#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 2.88 0.08 2.12 2.12 -1.26 -4.59 118.70 120.05 1s04 s GLU 2 Ca 0.00 -0.58 0.09 0.00 0.36 0.00 0.00 54.97 54.84 1s04 s GLU 2 Cb 0.00 -2.73 -0.04 0.00 0.26 0.00 0.00 34.13 31.62 1s04 s GLU 2 CO 0.00 0.63 -0.21 -1.58 -0.54 0.00 0.00 175.26 173.55 1s04 s TRP 3 N -1.14 2.46 0.01 5.30 0.52 -0.93 -5.06 118.94 120.10 1s04 s TRP 3 Ca 0.21 -0.31 -0.00 0.00 0.02 0.00 0.00 56.10 56.01 1s04 s TRP 3 Cb -0.12 -1.38 -0.01 0.00 -1.15 0.00 0.00 33.47 30.82 1s04 s TRP 3 CO 0.12 0.28 -0.00 -1.83 0.02 0.00 0.00 176.95 175.54 1s04 s GLU 4 N -1.71 0.16 -0.11 4.98 1.03 -1.26 -0.64 118.70 121.15 1s04 s GLU 4 Ca 0.15 -0.27 -0.09 0.00 0.03 0.00 0.00 54.97 54.79 1s04 s GLU 4 Cb -0.10 0.06 0.04 0.00 -0.80 0.00 0.00 34.13 33.32 1s04 s GLU 4 CO 0.06 -0.03 0.29 -1.64 -1.33 0.00 0.00 175.26 172.62 1s04 s MET 5 N -0.67 0.31 0.01 -4.83 -1.94 -0.84 -4.96 119.30 106.38 1s04 s MET 5 Ca -0.07 0.47 -0.14 0.00 -1.71 0.00 0.00 55.69 54.23 1s04 s MET 5 Cb -0.05 0.08 -0.06 0.00 2.01 0.00 0.00 34.83 36.82 1s04 s MET 5 CO -0.00 -0.08 0.41 0.20 -0.01 0.00 0.00 175.02 175.53 1s04 s GLY 6 N 0.54 2.46 0.22 -0.03 0.00 -1.26 -1.77 107.32 107.48 1s04 s GLY 6 Ca -0.03 -0.24 -0.22 0.00 0.00 0.00 0.00 44.72 44.23 1s04 s GLY 6 CO -0.03 0.11 0.92 0.48 0.00 0.00 0.00 173.10 174.58 1s04 s LEU 7 N -1.18 -0.12 0.75 0.66 2.34 -1.26 -4.92 118.68 114.95 1s04 s LEU 7 Ca 0.25 -0.62 -0.11 0.00 0.06 0.00 0.00 54.13 53.71 1s04 s LEU 7 Cb -0.16 2.34 0.04 0.00 -0.56 0.00 0.00 46.19 47.85 1s04 s LEU 7 CO 0.14 -1.12 1.08 -1.10 -1.06 0.00 0.00 176.35 174.29 1s04 s GLN 8 N -2.96 2.45 0.09 1.48 -0.21 -1.26 -4.76 119.66 114.49 1s04 s GLN 8 Ca 0.15 0.78 -0.18 0.00 0.02 0.00 0.00 55.36 56.13 1s04 s GLN 8 Cb -0.03 -1.95 -0.08 0.00 1.00 0.00 0.00 33.01 31.95 1s04 s GLN 8 CO 0.05 -1.40 1.49 1.49 -2.12 0.00 0.00 175.29 174.81 1s04 h GLU 9 N -0.93 0.51 -0.84 2.91 4.81 -2.02 -2.49 114.58 116.54 1s04 h GLU 9 Ca -0.46 -0.19 0.18 0.00 -0.13 0.00 0.00 59.36 58.77 1s04 h GLU 9 Cb 1.24 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.53 1s04 h GLU 9 CO 0.58 0.71 0.56 1.05 -0.73 0.00 0.00 179.01 181.18 1s04 h GLU 10 N 0.27 0.38 0.00 1.92 -0.00 -2.00 0.46 114.58 115.61 1s04 h GLU 10 Ca 0.07 -0.02 -0.13 0.00 -0.00 0.00 0.00 59.36 59.27 1s04 h GLU 10 Cb 0.52 -0.09 -0.02 0.00 -0.00 0.00 0.00 28.75 29.16 1s04 h GLU 10 CO 0.02 0.25 -0.63 0.35 -0.00 0.00 0.00 179.01 179.00 1s04 h PHE 11 N 0.39 0.00 -0.05 2.06 3.04 -1.87 -3.14 116.94 117.37 1s04 h PHE 11 Ca 0.43 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.37 1s04 h PHE 11 Cb 1.06 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.57 1s04 h PHE 11 CO -0.00 0.63 -0.01 -0.07 -2.02 0.00 0.00 178.31 176.84 1s04 h LEU 12 N 0.00 0.09 -1.87 0.59 3.38 0.33 -2.68 115.31 115.15 1s04 h LEU 12 Ca -0.01 -0.35 0.15 0.00 0.09 0.00 0.00 57.88 57.77 1s04 h LEU 12 Cb 1.25 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 1s04 h LEU 12 CO 0.08 0.42 0.42 -0.08 0.09 0.00 0.00 178.44 179.36 1s04 h GLU 13 N -0.23 0.13 -0.46 1.13 4.57 -1.31 0.84 114.58 119.24 1s04 h GLU 13 Ca 0.01 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1s04 h GLU 13 Cb 0.37 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 1s04 h GLU 13 CO 0.00 0.09 0.28 -0.07 -1.18 0.00 0.00 179.01 178.13 1s04 h LEU 14 N 0.13 0.55 -1.28 1.64 3.38 -1.43 -1.41 115.31 116.89 1s04 h LEU 14 Ca 0.28 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.25 1s04 h LEU 14 Cb 0.94 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 1s04 h LEU 14 CO -0.04 0.44 0.51 0.40 0.09 0.00 0.00 178.44 179.85 1s04 h ILE 15 N 0.62 1.08 -0.01 1.22 5.03 -0.73 0.47 117.51 125.20 1s04 h ILE 15 Ca 0.17 -0.31 -0.05 0.00 -0.12 0.00 0.00 64.86 64.55 1s04 h ILE 15 Cb -0.01 0.10 -0.01 0.00 -3.03 0.00 0.00 36.82 33.87 1s04 h ILE 15 CO -0.03 0.16 -0.23 0.50 -0.68 0.00 0.00 178.15 177.87 1s04 h LYS 16 N 0.90 0.01 0.00 2.37 3.64 -0.96 -1.17 116.57 121.36 1s04 h LYS 16 Ca 0.32 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.63 1s04 h LYS 16 Cb 0.13 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1s04 h LYS 16 CO -0.10 0.25 -0.72 -0.07 -2.27 0.00 0.00 179.45 176.53 1s04 h LEU 17 N 0.01 0.00 0.00 5.20 3.38 0.22 -3.18 115.31 120.94 1s04 h LEU 17 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s04 h LEU 17 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1s04 h LEU 17 CO 0.03 0.26 0.00 0.54 0.09 0.00 0.00 178.44 179.36 1s04 n ARG 18 N -2.97 0.89 0.00 1.13 1.74 0.13 -2.88 116.66 114.71 1s04 n ARG 18 Ca -0.01 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.17 1s04 n ARG 18 Cb 0.66 -1.45 0.43 0.00 -1.02 0.00 0.00 32.46 31.07 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 -0.95 0.05 0.00 5.56 4.81 -1.07 -2.40 118.16 124.15 1s04 n LYS 19 Ca 0.19 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1s04 n LYS 19 Cb 0.09 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.64 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 -1.46 0.77 0.00 1.64 4.81 -1.14 -4.98 118.16 117.80 1s04 n LYS 20 Ca 0.05 -0.71 0.00 0.00 -0.87 0.00 0.00 58.31 56.78 1s04 n LYS 20 Cb 0.22 -0.70 0.00 0.00 0.02 0.00 0.00 35.03 34.56 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 -0.15 0.00 -3.76 1.64 5.02 -1.01 -5.10 118.16 114.80 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 0.33 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.33 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 2.14 0.00 -0.30 -0.18 -1.09 0.23 -4.96 121.20 117.04 1s04 s ILE 22 Ca 0.00 -0.66 -0.01 0.00 -2.23 0.00 0.00 60.65 57.75 1s04 s ILE 22 Cb 0.00 -2.05 0.13 0.00 -1.58 0.00 0.00 42.46 38.96 1s04 s ILE 22 CO 0.00 0.00 0.28 -0.70 -1.23 0.00 0.00 174.94 173.29 1s04 s GLU 23 N -3.21 0.35 0.59 2.79 2.12 -1.09 -4.15 118.70 116.10 1s04 s GLU 23 Ca 0.13 -0.32 0.05 0.00 0.36 0.00 0.00 54.97 55.19 1s04 s GLU 23 Cb -0.01 -0.75 0.11 0.00 0.26 0.00 0.00 34.13 33.73 1s04 s GLU 23 CO 0.03 -1.05 0.81 0.41 -0.54 0.00 0.00 175.26 174.91 1s04 n GLY 24 N 5.14 1.41 0.00 -1.50 0.00 -1.26 -1.84 105.19 107.15 1s04 n GLY 24 Ca -0.01 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1s04 n GLY 24 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1s04 n ARG 25 N -2.38 0.00 -1.42 1.61 0.63 -1.16 -4.89 116.66 109.05 1s04 n ARG 25 Ca 0.15 0.00 -0.56 0.00 -0.92 0.00 0.00 57.85 56.53 1s04 n ARG 25 Cb 0.55 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.38 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 0.54 -4.44 6.15 7.94 -1.26 -3.63 117.00 122.29 1s04 n LEU 26 Ca 0.00 1.02 -0.29 0.00 -1.11 0.00 0.00 56.01 55.64 1s04 n LEU 26 Cb 0.00 -0.78 0.26 0.00 0.53 0.00 0.00 43.42 43.43 1s04 n LEU 26 CO 0.00 -1.18 0.49 -0.47 -1.11 0.00 0.00 177.39 175.12 1s04 s TYR 27 N 1.36 0.79 -0.04 1.96 5.04 -1.21 -4.90 117.35 120.35 1s04 s TYR 27 Ca 0.86 0.94 -0.18 0.00 -2.44 0.00 0.00 57.07 56.25 1s04 s TYR 27 Cb -1.21 -3.06 0.06 0.00 0.35 0.00 0.00 41.96 38.10 1s04 s TYR 27 CO 0.61 -4.19 0.80 -0.25 -1.34 0.00 0.00 175.55 171.18 1s04 n ASP 28 N -5.11 -0.66 0.01 4.32 8.00 -1.26 -4.94 116.55 116.91 1s04 n ASP 28 Ca 0.06 -1.07 -0.13 0.00 0.71 0.00 0.00 54.79 54.36 1s04 n ASP 28 Cb 0.56 1.01 -0.09 0.00 -0.02 0.00 0.00 41.12 42.58 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 -0.02 -0.52 -1.24 5.08 -1.96 0.59 114.58 116.51 1s04 h GLU 29 Ca -0.12 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 1s04 h GLU 29 Cb 0.71 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1s04 h GLU 29 CO 0.18 0.30 -0.09 0.87 -1.00 0.00 0.00 179.01 179.26 1s04 h LYS 30 N -0.33 0.95 0.25 2.33 1.57 -1.98 -0.58 116.57 118.77 1s04 h LYS 30 Ca -0.00 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 1s04 h LYS 30 Cb 0.32 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1s04 h LYS 30 CO 0.00 0.99 -0.12 0.00 -0.57 0.00 0.00 179.45 179.76 1s04 h ARG 31 N 0.85 -0.32 0.00 3.15 2.47 -1.90 -2.35 114.38 116.29 1s04 h ARG 31 Ca 0.14 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 1s04 h ARG 31 Cb 0.63 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.02 1s04 h ARG 31 CO 0.04 -0.04 0.00 0.07 0.56 0.00 0.00 179.97 180.60 1s04 h ARG 32 N -0.57 0.00 -0.42 0.04 0.11 0.25 -2.05 114.38 111.74 1s04 h ARG 32 Ca -0.03 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.97 1s04 h ARG 32 Cb 0.42 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.49 1s04 h ARG 32 CO 0.06 0.00 -0.03 0.37 0.10 0.00 0.00 179.97 180.47 1s04 h GLN 33 N 0.00 0.75 -6.29 0.08 5.75 -0.54 -3.41 115.11 111.46 1s04 h GLN 33 Ca 0.00 -0.26 -0.55 0.00 -0.15 0.00 0.00 58.65 57.69 1s04 h GLN 33 Cb 0.15 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 1s04 h GLN 33 CO 0.00 0.85 0.75 0.42 -2.65 0.00 0.00 178.83 178.19 1s04 s ILE 34 N -4.94 4.23 0.46 2.39 1.01 -0.77 -5.02 121.20 118.56 1s04 s ILE 34 Ca -0.13 1.55 0.06 0.00 0.00 0.00 0.00 60.65 62.12 1s04 s ILE 34 Cb 0.10 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 1s04 s ILE 34 CO 0.81 -0.03 0.16 -1.59 0.00 0.00 0.00 174.94 174.29 1s04 s LYS 35 N 2.47 2.19 -1.22 2.79 -2.85 -1.26 -5.00 119.74 116.85 1s04 s LYS 35 Ca 0.56 -2.03 -0.20 0.00 -1.00 0.00 0.00 55.97 53.30 1s04 s LYS 35 Cb -0.24 -1.86 -0.02 0.00 -2.06 0.00 0.00 37.83 33.65 1s04 s LYS 35 CO 0.21 -0.26 1.87 -0.35 0.10 0.00 0.00 175.35 176.92 1s04 n PRO 36 N -1.31 2.38 0.00 1.78 -0.04 -1.26 -3.81 135.00 132.73 1s04 n PRO 36 Ca -0.06 -2.78 0.00 0.00 -0.04 0.00 0.00 63.50 60.63 1s04 n PRO 36 Cb 0.65 -3.53 0.00 0.00 -0.04 0.00 0.00 33.50 30.58 1s04 n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s04 n GLY 37 N 5.38 -0.13 0.00 0.55 0.00 -1.25 -4.91 105.19 104.83 1s04 n GLY 37 Ca 0.48 0.05 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 0.00 -4.00 1.61 8.00 -1.25 -5.05 116.55 115.86 1s04 n ASP 38 Ca 0.00 -0.96 -0.10 0.00 0.71 0.00 0.00 54.79 54.45 1s04 n ASP 38 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 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 -2.78 0.19 -0.37 2.53 1.01 -1.26 -3.22 120.40 116.49 1s04 s VAL 39 Ca 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1s04 s VAL 39 Cb 0.00 -0.33 0.11 0.00 0.00 0.00 0.00 36.38 36.16 1s04 s VAL 39 CO 0.00 -0.48 0.13 -0.63 0.00 0.00 0.00 175.10 174.12 1s04 s ILE 40 N -1.47 1.64 -0.08 2.22 1.09 0.28 -2.20 121.20 122.69 1s04 s ILE 40 Ca -0.15 -2.17 -0.30 0.00 -1.10 0.00 0.00 60.65 56.94 1s04 s ILE 40 Cb -0.10 -2.20 -0.03 0.00 -1.06 0.00 0.00 42.46 39.08 1s04 s ILE 40 CO -0.01 -0.71 1.16 -0.94 -0.10 0.00 0.00 174.94 174.34 1s04 s SER 41 N 0.90 7.09 0.08 3.58 1.04 0.19 -2.68 113.70 123.90 1s04 s SER 41 Ca 0.13 1.74 0.01 0.00 0.48 0.00 0.00 55.95 58.30 1s04 s SER 41 Cb -0.20 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.32 1s04 s SER 41 CO -0.11 -0.57 0.20 -0.36 0.98 0.00 0.00 173.24 173.38 1s04 s PHE 42 N 2.28 3.46 -1.53 5.02 0.08 0.27 -1.99 117.98 125.58 1s04 s PHE 42 Ca 0.54 0.20 -0.05 0.00 0.12 0.00 0.00 56.93 57.74 1s04 s PHE 42 Cb -0.23 -1.72 0.04 0.00 -0.57 0.00 0.00 43.02 40.54 1s04 s PHE 42 CO 0.20 0.57 0.38 0.39 -0.10 0.00 0.00 175.22 176.66 1s04 n GLU 43 N 0.18 -2.46 0.00 0.44 -0.58 -0.73 -0.75 120.64 116.74 1s04 n GLU 43 Ca -0.06 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 1s04 n GLU 43 Cb 0.52 -4.37 0.00 0.00 -0.57 0.00 0.00 31.44 27.01 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 -2.00 1.75 0.59 0.62 0.00 -1.26 -3.07 105.19 101.82 1s04 n GLY 44 Ca -0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 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 0.07 0.18 -0.02 0.00 -0.65 -4.85 105.19 99.92 1s04 n GLY 45 Ca 0.00 0.00 -0.21 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 0.00 0.66 -3.67 1.61 3.11 -0.86 -3.44 116.57 113.99 1s04 h LYS 46 Ca -0.19 -0.80 -0.44 0.00 -2.81 0.00 0.00 60.65 56.40 1s04 h LYS 46 Cb 0.78 0.25 -0.38 0.00 -1.00 0.00 0.00 32.23 31.88 1s04 h LYS 46 CO -0.10 1.36 -0.77 -1.17 -2.81 0.00 0.00 179.45 175.97 1s04 s LEU 47 N -7.98 0.63 -0.06 5.20 1.98 -1.12 -4.99 118.68 112.33 1s04 s LEU 47 Ca -0.10 -0.16 -0.01 0.00 -2.89 0.00 0.00 54.13 50.97 1s04 s LEU 47 Cb 0.06 -0.45 -0.03 0.00 0.66 0.00 0.00 46.19 46.43 1s04 s LEU 47 CO 0.93 -0.21 0.01 -0.54 -1.89 0.00 0.00 176.35 174.65 1s04 s LYS 48 N 1.97 2.94 0.04 1.98 -0.14 -1.26 0.96 119.74 126.23 1s04 s LYS 48 Ca 0.04 -0.46 -0.03 0.00 -1.36 0.00 0.00 55.97 54.16 1s04 s LYS 48 Cb -0.13 -2.77 -0.02 0.00 -1.68 0.00 0.00 37.83 33.23 1s04 s LYS 48 CO -0.06 0.68 0.04 0.14 -0.76 0.00 0.00 175.35 175.39 1s04 s VAL 49 N -0.96 0.16 -0.08 3.17 -7.23 -1.09 -3.16 120.40 111.20 1s04 s VAL 49 Ca 0.15 -1.28 -0.01 0.00 -1.81 0.00 0.00 61.98 59.04 1s04 s VAL 49 Cb -0.11 -0.97 0.03 0.00 0.56 0.00 0.00 36.38 35.88 1s04 s VAL 49 CO 0.05 -0.71 -0.03 -0.60 -0.31 0.00 0.00 175.10 173.51 1s04 s ARG 50 N -2.82 0.91 0.38 4.82 3.52 -1.00 0.99 118.95 125.74 1s04 s ARG 50 Ca -0.03 -0.02 -0.26 0.00 -0.13 0.00 0.00 55.73 55.28 1s04 s ARG 50 Cb 0.00 -1.14 -0.11 0.00 -1.56 0.00 0.00 34.95 32.14 1s04 s ARG 50 CO -0.06 -0.26 1.18 0.28 -0.81 0.00 0.00 175.30 175.63 1s04 n VAL 51 N 4.96 2.30 -0.06 7.11 0.31 -1.20 -3.18 118.33 128.57 1s04 n VAL 51 Ca -0.11 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.64 1s04 n VAL 51 Cb 0.50 -1.41 -0.05 0.00 -0.91 0.00 0.00 33.84 31.97 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 0.29 0.28 -3.52 5.55 4.81 -0.57 -3.92 118.16 121.09 1s04 n LYS 52 Ca 0.07 0.07 -0.08 0.00 -0.87 0.00 0.00 58.31 57.50 1s04 n LYS 52 Cb 0.38 -1.18 -0.02 0.00 0.02 0.00 0.00 35.03 34.22 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 -2.23 -1.86 0.07 3.14 0.00 -1.25 -4.75 121.76 114.89 1s04 s ALA 53 Ca -0.15 1.11 0.07 0.00 0.00 0.00 0.00 51.96 52.99 1s04 s ALA 53 Cb 0.04 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 1s04 s ALA 53 CO 0.25 -0.66 -0.15 -1.50 0.00 0.00 0.00 175.76 173.71 1s04 s ILE 54 N -2.96 3.06 0.01 0.00 1.10 -1.26 -2.70 121.20 118.44 1s04 s ILE 54 Ca 0.05 -1.24 -0.15 0.00 -0.51 0.00 0.00 60.65 58.80 1s04 s ILE 54 Cb -0.01 -2.36 0.02 0.00 0.15 0.00 0.00 42.46 40.26 1s04 s ILE 54 CO -0.08 0.22 0.32 -0.13 -2.11 0.00 0.00 174.94 173.16 1s04 s ARG 55 N -1.83 0.74 -0.00 3.50 1.81 -1.21 -5.00 118.95 116.96 1s04 s ARG 55 Ca 0.18 -0.30 0.04 0.00 -1.72 0.00 0.00 55.73 53.93 1s04 s ARG 55 Cb -0.11 0.33 -0.01 0.00 -0.45 0.00 0.00 34.95 34.71 1s04 s ARG 55 CO 0.09 -0.22 -0.14 0.08 -0.68 0.00 0.00 175.30 174.43 1s04 s VAL 56 N -1.81 1.09 0.41 3.52 1.01 -1.26 -1.94 120.40 121.42 1s04 s VAL 56 Ca -0.10 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1s04 s VAL 56 Cb -0.03 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 1s04 s VAL 56 CO 0.01 0.26 0.08 -1.22 0.00 0.00 0.00 175.10 174.24 1s04 n TYR 57 N 2.61 0.48 -0.01 5.22 4.02 0.55 -4.92 117.16 125.11 1s04 n TYR 57 Ca -0.15 -2.35 -0.16 0.00 -0.01 0.00 0.00 57.90 55.23 1s04 n TYR 57 Cb 0.55 -0.12 -0.11 0.00 -0.02 0.00 0.00 39.34 39.64 1s04 n TYR 57 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 176.86 174.88 1s04 h ASN 58 N 1.34 0.39 -5.04 7.72 -0.73 -1.93 -3.33 115.58 114.00 1s04 h ASN 58 Ca -0.33 -0.77 0.01 0.00 1.87 0.00 0.00 56.30 57.08 1s04 h ASN 58 Cb 1.13 -0.12 -0.08 0.00 0.27 0.00 0.00 38.32 39.51 1s04 h ASN 58 CO 0.53 1.11 0.14 -0.55 -0.37 0.00 0.00 177.43 178.28 1s04 s SER 59 N -6.55 -0.32 0.37 1.15 0.15 -1.26 -4.46 113.70 102.77 1s04 s SER 59 Ca -0.14 -0.46 0.06 0.00 0.70 0.00 0.00 55.95 56.11 1s04 s SER 59 Cb 0.02 0.64 0.76 0.00 -1.71 0.00 0.00 66.02 65.73 1s04 s SER 59 CO 0.78 -1.16 1.96 -0.26 1.20 0.00 0.00 173.24 175.76 1s04 h PHE 60 N 2.08 0.75 -0.54 3.44 0.04 -1.93 -1.46 116.94 119.32 1s04 h PHE 60 Ca -0.26 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.58 1s04 h PHE 60 Cb 1.27 -0.25 -0.05 0.00 2.20 0.00 0.00 35.95 39.12 1s04 h PHE 60 CO 0.36 0.39 0.27 -0.09 -0.60 0.00 0.00 178.31 178.64 1s04 h ARG 61 N 0.73 0.51 -0.23 1.51 2.43 -1.96 0.68 114.38 118.06 1s04 h ARG 61 Ca 0.32 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.41 1s04 h ARG 61 Cb 0.29 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1s04 h ARG 61 CO -0.11 0.34 -0.05 0.93 -1.51 0.00 0.00 179.97 179.57 1s04 h GLU 62 N 0.53 0.35 -0.01 0.20 5.08 -1.69 0.68 114.58 119.72 1s04 h GLU 62 Ca 0.24 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1s04 h GLU 62 Cb 0.16 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1s04 h GLU 62 CO -0.17 0.42 -0.11 0.52 -1.00 0.00 0.00 179.01 178.66 1s04 h MET 63 N 0.33 0.09 0.00 2.33 2.86 -0.66 0.75 114.93 120.63 1s04 h MET 63 Ca 0.07 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 1s04 h MET 63 Cb 0.31 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1s04 h MET 63 CO 0.01 0.81 -0.36 -0.07 1.06 0.00 0.00 176.91 178.37 1s04 h LEU 64 N -0.61 0.00 -0.00 1.22 3.38 0.47 1.99 115.31 121.76 1s04 h LEU 64 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1s04 h LEU 64 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1s04 h LEU 64 CO 0.02 0.36 -0.05 -0.33 0.09 0.00 0.00 178.44 178.54 1s04 h GLU 65 N 0.00 0.04 0.00 1.13 4.39 0.35 0.28 114.58 120.77 1s04 h GLU 65 Ca -0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1s04 h GLU 65 Cb 0.68 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1s04 h GLU 65 CO 0.05 0.79 -0.09 -0.22 -1.16 0.00 0.00 179.01 178.38 1s04 h LYS 66 N -0.71 0.00 -0.06 2.33 3.64 -0.72 -3.39 116.57 117.65 1s04 h LYS 66 Ca -0.01 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1s04 h LYS 66 Cb 0.81 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.59 1s04 h LYS 66 CO 0.01 0.00 -0.18 1.49 -2.27 0.00 0.00 179.45 178.50 1s04 h GLU 67 N -0.51 -0.25 0.00 1.90 4.57 0.29 -3.48 114.58 117.11 1s04 h GLU 67 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1s04 h GLU 67 Cb 0.09 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1s04 h GLU 67 CO 0.00 -0.17 0.00 0.41 -1.18 0.00 0.00 179.01 178.07 1s04 n GLY 68 N -1.31 4.11 0.41 1.92 0.00 0.14 -4.79 105.19 105.67 1s04 n GLY 68 Ca -0.04 -1.02 -0.16 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.86 0.00 0.99 5.85 -0.74 -1.54 115.31 119.01 1s04 h LEU 69 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1s04 h LEU 69 Cb 0.00 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1s04 h LEU 69 CO 0.00 -0.51 0.00 -0.62 -0.34 0.00 0.00 178.44 176.97 1s04 n GLU 70 N -5.46 0.07 0.01 1.25 1.02 -1.26 0.21 120.64 116.48 1s04 n GLU 70 Ca -0.13 0.26 0.12 0.00 -0.02 0.00 0.00 57.16 57.38 1s04 n GLU 70 Cb 0.41 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.50 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 -1.41 0.59 0.00 1.62 4.13 -0.90 -3.92 115.26 115.38 1s04 n ASN 71 Ca 0.04 -0.29 0.00 0.00 1.68 0.00 0.00 54.58 56.00 1s04 n ASN 71 Cb 0.11 0.40 0.00 0.00 -1.54 0.00 0.00 39.78 38.75 1s04 n ASN 71 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1s04 n VAL 72 N -1.63 0.00 -3.79 2.41 0.31 0.20 0.76 118.33 116.59 1s04 n VAL 72 Ca 0.05 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.08 1s04 n VAL 72 Cb 0.36 -0.46 -0.13 0.00 -0.91 0.00 0.00 33.84 32.69 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 -4.83 3.30 -0.30 7.52 2.96 0.58 -4.72 118.68 123.19 1s04 s LEU 73 Ca 0.00 -2.84 -0.29 0.00 -0.22 0.00 0.00 54.13 50.78 1s04 s LEU 73 Cb 0.00 -1.25 -0.00 0.00 0.50 0.00 0.00 46.19 45.44 1s04 s LEU 73 CO 0.00 -0.24 1.35 -2.16 -1.32 0.00 0.00 176.35 173.98 1s04 s PRO 74 N 0.03 3.87 0.00 0.98 0.04 -1.25 -2.66 135.00 136.01 1s04 s PRO 74 Ca 0.18 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1s04 s PRO 74 Cb -0.23 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.40 1s04 s PRO 74 CO -0.01 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.26 1s04 n GLY 75 N 4.42 1.39 3.17 0.56 0.00 -1.26 -5.09 105.19 108.38 1s04 n GLY 75 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.08 0.00 0.07 1.61 3.14 -1.09 -4.87 118.33 117.10 1s04 n VAL 76 Ca 0.00 -0.50 -0.16 0.00 -2.96 0.00 0.00 64.34 60.72 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 -0.20 0.24 -1.75 1.45 1.57 -1.93 -3.49 116.57 112.45 1s04 h LYS 77 Ca -0.41 -0.41 0.25 0.00 -1.87 0.00 0.00 60.65 58.21 1s04 h LYS 77 Cb 1.41 0.15 -0.14 0.00 0.08 0.00 0.00 32.23 33.73 1s04 h LYS 77 CO 0.38 1.11 0.71 -1.12 -0.57 0.00 0.00 179.45 179.96 1s04 s SER 78 N -6.98 -0.15 0.27 0.86 0.01 -1.26 -4.97 113.70 101.48 1s04 s SER 78 Ca -0.08 -0.13 -0.01 0.00 1.31 0.00 0.00 55.95 57.04 1s04 s SER 78 Cb 0.07 0.25 0.51 0.00 0.21 0.00 0.00 66.02 67.06 1s04 s SER 78 CO 0.86 -0.45 1.80 0.40 0.41 0.00 0.00 173.24 176.26 1s04 h ILE 79 N 2.00 0.84 -0.35 1.44 2.04 -1.99 0.30 117.51 121.79 1s04 h ILE 79 Ca -0.22 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 1s04 h ILE 79 Cb 1.20 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1s04 h ILE 79 CO 0.27 0.14 0.22 -0.33 0.00 0.00 0.00 178.15 178.45 1s04 h GLU 80 N 0.79 0.48 -0.74 2.37 5.08 -2.01 -2.33 114.58 118.22 1s04 h GLU 80 Ca 0.46 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.73 1s04 h GLU 80 Cb 0.53 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1s04 h GLU 80 CO -0.30 0.34 0.26 0.93 -1.00 0.00 0.00 179.01 179.24 1s04 h GLU 81 N 0.47 1.12 -0.65 2.33 4.39 -1.46 -2.60 114.58 118.18 1s04 h GLU 81 Ca 0.13 -0.22 0.11 0.00 0.34 0.00 0.00 59.36 59.71 1s04 h GLU 81 Cb -0.01 -0.17 -0.08 0.00 -0.10 0.00 0.00 28.75 28.38 1s04 h GLU 81 CO -0.03 0.93 0.25 0.78 -1.16 0.00 0.00 179.01 179.79 1s04 h GLY 82 N 1.11 0.93 0.96 -3.84 0.00 0.02 -0.03 103.07 102.23 1s04 h GLY 82 Ca 0.24 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1s04 h GLY 82 CO -0.01 -0.04 0.21 -2.22 0.00 0.00 0.00 176.54 174.48 1s04 h ILE 83 N 0.42 1.18 -0.87 2.60 5.03 -1.11 -1.76 117.51 123.00 1s04 h ILE 83 Ca 0.34 -0.51 0.11 0.00 -0.12 0.00 0.00 64.86 64.68 1s04 h ILE 83 Cb 0.44 0.73 -0.06 0.00 -3.03 0.00 0.00 36.82 34.89 1s04 h ILE 83 CO -0.33 0.19 0.56 1.56 -0.68 0.00 0.00 178.15 179.45 1s04 h GLN 84 N 0.55 0.77 -0.04 2.37 1.08 -0.80 0.62 115.11 119.66 1s04 h GLN 84 Ca 0.15 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1s04 h GLN 84 Cb 0.12 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1s04 h GLN 84 CO -0.02 0.51 0.01 0.28 -0.95 0.00 0.00 178.83 178.66 1s04 h VAL 85 N 0.79 1.20 0.00 -0.54 2.07 -0.39 -0.36 116.25 119.03 1s04 h VAL 85 Ca 0.41 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1s04 h VAL 85 Cb 0.51 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1s04 h VAL 85 CO -0.18 0.17 -0.21 1.88 0.02 0.00 0.00 177.57 179.25 1s04 h TYR 86 N -0.17 0.00 0.00 1.57 0.05 -0.40 -1.99 116.97 116.03 1s04 h TYR 86 Ca 0.01 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.64 1s04 h TYR 86 Cb 0.26 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 1s04 h TYR 86 CO 0.01 0.21 -0.72 -0.09 -1.05 0.00 0.00 178.16 176.52 1s04 h ARG 87 N 0.00 0.00 -0.14 4.88 1.12 0.57 1.61 114.38 122.42 1s04 h ARG 87 Ca -0.00 0.00 -0.22 0.00 -1.11 0.00 0.00 59.98 58.65 1s04 h ARG 87 Cb 0.50 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.47 1s04 h ARG 87 CO 0.03 0.72 -0.79 0.00 -3.11 0.00 0.00 179.97 176.82 1s04 h ARG 88 N 0.00 0.73 0.00 0.20 3.08 -0.34 -3.37 114.38 114.67 1s04 h ARG 88 Ca -0.01 -0.61 -0.25 0.00 0.07 0.00 0.00 59.98 59.19 1s04 h ARG 88 Cb 1.35 0.13 -0.04 0.00 0.08 0.00 0.00 29.97 31.50 1s04 h ARG 88 CO 0.09 1.22 -1.46 1.19 -1.07 0.00 0.00 179.97 179.94 1s04 n PHE 89 N -3.91 0.71 -3.48 3.04 3.72 -0.94 -4.88 117.46 111.71 1s04 n PHE 89 Ca -0.07 0.31 -0.38 0.00 -0.05 0.00 0.00 57.45 57.26 1s04 n PHE 89 Cb 0.75 -1.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.20 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 -2.41 3.30 0.54 1.38 2.02 0.55 -5.05 117.35 117.67 1s04 s TYR 90 Ca -0.29 0.38 -0.21 0.00 -0.37 0.00 0.00 57.07 56.58 1s04 s TYR 90 Cb 0.07 -2.46 -0.07 0.00 -0.40 0.00 0.00 41.96 39.11 1s04 s TYR 90 CO 0.51 -0.08 1.05 -0.25 -1.57 0.00 0.00 175.55 175.20 1s04 n ASP 91 N 4.79 1.27 0.14 2.29 8.00 -1.26 -3.59 116.55 128.18 1s04 n ASP 91 Ca -0.11 0.90 -0.01 0.00 0.71 0.00 0.00 54.79 56.28 1s04 n ASP 91 Cb 0.51 -1.41 0.17 0.00 -0.02 0.00 0.00 41.12 40.37 1s04 n ASP 91 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1s04 h GLU 92 N 0.98 0.01 0.08 -1.24 4.81 -1.89 -1.45 114.58 115.87 1s04 h GLU 92 Ca -0.48 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1s04 h GLU 92 Cb 1.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.73 1s04 h GLU 92 CO 0.54 0.62 -0.04 1.49 -0.73 0.00 0.00 179.01 180.88 1s04 h GLU 93 N 0.01 -0.11 -0.93 1.92 4.81 -1.97 0.15 114.58 118.46 1s04 h GLU 93 Ca -0.01 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1s04 h GLU 93 Cb 1.08 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.44 1s04 h GLU 93 CO 0.08 0.39 0.62 0.87 -0.73 0.00 0.00 179.01 180.23 1s04 h LYS 94 N -0.67 1.22 0.25 1.92 1.57 -1.94 0.79 116.57 119.71 1s04 h LYS 94 Ca -0.01 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1s04 h LYS 94 Cb 0.54 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1s04 h LYS 94 CO 0.02 0.81 -0.12 1.49 -0.57 0.00 0.00 179.45 181.08 1s04 h GLU 95 N 1.26 -0.32 0.00 3.15 4.22 -1.27 -2.15 114.58 119.47 1s04 h GLU 95 Ca 0.34 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.80 1s04 h GLU 95 Cb -0.14 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1s04 h GLU 95 CO -0.07 -0.04 0.00 0.87 -2.18 0.00 0.00 179.01 177.58 1s04 h LYS 96 N -0.59 0.00 0.59 1.92 1.57 -0.41 1.58 116.57 121.23 1s04 h LYS 96 Ca -0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1s04 h LYS 96 Cb 0.43 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.74 1s04 h LYS 96 CO 0.06 0.00 -0.28 0.87 -0.57 0.00 0.00 179.45 179.52 1s04 h LYS 97 N 0.00 -0.77 0.00 3.15 1.79 0.11 -3.41 116.57 117.44 1s04 h LYS 97 Ca 0.00 0.05 -0.22 0.00 -2.18 0.00 0.00 60.65 58.30 1s04 h LYS 97 Cb 0.27 0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 31.06 1s04 h LYS 97 CO 0.00 -0.48 -1.73 0.66 -1.08 0.00 0.00 179.45 176.82 1s04 n TYR 98 N -5.31 0.00 0.00 -1.35 4.01 -0.85 -5.08 117.16 108.58 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 0.33 -0.73 0.00 0.00 -0.31 0.00 0.00 39.34 38.63 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 1.40 0.65 3.78 2.72 0.00 0.54 -4.96 105.19 109.32 1s04 n GLY 99 Ca -0.33 -2.19 -0.24 0.00 0.00 0.00 0.00 46.02 43.26 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 -0.73 4.28 -0.21 1.61 1.01 -1.25 -3.33 120.40 121.78 1s04 s VAL 100 Ca 0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 61.98 60.58 1s04 s VAL 100 Cb 0.00 -3.26 0.07 0.00 0.00 0.00 0.00 36.38 33.19 1s04 s VAL 100 CO 0.00 -0.26 0.08 0.68 0.00 0.00 0.00 175.10 175.60 1s04 s VAL 101 N -2.00 0.19 -0.77 2.92 -7.23 -1.24 -0.33 120.40 111.94 1s04 s VAL 101 Ca 0.32 -0.49 -0.26 0.00 -1.81 0.00 0.00 61.98 59.74 1s04 s VAL 101 Cb -0.08 -0.87 0.02 0.00 0.56 0.00 0.00 36.38 36.00 1s04 s VAL 101 CO 0.23 -0.36 1.41 0.00 -0.31 0.00 0.00 175.10 176.07 1s04 s ALA 102 N 2.00 2.63 -0.26 1.32 0.00 -0.82 -2.98 121.76 123.65 1s04 s ALA 102 Ca 0.03 -1.41 -0.11 0.00 0.00 0.00 0.00 51.96 50.46 1s04 s ALA 102 Cb -0.16 -4.32 -0.05 0.00 0.00 0.00 0.00 23.12 18.59 1s04 s ALA 102 CO -0.15 -3.48 0.20 0.96 0.00 0.00 0.00 175.76 173.29 1s04 s ILE 103 N 6.24 5.32 -0.33 0.00 -4.36 -0.77 -3.33 121.20 123.97 1s04 s ILE 103 Ca 0.42 0.23 -0.29 0.00 -0.26 0.00 0.00 60.65 60.75 1s04 s ILE 103 Cb -0.07 -3.54 0.01 0.00 1.25 0.00 0.00 42.46 40.11 1s04 s ILE 103 CO 0.11 0.29 1.27 -0.70 0.24 0.00 0.00 174.94 176.15 1s04 s GLU 104 N 1.42 3.89 0.02 0.37 2.12 -1.10 -2.66 118.70 122.77 1s04 s GLU 104 Ca 0.08 1.14 0.03 0.00 0.36 0.00 0.00 54.97 56.58 1s04 s GLU 104 Cb -0.15 -3.88 -0.04 0.00 0.26 0.00 0.00 34.13 30.33 1s04 s GLU 104 CO 0.08 -1.15 -0.01 0.96 -0.54 0.00 0.00 175.26 174.59 1s04 s ILE 105 N 4.38 4.01 -0.22 -3.70 -5.25 -1.26 -1.51 121.20 117.65 1s04 s ILE 105 Ca 0.55 -0.73 -0.05 0.00 -0.99 0.00 0.00 60.65 59.43 1s04 s ILE 105 Cb -0.15 -2.81 0.08 0.00 2.95 0.00 0.00 42.46 42.53 1s04 s ILE 105 CO 0.24 0.32 0.11 -1.83 -1.79 0.00 0.00 174.94 171.98 1s04 s GLU 106 N -1.70 0.11 -0.28 0.37 -1.05 -1.19 -4.31 118.70 110.66 1s04 s GLU 106 Ca 0.20 -0.26 -0.29 0.00 -0.15 0.00 0.00 54.97 54.47 1s04 s GLU 106 Cb -0.11 -1.55 -0.00 0.00 -0.44 0.00 0.00 34.13 32.02 1s04 s GLU 106 CO 0.11 -0.81 1.34 -1.25 0.95 0.00 0.00 175.26 175.60 1s04 s PRO 107 N 2.12 3.93 -0.91 -4.83 0.04 -1.26 -2.37 135.00 131.72 1s04 s PRO 107 Ca 0.05 1.34 -0.06 0.00 0.04 0.00 0.00 61.00 62.37 1s04 s PRO 107 Cb -0.16 -3.89 -0.08 0.00 0.04 0.00 0.00 34.50 30.41 1s04 s PRO 107 CO -0.21 -1.11 2.35 1.28 0.04 0.00 0.00 177.00 179.36 1s04 n LEU 108 N 7.64 5.46 -0.01 -3.56 4.77 -1.19 -3.64 117.00 126.47 1s04 n LEU 108 Ca 0.15 -3.08 0.01 0.00 -0.03 0.00 0.00 56.01 53.06 1s04 n LEU 108 Cb 0.46 -1.16 -0.01 0.00 -2.33 0.00 0.00 43.42 40.38 1s04 n LEU 108 CO 0.63 0.96 0.01 1.21 -1.33 0.00 0.00 177.39 178.87 1s04 n GLU 109 N 3.84 5.81 -0.48 3.23 4.07 -1.26 -4.97 120.64 130.87 1s04 n GLU 109 Ca 0.49 -0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.55 1s04 n GLU 109 Cb 0.22 -0.64 0.00 0.00 -0.06 0.00 0.00 31.44 30.97 1s04 n GLU 109 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05