#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 0.09 -0.04 0.03 2.12 -1.26 -4.48 118.70 115.16 1s04 s GLU 2 Ca 0.00 -0.13 0.02 0.00 0.36 0.00 0.00 54.97 55.22 1s04 s GLU 2 Cb 0.00 -0.02 -0.03 0.00 0.26 0.00 0.00 34.13 34.34 1s04 s GLU 2 CO 0.00 0.00 -0.09 -1.58 -0.54 0.00 0.00 175.26 173.05 1s04 s TRP 3 N -0.28 2.86 -0.02 5.30 0.23 -0.55 -5.03 118.94 121.47 1s04 s TRP 3 Ca -0.03 -0.04 0.03 0.00 -2.03 0.00 0.00 56.10 54.04 1s04 s TRP 3 Cb -0.02 -1.66 -0.01 0.00 0.03 0.00 0.00 33.47 31.82 1s04 s TRP 3 CO -0.00 0.31 -0.11 -1.83 0.96 0.00 0.00 176.95 176.28 1s04 s GLU 4 N -0.99 1.01 0.19 4.98 -1.05 -1.26 0.86 118.70 122.43 1s04 s GLU 4 Ca 0.14 -0.40 -0.02 0.00 -0.15 0.00 0.00 54.97 54.53 1s04 s GLU 4 Cb -0.11 -0.95 0.01 0.00 -0.44 0.00 0.00 34.13 32.64 1s04 s GLU 4 CO 0.03 0.21 0.29 -1.33 0.95 0.00 0.00 175.26 175.42 1s04 n MET 5 N 2.95 0.42 -3.67 -4.83 2.81 0.14 -4.93 117.12 110.01 1s04 n MET 5 Ca -0.15 -1.40 -0.15 0.00 -1.81 0.00 0.00 57.70 54.19 1s04 n MET 5 Cb 0.55 1.43 -0.08 0.00 -0.71 0.00 0.00 33.22 34.41 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 -2.13 -0.35 -0.02 3.03 0.00 -1.26 0.95 107.32 107.53 1s04 s GLY 6 Ca 0.14 0.94 -0.29 0.00 0.00 0.00 0.00 44.72 45.51 1s04 s GLY 6 CO 0.10 0.68 0.89 0.48 0.00 0.00 0.00 173.10 175.25 1s04 s LEU 7 N -0.87 -0.38 0.42 0.66 2.34 -1.26 -4.90 118.68 114.69 1s04 s LEU 7 Ca -0.09 0.07 -0.24 0.00 0.06 0.00 0.00 54.13 53.93 1s04 s LEU 7 Cb -0.03 2.02 -0.11 0.00 -0.56 0.00 0.00 46.19 47.51 1s04 s LEU 7 CO 0.05 -0.59 0.86 0.00 -1.06 0.00 0.00 176.35 175.61 1s04 n GLN 8 N -0.10 1.06 -0.30 1.48 3.00 -1.26 -4.69 117.38 116.58 1s04 n GLN 8 Ca -0.09 0.38 0.06 0.00 -0.01 0.00 0.00 57.00 57.34 1s04 n GLN 8 Cb 0.61 -1.85 0.20 0.00 0.00 0.00 0.00 30.24 29.20 1s04 n GLN 8 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1s04 h GLU 9 N 1.28 0.68 -0.69 -1.09 4.81 -2.01 0.20 114.58 117.75 1s04 h GLU 9 Ca -0.43 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 58.81 1s04 h GLU 9 Cb 1.36 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 1s04 h GLU 9 CO 0.55 0.45 0.46 1.49 -0.73 0.00 0.00 179.01 181.23 1s04 h GLU 10 N 0.70 0.75 0.00 1.92 4.81 -2.01 0.12 114.58 120.87 1s04 h GLU 10 Ca 0.44 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.52 1s04 h GLU 10 Cb 0.54 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1s04 h GLU 10 CO -0.31 0.50 -0.50 0.35 -0.73 0.00 0.00 179.01 178.31 1s04 h PHE 11 N 0.77 0.00 -0.02 0.92 3.04 -1.00 -3.13 116.94 117.51 1s04 h PHE 11 Ca 0.29 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.23 1s04 h PHE 11 Cb 0.16 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.67 1s04 h PHE 11 CO -0.00 0.50 0.00 -0.07 -2.02 0.00 0.00 178.31 176.72 1s04 h LEU 12 N 0.00 0.04 -1.58 0.59 3.38 0.48 -2.68 115.31 115.53 1s04 h LEU 12 Ca -0.01 -0.30 0.14 0.00 0.09 0.00 0.00 57.88 57.81 1s04 h LEU 12 Cb 1.10 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 1s04 h LEU 12 CO 0.07 0.33 0.49 -0.08 0.09 0.00 0.00 178.44 179.33 1s04 h GLU 13 N -0.25 0.41 -0.58 1.13 4.57 -1.38 0.46 114.58 118.94 1s04 h GLU 13 Ca 0.01 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.22 1s04 h GLU 13 Cb 0.30 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.75 1s04 h GLU 13 CO 0.00 0.27 0.29 -0.07 -1.18 0.00 0.00 179.01 178.32 1s04 h LEU 14 N 0.42 0.40 -1.25 1.64 3.38 -1.43 0.44 115.31 118.92 1s04 h LEU 14 Ca 0.36 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.43 1s04 h LEU 14 Cb 0.79 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 1s04 h LEU 14 CO -0.11 0.26 0.54 0.40 0.09 0.00 0.00 178.44 179.62 1s04 h ILE 15 N 0.54 1.04 0.00 1.22 5.03 -0.81 0.36 117.51 124.89 1s04 h ILE 15 Ca 0.27 -0.31 -0.05 0.00 -0.12 0.00 0.00 64.86 64.64 1s04 h ILE 15 Cb 0.20 0.06 -0.01 0.00 -3.03 0.00 0.00 36.82 34.04 1s04 h ILE 15 CO -0.19 0.16 -0.25 0.11 -0.68 0.00 0.00 178.15 177.30 1s04 h LYS 16 N 0.90 0.00 0.00 2.37 1.57 -0.75 -0.79 116.57 119.87 1s04 h LYS 16 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1s04 h LYS 16 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1s04 h LYS 16 CO -0.13 0.25 -0.42 -0.07 -0.57 0.00 0.00 179.45 178.51 1s04 h LEU 17 N 0.00 0.00 -0.43 2.94 3.38 0.63 -3.14 115.31 118.69 1s04 h LEU 17 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1s04 h LEU 17 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1s04 h LEU 17 CO 0.03 0.02 0.00 0.54 0.09 0.00 0.00 178.44 179.12 1s04 n ARG 18 N -2.70 1.30 0.01 1.13 1.74 0.69 -3.35 116.66 115.47 1s04 n ARG 18 Ca 0.03 -0.43 0.09 0.00 -0.77 0.00 0.00 57.85 56.77 1s04 n ARG 18 Cb 0.51 -1.45 0.40 0.00 -1.02 0.00 0.00 32.46 30.90 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 -0.44 0.02 0.00 5.56 0.00 -1.06 -2.35 118.16 119.88 1s04 n LYS 19 Ca 0.20 0.20 0.00 0.00 0.00 0.00 0.00 58.31 58.71 1s04 n LYS 19 Cb 0.21 -1.54 0.00 0.00 0.00 0.00 0.00 35.03 33.70 1s04 n LYS 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1s04 n LYS 20 N -1.57 0.83 0.00 1.64 4.81 -1.21 -4.98 118.16 117.68 1s04 n LYS 20 Ca 0.04 -0.75 0.00 0.00 -0.87 0.00 0.00 58.31 56.73 1s04 n LYS 20 Cb 0.22 -0.75 0.00 0.00 0.02 0.00 0.00 35.03 34.53 1s04 n LYS 20 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1s04 n LYS 21 N -0.17 0.00 -3.79 1.64 5.02 -0.99 -5.07 118.16 114.80 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 0.29 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.30 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 2.41 0.00 -0.14 -0.18 -1.09 0.51 -4.96 121.20 117.76 1s04 s ILE 22 Ca 0.00 -0.65 -0.04 0.00 -2.23 0.00 0.00 60.65 57.73 1s04 s ILE 22 Cb 0.00 -2.27 0.06 0.00 -1.58 0.00 0.00 42.46 38.67 1s04 s ILE 22 CO 0.00 0.00 0.17 -0.70 -1.23 0.00 0.00 174.94 173.18 1s04 s GLU 23 N -2.92 0.09 0.77 2.79 -6.30 -1.24 -3.99 118.70 107.89 1s04 s GLU 23 Ca 0.15 0.31 -0.08 0.00 -2.50 0.00 0.00 54.97 52.86 1s04 s GLU 23 Cb -0.02 -0.89 0.10 0.00 0.00 0.00 0.00 34.13 33.32 1s04 s GLU 23 CO 0.03 -0.49 1.08 0.20 0.02 0.00 0.00 175.26 176.10 1s04 s GLY 24 N 2.27 1.72 0.00 -1.50 0.00 -1.26 -0.43 107.32 108.12 1s04 s GLY 24 Ca 0.04 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.65 1s04 s GLY 24 CO -0.08 -0.59 0.00 0.54 0.00 0.00 0.00 173.10 172.96 1s04 n ARG 25 N -3.10 0.00 -1.41 2.90 1.74 -1.23 -4.79 116.66 110.77 1s04 n ARG 25 Ca 0.11 0.00 -0.53 0.00 -0.77 0.00 0.00 57.85 56.66 1s04 n ARG 25 Cb 0.60 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.98 1s04 n ARG 25 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1s04 n LEU 26 N 0.00 -0.45 -4.71 0.55 7.94 -1.26 -3.93 117.00 115.14 1s04 n LEU 26 Ca 0.00 1.11 -0.43 0.00 -1.11 0.00 0.00 56.01 55.58 1s04 n LEU 26 Cb 0.00 -0.90 -0.03 0.00 0.53 0.00 0.00 43.42 43.02 1s04 n LEU 26 CO 0.00 -2.22 1.36 0.00 -1.11 0.00 0.00 177.39 175.41 1s04 n TYR 27 N 0.92 2.65 -4.34 1.96 9.36 -1.26 -4.87 117.16 121.59 1s04 n TYR 27 Ca 0.19 0.05 -0.16 0.00 3.32 0.00 0.00 57.90 61.30 1s04 n TYR 27 Cb 0.14 -2.66 -0.04 0.00 -0.63 0.00 0.00 39.34 36.15 1s04 n TYR 27 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1s04 n ASP 28 N 4.12 1.82 0.05 2.98 8.00 -1.26 -4.93 116.55 127.33 1s04 n ASP 28 Ca 0.16 -2.21 -0.13 0.00 0.71 0.00 0.00 54.79 53.33 1s04 n ASP 28 Cb 0.34 0.41 -0.09 0.00 -0.02 0.00 0.00 41.12 41.76 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 -0.12 -0.94 -1.24 4.39 -1.99 0.16 114.58 114.84 1s04 h GLU 29 Ca -0.20 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.52 1s04 h GLU 29 Cb 0.68 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.31 1s04 h GLU 29 CO 0.32 0.18 0.61 1.57 -1.16 0.00 0.00 179.01 180.53 1s04 h LYS 30 N -0.41 1.25 -0.42 2.33 2.10 -2.00 -2.07 116.57 117.34 1s04 h LYS 30 Ca -0.01 -0.08 -0.04 0.00 -2.00 0.00 0.00 60.65 58.52 1s04 h LYS 30 Cb 0.35 -0.28 -0.02 0.00 -0.90 0.00 0.00 32.23 31.38 1s04 h LYS 30 CO 0.02 0.84 0.11 -0.09 -2.00 0.00 0.00 179.45 178.33 1s04 h ARG 31 N 1.29 0.67 -0.99 0.07 9.65 -1.88 -2.03 114.38 121.15 1s04 h ARG 31 Ca 0.34 -0.16 0.21 0.00 -1.10 0.00 0.00 59.98 59.28 1s04 h ARG 31 Cb -0.13 -0.09 -0.10 0.00 -1.39 0.00 0.00 29.97 28.26 1s04 h ARG 31 CO -0.07 0.68 0.62 -0.09 2.80 0.00 0.00 179.97 183.90 1s04 h ARG 32 N 0.55 0.59 0.00 0.20 2.43 0.02 0.60 114.38 118.77 1s04 h ARG 32 Ca 0.13 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.13 1s04 h ARG 32 Cb 0.30 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1s04 h ARG 32 CO -0.00 0.39 -0.67 0.37 -1.51 0.00 0.00 179.97 178.55 1s04 h GLN 33 N 0.61 0.00 -6.28 0.20 4.15 -1.12 -3.43 115.11 109.23 1s04 h GLN 33 Ca 0.56 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 59.43 1s04 h GLN 33 Cb 1.08 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 1s04 h GLN 33 CO -0.32 0.67 0.97 0.42 -1.93 0.00 0.00 178.83 178.64 1s04 s ILE 34 N -3.31 3.73 0.21 2.39 1.01 0.21 -5.00 121.20 120.43 1s04 s ILE 34 Ca -0.00 0.98 0.06 0.00 0.00 0.00 0.00 60.65 61.69 1s04 s ILE 34 Cb 0.11 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 1s04 s ILE 34 CO 0.76 -0.06 -0.10 -1.59 0.00 0.00 0.00 174.94 173.96 1s04 s LYS 35 N 3.35 1.30 -1.11 2.79 0.00 -1.26 -4.93 119.74 119.87 1s04 s LYS 35 Ca 0.67 -1.60 -0.22 0.00 0.00 0.00 0.00 55.97 54.82 1s04 s LYS 35 Cb -0.31 -0.94 -0.00 0.00 0.00 0.00 0.00 37.83 36.58 1s04 s LYS 35 CO 0.26 0.10 1.77 -1.25 0.00 0.00 0.00 175.35 176.22 1s04 s PRO 36 N -3.71 3.18 0.00 1.78 0.04 -1.26 -4.00 135.00 131.03 1s04 s PRO 36 Ca 0.23 -1.18 0.00 0.00 0.04 0.00 0.00 61.00 60.09 1s04 s PRO 36 Cb 0.02 -5.31 0.00 0.00 0.04 0.00 0.00 34.50 29.24 1s04 s PRO 36 CO 0.06 -2.95 0.00 0.41 0.04 0.00 0.00 177.00 174.57 1s04 n GLY 37 N 6.20 0.00 0.00 0.56 0.00 -1.24 -4.87 105.19 105.83 1s04 n GLY 37 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1s04 n GLY 37 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s04 n ASP 38 N 0.00 0.00 -3.98 1.61 2.03 -1.26 -5.04 116.55 109.91 1s04 n ASP 38 Ca 0.00 -0.64 -0.11 0.00 0.52 0.00 0.00 54.79 54.56 1s04 n ASP 38 Cb 0.00 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.28 1s04 n ASP 38 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1s04 s VAL 39 N -2.76 0.19 -0.22 5.18 1.01 -1.26 -3.30 120.40 119.24 1s04 s VAL 39 Ca 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1s04 s VAL 39 Cb 0.00 -0.30 0.05 0.00 0.00 0.00 0.00 36.38 36.13 1s04 s VAL 39 CO 0.00 -0.38 -0.12 -0.63 0.00 0.00 0.00 175.10 173.97 1s04 s ILE 40 N -1.17 1.89 -0.14 2.22 1.01 0.50 -1.48 121.20 124.04 1s04 s ILE 40 Ca -0.12 -1.22 -0.20 0.00 0.00 0.00 0.00 60.65 59.12 1s04 s ILE 40 Cb -0.08 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 1s04 s ILE 40 CO -0.01 0.16 0.57 -0.44 0.00 0.00 0.00 174.94 175.23 1s04 s SER 41 N 1.28 6.74 -0.06 3.58 0.01 0.25 -1.67 113.70 123.83 1s04 s SER 41 Ca -0.03 0.89 -0.01 0.00 1.31 0.00 0.00 55.95 58.11 1s04 s SER 41 Cb -0.17 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 1s04 s SER 41 CO -0.08 -0.12 0.03 -0.36 0.41 0.00 0.00 173.24 173.12 1s04 s PHE 42 N 1.12 3.21 -1.71 2.43 0.08 -0.15 0.24 117.98 123.20 1s04 s PHE 42 Ca 0.29 0.21 -0.18 0.00 0.12 0.00 0.00 56.93 57.37 1s04 s PHE 42 Cb -0.16 -1.77 0.16 0.00 -0.57 0.00 0.00 43.02 40.68 1s04 s PHE 42 CO 0.12 0.51 0.76 0.39 -0.10 0.00 0.00 175.22 176.90 1s04 n GLU 43 N 1.80 -2.97 0.00 0.44 -0.58 0.27 -0.34 120.64 119.26 1s04 n GLU 43 Ca -0.17 0.35 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 1s04 n GLU 43 Cb 0.53 -5.05 0.00 0.00 -0.57 0.00 0.00 31.44 26.36 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 -1.40 2.21 0.69 0.62 0.00 -1.26 -3.85 105.19 102.20 1s04 n GLY 44 Ca 0.07 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 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 0.19 -0.02 0.00 -0.52 -4.83 105.19 99.97 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 0.67 -3.49 1.61 3.11 -0.79 -3.43 116.57 114.24 1s04 h LYS 46 Ca -0.24 -0.73 -0.48 0.00 -2.81 0.00 0.00 60.65 56.38 1s04 h LYS 46 Cb 0.87 0.21 -0.40 0.00 -1.00 0.00 0.00 32.23 31.92 1s04 h LYS 46 CO -0.12 1.31 -0.76 -1.17 -2.81 0.00 0.00 179.45 175.90 1s04 s LEU 47 N -8.12 0.87 -0.16 5.20 1.98 -1.19 -4.99 118.68 112.27 1s04 s LEU 47 Ca -0.10 -0.59 -0.07 0.00 -2.89 0.00 0.00 54.13 50.48 1s04 s LEU 47 Cb 0.06 -0.49 -0.04 0.00 0.66 0.00 0.00 46.19 46.39 1s04 s LEU 47 CO 0.91 -0.29 0.08 -0.54 -1.89 0.00 0.00 176.35 174.63 1s04 s LYS 48 N 1.94 3.75 0.06 1.98 -0.14 -1.26 -0.98 119.74 125.09 1s04 s LYS 48 Ca 0.01 -0.29 0.01 0.00 -1.36 0.00 0.00 55.97 54.35 1s04 s LYS 48 Cb -0.16 -3.18 -0.03 0.00 -1.68 0.00 0.00 37.83 32.78 1s04 s LYS 48 CO -0.07 0.45 -0.06 0.14 -0.76 0.00 0.00 175.35 175.04 1s04 s VAL 49 N -0.11 0.49 -0.10 3.17 -7.23 -0.67 -2.89 120.40 113.05 1s04 s VAL 49 Ca 0.08 -1.37 -0.01 0.00 -1.81 0.00 0.00 61.98 58.87 1s04 s VAL 49 Cb -0.12 -0.95 0.03 0.00 0.56 0.00 0.00 36.38 35.89 1s04 s VAL 49 CO 0.01 -0.60 -0.05 -0.60 -0.31 0.00 0.00 175.10 173.54 1s04 s ARG 50 N -2.43 1.28 0.26 4.82 3.52 -0.94 0.19 118.95 125.65 1s04 s ARG 50 Ca -0.03 -0.17 -0.30 0.00 -0.13 0.00 0.00 55.73 55.11 1s04 s ARG 50 Cb -0.04 -1.44 -0.14 0.00 -1.56 0.00 0.00 34.95 31.77 1s04 s ARG 50 CO -0.02 -0.28 1.12 0.28 -0.81 0.00 0.00 175.30 175.58 1s04 n VAL 51 N 5.00 1.61 -0.07 7.11 0.31 -1.21 -3.49 118.33 127.58 1s04 n VAL 51 Ca -0.11 -0.40 -0.12 0.00 -0.01 0.00 0.00 64.34 63.70 1s04 n VAL 51 Cb 0.50 -1.06 -0.06 0.00 -0.91 0.00 0.00 33.84 32.30 1s04 n VAL 51 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1s04 n LYS 52 N 1.11 0.34 -3.56 5.55 4.81 -0.87 -3.70 118.16 121.85 1s04 n LYS 52 Ca 0.11 0.10 -0.07 0.00 -0.87 0.00 0.00 58.31 57.58 1s04 n LYS 52 Cb 0.30 -1.20 -0.03 0.00 0.02 0.00 0.00 35.03 34.12 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 -2.28 -1.95 0.03 3.14 0.00 -1.25 -4.77 121.76 114.68 1s04 s ALA 53 Ca -0.20 1.39 0.06 0.00 0.00 0.00 0.00 51.96 53.21 1s04 s ALA 53 Cb 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1s04 s ALA 53 CO 0.31 -0.55 -0.14 -1.50 0.00 0.00 0.00 175.76 173.87 1s04 s ILE 54 N -2.34 3.06 0.08 0.00 1.10 -1.26 -2.40 121.20 119.44 1s04 s ILE 54 Ca 0.05 -1.05 0.00 0.00 -0.51 0.00 0.00 60.65 59.15 1s04 s ILE 54 Cb -0.01 -2.31 -0.04 0.00 0.15 0.00 0.00 42.46 40.25 1s04 s ILE 54 CO -0.05 0.36 -0.04 -0.13 -2.11 0.00 0.00 174.94 172.97 1s04 s ARG 55 N -1.43 0.76 0.00 3.50 0.52 -1.18 -5.02 118.95 116.10 1s04 s ARG 55 Ca 0.15 -1.31 0.02 0.00 -0.52 0.00 0.00 55.73 54.08 1s04 s ARG 55 Cb -0.11 0.01 -0.01 0.00 0.52 0.00 0.00 34.95 35.37 1s04 s ARG 55 CO 0.06 -0.09 -0.06 0.08 0.02 0.00 0.00 175.30 175.31 1s04 s VAL 56 N -3.79 0.48 0.26 3.52 1.01 -1.26 -2.25 120.40 118.37 1s04 s VAL 56 Ca 0.11 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1s04 s VAL 56 Cb 0.07 -0.42 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 1s04 s VAL 56 CO -0.06 0.09 0.12 -1.22 0.00 0.00 0.00 175.10 174.03 1s04 n TYR 57 N 2.79 -0.07 -0.01 5.22 4.02 0.12 -4.94 117.16 124.28 1s04 n TYR 57 Ca -0.14 -1.79 -0.16 0.00 -0.01 0.00 0.00 57.90 55.80 1s04 n TYR 57 Cb 0.58 0.05 -0.12 0.00 -0.02 0.00 0.00 39.34 39.83 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 1.17 0.34 -2.43 7.72 2.35 -1.94 -3.28 115.58 119.50 1s04 h ASN 58 Ca -0.20 -0.80 0.09 0.00 -0.55 0.00 0.00 56.30 54.84 1s04 h ASN 58 Cb 0.81 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 1s04 h ASN 58 CO 0.31 1.10 0.43 -0.24 -1.65 0.00 0.00 177.43 177.38 1s04 n SER 59 N -4.38 -1.67 -0.29 5.81 2.88 -1.26 -4.39 113.62 110.32 1s04 n SER 59 Ca -0.10 -1.98 -0.01 0.00 -1.33 0.00 0.00 58.87 55.44 1s04 n SER 59 Cb 0.59 2.75 0.17 0.00 -0.75 0.00 0.00 64.21 66.97 1s04 n SER 59 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1s04 h PHE 60 N 1.86 1.10 0.00 0.66 0.04 -1.94 -0.64 116.94 118.02 1s04 h PHE 60 Ca -0.26 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.55 1s04 h PHE 60 Cb 1.06 -0.37 -0.04 0.00 2.20 0.00 0.00 35.95 38.80 1s04 h PHE 60 CO 0.00 0.72 -0.19 -0.09 -0.60 0.00 0.00 178.31 178.15 1s04 h ARG 61 N 1.16 -0.29 0.00 1.51 9.65 -1.96 1.06 114.38 125.51 1s04 h ARG 61 Ca 0.31 0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 59.15 1s04 h ARG 61 Cb -0.07 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1s04 h ARG 61 CO -0.06 -0.20 -0.25 0.93 2.80 0.00 0.00 179.97 183.19 1s04 h GLU 62 N -0.31 0.00 -0.01 0.20 5.08 -1.88 0.73 114.58 118.40 1s04 h GLU 62 Ca 0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 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 0.25 -0.02 0.52 -1.00 0.00 0.00 179.01 178.58 1s04 h MET 63 N 0.00 0.03 -0.06 2.33 2.86 0.25 0.64 114.93 120.98 1s04 h MET 63 Ca -0.00 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.47 1s04 h MET 63 Cb 0.47 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1s04 h MET 63 CO 0.03 0.67 -0.60 -0.07 1.06 0.00 0.00 176.91 177.99 1s04 h LEU 64 N -0.60 0.22 -0.02 1.22 3.38 0.13 1.56 115.31 121.20 1s04 h LEU 64 Ca -0.00 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.68 1s04 h LEU 64 Cb 0.67 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.37 1s04 h LEU 64 CO 0.01 0.77 -0.63 -0.33 0.09 0.00 0.00 178.44 178.35 1s04 h GLU 65 N 0.14 0.46 0.00 1.13 5.08 0.44 0.32 114.58 122.15 1s04 h GLU 65 Ca -0.01 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1s04 h GLU 65 Cb 1.10 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1s04 h GLU 65 CO 0.09 1.12 -0.08 -0.22 -1.00 0.00 0.00 179.01 178.91 1s04 h LYS 66 N -0.02 0.00 0.25 2.33 3.64 0.34 -3.40 116.57 119.71 1s04 h LYS 66 Ca -0.07 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1s04 h LYS 66 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1s04 h LYS 66 CO 0.12 0.00 -0.12 1.49 -2.27 0.00 0.00 179.45 178.68 1s04 h GLU 67 N -0.55 -0.32 0.00 1.90 4.22 0.21 -3.49 114.58 116.55 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 0.08 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1s04 h GLU 67 CO 0.00 -0.16 0.00 0.41 -2.18 0.00 0.00 179.01 177.08 1s04 n GLY 68 N -1.04 4.10 0.52 1.92 0.00 -0.18 -4.78 105.19 105.73 1s04 n GLY 68 Ca -0.09 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.10 -0.44 0.99 5.85 -0.73 -1.49 115.31 118.39 1s04 h LEU 69 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1s04 h LEU 69 Cb 0.00 0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1s04 h LEU 69 CO 0.00 -0.77 0.00 -0.62 -0.34 0.00 0.00 178.44 176.71 1s04 n GLU 70 N -5.62 0.09 -0.15 1.25 1.02 -1.26 0.83 120.64 116.80 1s04 n GLU 70 Ca -0.16 0.40 0.10 0.00 -0.02 0.00 0.00 57.16 57.47 1s04 n GLU 70 Cb 0.51 -1.70 0.28 0.00 -0.02 0.00 0.00 31.44 30.52 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 -1.87 2.34 0.03 1.62 5.03 -0.79 -4.22 115.26 117.40 1s04 n ASN 71 Ca 0.02 -1.87 0.00 0.00 0.87 0.00 0.00 54.58 53.60 1s04 n ASN 71 Cb 0.15 -0.20 0.00 0.00 -1.02 0.00 0.00 39.78 38.71 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 0.77 0.09 -3.91 2.41 0.31 0.05 0.19 118.33 118.24 1s04 n VAL 72 Ca 0.17 0.03 -0.32 0.00 -0.01 0.00 0.00 64.34 64.20 1s04 n VAL 72 Cb 0.41 -0.81 -0.13 0.00 -0.91 0.00 0.00 33.84 32.40 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 -5.72 4.80 -0.29 7.52 2.96 0.24 -4.57 118.68 123.62 1s04 s LEU 73 Ca 0.00 -2.50 -0.29 0.00 -0.22 0.00 0.00 54.13 51.12 1s04 s LEU 73 Cb 0.00 -1.70 -0.00 0.00 0.50 0.00 0.00 46.19 44.98 1s04 s LEU 73 CO 0.00 -0.36 1.34 -2.16 -1.32 0.00 0.00 176.35 173.85 1s04 s PRO 74 N 0.45 3.90 0.00 0.98 0.04 -1.26 -2.67 135.00 136.43 1s04 s PRO 74 Ca 0.13 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1s04 s PRO 74 Cb -0.22 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1s04 s PRO 74 CO -0.04 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.26 1s04 n GLY 75 N 4.37 1.32 3.18 0.56 0.00 -1.26 -5.09 105.19 108.27 1s04 n GLY 75 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.07 0.25 0.05 1.61 3.14 -1.09 -4.87 118.33 117.34 1s04 n VAL 76 Ca 0.00 -0.49 -0.16 0.00 -2.96 0.00 0.00 64.34 60.74 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 0.12 0.20 -2.26 1.45 1.57 -1.92 -3.49 116.57 112.25 1s04 h LYS 77 Ca -0.38 -0.35 0.17 0.00 -1.87 0.00 0.00 60.65 58.22 1s04 h LYS 77 Cb 1.41 0.13 -0.10 0.00 0.08 0.00 0.00 32.23 33.75 1s04 h LYS 77 CO 0.43 1.03 0.51 -1.12 -0.57 0.00 0.00 179.45 179.73 1s04 s SER 78 N -6.85 -0.21 0.22 0.86 0.01 -1.26 -4.98 113.70 101.49 1s04 s SER 78 Ca -0.09 -0.30 -0.08 0.00 1.31 0.00 0.00 55.95 56.79 1s04 s SER 78 Cb 0.07 0.44 0.30 0.00 0.21 0.00 0.00 66.02 67.04 1s04 s SER 78 CO 0.84 -0.80 1.79 0.40 0.41 0.00 0.00 173.24 175.88 1s04 h ILE 79 N 2.00 0.88 -0.63 1.44 2.04 -1.99 0.29 117.51 121.55 1s04 h ILE 79 Ca -0.24 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 1s04 h ILE 79 Cb 1.23 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1s04 h ILE 79 CO 0.27 0.11 0.32 -0.33 0.00 0.00 0.00 178.15 178.52 1s04 h GLU 80 N 0.62 0.89 -0.68 2.37 4.39 -2.00 -1.78 114.58 118.40 1s04 h GLU 80 Ca 0.33 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.86 1s04 h GLU 80 Cb 0.31 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 1s04 h GLU 80 CO -0.24 0.70 0.20 0.93 -1.16 0.00 0.00 179.01 179.44 1s04 h GLU 81 N 0.86 1.04 -0.06 2.33 4.39 -1.55 -2.41 114.58 119.18 1s04 h GLU 81 Ca 0.22 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1s04 h GLU 81 Cb 0.08 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1s04 h GLU 81 CO -0.03 0.89 0.03 0.78 -1.16 0.00 0.00 179.01 179.52 1s04 h GLY 82 N 1.07 0.08 0.55 -3.84 0.00 0.05 -1.98 103.07 99.00 1s04 h GLY 82 Ca 0.22 -0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.62 1s04 h GLY 82 CO -0.01 0.02 0.51 -2.22 0.00 0.00 0.00 176.54 174.84 1s04 h ILE 83 N 0.07 0.94 -0.88 2.60 5.03 -1.14 0.65 117.51 124.78 1s04 h ILE 83 Ca 0.03 -0.29 0.07 0.00 -0.12 0.00 0.00 64.86 64.54 1s04 h ILE 83 Cb 0.00 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 33.74 1s04 h ILE 83 CO -0.02 0.16 0.58 1.56 -0.68 0.00 0.00 178.15 179.74 1s04 h GLN 84 N 0.86 0.96 -0.66 2.37 7.50 -0.91 0.59 115.11 125.81 1s04 h GLN 84 Ca 0.41 -0.06 -0.06 0.00 0.50 0.00 0.00 58.65 59.44 1s04 h GLN 84 Cb 0.34 -0.22 -0.03 0.00 0.05 0.00 0.00 27.48 27.63 1s04 h GLN 84 CO -0.24 0.64 0.19 0.28 -1.50 0.00 0.00 178.83 178.20 1s04 h VAL 85 N 0.99 1.25 0.00 -0.54 2.07 -0.18 0.96 116.25 120.81 1s04 h VAL 85 Ca 0.38 -0.89 -0.08 0.00 0.82 0.00 0.00 66.70 66.93 1s04 h VAL 85 Cb 0.21 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1s04 h VAL 85 CO -0.14 0.34 -0.39 1.88 0.02 0.00 0.00 177.57 179.28 1s04 h TYR 86 N 0.97 0.00 -0.03 1.57 0.05 -0.31 -2.33 116.97 116.89 1s04 h TYR 86 Ca 0.21 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.83 1s04 h TYR 86 Cb 0.32 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.07 1s04 h TYR 86 CO 0.02 0.39 -0.60 -0.09 -1.05 0.00 0.00 178.16 176.84 1s04 h ARG 87 N 0.00 0.46 -0.47 4.88 9.65 0.72 1.17 114.38 130.79 1s04 h ARG 87 Ca -0.00 -0.45 -0.09 0.00 -1.10 0.00 0.00 59.98 58.33 1s04 h ARG 87 Cb 1.05 0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.73 1s04 h ARG 87 CO 0.05 1.10 -0.09 0.00 2.80 0.00 0.00 179.97 183.84 1s04 h ARG 88 N -0.01 0.84 0.00 0.20 3.08 -0.82 -3.30 114.38 114.37 1s04 h ARG 88 Ca -0.07 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 59.67 1s04 h ARG 88 Cb 1.28 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 1s04 h ARG 88 CO 0.12 0.89 -0.33 0.74 -1.07 0.00 0.00 179.97 180.32 1s04 h PHE 89 N 0.76 0.00 -2.96 3.04 -1.00 -1.45 -3.46 116.94 111.87 1s04 h PHE 89 Ca 0.13 0.00 -0.63 0.00 2.81 0.00 0.00 57.97 60.28 1s04 h PHE 89 Cb 0.58 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 40.06 1s04 h PHE 89 CO 0.03 0.57 -0.39 0.71 -1.61 0.00 0.00 178.31 177.62 1s04 s TYR 90 N -2.03 3.57 0.64 -0.55 2.02 0.40 -5.07 117.35 116.33 1s04 s TYR 90 Ca -0.14 0.61 -0.16 0.00 -0.37 0.00 0.00 57.07 57.01 1s04 s TYR 90 Cb 0.01 -2.13 -0.01 0.00 -0.40 0.00 0.00 41.96 39.42 1s04 s TYR 90 CO 0.36 0.54 1.14 -0.51 -1.57 0.00 0.00 175.55 175.50 1s04 s ASP 91 N -0.49 5.07 0.14 2.29 1.01 -1.26 -3.85 116.67 119.58 1s04 s ASP 91 Ca 0.16 2.12 -0.04 0.00 0.71 0.00 0.00 52.55 55.50 1s04 s ASP 91 Cb -0.13 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.17 1s04 s ASP 91 CO 0.05 -1.66 1.34 -0.08 0.21 0.00 0.00 175.17 175.03 1s04 h GLU 92 N 0.26 0.43 0.45 8.23 4.22 -1.91 -2.47 114.58 123.79 1s04 h GLU 92 Ca -0.48 -0.43 -0.02 0.00 0.08 0.00 0.00 59.36 58.51 1s04 h GLU 92 Cb 1.26 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1s04 h GLU 92 CO 0.54 1.08 -0.22 1.49 -2.18 0.00 0.00 179.01 179.72 1s04 h GLU 93 N 0.26 -0.58 -0.58 1.92 4.22 -1.97 0.28 114.58 118.12 1s04 h GLU 93 Ca -0.07 0.04 0.07 0.00 0.08 0.00 0.00 59.36 59.48 1s04 h GLU 93 Cb 1.50 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.82 1s04 h GLU 93 CO 0.15 -0.32 0.27 0.87 -2.18 0.00 0.00 179.01 177.80 1s04 h LYS 94 N -0.74 0.48 0.08 1.92 1.79 -1.97 0.64 116.57 118.78 1s04 h LYS 94 Ca -0.06 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1s04 h LYS 94 Cb 0.53 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 1s04 h LYS 94 CO 0.10 0.32 -0.08 1.49 -1.08 0.00 0.00 179.45 180.19 1s04 h GLU 95 N 0.49 -0.18 0.00 3.15 4.22 -1.27 -0.39 114.58 120.60 1s04 h GLU 95 Ca 0.28 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.73 1s04 h GLU 95 Cb 0.26 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1s04 h GLU 95 CO -0.23 -0.12 -0.01 0.87 -2.18 0.00 0.00 179.01 177.34 1s04 h LYS 96 N -0.19 0.00 0.66 1.92 1.57 0.27 1.60 116.57 122.41 1s04 h LYS 96 Ca 0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1s04 h LYS 96 Cb 0.18 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.50 1s04 h LYS 96 CO -0.03 0.01 -0.32 -0.22 -0.57 0.00 0.00 179.45 178.33 1s04 h LYS 97 N 0.00 -0.85 0.00 3.15 3.64 0.19 -3.41 116.57 119.28 1s04 h LYS 97 Ca -0.00 0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 59.24 1s04 h LYS 97 Cb 0.28 0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1s04 h LYS 97 CO 0.00 -0.57 -1.61 0.66 -2.27 0.00 0.00 179.45 175.66 1s04 n TYR 98 N -5.35 0.00 0.00 1.91 4.02 -0.66 -5.08 117.16 112.00 1s04 n TYR 98 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 1s04 n TYR 98 Cb 0.35 -0.67 0.00 0.00 -0.02 0.00 0.00 39.34 39.00 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 1.51 0.45 2.97 2.72 0.00 0.54 -5.03 105.19 108.35 1s04 n GLY 99 Ca -0.30 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.54 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 0.00 0.05 -0.20 1.61 1.01 -1.24 -4.42 120.40 117.22 1s04 s VAL 100 Ca 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 1s04 s VAL 100 Cb 0.00 -0.20 0.06 0.00 0.00 0.00 0.00 36.38 36.25 1s04 s VAL 100 CO 0.00 -0.25 0.07 0.68 0.00 0.00 0.00 175.10 175.60 1s04 s VAL 101 N -0.75 0.23 -0.72 2.92 -7.23 -1.25 0.13 120.40 113.72 1s04 s VAL 101 Ca -0.08 -0.44 -0.26 0.00 -1.81 0.00 0.00 61.98 59.39 1s04 s VAL 101 Cb -0.05 -0.86 0.00 0.00 0.56 0.00 0.00 36.38 36.04 1s04 s VAL 101 CO -0.00 -0.30 1.60 0.00 -0.31 0.00 0.00 175.10 176.09 1s04 s ALA 102 N 1.99 2.41 -0.51 1.32 0.00 -0.95 -3.49 121.76 122.53 1s04 s ALA 102 Ca 0.01 -1.14 -0.25 0.00 0.00 0.00 0.00 51.96 50.59 1s04 s ALA 102 Cb -0.17 -4.32 0.03 0.00 0.00 0.00 0.00 23.12 18.66 1s04 s ALA 102 CO -0.11 -3.70 0.95 0.42 0.00 0.00 0.00 175.76 173.32 1s04 s ILE 103 N 7.47 4.40 -0.29 0.00 1.09 0.43 -3.10 121.20 131.20 1s04 s ILE 103 Ca 0.52 0.56 -0.29 0.00 -1.10 0.00 0.00 60.65 60.35 1s04 s ILE 103 Cb -0.09 -4.50 -0.01 0.00 -1.06 0.00 0.00 42.46 36.80 1s04 s ILE 103 CO 0.14 -0.99 1.43 -0.70 -0.10 0.00 0.00 174.94 174.72 1s04 s GLU 104 N 3.93 3.82 0.09 2.79 2.12 -1.01 -3.61 118.70 126.82 1s04 s GLU 104 Ca 0.35 1.35 0.06 0.00 0.36 0.00 0.00 54.97 57.09 1s04 s GLU 104 Cb -0.11 -3.96 -0.04 0.00 0.26 0.00 0.00 34.13 30.29 1s04 s GLU 104 CO 0.23 -1.25 -0.09 0.96 -0.54 0.00 0.00 175.26 174.57 1s04 s ILE 105 N 4.84 3.42 -0.22 -3.70 -5.25 -1.26 -2.06 121.20 116.97 1s04 s ILE 105 Ca 0.62 -1.18 -0.04 0.00 -0.99 0.00 0.00 60.65 59.07 1s04 s ILE 105 Cb -0.19 -2.58 0.10 0.00 2.95 0.00 0.00 42.46 42.74 1s04 s ILE 105 CO 0.27 0.16 0.21 -1.83 -1.79 0.00 0.00 174.94 171.96 1s04 s GLU 106 N -2.07 0.20 -0.20 0.37 -1.05 -1.23 -4.27 118.70 110.44 1s04 s GLU 106 Ca 0.21 0.07 -0.29 0.00 -0.15 0.00 0.00 54.97 54.81 1s04 s GLU 106 Cb -0.11 -1.18 -0.01 0.00 -0.44 0.00 0.00 34.13 32.39 1s04 s GLU 106 CO 0.13 -0.74 1.30 -1.25 0.95 0.00 0.00 175.26 175.65 1s04 s PRO 107 N 2.30 4.12 -0.85 -4.83 0.04 -1.26 -2.21 135.00 132.32 1s04 s PRO 107 Ca 0.07 1.56 -0.02 0.00 0.04 0.00 0.00 61.00 62.65 1s04 s PRO 107 Cb -0.16 -3.81 0.35 0.00 0.04 0.00 0.00 34.50 30.92 1s04 s PRO 107 CO -0.17 -0.85 1.97 1.47 0.04 0.00 0.00 177.00 179.47 1s04 n LEU 108 N 6.98 7.42 -0.03 -3.56 -0.00 -1.14 -4.29 117.00 122.37 1s04 n LEU 108 Ca 0.14 -4.91 -0.01 0.00 -0.00 0.00 0.00 56.01 51.23 1s04 n LEU 108 Cb 0.45 -1.06 -0.07 0.00 -0.00 0.00 0.00 43.42 42.74 1s04 n LEU 108 CO 0.58 1.81 -0.74 1.21 -0.00 0.00 0.00 177.39 180.25 1s04 n GLU 109 N -0.49 1.82 0.00 1.47 4.07 -1.26 -5.01 120.64 121.23 1s04 n GLU 109 Ca 0.53 -0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.60 1s04 n GLU 109 Cb 0.25 -1.23 0.00 0.00 -0.06 0.00 0.00 31.44 30.40 1s04 n GLU 109 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05