#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1id3 s HIS 39 N 0.00 3.66 -0.24 0.54 2.46 -1.26 -5.09 115.29 115.36 1id3 s HIS 39 Ca 0.00 0.76 -0.15 0.00 0.47 0.00 0.00 55.06 56.13 1id3 s HIS 39 Cb 0.00 -2.11 0.07 0.00 -0.13 0.00 0.00 32.58 30.41 1id3 s HIS 39 CO 0.00 0.68 0.61 0.50 -2.47 0.00 0.00 174.74 174.06 1id3 s ARG 40 N -1.15 0.63 0.31 2.88 3.52 -1.26 -5.17 118.95 118.72 1id3 s ARG 40 Ca 0.21 1.06 -0.26 0.00 -0.13 0.00 0.00 55.73 56.61 1id3 s ARG 40 Cb -0.14 0.14 -0.10 0.00 -1.56 0.00 0.00 34.95 33.29 1id3 s ARG 40 CO 0.10 -0.14 0.92 0.71 -0.81 0.00 0.00 175.30 176.08 1id3 s TYR 41 N 1.35 3.71 0.57 5.12 1.51 -1.26 -5.03 117.35 123.33 1id3 s TYR 41 Ca -0.08 1.76 -0.21 0.00 -1.01 0.00 0.00 57.07 57.53 1id3 s TYR 41 Cb -0.06 -2.90 -0.05 0.00 -0.11 0.00 0.00 41.96 38.85 1id3 s TYR 41 CO -0.15 0.24 1.25 1.63 -1.11 0.00 0.00 175.55 177.41 1id3 n LYS 42 N 0.64 1.41 -1.68 -0.62 4.76 -1.26 -4.81 118.16 116.60 1id3 n LYS 42 Ca 0.01 0.53 -0.49 0.00 -2.87 0.00 0.00 58.31 55.49 1id3 n LYS 42 Cb 0.50 -2.45 -0.05 0.00 -1.84 0.00 0.00 35.03 31.19 1id3 n LYS 42 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1id3 n PRO 43 N -1.09 2.11 -0.48 1.97 -0.02 -1.26 -2.04 135.00 134.19 1id3 n PRO 43 Ca 0.12 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1id3 n PRO 43 Cb 0.45 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1id3 n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1id3 n GLY 44 N 4.41 0.78 0.06 -1.23 0.00 -1.26 -4.97 105.19 102.97 1id3 n GLY 44 Ca 0.23 -0.48 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 1id3 n GLY 44 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1id3 n THR 45 N -2.43 0.80 0.16 2.61 -1.04 -0.87 -4.10 114.28 109.42 1id3 n THR 45 Ca 0.00 -0.67 0.10 0.00 -2.04 0.00 0.00 64.05 61.44 1id3 n THR 45 Cb 0.02 -0.30 0.08 0.00 -1.82 0.00 0.00 70.33 68.31 1id3 n THR 45 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1id3 h VAL 46 N 0.00 0.09 0.25 12.58 2.07 -1.94 -3.14 116.25 126.17 1id3 h VAL 46 Ca -0.32 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 1id3 h VAL 46 Cb 1.70 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 33.29 1id3 h VAL 46 CO 0.02 0.05 -0.24 0.00 0.02 0.00 0.00 177.57 177.42 1id3 h ALA 47 N 1.93 -0.96 -0.55 1.67 0.00 -1.94 0.11 119.26 119.52 1id3 h ALA 47 Ca -0.01 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1id3 h ALA 47 Cb 1.06 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 19.27 1id3 h ALA 47 CO 0.01 -0.97 0.29 -0.07 0.00 0.00 0.00 179.25 178.51 1id3 h LEU 48 N -0.49 0.42 -0.83 0.00 4.07 -1.74 0.53 115.31 117.27 1id3 h LEU 48 Ca -0.03 0.03 0.20 0.00 0.08 0.00 0.00 57.88 58.15 1id3 h LEU 48 Cb 0.42 -0.05 -0.12 0.00 1.08 0.00 0.00 40.66 41.99 1id3 h LEU 48 CO -0.02 0.28 0.28 -0.09 -1.08 0.00 0.00 178.44 177.81 1id3 h ARG 49 N 0.55 0.30 -0.34 1.13 2.43 -1.46 0.54 114.38 117.54 1id3 h ARG 49 Ca 0.24 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.24 1id3 h ARG 49 Cb 0.14 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1id3 h ARG 49 CO -0.16 0.20 -0.39 0.93 -1.51 0.00 0.00 179.97 179.04 1id3 h GLU 50 N 0.31 0.87 0.63 0.20 5.08 0.20 0.19 114.58 122.06 1id3 h GLU 50 Ca 0.50 -0.48 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1id3 h GLU 50 Cb 0.93 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 1id3 h GLU 50 CO -0.55 1.12 -0.40 0.82 -1.00 0.00 0.00 179.01 179.00 1id3 h ILE 51 N 0.66 0.00 -0.92 3.13 2.04 0.32 0.33 117.51 123.06 1id3 h ILE 51 Ca 0.05 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.07 1id3 h ILE 51 Cb 0.99 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.97 1id3 h ILE 51 CO 0.09 0.00 0.52 0.03 0.00 0.00 0.00 178.15 178.79 1id3 h ARG 52 N -0.97 0.68 -0.37 2.37 3.08 -0.12 0.07 114.38 119.12 1id3 h ARG 52 Ca -0.08 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1id3 h ARG 52 Cb 0.78 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1id3 h ARG 52 CO 0.08 0.45 0.20 -0.09 -1.07 0.00 0.00 179.97 179.54 1id3 h ARG 53 N 0.70 0.51 0.00 0.04 2.43 -0.19 -3.09 114.38 114.79 1id3 h ARG 53 Ca 0.51 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.57 1id3 h ARG 53 Cb 0.74 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1id3 h ARG 53 CO -0.37 0.43 -0.25 0.74 -1.51 0.00 0.00 179.97 179.01 1id3 h PHE 54 N 0.46 0.00 0.00 2.20 -1.00 0.14 -3.19 116.94 115.55 1id3 h PHE 54 Ca 0.13 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.86 1id3 h PHE 54 Cb 0.07 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 1id3 h PHE 54 CO -0.02 0.25 -0.24 1.96 -1.61 0.00 0.00 178.31 178.64 1id3 h GLN 55 N 0.00 0.00 -0.09 1.51 4.20 -1.06 -3.11 115.11 116.57 1id3 h GLN 55 Ca -0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.55 1id3 h GLN 55 Cb 1.15 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 1id3 h GLN 55 CO 0.03 0.24 -0.61 0.87 -0.67 0.00 0.00 178.83 178.69 1id3 h LYS 56 N 0.00 0.31 -7.18 1.46 1.57 -1.53 -3.45 116.57 107.74 1id3 h LYS 56 Ca -0.00 -0.21 -0.46 0.00 -1.87 0.00 0.00 60.65 58.11 1id3 h LYS 56 Cb 1.07 0.03 0.09 0.00 0.08 0.00 0.00 32.23 33.50 1id3 h LYS 56 CO 0.03 0.82 0.14 -1.54 -0.57 0.00 0.00 179.45 178.34 1id3 s SER 57 N -6.91 4.37 0.00 0.86 1.04 -1.18 -5.03 113.70 106.86 1id3 s SER 57 Ca -0.05 -0.15 0.05 0.00 0.48 0.00 0.00 55.95 56.28 1id3 s SER 57 Cb 0.12 -0.29 0.08 0.00 0.10 0.00 0.00 66.02 66.03 1id3 s SER 57 CO 0.81 -1.84 0.95 0.35 0.98 0.00 0.00 173.24 174.48 1id3 n THR 58 N -2.89 0.00 -2.35 2.02 -2.24 -1.26 -4.99 114.28 102.56 1id3 n THR 58 Ca 0.13 -0.18 -0.35 0.00 -2.27 0.00 0.00 64.05 61.38 1id3 n THR 58 Cb 0.60 0.50 -0.01 0.00 -2.10 0.00 0.00 70.33 69.32 1id3 n THR 58 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1id3 s GLU 59 N 0.00 3.63 0.56 -0.78 -1.05 -1.26 -4.99 118.70 114.80 1id3 s GLU 59 Ca 0.06 1.58 -0.19 0.00 -0.15 0.00 0.00 54.97 56.27 1id3 s GLU 59 Cb 0.07 -2.17 -0.05 0.00 -0.44 0.00 0.00 34.13 31.54 1id3 s GLU 59 CO -0.03 -0.62 1.16 -0.51 0.95 0.00 0.00 175.26 176.21 1id3 s LEU 60 N -3.44 3.72 -0.00 1.83 1.43 -1.26 -4.96 118.68 116.00 1id3 s LEU 60 Ca 0.68 2.25 0.14 0.00 -1.03 0.00 0.00 54.13 56.17 1id3 s LEU 60 Cb -0.23 -4.58 -0.17 0.00 0.03 0.00 0.00 46.19 41.24 1id3 s LEU 60 CO 0.27 -1.34 0.55 0.18 0.23 0.00 0.00 176.35 176.24 1id3 n LEU 61 N -1.39 0.56 -4.78 1.79 4.77 -1.26 -4.93 117.00 111.75 1id3 n LEU 61 Ca 0.12 -0.42 -0.36 0.00 -0.03 0.00 0.00 56.01 55.33 1id3 n LEU 61 Cb 0.50 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.52 1id3 n LEU 61 CO 0.43 0.14 -0.12 -0.63 -1.33 0.00 0.00 177.39 175.88 1id3 s ILE 62 N -2.45 5.39 0.37 -0.08 1.01 -1.26 -5.04 121.20 119.15 1id3 s ILE 62 Ca 0.04 0.32 -0.27 0.00 0.00 0.00 0.00 60.65 60.73 1id3 s ILE 62 Cb 0.10 -3.50 -0.11 0.00 0.01 0.00 0.00 42.46 38.96 1id3 s ILE 62 CO 0.59 0.50 1.28 0.54 0.00 0.00 0.00 174.94 177.84 1id3 n ARG 63 N 2.92 2.04 -0.03 2.79 3.00 -1.26 -4.92 116.66 121.20 1id3 n ARG 63 Ca -0.16 0.72 -0.13 0.00 -0.01 0.00 0.00 57.85 58.27 1id3 n ARG 63 Cb 0.53 -2.34 -0.08 0.00 0.00 0.00 0.00 32.46 30.56 1id3 n ARG 63 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1id3 h LYS 64 N 2.36 0.14 0.33 5.56 1.57 -1.99 -3.11 116.57 121.44 1id3 h LYS 64 Ca -0.47 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1id3 h LYS 64 Cb 1.29 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.57 1id3 h LYS 64 CO 0.61 0.51 -0.40 1.25 -0.57 0.00 0.00 179.45 180.85 1id3 h LEU 65 N -0.24 -1.12 -0.58 2.94 5.85 -1.98 0.42 115.31 120.60 1id3 h LEU 65 Ca 0.02 0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.94 1id3 h LEU 65 Cb 0.47 0.39 -0.11 0.00 0.37 0.00 0.00 40.66 41.77 1id3 h LEU 65 CO 0.01 -0.53 -0.30 -0.65 -0.34 0.00 0.00 178.44 176.62 1id3 h PRO 66 N -0.78 -0.14 -0.06 5.25 0.11 -1.97 0.26 132.00 134.68 1id3 h PRO 66 Ca -0.02 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.13 1id3 h PRO 66 Cb 0.72 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.83 1id3 h PRO 66 CO -0.11 -0.09 -0.11 0.35 -0.21 0.00 0.00 178.00 177.83 1id3 h PHE 67 N -0.14 -0.27 -0.42 0.65 3.57 -1.39 -1.74 116.94 117.19 1id3 h PHE 67 Ca 0.24 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.84 1id3 h PHE 67 Cb 0.54 0.13 -0.09 0.00 2.79 0.00 0.00 35.95 39.32 1id3 h PHE 67 CO -0.61 -0.16 -0.19 0.37 -2.23 0.00 0.00 178.31 175.49 1id3 h GLN 68 N -0.16 -0.10 0.18 1.11 4.15 0.19 0.12 115.11 120.59 1id3 h GLN 68 Ca 0.06 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1id3 h GLN 68 Cb 0.24 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 1id3 h GLN 68 CO -0.15 -0.07 -0.38 0.00 -1.93 0.00 0.00 178.83 176.30 1id3 h ARG 69 N -0.10 -0.59 -0.77 1.69 3.08 -0.05 -2.10 114.38 115.54 1id3 h ARG 69 Ca 0.20 0.04 0.17 0.00 0.07 0.00 0.00 59.98 60.47 1id3 h ARG 69 Cb 0.42 0.13 -0.14 0.00 0.08 0.00 0.00 29.97 30.46 1id3 h ARG 69 CO -0.49 -0.39 -0.04 1.25 -1.07 0.00 0.00 179.97 179.23 1id3 h LEU 70 N -0.61 -0.44 -0.89 3.04 5.85 -0.81 0.55 115.31 121.99 1id3 h LEU 70 Ca -0.02 0.21 0.11 0.00 0.84 0.00 0.00 57.88 59.02 1id3 h LEU 70 Cb 0.58 0.38 -0.08 0.00 0.37 0.00 0.00 40.66 41.92 1id3 h LEU 70 CO -0.16 -0.21 0.52 0.58 -0.34 0.00 0.00 178.44 178.83 1id3 h VAL 71 N 0.07 0.90 -0.07 1.05 2.07 -0.64 0.24 116.25 119.86 1id3 h VAL 71 Ca 0.41 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.58 1id3 h VAL 71 Cb 0.72 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1id3 h VAL 71 CO -0.71 0.15 -0.22 0.03 0.02 0.00 0.00 177.57 176.85 1id3 h ARG 72 N 0.84 0.27 -0.59 1.57 3.08 0.32 -1.51 114.38 118.37 1id3 h ARG 72 Ca 0.44 -0.20 0.11 0.00 0.07 0.00 0.00 59.98 60.40 1id3 h ARG 72 Cb 0.43 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.42 1id3 h ARG 72 CO -0.26 0.82 0.08 1.49 -1.07 0.00 0.00 179.97 181.03 1id3 h GLU 73 N -0.22 0.20 -0.52 0.04 4.81 0.51 -1.22 114.58 118.18 1id3 h GLU 73 Ca -0.01 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1id3 h GLU 73 Cb 0.84 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1id3 h GLU 73 CO 0.05 0.13 0.07 0.82 -0.73 0.00 0.00 179.01 179.35 1id3 h ILE 74 N 0.21 1.25 0.00 2.32 2.04 -0.47 -2.96 117.51 119.90 1id3 h ILE 74 Ca 0.31 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 1id3 h ILE 74 Cb 0.47 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1id3 h ILE 74 CO -0.43 0.35 -0.14 0.00 0.00 0.00 0.00 178.15 177.93 1id3 h ALA 75 N 0.97 1.10 -0.80 1.87 0.00 -0.30 -3.03 119.26 119.07 1id3 h ALA 75 Ca 0.16 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.05 1id3 h ALA 75 Cb 0.43 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 1id3 h ALA 75 CO 0.01 0.17 0.43 0.37 0.00 0.00 0.00 179.25 180.24 1id3 h GLN 76 N 0.00 0.67 0.00 0.00 5.75 -1.08 0.16 115.11 120.61 1id3 h GLN 76 Ca -0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1id3 h GLN 76 Cb 0.52 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.92 1id3 h GLN 76 CO 0.02 0.45 0.00 -0.25 -2.65 0.00 0.00 178.83 176.39 1id3 n ASP 77 N -4.81 0.13 -0.08 -0.69 10.43 -1.14 -2.50 116.55 117.89 1id3 n ASP 77 Ca 0.14 0.56 -0.11 0.00 2.57 0.00 0.00 54.79 57.95 1id3 n ASP 77 Cb 0.32 -0.58 -0.08 0.00 1.84 0.00 0.00 41.12 42.62 1id3 n ASP 77 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1id3 n PHE 78 N -1.67 0.00 -3.64 1.24 3.01 0.46 -5.02 117.46 111.84 1id3 n PHE 78 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.36 1id3 n PHE 78 Cb 0.04 -0.66 -0.07 0.00 -0.01 0.00 0.00 39.48 38.78 1id3 n PHE 78 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1id3 s LYS 79 N -2.34 0.75 0.48 -1.08 2.20 -0.60 -5.16 119.74 114.00 1id3 s LYS 79 Ca -0.20 1.08 -0.04 0.00 -0.36 0.00 0.00 55.97 56.45 1id3 s LYS 79 Cb 0.06 0.27 -0.02 0.00 -1.51 0.00 0.00 37.83 36.63 1id3 s LYS 79 CO 0.42 -0.12 0.76 0.95 -0.36 0.00 0.00 175.35 177.00 1id3 s THR 80 N 0.97 4.52 -1.25 3.43 -4.23 -1.25 -4.12 115.64 113.71 1id3 s THR 80 Ca -0.05 -0.05 -0.06 0.00 -1.18 0.00 0.00 61.69 60.36 1id3 s THR 80 Cb -0.05 -3.72 -0.01 0.00 1.34 0.00 0.00 72.50 70.07 1id3 s THR 80 CO -0.09 -0.65 0.72 0.47 -0.54 0.00 0.00 174.62 174.53 1id3 n ASP 81 N -2.24 -2.72 -4.63 3.99 10.43 -1.26 -4.96 116.55 115.16 1id3 n ASP 81 Ca 0.01 -0.88 -0.35 0.00 2.57 0.00 0.00 54.79 56.14 1id3 n ASP 81 Cb 0.56 -3.90 -0.10 0.00 1.84 0.00 0.00 41.12 39.52 1id3 n ASP 81 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1id3 s LEU 82 N -6.51 3.65 -0.11 0.64 1.43 -1.26 -5.10 118.68 111.41 1id3 s LEU 82 Ca 0.17 0.07 -0.08 0.00 -1.03 0.00 0.00 54.13 53.26 1id3 s LEU 82 Cb -0.05 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1id3 s LEU 82 CO 0.83 0.24 0.17 -0.13 0.23 0.00 0.00 176.35 177.68 1id3 s ARG 83 N -0.05 3.50 -0.22 1.70 0.52 -1.26 -5.10 118.95 118.03 1id3 s ARG 83 Ca 0.05 -0.08 -0.02 0.00 -0.52 0.00 0.00 55.73 55.15 1id3 s ARG 83 Cb -0.12 -3.20 0.01 0.00 0.52 0.00 0.00 34.95 32.16 1id3 s ARG 83 CO 0.02 0.76 -0.07 -0.06 0.02 0.00 0.00 175.30 175.97 1id3 s PHE 84 N -1.01 2.97 0.63 -0.53 2.99 -1.26 -5.11 117.98 116.66 1id3 s PHE 84 Ca 0.16 -1.26 -0.18 0.00 0.00 0.00 0.00 56.93 55.66 1id3 s PHE 84 Cb -0.12 -2.06 -0.04 0.00 0.00 0.00 0.00 43.02 40.79 1id3 s PHE 84 CO 0.05 -0.65 0.88 1.04 -0.00 0.00 0.00 175.22 176.54 1id3 n GLN 85 N 4.73 0.73 0.23 0.44 6.02 -1.26 -4.89 117.38 123.38 1id3 n GLN 85 Ca -0.18 0.29 -0.11 0.00 -0.01 0.00 0.00 57.00 57.00 1id3 n GLN 85 Cb 0.49 -2.10 -0.05 0.00 1.02 0.00 0.00 30.24 29.60 1id3 n GLN 85 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1id3 h SER 86 N 0.25 -0.69 -1.12 1.08 0.87 -2.00 -2.65 113.55 109.29 1id3 h SER 86 Ca -0.48 0.04 0.33 0.00 -1.23 0.00 0.00 61.79 60.45 1id3 h SER 86 Cb 1.36 0.20 -0.11 0.00 -0.44 0.00 0.00 62.40 63.41 1id3 h SER 86 CO 0.49 -0.41 0.70 0.77 -0.53 0.00 0.00 176.83 177.86 1id3 h SER 87 N -0.65 0.41 -0.12 6.23 4.64 -1.98 0.55 113.55 122.63 1id3 h SER 87 Ca -0.06 0.12 0.02 0.00 -0.47 0.00 0.00 61.79 61.41 1id3 h SER 87 Cb 0.52 0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1id3 h SER 87 CO 0.05 -0.03 0.08 0.00 -0.87 0.00 0.00 176.83 176.06 1id3 h ALA 88 N 1.66 2.05 0.00 5.18 0.00 -1.82 1.01 119.26 127.33 1id3 h ALA 88 Ca 0.69 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.44 1id3 h ALA 88 Cb 1.85 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 1id3 h ALA 88 CO -0.39 -0.07 -1.04 0.82 0.00 0.00 0.00 179.25 178.56 1id3 h ILE 89 N 0.05 0.77 -0.02 0.00 2.04 0.17 -3.10 117.51 117.43 1id3 h ILE 89 Ca 0.05 -2.25 -0.00 0.00 1.00 0.00 0.00 64.86 63.66 1id3 h ILE 89 Cb 0.15 2.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1id3 h ILE 89 CO -0.00 0.44 -0.00 1.23 0.00 0.00 0.00 178.15 179.81 1id3 h GLY 90 N 3.55 0.03 0.06 5.37 0.00 0.10 -2.30 103.07 109.89 1id3 h GLY 90 Ca -0.09 -0.03 0.15 0.00 0.00 0.00 0.00 47.33 47.36 1id3 h GLY 90 CO 0.06 0.02 0.24 0.00 0.00 0.00 0.00 176.54 176.87 1id3 h ALA 91 N 0.67 0.99 0.45 3.60 0.00 0.70 -0.99 119.26 124.69 1id3 h ALA 91 Ca 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1id3 h ALA 91 Cb 0.34 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1id3 h ALA 91 CO 0.00 -0.27 -0.22 -0.07 0.00 0.00 0.00 179.25 178.69 1id3 h LEU 92 N 0.36 -0.52 -0.37 0.00 3.38 -1.45 -0.93 115.31 115.79 1id3 h LEU 92 Ca 0.41 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.36 1id3 h LEU 92 Cb 0.65 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1id3 h LEU 92 CO -0.44 -0.27 0.18 -0.61 0.09 0.00 0.00 178.44 177.39 1id3 h GLN 93 N -0.74 0.36 -0.00 1.13 4.15 -1.11 0.80 115.11 119.70 1id3 h GLN 93 Ca -0.06 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.37 1id3 h GLN 93 Cb 0.53 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.09 1id3 h GLN 93 CO 0.10 0.24 -0.35 0.93 -1.93 0.00 0.00 178.83 177.82 1id3 h GLU 94 N 0.37 -0.48 -0.18 1.69 4.39 -1.17 0.19 114.58 119.39 1id3 h GLU 94 Ca 0.15 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.85 1id3 h GLU 94 Cb 0.06 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1id3 h GLU 94 CO -0.11 -0.32 -0.02 0.66 -1.16 0.00 0.00 179.01 178.06 1id3 h SER 95 N -0.50 0.33 -0.27 1.42 4.64 -0.76 -0.81 113.55 117.59 1id3 h SER 95 Ca 0.06 -0.34 0.05 0.00 -0.47 0.00 0.00 61.79 61.08 1id3 h SER 95 Cb 0.59 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 62.55 1id3 h SER 95 CO -0.28 0.59 -0.00 1.62 -0.87 0.00 0.00 176.83 177.89 1id3 h VAL 96 N 0.05 0.80 0.22 0.95 3.04 0.87 0.26 116.25 122.45 1id3 h VAL 96 Ca 0.05 -0.03 -0.00 0.00 -1.01 0.00 0.00 66.70 65.71 1id3 h VAL 96 Cb 0.44 0.71 -0.01 0.00 -2.01 0.00 0.00 31.29 30.42 1id3 h VAL 96 CO 0.01 0.01 -0.17 -0.33 -1.01 0.00 0.00 177.57 176.09 1id3 h GLU 97 N 0.08 -0.38 -0.75 4.17 5.08 -0.61 0.43 114.58 122.61 1id3 h GLU 97 Ca 0.13 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.68 1id3 h GLU 97 Cb 0.17 0.09 -0.13 0.00 0.50 0.00 0.00 28.75 29.38 1id3 h GLU 97 CO -0.22 -0.25 -0.01 0.00 -1.00 0.00 0.00 179.01 177.52 1id3 h ALA 98 N 0.36 0.75 0.12 3.43 0.00 -0.60 0.25 119.26 123.56 1id3 h ALA 98 Ca -0.01 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1id3 h ALA 98 Cb 0.35 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1id3 h ALA 98 CO -0.01 -0.42 -0.08 -0.92 0.00 0.00 0.00 179.25 177.82 1id3 h TYR 99 N 0.09 -0.21 -0.91 0.00 3.20 -0.25 -0.14 116.97 118.74 1id3 h TYR 99 Ca 0.40 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.29 1id3 h TYR 99 Cb 0.70 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 39.00 1id3 h TYR 99 CO -0.43 -0.13 0.60 -0.07 -1.64 0.00 0.00 178.16 176.49 1id3 h LEU 100 N -0.20 1.03 -0.21 2.82 3.38 0.12 -0.09 115.31 122.15 1id3 h LEU 100 Ca -0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1id3 h LEU 100 Cb 0.18 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1id3 h LEU 100 CO 0.01 0.73 0.08 0.58 0.09 0.00 0.00 178.44 179.93 1id3 h VAL 101 N 1.21 1.17 -0.88 1.22 2.07 -0.38 -0.97 116.25 119.69 1id3 h VAL 101 Ca 0.35 -0.51 0.08 0.00 0.82 0.00 0.00 66.70 67.43 1id3 h VAL 101 Cb -0.09 1.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 1id3 h VAL 101 CO -0.09 0.17 0.53 -1.28 0.02 0.00 0.00 177.57 176.92 1id3 h SER 102 N 0.19 0.81 -0.12 0.57 0.87 -0.40 -1.59 113.55 113.89 1id3 h SER 102 Ca 0.07 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.55 1id3 h SER 102 Cb 0.18 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1id3 h SER 102 CO -0.01 0.49 -0.26 0.25 -0.53 0.00 0.00 176.83 176.77 1id3 h LEU 103 N 0.94 0.58 -1.24 2.23 5.85 -0.72 -2.92 115.31 120.02 1id3 h LEU 103 Ca 0.40 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 1id3 h LEU 103 Cb 0.27 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1id3 h LEU 103 CO -0.21 0.83 -0.14 -0.26 -0.34 0.00 0.00 178.44 178.32 1id3 h PHE 104 N 0.50 0.37 0.17 1.25 0.05 -0.19 0.52 116.94 119.60 1id3 h PHE 104 Ca 0.07 -0.05 -0.01 0.00 3.82 0.00 0.00 57.97 61.80 1id3 h PHE 104 Cb 0.72 -0.10 0.00 0.00 2.00 0.00 0.00 35.95 38.57 1id3 h PHE 104 CO 0.03 0.49 -0.08 0.93 -0.18 0.00 0.00 178.31 179.49 1id3 h GLU 105 N 0.32 -0.22 -0.77 1.51 5.08 -1.27 -0.46 114.58 118.77 1id3 h GLU 105 Ca 0.06 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 1id3 h GLU 105 Cb 0.45 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.68 1id3 h GLU 105 CO 0.03 0.03 0.42 -0.44 -1.00 0.00 0.00 179.01 178.05 1id3 h ASP 106 N -0.44 0.60 -0.50 1.42 3.32 -1.35 -0.99 116.42 118.49 1id3 h ASP 106 Ca -0.02 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.09 1id3 h ASP 106 Cb 0.34 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1id3 h ASP 106 CO 0.04 0.35 0.31 0.74 -1.72 0.00 0.00 179.24 178.95 1id3 h THR 107 N 0.72 1.07 -0.66 0.35 2.02 -0.70 0.37 112.91 116.08 1id3 h THR 107 Ca 0.37 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 1id3 h THR 107 Cb 0.33 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1id3 h THR 107 CO -0.24 0.11 0.36 -1.13 0.37 0.00 0.00 175.52 174.99 1id3 h ASN 108 N 0.62 0.82 -0.95 4.18 -1.24 -0.22 -0.58 115.58 118.20 1id3 h ASN 108 Ca 0.20 -0.10 0.01 0.00 0.71 0.00 0.00 56.30 57.12 1id3 h ASN 108 Cb -0.01 -0.21 -0.05 0.00 0.73 0.00 0.00 38.32 38.78 1id3 h ASN 108 CO -0.08 0.68 0.63 -0.07 -1.29 0.00 0.00 177.43 177.31 1id3 h LEU 109 N 0.90 1.09 -0.45 0.34 3.38 -0.52 0.70 115.31 120.75 1id3 h LEU 109 Ca 0.23 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.22 1id3 h LEU 109 Cb 0.04 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 1id3 h LEU 109 CO -0.04 0.79 0.21 0.00 0.09 0.00 0.00 178.44 179.49 1id3 h ALA 110 N 1.35 0.56 -0.55 1.53 0.00 0.35 -1.27 119.26 121.23 1id3 h ALA 110 Ca 0.35 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 1id3 h ALA 110 Cb -0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1id3 h ALA 110 CO -0.08 -0.16 0.12 0.00 0.00 0.00 0.00 179.25 179.13 1id3 h ALA 111 N 1.26 0.73 0.00 0.00 0.00 0.13 -1.66 119.26 119.71 1id3 h ALA 111 Ca 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1id3 h ALA 111 Cb 0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1id3 h ALA 111 CO -0.17 0.45 -0.03 0.82 0.00 0.00 0.00 179.25 180.32 1id3 h ILE 112 N 0.79 0.13 0.00 0.00 2.04 -0.46 -0.70 117.51 119.30 1id3 h ILE 112 Ca 0.17 -0.36 -0.12 0.00 1.00 0.00 0.00 64.86 65.56 1id3 h ILE 112 Cb 0.37 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1id3 h ILE 112 CO 0.01 0.03 -0.55 -0.74 0.00 0.00 0.00 178.15 176.90 1id3 h HIS 113 N 0.00 0.00 -0.39 1.37 2.76 -0.27 -2.43 115.15 116.20 1id3 h HIS 113 Ca -0.00 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1id3 h HIS 113 Cb 0.31 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.25 1id3 h HIS 113 CO 0.00 0.55 0.03 0.00 -1.30 0.00 0.00 177.93 177.21 1id3 n ALA 114 N -2.35 3.47 -3.50 5.26 0.00 -0.34 -4.87 120.51 118.18 1id3 n ALA 114 Ca -0.00 -1.26 -0.26 0.00 0.00 0.00 0.00 53.44 51.92 1id3 n ALA 114 Cb 0.61 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 18.97 1id3 n ALA 114 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1id3 n LYS 115 N 0.32 -4.11 -4.67 0.00 5.02 -0.91 -4.95 118.16 108.85 1id3 n LYS 115 Ca 0.19 0.56 -0.30 0.00 -2.02 0.00 0.00 58.31 56.74 1id3 n LYS 115 Cb 0.88 -5.34 -0.09 0.00 -0.02 0.00 0.00 35.03 30.47 1id3 n LYS 115 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1id3 s ARG 116 N -6.17 2.07 0.00 1.97 0.52 -0.77 -5.03 118.95 111.54 1id3 s ARG 116 Ca 0.47 -2.27 0.00 0.00 -0.52 0.00 0.00 55.73 53.41 1id3 s ARG 116 Cb -0.24 -1.38 0.00 0.00 0.52 0.00 0.00 34.95 33.84 1id3 s ARG 116 CO 0.58 -0.29 0.56 1.33 0.02 0.00 0.00 175.30 177.50 1id3 n VAL 117 N -1.11 0.14 -4.70 3.52 0.24 -1.26 -3.58 118.33 111.58 1id3 n VAL 117 Ca -0.13 -0.14 -0.33 0.00 -2.04 0.00 0.00 64.34 61.70 1id3 n VAL 117 Cb 0.67 0.94 -0.15 0.00 -1.47 0.00 0.00 33.84 33.83 1id3 n VAL 117 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1id3 s THR 118 N -0.14 2.68 -0.23 3.34 2.01 -1.26 -5.03 115.64 117.01 1id3 s THR 118 Ca 0.00 -0.78 -0.29 0.00 0.31 0.00 0.00 61.69 60.93 1id3 s THR 118 Cb 0.00 -2.11 0.01 0.00 0.01 0.00 0.00 72.50 70.40 1id3 s THR 118 CO 0.00 0.52 1.09 0.27 -0.69 0.00 0.00 174.62 175.81 1id3 s ILE 119 N 0.62 4.57 0.46 1.82 -4.36 -1.26 -4.87 121.20 118.18 1id3 s ILE 119 Ca -0.09 1.89 0.08 0.00 -0.26 0.00 0.00 60.65 62.27 1id3 s ILE 119 Cb -0.16 -4.27 0.01 0.00 1.25 0.00 0.00 42.46 39.30 1id3 s ILE 119 CO 0.03 -0.22 0.52 -1.10 0.24 0.00 0.00 174.94 174.41 1id3 s GLN 120 N 3.34 2.58 0.20 0.37 -0.21 -1.26 -4.97 119.66 119.71 1id3 s GLN 120 Ca 0.46 -1.49 -0.10 0.00 0.02 0.00 0.00 55.36 54.26 1id3 s GLN 120 Cb -0.16 -2.54 0.21 0.00 1.00 0.00 0.00 33.01 31.52 1id3 s GLN 120 CO 0.09 -0.37 1.80 -0.22 -2.12 0.00 0.00 175.29 174.47 1id3 h LYS 121 N 0.71 0.62 0.00 2.91 3.64 -2.01 0.17 116.57 122.62 1id3 h LYS 121 Ca -0.38 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1id3 h LYS 121 Cb 1.28 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1id3 h LYS 121 CO 0.50 0.41 0.23 1.57 -2.27 0.00 0.00 179.45 179.89 1id3 h LYS 122 N 0.64 0.00 0.13 1.90 2.10 -1.99 -2.08 116.57 117.27 1id3 h LYS 122 Ca 0.28 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.92 1id3 h LYS 122 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1id3 h LYS 122 CO -0.17 0.00 -0.06 0.93 -2.00 0.00 0.00 179.45 178.14 1id3 h GLU 123 N 0.00 -0.17 -0.91 0.07 4.39 -1.01 -2.70 114.58 114.25 1id3 h GLU 123 Ca 0.00 0.01 0.25 0.00 0.34 0.00 0.00 59.36 59.96 1id3 h GLU 123 Cb 0.45 0.04 -0.16 0.00 -0.10 0.00 0.00 28.75 28.99 1id3 h GLU 123 CO 0.00 -0.12 0.15 0.82 -1.16 0.00 0.00 179.01 178.70 1id3 h ILE 124 N -0.60 0.19 -0.25 3.13 2.04 -1.42 0.74 117.51 121.35 1id3 h ILE 124 Ca -0.02 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 65.86 1id3 h ILE 124 Cb 0.14 0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 36.23 1id3 h ILE 124 CO 0.03 0.02 -0.14 0.50 0.00 0.00 0.00 178.15 178.56 1id3 h LYS 125 N 0.11 -0.11 -0.33 2.37 1.63 -1.44 0.03 116.57 118.82 1id3 h LYS 125 Ca 0.57 0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 60.26 1id3 h LYS 125 Cb 1.17 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 1id3 h LYS 125 CO -0.76 -0.08 -0.25 1.25 -3.45 0.00 0.00 179.45 176.16 1id3 h LEU 126 N -0.12 0.80 -0.91 5.20 5.85 -0.72 -1.15 115.31 124.26 1id3 h LEU 126 Ca 0.14 -0.44 0.16 0.00 0.84 0.00 0.00 57.88 58.57 1id3 h LEU 126 Cb 0.32 -0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.03 1id3 h LEU 126 CO -0.32 1.07 0.50 0.00 -0.34 0.00 0.00 178.44 179.35 1id3 h ALA 127 N 0.75 1.41 0.00 1.25 0.00 -0.38 0.75 119.26 123.04 1id3 h ALA 127 Ca 0.06 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1id3 h ALA 127 Cb 0.82 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.57 1id3 h ALA 127 CO 0.07 -0.06 -0.49 0.00 0.00 0.00 0.00 179.25 178.76 1id3 h ARG 128 N 0.68 0.33 -0.80 0.00 3.08 -0.86 -3.20 114.38 113.61 1id3 h ARG 128 Ca 0.50 -0.36 0.11 0.00 0.07 0.00 0.00 59.98 60.30 1id3 h ARG 128 Cb 0.72 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.82 1id3 h ARG 128 CO -0.37 1.05 0.52 -0.09 -1.07 0.00 0.00 179.97 180.02 1id3 h ARG 129 N -0.23 0.66 -2.16 0.04 1.12 -0.32 -1.12 114.38 112.36 1id3 h ARG 129 Ca -0.06 -0.04 -0.61 0.00 -1.11 0.00 0.00 59.98 58.16 1id3 h ARG 129 Cb 1.22 -0.15 -0.18 0.00 -0.01 0.00 0.00 29.97 30.85 1id3 h ARG 129 CO 0.10 0.44 1.00 1.28 -3.11 0.00 0.00 179.97 179.68 1id3 n LEU 130 N -4.51 7.05 0.00 3.80 4.77 0.17 -3.28 117.00 125.00 1id3 n LEU 130 Ca 0.14 -4.45 0.00 0.00 -0.03 0.00 0.00 56.01 51.67 1id3 n LEU 130 Cb 0.38 -1.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 1id3 n LEU 130 CO 0.32 1.84 0.00 0.54 -1.33 0.00 0.00 177.39 178.75 1id3 n ARG 131 N 0.83 0.00 0.00 3.23 1.74 -0.45 -4.95 116.66 117.05 1id3 n ARG 131 Ca 0.53 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.61 1id3 n ARG 131 Cb 0.42 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.86 1id3 n ARG 131 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1id3 n GLY 132 N 0.00 2.91 3.51 -0.13 0.00 -1.05 -5.00 105.19 105.42 1id3 n GLY 132 Ca 0.00 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 1id3 n GLY 132 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1id3 n GLU 133 N 0.00 0.12 0.00 1.61 1.02 -1.23 -4.97 120.64 117.19 1id3 n GLU 133 Ca 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1id3 n GLU 133 Cb 0.00 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 1id3 n GLU 133 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85