#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 4.05 -0.26 0.54 0.74 -1.26 -5.06 119.66 118.41 1yt9 s GLN 2 Ca 0.00 -0.28 -0.08 0.00 0.05 0.00 0.00 55.36 55.05 1yt9 s GLN 2 Cb 0.00 -3.56 -0.03 0.00 1.10 0.00 0.00 33.01 30.52 1yt9 s GLN 2 CO 0.00 0.01 0.10 0.42 -0.55 0.00 0.00 175.29 175.27 1yt9 s ILE 3 N 1.20 4.49 0.73 -2.34 1.01 -1.26 -5.09 121.20 119.94 1yt9 s ILE 3 Ca 0.07 -0.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.48 1yt9 s ILE 3 Cb -0.14 -3.12 0.05 0.00 0.01 0.00 0.00 42.46 39.26 1yt9 s ILE 3 CO 0.06 0.30 1.09 0.42 0.00 0.00 0.00 174.94 176.80 1yt9 s THR 4 N 1.64 2.60 -0.24 2.92 -4.23 -1.26 -5.01 115.64 112.06 1yt9 s THR 4 Ca 0.06 0.04 0.10 0.00 -1.18 0.00 0.00 61.69 60.71 1yt9 s THR 4 Cb -0.15 -3.16 0.44 0.00 1.34 0.00 0.00 72.50 70.96 1yt9 s THR 4 CO 0.05 -0.20 1.25 0.18 -0.54 0.00 0.00 174.62 175.37 1yt9 n LEU 5 N -3.06 3.24 0.18 4.79 4.77 -1.26 -4.62 117.00 121.05 1yt9 n LEU 5 Ca 0.07 -4.01 0.07 0.00 -0.03 0.00 0.00 56.01 52.11 1yt9 n LEU 5 Cb 0.60 -0.52 0.21 0.00 -2.33 0.00 0.00 43.42 41.37 1yt9 n LEU 5 CO 0.55 1.49 0.66 -0.50 -1.33 0.00 0.00 177.39 178.26 1yt9 h TRP 6 N 1.17 0.00 -3.16 -1.77 4.06 -2.05 -3.46 115.95 110.74 1yt9 h TRP 6 Ca 0.08 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.50 1yt9 h TRP 6 Cb 1.16 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.19 1yt9 h TRP 6 CO 0.82 0.31 -0.51 -0.65 -3.56 0.00 0.00 178.44 174.84 1yt9 s GLN 7 N -3.25 1.89 0.19 0.49 1.11 -1.26 -5.11 119.66 113.72 1yt9 s GLN 7 Ca 0.03 -2.14 -0.30 0.00 0.01 0.00 0.00 55.36 52.95 1yt9 s GLN 7 Cb 0.08 -0.38 -0.09 0.00 -1.01 0.00 0.00 33.01 31.61 1yt9 s GLN 7 CO 0.69 -0.53 1.39 1.03 0.01 0.00 0.00 175.29 177.89 1yt9 s ARG 8 N -3.65 4.32 -1.07 2.91 0.52 -1.26 -4.88 118.95 115.84 1yt9 s ARG 8 Ca 0.27 2.16 -0.18 0.00 -0.52 0.00 0.00 55.73 57.46 1yt9 s ARG 8 Cb 0.02 -3.18 -0.07 0.00 0.52 0.00 0.00 34.95 32.24 1yt9 s ARG 8 CO 0.17 -0.38 2.07 -0.35 0.02 0.00 0.00 175.30 176.83 1yt9 n PRO 9 N 3.01 2.10 -3.21 3.54 -0.04 -1.26 -4.93 135.00 134.21 1yt9 n PRO 9 Ca 0.08 -2.16 -0.39 0.00 -0.04 0.00 0.00 63.50 61.00 1yt9 n PRO 9 Cb 0.41 -3.06 -0.06 0.00 -0.04 0.00 0.00 33.50 30.75 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 1.56 4.19 0.04 1.53 1.43 -1.26 -0.42 118.68 125.75 1yt9 s LEU 10 Ca 0.53 0.79 0.03 0.00 -1.03 0.00 0.00 54.13 54.45 1yt9 s LEU 10 Cb 0.14 -2.79 -0.02 0.00 0.03 0.00 0.00 46.19 43.55 1yt9 s LEU 10 CO 0.03 -0.16 -0.10 0.68 0.23 0.00 0.00 176.35 177.03 1yt9 s VAL 11 N 1.42 0.73 0.54 -1.59 -7.23 -0.85 -4.95 120.40 108.47 1yt9 s VAL 11 Ca 0.27 -0.97 -0.20 0.00 -1.81 0.00 0.00 61.98 59.27 1yt9 s VAL 11 Cb -0.16 -0.73 -0.05 0.00 0.56 0.00 0.00 36.38 36.00 1yt9 s VAL 11 CO 0.11 -0.20 1.18 -0.89 -0.31 0.00 0.00 175.10 174.99 1yt9 s THR 12 N -1.06 2.89 0.07 5.32 2.01 -1.26 -2.46 115.64 121.14 1yt9 s THR 12 Ca -0.04 0.59 -0.02 0.00 0.31 0.00 0.00 61.69 62.52 1yt9 s THR 12 Cb -0.08 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 69.13 1yt9 s THR 12 CO 0.01 -0.08 0.03 0.27 -0.69 0.00 0.00 174.62 174.15 1yt9 s ILE 13 N -1.62 0.18 -0.05 1.82 -4.36 0.25 -3.14 121.20 114.28 1yt9 s ILE 13 Ca 0.72 -1.73 0.01 0.00 -0.26 0.00 0.00 60.65 59.40 1yt9 s ILE 13 Cb -0.29 -1.60 0.02 0.00 1.25 0.00 0.00 42.46 41.84 1yt9 s ILE 13 CO 0.32 -0.83 -0.07 -0.75 0.24 0.00 0.00 174.94 173.85 1yt9 s LYS 14 N -3.94 1.12 -0.17 0.37 2.20 -0.17 -1.83 119.74 117.32 1yt9 s LYS 14 Ca 0.10 -0.20 -0.10 0.00 -0.36 0.00 0.00 55.97 55.42 1yt9 s LYS 14 Cb 0.07 -1.05 0.06 0.00 -1.51 0.00 0.00 37.83 35.40 1yt9 s LYS 14 CO -0.08 -0.06 0.41 -1.50 -0.36 0.00 0.00 175.35 173.76 1yt9 s ILE 15 N 0.90 -0.02 -1.24 5.43 2.07 -0.88 -0.50 121.20 126.96 1yt9 s ILE 15 Ca -0.11 0.08 -0.05 0.00 -1.41 0.00 0.00 60.65 59.16 1yt9 s ILE 15 Cb -0.15 -0.60 0.01 0.00 0.13 0.00 0.00 42.46 41.85 1yt9 s ILE 15 CO 0.01 0.03 1.07 0.61 -1.91 0.00 0.00 174.94 174.75 1yt9 n GLY 16 N 4.08 -0.42 4.45 1.50 0.00 -1.26 -1.90 105.19 111.64 1yt9 n GLY 16 Ca -0.22 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.65 1.60 3.90 -0.02 0.00 -1.26 -4.94 105.19 102.83 1yt9 n GLY 17 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1yt9 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yt9 s GLN 18 N 0.00 2.17 -0.11 1.61 -0.21 -0.80 -5.09 119.66 117.23 1yt9 s GLN 18 Ca 0.00 0.11 -0.01 0.00 0.02 0.00 0.00 55.36 55.48 1yt9 s GLN 18 Cb 0.00 -2.00 0.03 0.00 1.00 0.00 0.00 33.01 32.03 1yt9 s GLN 18 CO 0.00 -1.42 -0.05 -0.51 -2.12 0.00 0.00 175.29 171.18 1yt9 s LEU 19 N -5.48 1.08 0.11 2.90 1.43 -1.26 -2.08 118.68 115.38 1yt9 s LEU 19 Ca 0.61 -0.30 0.04 0.00 -1.03 0.00 0.00 54.13 53.45 1yt9 s LEU 19 Cb -0.11 -0.74 -0.04 0.00 0.03 0.00 0.00 46.19 45.33 1yt9 s LEU 19 CO 0.49 -0.15 -0.11 -0.54 0.23 0.00 0.00 176.35 176.27 1yt9 s LYS 20 N 1.77 0.90 0.10 1.70 1.02 -0.76 -4.99 119.74 119.48 1yt9 s LYS 20 Ca 0.04 -1.20 -0.14 0.00 0.02 0.00 0.00 55.97 54.70 1yt9 s LYS 20 Cb -0.13 -0.61 -0.06 0.00 -0.52 0.00 0.00 37.83 36.51 1yt9 s LYS 20 CO -0.07 0.10 0.49 -2.00 -0.92 0.00 0.00 175.35 172.94 1yt9 s GLU 21 N -2.85 3.94 -0.13 1.68 2.12 -1.26 -0.59 118.70 121.61 1yt9 s GLU 21 Ca 0.07 0.42 -0.19 0.00 0.36 0.00 0.00 54.97 55.63 1yt9 s GLU 21 Cb -0.03 -3.03 0.05 0.00 0.26 0.00 0.00 34.13 31.38 1yt9 s GLU 21 CO 0.01 0.56 0.50 0.00 -0.54 0.00 0.00 175.26 175.78 1yt9 s ALA 22 N -1.34 -1.24 -0.22 6.30 0.00 -1.03 -4.50 121.76 119.73 1yt9 s ALA 22 Ca 0.33 1.18 -0.29 0.00 0.00 0.00 0.00 51.96 53.18 1yt9 s ALA 22 Cb -0.16 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.48 1yt9 s ALA 22 CO 0.18 -0.27 1.02 -1.17 0.00 0.00 0.00 175.76 175.52 1yt9 s LEU 23 N -0.33 4.12 0.01 0.00 2.96 0.29 -2.00 118.68 123.73 1yt9 s LEU 23 Ca -0.05 1.36 -0.30 0.00 -0.22 0.00 0.00 54.13 54.92 1yt9 s LEU 23 Cb -0.03 -3.51 -0.07 0.00 0.50 0.00 0.00 46.19 43.08 1yt9 s LEU 23 CO 0.03 -0.63 1.64 -0.76 -1.32 0.00 0.00 176.35 175.31 1yt9 s LEU 24 N 3.03 4.35 -0.32 -0.68 1.43 0.44 -2.23 118.68 124.69 1yt9 s LEU 24 Ca 0.44 2.36 -0.01 0.00 -1.03 0.00 0.00 54.13 55.88 1yt9 s LEU 24 Cb -0.15 -3.55 0.11 0.00 0.03 0.00 0.00 46.19 42.62 1yt9 s LEU 24 CO 0.07 -0.89 0.13 -0.62 0.23 0.00 0.00 176.35 175.27 1yt9 s ASP 25 N 2.77 3.83 0.48 2.29 -1.08 -0.77 -4.74 116.67 119.46 1yt9 s ASP 25 Ca 0.73 -1.73 0.31 0.00 -0.52 0.00 0.00 52.55 51.34 1yt9 s ASP 25 Cb -0.37 -0.76 1.27 0.00 -1.46 0.00 0.00 42.92 41.60 1yt9 s ASP 25 CO 0.31 -0.40 1.92 0.71 0.52 0.00 0.00 175.17 178.23 1yt9 h THR 26 N 6.23 0.00 -0.31 1.71 1.35 -1.92 -1.47 112.91 118.50 1yt9 h THR 26 Ca -0.12 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1yt9 h THR 26 Cb 1.00 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1yt9 h THR 26 CO 0.45 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 1yt9 n GLY 27 N 0.05 0.53 3.25 5.82 0.00 -1.26 -4.74 105.19 108.84 1yt9 n GLY 27 Ca 0.01 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 1yt9 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yt9 s ALA 28 N -1.58 2.98 0.22 4.61 0.00 -0.55 -4.98 121.76 122.45 1yt9 s ALA 28 Ca 0.24 -1.71 -0.13 0.00 0.00 0.00 0.00 51.96 50.36 1yt9 s ALA 28 Cb 0.13 -2.15 0.26 0.00 0.00 0.00 0.00 23.12 21.35 1yt9 s ALA 28 CO 0.17 -1.26 1.62 -0.44 0.00 0.00 0.00 175.76 175.85 1yt9 h ASP 29 N 8.16 -0.62 -4.59 0.00 3.32 -1.85 -1.03 116.42 119.81 1yt9 h ASP 29 Ca -0.24 0.20 -0.30 0.00 0.02 0.00 0.00 57.03 56.72 1yt9 h ASP 29 Cb 1.08 0.41 -0.15 0.00 0.22 0.00 0.00 39.33 40.90 1yt9 h ASP 29 CO 0.58 -0.22 -0.65 -1.81 -1.72 0.00 0.00 179.24 175.43 1yt9 s ASP 30 N -5.24 1.12 0.22 6.45 1.01 -1.26 -3.53 116.67 115.44 1yt9 s ASP 30 Ca -0.14 -1.24 -0.30 0.00 0.71 0.00 0.00 52.55 51.58 1yt9 s ASP 30 Cb 0.20 0.15 -0.08 0.00 1.01 0.00 0.00 42.92 44.20 1yt9 s ASP 30 CO 0.74 -0.63 0.96 -0.89 0.21 0.00 0.00 175.17 175.56 1yt9 s THR 31 N -3.72 4.10 -0.18 -1.27 2.01 -1.26 -3.72 115.64 111.59 1yt9 s THR 31 Ca 0.28 2.03 -0.07 0.00 0.31 0.00 0.00 61.69 64.24 1yt9 s THR 31 Cb 0.07 -4.29 0.08 0.00 0.01 0.00 0.00 72.50 68.37 1yt9 s THR 31 CO 0.07 0.45 0.39 0.54 -0.69 0.00 0.00 174.62 175.37 1yt9 s VAL 32 N -0.92 -0.55 0.53 3.82 0.11 -0.21 0.24 120.40 123.41 1yt9 s VAL 32 Ca 0.43 0.18 0.07 0.00 -2.93 0.00 0.00 61.98 59.73 1yt9 s VAL 32 Cb -0.26 -0.62 0.04 0.00 -1.53 0.00 0.00 36.38 34.01 1yt9 s VAL 32 CO 0.32 0.08 0.51 -0.76 -3.33 0.00 0.00 175.10 171.92 1yt9 s LEU 33 N 2.47 2.94 0.44 2.54 1.43 0.17 -2.01 118.68 126.66 1yt9 s LEU 33 Ca -0.02 -1.04 -0.10 0.00 -1.03 0.00 0.00 54.13 51.94 1yt9 s LEU 33 Cb -0.12 -1.48 -0.06 0.00 0.03 0.00 0.00 46.19 44.56 1yt9 s LEU 33 CO -0.12 -1.08 0.80 -1.61 0.23 0.00 0.00 176.35 174.57 1yt9 s GLU 34 N -4.36 3.74 -0.16 1.70 2.02 -1.26 -1.69 118.70 118.69 1yt9 s GLU 34 Ca 0.44 0.47 -0.23 0.00 0.02 0.00 0.00 54.97 55.67 1yt9 s GLU 34 Cb -0.03 -2.35 -0.11 0.00 0.10 0.00 0.00 34.13 31.74 1yt9 s GLU 34 CO 0.27 -0.11 0.73 0.39 0.02 0.00 0.00 175.26 176.57 1yt9 n GLU 35 N -1.56 0.00 -3.51 1.61 -0.58 -1.17 -4.65 120.64 110.77 1yt9 n GLU 35 Ca 0.03 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.64 1yt9 n GLU 35 Cb 0.54 -0.79 -0.04 0.00 -0.57 0.00 0.00 31.44 30.58 1yt9 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1yt9 s MET 36 N 0.97 0.93 -0.27 3.49 0.23 -1.26 -5.02 119.30 118.36 1yt9 s MET 36 Ca 0.52 -0.07 -0.21 0.00 -1.03 0.00 0.00 55.69 54.90 1yt9 s MET 36 Cb -0.74 0.44 -0.01 0.00 -1.53 0.00 0.00 34.83 32.98 1yt9 s MET 36 CO 0.38 -0.35 0.68 0.45 -2.03 0.00 0.00 175.02 174.15 1yt9 s SER 37 N -1.83 6.60 0.06 -1.18 0.15 -1.26 -5.03 113.70 111.21 1yt9 s SER 37 Ca -0.02 0.67 0.07 0.00 0.70 0.00 0.00 55.95 57.36 1yt9 s SER 37 Cb -0.01 -2.36 -0.04 0.00 -1.71 0.00 0.00 66.02 61.91 1yt9 s SER 37 CO -0.02 -0.45 -0.14 -0.76 1.20 0.00 0.00 173.24 173.07 1yt9 s LEU 38 N 2.64 2.82 0.95 3.45 1.43 -1.26 -5.04 118.68 123.67 1yt9 s LEU 38 Ca 0.28 -0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 52.85 1yt9 s LEU 38 Cb -0.15 -1.65 0.16 0.00 0.03 0.00 0.00 46.19 44.58 1yt9 s LEU 38 CO 0.10 0.23 1.14 -2.16 0.23 0.00 0.00 176.35 175.88 1yt9 s PRO 39 N -1.75 0.79 0.66 1.29 0.04 -1.26 -4.93 135.00 129.85 1yt9 s PRO 39 Ca 0.17 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.46 1yt9 s PRO 39 Cb -0.11 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1yt9 s PRO 39 CO 0.09 -2.42 0.00 0.41 0.04 0.00 0.00 177.00 175.11 1yt9 n GLY 40 N -2.03 -2.14 4.01 0.56 0.00 -1.26 -4.94 105.19 99.40 1yt9 n GLY 40 Ca 0.07 -1.57 -0.20 0.00 0.00 0.00 0.00 46.02 44.32 1yt9 n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yt9 s ARG 41 N -0.17 2.32 0.05 1.61 3.00 -1.26 -5.13 118.95 119.37 1yt9 s ARG 41 Ca 0.00 -1.34 -0.21 0.00 -1.00 0.00 0.00 55.73 53.18 1yt9 s ARG 41 Cb 0.00 -2.59 0.05 0.00 0.00 0.00 0.00 34.95 32.41 1yt9 s ARG 41 CO 0.00 -0.83 0.49 1.67 0.00 0.00 0.00 175.30 176.63 1yt9 s TRP 42 N -2.71 -0.38 -0.05 5.12 1.48 -1.26 -4.58 118.94 116.56 1yt9 s TRP 42 Ca 0.61 0.40 0.06 0.00 -1.06 0.00 0.00 56.10 56.10 1yt9 s TRP 42 Cb -0.07 0.31 -0.01 0.00 -1.16 0.00 0.00 33.47 32.54 1yt9 s TRP 42 CO 0.39 -0.62 -0.24 0.21 -4.06 0.00 0.00 176.95 172.62 1yt9 s LYS 43 N -2.47 2.35 0.59 3.25 2.20 -1.16 -4.92 119.74 119.58 1yt9 s LYS 43 Ca -0.05 -0.86 -0.16 0.00 -0.36 0.00 0.00 55.97 54.54 1yt9 s LYS 43 Cb -0.01 -2.03 -0.04 0.00 -1.51 0.00 0.00 37.83 34.24 1yt9 s LYS 43 CO -0.02 0.38 1.07 -1.25 -0.36 0.00 0.00 175.35 175.17 1yt9 s PRO 44 N -0.19 3.31 0.15 4.03 0.04 -1.26 -1.50 135.00 139.58 1yt9 s PRO 44 Ca -0.02 1.28 -0.15 0.00 0.04 0.00 0.00 61.00 62.15 1yt9 s PRO 44 Cb -0.13 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.41 1yt9 s PRO 44 CO 0.03 -0.83 0.40 0.21 0.04 0.00 0.00 177.00 176.85 1yt9 s LYS 45 N -3.92 1.16 0.08 4.56 2.20 -0.12 -4.87 119.74 118.83 1yt9 s LYS 45 Ca 0.65 -0.85 0.08 0.00 -0.36 0.00 0.00 55.97 55.49 1yt9 s LYS 45 Cb -0.17 0.46 -0.03 0.00 -1.51 0.00 0.00 37.83 36.57 1yt9 s LYS 45 CO 0.35 -0.46 -0.22 1.41 -0.36 0.00 0.00 175.35 176.07 1yt9 s MET 46 N -3.86 1.28 -0.05 4.03 -2.45 -1.26 -0.09 119.30 116.89 1yt9 s MET 46 Ca 0.07 -1.10 0.01 0.00 -1.25 0.00 0.00 55.69 53.42 1yt9 s MET 46 Cb 0.01 -1.51 0.02 0.00 1.25 0.00 0.00 34.83 34.61 1yt9 s MET 46 CO -0.07 0.37 -0.05 0.96 1.05 0.00 0.00 175.02 177.28 1yt9 s ILE 47 N -1.01 0.60 0.00 10.11 -4.36 -0.59 -4.92 121.20 121.03 1yt9 s ILE 47 Ca 0.08 -0.14 0.00 0.00 -0.26 0.00 0.00 60.65 60.33 1yt9 s ILE 47 Cb -0.10 -0.62 0.00 0.00 1.25 0.00 0.00 42.46 42.99 1yt9 s ILE 47 CO 0.03 0.25 0.00 0.61 0.24 0.00 0.00 174.94 176.07 1yt9 n GLY 48 N 4.19 0.52 0.00 6.27 0.00 -1.25 -1.73 105.19 113.19 1yt9 n GLY 48 Ca -0.22 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1yt9 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yt9 n GLY 49 N 5.00 0.26 3.44 -0.02 0.00 -0.65 -4.75 105.19 108.48 1yt9 n GLY 49 Ca 0.00 -2.30 -0.50 0.00 0.00 0.00 0.00 46.02 43.22 1yt9 n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1yt9 n ILE 50 N -0.49 0.16 0.00 -0.61 2.08 -1.26 0.19 119.36 119.43 1yt9 n ILE 50 Ca 0.00 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 63.05 1yt9 n ILE 50 Cb 0.00 -1.62 0.00 0.00 -0.75 0.00 0.00 39.64 37.27 1yt9 n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1yt9 n GLY 51 N 6.56 1.77 0.00 7.39 0.00 -1.26 -4.98 105.19 114.66 1yt9 n GLY 51 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.96 0.16 3.64 -0.02 0.00 0.13 -5.07 105.19 103.07 1yt9 n GLY 52 Ca 0.00 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 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 0.00 2.32 -0.12 1.61 0.40 -1.24 -1.63 117.98 119.31 1yt9 s PHE 53 Ca 0.00 -0.77 -0.14 0.00 -0.60 0.00 0.00 56.93 55.43 1yt9 s PHE 53 Cb 0.00 -1.70 0.04 0.00 0.51 0.00 0.00 43.02 41.86 1yt9 s PHE 53 CO 0.00 0.36 0.38 0.96 0.70 0.00 0.00 175.22 177.62 1yt9 s ILE 54 N -2.79 0.01 0.08 0.64 -4.36 -0.70 -4.91 121.20 109.17 1yt9 s ILE 54 Ca 0.28 -0.08 -0.27 0.00 -0.26 0.00 0.00 60.65 60.31 1yt9 s ILE 54 Cb 0.08 -0.56 -0.06 0.00 1.25 0.00 0.00 42.46 43.17 1yt9 s ILE 54 CO 0.14 -0.05 0.86 -0.75 0.24 0.00 0.00 174.94 175.38 1yt9 s LYS 55 N -0.09 4.59 0.05 0.37 2.20 -1.26 -1.54 119.74 124.07 1yt9 s LYS 55 Ca -0.03 1.25 -0.01 0.00 -0.36 0.00 0.00 55.97 56.83 1yt9 s LYS 55 Cb -0.03 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 1yt9 s LYS 55 CO 0.01 0.27 -0.03 0.14 -0.36 0.00 0.00 175.35 175.38 1yt9 s VAL 56 N -0.10 0.26 -0.07 4.02 -7.23 0.86 -4.35 120.40 113.79 1yt9 s VAL 56 Ca 0.42 -1.69 -0.13 0.00 -1.81 0.00 0.00 61.98 58.78 1yt9 s VAL 56 Cb -0.22 -1.35 -0.05 0.00 0.56 0.00 0.00 36.38 35.32 1yt9 s VAL 56 CO 0.26 -0.91 0.32 -0.13 -0.31 0.00 0.00 175.10 174.33 1yt9 s ARG 57 N -3.53 3.88 -0.40 4.82 0.52 0.16 -0.95 118.95 123.45 1yt9 s ARG 57 Ca 0.04 0.20 -0.04 0.00 -0.52 0.00 0.00 55.73 55.42 1yt9 s ARG 57 Cb 0.05 -3.26 0.10 0.00 0.52 0.00 0.00 34.95 32.35 1yt9 s ARG 57 CO -0.08 0.60 0.20 -1.14 0.02 0.00 0.00 175.30 174.90 1yt9 s GLN 58 N -0.67 2.16 -0.14 3.54 0.74 -0.56 -0.42 119.66 124.31 1yt9 s GLN 58 Ca 0.20 -1.71 -0.14 0.00 0.05 0.00 0.00 55.36 53.76 1yt9 s GLN 58 Cb -0.15 -3.59 -0.05 0.00 1.10 0.00 0.00 33.01 30.33 1yt9 s GLN 58 CO 0.09 -1.02 0.30 0.71 -0.55 0.00 0.00 175.29 174.82 1yt9 s TYR 59 N 1.20 3.51 0.57 1.67 1.51 -0.60 -2.96 117.35 122.24 1yt9 s TYR 59 Ca 0.06 0.65 0.07 0.00 -1.01 0.00 0.00 57.07 56.84 1yt9 s TYR 59 Cb -0.23 -2.32 0.06 0.00 -0.11 0.00 0.00 41.96 39.37 1yt9 s TYR 59 CO -0.03 0.32 0.57 -0.51 -1.11 0.00 0.00 175.55 174.79 1yt9 s ASP 60 N 0.17 4.79 -1.06 2.29 -0.00 -1.26 0.21 116.67 121.81 1yt9 s ASP 60 Ca 0.18 -1.12 -0.24 0.00 -0.00 0.00 0.00 52.55 51.37 1yt9 s ASP 60 Cb -0.13 0.43 0.03 0.00 -0.00 0.00 0.00 42.92 43.25 1yt9 s ASP 60 CO 0.05 -1.23 0.64 0.00 -0.00 0.00 0.00 175.17 174.63 1yt9 n GLN 61 N -1.98 -0.63 -5.05 8.23 6.02 -1.26 -4.75 117.38 117.97 1yt9 n GLN 61 Ca 0.05 0.26 -0.32 0.00 -0.01 0.00 0.00 57.00 56.98 1yt9 n GLN 61 Cb 0.63 -2.28 -0.16 0.00 1.02 0.00 0.00 30.24 29.45 1yt9 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1yt9 s ILE 62 N -3.37 2.31 0.30 5.09 -1.09 -1.21 -4.82 121.20 118.40 1yt9 s ILE 62 Ca 0.33 -0.92 -0.27 0.00 -2.23 0.00 0.00 60.65 57.55 1yt9 s ILE 62 Cb -0.18 -1.91 -0.10 0.00 -1.58 0.00 0.00 42.46 38.69 1yt9 s ILE 62 CO 0.93 0.55 0.95 -0.22 -1.23 0.00 0.00 174.94 175.92 1yt9 s LEU 63 N 0.40 4.44 0.01 2.97 2.96 -1.26 -2.18 118.68 126.02 1yt9 s LEU 63 Ca -0.16 1.89 -0.04 0.00 -0.22 0.00 0.00 54.13 55.61 1yt9 s LEU 63 Cb -0.17 -3.88 -0.01 0.00 0.50 0.00 0.00 46.19 42.63 1yt9 s LEU 63 CO 0.07 -0.01 0.06 -0.63 -1.32 0.00 0.00 176.35 174.52 1yt9 s ILE 64 N -1.46 0.08 -0.57 6.68 1.01 0.80 -4.59 121.20 123.15 1yt9 s ILE 64 Ca 0.47 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 60.42 1yt9 s ILE 64 Cb -0.21 -0.32 0.15 0.00 0.01 0.00 0.00 42.46 42.08 1yt9 s ILE 64 CO 0.27 -0.39 0.36 -0.70 0.00 0.00 0.00 174.94 174.48 1yt9 s GLU 65 N -1.25 2.30 -0.30 2.79 2.56 0.34 -0.76 118.70 124.39 1yt9 s GLU 65 Ca -0.14 -2.52 -0.14 0.00 0.00 0.00 0.00 54.97 52.18 1yt9 s GLU 65 Cb -0.08 -3.57 -0.03 0.00 2.00 0.00 0.00 34.13 32.45 1yt9 s GLU 65 CO 0.00 -1.14 0.32 0.42 -0.56 0.00 0.00 175.26 174.30 1yt9 s ILE 66 N -0.07 5.21 -0.71 -3.70 1.01 -0.01 -1.00 121.20 121.92 1yt9 s ILE 66 Ca 0.16 0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.10 1yt9 s ILE 66 Cb -0.22 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1yt9 s ILE 66 CO -0.02 0.10 0.00 0.00 0.00 0.00 0.00 174.94 175.01 1yt9 n GLY 68 N 0.15 2.29 3.73 0.00 0.00 -1.26 -5.06 105.19 105.05 1yt9 n GLY 68 Ca -0.07 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.20 3.15 -0.12 1.61 4.02 0.15 -4.98 115.29 117.92 1yt9 s HIS 69 Ca 0.00 0.99 -0.18 0.00 1.02 0.00 0.00 55.06 56.89 1yt9 s HIS 69 Cb 0.00 -3.75 -0.04 0.00 -1.02 0.00 0.00 32.58 27.77 1yt9 s HIS 69 CO 0.00 -2.52 0.46 0.15 1.02 0.00 0.00 174.74 173.85 1yt9 s LYS 70 N 0.34 4.33 0.11 1.40 1.02 -1.26 -0.83 119.74 124.86 1yt9 s LYS 70 Ca 0.62 0.42 0.06 0.00 0.02 0.00 0.00 55.97 57.09 1yt9 s LYS 70 Cb -0.39 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.44 1yt9 s LYS 70 CO 0.36 0.16 -0.14 0.00 -0.92 0.00 0.00 175.35 174.81 1yt9 s ALA 71 N 0.62 1.43 0.03 5.17 0.00 0.06 -4.82 121.76 124.25 1yt9 s ALA 71 Ca 0.25 -1.22 0.03 0.00 0.00 0.00 0.00 51.96 51.02 1yt9 s ALA 71 Cb -0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 1yt9 s ALA 71 CO 0.10 0.12 -0.10 0.42 0.00 0.00 0.00 175.76 176.30 1yt9 s ILE 72 N -1.92 0.76 0.00 0.00 1.01 -1.26 -0.14 121.20 119.65 1yt9 s ILE 72 Ca 0.06 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.80 1yt9 s ILE 72 Cb -0.06 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.67 1yt9 s ILE 72 CO 0.03 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.44 1yt9 n GLY 73 N 1.88 3.55 2.53 6.18 0.00 -0.92 -4.89 105.19 113.51 1yt9 n GLY 73 Ca -0.19 -1.60 -0.34 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.92 1.03 -3.73 2.61 -1.04 -1.26 -3.35 114.28 106.63 1yt9 n THR 74 Ca 0.00 -0.38 -0.16 0.00 -2.04 0.00 0.00 64.05 61.47 1yt9 n THR 74 Cb 0.00 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.35 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 -0.99 -0.10 0.11 12.58 1.01 0.13 -4.48 120.40 128.66 1yt9 s VAL 75 Ca 0.47 0.28 -0.10 0.00 0.00 0.00 0.00 61.98 62.62 1yt9 s VAL 75 Cb -0.60 -0.16 -0.06 0.00 0.00 0.00 0.00 36.38 35.56 1yt9 s VAL 75 CO 0.45 0.12 0.44 -0.76 0.00 0.00 0.00 175.10 175.35 1yt9 s LEU 76 N 1.53 4.32 -0.08 3.92 1.43 0.14 -1.56 118.68 128.38 1yt9 s LEU 76 Ca -0.04 0.84 0.03 0.00 -1.03 0.00 0.00 54.13 53.93 1yt9 s LEU 76 Cb -0.12 -3.15 0.01 0.00 0.03 0.00 0.00 46.19 42.96 1yt9 s LEU 76 CO -0.04 0.12 -0.15 -0.69 0.23 0.00 0.00 176.35 175.82 1yt9 s VAL 77 N -1.48 1.36 -1.17 -1.59 1.01 0.44 0.45 120.40 119.42 1yt9 s VAL 77 Ca 0.36 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1yt9 s VAL 77 Cb -0.14 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.02 1yt9 s VAL 77 CO 0.19 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1yt9 n GLY 78 N 3.80 -1.27 1.51 4.51 0.00 -0.68 0.39 105.19 113.44 1yt9 n GLY 78 Ca -0.22 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1yt9 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1yt9 n PRO 79 N 0.00 0.75 -2.04 1.61 -0.04 -1.26 -3.06 135.00 130.95 1yt9 n PRO 79 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1yt9 n PRO 79 Cb 0.00 -1.13 0.02 0.00 -0.04 0.00 0.00 33.50 32.35 1yt9 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1yt9 s THR 80 N 0.46 2.63 -1.13 0.52 -1.32 -1.26 -4.90 115.64 110.63 1yt9 s THR 80 Ca 0.00 0.47 0.26 0.00 -1.21 0.00 0.00 61.69 61.21 1yt9 s THR 80 Cb 0.00 -3.23 0.29 0.00 -1.51 0.00 0.00 72.50 68.05 1yt9 s THR 80 CO 0.00 -0.01 1.85 -0.81 -2.21 0.00 0.00 174.62 173.44 1yt9 n PRO 81 N -0.80 0.12 -3.47 7.08 -0.04 -1.26 -4.71 135.00 131.92 1yt9 n PRO 81 Ca 0.09 0.05 -0.14 0.00 -0.04 0.00 0.00 63.50 63.46 1yt9 n PRO 81 Cb 0.47 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 1yt9 n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1yt9 s VAL 82 N -2.87 0.00 -0.16 0.52 0.11 -1.26 -5.12 120.40 111.62 1yt9 s VAL 82 Ca 0.16 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.92 1yt9 s VAL 82 Cb 0.17 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 1yt9 s VAL 82 CO 0.45 0.00 1.49 0.20 -3.33 0.00 0.00 175.10 173.91 1yt9 s ASN 83 N -2.05 6.66 -0.14 3.54 -0.87 -1.26 -4.77 114.94 116.05 1yt9 s ASN 83 Ca -0.04 1.78 -0.00 0.00 -1.57 0.00 0.00 52.86 53.03 1yt9 s ASN 83 Cb -0.01 -2.53 -0.01 0.00 -0.02 0.00 0.00 41.25 38.68 1yt9 s ASN 83 CO -0.03 -0.99 -0.13 -0.63 -2.57 0.00 0.00 177.10 172.75 1yt9 s ILE 84 N 4.27 3.02 -0.36 0.60 1.01 -0.85 0.10 121.20 128.99 1yt9 s ILE 84 Ca 0.65 -0.67 -0.10 0.00 0.00 0.00 0.00 60.65 60.53 1yt9 s ILE 84 Cb -0.25 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 39.96 1yt9 s ILE 84 CO 0.24 0.52 0.19 -0.63 0.00 0.00 0.00 174.94 175.26 1yt9 s ILE 85 N 0.51 4.56 0.77 2.92 -1.09 -0.95 -1.05 121.20 126.88 1yt9 s ILE 85 Ca -0.09 -0.74 -0.07 0.00 -2.23 0.00 0.00 60.65 57.52 1yt9 s ILE 85 Cb -0.16 -3.49 0.17 0.00 -1.58 0.00 0.00 42.46 37.40 1yt9 s ILE 85 CO 0.04 -0.15 1.05 0.61 -1.23 0.00 0.00 174.94 175.26 1yt9 n GLY 86 N 4.99 -0.33 0.29 6.18 0.00 -1.24 -1.84 105.19 113.23 1yt9 n GLY 86 Ca -0.12 -1.88 0.07 0.00 0.00 0.00 0.00 46.02 44.09 1yt9 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1yt9 h ARG 87 N 0.00 0.26 -0.39 1.61 3.08 -1.23 -1.00 114.38 116.72 1yt9 h ARG 87 Ca -0.34 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 59.72 1yt9 h ARG 87 Cb 1.10 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1yt9 h ARG 87 CO 0.30 0.17 0.26 -2.95 -1.07 0.00 0.00 179.97 176.69 1yt9 h ASN 88 N 0.27 0.35 0.00 7.04 -1.07 -1.83 -0.52 115.58 119.82 1yt9 h ASN 88 Ca 0.09 -0.00 -0.16 0.00 0.07 0.00 0.00 56.30 56.30 1yt9 h ASN 88 Cb 0.04 -0.08 -0.03 0.00 -2.07 0.00 0.00 38.32 36.18 1yt9 h ASN 88 CO -0.02 0.24 -2.11 0.18 0.07 0.00 0.00 177.43 175.79 1yt9 n LEU 89 N -4.48 0.00 -0.13 6.14 4.77 -1.04 -4.33 117.00 117.92 1yt9 n LEU 89 Ca 0.04 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.92 1yt9 n LEU 89 Cb 0.16 0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1yt9 n LEU 89 CO 0.35 0.22 0.82 -0.07 -1.33 0.00 0.00 177.39 177.38 1yt9 h LEU 90 N 0.00 0.61 -1.26 2.23 3.38 -0.87 -2.62 115.31 116.78 1yt9 h LEU 90 Ca -0.24 -0.27 0.11 0.00 0.09 0.00 0.00 57.88 57.57 1yt9 h LEU 90 Cb 1.52 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 42.04 1yt9 h LEU 90 CO 0.01 0.73 0.56 0.71 0.09 0.00 0.00 178.44 180.55 1yt9 h THR 91 N 0.47 0.91 0.57 0.22 1.35 -1.31 -2.04 112.91 113.08 1yt9 h THR 91 Ca 0.11 -0.27 -0.03 0.00 -0.55 0.00 0.00 66.41 65.68 1yt9 h THR 91 Cb 0.39 0.07 0.01 0.00 -1.73 0.00 0.00 68.15 66.88 1yt9 h THR 91 CO 0.01 0.14 -0.28 1.56 -0.25 0.00 0.00 175.52 176.71 1yt9 h GLN 92 N 0.78 -0.74 0.00 4.72 1.08 -1.66 -1.18 115.11 118.11 1yt9 h GLN 92 Ca 0.42 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.67 1yt9 h GLN 92 Cb 0.54 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 1yt9 h GLN 92 CO -0.18 -0.49 0.00 0.44 -0.95 0.00 0.00 178.83 177.65 1yt9 n ILE 93 N -5.42 0.00 -2.38 2.54 -5.35 -0.98 -4.89 119.36 102.89 1yt9 n ILE 93 Ca -0.13 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.31 1yt9 n ILE 93 Cb 0.32 -0.69 0.01 0.00 -1.74 0.00 0.00 39.64 37.54 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 0.14 -1.08 3.44 3.28 0.00 -0.44 -5.06 105.19 105.47 1yt9 n GLY 94 Ca 0.13 0.72 -0.30 0.00 0.00 0.00 0.00 46.02 46.58 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 -1.04 0.07 0.09 0.00 -4.23 -1.26 -4.79 115.64 104.48 1yt9 s THR 96 Ca 0.16 -0.57 -0.10 0.00 -1.18 0.00 0.00 61.69 60.00 1yt9 s THR 96 Cb -0.10 -1.02 -0.06 0.00 1.34 0.00 0.00 72.50 72.65 1yt9 s THR 96 CO 0.07 -0.31 0.40 -0.76 -0.54 0.00 0.00 174.62 173.48 1yt9 s LEU 97 N -2.26 4.34 -0.08 4.79 2.01 -1.26 -5.08 118.68 121.13 1yt9 s LEU 97 Ca -0.03 0.78 -0.08 0.00 0.01 0.00 0.00 54.13 54.82 1yt9 s LEU 97 Cb 0.00 -3.02 0.02 0.00 0.01 0.00 0.00 46.19 43.20 1yt9 s LEU 97 CO -0.05 0.16 0.23 0.20 1.01 0.00 0.00 176.35 177.89 1yt9 s ASN 98 N -1.81 -0.24 0.00 2.29 -0.87 -1.26 -5.29 114.94 107.76 1yt9 s ASN 98 Ca 0.34 0.46 0.00 0.00 -1.57 0.00 0.00 52.86 52.08 1yt9 s ASN 98 Cb -0.14 0.46 0.00 0.00 -0.02 0.00 0.00 41.25 41.55 1yt9 s ASN 98 CO 0.19 -0.08 0.00 2.22 -2.57 0.00 0.00 177.10 176.86