#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 0.20 -0.01 0.03 2.12 -1.26 -4.46 118.70 115.32 1s04 s GLU 2 Ca 0.00 -0.19 -0.06 0.00 0.36 0.00 0.00 54.97 55.08 1s04 s GLU 2 Cb 0.00 -0.12 -0.05 0.00 0.26 0.00 0.00 34.13 34.23 1s04 s GLU 2 CO 0.00 0.03 0.24 -1.58 -0.54 0.00 0.00 175.26 173.41 1s04 s TRP 3 N -0.33 3.58 -0.13 5.30 0.52 -0.24 -4.98 118.94 122.64 1s04 s TRP 3 Ca -0.02 0.53 -0.01 0.00 0.02 0.00 0.00 56.10 56.61 1s04 s TRP 3 Cb -0.03 -1.96 0.04 0.00 -1.15 0.00 0.00 33.47 30.37 1s04 s TRP 3 CO -0.00 0.63 -0.01 -1.83 0.02 0.00 0.00 176.95 175.76 1s04 s GLU 4 N -1.72 0.93 0.26 4.98 -1.05 -1.26 0.19 118.70 121.02 1s04 s GLU 4 Ca 0.26 -0.23 0.00 0.00 -0.15 0.00 0.00 54.97 54.86 1s04 s GLU 4 Cb -0.13 -1.61 -0.00 0.00 -0.44 0.00 0.00 34.13 31.95 1s04 s GLU 4 CO 0.16 -0.42 0.01 -1.33 0.95 0.00 0.00 175.26 174.63 1s04 n MET 5 N 5.03 1.25 -3.70 -4.83 2.81 0.29 -4.90 117.12 113.07 1s04 n MET 5 Ca -0.09 -1.92 -0.14 0.00 -1.81 0.00 0.00 57.70 53.73 1s04 n MET 5 Cb 0.49 0.60 -0.08 0.00 -0.71 0.00 0.00 33.22 33.52 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 -2.44 -0.25 0.03 3.03 0.00 -1.26 -0.40 107.32 106.02 1s04 s GLY 6 Ca 0.02 0.50 -0.27 0.00 0.00 0.00 0.00 44.72 44.97 1s04 s GLY 6 CO 0.01 0.26 1.23 0.48 0.00 0.00 0.00 173.10 175.08 1s04 s LEU 7 N -1.40 -0.00 0.71 0.66 2.34 -1.26 -4.89 118.68 114.83 1s04 s LEU 7 Ca -0.12 -0.30 -0.14 0.00 0.06 0.00 0.00 54.13 53.63 1s04 s LEU 7 Cb -0.04 1.49 0.03 0.00 -0.56 0.00 0.00 46.19 47.11 1s04 s LEU 7 CO 0.04 -0.44 1.14 -1.10 -1.06 0.00 0.00 176.35 174.93 1s04 s GLN 8 N -2.10 2.44 0.04 1.48 1.11 -1.26 -4.84 119.66 116.53 1s04 s GLN 8 Ca 0.26 1.48 -0.23 0.00 0.01 0.00 0.00 55.36 56.88 1s04 s GLN 8 Cb -0.00 -1.90 -0.16 0.00 -1.01 0.00 0.00 33.01 29.94 1s04 s GLN 8 CO 0.00 -1.55 1.50 1.49 0.01 0.00 0.00 175.29 176.75 1s04 h GLU 9 N -0.31 0.08 -0.68 2.91 4.81 -2.01 -1.34 114.58 118.04 1s04 h GLU 9 Ca -0.46 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 58.87 1s04 h GLU 9 Cb 1.26 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.59 1s04 h GLU 9 CO 0.52 0.32 0.46 1.49 -0.73 0.00 0.00 179.01 181.06 1s04 h GLU 10 N -0.16 0.41 -0.00 1.92 4.81 -2.01 0.19 114.58 119.74 1s04 h GLU 10 Ca 0.02 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.07 1s04 h GLU 10 Cb 0.27 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1s04 h GLU 10 CO 0.00 0.27 -0.71 0.35 -0.73 0.00 0.00 179.01 178.19 1s04 h PHE 11 N 0.43 0.01 -0.40 0.92 3.04 -1.85 -3.15 116.94 115.93 1s04 h PHE 11 Ca 0.33 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.21 1s04 h PHE 11 Cb 0.69 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.18 1s04 h PHE 11 CO -0.00 0.72 0.03 -0.07 -2.02 0.00 0.00 178.31 176.96 1s04 h LEU 12 N 0.00 0.67 -1.46 0.59 3.38 0.49 -2.52 115.31 116.47 1s04 h LEU 12 Ca -0.01 -0.29 0.13 0.00 0.09 0.00 0.00 57.88 57.80 1s04 h LEU 12 Cb 1.26 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 1s04 h LEU 12 CO 0.09 0.80 0.51 -0.08 0.09 0.00 0.00 178.44 179.85 1s04 h GLU 13 N 0.53 0.54 -0.76 1.13 4.81 -1.30 0.44 114.58 119.96 1s04 h GLU 13 Ca 0.12 -0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.43 1s04 h GLU 13 Cb 0.43 -0.12 -0.08 0.00 0.63 0.00 0.00 28.75 29.61 1s04 h GLU 13 CO 0.02 0.36 0.38 -0.07 -0.73 0.00 0.00 179.01 178.96 1s04 h LEU 14 N 0.56 0.47 -0.79 1.64 3.38 -1.45 0.12 115.31 119.24 1s04 h LEU 14 Ca 0.38 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.45 1s04 h LEU 14 Cb 0.69 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 1s04 h LEU 14 CO -0.14 0.24 0.51 0.40 0.09 0.00 0.00 178.44 179.54 1s04 h ILE 15 N 0.60 1.14 -0.13 1.22 5.03 -0.93 0.18 117.51 124.62 1s04 h ILE 15 Ca 0.39 -0.34 0.04 0.00 -0.12 0.00 0.00 64.86 64.83 1s04 h ILE 15 Cb 0.48 0.05 -0.01 0.00 -3.03 0.00 0.00 36.82 34.31 1s04 h ILE 15 CO -0.31 0.18 0.09 0.11 -0.68 0.00 0.00 178.15 177.55 1s04 h LYS 16 N 1.00 0.00 0.00 2.37 1.57 -0.64 0.25 116.57 121.13 1s04 h LYS 16 Ca 0.31 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.98 1s04 h LYS 16 Cb -0.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1s04 h LYS 16 CO -0.10 0.00 -0.75 -0.07 -0.57 0.00 0.00 179.45 177.96 1s04 h LEU 17 N 0.00 0.00 0.00 2.94 3.38 0.10 -3.13 115.31 118.59 1s04 h LEU 17 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1s04 h LEU 17 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1s04 h LEU 17 CO -0.00 0.47 0.00 0.54 0.09 0.00 0.00 178.44 179.54 1s04 n ARG 18 N -3.10 0.86 0.09 1.13 1.74 0.85 -2.82 116.66 115.41 1s04 n ARG 18 Ca -0.01 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.18 1s04 n ARG 18 Cb 0.74 -1.46 0.45 0.00 -1.02 0.00 0.00 32.46 31.17 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 -0.96 0.15 0.00 5.56 4.81 -0.96 -2.41 118.16 124.35 1s04 n LYS 19 Ca 0.19 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 1s04 n LYS 19 Cb 0.09 -1.75 0.00 0.00 0.02 0.00 0.00 35.03 33.39 1s04 n LYS 19 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1s04 n LYS 20 N -2.02 0.02 0.00 1.64 5.02 -1.13 -4.98 118.16 116.72 1s04 n LYS 20 Ca 0.03 -0.56 0.00 0.00 -2.02 0.00 0.00 58.31 55.77 1s04 n LYS 20 Cb 0.26 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 34.43 1s04 n LYS 20 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1s04 n LYS 21 N -0.09 0.00 -3.78 1.97 5.02 -1.01 -5.07 118.16 115.20 1s04 n LYS 21 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1s04 n LYS 21 Cb 0.14 0.00 -0.01 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 2.35 0.00 -0.34 -0.18 -1.09 0.11 -4.95 121.20 117.11 1s04 s ILE 22 Ca 0.00 -0.68 0.00 0.00 -2.23 0.00 0.00 60.65 57.74 1s04 s ILE 22 Cb 0.00 -2.12 0.14 0.00 -1.58 0.00 0.00 42.46 38.90 1s04 s ILE 22 CO 0.00 0.00 0.26 -0.70 -1.23 0.00 0.00 174.94 173.27 1s04 s GLU 23 N -3.15 0.49 1.10 2.79 2.12 -1.25 -4.11 118.70 116.67 1s04 s GLU 23 Ca 0.13 -0.92 -0.13 0.00 0.36 0.00 0.00 54.97 54.41 1s04 s GLU 23 Cb -0.02 -1.03 0.24 0.00 0.26 0.00 0.00 34.13 33.59 1s04 s GLU 23 CO 0.03 -1.15 1.06 0.20 -0.54 0.00 0.00 175.26 174.86 1s04 s GLY 24 N 1.49 1.55 0.00 -1.50 0.00 -1.26 -3.31 107.32 104.29 1s04 s GLY 24 Ca 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.53 1s04 s GLY 24 CO -0.10 0.34 0.00 -2.13 0.00 0.00 0.00 173.10 171.21 1s04 n ARG 25 N -4.57 0.00 -1.40 2.90 0.63 -1.13 -4.87 116.66 108.22 1s04 n ARG 25 Ca 0.04 0.00 -0.51 0.00 -0.92 0.00 0.00 57.85 56.46 1s04 n ARG 25 Cb 0.56 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.42 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 -0.66 -4.56 6.15 7.94 -1.26 -3.30 117.00 121.31 1s04 n LEU 26 Ca 0.00 1.11 -0.26 0.00 -1.11 0.00 0.00 56.01 55.75 1s04 n LEU 26 Cb 0.00 -0.91 -0.05 0.00 0.53 0.00 0.00 43.42 42.99 1s04 n LEU 26 CO 0.00 -2.42 1.33 -0.47 -1.11 0.00 0.00 177.39 174.72 1s04 s TYR 27 N -0.52 1.77 0.00 1.96 6.14 -1.23 -4.81 117.35 120.66 1s04 s TYR 27 Ca 0.74 0.70 0.00 0.00 0.64 0.00 0.00 57.07 59.16 1s04 s TYR 27 Cb -1.05 -4.01 0.00 0.00 0.42 0.00 0.00 41.96 37.31 1s04 s TYR 27 CO 0.55 -1.73 0.00 -0.25 0.64 0.00 0.00 175.55 174.75 1s04 n ASP 28 N 14.23 0.00 -0.03 4.32 9.92 -1.26 -4.86 116.55 138.87 1s04 n ASP 28 Ca 0.41 -0.72 -0.15 0.00 -0.53 0.00 0.00 54.79 53.80 1s04 n ASP 28 Cb 0.47 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.85 1s04 n ASP 28 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1s04 h GLU 29 N 0.00 0.21 -0.98 -1.24 3.07 -2.00 -2.95 114.58 110.69 1s04 h GLU 29 Ca 0.00 -0.18 0.02 0.00 -0.50 0.00 0.00 59.36 58.70 1s04 h GLU 29 Cb 0.00 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 27.90 1s04 h GLU 29 CO 0.00 0.84 0.65 1.57 -1.40 0.00 0.00 179.01 180.67 1s04 h LYS 30 N -0.37 1.26 -0.85 2.33 2.10 -1.98 -1.10 116.57 117.98 1s04 h LYS 30 Ca -0.02 -0.08 0.07 0.00 -2.00 0.00 0.00 60.65 58.63 1s04 h LYS 30 Cb 0.89 -0.28 -0.06 0.00 -0.90 0.00 0.00 32.23 31.88 1s04 h LYS 30 CO 0.04 0.84 0.55 0.00 -2.00 0.00 0.00 179.45 178.88 1s04 h ARG 31 N 1.30 0.89 -0.87 0.07 2.47 -1.90 -0.55 114.38 115.79 1s04 h ARG 31 Ca 0.36 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 59.02 1s04 h ARG 31 Cb -0.12 -0.20 -0.04 0.00 -1.65 0.00 0.00 29.97 27.96 1s04 h ARG 31 CO -0.09 0.59 0.50 -0.09 0.56 0.00 0.00 179.97 181.44 1s04 h ARG 32 N 0.92 1.20 0.00 0.04 2.43 -1.02 -1.51 114.38 116.44 1s04 h ARG 32 Ca 0.37 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 59.34 1s04 h ARG 32 Cb 0.26 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1s04 h ARG 32 CO -0.14 0.86 -0.39 1.96 -1.51 0.00 0.00 179.97 180.76 1s04 h GLN 33 N 1.21 0.00 -6.93 0.20 4.20 -0.92 -3.43 115.11 109.44 1s04 h GLN 33 Ca 0.31 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.50 1s04 h GLN 33 Cb -0.01 0.00 0.07 0.00 0.30 0.00 0.00 27.48 27.83 1s04 h GLN 33 CO -0.05 0.39 0.57 0.42 -0.67 0.00 0.00 178.83 179.48 1s04 s ILE 34 N -4.03 2.88 0.15 2.54 1.01 -0.54 -5.03 121.20 118.17 1s04 s ILE 34 Ca -0.02 0.78 -0.08 0.00 0.00 0.00 0.00 60.65 61.33 1s04 s ILE 34 Cb 0.14 -3.46 -0.01 0.00 0.01 0.00 0.00 42.46 39.14 1s04 s ILE 34 CO 0.71 0.11 0.26 -1.59 0.00 0.00 0.00 174.94 174.43 1s04 s LYS 35 N -2.17 1.09 -0.51 2.79 0.00 -1.26 -4.96 119.74 114.72 1s04 s LYS 35 Ca 0.55 -1.15 -0.28 0.00 0.00 0.00 0.00 55.97 55.10 1s04 s LYS 35 Cb -0.35 0.36 0.01 0.00 0.00 0.00 0.00 37.83 37.85 1s04 s LYS 35 CO 0.45 -0.39 1.47 -1.25 0.00 0.00 0.00 175.35 175.63 1s04 s PRO 36 N -3.95 3.33 0.00 1.78 0.04 -1.26 -3.07 135.00 131.86 1s04 s PRO 36 Ca 0.15 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.85 1s04 s PRO 36 Cb 0.04 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1s04 s PRO 36 CO -0.02 -1.89 0.00 0.41 0.04 0.00 0.00 177.00 175.54 1s04 n GLY 37 N 5.25 1.21 3.79 0.56 0.00 -1.18 -4.94 105.19 109.88 1s04 n GLY 37 Ca 0.15 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1s04 n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s04 s ASP 38 N 0.00 3.26 -0.04 1.61 1.01 -1.17 -4.86 116.67 116.47 1s04 s ASP 38 Ca 0.00 0.84 0.01 0.00 0.71 0.00 0.00 52.55 54.11 1s04 s ASP 38 Cb 0.00 -1.31 0.02 0.00 1.01 0.00 0.00 42.92 42.63 1s04 s ASP 38 CO 0.00 -2.70 -0.05 -0.69 0.21 0.00 0.00 175.17 171.94 1s04 s VAL 39 N -3.34 0.54 -0.21 -1.27 1.01 -1.26 -2.73 120.40 113.15 1s04 s VAL 39 Ca 0.66 -0.15 -0.10 0.00 0.00 0.00 0.00 61.98 62.39 1s04 s VAL 39 Cb -0.13 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 1s04 s VAL 39 CO 0.53 0.22 0.12 -0.63 0.00 0.00 0.00 175.10 175.34 1s04 s ILE 40 N 0.76 5.25 -0.28 2.22 1.01 0.87 -1.08 121.20 129.95 1s04 s ILE 40 Ca -0.10 0.13 -0.09 0.00 0.00 0.00 0.00 60.65 60.59 1s04 s ILE 40 Cb -0.13 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 1s04 s ILE 40 CO 0.00 0.42 0.13 -0.94 0.00 0.00 0.00 174.94 174.55 1s04 s SER 41 N 0.55 5.46 -0.09 3.58 1.04 0.50 -1.61 113.70 123.14 1s04 s SER 41 Ca 0.07 -0.30 -0.11 0.00 0.48 0.00 0.00 55.95 56.08 1s04 s SER 41 Cb -0.12 -1.99 -0.05 0.00 0.10 0.00 0.00 66.02 63.96 1s04 s SER 41 CO 0.00 -0.10 0.27 -0.36 0.98 0.00 0.00 173.24 174.03 1s04 s PHE 42 N 1.64 3.61 -1.43 5.02 0.08 0.28 0.10 117.98 127.29 1s04 s PHE 42 Ca 0.06 0.70 -0.09 0.00 0.12 0.00 0.00 56.93 57.72 1s04 s PHE 42 Cb -0.16 -2.16 0.06 0.00 -0.57 0.00 0.00 43.02 40.18 1s04 s PHE 42 CO 0.06 0.58 0.67 0.39 -0.10 0.00 0.00 175.22 176.82 1s04 n GLU 43 N 2.33 -4.51 0.00 0.44 1.02 0.46 -0.19 120.64 120.19 1s04 n GLU 43 Ca -0.16 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 1s04 n GLU 43 Cb 0.53 -5.45 0.00 0.00 -0.02 0.00 0.00 31.44 26.50 1s04 n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s04 n GLY 44 N -1.43 2.11 0.75 0.62 0.00 -1.26 -3.73 105.19 102.26 1s04 n GLY 44 Ca -0.03 -0.34 -0.04 0.00 0.00 0.00 0.00 46.02 45.62 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 0.29 0.19 -0.02 0.00 -0.98 -4.80 105.19 99.87 1s04 n GLY 45 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.69 -3.15 1.61 3.11 -0.66 -3.43 116.57 114.74 1s04 h LYS 46 Ca -0.32 -0.73 -0.39 0.00 -2.81 0.00 0.00 60.65 56.40 1s04 h LYS 46 Cb 1.05 0.21 -0.39 0.00 -1.00 0.00 0.00 32.23 32.09 1s04 h LYS 46 CO -0.16 1.31 -0.72 -1.17 -2.81 0.00 0.00 179.45 175.89 1s04 s LEU 47 N -8.10 0.17 -0.11 5.20 1.98 -1.09 -4.99 118.68 111.74 1s04 s LEU 47 Ca -0.09 -0.15 -0.03 0.00 -2.89 0.00 0.00 54.13 50.97 1s04 s LEU 47 Cb 0.07 -0.09 -0.03 0.00 0.66 0.00 0.00 46.19 46.79 1s04 s LEU 47 CO 0.92 -0.29 -0.00 -0.54 -1.89 0.00 0.00 176.35 174.55 1s04 s LYS 48 N 2.18 3.24 0.06 1.98 -0.14 -1.26 -0.55 119.74 125.25 1s04 s LYS 48 Ca 0.04 -0.43 0.02 0.00 -1.36 0.00 0.00 55.97 54.24 1s04 s LYS 48 Cb -0.14 -2.86 -0.03 0.00 -1.68 0.00 0.00 37.83 33.13 1s04 s LYS 48 CO -0.06 0.55 -0.07 0.14 -0.76 0.00 0.00 175.35 175.15 1s04 s VAL 49 N -0.46 0.54 -0.15 3.17 -7.23 -0.63 -2.31 120.40 113.33 1s04 s VAL 49 Ca 0.08 -1.32 -0.01 0.00 -1.81 0.00 0.00 61.98 58.92 1s04 s VAL 49 Cb -0.12 -0.90 0.04 0.00 0.56 0.00 0.00 36.38 35.95 1s04 s VAL 49 CO 0.02 -0.55 -0.05 -0.60 -0.31 0.00 0.00 175.10 173.61 1s04 s ARG 50 N -2.26 1.39 0.47 4.82 3.52 -0.50 -0.09 118.95 126.30 1s04 s ARG 50 Ca -0.04 -0.41 -0.22 0.00 -0.13 0.00 0.00 55.73 54.93 1s04 s ARG 50 Cb -0.05 -1.85 -0.10 0.00 -1.56 0.00 0.00 34.95 31.39 1s04 s ARG 50 CO -0.01 -0.39 0.84 0.28 -0.81 0.00 0.00 175.30 175.21 1s04 n VAL 51 N 4.91 2.51 -0.07 7.11 0.31 -1.10 -1.86 118.33 130.15 1s04 n VAL 51 Ca -0.12 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.62 1s04 n VAL 51 Cb 0.48 -0.97 -0.06 0.00 -0.91 0.00 0.00 33.84 32.39 1s04 n VAL 51 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1s04 n LYS 52 N -0.00 0.33 -3.62 5.55 4.76 0.58 -3.11 118.16 122.65 1s04 n LYS 52 Ca 0.11 0.08 -0.01 0.00 -2.87 0.00 0.00 58.31 55.62 1s04 n LYS 52 Cb 0.42 -1.26 -0.01 0.00 -1.84 0.00 0.00 35.03 32.33 1s04 n LYS 52 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1s04 s ALA 53 N -2.27 -2.11 0.11 7.82 0.00 -1.21 -4.74 121.76 119.35 1s04 s ALA 53 Ca -0.18 0.88 0.08 0.00 0.00 0.00 0.00 51.96 52.74 1s04 s ALA 53 Cb 0.05 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 1s04 s ALA 53 CO 0.31 -0.92 -0.15 -1.50 0.00 0.00 0.00 175.76 173.50 1s04 s ILE 54 N -2.55 3.02 -0.27 0.00 2.07 -1.26 -2.14 121.20 120.07 1s04 s ILE 54 Ca 0.12 -1.40 -0.10 0.00 -1.41 0.00 0.00 60.65 57.86 1s04 s ILE 54 Cb 0.02 -2.39 0.11 0.00 0.13 0.00 0.00 42.46 40.34 1s04 s ILE 54 CO -0.04 0.12 0.60 -0.13 -1.91 0.00 0.00 174.94 173.58 1s04 s ARG 55 N -2.11 0.54 0.10 3.50 0.52 -1.23 -5.01 118.95 115.26 1s04 s ARG 55 Ca 0.19 1.30 0.01 0.00 -0.52 0.00 0.00 55.73 56.70 1s04 s ARG 55 Cb -0.11 0.59 -0.04 0.00 0.52 0.00 0.00 34.95 35.92 1s04 s ARG 55 CO 0.11 -0.20 0.26 0.08 0.02 0.00 0.00 175.30 175.56 1s04 s VAL 56 N 2.55 5.35 0.37 3.52 1.01 -1.26 0.19 120.40 132.12 1s04 s VAL 56 Ca -0.06 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.50 1s04 s VAL 56 Cb -0.11 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1s04 s VAL 56 CO -0.18 0.04 0.18 -1.22 0.00 0.00 0.00 175.10 173.92 1s04 n TYR 57 N -0.07 -0.11 -0.02 5.22 4.02 0.25 -4.92 117.16 121.53 1s04 n TYR 57 Ca -0.06 -2.56 -0.16 0.00 -0.01 0.00 0.00 57.90 55.11 1s04 n TYR 57 Cb 0.52 0.07 -0.11 0.00 -0.02 0.00 0.00 39.34 39.80 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 1.67 0.31 -5.04 7.72 2.35 -1.93 -3.32 115.58 117.35 1s04 h ASN 58 Ca -0.28 -0.79 -0.01 0.00 -0.55 0.00 0.00 56.30 54.67 1s04 h ASN 58 Cb 1.16 -0.10 -0.10 0.00 0.05 0.00 0.00 38.32 39.33 1s04 h ASN 58 CO 0.44 1.06 0.12 -0.44 -1.65 0.00 0.00 177.43 176.96 1s04 s SER 59 N -6.46 -0.37 0.33 5.81 0.01 -1.26 -4.46 113.70 107.29 1s04 s SER 59 Ca -0.15 -0.32 0.04 0.00 1.31 0.00 0.00 55.95 56.83 1s04 s SER 59 Cb 0.01 0.61 0.65 0.00 0.21 0.00 0.00 66.02 67.50 1s04 s SER 59 CO 0.77 -1.06 1.91 -0.26 0.41 0.00 0.00 173.24 175.01 1s04 h PHE 60 N 2.10 0.92 -0.92 2.43 0.04 -1.92 -0.42 116.94 119.18 1s04 h PHE 60 Ca -0.29 0.02 0.09 0.00 2.80 0.00 0.00 57.97 60.60 1s04 h PHE 60 Cb 1.28 -0.30 -0.07 0.00 2.20 0.00 0.00 35.95 39.06 1s04 h PHE 60 CO 0.32 0.45 0.59 -0.09 -0.60 0.00 0.00 178.31 178.98 1s04 h ARG 61 N 0.88 0.91 0.00 1.51 2.43 -1.96 0.47 114.38 118.62 1s04 h ARG 61 Ca 0.38 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.38 1s04 h ARG 61 Cb 0.33 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1s04 h ARG 61 CO -0.15 0.60 -0.55 0.93 -1.51 0.00 0.00 179.97 179.30 1s04 h GLU 62 N 0.94 0.00 0.01 0.20 5.08 -1.50 -1.42 114.58 117.88 1s04 h GLU 62 Ca 0.42 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1s04 h GLU 62 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1s04 h GLU 62 CO -0.18 0.55 -0.00 0.52 -1.00 0.00 0.00 179.01 178.89 1s04 h MET 63 N 0.00 -0.01 -0.13 2.33 2.86 -0.16 0.11 114.93 119.93 1s04 h MET 63 Ca -0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1s04 h MET 63 Cb 1.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 1s04 h MET 63 CO 0.07 0.76 -0.10 -0.07 1.06 0.00 0.00 176.91 178.63 1s04 h LEU 64 N -0.79 0.19 0.00 1.22 3.38 -0.25 1.79 115.31 120.84 1s04 h LEU 64 Ca -0.00 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1s04 h LEU 64 Cb 0.77 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.48 1s04 h LEU 64 CO 0.00 0.32 -0.46 -0.33 0.09 0.00 0.00 178.44 178.06 1s04 h GLU 65 N 0.19 0.31 0.06 1.13 4.39 -1.29 0.81 114.58 120.19 1s04 h GLU 65 Ca 0.04 -0.34 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 1s04 h GLU 65 Cb 0.31 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1s04 h GLU 65 CO 0.02 1.03 -0.03 -0.22 -1.16 0.00 0.00 179.01 178.65 1s04 h LYS 66 N -0.27 -0.08 -0.07 2.33 3.64 -0.42 -3.37 116.57 118.32 1s04 h LYS 66 Ca -0.06 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1s04 h LYS 66 Cb 1.20 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1s04 h LYS 66 CO 0.09 -0.05 0.05 0.93 -2.27 0.00 0.00 179.45 178.19 1s04 h GLU 67 N -0.41 0.10 0.00 1.90 4.39 0.26 -3.49 114.58 117.32 1s04 h GLU 67 Ca -0.01 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1s04 h GLU 67 Cb 0.06 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1s04 h GLU 67 CO 0.01 0.07 0.00 0.41 -1.16 0.00 0.00 179.01 178.34 1s04 n GLY 68 N -1.09 3.87 0.49 -3.84 0.00 0.22 -4.70 105.19 100.12 1s04 n GLY 68 Ca -0.06 -1.05 -0.18 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.33 -1.71 0.99 5.85 0.23 0.13 115.31 119.46 1s04 h LEU 69 Ca 0.00 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1s04 h LEU 69 Cb 0.00 0.44 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1s04 h LEU 69 CO 0.00 -0.65 -0.13 -0.33 -0.34 0.00 0.00 178.44 176.99 1s04 h GLU 70 N -0.98 0.00 -0.67 1.25 5.08 -1.87 0.96 114.58 118.35 1s04 h GLU 70 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1s04 h GLU 70 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1s04 h GLU 70 CO -0.06 0.13 0.00 0.09 -1.00 0.00 0.00 179.01 178.17 1s04 n ASN 71 N -3.46 3.00 0.00 1.42 3.02 -0.53 -4.01 115.26 114.70 1s04 n ASN 71 Ca -0.01 -2.33 0.00 0.00 -0.03 0.00 0.00 54.58 52.20 1s04 n ASN 71 Cb 0.29 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 1s04 n ASN 71 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1s04 n VAL 72 N 0.40 0.00 -3.77 2.41 0.31 0.33 0.09 118.33 118.10 1s04 n VAL 72 Ca 0.14 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.17 1s04 n VAL 72 Cb 0.61 -0.42 -0.14 0.00 -0.91 0.00 0.00 33.84 32.98 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 -4.63 2.76 -0.28 7.52 2.96 0.32 -4.46 118.68 122.87 1s04 s LEU 73 Ca 0.00 -2.02 -0.29 0.00 -0.22 0.00 0.00 54.13 51.60 1s04 s LEU 73 Cb 0.00 -1.03 -0.00 0.00 0.50 0.00 0.00 46.19 45.65 1s04 s LEU 73 CO 0.00 -0.37 1.34 -2.16 -1.32 0.00 0.00 176.35 173.84 1s04 s PRO 74 N 1.13 3.93 0.00 0.98 0.04 -1.26 -2.80 135.00 137.02 1s04 s PRO 74 Ca 0.12 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1s04 s PRO 74 Cb -0.20 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1s04 s PRO 74 CO -0.15 -1.11 0.00 0.41 0.04 0.00 0.00 177.00 176.20 1s04 n GLY 75 N 4.29 0.71 3.27 0.56 0.00 -1.26 -5.09 105.19 107.68 1s04 n GLY 75 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 0.28 0.05 1.61 3.14 -1.12 -4.88 118.33 117.41 1s04 n VAL 76 Ca 0.00 -0.50 -0.17 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 0.14 0.24 -2.16 1.45 1.57 -1.91 -3.49 116.57 112.40 1s04 h LYS 77 Ca -0.39 -0.41 0.17 0.00 -1.87 0.00 0.00 60.65 58.15 1s04 h LYS 77 Cb 1.45 0.15 -0.12 0.00 0.08 0.00 0.00 32.23 33.79 1s04 h LYS 77 CO 0.44 1.08 0.55 -1.12 -0.57 0.00 0.00 179.45 179.83 1s04 s SER 78 N -6.93 -0.24 0.29 0.86 0.01 -1.26 -4.97 113.70 101.46 1s04 s SER 78 Ca -0.11 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.00 1s04 s SER 78 Cb 0.07 0.39 0.63 0.00 0.21 0.00 0.00 66.02 67.31 1s04 s SER 78 CO 0.84 -0.67 1.80 0.40 0.41 0.00 0.00 173.24 176.01 1s04 h ILE 79 N 2.00 0.79 -0.33 1.44 2.04 -1.99 0.55 117.51 122.01 1s04 h ILE 79 Ca -0.23 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 1s04 h ILE 79 Cb 1.23 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1s04 h ILE 79 CO 0.28 0.15 0.05 -0.33 0.00 0.00 0.00 178.15 178.30 1s04 h GLU 80 N 0.83 0.54 -0.76 2.37 4.39 -2.01 -2.75 114.58 117.19 1s04 h GLU 80 Ca 0.53 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 60.03 1s04 h GLU 80 Cb 0.69 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.25 1s04 h GLU 80 CO -0.33 0.63 0.27 0.93 -1.16 0.00 0.00 179.01 179.35 1s04 h GLU 81 N 0.37 1.15 -0.56 2.33 4.39 -1.36 -2.74 114.58 118.17 1s04 h GLU 81 Ca 0.10 -0.22 0.10 0.00 0.34 0.00 0.00 59.36 59.67 1s04 h GLU 81 Cb 0.35 -0.18 -0.08 0.00 -0.10 0.00 0.00 28.75 28.75 1s04 h GLU 81 CO 0.01 0.95 0.14 0.78 -1.16 0.00 0.00 179.01 179.72 1s04 h GLY 82 N 1.13 0.72 0.85 -3.84 0.00 0.21 0.13 103.07 102.28 1s04 h GLY 82 Ca 0.25 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.57 1s04 h GLY 82 CO -0.02 -0.08 0.54 -2.22 0.00 0.00 0.00 176.54 174.77 1s04 h ILE 83 N 0.28 1.12 -0.87 2.60 2.04 -1.21 -0.66 117.51 120.81 1s04 h ILE 83 Ca 0.29 -0.36 0.11 0.00 1.00 0.00 0.00 64.86 65.90 1s04 h ILE 83 Cb 0.40 -0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.40 1s04 h ILE 83 CO -0.35 0.19 0.56 1.56 0.00 0.00 0.00 178.15 180.11 1s04 h GLN 84 N 1.04 0.77 -0.08 2.37 7.50 -0.79 0.19 115.11 126.11 1s04 h GLN 84 Ca 0.34 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.44 1s04 h GLN 84 Cb 0.03 -0.17 -0.00 0.00 0.05 0.00 0.00 27.48 27.39 1s04 h GLN 84 CO -0.12 0.51 0.02 0.28 -1.50 0.00 0.00 178.83 178.01 1s04 h VAL 85 N 0.79 1.19 0.00 -0.54 2.07 -0.37 -1.25 116.25 118.14 1s04 h VAL 85 Ca 0.41 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1s04 h VAL 85 Cb 0.50 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1s04 h VAL 85 CO -0.18 0.17 -0.04 1.88 0.02 0.00 0.00 177.57 179.42 1s04 h TYR 86 N -0.08 0.00 -0.01 1.57 0.05 -0.65 0.32 116.97 118.17 1s04 h TYR 86 Ca 0.03 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.69 1s04 h TYR 86 Cb 0.25 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.99 1s04 h TYR 86 CO 0.01 0.04 -0.44 -0.09 -1.05 0.00 0.00 178.16 176.63 1s04 h ARG 87 N 0.00 0.31 -0.05 4.88 9.65 -0.09 0.77 114.38 129.85 1s04 h ARG 87 Ca -0.00 -0.33 -0.14 0.00 -1.10 0.00 0.00 59.98 58.41 1s04 h ARG 87 Cb 0.27 0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 1s04 h ARG 87 CO 0.01 1.02 -0.59 0.07 2.80 0.00 0.00 179.97 183.27 1s04 h ARG 88 N -0.26 0.18 0.00 0.20 0.11 -0.81 -3.31 114.38 110.49 1s04 h ARG 88 Ca -0.05 -0.12 -0.04 0.00 0.10 0.00 0.00 59.98 59.87 1s04 h ARG 88 Cb 1.17 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 1s04 h ARG 88 CO 0.09 0.72 -0.28 0.74 0.10 0.00 0.00 179.97 181.34 1s04 h PHE 89 N 0.13 0.00 -3.58 4.08 0.04 -0.99 -3.47 116.94 113.16 1s04 h PHE 89 Ca -0.00 0.00 -0.67 0.00 2.80 0.00 0.00 57.97 60.10 1s04 h PHE 89 Cb 1.08 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 39.06 1s04 h PHE 89 CO 0.02 0.72 -0.71 0.71 -0.60 0.00 0.00 178.31 178.45 1s04 s TYR 90 N -2.07 2.85 0.48 -0.55 2.02 0.27 -5.06 117.35 115.29 1s04 s TYR 90 Ca -0.15 -0.08 -0.23 0.00 -0.37 0.00 0.00 57.07 56.24 1s04 s TYR 90 Cb -0.00 -1.55 -0.07 0.00 -0.40 0.00 0.00 41.96 39.94 1s04 s TYR 90 CO 0.44 0.39 1.26 -0.51 -1.57 0.00 0.00 175.55 175.56 1s04 s ASP 91 N -1.73 5.88 0.14 2.29 1.01 -1.26 -3.79 116.67 119.20 1s04 s ASP 91 Ca 0.19 2.53 -0.08 0.00 0.71 0.00 0.00 52.55 55.90 1s04 s ASP 91 Cb -0.11 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.14 1s04 s ASP 91 CO 0.10 -1.14 1.38 -0.08 0.21 0.00 0.00 175.17 175.64 1s04 h GLU 92 N 1.95 0.66 0.36 8.23 4.57 -1.88 -2.21 114.58 126.26 1s04 h GLU 92 Ca -0.50 -0.51 -0.02 0.00 -1.18 0.00 0.00 59.36 57.15 1s04 h GLU 92 Cb 1.27 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.96 1s04 h GLU 92 CO 0.60 1.13 -0.17 1.49 -1.18 0.00 0.00 179.01 180.88 1s04 h GLU 93 N 0.46 -0.46 -0.82 1.92 4.57 -1.96 0.70 114.58 118.98 1s04 h GLU 93 Ca -0.03 0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 1s04 h GLU 93 Cb 1.32 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.95 1s04 h GLU 93 CO 0.14 -0.26 0.50 0.87 -1.18 0.00 0.00 179.01 179.08 1s04 h LYS 94 N -0.55 0.87 0.24 1.92 1.79 -1.96 0.84 116.57 119.71 1s04 h LYS 94 Ca -0.05 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 1s04 h LYS 94 Cb 0.41 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1s04 h LYS 94 CO 0.08 0.57 -0.11 1.49 -1.08 0.00 0.00 179.45 180.40 1s04 h GLU 95 N 0.89 -0.30 0.00 3.15 4.81 -1.08 -1.05 114.58 121.00 1s04 h GLU 95 Ca 0.37 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1s04 h GLU 95 Cb 0.21 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1s04 h GLU 95 CO -0.19 -0.05 0.00 0.87 -0.73 0.00 0.00 179.01 178.91 1s04 h LYS 96 N -0.53 0.00 0.26 1.92 1.79 0.93 1.59 116.57 122.52 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 0.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1s04 h LYS 96 CO 0.05 0.00 -0.13 -0.22 -1.08 0.00 0.00 179.45 178.08 1s04 h LYS 97 N 0.00 -0.34 0.00 3.15 3.64 0.14 -3.42 116.57 119.74 1s04 h LYS 97 Ca 0.00 0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.21 1s04 h LYS 97 Cb 0.22 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1s04 h LYS 97 CO 0.00 -0.19 -1.56 0.66 -2.27 0.00 0.00 179.45 176.09 1s04 n TYR 98 N -5.01 0.17 0.00 1.91 4.02 -0.46 -5.08 117.16 112.71 1s04 n TYR 98 Ca -0.05 0.07 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 1s04 n TYR 98 Cb 0.16 -0.76 0.00 0.00 -0.02 0.00 0.00 39.34 38.72 1s04 n TYR 98 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1s04 n GLY 99 N 1.39 0.38 3.28 2.72 0.00 0.54 -4.95 105.19 108.55 1s04 n GLY 99 Ca -0.30 -1.74 -0.24 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.90 1.68 -0.12 1.61 1.01 -1.25 -3.49 120.40 117.94 1s04 s VAL 100 Ca 0.00 -1.51 -0.02 0.00 0.00 0.00 0.00 61.98 60.45 1s04 s VAL 100 Cb 0.00 -1.52 0.04 0.00 0.00 0.00 0.00 36.38 34.90 1s04 s VAL 100 CO 0.00 -0.05 0.03 0.54 0.00 0.00 0.00 175.10 175.62 1s04 s VAL 101 N -1.14 0.33 -0.73 2.92 0.11 -1.21 0.86 120.40 121.53 1s04 s VAL 101 Ca 0.06 -0.09 -0.25 0.00 -2.93 0.00 0.00 61.98 58.77 1s04 s VAL 101 Cb -0.10 -0.66 0.05 0.00 -1.53 0.00 0.00 36.38 34.14 1s04 s VAL 101 CO 0.04 0.05 1.17 0.00 -3.33 0.00 0.00 175.10 173.03 1s04 s ALA 102 N 1.97 2.90 -0.35 1.54 0.00 0.13 -2.82 121.76 125.13 1s04 s ALA 102 Ca 0.03 -1.64 -0.22 0.00 0.00 0.00 0.00 51.96 50.13 1s04 s ALA 102 Cb -0.14 -4.12 0.00 0.00 0.00 0.00 0.00 23.12 18.86 1s04 s ALA 102 CO -0.06 -3.11 0.70 0.96 0.00 0.00 0.00 175.76 174.25 1s04 s ILE 103 N 4.99 4.83 -0.40 0.00 -0.00 -1.21 -3.51 121.20 125.89 1s04 s ILE 103 Ca 0.31 0.79 -0.29 0.00 -0.00 0.00 0.00 60.65 61.46 1s04 s ILE 103 Cb -0.11 -4.12 0.01 0.00 -0.00 0.00 0.00 42.46 38.24 1s04 s ILE 103 CO 0.11 -0.32 1.41 -0.70 -0.00 0.00 0.00 174.94 175.44 1s04 s GLU 104 N 2.85 3.59 0.34 0.37 2.12 -0.91 -3.92 118.70 123.14 1s04 s GLU 104 Ca 0.28 0.97 0.07 0.00 0.36 0.00 0.00 54.97 56.65 1s04 s GLU 104 Cb -0.14 -4.02 -0.02 0.00 0.26 0.00 0.00 34.13 30.21 1s04 s GLU 104 CO 0.15 -1.54 0.32 0.96 -0.54 0.00 0.00 175.26 174.61 1s04 s ILE 105 N 5.38 3.62 -0.31 -3.70 -0.00 -1.26 0.22 121.20 125.14 1s04 s ILE 105 Ca 0.61 -1.32 -0.00 0.00 -0.00 0.00 0.00 60.65 59.94 1s04 s ILE 105 Cb -0.14 -3.22 0.14 0.00 -0.00 0.00 0.00 42.46 39.24 1s04 s ILE 105 CO 0.32 -0.17 0.28 -0.70 -0.00 0.00 0.00 174.94 174.67 1s04 s GLU 106 N -4.02 0.39 -0.59 0.37 2.56 -0.77 -4.68 118.70 111.95 1s04 s GLU 106 Ca 0.41 -0.44 -0.27 0.00 0.00 0.00 0.00 54.97 54.67 1s04 s GLU 106 Cb -0.06 -0.79 0.01 0.00 2.00 0.00 0.00 34.13 35.28 1s04 s GLU 106 CO 0.27 -1.08 1.51 -1.25 -0.56 0.00 0.00 175.26 174.16 1s04 s PRO 107 N 2.03 3.13 -1.02 4.30 0.04 -1.26 -1.42 135.00 140.82 1s04 s PRO 107 Ca 0.12 0.43 -0.12 0.00 0.04 0.00 0.00 61.00 61.47 1s04 s PRO 107 Cb -0.15 -4.20 0.24 0.00 0.04 0.00 0.00 34.50 30.43 1s04 s PRO 107 CO -0.25 -2.15 1.03 -0.48 0.04 0.00 0.00 177.00 175.19 1s04 s LEU 108 N 6.73 6.29 0.00 -3.56 2.34 -0.98 -4.80 118.68 124.70 1s04 s LEU 108 Ca 0.54 -3.15 0.00 0.00 0.06 0.00 0.00 54.13 51.58 1s04 s LEU 108 Cb -0.11 -2.24 0.00 0.00 -0.56 0.00 0.00 46.19 43.28 1s04 s LEU 108 CO 0.23 -0.47 0.00 1.21 -1.06 0.00 0.00 176.35 176.26 1s04 n GLU 109 N 3.62 0.00 0.00 1.48 2.13 -1.26 -4.81 120.64 121.80 1s04 n GLU 109 Ca 0.22 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.04 1s04 n GLU 109 Cb 0.43 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.14 1s04 n GLU 109 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70