#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kt9 s MET 2 N 0.00 4.19 0.50 0.03 0.00 -1.26 -4.99 119.30 117.77 3kt9 s MET 2 Ca 0.00 1.96 -0.22 0.00 0.00 0.00 0.00 55.69 57.43 3kt9 s MET 2 Cb 0.00 -2.85 -0.06 0.00 0.00 0.00 0.00 34.83 31.92 3kt9 s MET 2 CO 0.00 -0.24 1.21 1.03 0.00 0.00 0.00 175.02 177.02 3kt9 s ARG 3 N -2.05 3.52 0.09 4.11 0.52 -1.26 -4.95 118.95 118.92 3kt9 s ARG 3 Ca 0.53 1.87 -0.25 0.00 -0.52 0.00 0.00 55.73 57.36 3kt9 s ARG 3 Cb -0.34 -2.30 -0.06 0.00 0.52 0.00 0.00 34.95 32.77 3kt9 s ARG 3 CO 0.43 -0.78 0.78 0.08 0.02 0.00 0.00 175.30 175.84 3kt9 s VAL 4 N -1.52 4.60 -0.25 3.52 1.01 0.21 -4.83 120.40 123.14 3kt9 s VAL 4 Ca 0.67 1.69 -0.12 0.00 0.00 0.00 0.00 61.98 64.22 3kt9 s VAL 4 Cb -0.31 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 3kt9 s VAL 4 CO 0.37 0.41 0.22 0.00 0.00 0.00 0.00 175.10 176.10 3kt9 s TRP 6 N 1.37 2.87 -0.35 0.00 0.52 0.04 -0.67 118.94 122.74 3kt9 s TRP 6 Ca 0.10 -0.70 -0.20 0.00 0.02 0.00 0.00 56.10 55.31 3kt9 s TRP 6 Cb -0.15 -1.92 -0.00 0.00 -1.15 0.00 0.00 33.47 30.25 3kt9 s TRP 6 CO 0.07 -0.29 0.63 -1.17 0.02 0.00 0.00 176.95 176.21 3kt9 s LEU 7 N 0.64 4.24 -0.15 2.99 2.96 0.59 -1.15 118.68 128.80 3kt9 s LEU 7 Ca -0.06 0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 54.01 3kt9 s LEU 7 Cb -0.15 -2.78 -0.02 0.00 0.50 0.00 0.00 46.19 43.74 3kt9 s LEU 7 CO 0.03 -0.56 -0.07 -0.69 -1.32 0.00 0.00 176.35 173.73 3kt9 s VAL 8 N 2.67 3.58 -0.33 1.68 1.01 0.19 -0.65 120.40 128.55 3kt9 s VAL 8 Ca 0.24 -0.47 -0.28 0.00 0.00 0.00 0.00 61.98 61.47 3kt9 s VAL 8 Cb -0.15 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 3kt9 s VAL 8 CO 0.14 0.50 1.90 -0.60 0.00 0.00 0.00 175.10 177.04 3kt9 s ARG 9 N 0.43 3.22 0.26 2.72 6.06 -0.43 -1.19 118.95 130.02 3kt9 s ARG 9 Ca -0.06 1.49 -0.04 0.00 -2.50 0.00 0.00 55.73 54.63 3kt9 s ARG 9 Cb -0.15 -4.25 0.35 0.00 0.06 0.00 0.00 34.95 30.96 3kt9 s ARG 9 CO 0.04 -1.99 1.90 0.37 -2.50 0.00 0.00 175.30 173.11 3kt9 h GLN 10 N 13.58 1.21 -0.39 5.12 4.15 -1.33 -1.70 115.11 135.74 3kt9 h GLN 10 Ca -0.34 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.00 3kt9 h GLN 10 Cb 1.18 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 28.60 3kt9 h GLN 10 CO 1.03 0.80 0.00 -0.40 -1.93 0.00 0.00 178.83 178.34 3kt9 n ASP 11 N -4.46 2.54 -2.89 -0.69 5.75 -1.26 -4.26 116.55 111.29 3kt9 n ASP 11 Ca 0.14 -1.93 -0.11 0.00 -0.01 0.00 0.00 54.79 52.88 3kt9 n ASP 11 Cb 0.12 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 3kt9 n ASP 11 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 3kt9 n SER 12 N 0.89 -2.32 0.00 -1.12 2.88 -0.68 -5.05 113.62 108.21 3kt9 n SER 12 Ca 0.17 -3.01 0.09 0.00 -1.33 0.00 0.00 58.87 54.79 3kt9 n SER 12 Cb 0.43 1.18 0.49 0.00 -0.75 0.00 0.00 64.21 65.55 3kt9 n SER 12 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3kt9 n ARG 13 N 2.08 0.43 0.13 -1.46 1.85 -0.96 -1.34 116.66 117.39 3kt9 n ARG 13 Ca 0.16 0.05 0.13 0.00 -1.00 0.00 0.00 57.85 57.18 3kt9 n ARG 13 Cb 0.58 -1.50 0.31 0.00 -1.05 0.00 0.00 32.46 30.80 3kt9 n ARG 13 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3kt9 h HIS 14 N 0.00 0.00 -2.39 2.89 3.86 -1.96 -3.41 115.15 114.13 3kt9 h HIS 14 Ca 0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 3kt9 h HIS 14 Cb 0.06 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.44 3kt9 h HIS 14 CO 0.00 0.00 0.98 -1.14 0.86 0.00 0.00 177.93 178.63 3kt9 s GLN 15 N -3.14 3.18 -0.02 2.45 0.74 -0.45 -4.99 119.66 117.42 3kt9 s GLN 15 Ca 0.09 -0.34 0.05 0.00 0.05 0.00 0.00 55.36 55.21 3kt9 s GLN 15 Cb 0.10 -4.20 -0.01 0.00 1.10 0.00 0.00 33.01 30.00 3kt9 s GLN 15 CO 0.63 -2.10 -0.18 1.03 -0.55 0.00 0.00 175.29 174.13 3kt9 s ARG 16 N 5.46 1.58 -0.11 1.67 0.52 -1.26 -1.32 118.95 125.50 3kt9 s ARG 16 Ca 0.33 -0.64 0.03 0.00 -0.52 0.00 0.00 55.73 54.93 3kt9 s ARG 16 Cb -0.09 -1.48 0.01 0.00 0.52 0.00 0.00 34.95 33.91 3kt9 s ARG 16 CO 0.14 0.35 -0.19 0.42 0.02 0.00 0.00 175.30 176.03 3kt9 s ILE 17 N -0.28 1.79 0.01 1.52 1.01 0.17 -4.96 121.20 120.47 3kt9 s ILE 17 Ca 0.04 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 59.55 3kt9 s ILE 17 Cb -0.08 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.74 3kt9 s ILE 17 CO 0.00 0.50 1.37 -0.13 0.00 0.00 0.00 174.94 176.68 3kt9 s ARG 18 N 0.71 4.30 -0.38 2.79 0.52 -1.26 -0.30 118.95 125.32 3kt9 s ARG 18 Ca -0.11 1.94 -0.06 0.00 -0.52 0.00 0.00 55.73 56.97 3kt9 s ARG 18 Cb -0.16 -3.53 0.07 0.00 0.52 0.00 0.00 34.95 31.85 3kt9 s ARG 18 CO 0.02 -0.53 0.18 -0.51 0.02 0.00 0.00 175.30 174.48 3kt9 s LEU 19 N 2.19 4.84 0.32 2.53 1.43 0.16 -4.94 118.68 125.21 3kt9 s LEU 19 Ca 0.63 -1.50 -0.29 0.00 -1.03 0.00 0.00 54.13 51.94 3kt9 s LEU 19 Cb -0.31 -1.90 -0.10 0.00 0.03 0.00 0.00 46.19 43.91 3kt9 s LEU 19 CO 0.27 -0.46 1.41 -2.84 0.23 0.00 0.00 176.35 174.95 3kt9 s PRO 20 N 1.34 4.25 -0.24 1.29 0.02 -1.26 -4.21 135.00 136.19 3kt9 s PRO 20 Ca 0.02 2.36 -0.39 0.00 0.02 0.00 0.00 61.00 63.01 3kt9 s PRO 20 Cb -0.22 -3.05 -0.15 0.00 0.02 0.00 0.00 34.50 31.11 3kt9 s PRO 20 CO 0.01 -0.37 1.80 1.58 -0.33 0.00 0.00 177.00 179.69 3kt9 n HIS 21 N 1.16 2.11 -1.57 6.54 -0.00 -1.26 -2.11 115.22 120.09 3kt9 n HIS 21 Ca 0.02 0.39 -0.20 0.00 -0.00 0.00 0.00 57.72 57.94 3kt9 n HIS 21 Cb 0.40 -2.51 -0.08 0.00 -0.00 0.00 0.00 29.99 27.80 3kt9 n HIS 21 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3kt9 n LEU 22 N 5.89 -1.38 -4.34 0.27 4.77 0.12 -4.95 117.00 117.37 3kt9 n LEU 22 Ca 0.26 0.48 -0.32 0.00 -0.03 0.00 0.00 56.01 56.40 3kt9 n LEU 22 Cb 0.17 -2.80 -0.15 0.00 -2.33 0.00 0.00 43.42 38.31 3kt9 n LEU 22 CO 0.79 -1.07 -0.49 -1.61 -1.33 0.00 0.00 177.39 173.68 3kt9 s GLU 23 N -3.66 3.00 0.08 3.23 2.02 -0.90 -4.95 118.70 117.54 3kt9 s GLU 23 Ca 0.00 -0.77 -0.31 0.00 0.02 0.00 0.00 54.97 53.92 3kt9 s GLU 23 Cb 0.00 -2.43 -0.07 0.00 0.10 0.00 0.00 34.13 31.73 3kt9 s GLU 23 CO 0.00 0.31 1.37 0.00 0.02 0.00 0.00 175.26 176.96 3kt9 s ALA 24 N 0.05 3.56 -0.17 5.21 0.00 -1.26 -4.43 121.76 124.73 3kt9 s ALA 24 Ca -0.07 1.04 0.01 0.00 0.00 0.00 0.00 51.96 52.93 3kt9 s ALA 24 Cb -0.15 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.46 3kt9 s ALA 24 CO 0.05 -0.65 -0.15 0.08 0.00 0.00 0.00 175.76 175.09 3kt9 s VAL 25 N 1.36 1.73 -0.25 0.00 1.01 0.54 -4.92 120.40 119.87 3kt9 s VAL 25 Ca 0.64 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 3kt9 s VAL 25 Cb -0.35 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 3kt9 s VAL 25 CO 0.29 0.42 0.13 -0.69 0.00 0.00 0.00 175.10 175.25 3kt9 s VAL 26 N 1.41 4.93 0.16 2.92 1.01 -1.26 0.12 120.40 129.70 3kt9 s VAL 26 Ca 0.04 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.07 3kt9 s VAL 26 Cb -0.14 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 3kt9 s VAL 26 CO -0.11 0.33 -0.02 0.27 0.00 0.00 0.00 175.10 175.57 3kt9 s ILE 27 N 1.39 0.74 0.00 2.22 -4.36 -0.62 -4.99 121.20 115.58 3kt9 s ILE 27 Ca 0.06 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.47 3kt9 s ILE 27 Cb -0.15 -2.04 0.00 0.00 1.25 0.00 0.00 42.46 41.52 3kt9 s ILE 27 CO 0.06 -0.55 0.00 0.61 0.24 0.00 0.00 174.94 175.30 3kt9 n GLY 28 N -0.21 -1.02 3.71 6.27 0.00 -1.11 -1.52 105.19 111.30 3kt9 n GLY 28 Ca -0.08 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3kt9 n GLY 28 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kt9 s ARG 29 N -0.12 4.25 0.00 1.61 3.52 -0.09 -4.46 118.95 123.66 3kt9 s ARG 29 Ca 0.00 2.24 0.00 0.00 -0.13 0.00 0.00 55.73 57.84 3kt9 s ARG 29 Cb 0.00 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.12 3kt9 s ARG 29 CO 0.00 -0.56 0.00 0.41 -0.81 0.00 0.00 175.30 174.34 3kt9 n GLY 30 N 3.69 -0.86 0.17 8.12 0.00 -1.18 -4.37 105.19 110.76 3kt9 n GLY 30 Ca 0.13 -1.27 0.04 0.00 0.00 0.00 0.00 46.02 44.92 3kt9 n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kt9 h PRO 31 N 0.60 0.00 -0.06 1.61 0.13 -1.90 -0.86 132.00 131.52 3kt9 h PRO 31 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 3kt9 h PRO 31 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 3kt9 h PRO 31 CO 0.00 0.44 0.00 0.93 -0.23 0.00 0.00 178.00 179.14 3kt9 h GLU 32 N 0.00 0.10 0.00 0.86 3.07 -1.94 -3.32 114.58 113.36 3kt9 h GLU 32 Ca -0.00 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.78 3kt9 h GLU 32 Cb 0.97 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.86 3kt9 h GLU 32 CO 0.06 0.36 -1.25 0.25 -1.40 0.00 0.00 179.01 177.03 3kt9 n THR 33 N -4.88 0.71 -1.15 1.13 -2.24 -1.22 -4.96 114.28 101.67 3kt9 n THR 33 Ca -0.07 -0.59 -0.05 0.00 -2.27 0.00 0.00 64.05 61.08 3kt9 n THR 33 Cb 0.18 -0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 67.99 3kt9 n THR 33 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kt9 n LYS 34 N -2.68 -1.37 -2.32 -0.78 5.02 -0.33 -4.98 118.16 110.71 3kt9 n LYS 34 Ca -0.04 0.59 -0.42 0.00 -2.02 0.00 0.00 58.31 56.43 3kt9 n LYS 34 Cb 0.64 -4.73 -0.03 0.00 -0.02 0.00 0.00 35.03 30.88 3kt9 n LYS 34 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kt9 s ILE 35 N -1.68 3.69 -0.37 -0.18 1.01 -1.25 -4.91 121.20 117.51 3kt9 s ILE 35 Ca 0.00 1.25 0.06 0.00 0.00 0.00 0.00 60.65 61.96 3kt9 s ILE 35 Cb 0.00 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 3kt9 s ILE 35 CO 0.00 0.12 0.33 0.35 0.00 0.00 0.00 174.94 175.74 3kt9 n THR 36 N 3.66 0.00 -1.64 2.92 -2.24 -1.26 -3.13 114.28 112.58 3kt9 n THR 36 Ca 0.09 -0.40 -0.46 0.00 -2.27 0.00 0.00 64.05 61.01 3kt9 n THR 36 Cb 0.45 1.03 -0.04 0.00 -2.10 0.00 0.00 70.33 69.66 3kt9 n THR 36 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3kt9 n ASP 37 N -0.81 3.55 0.15 3.42 -0.08 -1.26 -4.86 116.55 116.66 3kt9 n ASP 37 Ca 0.02 0.78 0.13 0.00 -1.51 0.00 0.00 54.79 54.20 3kt9 n ASP 37 Cb 0.10 -1.44 0.54 0.00 2.34 0.00 0.00 41.12 42.66 3kt9 n ASP 37 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3kt9 h LYS 38 N 10.88 0.00 0.00 -0.67 1.57 -2.01 -1.76 116.57 124.58 3kt9 h LYS 38 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3kt9 h LYS 38 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3kt9 h LYS 38 CO 0.95 0.00 0.00 0.87 -0.57 0.00 0.00 179.45 180.70 3kt9 h LYS 39 N 0.00 0.00 -5.82 3.15 1.79 -2.03 -3.42 116.57 110.24 3kt9 h LYS 39 Ca 0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 3kt9 h LYS 39 Cb 0.34 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.91 3kt9 h LYS 39 CO 0.00 0.00 0.20 0.00 -1.08 0.00 0.00 179.45 178.57 3kt9 s SER 41 N 1.10 5.02 0.42 0.00 0.15 -1.26 -4.48 113.70 114.65 3kt9 s SER 41 Ca 0.33 2.14 0.11 0.00 0.70 0.00 0.00 55.95 59.23 3kt9 s SER 41 Cb -0.16 -2.57 0.89 0.00 -1.71 0.00 0.00 66.02 62.46 3kt9 s SER 41 CO 0.12 -1.69 1.97 0.03 1.20 0.00 0.00 173.24 174.87 3kt9 h ARG 42 N 0.24 0.21 -3.30 5.44 3.08 -1.92 -0.20 114.38 117.94 3kt9 h ARG 42 Ca -0.48 -0.04 -0.65 0.00 0.07 0.00 0.00 59.98 58.88 3kt9 h ARG 42 Cb 1.26 -0.03 -0.40 0.00 0.08 0.00 0.00 29.97 30.88 3kt9 h ARG 42 CO 0.54 0.30 -0.49 -0.65 -1.07 0.00 0.00 179.97 178.59 3kt9 s GLN 43 N -4.86 2.42 -0.23 0.04 1.11 -1.26 -2.75 119.66 114.13 3kt9 s GLN 43 Ca -0.06 -2.95 -0.09 0.00 0.01 0.00 0.00 55.36 52.27 3kt9 s GLN 43 Cb 0.16 -3.51 -0.17 0.00 -1.01 0.00 0.00 33.01 28.47 3kt9 s GLN 43 CO 0.72 -1.20 -0.08 0.94 0.01 0.00 0.00 175.29 175.68 3kt9 n GLN 44 N 2.66 0.63 -4.20 2.91 -0.06 -0.58 -3.08 117.38 115.68 3kt9 n GLN 44 Ca 0.13 0.29 -0.19 0.00 -2.00 0.00 0.00 57.00 55.22 3kt9 n GLN 44 Cb 0.35 -1.59 -0.12 0.00 -4.06 0.00 0.00 30.24 24.82 3kt9 n GLN 44 CO 0.00 0.00 0.00 0.14 -0.20 0.00 0.00 177.06 177.00 3kt9 s VAL 45 N -2.49 1.24 -0.15 1.69 -7.23 -0.66 -0.15 120.40 112.63 3kt9 s VAL 45 Ca -0.33 -1.38 -0.02 0.00 -1.81 0.00 0.00 61.98 58.45 3kt9 s VAL 45 Cb 0.10 -1.19 -0.02 0.00 0.56 0.00 0.00 36.38 35.83 3kt9 s VAL 45 CO 0.59 -0.21 -0.10 -1.58 -0.31 0.00 0.00 175.10 173.50 3kt9 s GLN 46 N -1.84 3.43 -0.10 4.82 0.74 0.62 -1.58 119.66 125.75 3kt9 s GLN 46 Ca 0.00 -0.64 0.03 0.00 0.05 0.00 0.00 55.36 54.80 3kt9 s GLN 46 Cb -0.10 -2.76 -0.01 0.00 1.10 0.00 0.00 33.01 31.24 3kt9 s GLN 46 CO 0.03 0.13 -0.19 -0.51 -0.55 0.00 0.00 175.29 174.19 3kt9 s LEU 47 N 0.60 2.36 -0.28 3.68 1.43 0.12 -0.93 118.68 125.66 3kt9 s LEU 47 Ca -0.06 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 3kt9 s LEU 47 Cb -0.15 -1.49 0.08 0.00 0.03 0.00 0.00 46.19 44.66 3kt9 s LEU 47 CO 0.03 0.18 0.04 -0.54 0.23 0.00 0.00 176.35 176.29 3kt9 s LYS 48 N 0.23 1.11 0.28 1.70 1.02 -0.28 -0.34 119.74 123.45 3kt9 s LYS 48 Ca -0.13 -1.11 -0.29 0.00 0.02 0.00 0.00 55.97 54.46 3kt9 s LYS 48 Cb -0.16 -2.40 -0.09 0.00 -0.52 0.00 0.00 37.83 34.66 3kt9 s LYS 48 CO 0.07 -0.82 1.10 0.00 -0.92 0.00 0.00 175.35 174.78 3kt9 s ALA 49 N 1.46 3.41 -0.43 5.17 0.00 -1.26 -0.78 121.76 129.33 3kt9 s ALA 49 Ca 0.04 0.90 -0.01 0.00 0.00 0.00 0.00 51.96 52.89 3kt9 s ALA 49 Cb -0.18 -3.33 0.12 0.00 0.00 0.00 0.00 23.12 19.73 3kt9 s ALA 49 CO -0.14 -0.17 0.21 -2.00 0.00 0.00 0.00 175.76 173.66 3kt9 s GLU 50 N -1.39 1.98 0.35 0.00 -6.30 0.49 0.10 118.70 113.92 3kt9 s GLU 50 Ca 0.45 -1.99 0.19 0.00 -2.50 0.00 0.00 54.97 51.12 3kt9 s GLU 50 Cb -0.32 -3.51 0.41 0.00 0.00 0.00 0.00 34.13 30.71 3kt9 s GLU 50 CO 0.41 -1.06 1.60 0.00 0.02 0.00 0.00 175.26 176.23 3kt9 h ASN 52 N 0.00 0.67 0.66 0.00 -0.26 -1.94 -3.38 115.58 111.33 3kt9 h ASN 52 Ca -0.00 -0.91 0.00 0.00 -0.56 0.00 0.00 56.30 54.83 3kt9 h ASN 52 Cb 1.11 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 38.16 3kt9 h ASN 52 CO 0.05 1.53 -0.76 0.29 -1.06 0.00 0.00 177.43 177.47 3kt9 n LYS 53 N -3.95 0.26 -2.66 0.81 5.02 -1.21 -4.99 118.16 111.45 3kt9 n LYS 53 Ca -0.15 0.04 -0.05 0.00 -2.02 0.00 0.00 58.31 56.14 3kt9 n LYS 53 Cb 0.93 -1.63 0.02 0.00 -0.02 0.00 0.00 35.03 34.33 3kt9 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kt9 n GLY 54 N 1.37 0.60 3.31 0.72 0.00 -0.02 -5.07 105.19 106.09 3kt9 n GLY 54 Ca 0.03 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 3kt9 n GLY 54 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kt9 s TYR 55 N -3.07 0.97 -0.10 1.61 1.13 -1.13 -4.44 117.35 112.34 3kt9 s TYR 55 Ca 0.10 -1.22 0.01 0.00 -1.41 0.00 0.00 57.07 54.55 3kt9 s TYR 55 Cb -0.05 -0.36 0.02 0.00 -1.10 0.00 0.00 41.96 40.47 3kt9 s TYR 55 CO 0.15 -0.75 -0.09 0.08 -2.51 0.00 0.00 175.55 172.43 3kt9 s VAL 56 N -4.08 1.05 -0.05 -3.49 1.01 -0.41 -0.38 120.40 114.06 3kt9 s VAL 56 Ca 0.35 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 3kt9 s VAL 56 Cb 0.05 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3kt9 s VAL 56 CO 0.12 0.36 1.34 -0.54 0.00 0.00 0.00 175.10 176.38 3kt9 s LYS 57 N 1.33 4.28 -0.23 2.72 1.02 0.04 -0.17 119.74 128.74 3kt9 s LYS 57 Ca -0.02 1.85 -0.02 0.00 0.02 0.00 0.00 55.97 57.79 3kt9 s LYS 57 Cb -0.14 -3.64 0.01 0.00 -0.52 0.00 0.00 37.83 33.55 3kt9 s LYS 57 CO -0.04 -0.59 -0.07 0.08 -0.92 0.00 0.00 175.35 173.81 3kt9 s VAL 58 N 2.69 2.93 -0.21 3.17 1.01 0.44 -1.13 120.40 129.29 3kt9 s VAL 58 Ca 0.61 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 3kt9 s VAL 58 Cb -0.28 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 3kt9 s VAL 58 CO 0.23 0.31 0.01 -0.75 0.00 0.00 0.00 175.10 174.90 3kt9 s LYS 59 N 1.37 3.59 -0.14 2.72 2.20 -0.11 -1.11 119.74 128.25 3kt9 s LYS 59 Ca 0.03 -0.53 -0.29 0.00 -0.36 0.00 0.00 55.97 54.82 3kt9 s LYS 59 Cb -0.15 -3.12 -0.02 0.00 -1.51 0.00 0.00 37.83 33.02 3kt9 s LYS 59 CO -0.05 -0.07 1.29 -1.14 -0.36 0.00 0.00 175.35 175.02 3kt9 s GLN 60 N 1.22 4.24 -0.24 4.03 0.74 -1.00 -0.28 119.66 128.37 3kt9 s GLN 60 Ca 0.03 1.71 0.07 0.00 0.05 0.00 0.00 55.36 57.23 3kt9 s GLN 60 Cb -0.15 -3.77 -0.20 0.00 1.10 0.00 0.00 33.01 30.00 3kt9 s GLN 60 CO 0.01 -0.70 -0.13 0.28 -0.55 0.00 0.00 175.29 174.20 3kt9 n VAL 61 N 5.31 1.46 -1.37 1.34 0.31 0.78 0.45 118.33 126.61 3kt9 n VAL 61 Ca 0.14 -0.66 -0.30 0.00 -0.01 0.00 0.00 64.34 63.50 3kt9 n VAL 61 Cb 0.45 -1.12 0.09 0.00 -0.91 0.00 0.00 33.84 32.35 3kt9 n VAL 61 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3kt9 s GLY 62 N -6.19 1.65 0.02 2.92 0.00 -0.55 -4.76 107.32 100.41 3kt9 s GLY 62 Ca -0.27 0.06 -0.19 0.00 0.00 0.00 0.00 44.72 44.32 3kt9 s GLY 62 CO 0.67 0.44 1.13 -0.24 0.00 0.00 0.00 173.10 175.11 3kt9 h VAL 63 N -1.13 1.40 -4.07 1.40 3.04 -1.91 -3.41 116.25 111.57 3kt9 h VAL 63 Ca -0.46 -2.07 -0.48 0.00 -1.01 0.00 0.00 66.70 62.69 3kt9 h VAL 63 Cb 1.25 2.51 0.03 0.00 -2.01 0.00 0.00 31.29 33.07 3kt9 h VAL 63 CO 0.55 0.61 0.40 0.20 -1.01 0.00 0.00 177.57 178.31 3kt9 s ASN 64 N -6.82 6.26 -0.00 3.17 0.01 -1.26 -4.72 114.94 111.57 3kt9 s ASN 64 Ca -0.13 1.98 -0.30 0.00 -0.71 0.00 0.00 52.86 53.70 3kt9 s ASN 64 Cb 0.04 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 39.08 3kt9 s ASN 64 CO 0.84 -0.84 1.40 -2.16 -1.51 0.00 0.00 177.10 174.83 3kt9 s PRO 65 N -3.19 4.28 -0.06 -0.60 0.04 -1.26 -4.87 135.00 129.34 3kt9 s PRO 65 Ca 0.68 1.96 -0.11 0.00 0.04 0.00 0.00 61.00 63.57 3kt9 s PRO 65 Cb -0.18 -3.58 -0.05 0.00 0.04 0.00 0.00 34.50 30.73 3kt9 s PRO 65 CO 0.22 -0.58 0.28 0.99 0.04 0.00 0.00 177.00 177.95 3kt9 s THR 66 N 2.45 5.25 0.11 1.26 2.01 -1.26 -1.43 115.64 124.04 3kt9 s THR 66 Ca 0.64 0.54 0.03 0.00 0.31 0.00 0.00 61.69 63.21 3kt9 s THR 66 Cb -0.31 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 3kt9 s THR 66 CO 0.26 0.60 -0.08 -0.94 -0.69 0.00 0.00 174.62 173.77 3kt9 s SER 67 N -1.05 1.32 -0.18 3.53 1.04 -0.93 -0.44 113.70 116.99 3kt9 s SER 67 Ca 0.20 -0.97 0.01 0.00 0.48 0.00 0.00 55.95 55.66 3kt9 s SER 67 Cb -0.14 0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.06 3kt9 s SER 67 CO 0.09 -0.40 -0.17 -0.63 0.98 0.00 0.00 173.24 173.10 3kt9 s ILE 68 N -3.36 1.96 -1.52 -1.02 1.01 -0.08 -0.89 121.20 117.30 3kt9 s ILE 68 Ca 0.12 -0.96 -0.06 0.00 0.00 0.00 0.00 60.65 59.75 3kt9 s ILE 68 Cb 0.03 -1.82 0.05 0.00 0.01 0.00 0.00 42.46 40.73 3kt9 s ILE 68 CO -0.03 0.45 0.48 0.47 0.00 0.00 0.00 174.94 176.31 3kt9 n ASP 69 N 4.63 -1.06 0.00 3.58 10.43 0.25 -1.29 116.55 133.08 3kt9 n ASP 69 Ca -0.19 -1.04 0.00 0.00 2.57 0.00 0.00 54.79 56.12 3kt9 n ASP 69 Cb 0.49 -2.77 0.00 0.00 1.84 0.00 0.00 41.12 40.68 3kt9 n ASP 69 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3kt9 n SER 70 N -2.87 0.00 -4.59 -2.24 3.41 -1.26 -4.99 113.62 101.07 3kt9 n SER 70 Ca -0.19 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.00 3kt9 n SER 70 Cb 0.63 -0.16 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 3kt9 n SER 70 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kt9 s VAL 71 N -2.96 4.77 0.26 -3.33 1.01 -0.41 -4.95 120.40 114.79 3kt9 s VAL 71 Ca 0.00 0.91 -0.30 0.00 0.00 0.00 0.00 61.98 62.59 3kt9 s VAL 71 Cb 0.00 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.11 3kt9 s VAL 71 CO 0.00 -0.37 1.40 -0.69 0.00 0.00 0.00 175.10 175.44 3kt9 s VAL 72 N 3.00 2.74 -0.12 2.92 1.01 -1.26 -0.90 120.40 127.79 3kt9 s VAL 72 Ca 0.30 0.64 -0.14 0.00 0.00 0.00 0.00 61.98 62.79 3kt9 s VAL 72 Cb -0.14 -3.41 -0.13 0.00 0.00 0.00 0.00 36.38 32.71 3kt9 s VAL 72 CO 0.15 0.11 0.38 0.40 0.00 0.00 0.00 175.10 176.15 3kt9 h ILE 73 N 3.47 0.88 0.00 2.22 2.04 -1.12 -3.48 117.51 121.52 3kt9 h ILE 73 Ca -0.46 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 63.74 3kt9 h ILE 73 Cb 1.22 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 3kt9 h ILE 73 CO 0.75 0.30 0.00 0.61 0.00 0.00 0.00 178.15 179.81 3kt9 n GLY 74 N 1.69 1.08 3.72 5.37 0.00 -1.26 -4.68 105.19 111.11 3kt9 n GLY 74 Ca -0.05 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 3kt9 n GLY 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kt9 n LYS 75 N 1.32 2.63 -0.73 1.61 4.81 -1.26 -1.74 118.16 124.79 3kt9 n LYS 75 Ca 0.00 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.38 3kt9 n LYS 75 Cb 0.00 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.32 3kt9 n LYS 75 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3kt9 n ASP 76 N 2.89 0.00 -4.87 3.14 8.00 0.17 -4.97 116.55 120.91 3kt9 n ASP 76 Ca 0.12 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.32 3kt9 n ASP 76 Cb 0.35 -1.27 -0.03 0.00 -0.02 0.00 0.00 41.12 40.14 3kt9 n ASP 76 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3kt9 s GLN 77 N -0.50 3.79 -0.06 -1.24 -1.52 -0.71 -4.88 119.66 114.53 3kt9 s GLN 77 Ca 0.00 0.52 0.02 0.00 -1.95 0.00 0.00 55.36 53.95 3kt9 s GLN 77 Cb 0.00 -2.36 0.01 0.00 -0.22 0.00 0.00 33.01 30.44 3kt9 s GLN 77 CO 0.00 -0.07 -0.12 -2.00 -0.25 0.00 0.00 175.29 172.85 3kt9 s GLU 78 N -3.92 1.65 0.02 2.91 2.12 -1.26 -2.37 118.70 117.86 3kt9 s GLU 78 Ca 0.52 -0.40 0.03 0.00 0.36 0.00 0.00 54.97 55.47 3kt9 s GLU 78 Cb -0.10 -1.37 -0.02 0.00 0.26 0.00 0.00 34.13 32.90 3kt9 s GLU 78 CO 0.32 0.03 -0.08 0.08 -0.54 0.00 0.00 175.26 175.07 3kt9 s VAL 79 N 0.64 0.62 -0.23 3.70 1.01 -0.27 -4.95 120.40 120.92 3kt9 s VAL 79 Ca -0.14 -0.72 -0.25 0.00 0.00 0.00 0.00 61.98 60.87 3kt9 s VAL 79 Cb -0.15 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 3kt9 s VAL 79 CO 0.03 -0.10 0.84 -0.54 0.00 0.00 0.00 175.10 175.33 3kt9 s LYS 80 N -0.90 4.21 -0.11 2.72 1.02 -1.26 -0.42 119.74 124.99 3kt9 s LYS 80 Ca -0.03 0.97 -0.22 0.00 0.02 0.00 0.00 55.97 56.72 3kt9 s LYS 80 Cb -0.06 -3.63 -0.03 0.00 -0.52 0.00 0.00 37.83 33.58 3kt9 s LYS 80 CO 0.00 -0.48 0.64 -1.17 -0.92 0.00 0.00 175.35 173.42 3kt9 s LEU 81 N 2.70 4.26 0.32 3.17 2.96 0.76 -4.91 118.68 127.95 3kt9 s LEU 81 Ca 0.36 1.02 0.10 0.00 -0.22 0.00 0.00 54.13 55.39 3kt9 s LEU 81 Cb -0.16 -2.95 -0.06 0.00 0.50 0.00 0.00 46.19 43.52 3kt9 s LEU 81 CO 0.08 -0.14 -0.12 -1.10 -1.32 0.00 0.00 176.35 173.75 3kt9 s GLN 82 N 1.09 1.77 0.22 1.98 -0.21 -1.26 -1.29 119.66 121.96 3kt9 s GLN 82 Ca 0.33 -1.89 -0.31 0.00 0.02 0.00 0.00 55.36 53.51 3kt9 s GLN 82 Cb -0.17 -1.71 -0.14 0.00 1.00 0.00 0.00 33.01 32.00 3kt9 s GLN 82 CO 0.14 0.19 1.25 -2.30 -2.12 0.00 0.00 175.29 172.45 3kt9 n PRO 83 N -0.74 1.60 0.00 2.91 -0.02 -1.26 -1.83 135.00 135.65 3kt9 n PRO 83 Ca -0.05 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3kt9 n PRO 83 Cb 0.63 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3kt9 n PRO 83 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kt9 n GLY 84 N 1.91 2.82 3.87 -1.23 0.00 -1.26 -5.04 105.19 106.25 3kt9 n GLY 84 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3kt9 n GLY 84 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kt9 s GLN 85 N -0.56 3.86 -0.17 1.61 -0.21 -0.76 -5.08 119.66 118.35 3kt9 s GLN 85 Ca 0.00 0.52 -0.01 0.00 0.02 0.00 0.00 55.36 55.88 3kt9 s GLN 85 Cb 0.00 -2.43 -0.01 0.00 1.00 0.00 0.00 33.01 31.57 3kt9 s GLN 85 CO 0.00 0.07 -0.11 0.08 -2.12 0.00 0.00 175.29 173.21 3kt9 s VAL 86 N -2.17 2.98 -0.24 1.09 1.01 -1.26 -4.64 120.40 117.16 3kt9 s VAL 86 Ca 0.52 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 3kt9 s VAL 86 Cb -0.10 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 3kt9 s VAL 86 CO 0.25 0.49 0.49 -0.22 0.00 0.00 0.00 175.10 176.11 3kt9 s LEU 87 N 0.91 4.08 -0.27 3.92 2.96 0.71 -0.58 118.68 130.40 3kt9 s LEU 87 Ca -0.03 0.53 -0.11 0.00 -0.22 0.00 0.00 54.13 54.30 3kt9 s LEU 87 Cb -0.15 -2.63 -0.05 0.00 0.50 0.00 0.00 46.19 43.86 3kt9 s LEU 87 CO -0.00 -0.23 0.20 -1.00 -1.32 0.00 0.00 176.35 173.99 3kt9 s HIS 88 N 2.05 3.25 0.20 5.38 3.76 -0.06 0.32 115.29 130.19 3kt9 s HIS 88 Ca 0.21 0.18 -0.11 0.00 -0.15 0.00 0.00 55.06 55.19 3kt9 s HIS 88 Cb -0.16 -2.36 0.19 0.00 1.11 0.00 0.00 32.58 31.37 3kt9 s HIS 88 CO 0.09 -0.09 1.81 1.98 -0.85 0.00 0.00 174.74 177.68 3kt9 h MET 89 N 8.08 0.66 -2.12 1.40 4.05 -0.66 -2.47 114.93 123.87 3kt9 h MET 89 Ca -0.36 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 58.97 3kt9 h MET 89 Cb 1.18 -0.15 -0.21 0.00 -0.80 0.00 0.00 31.60 31.63 3kt9 h MET 89 CO 0.59 0.43 0.09 0.54 0.23 0.00 0.00 176.91 178.79 3kt9 s VAL 90 N -6.11 0.00 -1.57 -5.77 0.11 -1.18 -4.25 120.40 101.63 3kt9 s VAL 90 Ca -0.13 -0.02 -0.12 0.00 -2.93 0.00 0.00 61.98 58.79 3kt9 s VAL 90 Cb 0.15 -0.94 0.09 0.00 -1.53 0.00 0.00 36.38 34.16 3kt9 s VAL 90 CO 0.75 -0.01 0.73 0.59 -3.33 0.00 0.00 175.10 173.84 3kt9 n ASN 91 N 2.22 -2.78 -2.19 3.54 3.02 -0.51 -0.67 115.26 117.89 3kt9 n ASN 91 Ca -0.15 -0.95 -0.18 0.00 -0.03 0.00 0.00 54.58 53.27 3kt9 n ASN 91 Cb 0.56 -3.15 -0.03 0.00 -0.61 0.00 0.00 39.78 36.55 3kt9 n ASN 91 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kt9 n GLU 92 N -4.46 -1.76 -4.51 3.52 1.02 -1.26 -4.99 120.64 108.20 3kt9 n GLU 92 Ca -0.05 0.91 -0.25 0.00 -0.02 0.00 0.00 57.16 57.75 3kt9 n GLU 92 Cb 0.56 -5.47 -0.10 0.00 -0.02 0.00 0.00 31.44 26.40 3kt9 n GLU 92 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kt9 s LEU 93 N -5.50 2.67 -0.44 -4.62 1.43 0.15 -4.94 118.68 107.43 3kt9 s LEU 93 Ca 0.00 -1.16 -0.07 0.00 -1.03 0.00 0.00 54.13 51.87 3kt9 s LEU 93 Cb 0.00 -0.97 0.01 0.00 0.03 0.00 0.00 46.19 45.26 3kt9 s LEU 93 CO 0.00 -0.17 0.50 -1.22 0.23 0.00 0.00 176.35 175.69 3kt9 n TYR 94 N -0.72 -2.57 -2.77 0.29 4.01 -1.26 -1.69 117.16 112.45 3kt9 n TYR 94 Ca -0.05 1.01 -0.41 0.00 -0.16 0.00 0.00 57.90 58.29 3kt9 n TYR 94 Cb 0.63 -3.54 -0.04 0.00 -0.31 0.00 0.00 39.34 36.08 3kt9 n TYR 94 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3kt9 s PRO 95 N -2.57 4.58 0.04 -0.72 0.04 -1.26 -1.97 135.00 133.14 3kt9 s PRO 95 Ca 0.11 1.35 0.06 0.00 0.04 0.00 0.00 61.00 62.57 3kt9 s PRO 95 Cb -0.03 -3.43 -0.02 0.00 0.04 0.00 0.00 34.50 31.05 3kt9 s PRO 95 CO 0.60 0.05 -0.18 0.71 0.04 0.00 0.00 177.00 178.22 3kt9 s TYR 96 N 0.67 1.56 0.23 0.56 2.02 0.15 -0.87 117.35 121.67 3kt9 s TYR 96 Ca 0.48 -0.36 0.07 0.00 -0.37 0.00 0.00 57.07 56.90 3kt9 s TYR 96 Cb -0.21 -0.93 -0.05 0.00 -0.40 0.00 0.00 41.96 40.37 3kt9 s TYR 96 CO 0.27 0.07 -0.11 0.96 -1.57 0.00 0.00 175.55 175.17 3kt9 s ILE 97 N -0.80 1.68 -0.04 2.71 -4.36 -0.33 -0.21 121.20 119.84 3kt9 s ILE 97 Ca 0.05 -2.18 0.02 0.00 -0.26 0.00 0.00 60.65 58.29 3kt9 s ILE 97 Cb -0.08 -2.20 -0.03 0.00 1.25 0.00 0.00 42.46 41.40 3kt9 s ILE 97 CO 0.01 -0.48 -0.09 0.68 0.24 0.00 0.00 174.94 175.30 3kt9 s VAL 98 N -3.00 3.50 0.02 8.37 -7.23 -1.26 -0.64 120.40 120.16 3kt9 s VAL 98 Ca 0.25 -0.63 0.04 0.00 -1.81 0.00 0.00 61.98 59.83 3kt9 s VAL 98 Cb 0.01 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 3kt9 s VAL 98 CO 0.09 0.55 -0.11 -1.61 -0.31 0.00 0.00 175.10 173.70 3kt9 s GLU 99 N -0.94 0.80 -0.18 4.82 2.02 -0.30 -4.76 118.70 120.15 3kt9 s GLU 99 Ca 0.13 -0.56 -0.01 0.00 0.02 0.00 0.00 54.97 54.55 3kt9 s GLU 99 Cb -0.11 -0.76 0.01 0.00 0.10 0.00 0.00 34.13 33.37 3kt9 s GLU 99 CO 0.03 0.19 -0.14 -0.06 0.02 0.00 0.00 175.26 175.30 3kt9 s PHE 100 N -0.63 2.83 0.05 1.61 0.08 -1.26 -0.78 117.98 119.87 3kt9 s PHE 100 Ca 0.01 -1.27 0.04 0.00 0.12 0.00 0.00 56.93 55.82 3kt9 s PHE 100 Cb -0.06 -1.96 -0.02 0.00 -0.57 0.00 0.00 43.02 40.40 3kt9 s PHE 100 CO 0.00 -0.64 -0.11 -2.00 -0.10 0.00 0.00 175.22 172.38 3kt9 s GLU 101 N 1.20 0.67 0.00 0.44 2.12 -0.36 -4.93 118.70 117.84 3kt9 s GLU 101 Ca 0.02 -0.80 0.11 0.00 0.36 0.00 0.00 54.97 54.66 3kt9 s GLU 101 Cb -0.14 -0.56 0.66 0.00 0.26 0.00 0.00 34.13 34.35 3kt9 s GLU 101 CO -0.06 0.12 1.10 0.39 -0.54 0.00 0.00 175.26 176.27