#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 3.85 0.04 0.03 2.12 -1.26 -4.07 118.70 119.40 1s04 s GLU 2 Ca 0.00 1.27 -0.01 0.00 0.36 0.00 0.00 54.97 56.59 1s04 s GLU 2 Cb 0.00 -3.92 -0.04 0.00 0.26 0.00 0.00 34.13 30.43 1s04 s GLU 2 CO 0.00 -1.21 0.19 -1.58 -0.54 0.00 0.00 175.26 172.12 1s04 s TRP 3 N 4.65 3.50 -0.08 5.30 0.23 -0.68 -4.96 118.94 126.90 1s04 s TRP 3 Ca 0.59 0.27 -0.01 0.00 -2.03 0.00 0.00 56.10 54.92 1s04 s TRP 3 Cb -0.17 -1.77 0.03 0.00 0.03 0.00 0.00 33.47 31.58 1s04 s TRP 3 CO 0.25 0.60 0.00 -1.83 0.96 0.00 0.00 176.95 176.94 1s04 s GLU 4 N -2.29 0.61 -0.16 4.98 -1.05 -1.26 0.20 118.70 119.74 1s04 s GLU 4 Ca 0.32 0.07 0.00 0.00 -0.15 0.00 0.00 54.97 55.21 1s04 s GLU 4 Cb -0.13 -1.07 0.03 0.00 -0.44 0.00 0.00 34.13 32.52 1s04 s GLU 4 CO 0.24 -0.33 -0.13 -1.64 0.95 0.00 0.00 175.26 174.35 1s04 s MET 5 N 1.97 2.21 -1.42 -4.83 -1.94 -1.06 -4.96 119.30 109.27 1s04 s MET 5 Ca 0.05 -0.61 -0.07 0.00 -1.71 0.00 0.00 55.69 53.34 1s04 s MET 5 Cb -0.13 -2.16 0.06 0.00 2.01 0.00 0.00 34.83 34.61 1s04 s MET 5 CO -0.05 -0.28 2.52 0.41 -0.01 0.00 0.00 175.02 177.60 1s04 n GLY 6 N 4.76 4.87 3.81 -0.03 0.00 -1.26 -1.89 105.19 115.44 1s04 n GLY 6 Ca -0.16 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 1s04 n GLY 6 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1s04 s LEU 7 N -1.15 3.26 0.38 0.99 0.05 -1.26 -4.92 118.68 116.04 1s04 s LEU 7 Ca 0.58 1.69 -0.26 0.00 0.05 0.00 0.00 54.13 56.19 1s04 s LEU 7 Cb 0.18 -4.51 -0.11 0.00 -2.05 0.00 0.00 46.19 39.69 1s04 s LEU 7 CO -0.08 -1.36 1.09 1.67 -0.55 0.00 0.00 176.35 177.13 1s04 n GLN 8 N -2.74 1.56 -0.15 1.48 7.27 -1.26 -4.73 117.38 118.82 1s04 n GLN 8 Ca 0.08 0.55 -0.03 0.00 0.07 0.00 0.00 57.00 57.67 1s04 n GLN 8 Cb 0.53 -2.10 0.05 0.00 2.41 0.00 0.00 30.24 31.13 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 1.86 0.12 -0.93 3.69 4.22 -2.00 0.14 114.58 121.69 1s04 h GLU 9 Ca -0.44 -0.01 0.17 0.00 0.08 0.00 0.00 59.36 59.16 1s04 h GLU 9 Cb 1.32 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.47 1s04 h GLU 9 CO 0.59 0.08 0.59 1.49 -2.18 0.00 0.00 179.01 179.58 1s04 h GLU 10 N 0.13 0.61 -0.37 1.92 4.81 -2.01 0.50 114.58 120.16 1s04 h GLU 10 Ca 0.23 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.29 1s04 h GLU 10 Cb 0.34 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1s04 h GLU 10 CO -0.38 0.40 -0.33 0.74 -0.73 0.00 0.00 179.01 178.72 1s04 h PHE 11 N 0.62 1.04 -0.98 0.92 0.04 -1.13 -2.83 116.94 114.63 1s04 h PHE 11 Ca 0.49 -0.30 0.25 0.00 2.80 0.00 0.00 57.97 61.20 1s04 h PHE 11 Cb 0.90 -0.22 -0.07 0.00 2.20 0.00 0.00 35.95 38.76 1s04 h PHE 11 CO -0.00 1.11 0.65 -0.07 -0.60 0.00 0.00 178.31 179.40 1s04 h LEU 12 N 0.68 0.36 -0.50 1.54 4.07 0.57 1.00 115.31 123.02 1s04 h LEU 12 Ca 0.06 0.05 -0.16 0.00 0.08 0.00 0.00 57.88 57.91 1s04 h LEU 12 Cb 0.91 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.62 1s04 h LEU 12 CO 0.08 0.10 -0.74 -0.08 -1.08 0.00 0.00 178.44 176.72 1s04 h GLU 13 N 0.33 0.07 -0.41 1.13 4.57 -1.25 -3.15 114.58 115.88 1s04 h GLU 13 Ca 0.53 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.64 1s04 h GLU 13 Cb 1.45 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.03 1s04 h GLU 13 CO -0.20 0.78 0.23 -0.07 -1.18 0.00 0.00 179.01 178.57 1s04 h LEU 14 N 0.04 0.50 -1.22 1.64 3.38 0.12 -1.66 115.31 118.12 1s04 h LEU 14 Ca -0.01 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 57.97 1s04 h LEU 14 Cb 1.31 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.87 1s04 h LEU 14 CO 0.10 0.44 0.57 0.40 0.09 0.00 0.00 178.44 180.04 1s04 h ILE 15 N 0.53 0.97 -0.21 1.22 5.03 -1.29 1.35 117.51 125.11 1s04 h ILE 15 Ca 0.14 -0.30 -0.04 0.00 -0.12 0.00 0.00 64.86 64.54 1s04 h ILE 15 Cb 0.05 0.02 -0.01 0.00 -3.03 0.00 0.00 36.82 33.84 1s04 h ILE 15 CO -0.02 0.16 -0.06 0.11 -0.68 0.00 0.00 178.15 177.65 1s04 h LYS 16 N 0.87 0.32 0.00 2.37 1.57 -1.30 -1.58 116.57 118.83 1s04 h LYS 16 Ca 0.41 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.97 1s04 h LYS 16 Cb 0.41 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1s04 h LYS 16 CO -0.17 0.40 -1.09 -0.07 -0.57 0.00 0.00 179.45 177.95 1s04 h LEU 17 N 0.31 0.00 0.00 2.94 3.38 0.26 -3.22 115.31 118.98 1s04 h LEU 17 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1s04 h LEU 17 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1s04 h LEU 17 CO 0.01 0.57 0.00 0.54 0.09 0.00 0.00 178.44 179.65 1s04 n ARG 18 N -3.02 0.82 0.06 1.13 1.74 0.43 -2.83 116.66 114.98 1s04 n ARG 18 Ca -0.05 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.13 1s04 n ARG 18 Cb 0.81 -1.43 0.41 0.00 -1.02 0.00 0.00 32.46 31.23 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 -0.93 0.09 0.00 5.56 4.81 -0.88 -2.02 118.16 124.79 1s04 n LYS 19 Ca 0.17 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 1s04 n LYS 19 Cb 0.08 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 33.47 1s04 n LYS 19 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1s04 n LYS 20 N -1.82 0.79 0.00 1.64 3.00 -1.13 -4.98 118.16 115.66 1s04 n LYS 20 Ca 0.03 -0.36 0.00 0.00 -0.00 0.00 0.00 58.31 57.98 1s04 n LYS 20 Cb 0.22 -0.86 0.00 0.00 0.00 0.00 0.00 35.03 34.39 1s04 n LYS 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1s04 n LYS 21 N -0.22 0.00 -3.81 1.64 5.02 -0.86 -5.08 118.16 114.85 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 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.02 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 2.48 0.00 -0.30 -0.18 -1.09 0.12 -4.95 121.20 117.28 1s04 s ILE 22 Ca 0.00 -0.63 0.03 0.00 -2.23 0.00 0.00 60.65 57.82 1s04 s ILE 22 Cb 0.00 -2.45 0.17 0.00 -1.58 0.00 0.00 42.46 38.60 1s04 s ILE 22 CO 0.00 0.00 0.47 -0.70 -1.23 0.00 0.00 174.94 173.48 1s04 s GLU 23 N -2.70 0.47 0.45 2.79 2.56 -1.13 -4.22 118.70 116.93 1s04 s GLU 23 Ca 0.17 0.20 0.07 0.00 0.00 0.00 0.00 54.97 55.41 1s04 s GLU 23 Cb -0.02 -0.15 -0.01 0.00 2.00 0.00 0.00 34.13 35.95 1s04 s GLU 23 CO 0.04 -1.05 0.36 0.20 -0.56 0.00 0.00 175.26 174.25 1s04 s GLY 24 N 2.57 2.21 0.00 -1.50 0.00 -1.26 -2.37 107.32 106.97 1s04 s GLY 24 Ca 0.10 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 43.02 1s04 s GLY 24 CO -0.28 -1.79 0.00 -0.96 0.00 0.00 0.00 173.10 170.08 1s04 n ARG 25 N -1.57 0.00 -1.61 2.90 0.00 -0.93 -4.91 116.66 110.54 1s04 n ARG 25 Ca 0.02 0.00 -0.66 0.00 -0.00 0.00 0.00 57.85 57.21 1s04 n ARG 25 Cb 0.63 0.00 -0.10 0.00 -0.00 0.00 0.00 32.46 32.98 1s04 n ARG 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1s04 n LEU 26 N 0.00 1.11 -4.56 2.89 7.94 -1.26 -3.22 117.00 119.90 1s04 n LEU 26 Ca 0.00 1.05 -0.20 0.00 -1.11 0.00 0.00 56.01 55.75 1s04 n LEU 26 Cb 0.00 -0.89 -0.06 0.00 0.53 0.00 0.00 43.42 43.00 1s04 n LEU 26 CO 0.00 -0.81 1.30 -0.47 -1.11 0.00 0.00 177.39 176.30 1s04 s TYR 27 N 3.85 1.38 0.00 1.96 5.04 -1.25 -4.91 117.35 123.41 1s04 s TYR 27 Ca 1.09 1.48 0.00 0.00 -2.44 0.00 0.00 57.07 57.19 1s04 s TYR 27 Cb -1.49 -3.67 0.00 0.00 0.35 0.00 0.00 41.96 37.15 1s04 s TYR 27 CO 0.77 -1.69 0.00 -0.25 -1.34 0.00 0.00 175.55 173.05 1s04 n ASP 28 N 16.80 0.00 -0.03 4.32 8.00 -1.26 -4.86 116.55 139.52 1s04 n ASP 28 Ca 0.43 -0.50 -0.15 0.00 0.71 0.00 0.00 54.79 55.28 1s04 n ASP 28 Cb 0.45 0.00 -0.09 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 0.43 -0.71 -1.24 5.08 -2.00 -2.18 114.58 113.97 1s04 h GLU 29 Ca 0.00 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1s04 h GLU 29 Cb 0.00 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1s04 h GLU 29 CO 0.00 0.96 0.42 0.87 -1.00 0.00 0.00 179.01 180.26 1s04 h LYS 30 N -0.00 0.98 -0.36 2.33 1.57 -1.97 -1.56 116.57 117.55 1s04 h LYS 30 Ca -0.02 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1s04 h LYS 30 Cb 1.02 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1s04 h LYS 30 CO 0.08 0.71 0.08 0.00 -0.57 0.00 0.00 179.45 179.75 1s04 h ARG 31 N 0.98 0.52 -0.73 3.15 2.47 -1.91 -2.25 114.38 116.61 1s04 h ARG 31 Ca 0.26 -0.08 0.06 0.00 -1.26 0.00 0.00 59.98 58.95 1s04 h ARG 31 Cb -0.01 -0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.16 1s04 h ARG 31 CO -0.05 0.49 0.43 -0.09 0.56 0.00 0.00 179.97 181.31 1s04 h ARG 32 N 0.51 0.76 0.00 0.04 2.43 -0.61 0.20 114.38 117.72 1s04 h ARG 32 Ca 0.12 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1s04 h ARG 32 Cb 0.21 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1s04 h ARG 32 CO -0.00 0.51 -0.23 0.37 -1.51 0.00 0.00 179.97 179.10 1s04 h GLN 33 N 0.79 0.00 -6.72 0.20 5.75 -1.18 -3.42 115.11 110.53 1s04 h GLN 33 Ca 0.32 0.00 -0.52 0.00 -0.15 0.00 0.00 58.65 58.30 1s04 h GLN 33 Cb 0.16 0.00 0.03 0.00 1.07 0.00 0.00 27.48 28.75 1s04 h GLN 33 CO -0.17 0.23 0.61 0.42 -2.65 0.00 0.00 178.83 177.27 1s04 s ILE 34 N -4.26 3.24 0.13 2.39 1.01 0.06 -5.02 121.20 118.74 1s04 s ILE 34 Ca -0.03 1.08 -0.08 0.00 0.00 0.00 0.00 60.65 61.62 1s04 s ILE 34 Cb 0.14 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 1s04 s ILE 34 CO 0.66 0.19 0.22 -1.59 0.00 0.00 0.00 174.94 174.42 1s04 s LYS 35 N -0.53 1.01 -0.60 2.79 -2.85 -1.26 -4.97 119.74 113.32 1s04 s LYS 35 Ca 0.53 -1.12 -0.27 0.00 -1.00 0.00 0.00 55.97 54.11 1s04 s LYS 35 Cb -0.36 0.35 0.01 0.00 -2.06 0.00 0.00 37.83 35.77 1s04 s LYS 35 CO 0.40 -0.34 1.52 -1.25 0.10 0.00 0.00 175.35 175.78 1s04 s PRO 36 N -3.94 3.10 0.00 1.78 0.04 -1.26 -3.10 135.00 131.62 1s04 s PRO 36 Ca 0.13 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1s04 s PRO 36 Cb 0.04 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.37 1s04 s PRO 36 CO -0.04 -2.19 0.00 0.41 0.04 0.00 0.00 177.00 175.22 1s04 n GLY 37 N 5.41 1.88 3.29 0.56 0.00 -1.09 -4.90 105.19 110.34 1s04 n GLY 37 Ca 0.13 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.88 -4.00 1.61 8.00 -1.18 -4.85 116.55 115.25 1s04 n ASP 38 Ca 0.00 -1.27 -0.13 0.00 0.71 0.00 0.00 54.79 54.10 1s04 n ASP 38 Cb 0.00 -0.90 -0.12 0.00 -0.02 0.00 0.00 41.12 40.07 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 -3.21 0.38 -0.15 2.53 1.01 -1.26 -2.93 120.40 116.77 1s04 s VAL 39 Ca 0.65 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1s04 s VAL 39 Cb -0.04 -0.42 0.01 0.00 0.00 0.00 0.00 36.38 35.93 1s04 s VAL 39 CO 0.48 -0.23 -0.21 -0.63 0.00 0.00 0.00 175.10 174.51 1s04 s ILE 40 N -0.92 2.15 -0.50 2.22 1.09 0.18 -1.69 121.20 123.73 1s04 s ILE 40 Ca -0.07 -0.94 -0.16 0.00 -1.10 0.00 0.00 60.65 58.38 1s04 s ILE 40 Cb -0.07 -1.87 0.09 0.00 -1.06 0.00 0.00 42.46 39.56 1s04 s ILE 40 CO -0.00 0.54 0.46 -0.94 -0.10 0.00 0.00 174.94 174.90 1s04 s SER 41 N 0.88 6.17 0.11 3.58 1.04 0.54 -1.70 113.70 124.33 1s04 s SER 41 Ca -0.05 -1.48 -0.29 0.00 0.48 0.00 0.00 55.95 54.61 1s04 s SER 41 Cb -0.15 -2.20 -0.06 0.00 0.10 0.00 0.00 66.02 63.70 1s04 s SER 41 CO -0.03 -0.76 0.91 -0.36 0.98 0.00 0.00 173.24 173.98 1s04 s PHE 42 N 1.71 3.82 -1.45 5.02 0.08 -0.23 -2.57 117.98 124.36 1s04 s PHE 42 Ca 0.04 1.74 -0.11 0.00 0.12 0.00 0.00 56.93 58.73 1s04 s PHE 42 Cb -0.26 -2.98 0.05 0.00 -0.57 0.00 0.00 43.02 39.26 1s04 s PHE 42 CO 0.06 0.26 1.03 0.39 -0.10 0.00 0.00 175.22 176.86 1s04 n GLU 43 N 2.59 -6.33 0.00 0.44 1.02 -0.79 -0.43 120.64 117.14 1s04 n GLU 43 Ca 0.00 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 1s04 n GLU 43 Cb 0.49 -5.61 0.00 0.00 -0.02 0.00 0.00 31.44 26.30 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 -1.77 1.90 0.71 0.62 0.00 -1.24 -3.48 105.19 101.93 1s04 n GLY 44 Ca -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.01 0.19 -0.02 0.00 -1.05 -4.76 105.19 99.54 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 0.68 -3.07 1.61 3.64 -0.78 -3.43 116.57 115.23 1s04 h LYS 46 Ca -0.25 -0.74 -0.42 0.00 -1.27 0.00 0.00 60.65 57.97 1s04 h LYS 46 Cb 0.90 0.21 -0.40 0.00 -0.41 0.00 0.00 32.23 32.53 1s04 h LYS 46 CO -0.13 1.32 -0.73 -1.17 -2.27 0.00 0.00 179.45 176.46 1s04 s LEU 47 N -8.13 0.24 -0.11 5.20 1.98 -1.08 -5.01 118.68 111.78 1s04 s LEU 47 Ca -0.10 -0.38 -0.08 0.00 -2.89 0.00 0.00 54.13 50.67 1s04 s LEU 47 Cb 0.07 -0.14 -0.04 0.00 0.66 0.00 0.00 46.19 46.73 1s04 s LEU 47 CO 0.92 -0.32 0.18 -0.54 -1.89 0.00 0.00 176.35 174.70 1s04 s LYS 48 N 2.17 3.57 0.01 1.98 -0.14 -1.26 -1.07 119.74 125.00 1s04 s LYS 48 Ca 0.03 -0.05 -0.02 0.00 -1.36 0.00 0.00 55.97 54.57 1s04 s LYS 48 Cb -0.15 -3.21 -0.01 0.00 -1.68 0.00 0.00 37.83 32.78 1s04 s LYS 48 CO -0.08 0.73 0.03 0.14 -0.76 0.00 0.00 175.35 175.41 1s04 s VAL 49 N -0.93 0.08 -0.18 3.17 -7.23 -0.69 -2.37 120.40 112.24 1s04 s VAL 49 Ca 0.16 -0.70 -0.00 0.00 -1.81 0.00 0.00 61.98 59.63 1s04 s VAL 49 Cb -0.13 -0.28 0.05 0.00 0.56 0.00 0.00 36.38 36.58 1s04 s VAL 49 CO 0.05 -0.38 -0.06 -0.60 -0.31 0.00 0.00 175.10 173.80 1s04 s ARG 50 N -1.18 1.54 0.29 4.82 3.52 -0.95 0.49 118.95 127.48 1s04 s ARG 50 Ca -0.13 -0.65 -0.26 0.00 -0.13 0.00 0.00 55.73 54.55 1s04 s ARG 50 Cb -0.08 -2.19 -0.15 0.00 -1.56 0.00 0.00 34.95 30.98 1s04 s ARG 50 CO -0.00 -0.47 0.66 0.28 -0.81 0.00 0.00 175.30 174.96 1s04 n VAL 51 N 4.81 1.86 -0.08 7.11 0.31 -1.15 -3.35 118.33 127.85 1s04 n VAL 51 Ca -0.12 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.59 1s04 n VAL 51 Cb 0.47 -0.44 -0.07 0.00 -0.91 0.00 0.00 33.84 32.89 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 0.84 0.37 -3.55 5.55 4.76 0.53 -2.68 118.16 123.99 1s04 n LYS 52 Ca 0.13 0.10 -0.07 0.00 -2.87 0.00 0.00 58.31 55.60 1s04 n LYS 52 Cb 0.31 -1.27 -0.03 0.00 -1.84 0.00 0.00 35.03 32.21 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 -2.30 -1.94 0.12 7.82 0.00 -0.99 -4.76 121.76 119.70 1s04 s ALA 53 Ca -0.21 1.36 0.10 0.00 0.00 0.00 0.00 51.96 53.21 1s04 s ALA 53 Cb 0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1s04 s ALA 53 CO 0.34 -0.58 -0.22 -1.50 0.00 0.00 0.00 175.76 173.80 1s04 s ILE 54 N -2.46 2.56 0.08 0.00 2.07 -1.26 0.11 121.20 122.30 1s04 s ILE 54 Ca 0.06 -1.61 -0.04 0.00 -1.41 0.00 0.00 60.65 57.65 1s04 s ILE 54 Cb -0.01 -2.15 -0.03 0.00 0.13 0.00 0.00 42.46 40.40 1s04 s ILE 54 CO -0.06 0.11 0.07 -0.13 -1.91 0.00 0.00 174.94 173.02 1s04 s ARG 55 N -2.07 0.77 0.01 3.50 1.81 -1.04 -4.96 118.95 116.98 1s04 s ARG 55 Ca 0.16 -1.19 0.03 0.00 -1.72 0.00 0.00 55.73 53.01 1s04 s ARG 55 Cb -0.10 0.26 -0.01 0.00 -0.45 0.00 0.00 34.95 34.65 1s04 s ARG 55 CO 0.08 -0.20 -0.09 0.08 -0.68 0.00 0.00 175.30 174.48 1s04 s VAL 56 N -3.93 0.72 0.39 3.52 1.01 -1.26 -2.00 120.40 118.85 1s04 s VAL 56 Ca 0.10 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.49 1s04 s VAL 56 Cb 0.07 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 1s04 s VAL 56 CO -0.07 0.02 0.18 -0.31 0.00 0.00 0.00 175.10 174.91 1s04 s TYR 57 N -0.58 1.76 -0.01 5.22 1.51 0.65 -4.91 117.35 120.99 1s04 s TYR 57 Ca 0.00 -1.41 -0.21 0.00 -1.01 0.00 0.00 57.07 54.44 1s04 s TYR 57 Cb -0.06 -1.01 -0.23 0.00 -0.11 0.00 0.00 41.96 40.55 1s04 s TYR 57 CO 0.00 -0.49 1.09 -0.91 -1.11 0.00 0.00 175.55 174.14 1s04 h ASN 58 N 1.89 0.43 -5.14 2.29 2.35 -1.95 -3.31 115.58 112.14 1s04 h ASN 58 Ca -0.32 -0.75 -0.01 0.00 -0.55 0.00 0.00 56.30 54.67 1s04 h ASN 58 Cb 1.26 -0.13 -0.07 0.00 0.05 0.00 0.00 38.32 39.43 1s04 h ASN 58 CO 0.50 1.12 0.04 -0.55 -1.65 0.00 0.00 177.43 176.89 1s04 s SER 59 N -6.58 -0.13 0.31 5.81 0.15 -1.26 -4.47 113.70 107.53 1s04 s SER 59 Ca -0.14 -0.82 -0.00 0.00 0.70 0.00 0.00 55.95 55.69 1s04 s SER 59 Cb 0.03 0.66 0.50 0.00 -1.71 0.00 0.00 66.02 65.50 1s04 s SER 59 CO 0.79 -1.26 1.95 -0.26 1.20 0.00 0.00 173.24 175.67 1s04 h PHE 60 N 2.13 0.92 -0.62 3.44 0.04 -1.93 -2.06 116.94 118.86 1s04 h PHE 60 Ca -0.23 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.59 1s04 h PHE 60 Cb 1.25 -0.30 -0.05 0.00 2.20 0.00 0.00 35.95 39.05 1s04 h PHE 60 CO 0.48 0.62 0.33 -0.09 -0.60 0.00 0.00 178.31 179.05 1s04 h ARG 61 N 0.96 0.61 -0.65 1.51 2.43 -1.96 0.23 114.38 117.50 1s04 h ARG 61 Ca 0.25 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.31 1s04 h ARG 61 Cb -0.03 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 1s04 h ARG 61 CO -0.05 0.40 0.12 0.93 -1.51 0.00 0.00 179.97 179.87 1s04 h GLU 62 N 0.62 1.07 0.01 0.20 3.07 -1.81 0.27 114.58 118.02 1s04 h GLU 62 Ca 0.28 -0.28 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1s04 h GLU 62 Cb 0.18 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1s04 h GLU 62 CO -0.18 0.98 -0.00 0.52 -1.40 0.00 0.00 179.01 178.93 1s04 h MET 63 N 0.99 -0.01 -0.08 2.33 2.86 -0.65 1.39 114.93 121.76 1s04 h MET 63 Ca 0.20 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.77 1s04 h MET 63 Cb 0.42 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1s04 h MET 63 CO 0.01 0.13 -0.29 -0.07 1.06 0.00 0.00 176.91 177.75 1s04 h LEU 64 N -0.15 0.15 -0.08 1.22 3.38 -0.49 1.72 115.31 121.05 1s04 h LEU 64 Ca -0.00 -0.05 -0.25 0.00 0.09 0.00 0.00 57.88 57.67 1s04 h LEU 64 Cb 0.15 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.87 1s04 h LEU 64 CO 0.00 0.45 -1.02 -0.33 0.09 0.00 0.00 178.44 177.63 1s04 h GLU 65 N 0.14 0.52 0.00 1.13 5.08 -0.05 0.38 114.58 121.77 1s04 h GLU 65 Ca 0.02 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1s04 h GLU 65 Cb 0.59 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1s04 h GLU 65 CO 0.04 1.21 -0.08 -0.22 -1.00 0.00 0.00 179.01 178.96 1s04 h LYS 66 N 0.28 0.00 0.37 2.33 1.63 0.23 -3.40 116.57 118.01 1s04 h LYS 66 Ca -0.11 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.67 1s04 h LYS 66 Cb 1.66 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.30 1s04 h LYS 66 CO 0.19 0.00 -0.18 0.93 -3.45 0.00 0.00 179.45 176.94 1s04 h GLU 67 N -0.45 -0.48 0.00 1.90 4.39 0.24 -3.49 114.58 116.69 1s04 h GLU 67 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1s04 h GLU 67 Cb 0.08 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1s04 h GLU 67 CO 0.00 -0.23 0.00 0.41 -1.16 0.00 0.00 179.01 178.03 1s04 n GLY 68 N -0.85 3.64 0.49 -3.84 0.00 0.02 -4.76 105.19 99.89 1s04 n GLY 68 Ca -0.10 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.51 -1.47 0.99 5.85 -0.64 0.28 115.31 118.81 1s04 h LEU 69 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1s04 h LEU 69 Cb 0.00 0.54 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1s04 h LEU 69 CO 0.00 -0.60 0.00 -0.33 -0.34 0.00 0.00 178.44 177.17 1s04 h GLU 70 N -0.84 0.00 -0.62 1.25 5.08 -1.87 1.21 114.58 118.78 1s04 h GLU 70 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1s04 h GLU 70 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1s04 h GLU 70 CO -0.21 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.89 1s04 n ASN 71 N -2.69 3.80 0.00 1.42 3.02 0.31 -4.17 115.26 116.94 1s04 n ASN 71 Ca 0.00 -2.33 0.00 0.00 -0.03 0.00 0.00 54.58 52.22 1s04 n ASN 71 Cb 0.20 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 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 0.85 0.00 -3.77 2.41 0.31 0.72 0.14 118.33 119.00 1s04 n VAL 72 Ca 0.20 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.23 1s04 n VAL 72 Cb 0.71 -0.33 -0.14 0.00 -0.91 0.00 0.00 33.84 33.17 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 -4.29 2.78 -0.06 7.52 2.96 0.40 -4.61 118.68 123.37 1s04 s LEU 73 Ca 0.00 -2.08 -0.30 0.00 -0.22 0.00 0.00 54.13 51.53 1s04 s LEU 73 Cb 0.00 -1.04 -0.03 0.00 0.50 0.00 0.00 46.19 45.61 1s04 s LEU 73 CO 0.00 -0.35 1.22 -2.16 -1.32 0.00 0.00 176.35 173.74 1s04 s PRO 74 N 1.04 4.33 0.00 0.98 0.04 -1.26 -3.02 135.00 137.12 1s04 s PRO 74 Ca 0.13 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1s04 s PRO 74 Cb -0.20 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.76 1s04 s PRO 74 CO -0.13 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.83 1s04 n GLY 75 N 3.41 1.61 3.23 0.56 0.00 -1.26 -5.08 105.19 107.66 1s04 n GLY 75 Ca 0.11 -0.24 -0.39 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 0.15 0.04 1.61 3.14 -1.17 -4.88 118.33 117.23 1s04 n VAL 76 Ca 0.00 -0.49 -0.15 0.00 -2.96 0.00 0.00 64.34 60.73 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 0.07 0.19 -2.10 1.45 1.57 -1.91 -3.49 116.57 112.35 1s04 h LYS 77 Ca -0.40 -0.32 0.19 0.00 -1.87 0.00 0.00 60.65 58.26 1s04 h LYS 77 Cb 1.43 0.12 -0.11 0.00 0.08 0.00 0.00 32.23 33.75 1s04 h LYS 77 CO 0.43 1.00 0.57 -1.12 -0.57 0.00 0.00 179.45 179.76 1s04 s SER 78 N -6.80 -0.20 0.31 0.86 0.01 -1.26 -4.96 113.70 101.65 1s04 s SER 78 Ca -0.09 -0.22 0.05 0.00 1.31 0.00 0.00 55.95 57.00 1s04 s SER 78 Cb 0.07 0.38 0.70 0.00 0.21 0.00 0.00 66.02 67.38 1s04 s SER 78 CO 0.84 -0.67 1.81 0.40 0.41 0.00 0.00 173.24 176.03 1s04 h ILE 79 N 2.00 0.80 -0.18 1.44 2.04 -1.99 0.42 117.51 122.04 1s04 h ILE 79 Ca -0.24 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 1s04 h ILE 79 Cb 1.22 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1s04 h ILE 79 CO 0.27 0.15 0.02 -0.33 0.00 0.00 0.00 178.15 178.26 1s04 h GLU 80 N 0.82 0.31 -0.75 2.37 4.39 -2.00 -2.35 114.58 117.37 1s04 h GLU 80 Ca 0.53 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 60.12 1s04 h GLU 80 Cb 0.75 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.33 1s04 h GLU 80 CO -0.31 0.49 0.40 0.93 -1.16 0.00 0.00 179.01 179.36 1s04 h GLU 81 N 0.09 1.04 -0.08 2.33 4.39 -1.42 -2.55 114.58 118.38 1s04 h GLU 81 Ca 0.05 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.65 1s04 h GLU 81 Cb 0.34 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1s04 h GLU 81 CO 0.01 0.77 -0.05 0.78 -1.16 0.00 0.00 179.01 179.36 1s04 h GLY 82 N 1.09 0.02 0.54 -3.84 0.00 -0.04 -1.64 103.07 99.20 1s04 h GLY 82 Ca 0.26 0.06 0.12 0.00 0.00 0.00 0.00 47.33 47.77 1s04 h GLY 82 CO -0.04 -0.06 0.62 -2.22 0.00 0.00 0.00 176.54 174.84 1s04 h ILE 83 N -0.05 0.93 -0.91 2.60 2.04 -1.10 0.13 117.51 121.15 1s04 h ILE 83 Ca 0.05 -0.33 0.10 0.00 1.00 0.00 0.00 64.86 65.68 1s04 h ILE 83 Cb 0.12 -0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 36.02 1s04 h ILE 83 CO -0.11 0.17 0.59 1.56 0.00 0.00 0.00 178.15 180.36 1s04 h GLN 84 N 0.95 0.87 -0.68 2.37 7.50 -0.92 0.62 115.11 125.82 1s04 h GLN 84 Ca 0.47 -0.05 -0.08 0.00 0.50 0.00 0.00 58.65 59.49 1s04 h GLN 84 Cb 0.49 -0.20 -0.03 0.00 0.05 0.00 0.00 27.48 27.79 1s04 h GLN 84 CO -0.24 0.58 0.11 0.28 -1.50 0.00 0.00 178.83 178.06 1s04 h VAL 85 N 0.90 1.27 0.00 -0.54 2.07 -0.35 0.50 116.25 120.09 1s04 h VAL 85 Ca 0.43 -1.05 -0.08 0.00 0.82 0.00 0.00 66.70 66.83 1s04 h VAL 85 Cb 0.44 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1s04 h VAL 85 CO -0.19 0.39 -0.36 1.88 0.02 0.00 0.00 177.57 179.31 1s04 h TYR 86 N 1.05 0.00 -0.01 1.57 0.05 -0.48 -1.98 116.97 117.18 1s04 h TYR 86 Ca 0.21 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.87 1s04 h TYR 86 Cb 0.45 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.20 1s04 h TYR 86 CO 0.03 0.36 -0.45 -0.09 -1.05 0.00 0.00 178.16 176.97 1s04 h ARG 87 N 0.00 0.31 -0.39 4.88 2.43 0.70 0.43 114.38 122.75 1s04 h ARG 87 Ca -0.00 -0.33 -0.10 0.00 -0.81 0.00 0.00 59.98 58.74 1s04 h ARG 87 Cb 1.02 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 1s04 h ARG 87 CO 0.05 1.02 -0.16 0.07 -1.51 0.00 0.00 179.97 179.44 1s04 h ARG 88 N -0.26 0.72 0.04 0.20 0.11 -0.92 -3.25 114.38 111.01 1s04 h ARG 88 Ca -0.05 -0.26 -0.00 0.00 0.10 0.00 0.00 59.98 59.77 1s04 h ARG 88 Cb 1.17 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1s04 h ARG 88 CO 0.09 0.84 -0.02 0.74 0.10 0.00 0.00 179.97 181.72 1s04 h PHE 89 N 0.65 -0.04 -3.41 4.08 0.04 -1.41 -3.46 116.94 113.39 1s04 h PHE 89 Ca 0.10 -0.00 -0.66 0.00 2.80 0.00 0.00 57.97 60.21 1s04 h PHE 89 Cb 0.63 0.01 -0.14 0.00 2.20 0.00 0.00 35.95 38.66 1s04 h PHE 89 CO 0.03 0.58 -0.66 0.71 -0.60 0.00 0.00 178.31 178.36 1s04 s TYR 90 N -2.45 3.00 0.58 -0.55 2.02 0.15 -5.08 117.35 115.03 1s04 s TYR 90 Ca -0.13 0.02 -0.21 0.00 -0.37 0.00 0.00 57.07 56.38 1s04 s TYR 90 Cb -0.01 -1.61 -0.04 0.00 -0.40 0.00 0.00 41.96 39.90 1s04 s TYR 90 CO 0.48 0.45 1.35 -0.51 -1.57 0.00 0.00 175.55 175.75 1s04 s ASP 91 N -1.80 5.06 0.17 2.29 1.01 -1.26 -3.94 116.67 118.20 1s04 s ASP 91 Ca 0.21 2.74 -0.06 0.00 0.71 0.00 0.00 52.55 56.15 1s04 s ASP 91 Cb -0.11 -2.63 0.06 0.00 1.01 0.00 0.00 42.92 41.25 1s04 s ASP 91 CO 0.13 -1.71 1.50 1.05 0.21 0.00 0.00 175.17 176.34 1s04 h GLU 92 N 1.19 0.69 0.01 8.23 4.11 -1.90 -1.15 114.58 125.77 1s04 h GLU 92 Ca -0.51 -0.41 -0.00 0.00 0.07 0.00 0.00 59.36 58.51 1s04 h GLU 92 Cb 1.31 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1s04 h GLU 92 CO 0.56 1.03 -0.00 1.49 0.07 0.00 0.00 179.01 182.15 1s04 h GLU 93 N 0.55 -0.01 -0.91 1.06 4.81 -1.97 -0.46 114.58 117.65 1s04 h GLU 93 Ca 0.02 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.34 1s04 h GLU 93 Cb 1.05 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.37 1s04 h GLU 93 CO 0.10 0.57 0.56 1.57 -0.73 0.00 0.00 179.01 181.08 1s04 h LYS 94 N -0.60 0.95 0.22 1.92 2.10 -1.95 0.82 116.57 120.03 1s04 h LYS 94 Ca -0.00 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.58 1s04 h LYS 94 Cb 0.59 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 1s04 h LYS 94 CO 0.00 0.63 -0.10 1.49 -2.00 0.00 0.00 179.45 179.47 1s04 h GLU 95 N 0.98 -0.28 0.00 0.07 4.22 -1.19 -1.79 114.58 116.58 1s04 h GLU 95 Ca 0.41 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.87 1s04 h GLU 95 Cb 0.27 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1s04 h GLU 95 CO -0.21 -0.00 0.00 0.87 -2.18 0.00 0.00 179.01 177.49 1s04 h LYS 96 N -0.55 0.00 0.32 1.92 1.57 -0.48 1.59 116.57 120.94 1s04 h LYS 96 Ca -0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1s04 h LYS 96 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1s04 h LYS 96 CO 0.05 0.00 -0.15 -0.22 -0.57 0.00 0.00 179.45 178.55 1s04 h LYS 97 N 0.00 -0.41 0.00 3.15 3.64 0.13 -3.41 116.57 119.66 1s04 h LYS 97 Ca 0.00 0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.24 1s04 h LYS 97 Cb 0.21 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1s04 h LYS 97 CO 0.00 -0.23 -1.19 0.66 -2.27 0.00 0.00 179.45 176.42 1s04 n TYR 98 N -5.06 0.74 0.00 1.91 4.01 -0.73 -5.08 117.16 112.94 1s04 n TYR 98 Ca -0.06 0.32 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 1s04 n TYR 98 Cb 0.19 -0.92 0.00 0.00 -0.31 0.00 0.00 39.34 38.30 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 1.47 0.25 3.33 2.72 0.00 0.54 -4.99 105.19 108.51 1s04 n GLY 99 Ca -0.26 -1.97 -0.23 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.40 1.86 -0.22 1.61 1.01 -1.25 -3.95 120.40 119.06 1s04 s VAL 100 Ca 0.00 -1.82 -0.04 0.00 0.00 0.00 0.00 61.98 60.13 1s04 s VAL 100 Cb 0.00 -1.79 0.07 0.00 0.00 0.00 0.00 36.38 34.66 1s04 s VAL 100 CO 0.00 -0.21 0.08 0.68 0.00 0.00 0.00 175.10 175.65 1s04 s VAL 101 N -1.72 0.23 -0.80 2.92 -7.23 -1.20 -0.25 120.40 112.35 1s04 s VAL 101 Ca 0.13 -0.54 -0.26 0.00 -1.81 0.00 0.00 61.98 59.50 1s04 s VAL 101 Cb -0.07 -0.92 0.03 0.00 0.56 0.00 0.00 36.38 35.97 1s04 s VAL 101 CO 0.06 -0.38 1.38 0.00 -0.31 0.00 0.00 175.10 175.84 1s04 s ALA 102 N 1.98 2.67 0.01 1.32 0.00 -0.85 -2.20 121.76 124.70 1s04 s ALA 102 Ca 0.03 -1.52 -0.21 0.00 0.00 0.00 0.00 51.96 50.26 1s04 s ALA 102 Cb -0.17 -4.33 -0.06 0.00 0.00 0.00 0.00 23.12 18.57 1s04 s ALA 102 CO -0.16 -3.45 0.60 0.42 0.00 0.00 0.00 175.76 173.18 1s04 s ILE 103 N 5.92 4.86 -0.40 0.00 1.09 -1.00 -2.50 121.20 129.16 1s04 s ILE 103 Ca 0.41 1.26 -0.18 0.00 -1.10 0.00 0.00 60.65 61.04 1s04 s ILE 103 Cb -0.06 -3.94 0.01 0.00 -1.06 0.00 0.00 42.46 37.41 1s04 s ILE 103 CO 0.09 0.44 0.52 -0.70 -0.10 0.00 0.00 174.94 175.19 1s04 s GLU 104 N -0.37 3.31 0.49 2.79 2.12 0.29 -2.85 118.70 124.50 1s04 s GLU 104 Ca 0.31 -0.47 0.07 0.00 0.36 0.00 0.00 54.97 55.25 1s04 s GLU 104 Cb -0.19 -3.91 0.02 0.00 0.26 0.00 0.00 34.13 30.31 1s04 s GLU 104 CO 0.18 -0.83 0.47 0.96 -0.54 0.00 0.00 175.26 175.50 1s04 s ILE 105 N 2.41 2.25 -0.29 -3.70 -0.00 -1.26 0.20 121.20 120.81 1s04 s ILE 105 Ca 0.17 -1.31 0.03 0.00 -0.00 0.00 0.00 60.65 59.54 1s04 s ILE 105 Cb -0.16 -2.57 0.20 0.00 -0.00 0.00 0.00 42.46 39.93 1s04 s ILE 105 CO 0.15 0.00 0.66 -0.70 -0.00 0.00 0.00 174.94 175.05 1s04 s GLU 106 N -4.29 0.50 -0.63 0.37 2.56 -1.21 -4.77 118.70 111.23 1s04 s GLU 106 Ca 0.46 0.50 -0.27 0.00 0.00 0.00 0.00 54.97 55.66 1s04 s GLU 106 Cb -0.04 0.23 0.01 0.00 2.00 0.00 0.00 34.13 36.33 1s04 s GLU 106 CO 0.28 -0.93 1.54 -1.25 -0.56 0.00 0.00 175.26 174.34 1s04 s PRO 107 N 2.85 3.04 -1.31 4.30 0.04 -1.26 -2.23 135.00 140.43 1s04 s PRO 107 Ca 0.13 0.32 -0.17 0.00 0.04 0.00 0.00 61.00 61.32 1s04 s PRO 107 Cb -0.09 -4.23 0.08 0.00 0.04 0.00 0.00 34.50 30.30 1s04 s PRO 107 CO -0.25 -2.27 1.78 1.47 0.04 0.00 0.00 177.00 177.77 1s04 n LEU 108 N 10.62 5.30 0.00 -3.56 -0.00 -1.00 -4.80 117.00 123.57 1s04 n LEU 108 Ca 0.13 -4.03 0.00 0.00 -0.00 0.00 0.00 56.01 52.10 1s04 n LEU 108 Cb 0.50 -1.71 0.00 0.00 -0.00 0.00 0.00 43.42 42.21 1s04 n LEU 108 CO 0.71 0.39 0.00 1.21 -0.00 0.00 0.00 177.39 179.70 1s04 n GLU 109 N 7.62 1.02 0.00 1.47 4.07 -1.26 -4.82 120.64 128.74 1s04 n GLU 109 Ca 0.48 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.58 1s04 n GLU 109 Cb 0.44 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.82 1s04 n GLU 109 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73