#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yt9 s GLN 2 N 0.00 3.26 -0.09 0.54 0.74 -1.26 -5.10 119.66 117.75 1yt9 s GLN 2 Ca 0.00 -0.70 -0.01 0.00 0.05 0.00 0.00 55.36 54.70 1yt9 s GLN 2 Cb 0.00 -2.80 -0.03 0.00 1.10 0.00 0.00 33.01 31.28 1yt9 s GLN 2 CO 0.00 -0.12 -0.06 0.42 -0.55 0.00 0.00 175.29 174.99 1yt9 s ILE 3 N 1.19 3.79 -0.19 -2.34 1.01 -1.26 -5.10 121.20 118.30 1yt9 s ILE 3 Ca 0.02 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.20 1yt9 s ILE 3 Cb -0.14 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 1yt9 s ILE 3 CO -0.04 0.57 -0.04 0.42 0.00 0.00 0.00 174.94 175.85 1yt9 s THR 4 N -0.49 3.60 -0.87 2.92 -4.23 -1.26 -5.01 115.64 110.31 1yt9 s THR 4 Ca 0.07 -0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 1yt9 s THR 4 Cb -0.12 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1yt9 s THR 4 CO 0.02 0.45 0.20 0.18 -0.54 0.00 0.00 174.62 174.93 1yt9 n LEU 5 N 4.29 0.45 0.26 4.79 4.77 -1.26 -3.59 117.00 126.71 1yt9 n LEU 5 Ca -0.18 -0.23 0.13 0.00 -0.03 0.00 0.00 56.01 55.71 1yt9 n LEU 5 Cb 0.52 -0.18 0.70 0.00 -2.33 0.00 0.00 43.42 42.12 1yt9 n LEU 5 CO 0.30 0.10 0.95 -0.50 -1.33 0.00 0.00 177.39 176.92 1yt9 h TRP 6 N 0.73 0.00 -1.98 -1.77 4.06 -2.06 -3.43 115.95 111.50 1yt9 h TRP 6 Ca 0.00 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.38 1yt9 h TRP 6 Cb 0.20 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 28.23 1yt9 h TRP 6 CO 0.00 0.12 -0.56 -0.65 -3.56 0.00 0.00 178.44 173.79 1yt9 s GLN 7 N -3.99 1.91 -0.02 0.49 -0.21 -1.24 -5.10 119.66 111.51 1yt9 s GLN 7 Ca -0.02 -2.14 -0.30 0.00 0.02 0.00 0.00 55.36 52.93 1yt9 s GLN 7 Cb 0.12 -1.10 -0.04 0.00 1.00 0.00 0.00 33.01 32.98 1yt9 s GLN 7 CO 0.58 -0.28 1.26 1.03 -2.12 0.00 0.00 175.29 175.76 1yt9 s ARG 8 N -3.81 4.34 -0.19 2.91 0.52 -1.26 -4.87 118.95 116.60 1yt9 s ARG 8 Ca 0.26 1.78 -0.02 0.00 -0.52 0.00 0.00 55.73 57.22 1yt9 s ARG 8 Cb 0.06 -3.52 -0.07 0.00 0.52 0.00 0.00 34.95 31.93 1yt9 s ARG 8 CO 0.13 -0.45 1.59 -0.35 0.02 0.00 0.00 175.30 176.24 1yt9 n PRO 9 N 5.02 0.87 -2.33 3.54 -0.04 -1.26 -4.88 135.00 135.92 1yt9 n PRO 9 Ca 0.11 -0.59 -0.42 0.00 -0.04 0.00 0.00 63.50 62.56 1yt9 n PRO 9 Cb 0.45 -1.87 -0.03 0.00 -0.04 0.00 0.00 33.50 32.01 1yt9 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1yt9 s LEU 10 N 0.02 4.34 0.18 1.53 1.43 -1.26 -2.62 118.68 122.30 1yt9 s LEU 10 Ca 0.23 2.07 0.03 0.00 -1.03 0.00 0.00 54.13 55.43 1yt9 s LEU 10 Cb 0.09 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 1yt9 s LEU 10 CO -0.01 -0.59 -0.02 0.68 0.23 0.00 0.00 176.35 176.65 1yt9 s VAL 11 N 1.61 0.84 0.20 -1.59 -7.23 -0.61 -4.95 120.40 108.66 1yt9 s VAL 11 Ca 0.61 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.56 1yt9 s VAL 11 Cb -0.31 -2.12 -0.08 0.00 0.56 0.00 0.00 36.38 34.43 1yt9 s VAL 11 CO 0.27 -0.49 0.73 -0.89 -0.31 0.00 0.00 175.10 174.42 1yt9 s THR 12 N -3.55 4.51 0.03 5.32 2.01 -1.26 -0.32 115.64 122.39 1yt9 s THR 12 Ca 0.24 1.41 0.04 0.00 0.31 0.00 0.00 61.69 63.68 1yt9 s THR 12 Cb 0.05 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 1yt9 s THR 12 CO 0.04 0.32 -0.11 0.27 -0.69 0.00 0.00 174.62 174.45 1yt9 s ILE 13 N -1.39 0.85 -0.31 1.82 -4.36 0.39 -2.14 121.20 116.06 1yt9 s ILE 13 Ca 0.40 -0.88 -0.00 0.00 -0.26 0.00 0.00 60.65 59.90 1yt9 s ILE 13 Cb -0.19 -0.80 0.06 0.00 1.25 0.00 0.00 42.46 42.79 1yt9 s ILE 13 CO 0.22 -0.07 0.00 -0.75 0.24 0.00 0.00 174.94 174.59 1yt9 s LYS 14 N -1.07 2.26 -0.21 0.37 2.20 0.20 0.18 119.74 123.68 1yt9 s LYS 14 Ca -0.01 -1.40 -0.01 0.00 -0.36 0.00 0.00 55.97 54.19 1yt9 s LYS 14 Cb -0.07 -3.17 0.06 0.00 -1.51 0.00 0.00 37.83 33.14 1yt9 s LYS 14 CO 0.01 -0.69 -0.01 -1.50 -0.36 0.00 0.00 175.35 172.80 1yt9 s ILE 15 N 1.18 1.02 0.00 5.43 2.07 -1.10 0.44 121.20 130.24 1yt9 s ILE 15 Ca -0.03 -0.86 0.00 0.00 -1.41 0.00 0.00 60.65 58.35 1yt9 s ILE 15 Cb -0.20 -1.39 0.00 0.00 0.13 0.00 0.00 42.46 41.00 1yt9 s ILE 15 CO -0.03 -0.14 0.00 0.61 -1.91 0.00 0.00 174.94 173.47 1yt9 n GLY 16 N 4.87 0.86 0.00 1.50 0.00 -1.26 -3.90 105.19 107.25 1yt9 n GLY 16 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1yt9 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yt9 n GLY 17 N -2.22 3.12 3.79 -0.02 0.00 -1.26 -5.08 105.19 103.51 1yt9 n GLY 17 Ca 0.00 -1.11 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 1yt9 n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1yt9 s GLN 18 N 0.00 4.49 0.05 1.61 0.74 -1.25 -5.04 119.66 120.26 1yt9 s GLN 18 Ca 0.00 1.29 -0.17 0.00 0.05 0.00 0.00 55.36 56.53 1yt9 s GLN 18 Cb 0.00 -2.65 -0.06 0.00 1.10 0.00 0.00 33.01 31.39 1yt9 s GLN 18 CO 0.00 0.20 0.50 -0.51 -0.55 0.00 0.00 175.29 174.92 1yt9 s LEU 19 N -2.32 4.48 -0.00 3.68 1.43 -1.26 -2.70 118.68 121.98 1yt9 s LEU 19 Ca 0.53 1.11 0.01 0.00 -1.03 0.00 0.00 54.13 54.74 1yt9 s LEU 19 Cb -0.17 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.23 1yt9 s LEU 19 CO 0.21 0.27 -0.02 -0.54 0.23 0.00 0.00 176.35 176.51 1yt9 s LYS 20 N -1.23 0.19 -0.30 1.70 1.02 0.13 -4.94 119.74 116.31 1yt9 s LYS 20 Ca 0.28 -0.06 -0.22 0.00 0.02 0.00 0.00 55.97 55.99 1yt9 s LYS 20 Cb -0.18 -0.20 -0.00 0.00 -0.52 0.00 0.00 37.83 36.93 1yt9 s LYS 20 CO 0.17 0.03 0.73 -2.00 -0.92 0.00 0.00 175.35 173.36 1yt9 s GLU 21 N 0.06 3.97 0.55 1.68 2.12 -1.26 0.15 118.70 125.96 1yt9 s GLU 21 Ca -0.00 0.52 0.03 0.00 0.36 0.00 0.00 54.97 55.87 1yt9 s GLU 21 Cb -0.02 -3.72 0.03 0.00 0.26 0.00 0.00 34.13 30.68 1yt9 s GLU 21 CO -0.00 -0.61 0.25 0.00 -0.54 0.00 0.00 175.26 174.35 1yt9 s ALA 22 N 2.80 4.43 -0.19 6.30 0.00 0.56 -4.45 121.76 131.22 1yt9 s ALA 22 Ca 0.30 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 1yt9 s ALA 22 Cb -0.15 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.55 1yt9 s ALA 22 CO 0.12 -0.29 -0.13 -1.17 0.00 0.00 0.00 175.76 174.29 1yt9 s LEU 23 N -4.15 2.49 -0.13 0.00 2.96 0.62 -1.57 118.68 118.90 1yt9 s LEU 23 Ca 0.19 -0.51 -0.29 0.00 -0.22 0.00 0.00 54.13 53.29 1yt9 s LEU 23 Cb -0.01 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 1yt9 s LEU 23 CO 0.12 0.01 1.29 -0.76 -1.32 0.00 0.00 176.35 175.70 1yt9 s LEU 24 N 1.24 4.22 -0.23 -0.68 1.43 -1.08 -1.53 118.68 122.05 1yt9 s LEU 24 Ca 0.03 1.78 -0.02 0.00 -1.03 0.00 0.00 54.13 54.89 1yt9 s LEU 24 Cb -0.14 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.61 1yt9 s LEU 24 CO -0.06 -0.74 0.05 -0.62 0.23 0.00 0.00 176.35 175.21 1yt9 s ASP 25 N 1.99 3.30 0.32 2.29 -1.08 -0.96 -4.76 116.67 117.78 1yt9 s ASP 25 Ca 0.57 -1.08 0.26 0.00 -0.52 0.00 0.00 52.55 51.78 1yt9 s ASP 25 Cb -0.24 -0.69 0.93 0.00 -1.46 0.00 0.00 42.92 41.47 1yt9 s ASP 25 CO 0.18 -0.34 1.77 0.71 0.52 0.00 0.00 175.17 178.01 1yt9 h THR 26 N 6.51 0.00 -0.17 1.71 1.35 -1.94 -3.19 112.91 117.17 1yt9 h THR 26 Ca -0.16 -0.45 -0.10 0.00 -0.55 0.00 0.00 66.41 65.15 1yt9 h THR 26 Cb 1.08 1.34 -0.00 0.00 -1.73 0.00 0.00 68.15 68.84 1yt9 h THR 26 CO 0.38 0.00 -0.28 1.23 -0.25 0.00 0.00 175.52 176.60 1yt9 h GLY 27 N 3.06 0.54 -3.86 5.82 0.00 -1.95 -3.45 103.07 103.24 1yt9 h GLY 27 Ca 0.00 -0.62 -0.50 0.00 0.00 0.00 0.00 47.33 46.21 1yt9 h GLY 27 CO 0.00 0.55 0.41 0.00 0.00 0.00 0.00 176.54 177.51 1yt9 s ALA 28 N -4.12 3.36 -0.02 3.60 0.00 -1.21 -4.97 121.76 118.40 1yt9 s ALA 28 Ca -0.13 0.74 -0.22 0.00 0.00 0.00 0.00 51.96 52.34 1yt9 s ALA 28 Cb 0.06 -3.28 -0.22 0.00 0.00 0.00 0.00 23.12 19.68 1yt9 s ALA 28 CO 0.79 -0.00 1.10 -0.44 0.00 0.00 0.00 175.76 177.21 1yt9 h ASP 29 N 4.35 0.35 -0.77 0.00 5.19 -1.87 -2.52 116.42 121.17 1yt9 h ASP 29 Ca -0.45 -0.73 -0.54 0.00 -0.62 0.00 0.00 57.03 54.69 1yt9 h ASP 29 Cb 1.21 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.59 1yt9 h ASP 29 CO 0.69 1.03 -0.24 -1.81 -3.12 0.00 0.00 179.24 175.79 1yt9 s ASP 30 N -6.44 4.86 -0.32 6.45 1.01 -1.26 -2.23 116.67 118.74 1yt9 s ASP 30 Ca -0.15 -1.04 -0.08 0.00 0.71 0.00 0.00 52.55 52.00 1yt9 s ASP 30 Cb 0.02 0.24 0.01 0.00 1.01 0.00 0.00 42.92 44.21 1yt9 s ASP 30 CO 0.77 -1.13 0.12 -0.89 0.21 0.00 0.00 175.17 174.25 1yt9 s THR 31 N -2.69 4.17 -0.16 -1.27 2.01 -1.26 -2.25 115.64 114.19 1yt9 s THR 31 Ca 0.46 -0.74 -0.07 0.00 0.31 0.00 0.00 61.69 61.65 1yt9 s THR 31 Cb -0.04 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 1yt9 s THR 31 CO 0.28 -0.02 0.07 -0.69 -0.69 0.00 0.00 174.62 173.58 1yt9 s VAL 32 N 1.52 4.90 0.27 3.82 1.01 0.29 0.29 120.40 132.51 1yt9 s VAL 32 Ca 0.02 -0.00 0.12 0.00 0.00 0.00 0.00 61.98 62.12 1yt9 s VAL 32 Cb -0.18 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 1yt9 s VAL 32 CO 0.04 0.51 -0.20 -0.76 0.00 0.00 0.00 175.10 174.68 1yt9 s LEU 33 N -0.05 2.58 0.66 3.92 1.43 0.89 -0.17 118.68 127.93 1yt9 s LEU 33 Ca 0.07 -1.02 -0.14 0.00 -1.03 0.00 0.00 54.13 52.02 1yt9 s LEU 33 Cb -0.12 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 45.00 1yt9 s LEU 33 CO 0.01 0.04 1.07 -1.61 0.23 0.00 0.00 176.35 176.09 1yt9 s GLU 34 N -3.44 2.98 -0.43 1.70 2.02 -1.26 -2.10 118.70 118.16 1yt9 s GLU 34 Ca 0.29 1.17 -0.44 0.00 0.02 0.00 0.00 54.97 56.01 1yt9 s GLU 34 Cb -0.05 -1.99 -0.18 0.00 0.10 0.00 0.00 34.13 32.01 1yt9 s GLU 34 CO 0.14 -1.08 1.78 -1.91 0.02 0.00 0.00 175.26 174.21 1yt9 n GLU 35 N -2.59 0.39 -3.78 1.61 4.07 -1.23 -4.70 120.64 114.41 1yt9 n GLU 35 Ca 0.09 0.14 -0.07 0.00 -0.06 0.00 0.00 57.16 57.25 1yt9 n GLU 35 Cb 0.53 -1.73 -0.02 0.00 -0.06 0.00 0.00 31.44 30.16 1yt9 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1yt9 s MET 36 N 3.94 1.65 -0.11 5.31 0.23 -1.26 -5.07 119.30 123.99 1yt9 s MET 36 Ca 1.06 -0.88 -0.08 0.00 -1.03 0.00 0.00 55.69 54.77 1yt9 s MET 36 Cb -1.34 0.59 -0.04 0.00 -1.53 0.00 0.00 34.83 32.51 1yt9 s MET 36 CO 0.72 -0.75 0.17 0.45 -2.03 0.00 0.00 175.02 173.58 1yt9 s SER 37 N -2.89 6.44 0.02 -1.18 0.15 -1.26 -5.07 113.70 109.90 1yt9 s SER 37 Ca 0.10 0.52 -0.07 0.00 0.70 0.00 0.00 55.95 57.20 1yt9 s SER 37 Cb -0.05 -2.09 -0.00 0.00 -1.71 0.00 0.00 66.02 62.17 1yt9 s SER 37 CO 0.03 0.40 0.14 -0.76 1.20 0.00 0.00 173.24 174.26 1yt9 s LEU 38 N -1.02 1.57 0.89 3.45 1.43 -1.26 -5.06 118.68 118.68 1yt9 s LEU 38 Ca 0.16 -0.34 -0.10 0.00 -1.03 0.00 0.00 54.13 52.81 1yt9 s LEU 38 Cb -0.13 0.73 0.13 0.00 0.03 0.00 0.00 46.19 46.96 1yt9 s LEU 38 CO 0.05 -0.46 1.13 -2.16 0.23 0.00 0.00 176.35 175.14 1yt9 s PRO 39 N -2.06 1.25 1.63 1.29 0.04 -1.26 -4.91 135.00 130.97 1yt9 s PRO 39 Ca -0.09 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1yt9 s PRO 39 Cb -0.04 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1yt9 s PRO 39 CO -0.02 -2.44 0.00 0.41 0.04 0.00 0.00 177.00 175.00 1yt9 n GLY 40 N -0.11 -1.48 3.83 0.56 0.00 -1.26 -4.92 105.19 101.80 1yt9 n GLY 40 Ca 0.11 -1.28 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 1yt9 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yt9 s ARG 41 N 0.00 2.99 0.13 1.61 0.52 -1.26 -5.12 118.95 117.81 1yt9 s ARG 41 Ca 0.00 -0.89 0.11 0.00 -0.52 0.00 0.00 55.73 54.43 1yt9 s ARG 41 Cb 0.00 -2.67 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 1yt9 s ARG 41 CO 0.00 0.46 -0.27 1.67 0.02 0.00 0.00 175.30 177.19 1yt9 s TRP 42 N -1.87 2.29 0.36 -0.53 1.48 -1.26 -4.66 118.94 114.76 1yt9 s TRP 42 Ca 0.32 -0.38 0.07 0.00 -1.06 0.00 0.00 56.10 55.05 1yt9 s TRP 42 Cb -0.09 -1.24 -0.01 0.00 -1.16 0.00 0.00 33.47 30.96 1yt9 s TRP 42 CO 0.25 0.34 0.41 0.15 -4.06 0.00 0.00 176.95 174.04 1yt9 s LYS 43 N -2.07 2.86 0.04 3.25 1.02 -0.57 -4.83 119.74 119.44 1yt9 s LYS 43 Ca 0.14 -1.21 -0.18 0.00 0.02 0.00 0.00 55.97 54.74 1yt9 s LYS 43 Cb -0.10 -2.64 -0.06 0.00 -0.52 0.00 0.00 37.83 34.51 1yt9 s LYS 43 CO 0.06 -0.01 0.52 -1.25 -0.92 0.00 0.00 175.35 173.75 1yt9 s PRO 44 N -4.13 4.14 -0.01 -1.68 0.04 -1.26 -1.91 135.00 130.19 1yt9 s PRO 44 Ca 0.46 0.63 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1yt9 s PRO 44 Cb -0.07 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.22 1yt9 s PRO 44 CO 0.29 0.60 0.00 0.21 0.04 0.00 0.00 177.00 178.15 1yt9 s LYS 45 N -0.92 0.06 -0.16 4.56 2.47 -0.90 -4.96 119.74 119.88 1yt9 s LYS 45 Ca 0.28 0.03 -0.06 0.00 -1.56 0.00 0.00 55.97 54.65 1yt9 s LYS 45 Cb -0.18 -0.14 -0.04 0.00 -1.46 0.00 0.00 37.83 36.01 1yt9 s LYS 45 CO 0.17 -0.04 0.05 -1.64 0.16 0.00 0.00 175.35 174.05 1yt9 s MET 46 N 0.32 3.78 -0.03 4.03 -1.94 -1.26 -1.07 119.30 123.13 1yt9 s MET 46 Ca -0.03 -0.34 0.00 0.00 -1.71 0.00 0.00 55.69 53.61 1yt9 s MET 46 Cb -0.04 -3.14 0.03 0.00 2.01 0.00 0.00 34.83 33.69 1yt9 s MET 46 CO -0.01 0.37 0.00 0.96 -0.01 0.00 0.00 175.02 176.34 1yt9 s ILE 47 N 0.07 0.14 -0.29 2.53 -4.36 -1.04 -4.95 121.20 113.31 1yt9 s ILE 47 Ca 0.05 0.10 -0.06 0.00 -0.26 0.00 0.00 60.65 60.48 1yt9 s ILE 47 Cb -0.12 -0.24 0.01 0.00 1.25 0.00 0.00 42.46 43.36 1yt9 s ILE 47 CO 0.01 0.13 0.06 -0.83 0.24 0.00 0.00 174.94 174.55 1yt9 s GLY 48 N 1.00 1.77 0.00 6.27 0.00 -1.26 -0.85 107.32 114.24 1yt9 s GLY 48 Ca -0.10 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.14 1yt9 s GLY 48 CO -0.02 0.64 0.00 0.61 0.00 0.00 0.00 173.10 174.33 1yt9 n GLY 49 N 4.83 1.51 0.26 0.20 0.00 -0.11 -4.81 105.19 107.06 1yt9 n GLY 49 Ca -0.15 -1.73 0.17 0.00 0.00 0.00 0.00 46.02 44.31 1yt9 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1yt9 h ILE 50 N 0.00 0.00 0.00 -0.61 6.09 -2.04 -3.07 117.51 117.88 1yt9 h ILE 50 Ca 0.00 -0.42 0.00 0.00 -1.37 0.00 0.00 64.86 63.07 1yt9 h ILE 50 Cb 0.00 1.37 0.00 0.00 0.47 0.00 0.00 36.82 38.66 1yt9 h ILE 50 CO 0.00 0.00 -0.01 0.61 -3.07 0.00 0.00 178.15 175.68 1yt9 n GLY 51 N -0.08 3.02 0.00 8.18 0.00 -1.26 -5.12 105.19 109.94 1yt9 n GLY 51 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1yt9 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yt9 n GLY 52 N -0.63 2.46 3.79 -0.02 0.00 -1.16 -5.07 105.19 104.55 1yt9 n GLY 52 Ca 0.03 -2.15 -0.36 0.00 0.00 0.00 0.00 46.02 43.55 1yt9 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yt9 s PHE 53 N -1.92 3.56 0.14 1.61 0.40 -1.25 -0.94 117.98 119.58 1yt9 s PHE 53 Ca 0.00 1.73 -0.00 0.00 -0.60 0.00 0.00 56.93 58.05 1yt9 s PHE 53 Cb 0.00 -2.91 -0.04 0.00 0.51 0.00 0.00 43.02 40.58 1yt9 s PHE 53 CO 0.00 0.09 0.04 0.96 0.70 0.00 0.00 175.22 177.01 1yt9 s ILE 54 N -1.79 0.25 -0.20 0.64 -4.36 -0.03 -4.92 121.20 110.78 1yt9 s ILE 54 Ca 0.54 -1.92 -0.15 0.00 -0.26 0.00 0.00 60.65 58.86 1yt9 s ILE 54 Cb -0.16 -2.04 -0.04 0.00 1.25 0.00 0.00 42.46 41.48 1yt9 s ILE 54 CO 0.20 -0.50 0.34 -0.75 0.24 0.00 0.00 174.94 174.48 1yt9 s LYS 55 N -4.01 4.18 0.16 0.37 2.20 -1.26 -2.49 119.74 118.89 1yt9 s LYS 55 Ca 0.23 0.12 0.06 0.00 -0.36 0.00 0.00 55.97 56.02 1yt9 s LYS 55 Cb 0.07 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 1yt9 s LYS 55 CO 0.02 0.04 -0.14 0.14 -0.36 0.00 0.00 175.35 175.05 1yt9 s VAL 56 N 1.07 1.48 0.29 4.02 -7.23 -0.23 -4.70 120.40 115.09 1yt9 s VAL 56 Ca 0.17 -1.98 -0.03 0.00 -1.81 0.00 0.00 61.98 58.32 1yt9 s VAL 56 Cb -0.14 -1.81 -0.05 0.00 0.56 0.00 0.00 36.38 34.94 1yt9 s VAL 56 CO 0.07 -0.54 0.53 -0.13 -0.31 0.00 0.00 175.10 174.71 1yt9 s ARG 57 N -3.25 3.59 -0.14 4.82 0.52 0.13 -2.12 118.95 122.49 1yt9 s ARG 57 Ca 0.16 -0.11 -0.02 0.00 -0.52 0.00 0.00 55.73 55.25 1yt9 s ARG 57 Cb -0.02 -2.68 0.04 0.00 0.52 0.00 0.00 34.95 32.82 1yt9 s ARG 57 CO 0.04 0.23 -0.00 -1.14 0.02 0.00 0.00 175.30 174.45 1yt9 s GLN 58 N -3.66 0.86 -0.30 3.54 0.74 -0.80 -1.22 119.66 118.82 1yt9 s GLN 58 Ca 0.42 -0.25 -0.05 0.00 0.05 0.00 0.00 55.36 55.53 1yt9 s GLN 58 Cb -0.11 -1.66 0.02 0.00 1.10 0.00 0.00 33.01 32.37 1yt9 s GLN 58 CO 0.31 -0.45 0.05 0.71 -0.55 0.00 0.00 175.29 175.36 1yt9 s TYR 59 N 1.84 3.17 0.60 1.67 1.51 -1.20 -1.51 117.35 123.43 1yt9 s TYR 59 Ca 0.02 -1.29 -0.09 0.00 -1.01 0.00 0.00 57.07 54.70 1yt9 s TYR 59 Cb -0.15 -2.21 -0.02 0.00 -0.11 0.00 0.00 41.96 39.48 1yt9 s TYR 59 CO -0.07 -0.67 0.96 -0.51 -1.11 0.00 0.00 175.55 174.16 1yt9 s ASP 60 N 1.42 5.91 -1.14 2.29 1.01 -1.26 -1.94 116.67 122.95 1yt9 s ASP 60 Ca 0.00 1.09 -0.18 0.00 0.71 0.00 0.00 52.55 54.17 1yt9 s ASP 60 Cb -0.18 -2.12 -0.01 0.00 1.01 0.00 0.00 42.92 41.61 1yt9 s ASP 60 CO 0.01 -0.96 0.79 1.67 0.21 0.00 0.00 175.17 176.89 1yt9 n GLN 61 N -2.67 -1.52 -4.43 8.23 7.27 -1.22 -4.80 117.38 118.24 1yt9 n GLN 61 Ca 0.05 0.50 -0.34 0.00 0.07 0.00 0.00 57.00 57.28 1yt9 n GLN 61 Cb 0.56 -4.34 -0.12 0.00 2.41 0.00 0.00 30.24 28.75 1yt9 n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1yt9 s ILE 62 N -3.48 3.86 -0.42 1.69 -1.09 0.17 -4.65 121.20 117.28 1yt9 s ILE 62 Ca 0.44 -0.37 -0.27 0.00 -2.23 0.00 0.00 60.65 58.22 1yt9 s ILE 62 Cb -0.15 -2.68 0.02 0.00 -1.58 0.00 0.00 42.46 38.08 1yt9 s ILE 62 CO 0.85 0.51 0.99 -0.22 -1.23 0.00 0.00 174.94 175.83 1yt9 s LEU 63 N 0.23 3.91 -0.03 2.97 2.96 -1.26 0.12 118.68 127.58 1yt9 s LEU 63 Ca -0.03 0.46 0.03 0.00 -0.22 0.00 0.00 54.13 54.37 1yt9 s LEU 63 Cb -0.14 -3.33 0.00 0.00 0.50 0.00 0.00 46.19 43.22 1yt9 s LEU 63 CO 0.03 -1.01 -0.11 -0.51 -1.32 0.00 0.00 176.35 173.43 1yt9 s ILE 64 N 3.80 0.98 -0.22 6.68 2.07 0.84 -4.27 121.20 131.07 1yt9 s ILE 64 Ca 0.41 -0.47 -0.17 0.00 -1.41 0.00 0.00 60.65 59.01 1yt9 s ILE 64 Cb -0.10 -0.86 -0.03 0.00 0.13 0.00 0.00 42.46 41.59 1yt9 s ILE 64 CO 0.24 0.30 0.45 -0.70 -1.91 0.00 0.00 174.94 173.32 1yt9 s GLU 65 N 0.17 4.14 -0.30 3.50 2.12 0.17 -1.20 118.70 127.30 1yt9 s GLU 65 Ca -0.04 0.27 -0.00 0.00 0.36 0.00 0.00 54.97 55.56 1yt9 s GLU 65 Cb -0.10 -3.58 0.06 0.00 0.26 0.00 0.00 34.13 30.77 1yt9 s GLU 65 CO 0.01 -0.17 -0.01 0.42 -0.54 0.00 0.00 175.26 174.97 1yt9 s ILE 66 N 1.71 2.75 -1.33 -3.70 1.09 -1.23 0.62 121.20 121.10 1yt9 s ILE 66 Ca 0.20 -1.57 -0.07 0.00 -1.10 0.00 0.00 60.65 58.11 1yt9 s ILE 66 Cb -0.15 -2.65 0.04 0.00 -1.06 0.00 0.00 42.46 38.65 1yt9 s ILE 66 CO 0.09 -0.17 0.46 0.00 -0.10 0.00 0.00 174.94 175.22 1yt9 n GLY 68 N -1.22 0.81 2.79 0.00 0.00 -1.26 -5.05 105.19 101.24 1yt9 n GLY 68 Ca -0.06 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 1yt9 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1yt9 s HIS 69 N -2.00 2.35 0.06 1.61 3.76 -0.65 -5.10 115.29 115.32 1yt9 s HIS 69 Ca 0.00 -2.65 -0.37 0.00 -0.15 0.00 0.00 55.06 51.89 1yt9 s HIS 69 Cb 0.00 -2.17 -0.18 0.00 1.11 0.00 0.00 32.58 31.33 1yt9 s HIS 69 CO 0.00 -0.77 1.11 1.63 -0.85 0.00 0.00 174.74 175.86 1yt9 n LYS 70 N 3.42 0.47 -3.92 1.40 4.76 -1.26 -3.53 118.16 119.51 1yt9 n LYS 70 Ca 0.07 0.17 -0.10 0.00 -2.87 0.00 0.00 58.31 55.58 1yt9 n LYS 70 Cb 0.34 -1.67 -0.10 0.00 -1.84 0.00 0.00 35.03 31.76 1yt9 n LYS 70 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1yt9 s ALA 71 N 0.03 -0.12 -0.10 7.82 0.00 -0.34 -4.88 121.76 124.18 1yt9 s ALA 71 Ca 0.85 -0.38 -0.00 0.00 0.00 0.00 0.00 51.96 52.42 1yt9 s ALA 71 Cb -1.10 0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.20 1yt9 s ALA 71 CO 0.53 -0.22 -0.07 0.42 0.00 0.00 0.00 175.76 176.42 1yt9 s ILE 72 N -1.71 0.98 -0.00 0.00 1.01 -1.26 -0.12 121.20 120.10 1yt9 s ILE 72 Ca -0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 1yt9 s ILE 72 Cb -0.07 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.41 1yt9 s ILE 72 CO -0.01 0.36 0.03 0.61 0.00 0.00 0.00 174.94 175.93 1yt9 n GLY 73 N 4.85 0.44 3.71 6.18 0.00 0.12 -4.66 105.19 115.82 1yt9 n GLY 73 Ca -0.13 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 1yt9 n GLY 73 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1yt9 n THR 74 N -0.02 0.34 -3.76 2.61 -1.04 -1.26 -0.66 114.28 110.49 1yt9 n THR 74 Ca 0.00 -0.08 -0.29 0.00 -2.04 0.00 0.00 64.05 61.64 1yt9 n THR 74 Cb 0.01 -1.81 -0.16 0.00 -1.82 0.00 0.00 70.33 66.56 1yt9 n THR 74 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1yt9 s VAL 75 N 0.70 0.73 0.11 12.58 1.01 -0.82 -4.60 120.40 130.12 1yt9 s VAL 75 Ca 0.73 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 61.59 1yt9 s VAL 75 Cb -0.56 -1.29 -0.07 0.00 0.00 0.00 0.00 36.38 34.46 1yt9 s VAL 75 CO 0.39 -0.32 0.81 -0.76 0.00 0.00 0.00 175.10 175.22 1yt9 s LEU 76 N 1.74 4.52 -0.01 3.92 1.43 0.15 -3.24 118.68 127.20 1yt9 s LEU 76 Ca 0.01 1.60 0.06 0.00 -1.03 0.00 0.00 54.13 54.77 1yt9 s LEU 76 Cb -0.17 -3.32 -0.02 0.00 0.03 0.00 0.00 46.19 42.71 1yt9 s LEU 76 CO -0.13 0.08 -0.19 -0.69 0.23 0.00 0.00 176.35 175.66 1yt9 s VAL 77 N -0.52 1.50 -1.03 -1.59 1.01 -0.36 0.30 120.40 119.72 1yt9 s VAL 77 Ca 0.39 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1yt9 s VAL 77 Cb -0.22 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.90 1yt9 s VAL 77 CO 0.26 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.35 1yt9 n GLY 78 N 2.50 -0.72 3.55 4.51 0.00 -0.89 0.20 105.19 114.34 1yt9 n GLY 78 Ca -0.15 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 1yt9 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1yt9 s PRO 79 N -0.41 3.51 0.03 1.61 0.04 -1.26 -3.55 135.00 134.97 1yt9 s PRO 79 Ca 0.00 -1.02 0.07 0.00 0.04 0.00 0.00 61.00 60.10 1yt9 s PRO 79 Cb 0.00 -5.08 -0.02 0.00 0.04 0.00 0.00 34.50 29.43 1yt9 s PRO 79 CO 0.00 -2.15 -0.21 -0.08 0.04 0.00 0.00 177.00 174.60 1yt9 s THR 80 N 4.87 1.71 0.00 1.26 -1.32 -1.26 -5.06 115.64 115.85 1yt9 s THR 80 Ca 0.42 -1.17 0.00 0.00 -1.21 0.00 0.00 61.69 59.73 1yt9 s THR 80 Cb -0.02 -1.48 0.00 0.00 -1.51 0.00 0.00 72.50 69.49 1yt9 s THR 80 CO -0.05 0.26 0.94 -2.65 -2.21 0.00 0.00 174.62 170.91 1yt9 n PRO 81 N 1.95 0.00 -4.40 7.08 -0.02 -1.26 -4.78 135.00 133.56 1yt9 n PRO 81 Ca -0.17 0.73 -0.26 0.00 -2.02 0.00 0.00 63.50 61.78 1yt9 n PRO 81 Cb 0.53 -1.44 -0.09 0.00 -0.02 0.00 0.00 33.50 32.48 1yt9 n PRO 81 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1yt9 s VAL 82 N -2.76 2.32 0.43 -1.45 -7.23 -1.26 -5.03 120.40 105.42 1yt9 s VAL 82 Ca 0.00 -1.95 -0.24 0.00 -1.81 0.00 0.00 61.98 57.98 1yt9 s VAL 82 Cb 0.00 -2.88 -0.08 0.00 0.56 0.00 0.00 36.38 33.98 1yt9 s VAL 82 CO 0.00 -0.10 1.14 0.20 -0.31 0.00 0.00 175.10 176.03 1yt9 s ASN 83 N -3.74 6.41 -0.05 4.85 0.01 -1.26 -4.75 114.94 116.41 1yt9 s ASN 83 Ca 0.36 2.26 -0.02 0.00 -0.71 0.00 0.00 52.86 54.76 1yt9 s ASN 83 Cb 0.04 -2.60 0.03 0.00 0.41 0.00 0.00 41.25 39.13 1yt9 s ASN 83 CO 0.19 -0.75 0.05 -0.63 -1.51 0.00 0.00 177.10 174.45 1yt9 s ILE 84 N -1.52 -0.01 -0.38 0.60 1.01 0.76 -0.27 121.20 121.38 1yt9 s ILE 84 Ca 0.60 0.36 -0.15 0.00 0.00 0.00 0.00 60.65 61.46 1yt9 s ILE 84 Cb -0.28 -0.22 0.00 0.00 0.01 0.00 0.00 42.46 41.97 1yt9 s ILE 84 CO 0.35 0.19 0.31 -0.63 0.00 0.00 0.00 174.94 175.16 1yt9 s ILE 85 N 2.08 5.23 0.81 2.92 -1.09 -0.58 -0.54 121.20 130.02 1yt9 s ILE 85 Ca 0.04 -0.38 -0.05 0.00 -2.23 0.00 0.00 60.65 58.03 1yt9 s ILE 85 Cb -0.12 -3.86 0.17 0.00 -1.58 0.00 0.00 42.46 37.06 1yt9 s ILE 85 CO -0.03 -0.20 1.11 -0.83 -1.23 0.00 0.00 174.94 173.76 1yt9 s GLY 86 N 1.72 1.77 0.38 6.18 0.00 -0.95 -2.26 107.32 114.15 1yt9 s GLY 86 Ca 0.07 -1.70 0.17 0.00 0.00 0.00 0.00 44.72 43.26 1yt9 s GLY 86 CO 0.11 -1.02 1.76 3.21 0.00 0.00 0.00 173.10 177.15 1yt9 h ARG 87 N -0.92 0.42 -0.94 2.90 3.08 -1.09 0.17 114.38 118.00 1yt9 h ARG 87 Ca -0.37 -0.03 0.17 0.00 0.07 0.00 0.00 59.98 59.82 1yt9 h ARG 87 Cb 1.25 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 31.12 1yt9 h ARG 87 CO 0.36 0.28 0.60 -2.95 -1.07 0.00 0.00 179.97 177.19 1yt9 h ASN 88 N 0.43 0.65 0.38 7.04 -1.07 -1.76 0.41 115.58 121.66 1yt9 h ASN 88 Ca 0.61 0.06 0.00 0.00 0.07 0.00 0.00 56.30 57.04 1yt9 h ASN 88 Cb 1.47 -0.07 0.00 0.00 -2.07 0.00 0.00 38.32 37.65 1yt9 h ASN 88 CO -0.34 0.29 -1.45 0.18 0.07 0.00 0.00 177.43 176.18 1yt9 n LEU 89 N -4.61 0.43 -0.02 6.14 4.77 -0.12 -3.89 117.00 119.70 1yt9 n LEU 89 Ca 0.20 0.06 -0.17 0.00 -0.03 0.00 0.00 56.01 56.07 1yt9 n LEU 89 Cb 0.54 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 1yt9 n LEU 89 CO 0.27 -0.03 0.31 -0.07 -1.33 0.00 0.00 177.39 176.54 1yt9 h LEU 90 N 0.00 0.79 -1.76 2.23 3.38 0.74 -2.78 115.31 117.93 1yt9 h LEU 90 Ca 0.00 -0.64 -0.03 0.00 0.09 0.00 0.00 57.88 57.30 1yt9 h LEU 90 Cb 0.91 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1yt9 h LEU 90 CO 0.00 1.30 -0.16 0.71 0.09 0.00 0.00 178.44 180.39 1yt9 h THR 91 N 0.33 0.68 0.20 0.22 1.35 -0.45 0.40 112.91 115.64 1yt9 h THR 91 Ca -0.05 -0.66 -0.01 0.00 -0.55 0.00 0.00 66.41 65.14 1yt9 h THR 91 Cb 1.30 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1yt9 h THR 91 CO 0.14 0.15 -0.09 1.56 -0.25 0.00 0.00 175.52 177.03 1yt9 h GLN 92 N 0.00 -0.25 0.00 4.72 4.20 -1.63 -3.01 115.11 119.13 1yt9 h GLN 92 Ca -0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1yt9 h GLN 92 Cb 0.40 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1yt9 h GLN 92 CO 0.02 0.15 0.00 0.44 -0.67 0.00 0.00 178.83 178.77 1yt9 n ILE 93 N -4.98 0.38 -2.53 2.54 -5.35 -1.06 -4.85 119.36 103.50 1yt9 n ILE 93 Ca -0.08 0.09 -0.03 0.00 -0.27 0.00 0.00 62.75 62.46 1yt9 n ILE 93 Cb 0.26 -0.87 0.01 0.00 -1.74 0.00 0.00 39.64 37.30 1yt9 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1yt9 n GLY 94 N -0.13 0.63 3.80 3.28 0.00 -0.85 -5.05 105.19 106.88 1yt9 n GLY 94 Ca 0.08 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 1yt9 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yt9 s THR 96 N -1.65 0.12 -0.18 0.00 -4.23 -1.26 -4.72 115.64 103.72 1yt9 s THR 96 Ca 0.48 -1.00 -0.09 0.00 -1.18 0.00 0.00 61.69 59.90 1yt9 s THR 96 Cb -0.16 -0.98 -0.05 0.00 1.34 0.00 0.00 72.50 72.65 1yt9 s THR 96 CO 0.21 -0.55 0.13 -0.76 -0.54 0.00 0.00 174.62 173.11 1yt9 s LEU 97 N -2.23 4.23 -0.03 4.79 1.43 -1.26 -5.09 118.68 120.53 1yt9 s LEU 97 Ca -0.03 0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.33 1yt9 s LEU 97 Cb -0.00 -2.08 0.03 0.00 0.03 0.00 0.00 46.19 44.17 1yt9 s LEU 97 CO -0.05 0.22 0.05 0.20 0.23 0.00 0.00 176.35 177.00 1yt9 s ASN 98 N 0.10 0.66 0.00 2.29 0.01 -1.26 -5.30 114.94 111.44 1yt9 s ASN 98 Ca 0.09 0.06 0.00 0.00 -0.71 0.00 0.00 52.86 52.30 1yt9 s ASN 98 Cb -0.11 -0.11 0.00 0.00 0.41 0.00 0.00 41.25 41.44 1yt9 s ASN 98 CO -0.01 -0.20 0.00 2.22 -1.51 0.00 0.00 177.10 177.61