#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s04 s GLU 2 N 0.00 0.80 0.17 0.03 2.12 -1.26 -4.62 118.70 115.93 1s04 s GLU 2 Ca 0.00 -1.23 0.11 0.00 0.36 0.00 0.00 54.97 54.21 1s04 s GLU 2 Cb 0.00 -0.27 -0.04 0.00 0.26 0.00 0.00 34.13 34.08 1s04 s GLU 2 CO 0.00 0.01 -0.24 -1.58 -0.54 0.00 0.00 175.26 172.91 1s04 s TRP 3 N -3.12 2.19 0.11 5.30 0.52 -0.61 -5.03 118.94 118.30 1s04 s TRP 3 Ca 0.08 -0.38 -0.02 0.00 0.02 0.00 0.00 56.10 55.79 1s04 s TRP 3 Cb 0.02 -1.12 -0.03 0.00 -1.15 0.00 0.00 33.47 31.19 1s04 s TRP 3 CO -0.03 0.41 0.07 -2.00 0.02 0.00 0.00 176.95 175.42 1s04 s GLU 4 N -2.46 0.88 0.00 4.98 2.12 -1.26 0.20 118.70 123.15 1s04 s GLU 4 Ca 0.17 -1.33 0.00 0.00 0.36 0.00 0.00 54.97 54.17 1s04 s GLU 4 Cb -0.08 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.56 1s04 s GLU 4 CO 0.08 -0.24 0.00 -1.33 -0.54 0.00 0.00 175.26 173.22 1s04 n MET 5 N -0.06 0.00 -3.69 4.30 2.81 0.52 -4.76 117.12 116.23 1s04 n MET 5 Ca -0.08 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.68 1s04 n MET 5 Cb 0.63 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 33.05 1s04 n MET 5 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1s04 s GLY 6 N -0.87 -0.40 0.15 3.03 0.00 -1.26 -0.91 107.32 107.05 1s04 s GLY 6 Ca 0.00 1.53 -0.25 0.00 0.00 0.00 0.00 44.72 46.00 1s04 s GLY 6 CO 0.00 1.36 0.92 0.48 0.00 0.00 0.00 173.10 175.86 1s04 s LEU 7 N 0.43 -0.22 0.85 0.66 2.34 -1.26 -4.90 118.68 116.57 1s04 s LEU 7 Ca -0.01 -0.36 -0.10 0.00 0.06 0.00 0.00 54.13 53.71 1s04 s LEU 7 Cb -0.04 2.21 0.10 0.00 -0.56 0.00 0.00 46.19 47.90 1s04 s LEU 7 CO -0.01 -0.91 1.12 -1.58 -1.06 0.00 0.00 176.35 173.90 1s04 s GLN 8 N -3.34 1.60 0.17 1.48 0.74 -1.26 -4.76 119.66 114.29 1s04 s GLN 8 Ca 0.11 1.36 -0.14 0.00 0.05 0.00 0.00 55.36 56.74 1s04 s GLN 8 Cb -0.02 -1.81 0.12 0.00 1.10 0.00 0.00 33.01 32.40 1s04 s GLN 8 CO 0.01 -2.16 1.77 1.49 -0.55 0.00 0.00 175.29 175.84 1s04 h GLU 9 N -1.52 0.38 -0.05 1.67 4.81 -2.02 0.70 114.58 118.55 1s04 h GLU 9 Ca -0.43 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 58.81 1s04 h GLU 9 Cb 1.25 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.50 1s04 h GLU 9 CO 0.46 0.25 -0.21 0.93 -0.73 0.00 0.00 179.01 179.71 1s04 h GLU 10 N 0.39 -0.30 -0.35 1.92 5.08 -2.00 -0.18 114.58 119.15 1s04 h GLU 10 Ca 0.21 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1s04 h GLU 10 Cb 0.16 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1s04 h GLU 10 CO -0.18 -0.20 0.23 0.74 -1.00 0.00 0.00 179.01 178.61 1s04 h PHE 11 N -0.31 0.42 -0.69 4.33 -1.00 -1.80 -0.46 116.94 117.43 1s04 h PHE 11 Ca 0.08 0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.82 1s04 h PHE 11 Cb 0.41 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.80 1s04 h PHE 11 CO -0.28 0.26 0.24 -0.07 -1.61 0.00 0.00 178.31 176.85 1s04 h LEU 12 N 0.45 0.98 -0.81 1.54 3.38 0.57 -2.27 115.31 119.16 1s04 h LEU 12 Ca 0.13 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1s04 h LEU 12 Cb -0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1s04 h LEU 12 CO -0.03 0.92 -0.52 1.05 0.09 0.00 0.00 178.44 179.95 1s04 h GLU 13 N 1.00 0.20 -0.66 1.13 4.11 0.12 -3.01 114.58 117.48 1s04 h GLU 13 Ca 0.23 -0.12 0.11 0.00 0.07 0.00 0.00 59.36 59.65 1s04 h GLU 13 Cb 0.27 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.44 1s04 h GLU 13 CO -0.01 0.67 0.23 -0.07 0.07 0.00 0.00 179.01 179.90 1s04 h LEU 14 N 0.16 0.19 -0.48 3.06 3.38 -0.54 0.54 115.31 121.62 1s04 h LEU 14 Ca 0.00 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1s04 h LEU 14 Cb 0.97 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1s04 h LEU 14 CO 0.08 0.09 0.30 0.40 0.09 0.00 0.00 178.44 179.41 1s04 h ILE 15 N 0.38 1.09 -0.86 1.22 5.03 -1.38 0.20 117.51 123.18 1s04 h ILE 15 Ca 0.34 -0.21 0.19 0.00 -0.12 0.00 0.00 64.86 65.07 1s04 h ILE 15 Cb 0.48 0.42 -0.06 0.00 -3.03 0.00 0.00 36.82 34.63 1s04 h ILE 15 CO -0.36 0.11 0.58 0.11 -0.68 0.00 0.00 178.15 177.90 1s04 h LYS 16 N 0.61 0.38 0.00 2.37 1.57 -0.92 1.06 116.57 121.64 1s04 h LYS 16 Ca 0.18 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1s04 h LYS 16 Cb -0.03 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1s04 h LYS 16 CO -0.06 0.25 -0.46 -0.07 -0.57 0.00 0.00 179.45 178.54 1s04 h LEU 17 N 0.39 0.00 0.00 2.94 3.38 -0.07 -3.14 115.31 118.81 1s04 h LEU 17 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 1s04 h LEU 17 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1s04 h LEU 17 CO -0.15 0.13 0.00 0.54 0.09 0.00 0.00 178.44 179.05 1s04 n ARG 18 N -3.00 0.71 0.05 1.13 1.74 0.36 -2.60 116.66 115.06 1s04 n ARG 18 Ca 0.02 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.19 1s04 n ARG 18 Cb 0.60 -1.48 0.41 0.00 -1.02 0.00 0.00 32.46 30.96 1s04 n ARG 18 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1s04 n LYS 19 N -0.98 0.09 0.00 5.56 0.00 -0.96 -2.15 118.16 119.71 1s04 n LYS 19 Ca 0.17 0.28 0.00 0.00 0.00 0.00 0.00 58.31 58.76 1s04 n LYS 19 Cb 0.08 -1.65 0.00 0.00 0.00 0.00 0.00 35.03 33.45 1s04 n LYS 19 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1s04 n LYS 20 N -1.81 -0.04 0.00 1.64 4.76 -1.07 -4.97 118.16 116.67 1s04 n LYS 20 Ca 0.03 -0.57 0.00 0.00 -2.87 0.00 0.00 58.31 54.91 1s04 n LYS 20 Cb 0.22 -0.86 0.00 0.00 -1.84 0.00 0.00 35.03 32.55 1s04 n LYS 20 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1s04 n LYS 21 N -0.09 0.00 -3.80 1.97 5.02 -0.91 -5.06 118.16 115.29 1s04 n LYS 21 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1s04 n LYS 21 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.14 1s04 n LYS 21 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1s04 s ILE 22 N 2.55 0.00 -0.18 -0.18 -1.09 0.27 -4.94 121.20 117.62 1s04 s ILE 22 Ca 0.00 -0.59 -0.04 0.00 -2.23 0.00 0.00 60.65 57.79 1s04 s ILE 22 Cb 0.00 -2.38 0.08 0.00 -1.58 0.00 0.00 42.46 38.57 1s04 s ILE 22 CO 0.00 0.00 0.18 -0.70 -1.23 0.00 0.00 174.94 173.19 1s04 s GLU 23 N -2.72 0.14 0.36 2.79 2.12 -1.25 -4.14 118.70 116.00 1s04 s GLU 23 Ca 0.17 0.18 0.05 0.00 0.36 0.00 0.00 54.97 55.73 1s04 s GLU 23 Cb -0.01 -1.25 -0.01 0.00 0.26 0.00 0.00 34.13 33.12 1s04 s GLU 23 CO 0.03 -0.61 0.51 0.20 -0.54 0.00 0.00 175.26 174.85 1s04 s GLY 24 N 2.27 1.61 0.00 -1.50 0.00 -1.26 -1.53 107.32 106.91 1s04 s GLY 24 Ca 0.05 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.37 1s04 s GLY 24 CO -0.10 -1.29 0.00 -2.13 0.00 0.00 0.00 173.10 169.58 1s04 n ARG 25 N -1.74 0.00 -1.40 2.90 0.63 -1.04 -4.92 116.66 111.08 1s04 n ARG 25 Ca 0.01 0.00 -0.55 0.00 -0.92 0.00 0.00 57.85 56.39 1s04 n ARG 25 Cb 0.58 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.41 1s04 n ARG 25 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1s04 n LEU 26 N 0.00 0.31 -4.58 6.15 7.94 -1.26 -3.52 117.00 122.03 1s04 n LEU 26 Ca 0.00 1.04 -0.41 0.00 -1.11 0.00 0.00 56.01 55.53 1s04 n LEU 26 Cb 0.00 -0.81 -0.03 0.00 0.53 0.00 0.00 43.42 43.11 1s04 n LEU 26 CO 0.00 -1.43 1.69 -0.47 -1.11 0.00 0.00 177.39 176.07 1s04 s TYR 27 N 0.77 1.53 0.00 1.96 5.04 -1.25 -4.86 117.35 120.54 1s04 s TYR 27 Ca 0.85 0.78 0.00 0.00 -2.44 0.00 0.00 57.07 56.26 1s04 s TYR 27 Cb -1.19 -3.99 0.00 0.00 0.35 0.00 0.00 41.96 37.12 1s04 s TYR 27 CO 0.57 -3.02 0.00 -0.25 -1.34 0.00 0.00 175.55 171.52 1s04 n ASP 28 N 11.91 0.44 0.06 4.32 8.00 -1.26 -4.89 116.55 135.12 1s04 n ASP 28 Ca 0.26 -0.10 -0.21 0.00 0.71 0.00 0.00 54.79 55.46 1s04 n ASP 28 Cb 0.49 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.47 1s04 n ASP 28 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1s04 h GLU 29 N 0.00 0.67 -0.59 -1.24 4.39 -1.99 -2.49 114.58 113.32 1s04 h GLU 29 Ca 0.00 -0.77 -0.09 0.00 0.34 0.00 0.00 59.36 58.83 1s04 h GLU 29 Cb 0.00 0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1s04 h GLU 29 CO 0.00 1.34 0.00 0.87 -1.16 0.00 0.00 179.01 180.06 1s04 h LYS 30 N 0.34 1.03 -0.04 2.33 1.57 -1.98 -2.29 116.57 117.53 1s04 h LYS 30 Ca -0.15 -0.32 -0.07 0.00 -1.87 0.00 0.00 60.65 58.25 1s04 h LYS 30 Cb 1.75 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.96 1s04 h LYS 30 CO 0.21 1.01 -0.29 0.00 -0.57 0.00 0.00 179.45 179.81 1s04 h ARG 31 N 0.95 0.06 -0.50 3.15 2.47 -1.92 -2.28 114.38 116.31 1s04 h ARG 31 Ca 0.17 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.84 1s04 h ARG 31 Cb 0.54 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.83 1s04 h ARG 31 CO 0.03 0.35 0.16 0.00 0.56 0.00 0.00 179.97 181.08 1s04 h ARG 32 N 0.06 0.72 0.00 0.04 3.08 -0.93 -1.46 114.38 115.89 1s04 h ARG 32 Ca 0.01 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 1s04 h ARG 32 Cb 0.55 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1s04 h ARG 32 CO 0.04 0.62 -0.43 0.37 -1.07 0.00 0.00 179.97 179.51 1s04 h GLN 33 N 0.71 0.00 -6.68 0.04 4.15 -1.24 -3.44 115.11 108.66 1s04 h GLN 33 Ca 0.17 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 59.06 1s04 h GLN 33 Cb 0.20 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.92 1s04 h GLN 33 CO -0.01 0.43 0.63 0.42 -1.93 0.00 0.00 178.83 178.37 1s04 s ILE 34 N -3.47 3.28 0.24 2.39 1.01 -0.55 -5.02 121.20 119.08 1s04 s ILE 34 Ca 0.01 1.06 -0.06 0.00 0.00 0.00 0.00 60.65 61.66 1s04 s ILE 34 Cb 0.10 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 1s04 s ILE 34 CO 0.70 0.16 0.32 -1.59 0.00 0.00 0.00 174.94 174.54 1s04 s LYS 35 N -0.16 1.45 -0.41 2.79 -2.85 -1.26 -4.97 119.74 114.33 1s04 s LYS 35 Ca 0.56 -1.49 -0.29 0.00 -1.00 0.00 0.00 55.97 53.75 1s04 s LYS 35 Cb -0.36 0.38 0.01 0.00 -2.06 0.00 0.00 37.83 35.80 1s04 s LYS 35 CO 0.38 -0.55 1.41 -1.25 0.10 0.00 0.00 175.35 175.44 1s04 s PRO 36 N -3.95 3.58 0.00 1.78 0.04 -1.26 -4.11 135.00 131.08 1s04 s PRO 36 Ca 0.31 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1s04 s PRO 36 Cb 0.03 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1s04 s PRO 36 CO 0.12 -1.55 0.00 0.41 0.04 0.00 0.00 177.00 176.02 1s04 n GLY 37 N 5.05 0.44 3.83 0.56 0.00 -1.24 -5.01 105.19 108.81 1s04 n GLY 37 Ca 0.16 -0.23 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 1s04 n GLY 37 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1s04 s ASP 38 N 0.00 -0.09 -0.01 1.61 1.47 -1.26 -5.04 116.67 113.35 1s04 s ASP 38 Ca 0.00 -0.79 0.02 0.00 1.18 0.00 0.00 52.55 52.97 1s04 s ASP 38 Cb 0.00 0.68 -0.00 0.00 -0.34 0.00 0.00 42.92 43.26 1s04 s ASP 38 CO 0.00 -1.32 -0.07 -0.69 0.68 0.00 0.00 175.17 173.77 1s04 s VAL 39 N -2.84 0.57 0.01 2.11 1.01 -1.26 -2.01 120.40 117.99 1s04 s VAL 39 Ca 0.15 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.87 1s04 s VAL 39 Cb -0.04 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 1s04 s VAL 39 CO 0.07 0.17 -0.09 -0.63 0.00 0.00 0.00 175.10 174.62 1s04 s ILE 40 N -0.10 3.48 0.06 2.22 1.01 0.20 -1.57 121.20 126.50 1s04 s ILE 40 Ca 0.02 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 59.88 1s04 s ILE 40 Cb -0.04 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1s04 s ILE 40 CO -0.00 0.39 -0.07 -0.55 0.00 0.00 0.00 174.94 174.70 1s04 s SER 41 N -1.40 4.56 -0.06 3.58 0.15 0.52 -0.54 113.70 120.52 1s04 s SER 41 Ca 0.16 -0.26 0.03 0.00 0.70 0.00 0.00 55.95 56.58 1s04 s SER 41 Cb -0.11 -0.98 0.01 0.00 -1.71 0.00 0.00 66.02 63.23 1s04 s SER 41 CO 0.07 0.22 -0.13 -0.36 1.20 0.00 0.00 173.24 174.24 1s04 s PHE 42 N -1.14 1.45 -1.48 3.44 0.08 -0.45 0.19 117.98 120.06 1s04 s PHE 42 Ca 0.20 -0.50 -0.07 0.00 0.12 0.00 0.00 56.93 56.68 1s04 s PHE 42 Cb -0.11 -1.05 0.02 0.00 -0.57 0.00 0.00 43.02 41.31 1s04 s PHE 42 CO 0.12 -0.25 0.79 0.39 -0.10 0.00 0.00 175.22 176.17 1s04 n GLU 43 N 3.68 -5.69 0.00 0.44 -0.58 -0.09 -0.93 120.64 117.46 1s04 n GLU 43 Ca -0.22 0.83 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 1s04 n GLU 43 Cb 0.52 -5.74 0.00 0.00 -0.57 0.00 0.00 31.44 25.65 1s04 n GLU 43 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s04 n GLY 44 N -1.65 2.21 0.83 0.62 0.00 -1.26 -3.86 105.19 102.08 1s04 n GLY 44 Ca -0.06 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 1s04 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s04 n GLY 45 N 0.00 -0.04 0.14 -0.02 0.00 -1.11 -4.90 105.19 99.27 1s04 n GLY 45 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1s04 n GLY 45 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1s04 h LYS 46 N 0.04 0.28 -2.55 1.61 3.11 -1.14 -3.44 116.57 114.48 1s04 h LYS 46 Ca -0.24 -0.28 -0.10 0.00 -2.81 0.00 0.00 60.65 57.22 1s04 h LYS 46 Cb 0.91 0.08 -0.27 0.00 -1.00 0.00 0.00 32.23 31.94 1s04 h LYS 46 CO -0.12 0.98 -0.36 -1.17 -2.81 0.00 0.00 179.45 175.97 1s04 s LEU 47 N -7.61 -0.52 -0.01 5.20 1.98 -1.17 -5.02 118.68 111.54 1s04 s LEU 47 Ca -0.04 0.96 0.02 0.00 -2.89 0.00 0.00 54.13 52.18 1s04 s LEU 47 Cb 0.10 1.34 -0.03 0.00 0.66 0.00 0.00 46.19 48.25 1s04 s LEU 47 CO 0.84 -0.22 -0.04 -0.54 -1.89 0.00 0.00 176.35 174.49 1s04 s LYS 48 N 2.34 2.67 0.13 1.98 -0.14 -1.26 -1.34 119.74 124.12 1s04 s LYS 48 Ca -0.03 -0.66 0.04 0.00 -1.36 0.00 0.00 55.97 53.96 1s04 s LYS 48 Cb -0.11 -2.58 -0.04 0.00 -1.68 0.00 0.00 37.83 33.41 1s04 s LYS 48 CO -0.13 0.62 -0.10 0.14 -0.76 0.00 0.00 175.35 175.12 1s04 s VAL 49 N -1.01 1.12 -0.13 3.17 -7.23 0.30 -2.49 120.40 114.13 1s04 s VAL 49 Ca 0.17 -1.91 -0.00 0.00 -1.81 0.00 0.00 61.98 58.43 1s04 s VAL 49 Cb -0.11 -1.68 0.03 0.00 0.56 0.00 0.00 36.38 35.17 1s04 s VAL 49 CO 0.08 -0.66 -0.09 -0.60 -0.31 0.00 0.00 175.10 173.52 1s04 s ARG 50 N -3.38 1.70 0.34 4.82 3.52 -0.33 0.61 118.95 126.22 1s04 s ARG 50 Ca 0.13 -0.35 -0.29 0.00 -0.13 0.00 0.00 55.73 55.09 1s04 s ARG 50 Cb 0.00 -1.75 -0.11 0.00 -1.56 0.00 0.00 34.95 31.53 1s04 s ARG 50 CO 0.01 -0.28 1.54 0.08 -0.81 0.00 0.00 175.30 175.84 1s04 s VAL 51 N 1.65 2.03 -0.16 7.11 1.01 -0.85 -1.48 120.40 129.70 1s04 s VAL 51 Ca 0.04 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 1s04 s VAL 51 Cb -0.13 -3.02 -0.09 0.00 0.00 0.00 0.00 36.38 33.14 1s04 s VAL 51 CO -0.09 0.01 -0.17 0.29 0.00 0.00 0.00 175.10 175.14 1s04 n LYS 52 N 1.19 0.38 -3.84 2.72 5.02 0.25 -3.67 118.16 120.21 1s04 n LYS 52 Ca 0.04 0.12 -0.04 0.00 -2.02 0.00 0.00 58.31 56.41 1s04 n LYS 52 Cb 0.38 -1.24 0.01 0.00 -0.02 0.00 0.00 35.03 34.17 1s04 n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s04 s ALA 53 N -2.32 -1.49 0.05 7.82 0.00 -1.20 -4.74 121.76 119.89 1s04 s ALA 53 Ca -0.22 -0.27 0.08 0.00 0.00 0.00 0.00 51.96 51.54 1s04 s ALA 53 Cb 0.07 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 1s04 s ALA 53 CO 0.34 -1.05 -0.21 -1.50 0.00 0.00 0.00 175.76 173.34 1s04 s ILE 54 N -2.50 1.73 -0.03 0.00 2.07 -1.26 -1.98 121.20 119.23 1s04 s ILE 54 Ca 0.18 -1.27 -0.05 0.00 -1.41 0.00 0.00 60.65 58.11 1s04 s ILE 54 Cb -0.03 -1.51 0.01 0.00 0.13 0.00 0.00 42.46 41.06 1s04 s ILE 54 CO 0.05 0.19 0.12 -0.13 -1.91 0.00 0.00 174.94 173.26 1s04 s ARG 55 N -1.28 0.23 0.01 3.50 0.52 -0.98 -4.98 118.95 115.97 1s04 s ARG 55 Ca 0.08 0.01 0.05 0.00 -0.52 0.00 0.00 55.73 55.35 1s04 s ARG 55 Cb -0.09 0.10 -0.02 0.00 0.52 0.00 0.00 34.95 35.46 1s04 s ARG 55 CO 0.02 -0.04 -0.14 0.08 0.02 0.00 0.00 175.30 175.24 1s04 s VAL 56 N -0.31 1.11 0.28 3.52 1.01 -1.26 0.05 120.40 124.79 1s04 s VAL 56 Ca -0.04 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1s04 s VAL 56 Cb -0.03 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 1s04 s VAL 56 CO 0.00 0.18 0.10 -1.22 0.00 0.00 0.00 175.10 174.17 1s04 n TYR 57 N 2.38 0.06 -0.01 5.22 4.02 -0.25 -4.95 117.16 123.63 1s04 n TYR 57 Ca -0.16 -1.79 -0.17 0.00 -0.01 0.00 0.00 57.90 55.77 1s04 n TYR 57 Cb 0.55 0.01 -0.11 0.00 -0.02 0.00 0.00 39.34 39.77 1s04 n TYR 57 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1s04 h ASN 58 N 1.12 0.46 -5.13 7.72 2.35 -1.92 -3.33 115.58 116.85 1s04 h ASN 58 Ca -0.21 -0.76 -0.01 0.00 -0.55 0.00 0.00 56.30 54.77 1s04 h ASN 58 Cb 0.83 -0.14 -0.08 0.00 0.05 0.00 0.00 38.32 38.98 1s04 h ASN 58 CO 0.34 1.16 0.03 -0.55 -1.65 0.00 0.00 177.43 176.75 1s04 s SER 59 N -6.64 -0.18 0.30 5.81 0.15 -1.26 -4.43 113.70 107.45 1s04 s SER 59 Ca -0.14 -0.75 -0.01 0.00 0.70 0.00 0.00 55.95 55.75 1s04 s SER 59 Cb 0.03 0.64 0.45 0.00 -1.71 0.00 0.00 66.02 65.42 1s04 s SER 59 CO 0.80 -1.20 1.91 -0.26 1.20 0.00 0.00 173.24 175.69 1s04 h PHE 60 N 2.16 0.92 -0.76 3.44 0.04 -1.92 -1.77 116.94 119.04 1s04 h PHE 60 Ca -0.24 -0.03 0.09 0.00 2.80 0.00 0.00 57.97 60.59 1s04 h PHE 60 Cb 1.25 -0.29 -0.05 0.00 2.20 0.00 0.00 35.95 39.06 1s04 h PHE 60 CO 0.40 0.66 0.50 -0.09 -0.60 0.00 0.00 178.31 179.18 1s04 h ARG 61 N 0.94 0.69 -0.15 1.51 2.43 -1.96 0.58 114.38 118.42 1s04 h ARG 61 Ca 0.23 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 59.16 1s04 h ARG 61 Cb 0.07 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1s04 h ARG 61 CO -0.03 0.46 -0.71 0.93 -1.51 0.00 0.00 179.97 179.10 1s04 h GLU 62 N 0.71 0.65 -0.12 0.20 3.07 -1.75 0.53 114.58 117.87 1s04 h GLU 62 Ca 0.34 -0.50 -0.05 0.00 -0.50 0.00 0.00 59.36 58.66 1s04 h GLU 62 Cb 0.41 0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1s04 h GLU 62 CO -0.13 1.12 -0.11 0.52 -1.40 0.00 0.00 179.01 179.01 1s04 h MET 63 N 0.45 0.29 -0.01 2.33 2.86 -0.60 0.40 114.93 120.65 1s04 h MET 63 Ca -0.03 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.36 1s04 h MET 63 Cb 1.31 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 1s04 h MET 63 CO 0.14 0.69 -0.45 -0.07 1.06 0.00 0.00 176.91 178.28 1s04 h LEU 64 N -0.10 0.02 -0.02 1.22 3.38 0.04 1.76 115.31 121.61 1s04 h LEU 64 Ca 0.02 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 1s04 h LEU 64 Cb 0.63 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.39 1s04 h LEU 64 CO 0.03 0.46 -0.66 -0.33 0.09 0.00 0.00 178.44 178.03 1s04 h GLU 65 N 0.01 0.49 0.00 1.13 4.39 -0.77 0.32 114.58 120.16 1s04 h GLU 65 Ca -0.00 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1s04 h GLU 65 Cb 0.79 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1s04 h GLU 65 CO 0.06 1.13 -0.09 -0.22 -1.16 0.00 0.00 179.01 178.74 1s04 h LYS 66 N 0.03 0.00 0.22 2.33 3.64 -0.04 -3.39 116.57 119.36 1s04 h LYS 66 Ca -0.08 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1s04 h LYS 66 Cb 1.35 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1s04 h LYS 66 CO 0.13 0.00 -0.13 1.49 -2.27 0.00 0.00 179.45 178.68 1s04 h GLU 67 N -0.57 -0.32 0.00 1.90 4.22 0.25 -3.49 114.58 116.58 1s04 h GLU 67 Ca 0.00 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.46 1s04 h GLU 67 Cb 0.09 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1s04 h GLU 67 CO 0.00 -0.21 0.00 0.41 -2.18 0.00 0.00 179.01 177.03 1s04 n GLY 68 N -1.24 3.87 0.48 1.92 0.00 -0.19 -4.76 105.19 105.26 1s04 n GLY 68 Ca -0.09 -0.95 -0.19 0.00 0.00 0.00 0.00 46.02 44.79 1s04 n GLY 68 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s04 h LEU 69 N 0.00 -1.11 -0.66 0.99 5.85 -0.73 -0.84 115.31 118.81 1s04 h LEU 69 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1s04 h LEU 69 Cb 0.00 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1s04 h LEU 69 CO 0.00 -0.69 0.00 -0.62 -0.34 0.00 0.00 178.44 176.79 1s04 n GLU 70 N -5.58 0.12 -0.36 1.25 1.02 -1.26 0.14 120.64 115.97 1s04 n GLU 70 Ca -0.14 0.45 0.09 0.00 -0.02 0.00 0.00 57.16 57.53 1s04 n GLU 70 Cb 0.46 -1.78 0.26 0.00 -0.02 0.00 0.00 31.44 30.37 1s04 n GLU 70 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1s04 n ASN 71 N -2.01 3.32 0.00 1.62 5.03 -0.43 -4.19 115.26 118.60 1s04 n ASN 71 Ca 0.01 -2.12 0.00 0.00 0.87 0.00 0.00 54.58 53.35 1s04 n ASN 71 Cb 0.14 -0.43 0.00 0.00 -1.02 0.00 0.00 39.78 38.48 1s04 n ASN 71 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1s04 n VAL 72 N 1.07 0.00 -3.88 2.41 0.31 0.18 0.94 118.33 119.36 1s04 n VAL 72 Ca 0.20 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.22 1s04 n VAL 72 Cb 0.56 -0.35 -0.14 0.00 -0.91 0.00 0.00 33.84 33.01 1s04 n VAL 72 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1s04 s LEU 73 N -4.40 3.81 -0.28 7.52 2.96 0.37 -4.64 118.68 124.02 1s04 s LEU 73 Ca 0.00 -2.66 -0.29 0.00 -0.22 0.00 0.00 54.13 50.96 1s04 s LEU 73 Cb 0.00 -1.42 -0.00 0.00 0.50 0.00 0.00 46.19 45.27 1s04 s LEU 73 CO 0.00 -0.28 1.34 -2.16 -1.32 0.00 0.00 176.35 173.93 1s04 s PRO 74 N 0.23 3.92 0.00 0.98 0.04 -1.26 -2.89 135.00 136.03 1s04 s PRO 74 Ca 0.16 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1s04 s PRO 74 Cb -0.24 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.41 1s04 s PRO 74 CO -0.03 -1.11 0.00 0.41 0.04 0.00 0.00 177.00 176.30 1s04 n GLY 75 N 4.31 1.23 3.11 0.56 0.00 -1.26 -5.09 105.19 108.05 1s04 n GLY 75 Ca 0.15 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1s04 n GLY 75 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1s04 n VAL 76 N 0.00 0.08 0.07 1.61 3.14 -1.14 -4.88 118.33 117.21 1s04 n VAL 76 Ca 0.00 -0.48 -0.19 0.00 -2.96 0.00 0.00 64.34 60.71 1s04 n VAL 76 Cb 0.00 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 32.64 1s04 n VAL 76 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 1s04 h LYS 77 N 0.04 0.30 -2.42 1.45 1.57 -1.92 -3.49 116.57 112.10 1s04 h LYS 77 Ca -0.39 -0.52 0.15 0.00 -1.87 0.00 0.00 60.65 58.02 1s04 h LYS 77 Cb 1.38 0.19 -0.09 0.00 0.08 0.00 0.00 32.23 33.79 1s04 h LYS 77 CO 0.41 1.18 0.45 -1.12 -0.57 0.00 0.00 179.45 179.80 1s04 s SER 78 N -7.09 -0.24 0.31 0.86 0.01 -1.26 -4.98 113.70 101.31 1s04 s SER 78 Ca -0.12 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 56.85 1s04 s SER 78 Cb 0.06 0.50 0.60 0.00 0.21 0.00 0.00 66.02 67.39 1s04 s SER 78 CO 0.85 -0.89 1.89 0.40 0.41 0.00 0.00 173.24 175.90 1s04 h ILE 79 N 2.00 0.99 -0.27 1.44 2.04 -1.99 0.20 117.51 121.92 1s04 h ILE 79 Ca -0.24 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 1s04 h ILE 79 Cb 1.24 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1s04 h ILE 79 CO 0.27 0.17 0.06 -0.33 0.00 0.00 0.00 178.15 178.32 1s04 h GLU 80 N 0.94 0.43 -0.61 2.37 4.39 -2.01 -2.74 114.58 117.35 1s04 h GLU 80 Ca 0.42 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.98 1s04 h GLU 80 Cb 0.36 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1s04 h GLU 80 CO -0.18 0.53 0.25 0.93 -1.16 0.00 0.00 179.01 179.38 1s04 h GLU 81 N 0.26 0.89 -0.26 2.33 4.39 -1.61 -2.77 114.58 117.81 1s04 h GLU 81 Ca 0.08 -0.14 0.06 0.00 0.34 0.00 0.00 59.36 59.70 1s04 h GLU 81 Cb 0.30 -0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 28.73 1s04 h GLU 81 CO 0.00 0.72 -0.13 0.78 -1.16 0.00 0.00 179.01 179.23 1s04 h GLY 82 N 0.98 0.08 0.48 -3.84 0.00 -0.38 -0.44 103.07 99.95 1s04 h GLY 82 Ca 0.21 0.16 0.11 0.00 0.00 0.00 0.00 47.33 47.81 1s04 h GLY 82 CO -0.02 -0.15 0.55 -2.22 0.00 0.00 0.00 176.54 174.71 1s04 h ILE 83 N -0.10 0.91 -0.88 2.60 5.03 -1.26 0.13 117.51 123.94 1s04 h ILE 83 Ca 0.14 -0.31 0.09 0.00 -0.12 0.00 0.00 64.86 64.66 1s04 h ILE 83 Cb 0.30 -0.06 -0.06 0.00 -3.03 0.00 0.00 36.82 33.97 1s04 h ILE 83 CO -0.32 0.16 0.57 1.56 -0.68 0.00 0.00 178.15 179.45 1s04 h GLN 84 N 0.89 0.88 0.27 2.37 7.50 -0.94 0.27 115.11 126.35 1s04 h GLN 84 Ca 0.45 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.54 1s04 h GLN 84 Cb 0.44 -0.20 0.00 0.00 0.05 0.00 0.00 27.48 27.77 1s04 h GLN 84 CO -0.26 0.58 -0.13 0.28 -1.50 0.00 0.00 178.83 177.80 1s04 h VAL 85 N 0.91 0.77 0.00 -0.54 2.07 0.03 -2.09 116.25 117.40 1s04 h VAL 85 Ca 0.40 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1s04 h VAL 85 Cb 0.35 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1s04 h VAL 85 CO -0.16 0.11 -0.00 1.88 0.02 0.00 0.00 177.57 179.41 1s04 h TYR 86 N -0.65 0.00 -0.04 1.57 0.05 -0.66 0.49 116.97 117.72 1s04 h TYR 86 Ca -0.04 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.68 1s04 h TYR 86 Cb 0.46 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.20 1s04 h TYR 86 CO 0.01 0.00 -0.22 -0.09 -1.05 0.00 0.00 178.16 176.81 1s04 h ARG 87 N 0.00 0.23 0.00 4.88 9.65 -0.07 1.25 114.38 130.32 1s04 h ARG 87 Ca -0.00 -0.19 -0.09 0.00 -1.10 0.00 0.00 59.98 58.60 1s04 h ARG 87 Cb 0.06 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 1s04 h ARG 87 CO 0.00 0.84 -0.44 0.07 2.80 0.00 0.00 179.97 183.24 1s04 h ARG 88 N -0.33 0.00 0.00 0.20 0.11 -0.68 -3.33 114.38 110.35 1s04 h ARG 88 Ca -0.02 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.98 1s04 h ARG 88 Cb 0.89 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.95 1s04 h ARG 88 CO 0.05 0.44 -0.64 0.74 0.10 0.00 0.00 179.97 180.66 1s04 h PHE 89 N 0.00 0.00 -3.50 4.08 -1.00 -0.94 -3.47 116.94 112.12 1s04 h PHE 89 Ca -0.00 0.00 -0.68 0.00 2.81 0.00 0.00 57.97 60.10 1s04 h PHE 89 Cb 1.05 0.00 -0.18 0.00 3.61 0.00 0.00 35.95 40.43 1s04 h PHE 89 CO 0.00 0.66 -0.66 0.71 -1.61 0.00 0.00 178.31 177.41 1s04 s TYR 90 N -2.18 3.03 0.52 -0.55 2.02 0.43 -5.06 117.35 115.56 1s04 s TYR 90 Ca -0.18 0.04 -0.22 0.00 -0.37 0.00 0.00 57.07 56.34 1s04 s TYR 90 Cb 0.02 -1.77 -0.06 0.00 -0.40 0.00 0.00 41.96 39.76 1s04 s TYR 90 CO 0.38 0.33 1.33 -0.51 -1.57 0.00 0.00 175.55 175.51 1s04 s ASP 91 N -0.68 5.50 0.11 2.29 1.01 -1.26 -3.89 116.67 119.75 1s04 s ASP 91 Ca 0.10 2.70 -0.13 0.00 0.71 0.00 0.00 52.55 55.94 1s04 s ASP 91 Cb -0.12 -2.63 -0.12 0.00 1.01 0.00 0.00 42.92 41.06 1s04 s ASP 91 CO 0.02 -1.41 1.35 -0.08 0.21 0.00 0.00 175.17 175.26 1s04 h GLU 92 N 1.67 0.80 0.27 8.23 4.22 -1.89 -1.59 114.58 126.30 1s04 h GLU 92 Ca -0.51 -0.56 -0.01 0.00 0.08 0.00 0.00 59.36 58.37 1s04 h GLU 92 Cb 1.29 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.62 1s04 h GLU 92 CO 0.58 1.18 -0.17 1.49 -2.18 0.00 0.00 179.01 179.92 1s04 h GLU 93 N 0.55 -0.40 -0.93 1.92 4.22 -1.96 1.07 114.58 119.04 1s04 h GLU 93 Ca -0.01 0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.48 1s04 h GLU 93 Cb 1.21 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.51 1s04 h GLU 93 CO 0.13 -0.27 0.61 0.87 -2.18 0.00 0.00 179.01 178.17 1s04 h LYS 94 N -0.42 1.19 0.24 1.92 1.79 -1.96 0.48 116.57 119.82 1s04 h LYS 94 Ca -0.03 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 1s04 h LYS 94 Cb 0.35 -0.27 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1s04 h LYS 94 CO 0.03 0.79 -0.12 1.49 -1.08 0.00 0.00 179.45 180.56 1s04 h GLU 95 N 1.23 -0.32 0.00 3.15 4.81 -0.79 -1.67 114.58 120.99 1s04 h GLU 95 Ca 0.35 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1s04 h GLU 95 Cb -0.09 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1s04 h GLU 95 CO -0.09 -0.05 0.00 0.87 -0.73 0.00 0.00 179.01 179.01 1s04 h LYS 96 N -0.57 0.00 0.27 1.92 1.79 0.15 1.45 116.57 121.58 1s04 h LYS 96 Ca -0.03 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1s04 h LYS 96 Cb 0.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1s04 h LYS 96 CO 0.06 0.00 -0.13 0.87 -1.08 0.00 0.00 179.45 179.16 1s04 h LYS 97 N 0.00 -0.36 0.00 3.15 1.57 0.62 -3.43 116.57 118.13 1s04 h LYS 97 Ca 0.00 0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.58 1s04 h LYS 97 Cb 0.20 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1s04 h LYS 97 CO 0.00 -0.17 -1.73 0.66 -0.57 0.00 0.00 179.45 177.64 1s04 n TYR 98 N -5.02 0.00 0.00 -1.35 4.01 -0.69 -5.08 117.16 109.03 1s04 n TYR 98 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1s04 n TYR 98 Cb 0.18 -0.72 0.00 0.00 -0.31 0.00 0.00 39.34 38.49 1s04 n TYR 98 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1s04 n GLY 99 N 1.45 0.22 3.37 2.72 0.00 0.49 -4.94 105.19 108.50 1s04 n GLY 99 Ca -0.33 -1.67 -0.26 0.00 0.00 0.00 0.00 46.02 43.76 1s04 n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s04 s VAL 100 N -1.52 2.10 -0.16 1.61 1.01 -1.25 -3.94 120.40 118.24 1s04 s VAL 100 Ca 0.00 -1.84 -0.03 0.00 0.00 0.00 0.00 61.98 60.10 1s04 s VAL 100 Cb 0.00 -1.93 0.05 0.00 0.00 0.00 0.00 36.38 34.51 1s04 s VAL 100 CO 0.00 -0.09 0.06 0.54 0.00 0.00 0.00 175.10 175.61 1s04 s VAL 101 N -1.48 0.22 -0.74 2.92 0.11 -1.23 -1.09 120.40 119.12 1s04 s VAL 101 Ca 0.15 -0.27 -0.25 0.00 -2.93 0.00 0.00 61.98 58.68 1s04 s VAL 101 Cb -0.08 -0.74 0.05 0.00 -1.53 0.00 0.00 36.38 34.07 1s04 s VAL 101 CO 0.07 -0.17 1.19 0.00 -3.33 0.00 0.00 175.10 172.86 1s04 s ALA 102 N 2.00 2.88 -0.33 1.54 0.00 0.11 -2.51 121.76 125.45 1s04 s ALA 102 Ca 0.01 -1.61 -0.22 0.00 0.00 0.00 0.00 51.96 50.15 1s04 s ALA 102 Cb -0.16 -4.15 -0.00 0.00 0.00 0.00 0.00 23.12 18.81 1s04 s ALA 102 CO -0.08 -3.15 0.70 0.96 0.00 0.00 0.00 175.76 174.20 1s04 s ILE 103 N 5.09 4.85 -0.35 0.00 -0.00 -0.58 -2.31 121.20 127.90 1s04 s ILE 103 Ca 0.32 0.88 -0.29 0.00 -0.00 0.00 0.00 60.65 61.55 1s04 s ILE 103 Cb -0.10 -4.10 0.01 0.00 -0.00 0.00 0.00 42.46 38.27 1s04 s ILE 103 CO 0.11 -0.27 1.32 -0.70 -0.00 0.00 0.00 174.94 175.41 1s04 s GLU 104 N 2.82 3.78 0.30 0.37 2.12 -0.84 -3.76 118.70 123.50 1s04 s GLU 104 Ca 0.28 1.08 0.10 0.00 0.36 0.00 0.00 54.97 56.79 1s04 s GLU 104 Cb -0.14 -3.93 -0.05 0.00 0.26 0.00 0.00 34.13 30.27 1s04 s GLU 104 CO 0.14 -1.29 -0.10 0.96 -0.54 0.00 0.00 175.26 174.42 1s04 s ILE 105 N 4.73 2.64 -0.25 -3.70 -0.00 -1.26 0.85 121.20 124.21 1s04 s ILE 105 Ca 0.57 -2.20 -0.03 0.00 -0.00 0.00 0.00 60.65 59.00 1s04 s ILE 105 Cb -0.15 -2.56 0.11 0.00 -0.00 0.00 0.00 42.46 39.86 1s04 s ILE 105 CO 0.27 -0.32 0.21 -0.70 -0.00 0.00 0.00 174.94 174.40 1s04 s GLU 106 N -3.60 0.22 -0.52 0.37 2.56 -0.55 -4.70 118.70 112.48 1s04 s GLU 106 Ca 0.32 -0.16 -0.28 0.00 0.00 0.00 0.00 54.97 54.85 1s04 s GLU 106 Cb -0.03 -1.08 0.01 0.00 2.00 0.00 0.00 34.13 35.03 1s04 s GLU 106 CO 0.17 -0.89 1.47 -1.25 -0.56 0.00 0.00 175.26 174.21 1s04 s PRO 107 N 2.25 3.31 -1.14 4.30 0.04 -1.26 -1.19 135.00 141.32 1s04 s PRO 107 Ca 0.08 0.64 -0.09 0.00 0.04 0.00 0.00 61.00 61.66 1s04 s PRO 107 Cb -0.15 -4.13 0.26 0.00 0.04 0.00 0.00 34.50 30.52 1s04 s PRO 107 CO -0.26 -1.91 1.26 1.47 0.04 0.00 0.00 177.00 177.60 1s04 n LEU 108 N 9.70 5.64 -0.06 -3.56 -0.00 -1.04 -4.54 117.00 123.15 1s04 n LEU 108 Ca 0.15 -4.94 0.01 0.00 -0.00 0.00 0.00 56.01 51.22 1s04 n LEU 108 Cb 0.49 -1.48 0.01 0.00 -0.00 0.00 0.00 43.42 42.44 1s04 n LEU 108 CO 0.71 1.28 0.35 1.21 -0.00 0.00 0.00 177.39 180.95 1s04 n GLU 109 N 3.07 1.08 -0.45 1.47 4.07 -1.26 -4.83 120.64 123.79 1s04 n GLU 109 Ca 0.27 -1.03 0.00 0.00 -0.06 0.00 0.00 57.16 56.35 1s04 n GLU 109 Cb 0.39 -0.73 0.00 0.00 -0.06 0.00 0.00 31.44 31.03 1s04 n GLU 109 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05