#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 0.98 0.02 0.03 2.56 -1.26 -4.65 118.70 116.38 1s04 s GLU 2 Ca 0.00 -1.30 0.06 0.00 0.00 0.00 0.00 54.97 53.73 1s04 s GLU 2 Cb 0.00 -0.67 -0.03 0.00 2.00 0.00 0.00 34.13 35.43 1s04 s GLU 2 CO 0.00 0.10 -0.17 -1.58 -0.56 0.00 0.00 175.26 173.05 1s04 s TRP 3 N -2.74 2.58 0.09 5.30 0.52 -0.83 -5.05 118.94 118.81 1s04 s TRP 3 Ca 0.11 -0.24 0.08 0.00 0.02 0.00 0.00 56.10 56.07 1s04 s TRP 3 Cb -0.01 -1.50 -0.03 0.00 -1.15 0.00 0.00 33.47 30.77 1s04 s TRP 3 CO 0.01 0.23 -0.20 -1.83 0.02 0.00 0.00 176.95 175.17 1s04 s GLU 4 N -1.26 1.14 0.08 4.98 -1.05 -1.26 -0.08 118.70 121.26 1s04 s GLU 4 Ca 0.14 -1.11 -0.01 0.00 -0.15 0.00 0.00 54.97 53.84 1s04 s GLU 4 Cb -0.11 -1.36 0.00 0.00 -0.44 0.00 0.00 34.13 32.23 1s04 s GLU 4 CO 0.04 0.32 0.13 -1.33 0.95 0.00 0.00 175.26 175.37 1s04 n MET 5 N 1.23 0.18 -3.55 -4.83 2.81 0.45 -4.86 117.12 108.55 1s04 n MET 5 Ca -0.19 -0.59 -0.17 0.00 -1.81 0.00 0.00 57.70 54.94 1s04 n MET 5 Cb 0.54 0.60 -0.06 0.00 -0.71 0.00 0.00 33.22 33.59 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 -1.48 -0.57 -0.01 3.03 0.00 -1.26 -0.46 107.32 106.57 1s04 s GLY 6 Ca 0.06 1.50 -0.29 0.00 0.00 0.00 0.00 44.72 45.99 1s04 s GLY 6 CO 0.04 1.17 1.00 0.48 0.00 0.00 0.00 173.10 175.79 1s04 s LEU 7 N -0.77 -0.25 0.56 0.66 2.34 -1.26 -4.90 118.68 115.06 1s04 s LEU 7 Ca -0.08 -0.10 -0.19 0.00 0.06 0.00 0.00 54.13 53.82 1s04 s LEU 7 Cb -0.01 1.88 -0.07 0.00 -0.56 0.00 0.00 46.19 47.42 1s04 s LEU 7 CO 0.08 -0.58 0.83 1.67 -1.06 0.00 0.00 176.35 177.29 1s04 n GLN 8 N -0.29 0.85 -0.32 1.48 7.27 -1.26 -4.66 117.38 120.45 1s04 n GLN 8 Ca -0.06 0.32 0.08 0.00 0.07 0.00 0.00 57.00 57.41 1s04 n GLN 8 Cb 0.61 -1.99 0.28 0.00 2.41 0.00 0.00 30.24 31.55 1s04 n GLN 8 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1s04 h GLU 9 N 0.60 0.88 -0.33 3.69 4.81 -2.01 0.18 114.58 122.40 1s04 h GLU 9 Ca -0.47 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.64 1s04 h GLU 9 Cb 1.37 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1s04 h GLU 9 CO 0.51 0.58 -0.08 0.93 -0.73 0.00 0.00 179.01 180.22 1s04 h GLU 10 N 0.91 0.55 0.00 1.92 5.08 -2.01 -2.20 114.58 118.83 1s04 h GLU 10 Ca 0.46 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.56 1s04 h GLU 10 Cb 0.51 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1s04 h GLU 10 CO -0.23 0.63 -0.57 0.35 -1.00 0.00 0.00 179.01 178.19 1s04 h PHE 11 N 0.51 0.00 -0.26 4.33 3.04 -1.10 -2.92 116.94 120.54 1s04 h PHE 11 Ca 0.10 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.98 1s04 h PHE 11 Cb 0.45 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.94 1s04 h PHE 11 CO 0.02 0.57 -0.15 -0.07 -2.02 0.00 0.00 178.31 176.66 1s04 h LEU 12 N 0.00 0.43 -0.43 0.59 4.07 -0.24 -2.27 115.31 117.46 1s04 h LEU 12 Ca -0.01 -0.11 -0.17 0.00 0.08 0.00 0.00 57.88 57.67 1s04 h LEU 12 Cb 1.20 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.81 1s04 h LEU 12 CO 0.07 0.60 -0.78 -0.08 -1.08 0.00 0.00 178.44 177.18 1s04 h GLU 13 N 0.41 0.13 -0.62 1.13 4.57 -1.37 -3.17 114.58 115.65 1s04 h GLU 13 Ca 0.07 -0.13 0.10 0.00 -1.18 0.00 0.00 59.36 58.23 1s04 h GLU 13 Cb 0.50 0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 29.04 1s04 h GLU 13 CO 0.03 0.84 0.21 -0.07 -1.18 0.00 0.00 179.01 178.85 1s04 h LEU 14 N 0.08 0.18 -0.56 1.64 3.38 -1.22 0.39 115.31 119.20 1s04 h LEU 14 Ca -0.02 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1s04 h LEU 14 Cb 1.36 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.17 1s04 h LEU 14 CO 0.11 0.10 0.36 0.40 0.09 0.00 0.00 178.44 179.50 1s04 h ILE 15 N 0.38 1.10 -0.73 1.22 5.03 -1.51 0.31 117.51 123.30 1s04 h ILE 15 Ca 0.32 -0.25 0.16 0.00 -0.12 0.00 0.00 64.86 64.98 1s04 h ILE 15 Cb 0.43 0.33 -0.04 0.00 -3.03 0.00 0.00 36.82 34.50 1s04 h ILE 15 CO -0.34 0.13 0.50 0.11 -0.68 0.00 0.00 178.15 177.87 1s04 h LYS 16 N 0.71 0.29 0.00 2.37 1.57 -0.98 0.78 116.57 121.31 1s04 h LYS 16 Ca 0.21 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1s04 h LYS 16 Cb -0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1s04 h LYS 16 CO -0.07 0.19 -0.66 -0.07 -0.57 0.00 0.00 179.45 178.27 1s04 h LEU 17 N 0.30 0.00 0.00 2.94 3.38 0.03 -3.20 115.31 118.76 1s04 h LEU 17 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1s04 h LEU 17 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1s04 h LEU 17 CO -0.09 0.15 0.00 0.54 0.09 0.00 0.00 178.44 179.13 1s04 n ARG 18 N -2.92 0.58 0.06 1.13 1.74 0.27 -2.31 116.66 115.21 1s04 n ARG 18 Ca 0.00 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.19 1s04 n ARG 18 Cb 0.61 -1.49 0.43 0.00 -1.02 0.00 0.00 32.46 30.98 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 -0.99 0.10 0.00 5.56 4.81 -1.04 -2.37 118.16 124.22 1s04 n LYS 19 Ca 0.14 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 1s04 n LYS 19 Cb 0.06 -1.67 0.00 0.00 0.02 0.00 0.00 35.03 33.44 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 -1.85 0.05 0.00 1.64 5.02 -0.98 -4.98 118.16 117.06 1s04 n LYS 20 Ca 0.04 -0.55 0.00 0.00 -2.02 0.00 0.00 58.31 55.78 1s04 n LYS 20 Cb 0.25 -0.83 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 4.76 -1.00 -5.07 118.16 114.96 1s04 n LYS 21 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 1s04 n LYS 21 Cb 0.15 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.34 1s04 n LYS 21 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1s04 s ILE 22 N 2.53 0.00 -0.27 -0.18 -1.09 0.40 -4.96 121.20 117.63 1s04 s ILE 22 Ca 0.00 -0.62 -0.01 0.00 -2.23 0.00 0.00 60.65 57.80 1s04 s ILE 22 Cb 0.00 -2.25 0.14 0.00 -1.58 0.00 0.00 42.46 38.77 1s04 s ILE 22 CO 0.00 0.00 0.32 -0.70 -1.23 0.00 0.00 174.94 173.33 1s04 s GLU 23 N -2.90 0.33 0.12 2.79 2.12 -1.16 -4.17 118.70 115.83 1s04 s GLU 23 Ca 0.15 0.07 0.09 0.00 0.36 0.00 0.00 54.97 55.64 1s04 s GLU 23 Cb -0.01 -0.63 -0.04 0.00 0.26 0.00 0.00 34.13 33.71 1s04 s GLU 23 CO 0.03 -0.92 -0.23 0.20 -0.54 0.00 0.00 175.26 173.80 1s04 s GLY 24 N 2.42 1.39 0.16 -1.50 0.00 -1.26 -2.17 107.32 106.36 1s04 s GLY 24 Ca 0.10 -1.36 -0.23 0.00 0.00 0.00 0.00 44.72 43.22 1s04 s GLY 24 CO -0.27 -1.36 0.67 0.50 0.00 0.00 0.00 173.10 172.64 1s04 s ARG 25 N -2.07 1.31 -0.29 2.90 0.52 -1.00 -4.92 118.95 115.40 1s04 s ARG 25 Ca 0.10 -0.54 -0.31 0.00 -0.52 0.00 0.00 55.73 54.46 1s04 s ARG 25 Cb -0.10 0.56 -0.08 0.00 0.52 0.00 0.00 34.95 35.86 1s04 s ARG 25 CO 0.05 -0.58 2.22 -0.11 0.02 0.00 0.00 175.30 176.90 1s04 n LEU 26 N -0.38 2.69 -4.05 2.53 7.94 -1.26 -2.45 117.00 122.03 1s04 n LEU 26 Ca -0.13 0.28 -0.27 0.00 -1.11 0.00 0.00 56.01 54.78 1s04 n LEU 26 Cb 0.63 -1.42 0.09 0.00 0.53 0.00 0.00 43.42 43.26 1s04 n LEU 26 CO 0.12 -0.73 -0.89 0.00 -1.11 0.00 0.00 177.39 174.78 1s04 n TYR 27 N 10.96 -1.57 -3.79 1.96 4.19 -1.21 -4.95 117.16 122.75 1s04 n TYR 27 Ca 0.36 0.36 -0.02 0.00 3.31 0.00 0.00 57.90 61.91 1s04 n TYR 27 Cb 0.35 -1.43 0.00 0.00 0.49 0.00 0.00 39.34 38.75 1s04 n TYR 27 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 1s04 s ASP 28 N -1.47 -0.08 0.09 2.98 1.01 -1.26 -4.98 116.67 112.95 1s04 s ASP 28 Ca 0.37 -0.44 -0.22 0.00 0.71 0.00 0.00 52.55 52.97 1s04 s ASP 28 Cb -0.01 0.42 -0.12 0.00 1.01 0.00 0.00 42.92 44.22 1s04 s ASP 28 CO 0.49 -0.80 1.67 -0.33 0.21 0.00 0.00 175.17 176.41 1s04 h GLU 29 N 2.00 0.15 -0.75 8.23 5.08 -1.98 1.13 114.58 128.43 1s04 h GLU 29 Ca -0.26 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1s04 h GLU 29 Cb 1.22 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 1s04 h GLU 29 CO 0.30 0.19 0.48 -0.22 -1.00 0.00 0.00 179.01 178.76 1s04 h LYS 30 N 0.06 1.00 -0.35 2.33 3.11 -2.00 -1.98 116.57 118.74 1s04 h LYS 30 Ca 0.04 -0.07 -0.10 0.00 -2.81 0.00 0.00 60.65 57.70 1s04 h LYS 30 Cb 0.09 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.09 1s04 h LYS 30 CO -0.01 0.68 -0.19 0.00 -2.81 0.00 0.00 179.45 177.13 1s04 h ARG 31 N 1.02 0.74 -0.88 1.90 3.08 -1.85 -2.98 114.38 115.41 1s04 h ARG 31 Ca 0.27 -0.33 0.17 0.00 0.07 0.00 0.00 59.98 60.16 1s04 h ARG 31 Cb -0.09 -0.02 -0.10 0.00 0.08 0.00 0.00 29.97 29.84 1s04 h ARG 31 CO -0.06 0.94 0.45 -0.09 -1.07 0.00 0.00 179.97 180.15 1s04 h ARG 32 N 0.52 0.57 0.00 0.04 2.43 0.18 0.70 114.38 118.83 1s04 h ARG 32 Ca 0.07 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1s04 h ARG 32 Cb 0.73 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1s04 h ARG 32 CO 0.05 0.38 -0.15 0.37 -1.51 0.00 0.00 179.97 179.11 1s04 h GLN 33 N 0.59 0.00 -6.49 0.20 4.15 -1.23 -3.41 115.11 108.91 1s04 h GLN 33 Ca 0.50 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 59.39 1s04 h GLN 33 Cb 0.77 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.47 1s04 h GLN 33 CO -0.40 0.15 0.58 0.42 -1.93 0.00 0.00 178.83 177.65 1s04 s ILE 34 N -4.41 3.95 0.26 2.39 1.01 0.25 -5.03 121.20 119.62 1s04 s ILE 34 Ca -0.03 1.40 0.04 0.00 0.00 0.00 0.00 60.65 62.06 1s04 s ILE 34 Cb 0.14 -3.90 -0.06 0.00 0.01 0.00 0.00 42.46 38.66 1s04 s ILE 34 CO 0.64 0.11 -0.00 -1.59 0.00 0.00 0.00 174.94 174.10 1s04 s LYS 35 N 1.03 1.45 -1.03 2.79 0.00 -1.26 -4.97 119.74 117.74 1s04 s LYS 35 Ca 0.59 -1.75 -0.23 0.00 0.00 0.00 0.00 55.97 54.58 1s04 s LYS 35 Cb -0.30 -0.78 0.00 0.00 0.00 0.00 0.00 37.83 36.75 1s04 s LYS 35 CO 0.29 -0.09 1.72 -1.25 0.00 0.00 0.00 175.35 176.03 1s04 s PRO 36 N -3.84 3.13 0.00 1.78 0.04 -1.26 -4.10 135.00 130.74 1s04 s PRO 36 Ca 0.30 -0.92 0.00 0.00 0.04 0.00 0.00 61.00 60.43 1s04 s PRO 36 Cb 0.06 -5.26 0.00 0.00 0.04 0.00 0.00 34.50 29.34 1s04 s PRO 36 CO 0.11 -2.85 0.00 0.41 0.04 0.00 0.00 177.00 174.70 1s04 n GLY 37 N 6.58 -0.39 0.05 0.56 0.00 -1.25 -4.87 105.19 105.88 1s04 n GLY 37 Ca 0.39 0.14 -0.00 0.00 0.00 0.00 0.00 46.02 46.54 1s04 n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s04 n ASP 38 N 0.00 -0.03 -4.06 1.61 8.00 -1.26 -5.04 116.55 115.78 1s04 n ASP 38 Ca 0.00 -1.02 -0.12 0.00 0.71 0.00 0.00 54.79 54.36 1s04 n ASP 38 Cb 0.00 0.05 -0.11 0.00 -0.02 0.00 0.00 41.12 41.03 1s04 n ASP 38 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s04 s VAL 39 N -2.73 0.47 -0.01 2.53 1.01 -1.26 -3.15 120.40 117.26 1s04 s VAL 39 Ca 0.00 -1.13 0.06 0.00 0.00 0.00 0.00 61.98 60.91 1s04 s VAL 39 Cb -0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 1s04 s VAL 39 CO 0.00 -0.45 -0.18 -0.63 0.00 0.00 0.00 175.10 173.84 1s04 s ILE 40 N -1.61 1.42 -0.08 2.22 1.01 0.25 -1.97 121.20 122.44 1s04 s ILE 40 Ca -0.09 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.78 1s04 s ILE 40 Cb -0.09 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 1s04 s ILE 40 CO -0.00 0.36 -0.16 -0.94 0.00 0.00 0.00 174.94 174.20 1s04 s SER 41 N -0.52 3.83 -0.12 3.58 1.04 0.89 -0.82 113.70 121.57 1s04 s SER 41 Ca 0.07 -0.30 -0.00 0.00 0.48 0.00 0.00 55.95 56.19 1s04 s SER 41 Cb -0.07 -1.08 -0.02 0.00 0.10 0.00 0.00 66.02 64.95 1s04 s SER 41 CO -0.00 0.27 -0.11 -0.36 0.98 0.00 0.00 173.24 174.02 1s04 s PHE 42 N -0.28 2.85 -1.25 5.02 0.08 -0.44 0.17 117.98 124.13 1s04 s PHE 42 Ca 0.01 -0.49 -0.08 0.00 0.12 0.00 0.00 56.93 56.50 1s04 s PHE 42 Cb -0.13 -1.84 0.01 0.00 -0.57 0.00 0.00 43.02 40.49 1s04 s PHE 42 CO 0.03 -0.10 1.09 0.39 -0.10 0.00 0.00 175.22 176.52 1s04 n GLU 43 N 3.33 -7.33 0.00 0.44 -0.58 0.39 -1.12 120.64 115.76 1s04 n GLU 43 Ca -0.18 0.77 0.00 0.00 -0.42 0.00 0.00 57.16 57.34 1s04 n GLU 43 Cb 0.53 -5.66 0.00 0.00 -0.57 0.00 0.00 31.44 25.74 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 -1.84 2.32 0.97 0.62 0.00 -1.26 -3.99 105.19 102.02 1s04 n GLY 44 Ca -0.02 -0.49 -0.00 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 -0.54 0.20 -0.02 0.00 -1.16 -4.84 105.19 98.83 1s04 n GLY 45 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 0.70 -3.89 1.61 3.11 -1.25 -3.44 116.57 113.44 1s04 h LYS 46 Ca -0.05 -0.74 -0.44 0.00 -2.81 0.00 0.00 60.65 56.62 1s04 h LYS 46 Cb 0.76 0.21 -0.36 0.00 -1.00 0.00 0.00 32.23 31.83 1s04 h LYS 46 CO -0.02 1.32 -0.77 -1.17 -2.81 0.00 0.00 179.45 175.99 1s04 s LEU 47 N -8.15 0.95 -0.10 5.20 1.98 -1.20 -4.99 118.68 112.37 1s04 s LEU 47 Ca -0.10 -0.13 -0.02 0.00 -2.89 0.00 0.00 54.13 50.99 1s04 s LEU 47 Cb 0.07 -0.50 -0.03 0.00 0.66 0.00 0.00 46.19 46.39 1s04 s LEU 47 CO 0.92 -0.13 -0.00 -0.54 -1.89 0.00 0.00 176.35 174.70 1s04 s LYS 48 N 1.54 3.13 0.08 1.98 -0.14 -1.26 -1.33 119.74 123.74 1s04 s LYS 48 Ca -0.01 -0.42 0.01 0.00 -1.36 0.00 0.00 55.97 54.19 1s04 s LYS 48 Cb -0.13 -2.83 -0.04 0.00 -1.68 0.00 0.00 37.83 33.15 1s04 s LYS 48 CO -0.04 0.62 -0.06 0.14 -0.76 0.00 0.00 175.35 175.25 1s04 s VAL 49 N -0.64 0.57 -0.05 3.17 -7.23 -0.01 -2.61 120.40 113.60 1s04 s VAL 49 Ca 0.10 -1.81 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 1s04 s VAL 49 Cb -0.12 -1.52 0.02 0.00 0.56 0.00 0.00 36.38 35.33 1s04 s VAL 49 CO 0.02 -0.85 -0.06 -0.60 -0.31 0.00 0.00 175.10 173.31 1s04 s ARG 50 N -3.59 0.97 0.41 4.82 3.52 -1.04 0.87 118.95 124.91 1s04 s ARG 50 Ca 0.08 -0.15 -0.26 0.00 -0.13 0.00 0.00 55.73 55.27 1s04 s ARG 50 Cb 0.04 -0.94 -0.09 0.00 -1.56 0.00 0.00 34.95 32.40 1s04 s ARG 50 CO -0.05 -0.07 1.34 0.08 -0.81 0.00 0.00 175.30 175.79 1s04 s VAL 51 N 0.90 2.46 -0.10 7.11 1.01 -1.19 -1.92 120.40 128.66 1s04 s VAL 51 Ca -0.11 0.42 -0.00 0.00 0.00 0.00 0.00 61.98 62.28 1s04 s VAL 51 Cb -0.15 -3.25 -0.06 0.00 0.00 0.00 0.00 36.38 32.92 1s04 s VAL 51 CO 0.01 0.07 -0.10 1.17 0.00 0.00 0.00 175.10 176.24 1s04 n LYS 52 N 0.13 0.25 -3.60 2.72 4.81 0.23 -3.80 118.16 118.90 1s04 n LYS 52 Ca 0.04 0.07 -0.05 0.00 -0.87 0.00 0.00 58.31 57.49 1s04 n LYS 52 Cb 0.43 -1.15 -0.02 0.00 0.02 0.00 0.00 35.03 34.31 1s04 n LYS 52 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1s04 s ALA 53 N -2.20 -1.88 0.11 3.14 0.00 -1.13 -4.76 121.76 115.04 1s04 s ALA 53 Ca -0.14 0.87 0.10 0.00 0.00 0.00 0.00 51.96 52.80 1s04 s ALA 53 Cb 0.04 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 1s04 s ALA 53 CO 0.23 -0.80 -0.26 -1.50 0.00 0.00 0.00 175.76 173.42 1s04 s ILE 54 N -2.93 2.18 0.04 0.00 2.07 -1.26 -1.82 121.20 119.48 1s04 s ILE 54 Ca 0.09 -1.68 -0.16 0.00 -1.41 0.00 0.00 60.65 57.49 1s04 s ILE 54 Cb -0.00 -1.93 0.03 0.00 0.13 0.00 0.00 42.46 40.69 1s04 s ILE 54 CO -0.05 0.12 0.37 -0.13 -1.91 0.00 0.00 174.94 173.34 1s04 s ARG 55 N -1.91 0.87 0.04 3.50 0.52 -1.22 -4.98 118.95 115.77 1s04 s ARG 55 Ca 0.13 -0.41 0.06 0.00 -0.52 0.00 0.00 55.73 55.00 1s04 s ARG 55 Cb -0.10 0.38 -0.02 0.00 0.52 0.00 0.00 34.95 35.73 1s04 s ARG 55 CO 0.05 -0.29 -0.19 0.08 0.02 0.00 0.00 175.30 174.98 1s04 s VAL 56 N -2.45 1.50 0.37 3.52 1.01 -1.26 -2.14 120.40 120.95 1s04 s VAL 56 Ca -0.05 -1.10 0.04 0.00 0.00 0.00 0.00 61.98 60.86 1s04 s VAL 56 Cb -0.01 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1s04 s VAL 56 CO -0.02 0.18 0.11 -0.31 0.00 0.00 0.00 175.10 175.05 1s04 s TYR 57 N -0.77 1.81 0.02 5.22 1.51 0.21 -4.90 117.35 120.45 1s04 s TYR 57 Ca 0.06 -1.19 -0.19 0.00 -1.01 0.00 0.00 57.07 54.73 1s04 s TYR 57 Cb -0.08 -1.16 -0.21 0.00 -0.11 0.00 0.00 41.96 40.39 1s04 s TYR 57 CO 0.01 -0.23 1.15 -0.91 -1.11 0.00 0.00 175.55 174.46 1s04 h ASN 58 N 1.93 0.56 -5.06 2.29 2.35 -1.93 -3.28 115.58 112.45 1s04 h ASN 58 Ca -0.37 -0.71 0.02 0.00 -0.55 0.00 0.00 56.30 54.68 1s04 h ASN 58 Cb 1.26 -0.17 -0.08 0.00 0.05 0.00 0.00 38.32 39.38 1s04 h ASN 58 CO 0.60 1.20 0.12 -0.44 -1.65 0.00 0.00 177.43 177.26 1s04 s SER 59 N -6.72 -0.28 0.35 5.81 0.01 -1.26 -4.49 113.70 107.13 1s04 s SER 59 Ca -0.13 -0.53 0.06 0.00 1.31 0.00 0.00 55.95 56.66 1s04 s SER 59 Cb 0.04 0.65 0.74 0.00 0.21 0.00 0.00 66.02 67.66 1s04 s SER 59 CO 0.82 -1.19 1.92 -0.26 0.41 0.00 0.00 173.24 174.95 1s04 h PHE 60 N 2.09 0.82 -0.28 2.43 0.04 -1.93 -1.58 116.94 118.53 1s04 h PHE 60 Ca -0.25 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.59 1s04 h PHE 60 Cb 1.26 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 39.11 1s04 h PHE 60 CO 0.38 0.39 0.05 -0.09 -0.60 0.00 0.00 178.31 178.43 1s04 h ARG 61 N 0.77 0.14 0.00 1.51 2.43 -1.96 0.57 114.38 117.85 1s04 h ARG 61 Ca 0.37 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.51 1s04 h ARG 61 Cb 0.40 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1s04 h ARG 61 CO -0.14 0.09 -0.10 0.93 -1.51 0.00 0.00 179.97 179.25 1s04 h GLU 62 N 0.15 0.00 -0.00 0.20 3.07 -1.71 1.61 114.58 117.90 1s04 h GLU 62 Ca 0.13 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.98 1s04 h GLU 62 Cb 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1s04 h GLU 62 CO -0.18 0.10 -0.04 0.52 -1.40 0.00 0.00 179.01 178.00 1s04 h MET 63 N 0.00 0.03 0.00 2.33 2.86 -0.52 -0.78 114.93 118.86 1s04 h MET 63 Ca -0.00 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.50 1s04 h MET 63 Cb 0.17 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1s04 h MET 63 CO 0.01 0.81 -0.51 -0.07 1.06 0.00 0.00 176.91 178.21 1s04 h LEU 64 N -0.73 0.00 -0.13 1.22 -0.00 0.36 0.96 115.31 116.99 1s04 h LEU 64 Ca -0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.76 1s04 h LEU 64 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.48 1s04 h LEU 64 CO 0.01 0.51 -0.37 -0.33 -0.00 0.00 0.00 178.44 178.26 1s04 h GLU 65 N 0.00 0.48 0.00 1.13 4.39 0.23 0.12 114.58 120.92 1s04 h GLU 65 Ca -0.01 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1s04 h GLU 65 Cb 1.06 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1s04 h GLU 65 CO 0.07 0.96 -0.16 -0.22 -1.16 0.00 0.00 179.01 178.50 1s04 h LYS 66 N 0.08 0.00 0.51 2.33 3.64 -1.07 -3.40 116.57 118.65 1s04 h LYS 66 Ca -0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1s04 h LYS 66 Cb 0.99 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1s04 h LYS 66 CO 0.08 0.00 -0.24 1.49 -2.27 0.00 0.00 179.45 178.51 1s04 h GLU 67 N -0.66 -0.66 0.00 1.90 4.57 0.78 -3.49 114.58 117.02 1s04 h GLU 67 Ca 0.00 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1s04 h GLU 67 Cb 0.16 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1s04 h GLU 67 CO 0.00 -0.43 0.00 0.41 -1.18 0.00 0.00 179.01 177.81 1s04 n GLY 68 N -1.33 4.05 0.50 1.92 0.00 0.00 -4.79 105.19 105.55 1s04 n GLY 68 Ca -0.12 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.12 0.00 0.99 5.85 -1.17 -1.08 115.31 118.78 1s04 h LEU 69 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1s04 h LEU 69 Cb 0.00 0.31 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1s04 h LEU 69 CO 0.00 -0.76 0.00 -0.62 -0.34 0.00 0.00 178.44 176.72 1s04 n GLU 70 N -5.63 0.05 -0.20 1.25 1.02 -1.26 0.77 120.64 116.64 1s04 n GLU 70 Ca -0.16 0.29 0.10 0.00 -0.02 0.00 0.00 57.16 57.37 1s04 n GLU 70 Cb 0.50 -1.50 0.27 0.00 -0.02 0.00 0.00 31.44 30.69 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 -1.43 2.75 0.06 1.62 3.02 -0.47 -4.21 115.26 116.60 1s04 n ASN 71 Ca 0.03 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.66 1s04 n ASN 71 Cb 0.10 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 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 1.02 0.04 -3.81 2.41 0.31 0.25 0.15 118.33 118.70 1s04 n VAL 72 Ca 0.18 0.01 -0.33 0.00 -0.01 0.00 0.00 64.34 64.19 1s04 n VAL 72 Cb 0.47 -0.58 -0.11 0.00 -0.91 0.00 0.00 33.84 32.71 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 -5.85 4.92 -0.29 7.52 2.96 0.23 -4.79 118.68 123.39 1s04 s LEU 73 Ca 0.00 -3.17 -0.29 0.00 -0.22 0.00 0.00 54.13 50.45 1s04 s LEU 73 Cb 0.00 -1.76 -0.00 0.00 0.50 0.00 0.00 46.19 44.92 1s04 s LEU 73 CO 0.00 -0.26 1.35 -2.16 -1.32 0.00 0.00 176.35 173.96 1s04 s PRO 74 N -0.52 3.89 0.00 0.98 0.04 -1.26 -2.93 135.00 135.20 1s04 s PRO 74 Ca 0.20 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1s04 s PRO 74 Cb -0.18 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1s04 s PRO 74 CO -0.05 -1.16 0.00 0.41 0.04 0.00 0.00 177.00 176.24 1s04 n GLY 75 N 4.38 1.65 2.87 0.56 0.00 -1.26 -5.09 105.19 108.30 1s04 n GLY 75 Ca 0.15 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 0.04 1.61 3.14 -1.15 -4.88 118.33 117.10 1s04 n VAL 76 Ca 0.00 -0.46 -0.15 0.00 -2.96 0.00 0.00 64.34 60.77 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 -0.53 0.18 -1.74 1.45 1.57 -1.93 -3.49 116.57 112.08 1s04 h LYS 77 Ca -0.39 -0.31 0.28 0.00 -1.87 0.00 0.00 60.65 58.36 1s04 h LYS 77 Cb 1.26 0.11 -0.11 0.00 0.08 0.00 0.00 32.23 33.58 1s04 h LYS 77 CO 0.29 1.00 0.72 0.45 -0.57 0.00 0.00 179.45 181.34 1s04 s SER 78 N -6.80 -0.09 0.38 0.86 0.15 -1.26 -4.97 113.70 101.97 1s04 s SER 78 Ca -0.08 -0.23 0.08 0.00 0.70 0.00 0.00 55.95 56.42 1s04 s SER 78 Cb 0.07 0.27 0.82 0.00 -1.71 0.00 0.00 66.02 65.47 1s04 s SER 78 CO 0.84 -0.49 1.96 0.40 1.20 0.00 0.00 173.24 177.14 1s04 h ILE 79 N 2.00 0.98 -0.14 6.45 2.04 -1.99 0.17 117.51 127.02 1s04 h ILE 79 Ca -0.28 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 1s04 h ILE 79 Cb 1.21 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1s04 h ILE 79 CO 0.28 0.12 0.02 -0.33 0.00 0.00 0.00 178.15 178.23 1s04 h GLU 80 N 0.66 0.23 -0.63 2.37 4.39 -2.01 -2.87 114.58 116.72 1s04 h GLU 80 Ca 0.31 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.91 1s04 h GLU 80 Cb 0.35 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 1s04 h GLU 80 CO -0.10 0.42 0.25 0.93 -1.16 0.00 0.00 179.01 179.35 1s04 h GLU 81 N -0.00 0.93 -0.76 2.33 4.39 -1.64 -2.49 114.58 117.33 1s04 h GLU 81 Ca 0.04 -0.15 0.13 0.00 0.34 0.00 0.00 59.36 59.72 1s04 h GLU 81 Cb 0.31 -0.16 -0.09 0.00 -0.10 0.00 0.00 28.75 28.71 1s04 h GLU 81 CO 0.00 0.76 0.35 0.78 -1.16 0.00 0.00 179.01 179.74 1s04 h GLY 82 N 1.01 1.17 1.27 -3.84 0.00 -0.50 0.16 103.07 102.34 1s04 h GLY 82 Ca 0.21 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 1s04 h GLY 82 CO -0.02 -0.03 0.14 -2.22 0.00 0.00 0.00 176.54 174.41 1s04 h ILE 83 N 0.54 1.24 -0.64 2.60 2.04 -1.24 -1.82 117.51 120.22 1s04 h ILE 83 Ca 0.40 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 1s04 h ILE 83 Cb 0.54 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1s04 h ILE 83 CO -0.35 0.32 0.30 1.56 0.00 0.00 0.00 178.15 179.98 1s04 h GLN 84 N 0.87 0.92 -0.05 2.37 1.08 -0.55 -1.10 115.11 118.65 1s04 h GLN 84 Ca 0.19 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1s04 h GLN 84 Cb 0.31 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1s04 h GLN 84 CO -0.00 0.72 0.01 0.28 -0.95 0.00 0.00 178.83 178.89 1s04 h VAL 85 N 0.91 1.22 0.00 -0.54 2.07 -0.39 -2.25 116.25 117.27 1s04 h VAL 85 Ca 0.22 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 1s04 h VAL 85 Cb 0.11 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1s04 h VAL 85 CO -0.03 0.18 -0.01 1.88 0.02 0.00 0.00 177.57 179.61 1s04 h TYR 86 N -0.17 0.00 -0.05 1.57 0.05 -0.98 0.10 116.97 117.50 1s04 h TYR 86 Ca 0.01 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.75 1s04 h TYR 86 Cb 0.28 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.02 1s04 h TYR 86 CO 0.02 0.01 -0.16 0.00 -1.05 0.00 0.00 178.16 176.98 1s04 h ARG 87 N 0.00 0.19 0.00 4.88 3.08 -0.64 1.47 114.38 123.35 1s04 h ARG 87 Ca -0.00 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1s04 h ARG 87 Cb 0.05 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1s04 h ARG 87 CO 0.00 0.77 -0.07 0.07 -1.07 0.00 0.00 179.97 179.67 1s04 h ARG 88 N -0.35 0.00 0.00 0.04 -0.00 -0.90 -3.33 114.38 109.84 1s04 h ARG 88 Ca -0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 59.86 1s04 h ARG 88 Cb 0.79 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.74 1s04 h ARG 88 CO 0.03 0.07 -0.96 1.19 -0.00 0.00 0.00 179.97 180.30 1s04 n PHE 89 N -3.15 0.84 -4.41 4.08 3.72 0.29 -4.97 117.46 113.85 1s04 n PHE 89 Ca 0.02 0.36 -0.30 0.00 -0.05 0.00 0.00 57.45 57.48 1s04 n PHE 89 Cb 0.45 -0.89 -0.11 0.00 -0.94 0.00 0.00 39.48 37.98 1s04 n PHE 89 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1s04 s TYR 90 N -2.35 2.61 0.44 1.38 2.02 0.50 -5.05 117.35 116.89 1s04 s TYR 90 Ca -0.23 -0.22 -0.24 0.00 -0.37 0.00 0.00 57.07 56.01 1s04 s TYR 90 Cb 0.04 -1.42 -0.08 0.00 -0.40 0.00 0.00 41.96 40.11 1s04 s TYR 90 CO 0.39 0.35 1.24 -0.51 -1.57 0.00 0.00 175.55 175.45 1s04 s ASP 91 N -1.88 6.17 0.18 2.29 1.01 -1.26 -3.80 116.67 119.38 1s04 s ASP 91 Ca 0.18 2.50 0.03 0.00 0.71 0.00 0.00 52.55 55.97 1s04 s ASP 91 Cb -0.11 -2.62 0.06 0.00 1.01 0.00 0.00 42.92 41.26 1s04 s ASP 91 CO 0.09 -0.93 1.42 -0.08 0.21 0.00 0.00 175.17 175.88 1s04 h GLU 92 N 2.32 0.20 0.10 8.23 4.81 -1.87 -1.73 114.58 126.64 1s04 h GLU 92 Ca -0.49 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 58.53 1s04 h GLU 92 Cb 1.25 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1s04 h GLU 92 CO 0.61 0.90 -0.05 1.49 -0.73 0.00 0.00 179.01 181.23 1s04 h GLU 93 N 0.12 -0.13 -0.51 1.92 4.22 -1.98 0.14 114.58 118.36 1s04 h GLU 93 Ca -0.03 0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.38 1s04 h GLU 93 Cb 1.40 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 1s04 h GLU 93 CO 0.12 0.22 0.18 0.87 -2.18 0.00 0.00 179.01 178.22 1s04 h LYS 94 N -0.50 0.75 0.24 1.92 1.79 -1.96 0.15 116.57 118.95 1s04 h LYS 94 Ca -0.01 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 1s04 h LYS 94 Cb 0.41 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1s04 h LYS 94 CO 0.02 0.64 -0.11 1.49 -1.08 0.00 0.00 179.45 180.41 1s04 h GLU 95 N 0.74 -0.31 0.00 3.15 4.22 -1.18 -2.12 114.58 119.08 1s04 h GLU 95 Ca 0.17 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.64 1s04 h GLU 95 Cb 0.19 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1s04 h GLU 95 CO -0.01 -0.03 0.00 0.87 -2.18 0.00 0.00 179.01 177.65 1s04 h LYS 96 N -0.56 0.00 0.57 1.92 1.79 -0.46 1.58 116.57 121.41 1s04 h LYS 96 Ca -0.03 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 1s04 h LYS 96 Cb 0.41 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1s04 h LYS 96 CO 0.05 0.00 -0.28 0.87 -1.08 0.00 0.00 179.45 179.02 1s04 h LYS 97 N 0.00 -0.74 0.00 3.15 1.57 -0.15 -3.41 116.57 116.98 1s04 h LYS 97 Ca 0.00 0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 58.60 1s04 h LYS 97 Cb 0.24 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 1s04 h LYS 97 CO 0.00 -0.47 -1.74 0.66 -0.57 0.00 0.00 179.45 177.33 1s04 n TYR 98 N -5.29 0.00 0.00 -1.35 4.01 -0.85 -5.09 117.16 108.59 1s04 n TYR 98 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1s04 n TYR 98 Cb 0.32 -0.73 0.00 0.00 -0.31 0.00 0.00 39.34 38.61 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 1.39 0.40 3.94 2.72 0.00 0.54 -4.94 105.19 109.24 1s04 n GLY 99 Ca -0.33 -2.29 -0.26 0.00 0.00 0.00 0.00 46.02 43.14 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 -0.07 5.29 -0.21 1.61 1.01 -1.24 -3.31 120.40 123.49 1s04 s VAL 100 Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 1s04 s VAL 100 Cb 0.00 -3.75 0.07 0.00 0.00 0.00 0.00 36.38 32.70 1s04 s VAL 100 CO 0.00 -0.12 0.08 0.68 0.00 0.00 0.00 175.10 175.73 1s04 s VAL 101 N -1.79 0.18 -0.78 2.92 -7.23 -1.02 0.67 120.40 113.35 1s04 s VAL 101 Ca 0.35 -0.48 -0.25 0.00 -1.81 0.00 0.00 61.98 59.79 1s04 s VAL 101 Cb -0.11 -0.87 0.04 0.00 0.56 0.00 0.00 36.38 36.01 1s04 s VAL 101 CO 0.29 -0.36 1.26 0.00 -0.31 0.00 0.00 175.10 175.97 1s04 s ALA 102 N 2.00 2.81 -0.12 1.32 0.00 -0.91 -2.37 121.76 124.50 1s04 s ALA 102 Ca 0.03 -1.62 -0.12 0.00 0.00 0.00 0.00 51.96 50.25 1s04 s ALA 102 Cb -0.16 -4.24 -0.05 0.00 0.00 0.00 0.00 23.12 18.67 1s04 s ALA 102 CO -0.15 -3.26 0.26 0.96 0.00 0.00 0.00 175.76 173.57 1s04 s ILE 103 N 5.29 5.31 -0.25 0.00 -4.36 -0.92 -3.41 121.20 122.86 1s04 s ILE 103 Ca 0.35 0.48 -0.20 0.00 -0.26 0.00 0.00 60.65 61.03 1s04 s ILE 103 Cb -0.08 -3.57 -0.02 0.00 1.25 0.00 0.00 42.46 40.04 1s04 s ILE 103 CO 0.10 0.49 0.59 -0.70 0.24 0.00 0.00 174.94 175.66 1s04 s GLU 104 N -0.24 4.10 0.27 0.37 2.12 -0.75 -3.00 118.70 121.57 1s04 s GLU 104 Ca 0.17 0.48 0.07 0.00 0.36 0.00 0.00 54.97 56.05 1s04 s GLU 104 Cb -0.13 -3.64 -0.06 0.00 0.26 0.00 0.00 34.13 30.56 1s04 s GLU 104 CO 0.05 -0.38 -0.09 0.96 -0.54 0.00 0.00 175.26 175.27 1s04 s ILE 105 N 2.39 1.76 -0.23 -3.70 -0.00 -1.26 0.78 121.20 120.95 1s04 s ILE 105 Ca 0.25 -2.16 -0.03 0.00 -0.00 0.00 0.00 60.65 58.70 1s04 s ILE 105 Cb -0.16 -2.39 0.10 0.00 -0.00 0.00 0.00 42.46 40.02 1s04 s ILE 105 CO 0.09 -0.35 0.24 -1.83 -0.00 0.00 0.00 174.94 173.08 1s04 s GLU 106 N -3.69 0.22 -0.50 0.37 -1.05 -0.81 -4.66 118.70 108.58 1s04 s GLU 106 Ca 0.29 0.11 -0.28 0.00 -0.15 0.00 0.00 54.97 54.93 1s04 s GLU 106 Cb 0.02 -1.08 0.01 0.00 -0.44 0.00 0.00 34.13 32.64 1s04 s GLU 106 CO 0.12 -0.75 1.46 -1.25 0.95 0.00 0.00 175.26 175.79 1s04 s PRO 107 N 2.33 3.36 -1.17 -4.83 0.04 -1.26 -2.48 135.00 130.98 1s04 s PRO 107 Ca 0.08 0.69 -0.21 0.00 0.04 0.00 0.00 61.00 61.60 1s04 s PRO 107 Cb -0.15 -4.11 0.03 0.00 0.04 0.00 0.00 34.50 30.30 1s04 s PRO 107 CO -0.17 -1.85 1.72 -0.51 0.04 0.00 0.00 177.00 176.23 1s04 s LEU 108 N 6.06 3.55 0.00 -3.56 1.02 -1.07 -4.44 118.68 120.24 1s04 s LEU 108 Ca 0.58 -1.89 0.00 0.00 0.02 0.00 0.00 54.13 52.84 1s04 s LEU 108 Cb -0.12 -2.58 -0.00 0.00 0.02 0.00 0.00 46.19 43.51 1s04 s LEU 108 CO 0.28 -1.75 0.14 1.21 0.02 0.00 0.00 176.35 176.25 1s04 n GLU 109 N 8.54 4.87 -0.48 1.70 0.00 -1.26 -4.79 120.64 129.22 1s04 n GLU 109 Ca 0.43 -0.13 0.00 0.00 0.00 0.00 0.00 57.16 57.46 1s04 n GLU 109 Cb 0.47 -0.64 0.00 0.00 0.00 0.00 0.00 31.44 31.27 1s04 n GLU 109 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11