#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o51 s HIS 0 N 0.00 2.04 0.01 4.41 2.46 -1.26 -1.62 115.29 121.32 1o51 s HIS 0 Ca 0.00 1.61 0.07 0.00 0.47 0.00 0.00 55.06 57.21 1o51 s HIS 0 Cb 0.00 -3.20 -0.02 0.00 -0.13 0.00 0.00 32.58 29.23 1o51 s HIS 0 CO 0.00 -2.46 -0.22 0.15 -2.47 0.00 0.00 174.74 169.75 1o51 s LYS 2 N -4.76 1.63 -0.17 2.88 -0.14 -0.67 -4.89 119.74 113.61 1o51 s LYS 2 Ca 0.64 -0.86 -0.13 0.00 -1.36 0.00 0.00 55.97 54.27 1o51 s LYS 2 Cb -0.20 -1.65 -0.05 0.00 -1.68 0.00 0.00 37.83 34.25 1o51 s LYS 2 CO 0.58 0.44 0.24 -1.17 -0.76 0.00 0.00 175.35 174.68 1o51 s LEU 3 N -0.80 4.23 -0.14 3.17 2.96 0.23 -1.43 118.68 126.91 1o51 s LEU 3 Ca 0.08 0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 54.40 1o51 s LEU 3 Cb -0.09 -2.29 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 1o51 s LEU 3 CO 0.00 0.12 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.82 1o51 s LEU 4 N 0.47 2.80 -0.10 -0.68 2.96 0.54 -1.50 118.68 123.18 1o51 s LEU 4 Ca 0.14 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 1o51 s LEU 4 Cb -0.12 -1.64 0.01 0.00 0.50 0.00 0.00 46.19 44.94 1o51 s LEU 4 CO 0.02 0.16 -0.17 -0.75 -1.32 0.00 0.00 176.35 174.29 1o51 s LYS 5 N 0.38 2.33 -0.12 1.98 2.20 0.27 -1.58 119.74 125.20 1o51 s LYS 5 Ca -0.09 -0.62 0.02 0.00 -0.36 0.00 0.00 55.97 54.92 1o51 s LYS 5 Cb -0.16 -1.89 0.01 0.00 -1.51 0.00 0.00 37.83 34.28 1o51 s LYS 5 CO 0.05 0.02 -0.19 0.42 -0.36 0.00 0.00 175.35 175.29 1o51 s ILE 6 N 0.74 1.79 -0.13 5.43 1.01 -0.37 -1.13 121.20 128.53 1o51 s ILE 6 Ca -0.12 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 1o51 s ILE 6 Cb -0.16 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 1o51 s ILE 6 CO 0.02 0.50 -0.10 -0.31 0.00 0.00 0.00 174.94 175.05 1o51 s TYR 7 N 0.82 2.88 0.28 3.97 1.51 0.34 -0.91 117.35 126.24 1o51 s TYR 7 Ca -0.09 -0.48 -0.07 0.00 -1.01 0.00 0.00 57.07 55.43 1o51 s TYR 7 Cb -0.16 -1.86 -0.01 0.00 -0.11 0.00 0.00 41.96 39.82 1o51 s TYR 7 CO -0.00 -0.11 0.42 -0.48 -1.11 0.00 0.00 175.55 174.27 1o51 s LEU 8 N 0.25 0.73 0.24 -1.29 2.34 -0.49 -1.40 118.68 119.06 1o51 s LEU 8 Ca -0.07 -1.23 -0.14 0.00 0.06 0.00 0.00 54.13 52.75 1o51 s LEU 8 Cb -0.15 1.43 -0.08 0.00 -0.56 0.00 0.00 46.19 46.83 1o51 s LEU 8 CO 0.04 -1.16 0.63 -0.83 -1.06 0.00 0.00 176.35 173.97 1o51 s GLY 9 N -3.13 2.39 0.32 -3.48 0.00 -1.26 -0.74 107.32 101.42 1o51 s GLY 9 Ca 0.28 -0.08 0.02 0.00 0.00 0.00 0.00 44.72 44.94 1o51 s GLY 9 CO 0.14 0.15 1.95 -2.09 0.00 0.00 0.00 173.10 173.25 1o51 h GLU 10 N 2.82 0.93 0.00 2.90 4.81 -1.44 -2.31 114.58 122.30 1o51 h GLU 10 Ca -0.48 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1o51 h GLU 10 Cb 1.18 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1o51 h GLU 10 CO 0.67 0.62 0.00 1.63 -0.73 0.00 0.00 179.01 181.19 1o51 n LYS 11 N -4.46 0.29 -1.87 1.92 5.02 -1.26 -4.76 118.16 113.04 1o51 n LYS 11 Ca 0.11 0.07 -0.41 0.00 -2.02 0.00 0.00 58.31 56.06 1o51 n LYS 11 Cb 0.15 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.65 1o51 n LYS 11 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1o51 s ASP 12 N -2.63 6.45 0.06 4.39 1.01 -0.87 -4.97 116.67 120.11 1o51 s ASP 12 Ca 0.20 2.94 0.07 0.00 0.71 0.00 0.00 52.55 56.47 1o51 s ASP 12 Cb 0.15 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 1o51 s ASP 12 CO 0.36 -0.81 -0.20 -0.54 0.21 0.00 0.00 175.17 174.18 1o51 s LYS 13 N -1.52 1.30 -0.18 8.23 -0.14 -1.26 -1.74 119.74 124.43 1o51 s LYS 13 Ca 0.55 -0.98 -0.00 0.00 -1.36 0.00 0.00 55.97 54.18 1o51 s LYS 13 Cb -0.45 -1.44 0.04 0.00 -1.68 0.00 0.00 37.83 34.30 1o51 s LYS 13 CO 0.56 0.36 -0.06 -1.58 -0.76 0.00 0.00 175.35 173.87 1o51 s HIS 14 N -0.88 1.94 -1.19 3.18 5.65 0.17 -4.72 115.29 119.44 1o51 s HIS 14 Ca 0.07 -1.28 -0.01 0.00 0.25 0.00 0.00 55.06 54.10 1o51 s HIS 14 Cb -0.09 -1.42 -0.01 0.00 -1.18 0.00 0.00 32.58 29.88 1o51 s HIS 14 CO 0.02 -0.67 0.96 0.43 -0.65 0.00 0.00 174.74 174.84 1o51 n SER 15 N 4.81 -2.46 0.00 9.88 7.64 -1.26 -2.17 113.62 130.06 1o51 n SER 15 Ca -0.13 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.10 1o51 n SER 15 Cb 0.47 -5.03 0.00 0.00 -1.01 0.00 0.00 64.21 58.64 1o51 n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1o51 n GLY 16 N -1.18 1.28 3.85 0.23 0.00 -1.26 -4.96 105.19 103.15 1o51 n GLY 16 Ca -0.27 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 1o51 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o51 s LYS 17 N 0.00 3.03 0.10 1.61 1.02 -0.92 -4.97 119.74 119.61 1o51 s LYS 17 Ca 0.00 -0.96 -0.31 0.00 0.02 0.00 0.00 55.97 54.72 1o51 s LYS 17 Cb 0.00 -2.65 -0.09 0.00 -0.52 0.00 0.00 37.83 34.58 1o51 s LYS 17 CO 0.00 0.42 1.59 -2.14 -0.92 0.00 0.00 175.35 174.30 1o51 s PRO 18 N -3.75 4.22 0.22 -1.68 0.02 -1.26 0.43 135.00 133.19 1o51 s PRO 18 Ca 0.33 2.30 -0.07 0.00 0.02 0.00 0.00 61.00 63.58 1o51 s PRO 18 Cb -0.08 -3.41 0.18 0.00 0.02 0.00 0.00 34.50 31.20 1o51 s PRO 18 CO 0.26 -0.66 1.74 1.25 -0.33 0.00 0.00 177.00 179.26 1o51 h LEU 19 N 7.78 1.02 -1.03 -5.54 5.85 -1.62 -2.25 115.31 119.52 1o51 h LEU 19 Ca -0.42 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.05 1o51 h LEU 19 Cb 1.20 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 1o51 h LEU 19 CO 0.92 0.98 0.22 2.19 -0.34 0.00 0.00 178.44 182.41 1o51 h PHE 20 N 1.04 0.93 -0.63 1.25 -0.00 -1.88 0.17 116.94 117.81 1o51 h PHE 20 Ca 0.22 -0.06 -0.09 0.00 -0.00 0.00 0.00 57.97 58.04 1o51 h PHE 20 Cb 0.35 -0.28 -0.02 0.00 -0.00 0.00 0.00 35.95 35.99 1o51 h PHE 20 CO 0.03 0.73 0.05 0.93 -0.00 0.00 0.00 178.31 180.05 1o51 h GLU 21 N 0.89 1.07 -0.69 6.09 5.08 -1.90 -1.64 114.58 123.49 1o51 h GLU 21 Ca 0.21 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1o51 h GLU 21 Cb 0.21 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1o51 h GLU 21 CO -0.01 1.02 0.33 -0.92 -1.00 0.00 0.00 179.01 178.42 1o51 h TYR 22 N 0.98 1.00 -0.52 4.33 3.20 -0.78 -1.89 116.97 123.30 1o51 h TYR 22 Ca 0.18 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 1o51 h TYR 22 Cb 0.50 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 1o51 h TYR 22 CO 0.04 0.75 0.31 -0.07 -1.64 0.00 0.00 178.16 177.55 1o51 h LEU 23 N 0.97 0.62 -1.19 2.82 3.38 -0.45 -0.80 115.31 120.65 1o51 h LEU 23 Ca 0.24 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1o51 h LEU 23 Cb 0.13 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1o51 h LEU 23 CO -0.03 0.50 0.01 0.58 0.09 0.00 0.00 178.44 179.59 1o51 h VAL 24 N 0.69 1.20 -0.13 1.22 2.07 -1.21 0.13 116.25 120.22 1o51 h VAL 24 Ca 0.19 -0.80 -0.22 0.00 0.82 0.00 0.00 66.70 66.68 1o51 h VAL 24 Cb -0.01 0.92 0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1o51 h VAL 24 CO -0.03 0.28 -0.79 0.50 0.02 0.00 0.00 177.57 177.55 1o51 h LYS 25 N 0.54 0.77 -0.40 1.57 3.64 -0.97 -1.92 116.57 119.80 1o51 h LYS 25 Ca 0.12 -0.65 -0.03 0.00 -1.27 0.00 0.00 60.65 58.82 1o51 h LYS 25 Cb 0.33 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1o51 h LYS 25 CO 0.01 1.25 0.15 0.00 -2.27 0.00 0.00 179.45 178.59 1o51 h ARG 26 N 0.49 0.60 -0.71 1.90 2.47 -0.86 -0.76 114.38 117.52 1o51 h ARG 26 Ca -0.06 -0.12 0.14 0.00 -1.26 0.00 0.00 59.98 58.69 1o51 h ARG 26 Cb 1.42 -0.09 -0.10 0.00 -1.65 0.00 0.00 29.97 29.55 1o51 h ARG 26 CO 0.16 0.58 0.19 0.00 0.56 0.00 0.00 179.97 181.46 1o51 h ALA 27 N 0.99 0.91 -0.32 0.04 0.00 -0.89 -0.31 119.26 119.68 1o51 h ALA 27 Ca 0.13 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 1o51 h ALA 27 Cb 0.21 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1o51 h ALA 27 CO -0.01 -0.30 -0.19 -0.92 0.00 0.00 0.00 179.25 177.83 1o51 h TYR 28 N 0.30 0.81 -0.36 0.00 3.20 -1.01 -3.05 116.97 116.86 1o51 h TYR 28 Ca 0.39 -0.21 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 1o51 h TYR 28 Cb 0.63 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1o51 h TYR 28 CO -0.24 0.93 0.02 0.93 -1.64 0.00 0.00 178.16 178.16 1o51 h GLU 29 N 0.46 0.55 0.00 1.82 5.08 0.14 -2.49 114.58 120.15 1o51 h GLU 29 Ca 0.07 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1o51 h GLU 29 Cb 0.74 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1o51 h GLU 29 CO 0.05 0.57 0.00 1.28 -1.00 0.00 0.00 179.01 179.91 1o51 n LEU 30 N -4.28 0.00 -0.84 1.33 4.77 -0.25 -5.10 117.00 112.62 1o51 n LEU 30 Ca 0.02 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1o51 n LEU 30 Cb 0.24 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1o51 n LEU 30 CO 0.39 -0.09 -0.01 0.61 -1.33 0.00 0.00 177.39 176.96 1o51 n GLY 31 N 0.39 -3.22 0.04 -0.72 0.00 -0.94 -5.09 105.19 95.65 1o51 n GLY 31 Ca 0.10 -0.64 -0.03 0.00 0.00 0.00 0.00 46.02 45.45 1o51 n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1o51 n LYS 33 N 0.05 1.67 0.00 1.61 5.02 -1.26 -5.07 118.16 120.18 1o51 n LYS 33 Ca 0.00 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1o51 n LYS 33 Cb 0.00 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1o51 n LYS 33 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1o51 n GLY 34 N 2.16 0.18 3.28 0.72 0.00 -1.26 -5.08 105.19 105.19 1o51 n GLY 34 Ca -0.15 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.76 1o51 n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o51 s VAL 35 N -2.00 0.03 -0.06 1.61 0.11 -1.26 -4.37 120.40 114.47 1o51 s VAL 35 Ca 0.00 -0.26 0.03 0.00 -2.93 0.00 0.00 61.98 58.83 1o51 s VAL 35 Cb 0.00 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.23 1o51 s VAL 35 CO 0.00 -0.14 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.59 1o51 s THR 36 N -0.74 1.32 -0.10 5.04 2.01 0.25 -4.98 115.64 118.44 1o51 s THR 36 Ca -0.08 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.32 1o51 s THR 36 Cb -0.04 -1.17 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 1o51 s THR 36 CO 0.03 0.39 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.49 1o51 s VAL 37 N 0.33 2.69 0.18 3.82 1.01 -1.26 -0.71 120.40 126.45 1o51 s VAL 37 Ca -0.10 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.18 1o51 s VAL 37 Cb -0.14 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1o51 s VAL 37 CO 0.03 0.55 -0.22 -0.31 0.00 0.00 0.00 175.10 175.15 1o51 s TYR 38 N 0.12 2.12 -0.15 5.22 1.51 0.30 -4.98 117.35 121.49 1o51 s TYR 38 Ca -0.09 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.59 1o51 s TYR 38 Cb -0.15 -1.06 0.01 0.00 -0.11 0.00 0.00 41.96 40.64 1o51 s TYR 38 CO 0.05 0.42 -0.18 0.50 -1.11 0.00 0.00 175.55 175.23 1o51 s ARG 39 N -2.63 3.11 0.78 -0.62 3.52 -1.26 -1.15 118.95 120.70 1o51 s ARG 39 Ca 0.18 -0.80 -0.09 0.00 -0.13 0.00 0.00 55.73 54.89 1o51 s ARG 39 Cb -0.07 -2.54 0.10 0.00 -1.56 0.00 0.00 34.95 30.87 1o51 s ARG 39 CO 0.08 -0.03 1.11 0.20 -0.81 0.00 0.00 175.30 175.85 1o51 s GLY 40 N 0.88 1.69 0.00 8.12 0.00 -0.65 -5.00 107.32 112.36 1o51 s GLY 40 Ca -0.05 -1.01 0.17 0.00 0.00 0.00 0.00 44.72 43.84 1o51 s GLY 40 CO -0.02 -0.49 1.19 0.29 0.00 0.00 0.00 173.10 174.07 1o51 n ILE 41 N -3.16 0.42 0.00 0.90 -5.35 -1.26 -4.39 119.36 106.52 1o51 n ILE 41 Ca 0.10 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 1o51 n ILE 41 Cb 0.60 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.50 1o51 n ILE 41 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1o51 n GLY 43 N 1.01 3.08 3.25 3.28 0.00 -1.26 -5.00 105.19 109.56 1o51 n GLY 43 Ca 0.13 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 1o51 n GLY 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1o51 s PHE 44 N -2.00 -0.03 0.00 1.61 -0.12 -1.26 -4.99 117.98 111.19 1o51 s PHE 44 Ca 0.00 -0.30 0.00 0.00 -0.05 0.00 0.00 56.93 56.58 1o51 s PHE 44 Cb 0.00 0.09 0.00 0.00 -0.63 0.00 0.00 43.02 42.48 1o51 s PHE 44 CO 0.00 -0.59 0.00 0.41 -0.05 0.00 0.00 175.22 174.99 1o51 n GLY 45 N 0.02 5.61 0.00 1.99 0.00 -1.26 -5.15 105.19 106.40 1o51 n GLY 45 Ca -0.16 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1o51 n GLY 45 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1o51 n HIS 46 N 0.00 0.00 -1.69 1.61 8.25 -1.26 -5.14 115.22 116.99 1o51 n HIS 46 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 1o51 n HIS 46 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1o51 n HIS 46 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1o51 n PRO 60 N 0.00 2.76 -3.87 -0.41 -0.05 -1.26 -4.98 135.00 127.19 1o51 n PRO 60 Ca 0.00 1.01 -0.34 0.00 -0.05 0.00 0.00 63.50 64.12 1o51 n PRO 60 Cb 0.00 -2.90 -0.13 0.00 -0.05 0.00 0.00 33.50 30.42 1o51 n PRO 60 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 175.50 175.79 1o51 s ASP 61 N 2.87 5.04 0.23 3.54 2.15 -1.26 -4.89 116.67 124.36 1o51 s ASP 61 Ca 0.83 -2.17 -0.05 0.00 0.43 0.00 0.00 52.55 51.59 1o51 s ASP 61 Cb -0.49 -1.75 -0.06 0.00 -0.30 0.00 0.00 42.92 40.32 1o51 s ASP 61 CO 0.38 -0.46 0.49 -0.76 -0.17 0.00 0.00 175.17 174.65 1o51 s LEU 62 N 0.92 4.15 0.38 -1.34 1.43 -1.26 -4.80 118.68 118.16 1o51 s LEU 62 Ca 0.10 0.69 -0.28 0.00 -1.03 0.00 0.00 54.13 53.62 1o51 s LEU 62 Cb -0.21 -3.47 -0.10 0.00 0.03 0.00 0.00 46.19 42.43 1o51 s LEU 62 CO -0.05 -0.10 1.43 -2.84 0.23 0.00 0.00 176.35 175.02 1o51 s PRO 63 N -3.17 4.08 -0.09 1.29 0.02 -1.26 -1.17 135.00 134.70 1o51 s PRO 63 Ca 0.43 2.46 0.03 0.00 0.02 0.00 0.00 61.00 63.94 1o51 s PRO 63 Cb -0.11 -2.93 -0.01 0.00 0.02 0.00 0.00 34.50 31.47 1o51 s PRO 63 CO 0.27 -0.51 -0.17 0.42 -0.33 0.00 0.00 177.00 176.67 1o51 s ILE 64 N -1.15 2.69 -0.09 2.83 -1.09 0.08 -1.64 121.20 122.84 1o51 s ILE 64 Ca 0.54 -0.81 0.03 0.00 -2.23 0.00 0.00 60.65 58.17 1o51 s ILE 64 Cb -0.44 -2.07 0.00 0.00 -1.58 0.00 0.00 42.46 38.37 1o51 s ILE 64 CO 0.59 0.55 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.97 1o51 s VAL 65 N 0.01 1.77 -0.11 2.92 1.01 -0.30 -1.39 120.40 124.31 1o51 s VAL 65 Ca -0.06 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1o51 s VAL 65 Cb -0.15 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1o51 s VAL 65 CO 0.05 0.50 -0.02 -0.76 0.00 0.00 0.00 175.10 174.86 1o51 s LEU 66 N 0.48 3.38 -0.10 3.92 1.02 -0.09 -0.54 118.68 126.75 1o51 s LEU 66 Ca -0.17 0.01 0.04 0.00 0.02 0.00 0.00 54.13 54.03 1o51 s LEU 66 Cb -0.17 -1.78 -0.00 0.00 0.02 0.00 0.00 46.19 44.25 1o51 s LEU 66 CO 0.07 0.29 -0.23 -1.61 0.02 0.00 0.00 176.35 174.89 1o51 s GLU 67 N -0.36 3.06 -0.12 1.70 2.02 0.11 -1.24 118.70 123.87 1o51 s GLU 67 Ca 0.06 -0.86 0.02 0.00 0.02 0.00 0.00 54.97 54.20 1o51 s GLU 67 Cb -0.12 -2.32 0.02 0.00 0.10 0.00 0.00 34.13 31.80 1o51 s GLU 67 CO 0.02 0.19 -0.16 0.42 0.02 0.00 0.00 175.26 175.75 1o51 s ILE 68 N 0.32 1.59 -0.26 -1.63 1.01 -0.62 -0.58 121.20 121.03 1o51 s ILE 68 Ca -0.18 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 59.73 1o51 s ILE 68 Cb -0.18 -1.45 -0.00 0.00 0.01 0.00 0.00 42.46 40.84 1o51 s ILE 68 CO 0.09 0.46 0.04 -0.69 0.00 0.00 0.00 174.94 174.84 1o51 s VAL 69 N 1.06 3.86 0.31 2.92 1.01 -1.26 -0.34 120.40 127.95 1o51 s VAL 69 Ca -0.04 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 1o51 s VAL 69 Cb -0.15 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.37 1o51 s VAL 69 CO -0.03 0.23 0.62 -0.62 0.00 0.00 0.00 175.10 175.30 1o51 s ASP 70 N 1.51 0.05 0.46 3.32 -1.08 -0.51 -4.57 116.67 115.85 1o51 s ASP 70 Ca 0.04 -0.99 -0.25 0.00 -0.52 0.00 0.00 52.55 50.84 1o51 s ASP 70 Cb -0.16 0.71 -0.08 0.00 -1.46 0.00 0.00 42.92 41.93 1o51 s ASP 70 CO 0.01 -1.37 1.39 -0.62 0.52 0.00 0.00 175.17 175.10 1o51 n GLU 71 N -0.47 2.08 -0.32 4.34 -0.58 -1.26 -1.67 120.64 122.76 1o51 n GLU 71 Ca -0.04 0.75 0.12 0.00 -0.42 0.00 0.00 57.16 57.57 1o51 n GLU 71 Cb 0.61 -2.57 0.30 0.00 -0.57 0.00 0.00 31.44 29.21 1o51 n GLU 71 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1o51 h GLU 72 N 2.09 0.57 -0.43 3.49 4.81 -1.90 -1.21 114.58 121.99 1o51 h GLU 72 Ca -0.50 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.62 1o51 h GLU 72 Cb 1.28 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1o51 h GLU 72 CO 0.60 0.38 -0.03 0.93 -0.73 0.00 0.00 179.01 180.16 1o51 h GLU 73 N 0.59 0.72 -0.31 1.92 4.39 -1.99 0.30 114.58 120.21 1o51 h GLU 73 Ca 0.56 -0.20 -0.09 0.00 0.34 0.00 0.00 59.36 59.97 1o51 h GLU 73 Cb 0.95 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 1o51 h GLU 73 CO -0.44 0.76 -0.16 0.00 -1.16 0.00 0.00 179.01 178.00 1o51 h ARG 74 N 0.67 0.65 -0.50 2.33 3.08 -1.61 -1.68 114.38 117.32 1o51 h ARG 74 Ca 0.13 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 59.89 1o51 h ARG 74 Cb 0.46 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 1o51 h ARG 74 CO 0.02 0.88 0.33 0.82 -1.07 0.00 0.00 179.97 180.95 1o51 h ILE 75 N 0.41 1.12 -0.86 2.04 5.03 -1.13 -0.96 117.51 123.15 1o51 h ILE 75 Ca 0.07 -0.23 0.06 0.00 -0.12 0.00 0.00 64.86 64.64 1o51 h ILE 75 Cb 0.70 0.39 -0.05 0.00 -3.03 0.00 0.00 36.82 34.82 1o51 h ILE 75 CO 0.05 0.12 0.56 0.78 -0.68 0.00 0.00 178.15 178.98 1o51 h ASN 76 N 0.67 0.86 -0.29 1.72 2.35 -0.76 0.14 115.58 120.28 1o51 h ASN 76 Ca 0.19 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.86 1o51 h ASN 76 Cb -0.07 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 1o51 h ASN 76 CO -0.05 0.56 -0.12 0.25 -1.65 0.00 0.00 177.43 176.43 1o51 h LEU 77 N 0.98 0.60 -0.71 1.61 5.85 -0.41 -2.22 115.31 121.01 1o51 h LEU 77 Ca 0.37 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1o51 h LEU 77 Cb 0.18 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1o51 h LEU 77 CO -0.13 0.86 0.45 0.15 -0.34 0.00 0.00 178.44 179.43 1o51 h PHE 78 N 0.33 0.85 -0.96 1.25 3.57 -0.77 -2.30 116.94 118.92 1o51 h PHE 78 Ca 0.07 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.68 1o51 h PHE 78 Cb 0.63 -0.28 -0.08 0.00 2.79 0.00 0.00 35.95 39.01 1o51 h PHE 78 CO 0.06 0.50 0.60 -0.07 -2.23 0.00 0.00 178.31 177.17 1o51 h LEU 79 N 0.89 0.91 -1.44 0.59 3.38 -0.35 -1.39 115.31 117.91 1o51 h LEU 79 Ca 0.28 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 1o51 h LEU 79 Cb -0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1o51 h LEU 79 CO -0.10 0.53 0.06 0.11 0.09 0.00 0.00 178.44 179.13 1o51 h LYS 80 N 1.01 0.43 0.11 1.13 6.56 -0.82 -1.93 116.57 123.06 1o51 h LYS 80 Ca 0.45 -0.07 -0.01 0.00 -1.06 0.00 0.00 60.65 59.97 1o51 h LYS 80 Cb 0.34 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 1o51 h LYS 80 CO -0.23 0.41 -0.05 0.93 -2.06 0.00 0.00 179.45 178.45 1o51 h GLU 81 N 0.42 -0.14 -0.67 3.15 5.08 -1.23 -3.22 114.58 117.97 1o51 h GLU 81 Ca 0.10 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.66 1o51 h GLU 81 Cb 0.19 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1o51 h GLU 81 CO -0.00 0.27 0.68 0.82 -1.00 0.00 0.00 179.01 179.78 1o51 h ILE 82 N -0.60 0.30 -0.49 3.13 2.04 -0.82 -2.46 117.51 118.60 1o51 h ILE 82 Ca -0.01 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.77 1o51 h ILE 82 Cb 0.48 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1o51 h ILE 82 CO 0.02 0.00 0.02 -0.78 0.00 0.00 0.00 178.15 177.41 1o51 h ASP 83 N 0.00 0.84 0.26 1.72 3.58 -1.37 -2.35 116.42 119.10 1o51 h ASP 83 Ca 0.32 -0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1o51 h ASP 83 Cb 1.67 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.49 1o51 h ASP 83 CO -0.00 0.93 0.00 0.59 -2.88 0.00 0.00 179.24 177.88 1o51 n ASN 84 N -4.35 0.00 -4.67 2.28 4.13 -0.92 -4.67 115.26 107.05 1o51 n ASN 84 Ca 0.01 0.35 -0.36 0.00 1.68 0.00 0.00 54.58 56.26 1o51 n ASN 84 Cb 0.30 -0.41 -0.09 0.00 -1.54 0.00 0.00 39.78 38.04 1o51 n ASN 84 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1o51 s ILE 85 N -2.82 5.36 -0.58 2.41 1.01 -0.88 -5.06 121.20 120.64 1o51 s ILE 85 Ca 0.06 0.21 -0.26 0.00 0.00 0.00 0.00 60.65 60.66 1o51 s ILE 85 Cb 0.06 -3.51 0.04 0.00 0.01 0.00 0.00 42.46 39.06 1o51 s ILE 85 CO 0.16 0.36 1.07 1.51 0.00 0.00 0.00 174.94 178.03 1o51 s ASP 86 N 0.92 6.37 0.13 3.58 1.47 -1.26 -5.00 116.67 122.89 1o51 s ASP 86 Ca 0.08 -0.20 -0.02 0.00 1.18 0.00 0.00 52.55 53.59 1o51 s ASP 86 Cb -0.13 -2.49 -0.03 0.00 -0.34 0.00 0.00 42.92 39.92 1o51 s ASP 86 CO 0.03 -1.38 0.09 0.72 0.68 0.00 0.00 175.17 175.32 1o51 s PHE 87 N 4.47 0.77 0.00 2.11 -0.12 -1.26 -5.01 117.98 118.93 1o51 s PHE 87 Ca 0.35 -1.14 0.00 0.00 -0.05 0.00 0.00 56.93 56.09 1o51 s PHE 87 Cb -0.10 -0.40 0.00 0.00 -0.63 0.00 0.00 43.02 41.89 1o51 s PHE 87 CO 0.21 -0.55 0.00 -0.40 -0.05 0.00 0.00 175.22 174.43 1o51 n ASP 88 N -0.11 0.00 0.00 1.98 3.85 -1.26 -4.99 116.55 116.02 1o51 n ASP 88 Ca -0.06 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.02 1o51 n ASP 88 Cb 0.63 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.40 1o51 n ASP 88 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1o51 n GLY 89 N 4.02 1.94 3.59 6.12 0.00 -1.26 -4.85 105.19 114.75 1o51 n GLY 89 Ca 0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 1o51 n GLY 89 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1o51 s LEU 90 N 0.00 -0.67 -0.08 0.99 2.96 -0.50 -4.85 118.68 116.54 1o51 s LEU 90 Ca 0.00 1.29 0.02 0.00 -0.22 0.00 0.00 54.13 55.22 1o51 s LEU 90 Cb 0.00 2.42 0.01 0.00 0.50 0.00 0.00 46.19 49.13 1o51 s LEU 90 CO 0.00 -0.30 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.91 1o51 s VAL 91 N 0.11 1.19 0.05 1.68 1.01 -1.26 -0.50 120.40 122.68 1o51 s VAL 91 Ca -0.02 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1o51 s VAL 91 Cb -0.04 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1o51 s VAL 91 CO 0.02 0.37 -0.03 0.72 0.00 0.00 0.00 175.10 176.18 1o51 s PHE 92 N 0.80 0.53 0.31 5.22 -0.12 -0.29 -4.99 117.98 119.44 1o51 s PHE 92 Ca -0.12 -1.03 0.09 0.00 -0.05 0.00 0.00 56.93 55.82 1o51 s PHE 92 Cb -0.15 -0.39 -0.06 0.00 -0.63 0.00 0.00 43.02 41.79 1o51 s PHE 92 CO 0.02 -0.35 -0.11 0.95 -0.05 0.00 0.00 175.22 175.68 1o51 s THR 93 N -3.77 2.12 -0.01 -4.49 -4.23 -1.26 -0.56 115.64 103.44 1o51 s THR 93 Ca 0.06 -2.22 -0.26 0.00 -1.18 0.00 0.00 61.69 58.09 1o51 s THR 93 Cb 0.07 -2.52 0.06 0.00 1.34 0.00 0.00 72.50 71.45 1o51 s THR 93 CO -0.09 -0.27 0.59 0.00 -0.54 0.00 0.00 174.62 174.30 1o51 s ALA 94 N -2.70 -1.52 0.10 3.99 0.00 -0.56 -4.98 121.76 116.09 1o51 s ALA 94 Ca 0.31 0.97 -0.26 0.00 0.00 0.00 0.00 51.96 52.98 1o51 s ALA 94 Cb 0.01 0.14 -0.06 0.00 0.00 0.00 0.00 23.12 23.21 1o51 s ALA 94 CO 0.15 -0.40 0.82 -0.51 0.00 0.00 0.00 175.76 175.81 1o51 s ASP 95 N -1.46 7.34 0.15 0.00 1.01 -1.26 -0.60 116.67 121.85 1o51 s ASP 95 Ca -0.10 1.60 0.01 0.00 0.71 0.00 0.00 52.55 54.77 1o51 s ASP 95 Cb -0.01 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 1o51 s ASP 95 CO 0.05 0.05 0.01 0.68 0.21 0.00 0.00 175.17 176.18 1o51 s VAL 96 N -0.38 0.48 -0.27 -1.27 -7.23 -1.26 -4.88 120.40 105.59 1o51 s VAL 96 Ca 0.40 -1.95 -0.02 0.00 -1.81 0.00 0.00 61.98 58.60 1o51 s VAL 96 Cb -0.22 -2.03 0.03 0.00 0.56 0.00 0.00 36.38 34.72 1o51 s VAL 96 CO 0.26 -0.53 -0.02 0.21 -0.31 0.00 0.00 175.10 174.70 1o51 s ASN 97 N -3.11 4.59 0.07 4.85 2.47 -1.26 -4.43 114.94 118.12 1o51 s ASN 97 Ca 0.22 -0.98 -0.28 0.00 0.42 0.00 0.00 52.86 52.24 1o51 s ASN 97 Cb 0.07 -1.70 -0.05 0.00 -1.45 0.00 0.00 41.25 38.11 1o51 s ASN 97 CO 0.02 -0.18 0.87 -0.69 -3.72 0.00 0.00 177.10 173.40 1o51 s VAL 98 N 1.32 4.65 -0.16 -5.21 1.01 -0.64 -4.93 120.40 116.44 1o51 s VAL 98 Ca -0.01 1.86 -0.07 0.00 0.00 0.00 0.00 61.98 63.75 1o51 s VAL 98 Cb -0.18 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1o51 s VAL 98 CO -0.03 0.32 0.10 -0.69 0.00 0.00 0.00 175.10 174.80 1o51 s VAL 99 N 0.10 5.11 -2.28 2.92 1.01 -1.26 -3.83 120.40 122.16 1o51 s VAL 99 Ca 0.43 0.07 0.30 0.00 0.00 0.00 0.00 61.98 62.78 1o51 s VAL 99 Cb -0.22 -3.27 0.71 0.00 0.00 0.00 0.00 36.38 33.60 1o51 s VAL 99 CO 0.26 0.52 1.96 0.29 0.00 0.00 0.00 175.10 178.13