#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yj9 s ILE 2 N 0.00 2.00 0.03 -0.61 -4.36 -1.26 -5.12 121.20 111.88 1yj9 s ILE 2 Ca 0.00 -0.01 -0.02 0.00 -0.26 0.00 0.00 60.65 60.36 1yj9 s ILE 2 Cb 0.00 -2.99 -0.02 0.00 1.25 0.00 0.00 42.46 40.70 1yj9 s ILE 2 CO 0.00 0.00 0.02 -0.44 0.24 0.00 0.00 174.94 174.76 1yj9 s SER 3 N -4.84 0.26 -0.12 4.36 0.01 -1.26 -5.10 113.70 107.01 1yj9 s SER 3 Ca 0.72 -0.59 -0.30 0.00 1.31 0.00 0.00 55.95 57.08 1yj9 s SER 3 Cb -0.05 0.17 -0.08 0.00 0.21 0.00 0.00 66.02 66.27 1yj9 s SER 3 CO 0.52 -0.43 2.08 -1.22 0.41 0.00 0.00 173.24 174.60 1yj9 n TYR 4 N 1.02 2.19 0.25 2.43 4.02 -1.26 -4.83 117.16 120.98 1yj9 n TYR 4 Ca -0.20 -0.17 0.14 0.00 -0.01 0.00 0.00 57.90 57.65 1yj9 n TYR 4 Cb 0.57 -2.73 0.56 0.00 -0.02 0.00 0.00 39.34 37.72 1yj9 n TYR 4 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1yj9 h SER 5 N 12.42 0.00 -2.23 7.72 4.64 -2.02 -3.44 113.55 130.64 1yj9 h SER 5 Ca -0.44 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.35 1yj9 h SER 5 Cb 1.25 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.27 1yj9 h SER 5 CO 0.96 0.09 -0.57 -0.69 -0.87 0.00 0.00 176.83 175.74 1yj9 s VAL 6 N -3.62 4.08 -0.14 0.95 1.01 -1.26 -5.12 120.40 116.30 1yj9 s VAL 6 Ca 0.01 -1.58 -0.04 0.00 0.00 0.00 0.00 61.98 60.38 1yj9 s VAL 6 Cb 0.09 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1yj9 s VAL 6 CO 0.59 -0.35 -0.01 -1.61 0.00 0.00 0.00 175.10 173.73 1yj9 s GLU 7 N -3.74 3.52 0.46 2.72 2.02 -1.26 -5.11 118.70 117.30 1yj9 s GLU 7 Ca 0.32 -0.45 0.05 0.00 0.02 0.00 0.00 54.97 54.91 1yj9 s GLU 7 Cb -0.07 -2.94 -0.04 0.00 0.10 0.00 0.00 34.13 31.18 1yj9 s GLU 7 CO 0.23 0.40 0.11 0.00 0.02 0.00 0.00 175.26 176.01 1yj9 s ALA 8 N -0.04 3.75 -0.31 5.21 0.00 -1.26 -5.12 121.76 124.00 1yj9 s ALA 8 Ca 0.03 -1.51 0.03 0.00 0.00 0.00 0.00 51.96 50.51 1yj9 s ALA 8 Cb -0.13 -0.14 0.08 0.00 0.00 0.00 0.00 23.12 22.93 1yj9 s ALA 8 CO 0.02 -0.14 -0.01 0.34 0.00 0.00 0.00 175.76 175.97 1yj9 s ASP 9 N -3.89 4.58 0.49 0.00 -1.08 -1.26 -5.01 116.67 110.49 1yj9 s ASP 9 Ca 0.27 -1.82 0.40 0.00 -0.52 0.00 0.00 52.55 50.88 1yj9 s ASP 9 Cb 0.04 -1.54 1.59 0.00 -1.46 0.00 0.00 42.92 41.55 1yj9 s ASP 9 CO 0.15 -0.31 1.55 -0.81 0.52 0.00 0.00 175.17 176.27 1yj9 n PRO 10 N 4.36 -0.02 0.23 4.34 -0.04 -1.26 -0.29 135.00 142.32 1yj9 n PRO 10 Ca -0.03 1.17 0.11 0.00 -0.04 0.00 0.00 63.50 64.71 1yj9 n PRO 10 Cb 0.42 -2.46 0.49 0.00 -0.04 0.00 0.00 33.50 31.91 1yj9 n PRO 10 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1yj9 h ASP 11 N 0.00 0.00 -0.69 3.54 3.32 -2.02 -3.30 116.42 117.27 1yj9 h ASP 11 Ca 0.90 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 57.64 1yj9 h ASP 11 Cb 3.24 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 42.39 1yj9 h ASP 11 CO -0.26 0.18 -1.12 0.35 -1.72 0.00 0.00 179.24 176.67 1yj9 n THR 12 N -3.35 1.27 -3.61 0.35 -2.24 0.61 -5.06 114.28 102.25 1yj9 n THR 12 Ca 0.00 -3.10 -0.07 0.00 -2.27 0.00 0.00 64.05 58.61 1yj9 n THR 12 Cb 0.41 0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 69.45 1yj9 n THR 12 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1yj9 s THR 13 N -3.65 0.00 0.27 4.28 -1.32 -1.02 -2.92 115.64 111.27 1yj9 s THR 13 Ca 0.29 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.88 1yj9 s THR 13 Cb 0.38 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 70.32 1yj9 s THR 13 CO -0.01 0.00 -0.15 0.00 -2.21 0.00 0.00 174.62 172.25 1yj9 s ALA 14 N -0.63 2.86 0.18 11.08 0.00 0.21 -4.59 121.76 130.87 1yj9 s ALA 14 Ca 0.03 -1.81 0.05 0.00 0.00 0.00 0.00 51.96 50.23 1yj9 s ALA 14 Cb -0.02 -0.41 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 1yj9 s ALA 14 CO -0.05 0.28 -0.09 0.15 0.00 0.00 0.00 175.76 176.06 1yj9 s LYS 15 N -3.53 1.17 -0.28 0.00 1.02 -1.26 -0.38 119.74 116.48 1yj9 s LYS 15 Ca 0.30 -1.53 -0.25 0.00 0.02 0.00 0.00 55.97 54.51 1yj9 s LYS 15 Cb -0.05 -0.71 0.12 0.00 -0.52 0.00 0.00 37.83 36.66 1yj9 s LYS 15 CO 0.16 0.05 1.02 0.00 -0.92 0.00 0.00 175.35 175.67 1yj9 s ALA 16 N -3.28 -1.96 0.07 5.17 0.00 -0.41 -4.63 121.76 116.71 1yj9 s ALA 16 Ca 0.20 1.87 0.01 0.00 0.00 0.00 0.00 51.96 54.05 1yj9 s ALA 16 Cb 0.03 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 1yj9 s ALA 16 CO 0.03 -0.24 -0.06 -1.64 0.00 0.00 0.00 175.76 173.85 1yj9 s MET 17 N 0.18 0.66 -0.02 0.00 -1.94 -1.26 -0.63 119.30 116.29 1yj9 s MET 17 Ca 0.03 -1.09 0.07 0.00 -1.71 0.00 0.00 55.69 52.99 1yj9 s MET 17 Cb -0.05 -0.12 -0.02 0.00 2.01 0.00 0.00 34.83 36.66 1yj9 s MET 17 CO -0.06 -0.02 -0.24 -0.51 -0.01 0.00 0.00 175.02 174.19 1yj9 s LEU 18 N -2.48 2.04 0.08 -0.03 1.43 -0.50 -4.96 118.68 114.26 1yj9 s LEU 18 Ca 0.02 -0.43 0.10 0.00 -1.03 0.00 0.00 54.13 52.79 1yj9 s LEU 18 Cb 0.00 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 1yj9 s LEU 18 CO -0.04 0.29 -0.26 -0.13 0.23 0.00 0.00 176.35 176.44 1yj9 s ARG 19 N -0.53 1.56 -0.85 1.70 1.81 -1.26 -2.05 118.95 119.34 1yj9 s ARG 19 Ca 0.08 -1.18 -0.09 0.00 -1.72 0.00 0.00 55.73 52.82 1yj9 s ARG 19 Cb -0.09 -1.85 0.09 0.00 -0.45 0.00 0.00 34.95 32.65 1yj9 s ARG 19 CO -0.01 0.46 0.23 0.39 -0.68 0.00 0.00 175.30 175.70 1yj9 n GLU 20 N 1.43 -0.88 -2.39 3.54 1.02 -0.97 -4.85 120.64 117.54 1yj9 n GLU 20 Ca -0.17 0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.61 1yj9 n GLU 20 Cb 0.53 -2.09 -0.03 0.00 -0.02 0.00 0.00 31.44 29.82 1yj9 n GLU 20 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1yj9 s ARG 21 N -4.07 4.44 -0.62 3.49 1.81 0.98 -4.61 118.95 120.37 1yj9 s ARG 21 Ca 0.33 1.82 -0.21 0.00 -1.72 0.00 0.00 55.73 55.95 1yj9 s ARG 21 Cb -0.19 -3.31 0.08 0.00 -0.45 0.00 0.00 34.95 31.08 1yj9 s ARG 21 CO 0.47 -0.22 0.87 -0.65 -0.68 0.00 0.00 175.30 175.09 1yj9 s GLN 22 N 0.69 3.11 0.01 3.54 -0.21 -1.26 0.39 119.66 125.92 1yj9 s GLN 22 Ca 0.57 -0.94 -0.28 0.00 0.02 0.00 0.00 55.36 54.74 1yj9 s GLN 22 Cb -0.31 -4.22 0.10 0.00 1.00 0.00 0.00 33.01 29.58 1yj9 s GLN 22 CO 0.31 -1.68 0.82 0.00 -2.12 0.00 0.00 175.29 172.63 1yj9 s MET 23 N 3.57 0.91 -0.03 2.91 0.23 -1.21 -5.02 119.30 120.64 1yj9 s MET 23 Ca 0.19 -0.23 -0.37 0.00 -1.03 0.00 0.00 55.69 54.25 1yj9 s MET 23 Cb -0.19 0.42 -0.15 0.00 -1.53 0.00 0.00 34.83 33.38 1yj9 s MET 23 CO 0.10 -0.38 1.61 0.45 -2.03 0.00 0.00 175.02 174.77 1yj9 n SER 24 N -0.06 2.52 0.11 -1.18 2.88 -1.26 -4.62 113.62 112.01 1yj9 n SER 24 Ca -0.11 1.07 -0.03 0.00 -1.33 0.00 0.00 58.87 58.47 1yj9 n SER 24 Cb 0.62 -1.26 0.06 0.00 -0.75 0.00 0.00 64.21 62.88 1yj9 n SER 24 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1yj9 h PHE 25 N 6.51 0.00 -0.13 0.66 3.57 -1.96 -3.09 116.94 122.50 1yj9 h PHE 25 Ca -0.47 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 60.91 1yj9 h PHE 25 Cb 1.30 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 1yj9 h PHE 25 CO 0.71 0.74 -0.47 0.87 -2.23 0.00 0.00 178.31 177.93 1yj9 h LYS 26 N 0.00 0.31 -0.25 1.11 1.57 -2.01 -2.57 116.57 114.73 1yj9 h LYS 26 Ca -0.01 -0.17 -0.17 0.00 -1.87 0.00 0.00 60.65 58.44 1yj9 h LYS 26 Cb 1.36 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.67 1yj9 h LYS 26 CO 0.10 0.72 -0.51 0.45 -0.57 0.00 0.00 179.45 179.63 1yj9 h HIS 27 N 0.25 0.89 0.15 -1.35 3.86 -1.94 -3.13 115.15 113.89 1yj9 h HIS 27 Ca 0.02 -0.30 -0.01 0.00 -1.16 0.00 0.00 60.37 58.91 1yj9 h HIS 27 Cb 0.93 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.22 1yj9 h HIS 27 CO 0.02 1.08 -0.07 0.77 0.86 0.00 0.00 177.93 180.59 1yj9 h SER 28 N 0.56 -0.18 -0.90 2.45 0.02 -1.44 -1.22 113.55 112.85 1yj9 h SER 28 Ca 0.02 -0.08 0.25 0.00 -0.84 0.00 0.00 61.79 61.14 1yj9 h SER 28 Cb 1.08 0.05 -0.14 0.00 0.14 0.00 0.00 62.40 63.52 1yj9 h SER 28 CO 0.11 -0.03 0.28 0.11 -1.14 0.00 0.00 176.83 176.15 1yj9 h LYS 29 N -0.31 0.21 0.56 3.45 1.57 -1.47 0.69 116.57 121.27 1yj9 h LYS 29 Ca -0.02 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1yj9 h LYS 29 Cb 0.24 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.51 1yj9 h LYS 29 CO 0.03 0.14 -0.27 0.00 -0.57 0.00 0.00 179.45 178.78 1yj9 h ALA 30 N 1.80 -0.75 -0.03 3.86 0.00 -1.40 -1.38 119.26 121.35 1yj9 h ALA 30 Ca 0.58 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.33 1yj9 h ALA 30 Cb 1.20 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 19.24 1yj9 h ALA 30 CO -0.66 -0.83 -0.24 0.82 0.00 0.00 0.00 179.25 178.34 1yj9 h ILE 31 N -0.95 0.44 -0.01 0.00 2.04 -0.17 0.35 117.51 119.21 1yj9 h ILE 31 Ca -0.08 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.79 1yj9 h ILE 31 Cb 0.64 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1yj9 h ILE 31 CO 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 178.15 178.06 1yj9 h ALA 32 N 0.50 -0.66 -0.99 1.87 0.00 -0.95 0.38 119.26 119.41 1yj9 h ALA 32 Ca 0.07 -0.03 0.28 0.00 0.00 0.00 0.00 54.91 55.22 1yj9 h ALA 32 Cb 0.46 0.70 -0.18 0.00 0.00 0.00 0.00 17.79 18.77 1yj9 h ALA 32 CO -0.24 -0.73 0.05 -0.09 0.00 0.00 0.00 179.25 178.24 1yj9 h ARG 33 N -0.26 0.01 -0.33 0.00 2.43 -0.96 -0.43 114.38 114.84 1yj9 h ARG 33 Ca 0.01 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1yj9 h ARG 33 Cb 0.28 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1yj9 h ARG 33 CO -0.15 0.01 -0.04 1.49 -1.51 0.00 0.00 179.97 179.77 1yj9 h GLU 34 N 0.01 0.61 -0.01 0.20 4.57 0.17 -3.29 114.58 116.84 1yj9 h GLU 34 Ca 0.61 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 58.57 1yj9 h GLU 34 Cb 1.27 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1yj9 h GLU 34 CO -0.91 0.76 -0.19 0.44 -1.18 0.00 0.00 179.01 177.93 1yj9 n ILE 35 N -4.49 0.00 -2.06 2.32 -5.35 0.11 -4.89 119.36 105.01 1yj9 n ILE 35 Ca -0.02 -0.14 -0.41 0.00 -0.27 0.00 0.00 62.75 61.91 1yj9 n ILE 35 Cb 0.30 0.32 -0.02 0.00 -1.74 0.00 0.00 39.64 38.50 1yj9 n ILE 35 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1yj9 s LYS 36 N -2.41 4.30 0.00 6.28 2.20 -0.63 -2.05 119.74 127.44 1yj9 s LYS 36 Ca 0.28 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 58.15 1yj9 s LYS 36 Cb 0.20 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.43 1yj9 s LYS 36 CO 0.48 -0.31 0.00 0.41 -0.36 0.00 0.00 175.35 175.57 1yj9 n GLY 37 N 1.40 2.85 3.91 5.54 0.00 -0.89 -5.03 105.19 112.98 1yj9 n GLY 37 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1yj9 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yj9 s LYS 38 N -0.57 1.51 -0.08 1.61 1.02 -0.87 -4.69 119.74 117.67 1yj9 s LYS 38 Ca 0.00 -0.12 -0.13 0.00 0.02 0.00 0.00 55.97 55.74 1yj9 s LYS 38 Cb 0.00 -1.94 -0.05 0.00 -0.52 0.00 0.00 37.83 35.33 1yj9 s LYS 38 CO 0.00 -1.86 0.32 0.99 -0.92 0.00 0.00 175.35 173.88 1yj9 s THR 39 N -3.66 5.22 0.24 2.17 2.01 -1.26 -1.31 115.64 119.05 1yj9 s THR 39 Ca 0.66 0.63 0.04 0.00 0.31 0.00 0.00 61.69 63.33 1yj9 s THR 39 Cb -0.08 -3.63 0.31 0.00 0.01 0.00 0.00 72.50 69.11 1yj9 s THR 39 CO 0.50 0.52 1.20 0.00 -0.69 0.00 0.00 174.62 176.15 1yj9 n ALA 40 N 2.44 0.45 -0.10 7.40 0.00 -0.10 0.11 120.51 130.71 1yj9 n ALA 40 Ca -0.14 0.81 -0.13 0.00 0.00 0.00 0.00 53.44 53.98 1yj9 n ALA 40 Cb 0.53 -0.63 -0.04 0.00 0.00 0.00 0.00 19.45 19.31 1yj9 n ALA 40 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1yj9 h GLY 41 N 0.00 0.80 1.01 0.00 0.00 -1.52 -2.04 103.07 101.32 1yj9 h GLY 41 Ca 0.49 -0.81 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1yj9 h GLY 41 CO -0.70 0.73 0.52 0.83 0.00 0.00 0.00 176.54 177.92 1yj9 h GLU 42 N 0.49 1.15 -0.05 4.80 5.08 0.58 -1.59 114.58 125.03 1yj9 h GLU 42 Ca 0.05 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1yj9 h GLU 42 Cb 0.86 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1yj9 h GLU 42 CO 0.07 0.80 0.01 0.00 -1.00 0.00 0.00 179.01 178.89 1yj9 h ALA 43 N 1.28 0.05 0.11 3.43 0.00 -0.54 0.43 119.26 124.02 1yj9 h ALA 43 Ca 0.31 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.24 1yj9 h ALA 43 Cb -0.06 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1yj9 h ALA 43 CO -0.06 -0.47 -0.21 0.28 0.00 0.00 0.00 179.25 178.79 1yj9 h VAL 44 N 0.03 0.53 -0.77 0.00 2.07 -0.90 0.43 116.25 117.64 1yj9 h VAL 44 Ca 0.02 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.62 1yj9 h VAL 44 Cb 0.02 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 30.26 1yj9 h VAL 44 CO -0.03 0.00 0.44 0.44 0.02 0.00 0.00 177.57 178.44 1yj9 h ASP 45 N -0.39 0.63 0.47 0.57 3.32 -1.16 -0.60 116.42 119.26 1yj9 h ASP 45 Ca 0.03 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1yj9 h ASP 45 Cb 0.41 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1yj9 h ASP 45 CO -0.12 0.38 -0.25 0.22 -1.72 0.00 0.00 179.24 177.75 1yj9 h TYR 46 N 0.76 -0.67 -0.99 4.55 3.20 -0.15 -2.21 116.97 121.46 1yj9 h TYR 46 Ca 0.36 -0.01 0.25 0.00 3.14 0.00 0.00 58.73 62.47 1yj9 h TYR 46 Cb 0.30 0.23 -0.07 0.00 1.54 0.00 0.00 36.73 38.72 1yj9 h TYR 46 CO -0.07 -0.39 0.65 -0.07 -1.64 0.00 0.00 178.16 176.64 1yj9 h LEU 47 N -0.67 0.36 -0.62 2.82 3.38 0.11 0.20 115.31 120.91 1yj9 h LEU 47 Ca -0.06 0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1yj9 h LEU 47 Cb 0.52 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1yj9 h LEU 47 CO 0.09 0.11 -0.67 -0.33 0.09 0.00 0.00 178.44 177.73 1yj9 h GLU 48 N 0.34 0.13 0.00 1.13 5.08 -1.01 -0.93 114.58 119.32 1yj9 h GLU 48 Ca 0.53 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.68 1yj9 h GLU 48 Cb 1.44 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.70 1yj9 h GLU 48 CO -0.20 0.74 -0.50 0.00 -1.00 0.00 0.00 179.01 178.05 1yj9 h ALA 49 N 1.23 0.91 -0.02 3.43 0.00 -0.03 -2.13 119.26 122.65 1yj9 h ALA 49 Ca -0.01 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1yj9 h ALA 49 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1yj9 h ALA 49 CO 0.10 0.63 -0.06 0.28 0.00 0.00 0.00 179.25 180.19 1yj9 h VAL 50 N 0.00 1.49 -0.06 0.00 2.07 -0.72 0.07 116.25 119.10 1yj9 h VAL 50 Ca -0.01 -1.54 0.02 0.00 0.82 0.00 0.00 66.70 65.99 1yj9 h VAL 50 Cb 1.06 2.48 -0.00 0.00 -1.52 0.00 0.00 31.29 33.32 1yj9 h VAL 50 CO 0.07 0.41 0.17 0.40 0.02 0.00 0.00 177.57 178.64 1yj9 h ILE 51 N -0.54 0.17 0.15 4.57 2.04 -1.06 0.26 117.51 123.10 1yj9 h ILE 51 Ca -0.00 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.60 1yj9 h ILE 51 Cb 0.70 0.84 0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1yj9 h ILE 51 CO 0.01 0.00 -1.20 -0.08 0.00 0.00 0.00 178.15 176.88 1yj9 h GLU 52 N 0.00 0.31 0.00 2.37 4.57 -1.06 -3.48 114.58 117.30 1yj9 h GLU 52 Ca 0.03 -0.54 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1yj9 h GLU 52 Cb 0.37 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1yj9 h GLU 52 CO -0.00 1.26 0.00 0.41 -1.18 0.00 0.00 179.01 179.50 1yj9 n GLY 53 N 1.72 1.10 0.11 1.92 0.00 0.08 -4.96 105.19 105.15 1yj9 n GLY 53 Ca -0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.94 1yj9 n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yj9 h ASP 54 N 0.00 0.00 -3.38 1.61 3.32 -1.48 -3.45 116.42 113.04 1yj9 h ASP 54 Ca 0.00 -0.07 -0.47 0.00 0.02 0.00 0.00 57.03 56.51 1yj9 h ASP 54 Cb 0.00 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 39.20 1yj9 h ASP 54 CO 0.00 0.03 -0.79 -1.58 -1.72 0.00 0.00 179.24 175.18 1yj9 s GLN 55 N -3.30 1.29 -0.04 3.56 2.00 -1.04 -4.99 119.66 117.14 1yj9 s GLN 55 Ca 0.02 -0.24 -0.07 0.00 -2.00 0.00 0.00 55.36 53.07 1yj9 s GLN 55 Cb 0.10 -1.21 -0.04 0.00 0.80 0.00 0.00 33.01 32.66 1yj9 s GLN 55 CO 0.76 -0.09 0.22 -1.25 -0.50 0.00 0.00 175.29 174.44 1yj9 s PRO 56 N 1.03 3.54 -0.27 1.67 0.04 -1.26 -4.02 135.00 135.73 1yj9 s PRO 56 Ca -0.08 -0.09 -0.19 0.00 0.04 0.00 0.00 61.00 60.68 1yj9 s PRO 56 Cb -0.14 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 1yj9 s PRO 56 CO -0.00 0.70 0.58 0.08 0.04 0.00 0.00 177.00 178.40 1yj9 s VAL 57 N -1.19 5.01 0.02 -0.36 1.01 0.75 -4.86 120.40 120.79 1yj9 s VAL 57 Ca 0.23 0.96 -0.31 0.00 0.00 0.00 0.00 61.98 62.86 1yj9 s VAL 57 Cb -0.13 -3.91 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 1yj9 s VAL 57 CO 0.12 0.01 1.95 -2.65 0.00 0.00 0.00 175.10 174.53 1yj9 n PRO 58 N 5.68 2.77 -3.33 2.72 -0.02 -1.26 -1.78 135.00 139.77 1yj9 n PRO 58 Ca -0.02 1.01 -0.46 0.00 -2.02 0.00 0.00 63.50 62.02 1yj9 n PRO 58 Cb 0.49 -2.95 -0.06 0.00 -0.02 0.00 0.00 33.50 30.96 1yj9 n PRO 58 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1yj9 s PHE 59 N 4.29 3.24 -0.16 6.00 2.99 -0.60 -4.86 117.98 128.88 1yj9 s PHE 59 Ca 0.89 -1.18 0.17 0.00 0.00 0.00 0.00 56.93 56.81 1yj9 s PHE 59 Cb -0.48 -3.63 -0.25 0.00 0.00 0.00 0.00 43.02 38.67 1yj9 s PHE 59 CO 0.43 -0.96 0.23 1.63 -0.00 0.00 0.00 175.22 176.54 1yj9 n LYS 60 N 5.26 0.67 -0.11 0.44 5.02 -1.26 -4.56 118.16 123.62 1yj9 n LYS 60 Ca -0.13 0.06 -0.20 0.00 -2.02 0.00 0.00 58.31 56.01 1yj9 n LYS 60 Cb 0.41 -1.59 -0.07 0.00 -0.02 0.00 0.00 35.03 33.77 1yj9 n LYS 60 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1yj9 n GLN 61 N -2.81 0.52 -3.17 1.97 7.27 -1.26 -4.74 117.38 115.16 1yj9 n GLN 61 Ca -0.28 0.22 -0.45 0.00 0.07 0.00 0.00 57.00 56.56 1yj9 n GLN 61 Cb 1.12 -1.38 -0.00 0.00 2.41 0.00 0.00 30.24 32.39 1yj9 n GLN 61 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 1yj9 s HIS 62 N -2.60 3.94 -0.01 3.69 3.76 -1.26 -4.68 115.29 118.14 1yj9 s HIS 62 Ca -0.32 -2.45 0.01 0.00 -0.15 0.00 0.00 55.06 52.15 1yj9 s HIS 62 Cb 0.10 -4.05 0.02 0.00 1.11 0.00 0.00 32.58 29.76 1yj9 s HIS 62 CO 0.43 -1.15 0.85 0.27 -0.85 0.00 0.00 174.74 174.29 1yj9 n ASN 63 N 3.98 1.31 -4.67 1.40 6.94 -1.26 -4.91 115.26 118.07 1yj9 n ASN 63 Ca 0.29 -1.75 -0.42 0.00 -0.02 0.00 0.00 54.58 52.69 1yj9 n ASN 63 Cb 0.41 -0.03 -0.03 0.00 -2.36 0.00 0.00 39.78 37.77 1yj9 n ASN 63 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1yj9 s SER 64 N -0.79 6.49 0.00 0.53 1.04 -1.26 -1.57 113.70 118.13 1yj9 s SER 64 Ca 0.02 2.61 0.00 0.00 0.48 0.00 0.00 55.95 59.06 1yj9 s SER 64 Cb 0.02 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.60 1yj9 s SER 64 CO 0.00 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.81 1yj9 n GLY 65 N 4.42 2.15 3.71 7.32 0.00 -1.26 -5.01 105.19 116.51 1yj9 n GLY 65 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1yj9 n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yj9 s VAL 66 N -2.82 3.91 0.40 1.61 1.01 -0.61 -5.00 120.40 118.90 1yj9 s VAL 66 Ca 0.00 1.36 -0.24 0.00 0.00 0.00 0.00 61.98 63.10 1yj9 s VAL 66 Cb 0.00 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 1yj9 s VAL 66 CO 0.00 0.10 1.09 -0.83 0.00 0.00 0.00 175.10 175.46 1yj9 s GLY 67 N 1.11 2.78 0.34 4.51 0.00 -1.26 -4.82 107.32 109.98 1yj9 s GLY 67 Ca 0.60 0.79 -0.29 0.00 0.00 0.00 0.00 44.72 45.83 1yj9 s GLY 67 CO 0.29 1.25 1.37 0.30 0.00 0.00 0.00 173.10 176.31 1yj9 s HIS 68 N -1.58 2.90 -0.16 1.90 0.09 -1.26 -3.92 115.29 113.27 1yj9 s HIS 68 Ca 0.58 1.32 0.00 0.00 -0.00 0.00 0.00 55.06 56.96 1yj9 s HIS 68 Cb -0.25 -3.79 -0.00 0.00 -0.00 0.00 0.00 32.58 28.54 1yj9 s HIS 68 CO 0.31 -2.25 -0.15 0.15 -0.00 0.00 0.00 174.74 172.80 1yj9 s LYS 69 N -1.82 3.21 0.51 1.40 -0.14 0.13 -4.94 119.74 118.10 1yj9 s LYS 69 Ca 0.51 -0.75 0.19 0.00 -1.36 0.00 0.00 55.97 54.56 1yj9 s LYS 69 Cb -0.42 -2.64 1.32 0.00 -1.68 0.00 0.00 37.83 34.40 1yj9 s LYS 69 CO 0.56 -0.01 2.12 0.66 -0.76 0.00 0.00 175.35 177.91 1yj9 h SER 70 N 7.40 0.00 0.84 2.83 4.64 -1.96 -2.49 113.55 124.80 1yj9 h SER 70 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1yj9 h SER 70 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1yj9 h SER 70 CO 0.58 0.06 0.00 0.29 -0.87 0.00 0.00 176.83 176.89 1yj9 n LYS 71 N -4.26 0.07 -2.48 4.77 5.02 -1.26 -4.74 118.16 115.28 1yj9 n LYS 71 Ca -0.03 0.19 -0.42 0.00 -2.02 0.00 0.00 58.31 56.03 1yj9 n LYS 71 Cb 0.15 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 1yj9 n LYS 71 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yj9 s VAL 72 N -3.06 4.30 -0.23 -0.18 1.01 -0.94 -4.97 120.40 116.32 1yj9 s VAL 72 Ca 0.09 1.62 -0.10 0.00 0.00 0.00 0.00 61.98 63.59 1yj9 s VAL 72 Cb 0.13 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1yj9 s VAL 72 CO 0.42 0.00 0.14 -0.62 0.00 0.00 0.00 175.10 175.04 1yj9 s ASP 73 N 1.44 6.00 0.00 3.32 2.15 -1.26 -4.17 116.67 124.15 1yj9 s ASP 73 Ca 0.55 0.09 0.00 0.00 0.43 0.00 0.00 52.55 53.62 1yj9 s ASP 73 Cb -0.24 -2.08 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 1yj9 s ASP 73 CO 0.22 0.07 0.00 0.61 -0.17 0.00 0.00 175.17 175.90 1yj9 n GLY 74 N 4.22 2.47 2.43 2.66 0.00 -1.26 -4.95 105.19 110.75 1yj9 n GLY 74 Ca -0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 1yj9 n GLY 74 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1yj9 n TRP 75 N -2.00 -0.20 0.00 1.61 -0.00 -1.26 -5.11 117.44 110.48 1yj9 n TRP 75 Ca 0.00 -1.99 0.00 0.00 -0.00 0.00 0.00 57.50 55.51 1yj9 n TRP 75 Cb 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 31.31 31.40 1yj9 n TRP 75 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1yj9 n ASP 76 N -1.83 0.63 -4.87 5.87 5.68 -1.26 -4.72 116.55 116.05 1yj9 n ASP 76 Ca 0.00 0.00 -0.33 0.00 -0.50 0.00 0.00 54.79 53.96 1yj9 n ASP 76 Cb 0.45 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.38 1yj9 n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1yj9 s ALA 77 N -1.92 3.62 -0.17 2.12 0.00 -1.26 0.20 121.76 124.35 1yj9 s ALA 77 Ca 0.00 -0.30 -0.35 0.00 0.00 0.00 0.00 51.96 51.31 1yj9 s ALA 77 Cb 0.00 -2.38 0.14 0.00 0.00 0.00 0.00 23.12 20.88 1yj9 s ALA 77 CO 0.00 0.53 1.31 0.20 0.00 0.00 0.00 175.76 177.80 1yj9 s GLY 78 N -2.15 -0.32 0.00 0.00 0.00 -1.25 -1.56 107.32 102.04 1yj9 s GLY 78 Ca 0.42 1.43 0.00 0.00 0.00 0.00 0.00 44.72 46.57 1yj9 s GLY 78 CO 0.21 0.43 0.00 0.54 0.00 0.00 0.00 173.10 174.28 1yj9 n ARG 79 N -0.20 0.00 -3.40 2.90 1.74 -0.73 -4.72 116.66 112.24 1yj9 n ARG 79 Ca -0.01 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.80 1yj9 n ARG 79 Cb 0.59 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.95 1yj9 n ARG 79 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1yj9 n TYR 80 N 0.00 2.39 -1.77 -1.55 4.02 -1.26 -0.18 117.16 118.81 1yj9 n TYR 80 Ca 0.00 -3.98 -0.19 0.00 -0.01 0.00 0.00 57.90 53.72 1yj9 n TYR 80 Cb 0.00 -0.48 -0.07 0.00 -0.02 0.00 0.00 39.34 38.77 1yj9 n TYR 80 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1yj9 s PRO 81 N -1.95 1.86 0.39 -0.72 0.02 -1.26 -4.78 135.00 128.56 1yj9 s PRO 81 Ca 0.37 -0.16 0.21 0.00 0.02 0.00 0.00 61.00 61.44 1yj9 s PRO 81 Cb 0.13 -4.97 0.61 0.00 0.02 0.00 0.00 34.50 30.30 1yj9 s PRO 81 CO -0.06 -4.38 1.69 1.05 -0.33 0.00 0.00 177.00 174.97 1yj9 h GLU 82 N 11.66 0.00 0.16 5.54 4.11 -1.92 -0.96 114.58 133.17 1yj9 h GLU 82 Ca 0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.48 1yj9 h GLU 82 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1yj9 h GLU 82 CO 1.09 0.30 -0.08 -0.22 0.07 0.00 0.00 179.01 180.17 1yj9 h LYS 83 N 0.00 -0.21 -0.60 1.06 3.64 -2.00 -1.68 116.57 116.79 1yj9 h LYS 83 Ca -0.00 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.49 1yj9 h LYS 83 Cb 0.96 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.79 1yj9 h LYS 83 CO 0.04 0.11 0.40 0.00 -2.27 0.00 0.00 179.45 177.73 1yj9 h ALA 84 N -0.66 2.00 -0.25 5.00 0.00 -1.93 -1.96 119.26 121.45 1yj9 h ALA 84 Ca -0.02 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1yj9 h ALA 84 Cb 0.41 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1yj9 h ALA 84 CO 0.04 -0.13 -0.40 0.77 0.00 0.00 0.00 179.25 179.52 1yj9 h SER 85 N 0.42 0.79 -0.19 0.00 0.02 -1.18 -2.45 113.55 110.97 1yj9 h SER 85 Ca 0.28 -0.52 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1yj9 h SER 85 Cb 0.53 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1yj9 h SER 85 CO -0.08 1.16 0.12 0.11 -1.14 0.00 0.00 176.83 177.01 1yj9 h LYS 86 N 0.45 0.26 0.00 3.45 1.57 -0.57 -1.15 116.57 120.58 1yj9 h LYS 86 Ca 0.02 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1yj9 h LYS 86 Cb 1.00 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 1yj9 h LYS 86 CO 0.09 0.18 -0.58 0.00 -0.57 0.00 0.00 179.45 178.58 1yj9 h ALA 87 N 1.87 0.77 0.00 3.86 0.00 -1.19 -2.89 119.26 121.68 1yj9 h ALA 87 Ca 0.07 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 1yj9 h ALA 87 Cb -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1yj9 h ALA 87 CO -0.01 0.72 -0.72 0.74 0.00 0.00 0.00 179.25 179.98 1yj9 h PHE 88 N 0.00 0.00 -0.18 0.00 -1.00 -0.76 -2.45 116.94 112.55 1yj9 h PHE 88 Ca -0.01 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.70 1yj9 h PHE 88 Cb 1.24 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.79 1yj9 h PHE 88 CO 0.00 0.72 -0.20 -0.07 -1.61 0.00 0.00 178.31 177.14 1yj9 h LEU 89 N 0.00 0.30 -0.26 1.54 3.38 -1.17 0.56 115.31 119.66 1yj9 h LEU 89 Ca -0.01 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1yj9 h LEU 89 Cb 1.35 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1yj9 h LEU 89 CO 0.09 0.52 -0.16 0.44 0.09 0.00 0.00 178.44 179.42 1yj9 h ASP 90 N 0.28 0.59 -0.96 -0.43 5.19 -1.31 0.28 116.42 120.06 1yj9 h ASP 90 Ca 0.05 -0.43 0.01 0.00 -0.62 0.00 0.00 57.03 56.04 1yj9 h ASP 90 Cb 0.52 -0.16 -0.05 0.00 0.18 0.00 0.00 39.33 39.82 1yj9 h ASP 90 CO 0.03 0.89 0.64 0.25 -3.12 0.00 0.00 179.24 177.93 1yj9 h LEU 91 N 0.29 1.10 -0.08 1.55 5.85 -0.94 -1.76 115.31 121.32 1yj9 h LEU 91 Ca 0.05 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1yj9 h LEU 91 Cb 0.68 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1yj9 h LEU 91 CO 0.04 0.80 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.79 1yj9 h LEU 92 N 1.30 0.21 -1.31 2.25 3.38 -0.60 0.54 115.31 121.07 1yj9 h LEU 92 Ca 0.35 -0.48 0.22 0.00 0.09 0.00 0.00 57.88 58.06 1yj9 h LEU 92 Cb -0.15 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.46 1yj9 h LEU 92 CO -0.08 0.65 0.63 -0.08 0.09 0.00 0.00 178.44 179.64 1yj9 h GLU 93 N -0.23 0.50 0.00 1.13 4.81 -0.21 0.31 114.58 120.89 1yj9 h GLU 93 Ca 0.01 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 1yj9 h GLU 93 Cb 0.59 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.86 1yj9 h GLU 93 CO 0.02 0.33 -0.34 -0.97 -0.73 0.00 0.00 179.01 177.32 1yj9 h ASN 94 N 0.51 0.29 -0.46 1.04 -1.24 -1.12 -1.66 115.58 112.95 1yj9 h ASN 94 Ca 0.54 -0.78 -0.03 0.00 0.71 0.00 0.00 56.30 56.75 1yj9 h ASN 94 Cb 1.20 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 40.13 1yj9 h ASN 94 CO -0.28 1.04 0.20 0.00 -1.29 0.00 0.00 177.43 177.10 1yj9 h ALA 95 N 0.26 1.42 0.00 1.57 0.00 0.43 -0.55 119.26 122.39 1yj9 h ALA 95 Ca -0.04 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1yj9 h ALA 95 Cb 1.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1yj9 h ALA 95 CO 0.07 0.45 -0.31 0.28 0.00 0.00 0.00 179.25 179.74 1yj9 h VAL 96 N 0.71 0.37 -0.05 0.00 2.07 -0.51 -2.25 116.25 116.59 1yj9 h VAL 96 Ca 0.17 -1.53 -0.08 0.00 0.82 0.00 0.00 66.70 66.08 1yj9 h VAL 96 Cb 0.14 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1yj9 h VAL 96 CO -0.02 0.21 -0.30 1.23 0.02 0.00 0.00 177.57 178.71 1yj9 h GLY 97 N 3.79 0.32 1.42 2.17 0.00 -0.39 -2.78 103.07 107.60 1yj9 h GLY 97 Ca -0.01 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 1yj9 h GLY 97 CO 0.03 0.41 0.07 3.43 0.00 0.00 0.00 176.54 180.48 1yj9 h ASN 98 N -0.25 0.68 0.00 0.19 -0.26 -1.19 -2.73 115.58 112.02 1yj9 h ASN 98 Ca -0.02 -0.13 0.02 0.00 -0.56 0.00 0.00 56.30 55.60 1yj9 h ASN 98 Cb 0.97 -0.18 -0.05 0.00 -1.06 0.00 0.00 38.32 38.01 1yj9 h ASN 98 CO 0.06 0.71 -0.45 0.00 -1.06 0.00 0.00 177.43 176.69 1yj9 h ALA 99 N 1.38 -0.88 -0.50 -0.83 0.00 -1.29 -2.78 119.26 114.36 1yj9 h ALA 99 Ca 0.15 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1yj9 h ALA 99 Cb 0.33 0.88 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1yj9 h ALA 99 CO 0.01 -1.01 0.15 -0.44 0.00 0.00 0.00 179.25 177.95 1yj9 h ASP 100 N -0.56 0.68 0.00 0.00 3.32 -1.43 -1.43 116.42 117.01 1yj9 h ASP 100 Ca 0.01 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1yj9 h ASP 100 Cb 0.60 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1yj9 h ASP 100 CO -0.30 0.66 0.00 1.57 -1.72 0.00 0.00 179.24 179.45 1yj9 n HIS 101 N -4.31 0.00 -1.71 4.55 -0.00 -1.04 -0.35 115.22 112.36 1yj9 n HIS 101 Ca 0.04 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.27 1yj9 n HIS 101 Cb 0.19 0.00 0.09 0.00 -0.12 0.00 0.00 29.99 30.15 1yj9 n HIS 101 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1yj9 n GLN 102 N -0.69 0.71 -2.25 1.57 6.02 -0.58 -4.98 117.38 117.18 1yj9 n GLN 102 Ca 0.03 -2.11 -0.18 0.00 -0.01 0.00 0.00 57.00 54.73 1yj9 n GLN 102 Cb 0.01 -0.94 -0.02 0.00 1.02 0.00 0.00 30.24 30.31 1yj9 n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1yj9 n GLY 103 N -0.59 -0.13 3.93 1.08 0.00 0.53 -5.00 105.19 105.01 1yj9 n GLY 103 Ca 0.10 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 1yj9 n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yj9 s PHE 104 N -2.88 2.68 -0.98 1.61 0.40 -0.92 -5.00 117.98 112.89 1yj9 s PHE 104 Ca 0.00 -0.47 -0.06 0.00 -0.60 0.00 0.00 56.93 55.80 1yj9 s PHE 104 Cb 0.00 -2.25 0.25 0.00 0.51 0.00 0.00 43.02 41.53 1yj9 s PHE 104 CO 0.00 -0.28 0.93 0.34 0.70 0.00 0.00 175.22 176.91 1yj9 s ASP 105 N -4.24 6.67 0.12 1.36 -1.08 -1.26 -4.05 116.67 114.18 1yj9 s ASP 105 Ca 0.51 -3.55 -0.29 0.00 -0.52 0.00 0.00 52.55 48.70 1yj9 s ASP 105 Cb -0.06 -2.07 -0.09 0.00 -1.46 0.00 0.00 42.92 39.23 1yj9 s ASP 105 CO 0.30 -0.27 1.48 1.23 0.52 0.00 0.00 175.17 178.43 1yj9 h GLY 106 N 6.50 -1.13 -0.05 2.66 0.00 -1.87 -1.54 103.07 107.64 1yj9 h GLY 106 Ca 0.16 0.75 0.28 0.00 0.00 0.00 0.00 47.33 48.51 1yj9 h GLY 106 CO 0.92 -0.18 0.70 0.83 0.00 0.00 0.00 176.54 178.81 1yj9 h GLU 107 N -0.31 0.18 -0.27 4.80 5.08 -1.93 0.19 114.58 122.33 1yj9 h GLU 107 Ca 0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1yj9 h GLU 107 Cb 0.50 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1yj9 h GLU 107 CO -0.56 0.12 0.00 0.00 -1.00 0.00 0.00 179.01 177.57 1yj9 n ALA 108 N -2.62 2.47 -1.80 3.43 0.00 -0.63 -1.45 120.51 119.90 1yj9 n ALA 108 Ca 0.23 -0.75 -0.33 0.00 0.00 0.00 0.00 53.44 52.59 1yj9 n ALA 108 Cb 0.97 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1yj9 n ALA 108 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1yj9 s MET 109 N -1.66 3.98 0.03 0.00 -1.94 0.65 -4.52 119.30 115.84 1yj9 s MET 109 Ca 0.35 1.18 -0.15 0.00 -1.71 0.00 0.00 55.69 55.36 1yj9 s MET 109 Cb 0.20 -2.13 -0.06 0.00 2.01 0.00 0.00 34.83 34.85 1yj9 s MET 109 CO 0.29 -0.26 0.44 0.99 -0.01 0.00 0.00 175.02 176.47 1yj9 s THR 110 N -2.20 4.99 -1.02 2.05 2.01 0.36 -0.92 115.64 120.90 1yj9 s THR 110 Ca 0.63 0.84 -0.21 0.00 0.31 0.00 0.00 61.69 63.26 1yj9 s THR 110 Cb -0.12 -3.73 0.08 0.00 0.01 0.00 0.00 72.50 68.74 1yj9 s THR 110 CO 0.20 0.51 1.37 -0.63 -0.69 0.00 0.00 174.62 175.38 1yj9 s ILE 111 N -1.15 4.23 0.34 1.82 1.01 -0.43 -0.04 121.20 126.98 1yj9 s ILE 111 Ca 0.27 -1.16 0.11 0.00 0.00 0.00 0.00 60.65 59.87 1yj9 s ILE 111 Cb -0.17 -4.98 0.06 0.00 0.01 0.00 0.00 42.46 37.39 1yj9 s ILE 111 CO 0.15 -1.80 1.77 0.50 0.00 0.00 0.00 174.94 175.56 1yj9 h LYS 112 N 9.25 0.04 -2.03 2.79 3.64 -1.55 -2.37 116.57 126.33 1yj9 h LYS 112 Ca 0.21 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1yj9 h LYS 112 Cb 1.00 -0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.61 1yj9 h LYS 112 CO 1.32 0.46 0.11 -1.58 -2.27 0.00 0.00 179.45 177.49 1yj9 s HIS 113 N -4.07 -0.78 -0.26 1.91 5.04 -1.12 -4.91 115.29 111.10 1yj9 s HIS 113 Ca -0.03 1.89 -0.13 0.00 -1.54 0.00 0.00 55.06 55.26 1yj9 s HIS 113 Cb 0.14 0.27 0.09 0.00 0.04 0.00 0.00 32.58 33.12 1yj9 s HIS 113 CO 0.74 -0.37 0.62 0.54 -2.34 0.00 0.00 174.74 173.93 1yj9 s VAL 114 N 0.39 -0.30 -0.13 0.89 0.11 -1.26 0.15 120.40 120.25 1yj9 s VAL 114 Ca -0.00 0.03 -0.17 0.00 -2.93 0.00 0.00 61.98 58.90 1yj9 s VAL 114 Cb -0.05 -0.92 0.04 0.00 -1.53 0.00 0.00 36.38 33.92 1yj9 s VAL 114 CO 0.01 0.01 0.45 0.00 -3.33 0.00 0.00 175.10 172.24 1yj9 s ALA 115 N 1.99 -1.13 0.06 1.54 0.00 -0.83 -4.76 121.76 118.63 1yj9 s ALA 115 Ca -0.08 1.09 0.01 0.00 0.00 0.00 0.00 51.96 52.97 1yj9 s ALA 115 Cb -0.08 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1yj9 s ALA 115 CO -0.18 -0.24 0.15 0.00 0.00 0.00 0.00 175.76 175.49 1yj9 s ALA 116 N -0.25 3.82 -0.07 0.00 0.00 -1.26 -1.62 121.76 122.38 1yj9 s ALA 116 Ca -0.04 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 1yj9 s ALA 116 Cb -0.03 -1.68 0.04 0.00 0.00 0.00 0.00 23.12 21.45 1yj9 s ALA 116 CO 0.02 0.79 0.14 -1.01 0.00 0.00 0.00 175.76 175.70 1yj9 s HIS 117 N -1.43 -0.16 0.02 0.00 3.76 0.18 -4.97 115.29 112.70 1yj9 s HIS 117 Ca 0.31 0.50 -0.30 0.00 -0.15 0.00 0.00 55.06 55.42 1yj9 s HIS 117 Cb -0.13 -0.13 -0.05 0.00 1.11 0.00 0.00 32.58 33.38 1yj9 s HIS 117 CO 0.24 -0.19 1.18 0.21 -0.85 0.00 0.00 174.74 175.33 1yj9 s LYS 118 N 1.43 4.42 -0.03 1.40 2.20 -1.26 -1.38 119.74 126.52 1yj9 s LYS 118 Ca -0.06 1.71 0.11 0.00 -0.36 0.00 0.00 55.97 57.37 1yj9 s LYS 118 Cb -0.12 -3.42 -0.17 0.00 -1.51 0.00 0.00 37.83 32.62 1yj9 s LYS 118 CO -0.06 -0.29 0.22 0.28 -0.36 0.00 0.00 175.35 175.15 1yj9 n VAL 119 N 4.11 0.09 -1.45 4.02 0.31 0.15 -4.95 118.33 120.61 1yj9 n VAL 119 Ca 0.09 -0.28 0.19 0.00 -0.01 0.00 0.00 64.34 64.33 1yj9 n VAL 119 Cb 0.47 0.12 -0.06 0.00 -0.91 0.00 0.00 33.84 33.46 1yj9 n VAL 119 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1yj9 n GLY 120 N 1.92 -2.25 1.91 2.92 0.00 -1.20 -4.98 105.19 103.51 1yj9 n GLY 120 Ca -0.04 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1yj9 n GLY 120 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1yj9 n GLU 121 N -4.27 -0.45 -0.11 1.61 0.00 -1.26 -4.85 120.64 111.31 1yj9 n GLU 121 Ca -0.01 0.43 -0.12 0.00 0.00 0.00 0.00 57.16 57.46 1yj9 n GLU 121 Cb 0.68 -0.49 -0.03 0.00 0.00 0.00 0.00 31.44 31.59 1yj9 n GLU 121 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1yj9 h ARG 125 N 4.04 0.66 -1.06 3.44 2.43 -1.95 -3.50 114.38 118.44 1yj9 h ARG 125 Ca 0.00 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1yj9 h ARG 125 Cb 0.00 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1yj9 h ARG 125 CO 0.00 0.85 0.00 1.63 -1.51 0.00 0.00 179.97 180.94 1yj9 n LYS 126 N -4.40 0.00 -0.63 0.20 4.76 -1.26 -5.06 118.16 111.77 1yj9 n LYS 126 Ca -0.03 0.27 -0.31 0.00 -2.87 0.00 0.00 58.31 55.37 1yj9 n LYS 126 Cb 0.36 -0.26 0.19 0.00 -1.84 0.00 0.00 35.03 33.48 1yj9 n LYS 126 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1yj9 n PRO 127 N 1.40 -1.53 -4.50 1.97 -0.02 -1.26 -5.05 135.00 126.01 1yj9 n PRO 127 Ca 0.00 -0.41 -0.32 0.00 -2.02 0.00 0.00 63.50 60.75 1yj9 n PRO 127 Cb 0.00 -1.94 -0.05 0.00 -0.02 0.00 0.00 33.50 31.49 1yj9 n PRO 127 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1yj9 s ARG 128 N -3.89 2.23 -0.40 -0.52 0.52 -1.26 -5.05 118.95 110.59 1yj9 s ARG 128 Ca 0.61 -2.32 -0.20 0.00 -0.52 0.00 0.00 55.73 53.30 1yj9 s ARG 128 Cb -0.19 -1.70 0.01 0.00 0.52 0.00 0.00 34.95 33.60 1yj9 s ARG 128 CO 0.65 -0.49 0.62 0.00 0.02 0.00 0.00 175.30 176.11 1yj9 s ALA 129 N -2.87 3.40 0.00 2.13 0.00 -1.26 -3.20 121.76 119.96 1yj9 s ALA 129 Ca 0.11 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1yj9 s ALA 129 Cb -0.00 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1yj9 s ALA 129 CO 0.07 -1.56 0.00 -1.33 0.00 0.00 0.00 175.76 172.94 1yj9 n MET 130 N 6.11 0.00 -4.55 0.00 2.81 -1.26 -5.07 117.12 115.17 1yj9 n MET 130 Ca -0.02 0.11 -0.23 0.00 -1.81 0.00 0.00 57.70 55.75 1yj9 n MET 130 Cb 0.48 -1.48 -0.14 0.00 -0.71 0.00 0.00 33.22 31.37 1yj9 n MET 130 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1yj9 s GLY 131 N -2.22 0.97 0.00 3.03 0.00 -1.19 -5.15 107.32 102.76 1yj9 s GLY 131 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.78 1yj9 s GLY 131 CO 0.00 -0.88 0.00 0.54 0.00 0.00 0.00 173.10 172.76 1yj9 n ARG 132 N 1.94 0.57 -4.09 2.90 1.74 -1.26 -4.20 116.66 114.25 1yj9 n ARG 132 Ca -0.17 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.68 1yj9 n ARG 132 Cb 0.54 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.92 1yj9 n ARG 132 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yj9 s ALA 133 N -3.23 3.51 -0.01 7.54 0.00 -1.26 -4.38 121.76 123.93 1yj9 s ALA 133 Ca 0.00 -1.83 -0.30 0.00 0.00 0.00 0.00 51.96 49.83 1yj9 s ALA 133 Cb 0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 1yj9 s ALA 133 CO 0.00 0.03 1.43 0.45 0.00 0.00 0.00 175.76 177.67 1yj9 s SER 134 N -3.85 6.82 0.00 0.00 0.15 -1.26 -5.00 113.70 110.56 1yj9 s SER 134 Ca 0.38 2.12 0.00 0.00 0.70 0.00 0.00 55.95 59.15 1yj9 s SER 134 Cb -0.02 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1yj9 s SER 134 CO 0.23 -0.75 0.00 0.00 1.20 0.00 0.00 173.24 173.91 1yj9 n ALA 135 N 5.65 0.00 -1.28 5.45 0.00 -1.26 -4.91 120.51 124.16 1yj9 n ALA 135 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1yj9 n ALA 135 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1yj9 n ALA 135 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1yj9 n TRP 136 N 0.00 0.00 -2.48 0.00 7.02 -1.26 -5.00 117.44 115.72 1yj9 n TRP 136 Ca 0.00 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.18 1yj9 n TRP 136 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1yj9 n TRP 136 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1yj9 n ASN 137 N 0.00 5.22 -4.57 -0.99 3.02 -1.26 -5.06 115.26 111.62 1yj9 n ASN 137 Ca 0.00 -3.73 -0.48 0.00 -0.03 0.00 0.00 54.58 50.34 1yj9 n ASN 137 Cb 0.00 -0.60 -0.04 0.00 -0.61 0.00 0.00 39.78 38.53 1yj9 n ASN 137 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1yj9 n SER 138 N -0.43 1.18 -4.77 6.41 3.41 -1.26 -4.88 113.62 113.27 1yj9 n SER 138 Ca 0.40 1.15 -0.35 0.00 -0.26 0.00 0.00 58.87 59.81 1yj9 n SER 138 Cb 0.53 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 1yj9 n SER 138 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1yj9 s PRO 139 N -0.59 3.36 -0.20 4.33 0.02 -1.26 -4.85 135.00 135.80 1yj9 s PRO 139 Ca 0.71 1.62 0.01 0.00 0.02 0.00 0.00 61.00 63.36 1yj9 s PRO 139 Cb -0.84 -2.01 0.03 0.00 0.02 0.00 0.00 34.50 31.69 1yj9 s PRO 139 CO 0.54 -0.85 -0.17 -0.65 -0.33 0.00 0.00 177.00 175.53 1yj9 s GLN 140 N -3.27 2.83 0.06 5.54 -0.21 -1.26 -3.34 119.66 120.01 1yj9 s GLN 140 Ca 0.73 -0.94 0.03 0.00 0.02 0.00 0.00 55.36 55.20 1yj9 s GLN 140 Cb -0.24 -2.66 -0.04 0.00 1.00 0.00 0.00 33.01 31.07 1yj9 s GLN 140 CO 0.27 -0.29 0.01 0.08 -2.12 0.00 0.00 175.29 173.24 1yj9 s VAL 141 N 1.25 4.12 0.09 1.09 1.01 0.16 0.34 120.40 128.46 1yj9 s VAL 141 Ca 0.02 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.26 1yj9 s VAL 141 Cb -0.15 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1yj9 s VAL 141 CO -0.11 0.21 -0.22 -1.81 0.00 0.00 0.00 175.10 173.17 1yj9 s ASP 142 N -2.05 2.71 -0.22 3.32 1.11 -0.48 -0.01 116.67 121.05 1yj9 s ASP 142 Ca 0.24 -0.65 -0.10 0.00 0.18 0.00 0.00 52.55 52.22 1yj9 s ASP 142 Cb -0.12 -0.18 0.08 0.00 1.07 0.00 0.00 42.92 43.78 1yj9 s ASP 142 CO 0.16 0.12 0.51 0.54 1.18 0.00 0.00 175.17 177.68 1yj9 s VAL 143 N -1.02 -0.36 0.15 -1.27 0.11 -0.87 -0.64 120.40 116.49 1yj9 s VAL 143 Ca 0.08 0.08 -0.03 0.00 -2.93 0.00 0.00 61.98 59.19 1yj9 s VAL 143 Cb -0.10 -0.77 -0.05 0.00 -1.53 0.00 0.00 36.38 33.94 1yj9 s VAL 143 CO 0.04 0.03 0.36 -1.83 -3.33 0.00 0.00 175.10 170.37 1yj9 s GLU 144 N 2.05 3.57 -0.10 1.54 -1.05 -0.64 -1.41 118.70 122.66 1yj9 s GLU 144 Ca -0.07 -0.19 -0.05 0.00 -0.15 0.00 0.00 54.97 54.51 1yj9 s GLU 144 Cb -0.09 -2.87 0.05 0.00 -0.44 0.00 0.00 34.13 30.77 1yj9 s GLU 144 CO -0.15 0.47 0.24 -1.17 0.95 0.00 0.00 175.26 175.60 1yj9 s LEU 145 N -2.80 0.44 -0.26 1.83 2.96 0.20 -1.97 118.68 119.09 1yj9 s LEU 145 Ca 0.40 0.52 0.02 0.00 -0.22 0.00 0.00 54.13 54.84 1yj9 s LEU 145 Cb -0.12 0.73 0.07 0.00 0.50 0.00 0.00 46.19 47.37 1yj9 s LEU 145 CO 0.26 -0.16 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.46 1yj9 s ILE 146 N 1.22 1.73 0.03 6.68 1.01 0.12 -1.29 121.20 130.69 1yj9 s ILE 146 Ca -0.09 -1.47 -0.24 0.00 0.00 0.00 0.00 60.65 58.85 1yj9 s ILE 146 Cb -0.10 -2.01 -0.05 0.00 0.01 0.00 0.00 42.46 40.31 1yj9 s ILE 146 CO -0.08 -0.18 0.73 -0.76 0.00 0.00 0.00 174.94 174.65 1yj9 s LEU 147 N 1.28 4.43 -0.02 2.97 1.43 0.49 -1.37 118.68 127.90 1yj9 s LEU 147 Ca -0.04 1.38 0.05 0.00 -1.03 0.00 0.00 54.13 54.49 1yj9 s LEU 147 Cb -0.19 -3.16 -0.01 0.00 0.03 0.00 0.00 46.19 42.86 1yj9 s LEU 147 CO -0.07 0.02 -0.16 -0.70 0.23 0.00 0.00 176.35 175.67 1yj9 s GLU 148 N -0.02 1.36 0.33 1.70 2.12 0.95 0.66 118.70 125.80 1yj9 s GLU 148 Ca 0.37 -0.56 -0.29 0.00 0.36 0.00 0.00 54.97 54.85 1yj9 s GLU 148 Cb -0.20 -1.28 -0.12 0.00 0.26 0.00 0.00 34.13 32.80 1yj9 s GLU 148 CO 0.22 0.31 1.49 0.39 -0.54 0.00 0.00 175.26 177.13 1yj9 n GLU 149 N 2.80 2.56 0.00 4.30 1.02 -1.15 -0.49 120.64 129.68 1yj9 n GLU 149 Ca -0.15 0.90 0.00 0.00 -0.02 0.00 0.00 57.16 57.89 1yj9 n GLU 149 Cb 0.54 -2.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.34 1yj9 n GLU 149 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01