 135.00 139.75 1mkk s PRO 70 Ca 0.02 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1mkk s PRO 70 Cb -0.07 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.75 1mkk s PRO 70 CO 0.02 -0.03 0.15 0.25 0.04 0.00 0.00 177.00 177.42 1mkk n THR 71 N 0.29 0.00 -3.74 1.26 -2.24 0.20 -4.86 114.28 105.19 1mkk n THR 71 Ca 0.03 -0.48 -0.13 0.00 -2.27 0.00 0.00 64.05 61.21 1mkk n THR 71 Cb 0.48 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 69.62 1mkk n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1mkk s GLU 72 N -0.67 0.39 0.08 -0.78 2.12 -1.14 -4.92 118.70 113.78 1mkk s GLU 72 Ca 0.00 0.53 -0.02 0.00 0.36 0.00 0.00 54.97 55.85 1mkk s GLU 72 Cb 0.00 0.14 -0.04 0.00 0.26 0.00 0.00 34.13 34.50 1mkk s GLU 72 CO 0.00 -0.07 0.01 -1.21 -0.54 0.00 0.00 175.26 173.45 1mkk s GLU 73 N 0.44 0.72 0.23 4.30 2.02 -1.26 -0.55 118.70 124.60 1mkk s GLU 73 Ca -0.02 -1.26 -0.15 0.00 0.02 0.00 0.00 54.97 53.55 1mkk s GLU 73 Cb -0.04 0.23 0.01 0.00 0.10 0.00 0.00 34.13 34.43 1mkk s GLU 73 CO -0.02 -0.17 0.53 -1.54 0.02 0.00 0.00 175.26 174.08 1mkk s SER 74 N -2.95 -0.16 0.04 -0.19 1.04 -0.66 -4.89 113.70 105.91 1mkk s SER 74 Ca 0.12 -0.74 0.03 0.00 0.48 0.00 0.00 55.95 55.83 1mkk s SER 74 Cb 0.08 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.76 1mkk s SER 74 CO -0.07 -1.14 0.01 0.20 0.98 0.00 0.00 173.24 173.22 1mkk s ASN 75 N -2.96 5.15 -0.04 7.02 0.01 -1.26 -0.45 114.94 122.41 1mkk s ASN 75 Ca 0.16 -0.06 0.05 0.00 -0.71 0.00 0.00 52.86 52.31 1mkk s ASN 75 Cb -0.02 -1.32 -0.01 0.00 0.41 0.00 0.00 41.25 40.32 1mkk s ASN 75 CO 0.05 0.24 -0.21 -0.51 -1.51 0.00 0.00 177.10 175.15 1mkk s ILE 76 N -1.19 1.72 -0.12 0.60 2.07 0.09 -4.91 121.20 119.45 1mkk s ILE 76 Ca 0.23 -0.89 -0.03 0.00 -1.41 0.00 0.00 60.65 58.54 1mkk s ILE 76 Cb -0.12 -1.46 -0.03 0.00 0.13 0.00 0.00 42.46 40.98 1mkk s ILE 76 CO 0.14 0.49 -0.00 -0.89 -1.91 0.00 0.00 174.94 172.76 1mkk s THR 77 N -0.16 4.22 0.02 4.00 2.01 -1.26 -0.56 115.64 123.92 1mkk s THR 77 Ca -0.01 -0.26 0.04 0.00 0.31 0.00 0.00 61.69 61.77 1mkk s THR 77 Cb -0.12 -2.82 -0.02 0.00 0.01 0.00 0.00 72.50 69.56 1mkk s THR 77 CO 0.02 0.55 -0.13 -0.04 -0.69 0.00 0.00 174.62 174.32 1mkk s MET 78 N -0.27 0.93 -0.17 4.92 1.00 -0.05 -4.94 119.30 120.72 1mkk s MET 78 Ca 0.06 -0.65 -0.29 0.00 0.00 0.00 0.00 55.69 54.80 1mkk s MET 78 Cb -0.12 -0.92 -0.00 0.00 0.00 0.00 0.00 34.83 33.79 1mkk s MET 78 CO 0.02 0.23 1.03 -0.65 0.00 0.00 0.00 175.02 175.65 1mkk s GLN 79 N -0.88 4.34 0.00 2.03 -0.21 -1.26 -0.89 119.66 122.79 1mkk s GLN 79 Ca 0.02 1.38 0.06 0.00 0.02 0.00 0.00 55.36 56.85 1mkk s GLN 79 Cb -0.07 -3.59 -0.02 0.00 1.00 0.00 0.00 33.01 30.33 1mkk s GLN 79 CO 0.01 -0.48 -0.19 0.42 -2.12 0.00 0.00 175.29 172.93 1mkk s ILE 80 N 2.62 1.54 0.02 1.08 -1.09 -0.10 -4.91 121.20 120.36 1mkk s ILE 80 Ca 0.46 -0.92 -0.24 0.00 -2.23 0.00 0.00 60.65 57.72 1mkk s ILE 80 Cb -0.17 -1.30 -0.05 0.00 -1.58 0.00 0.00 42.46 39.36 1mkk s ILE 80 CO 0.12 0.36 0.75 -0.32 -1.23 0.00 0.00 174.94 174.62 1mkk s MET 81 N -0.65 4.47 -0.01 2.79 -2.45 -0.47 -1.19 119.30 121.78 1mkk s MET 81 Ca 0.07 1.01 0.03 0.00 -1.25 0.00 0.00 55.69 55.56 1mkk s MET 81 Cb -0.08 -3.38 -0.01 0.00 1.25 0.00 0.00 34.83 32.61 1mkk s MET 81 CO -0.00 0.23 -0.11 0.50 1.05 0.00 0.00 175.02 176.70 1mkk s ARG 82 N 0.15 0.93 -0.09 4.11 3.52 0.15 -1.04 118.95 126.68 1mkk s ARG 82 Ca 0.38 -0.38 0.01 0.00 -0.13 0.00 0.00 55.73 55.61 1mkk s ARG 82 Cb -0.20 -0.89 0.02 0.00 -1.56 0.00 0.00 34.95 32.32 1mkk s ARG 82 CO 0.22 0.21 -0.09 -1.50 -0.81 0.00 0.00 175.30 173.33 1mkk s ILE 83 N -0.14 1.00 0.19 4.11 2.07 -0.10 -1.01 121.20 127.31 1mkk s ILE 83 Ca 0.02 -0.32 0.01 0.00 -1.41 0.00 0.00 60.65 58.95 1mkk s ILE 83 Cb -0.05 -0.98 -0.04 0.00 0.13 0.00 0.00 42.46 41.51 1mkk s ILE 83 CO -0.00 0.35 0.35 -0.54 -1.91 0.00 0.00 174.94 173.19 1mkk s LYS 84 N 1.30 3.48 0.34 3.50 1.02 -1.26 -1.53 119.74 126.60 1mkk s LYS 84 Ca -0.03 -0.46 -0.28 0.00 0.02 0.00 0.00 55.97 55.22 1mkk s LYS 84 Cb -0.14 -2.89 -0.12 0.00 -0.52 0.00 0.00 37.83 34.16 1mkk s LYS 84 CO -0.03 0.44 1.25 -2.30 -0.92 0.00 0.00 175.35 173.79 1mkk n PRO 85 N -0.69 2.02 -1.09 -1.68 -0.02 -1.26 -2.07 135.00 130.22 1mkk n PRO 85 Ca -0.06 0.71 -0.03 0.00 -2.02 0.00 0.00 63.50 62.10 1mkk n PRO 85 Cb 0.54 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.74 1mkk n PRO 85 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1mkk n HIS 86 N 0.29 0.00 -4.37 6.00 8.25 -1.26 -4.99 115.22 119.14 1mkk n HIS 86 Ca 0.05 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.33 1mkk n HIS 86 Cb 0.36 -1.21 -0.10 0.00 1.12 0.00 0.00 29.99 30.16 1mkk n HIS 86 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1mkk s GLN 87 N -1.50 1.43 0.83 -0.41 -0.21 -0.88 -5.16 119.66 113.76 1mkk s GLN 87 Ca 0.00 -1.74 -0.06 0.00 0.02 0.00 0.00 55.36 53.58 1mkk s GLN 87 Cb 0.00 -0.74 0.18 0.00 1.00 0.00 0.00 33.01 33.45 1mkk s GLN 87 CO 0.00 -0.10 1.13 0.41 -2.12 0.00 0.00 175.29 174.61 1mkk n GLY 88 N -0.49 -0.14 3.73 3.09 0.00 -1.26 -4.66 105.19 105.46 1mkk n GLY 88 Ca -0.04 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 1mkk n GLY 88 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mkk s GLN 89 N -5.42 4.38 0.16 1.61 -0.21 -1.26 -4.54 119.66 114.37 1mkk s GLN 89 Ca 0.70 2.06 0.10 0.00 0.02 0.00 0.00 55.36 58.24 1mkk s GLN 89 Cb -0.03 -3.20 -0.04 0.00 1.00 0.00 0.00 33.01 30.74 1mkk s GLN 89 CO 0.48 -0.28 -0.20 -1.01 -2.12 0.00 0.00 175.29 172.16 1mkk s HIS 90 N 0.24 2.44 -0.10 0.91 3.76 -0.18 -4.99 115.29 117.37 1mkk s HIS 90 Ca 0.58 -0.31 0.04 0.00 -0.15 0.00 0.00 55.06 55.22 1mkk s HIS 90 Cb -0.37 -1.24 -0.00 0.00 1.11 0.00 0.00 32.58 32.08 1mkk s HIS 90 CO 0.37 0.45 -0.23 0.42 -0.85 0.00 0.00 174.74 174.90 1mkk s ILE 91 N -1.45 2.12 0.20 0.60 1.01 -1.26 -0.68 121.20 121.75 1mkk s ILE 91 Ca 0.20 -1.00 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 1mkk s ILE 91 Cb -0.09 -1.81 0.01 0.00 0.01 0.00 0.00 42.46 40.59 1mkk s ILE 91 CO 0.11 0.56 0.47 -0.83 0.00 0.00 0.00 174.94 175.25 1mkk s GLY 92 N 0.29 0.14 0.17 6.18 0.00 -0.33 -4.93 107.32 108.84 1mkk s GLY 92 Ca -0.17 -0.49 -0.30 0.00 0.00 0.00 0.00 44.72 43.76 1mkk s GLY 92 CO 0.08 -0.44 1.13 -0.54 0.00 0.00 0.00 173.10 173.33 1mkk s GLU 93 N -3.92 4.56 -0.03 2.90 2.02 -1.26 -0.92 118.70 122.05 1mkk s GLU 93 Ca 0.13 1.76 0.02 0.00 0.02 0.00 0.00 54.97 56.91 1mkk s GLU 93 Cb -0.00 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.96 1mkk s GLU 93 CO 0.00 0.01 -0.08 -1.64 0.02 0.00 0.00 175.26 173.57 1mkk s MET 94 N -0.26 0.90 -0.09 1.61 -1.94 -0.07 -4.94 119.30 114.51 1mkk s MET 94 Ca 0.51 -0.27 -0.07 0.00 -1.71 0.00 0.00 55.69 54.15 1mkk s MET 94 Cb -0.30 -0.85 -0.04 0.00 2.01 0.00 0.00 34.83 35.65 1mkk s MET 94 CO 0.35 0.09 0.17 -1.12 -0.01 0.00 0.00 175.02 174.50 1mkk s SER 95 N 0.24 6.42 0.04 3.03 0.01 -1.26 -0.88 113.70 121.30 1mkk s SER 95 Ca -0.04 0.49 0.03 0.00 1.31 0.00 0.00 55.95 57.75 1mkk s SER 95 Cb -0.09 -2.07 -0.02 0.00 0.21 0.00 0.00 66.02 64.05 1mkk s SER 95 CO 0.00 0.37 -0.10 -0.36 0.41 0.00 0.00 173.24 173.56 1mkk s PHE 96 N -1.09 0.90 0.06 2.43 0.08 0.27 -4.96 117.98 115.68 1mkk s PHE 96 Ca 0.18 -0.39 -0.27 0.00 0.12 0.00 0.00 56.93 56.57 1mkk s PHE 96 Cb -0.12 -0.53 -0.05 0.00 -0.57 0.00 0.00 43.02 41.74 1mkk s PHE 96 CO 0.07 -0.01 0.85 -1.17 -0.10 0.00 0.00 175.22 174.86 1mkk s LEU 97 N -1.27 4.46 0.17 -0.37 2.96 -1.26 -0.73 118.68 122.64 1mkk s LEU 97 Ca -0.03 1.57 0.11 0.00 -0.22 0.00 0.00 54.13 55.56 1mkk s LEU 97 Cb -0.08 -3.37 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 1mkk s LEU 97 CO 0.01 -0.04 -0.23 -1.10 -1.32 0.00 0.00 176.35 173.67 1mkk s GLN 98 N 0.07 1.55 -0.20 1.98 -0.21 0.40 -4.79 119.66 118.46 1mkk s GLN 98 Ca 0.42 -1.43 -0.07 0.00 0.02 0.00 0.00 55.36 54.30 1mkk s GLN 98 Cb -0.21 -1.91 -0.04 0.00 1.00 0.00 0.00 33.01 31.85 1mkk s GLN 98 CO 0.26 0.42 0.06 -1.01 -2.12 0.00 0.00 175.29 172.89 1mkk s HIS 99 N -1.46 3.17 -0.11 0.91 3.76 0.24 -1.66 115.29 120.14 1mkk s HIS 99 Ca 0.19 -0.11 0.16 0.00 -0.15 0.00 0.00 55.06 55.15 1mkk s HIS 99 Cb -0.09 -2.12 -0.24 0.00 1.11 0.00 0.00 32.58 31.24 1mkk s HIS 99 CO 0.09 -0.03 0.20 0.09 -0.85 0.00 0.00 174.74 174.24 1mkk n ASN 100 N 3.98 0.80 -3.81 1.40 4.13 0.29 -4.55 115.26 117.51 1mkk n ASN 100 Ca -0.16 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 55.97 1mkk n ASN 100 Cb 0.52 1.29 -0.09 0.00 -1.54 0.00 0.00 39.78 39.95 1mkk n ASN 100 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1mkk s LYS 101 N -2.76 0.54 0.06 3.52 1.02 -1.14 -4.86 119.74 116.13 1mkk s LYS 101 Ca -0.08 -0.21 -0.00 0.00 0.02 0.00 0.00 55.97 55.70 1mkk s LYS 101 Cb 0.08 0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.59 1mkk s LYS 101 CO 0.72 -0.14 -0.04 0.00 -0.92 0.00 0.00 175.35 174.98 1mkk s GLU 103 N -3.73 0.50 0.11 0.00 -1.05 -0.11 -4.83 118.70 109.59 1mkk s GLU 103 Ca 0.06 -0.28 -0.29 0.00 -0.15 0.00 0.00 54.97 54.32 1mkk s GLU 103 Cb 0.06 0.21 -0.06 0.00 -0.44 0.00 0.00 34.13 33.91 1mkk s GLU 103 CO -0.08 -0.12 0.91 0.00 0.95 0.00 0.00 175.26 176.91 1mkk s ALA 104 N -1.22 3.29 0.00 -0.84 0.00 -1.26 -1.54 121.76 120.19 1mkk s ALA 104 Ca -0.13 0.50 -0.02 0.00 0.00 0.00 0.00 51.96 52.31 1mkk s ALA 104 Cb -0.06 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 1mkk s ALA 104 CO 0.02 0.02 0.03 1.03 0.00 0.00 0.00 175.76 176.87 1mkk s ARG 105 N -0.14 0.25 0.00 0.00 0.52 -0.22 -4.96 118.95 114.41 1mkk s ARG 105 Ca 0.44 -0.31 0.24 0.00 -0.52 0.00 0.00 55.73 55.58 1mkk s ARG 105 Cb -0.23 0.10 1.41 0.00 0.52 0.00 0.00 34.95 36.75 1mkk s ARG 105 CO 0.28 -0.05 1.78 -0.35 0.02 0.00 0.00 175.30 176.99