#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 3.18 -0.04 6.00 2.46 -1.26 -5.10 115.29 120.53 1id3 s HIS 39 Ca 0.00 0.08 -0.01 0.00 0.47 0.00 0.00 55.06 55.60 1id3 s HIS 39 Cb 0.00 -1.90 0.03 0.00 -0.13 0.00 0.00 32.58 30.58 1id3 s HIS 39 CO 0.00 0.30 0.02 1.03 -2.47 0.00 0.00 174.74 173.62 1id3 s ARG 40 N -0.33 0.26 -0.14 2.88 1.81 -1.26 -5.12 118.95 117.04 1id3 s ARG 40 Ca 0.07 0.16 -0.20 0.00 -1.72 0.00 0.00 55.73 54.04 1id3 s ARG 40 Cb -0.12 -0.59 -0.03 0.00 -0.45 0.00 0.00 34.95 33.76 1id3 s ARG 40 CO 0.02 -0.22 0.59 0.71 -0.68 0.00 0.00 175.30 175.72 1id3 s TYR 41 N 1.52 3.46 0.30 -0.53 1.51 -1.26 -5.01 117.35 117.35 1id3 s TYR 41 Ca -0.03 0.98 -0.28 0.00 -1.01 0.00 0.00 57.07 56.74 1id3 s TYR 41 Cb -0.13 -2.72 -0.14 0.00 -0.11 0.00 0.00 41.96 38.86 1id3 s TYR 41 CO -0.03 -0.01 1.01 1.63 -1.11 0.00 0.00 175.55 177.05 1id3 n LYS 42 N 4.32 1.36 -1.69 -0.62 5.02 -1.26 -4.80 118.16 120.50 1id3 n LYS 42 Ca -0.03 0.48 -0.44 0.00 -2.02 0.00 0.00 58.31 56.30 1id3 n LYS 42 Cb 0.51 -1.86 -0.02 0.00 -0.02 0.00 0.00 35.03 33.64 1id3 n LYS 42 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1id3 n PRO 43 N 0.69 2.15 -0.03 1.97 -0.04 -1.26 -1.99 135.00 136.49 1id3 n PRO 43 Ca 0.09 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 1id3 n PRO 43 Cb 0.32 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1id3 n PRO 43 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1id3 n GLY 44 N 1.72 0.37 0.12 0.55 0.00 -1.26 -4.93 105.19 101.76 1id3 n GLY 44 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1id3 n GLY 44 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1id3 h THR 45 N 0.00 1.05 -0.03 2.61 2.02 -1.72 -2.97 112.91 113.86 1id3 h THR 45 Ca 0.00 -2.41 -0.16 0.00 0.77 0.00 0.00 66.41 64.61 1id3 h THR 45 Cb 0.00 2.73 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 1id3 h THR 45 CO 0.00 0.71 -0.71 0.58 0.37 0.00 0.00 175.52 176.47 1id3 h VAL 46 N -0.30 1.44 -0.32 3.16 2.07 -1.91 -2.07 116.25 118.33 1id3 h VAL 46 Ca -0.30 -2.26 0.06 0.00 0.82 0.00 0.00 66.70 65.03 1id3 h VAL 46 Cb 1.76 2.20 -0.06 0.00 -1.52 0.00 0.00 31.29 33.68 1id3 h VAL 46 CO 0.06 0.66 -0.04 0.00 0.02 0.00 0.00 177.57 178.27 1id3 h ALA 47 N 1.14 0.25 0.00 1.67 0.00 -1.94 0.50 119.26 120.88 1id3 h ALA 47 Ca -0.02 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1id3 h ALA 47 Cb 1.26 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1id3 h ALA 47 CO 0.11 -0.44 -0.20 -0.07 0.00 0.00 0.00 179.25 178.65 1id3 h LEU 48 N 0.04 0.00 -0.80 0.00 3.38 -1.37 -0.15 115.31 116.42 1id3 h LEU 48 Ca 0.15 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1id3 h LEU 48 Cb 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1id3 h LEU 48 CO -0.29 0.20 0.21 -0.09 0.09 0.00 0.00 178.44 178.55 1id3 h ARG 49 N 0.00 1.11 -0.20 1.13 2.43 0.53 -1.87 114.38 117.51 1id3 h ARG 49 Ca -0.00 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 58.91 1id3 h ARG 49 Cb 0.36 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1id3 h ARG 49 CO 0.03 0.95 0.06 0.93 -1.51 0.00 0.00 179.97 180.43 1id3 h GLU 50 N 1.06 0.32 0.60 0.20 5.08 0.11 -0.52 114.58 121.44 1id3 h GLU 50 Ca 0.23 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1id3 h GLU 50 Cb 0.32 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1id3 h GLU 50 CO -0.01 0.43 -0.47 0.82 -1.00 0.00 0.00 179.01 178.79 1id3 h ILE 51 N 0.15 0.07 -0.88 3.13 2.04 -0.94 0.85 117.51 121.93 1id3 h ILE 51 Ca 0.06 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.10 1id3 h ILE 51 Cb 0.25 0.07 -0.10 0.00 -0.74 0.00 0.00 36.82 36.29 1id3 h ILE 51 CO -0.00 0.00 0.44 0.03 0.00 0.00 0.00 178.15 178.62 1id3 h ARG 52 N -1.04 0.55 0.70 2.37 3.08 -1.35 -1.89 114.38 116.81 1id3 h ARG 52 Ca -0.07 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1id3 h ARG 52 Cb 0.87 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 1id3 h ARG 52 CO 0.01 0.37 -0.46 -0.09 -1.07 0.00 0.00 179.97 178.72 1id3 h ARG 53 N 0.57 -1.06 0.00 0.04 2.43 -0.18 -3.02 114.38 113.16 1id3 h ARG 53 Ca 0.51 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.75 1id3 h ARG 53 Cb 0.81 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1id3 h ARG 53 CO -0.41 -0.71 0.00 0.74 -1.51 0.00 0.00 179.97 178.08 1id3 h PHE 54 N -1.10 0.00 0.00 2.20 -1.00 -0.48 -2.37 116.94 114.19 1id3 h PHE 54 Ca -0.09 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.69 1id3 h PHE 54 Cb 0.90 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.46 1id3 h PHE 54 CO -0.13 0.00 -0.26 1.04 -1.61 0.00 0.00 178.31 177.35 1id3 n GLN 55 N -2.75 0.22 0.03 1.51 6.02 -0.75 -3.36 117.38 118.31 1id3 n GLN 55 Ca 0.02 0.13 -0.05 0.00 -0.01 0.00 0.00 57.00 57.08 1id3 n GLN 55 Cb 0.30 -1.71 -0.11 0.00 1.02 0.00 0.00 30.24 29.75 1id3 n GLN 55 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1id3 h LYS 56 N 0.00 0.00 -6.84 -1.09 3.64 -1.30 -3.47 116.57 107.51 1id3 h LYS 56 Ca 0.00 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.91 1id3 h LYS 56 Cb 0.70 0.00 0.05 0.00 -0.41 0.00 0.00 32.23 32.57 1id3 h LYS 56 CO 0.00 0.57 -0.02 -1.54 -2.27 0.00 0.00 179.45 176.19 1id3 s SER 57 N -6.21 4.81 0.00 4.20 1.04 -1.16 -5.07 113.70 111.31 1id3 s SER 57 Ca -0.02 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1id3 s SER 57 Cb 0.09 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1id3 s SER 57 CO 0.81 -1.53 0.60 0.35 0.98 0.00 0.00 173.24 174.45 1id3 n THR 58 N -2.48 0.00 -2.51 2.02 -2.24 -1.26 -4.95 114.28 102.86 1id3 n THR 58 Ca 0.15 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.57 1id3 n THR 58 Cb 0.61 0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 69.54 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 3.95 0.97 -0.78 4.04 -1.26 -4.99 118.70 120.63 1id3 s GLU 59 Ca 0.00 1.47 -0.13 0.00 0.04 0.00 0.00 54.97 56.35 1id3 s GLU 59 Cb 0.00 -2.32 0.06 0.00 0.02 0.00 0.00 34.13 31.90 1id3 s GLU 59 CO 0.00 -0.33 0.46 1.28 -1.84 0.00 0.00 175.26 174.83 1id3 n LEU 60 N -0.54 -0.10 0.00 1.83 4.32 -1.26 -4.96 117.00 116.29 1id3 n LEU 60 Ca 0.07 0.28 0.00 0.00 -0.02 0.00 0.00 56.01 56.34 1id3 n LEU 60 Cb 0.51 -1.21 0.00 0.00 -1.62 0.00 0.00 43.42 41.10 1id3 n LEU 60 CO 0.43 -3.41 0.13 0.18 -1.22 0.00 0.00 177.39 173.50 1id3 n LEU 61 N -1.77 0.53 -4.81 2.23 4.77 -1.26 -5.00 117.00 111.70 1id3 n LEU 61 Ca 0.06 -0.73 -0.34 0.00 -0.03 0.00 0.00 56.01 54.98 1id3 n LEU 61 Cb 0.54 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.57 1id3 n LEU 61 CO 0.51 0.13 -0.23 -0.63 -1.33 0.00 0.00 177.39 175.85 1id3 s ILE 62 N -0.38 4.94 0.22 -0.08 1.01 -1.26 -5.06 121.20 120.59 1id3 s ILE 62 Ca 0.00 -0.25 -0.31 0.00 0.00 0.00 0.00 60.65 60.09 1id3 s ILE 62 Cb 0.00 -3.24 -0.11 0.00 0.01 0.00 0.00 42.46 39.12 1id3 s ILE 62 CO 0.00 0.41 1.62 -0.13 0.00 0.00 0.00 174.94 176.85 1id3 s ARG 63 N -1.58 4.16 0.08 2.79 0.52 -1.26 -4.93 118.95 118.73 1id3 s ARG 63 Ca 0.22 2.50 -0.27 0.00 -0.52 0.00 0.00 55.73 57.66 1id3 s ARG 63 Cb -0.12 -3.09 -0.11 0.00 0.52 0.00 0.00 34.95 32.14 1id3 s ARG 63 CO 0.12 -0.66 1.43 0.87 0.02 0.00 0.00 175.30 177.09 1id3 h LYS 64 N 6.24 -0.56 0.41 3.54 1.79 -1.99 -2.48 116.57 123.52 1id3 h LYS 64 Ca -0.44 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.06 1id3 h LYS 64 Cb 1.21 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.96 1id3 h LYS 64 CO 0.90 -0.38 -0.39 1.25 -1.08 0.00 0.00 179.45 179.75 1id3 h LEU 65 N -0.58 -1.06 -0.95 2.94 7.12 -1.98 0.20 115.31 120.99 1id3 h LEU 65 Ca -0.00 0.09 0.27 0.00 0.13 0.00 0.00 57.88 58.36 1id3 h LEU 65 Cb 0.59 0.35 -0.14 0.00 -0.53 0.00 0.00 40.66 40.93 1id3 h LEU 65 CO -0.23 -0.55 0.46 -0.65 -0.13 0.00 0.00 178.44 177.34 1id3 h PRO 66 N -0.82 0.35 0.08 5.25 0.11 -1.97 0.66 132.00 135.66 1id3 h PRO 66 Ca -0.04 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 1id3 h PRO 66 Cb 0.72 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1id3 h PRO 66 CO -0.05 0.23 -0.04 0.35 -0.21 0.00 0.00 178.00 178.28 1id3 h PHE 67 N 0.36 -0.10 -0.51 0.65 3.57 -0.89 -1.55 116.94 118.47 1id3 h PHE 67 Ca 0.64 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 62.23 1id3 h PHE 67 Cb 1.33 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 40.02 1id3 h PHE 67 CO -0.10 0.20 -0.01 0.37 -2.23 0.00 0.00 178.31 176.54 1id3 h GLN 68 N -0.41 0.10 -0.18 1.11 4.15 0.29 -0.37 115.11 119.79 1id3 h GLN 68 Ca -0.01 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.43 1id3 h GLN 68 Cb 0.35 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.96 1id3 h GLN 68 CO 0.02 0.07 -0.48 -0.09 -1.93 0.00 0.00 178.83 176.42 1id3 h ARG 69 N 0.10 -0.45 -0.64 1.69 2.43 0.31 -0.35 114.38 117.47 1id3 h ARG 69 Ca 0.25 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.58 1id3 h ARG 69 Cb 0.39 0.10 -0.12 0.00 -0.42 0.00 0.00 29.97 29.92 1id3 h ARG 69 CO -0.43 -0.30 -0.21 1.25 -1.51 0.00 0.00 179.97 178.77 1id3 h LEU 70 N -0.47 -0.75 0.14 3.80 5.85 -0.16 0.31 115.31 124.03 1id3 h LEU 70 Ca 0.04 0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.98 1id3 h LEU 70 Cb 0.57 0.45 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 1id3 h LEU 70 CO -0.42 -0.24 -0.32 0.58 -0.34 0.00 0.00 178.44 177.70 1id3 h VAL 71 N -0.04 0.32 -0.52 1.05 2.07 -0.25 0.99 116.25 119.87 1id3 h VAL 71 Ca 0.30 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.92 1id3 h VAL 71 Cb 0.50 0.32 -0.10 0.00 -1.52 0.00 0.00 31.29 30.49 1id3 h VAL 71 CO -0.68 0.00 -0.15 0.03 0.02 0.00 0.00 177.57 176.79 1id3 h ARG 72 N -0.55 -0.02 0.28 1.57 2.47 0.14 0.13 114.38 118.40 1id3 h ARG 72 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1id3 h ARG 72 Cb 0.58 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.88 1id3 h ARG 72 CO -0.18 -0.01 -0.32 1.49 0.56 0.00 0.00 179.97 181.51 1id3 h GLU 73 N -0.02 -0.62 -0.66 0.04 4.81 -0.42 0.35 114.58 118.05 1id3 h GLU 73 Ca 0.25 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.64 1id3 h GLU 73 Cb 0.40 0.14 -0.09 0.00 0.63 0.00 0.00 28.75 29.83 1id3 h GLU 73 CO -0.54 -0.42 0.21 0.82 -0.73 0.00 0.00 179.01 178.35 1id3 h ILE 74 N -0.65 0.67 -0.45 2.32 1.08 0.33 -2.40 117.51 118.41 1id3 h ILE 74 Ca -0.01 -0.12 -0.06 0.00 -0.39 0.00 0.00 64.86 64.28 1id3 h ILE 74 Cb 0.61 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 1id3 h ILE 74 CO -0.09 0.07 0.03 0.00 -0.69 0.00 0.00 178.15 177.47 1id3 h ALA 75 N 1.50 0.60 -1.00 1.87 0.00 -0.33 -2.99 119.26 118.90 1id3 h ALA 75 Ca 0.35 -0.25 0.35 0.00 0.00 0.00 0.00 54.91 55.36 1id3 h ALA 75 Cb 0.51 -0.17 -0.16 0.00 0.00 0.00 0.00 17.79 17.98 1id3 h ALA 75 CO -0.39 0.36 0.55 0.37 0.00 0.00 0.00 179.25 180.14 1id3 h GLN 76 N 0.62 0.22 0.00 0.00 4.15 -0.40 1.21 115.11 120.91 1id3 h GLN 76 Ca 0.13 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1id3 h GLN 76 Cb 0.44 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.08 1id3 h GLN 76 CO 0.02 0.15 0.00 -0.25 -1.93 0.00 0.00 178.83 176.81 1id3 n ASP 77 N -5.12 0.00 0.02 -0.69 9.92 -1.13 -3.70 116.55 115.85 1id3 n ASP 77 Ca 0.33 -0.39 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 1id3 n ASP 77 Cb 1.06 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.54 1id3 n ASP 77 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1id3 n PHE 78 N -0.87 -0.11 -4.51 1.24 0.99 0.41 -5.06 117.46 109.55 1id3 n PHE 78 Ca 0.05 0.02 -0.26 0.00 -0.00 0.00 0.00 57.45 57.26 1id3 n PHE 78 Cb 0.02 0.06 -0.17 0.00 -1.00 0.00 0.00 39.48 38.40 1id3 n PHE 78 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1id3 s LYS 79 N -1.36 1.87 0.45 -1.08 2.20 -0.92 -5.13 119.74 115.78 1id3 s LYS 79 Ca 0.00 -0.45 -0.16 0.00 -0.36 0.00 0.00 55.97 55.00 1id3 s LYS 79 Cb 0.00 -1.59 -0.08 0.00 -1.51 0.00 0.00 37.83 34.65 1id3 s LYS 79 CO 0.00 -0.02 0.90 0.95 -0.36 0.00 0.00 175.35 176.83 1id3 s THR 80 N 0.84 4.57 -1.20 3.43 -4.23 -1.26 -4.18 115.64 113.62 1id3 s THR 80 Ca -0.11 1.11 -0.02 0.00 -1.18 0.00 0.00 61.69 61.50 1id3 s THR 80 Cb -0.15 -3.69 -0.01 0.00 1.34 0.00 0.00 72.50 69.99 1id3 s THR 80 CO 0.01 -0.52 0.90 0.47 -0.54 0.00 0.00 174.62 174.94 1id3 n ASP 81 N -1.19 -2.66 -4.56 3.99 9.92 -1.26 -4.98 116.55 115.81 1id3 n ASP 81 Ca 0.05 -0.70 -0.35 0.00 -0.53 0.00 0.00 54.79 53.26 1id3 n ASP 81 Cb 0.54 -4.79 -0.11 0.00 -0.64 0.00 0.00 41.12 36.12 1id3 n ASP 81 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1id3 s LEU 82 N -6.29 3.66 -0.10 0.64 1.43 -1.26 -5.08 118.68 111.67 1id3 s LEU 82 Ca 0.09 -0.04 -0.18 0.00 -1.03 0.00 0.00 54.13 52.97 1id3 s LEU 82 Cb -0.02 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1id3 s LEU 82 CO 0.76 0.09 0.49 -0.13 0.23 0.00 0.00 176.35 177.79 1id3 s ARG 83 N 0.89 4.33 -0.25 1.70 0.52 -1.26 -5.06 118.95 119.82 1id3 s ARG 83 Ca 0.04 0.49 -0.08 0.00 -0.52 0.00 0.00 55.73 55.65 1id3 s ARG 83 Cb -0.14 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 31.87 1id3 s ARG 83 CO 0.03 0.18 0.10 -0.06 0.02 0.00 0.00 175.30 175.57 1id3 s PHE 84 N 0.52 3.14 0.64 -0.53 0.40 -1.26 -5.07 117.98 115.82 1id3 s PHE 84 Ca 0.27 -0.21 -0.17 0.00 -0.60 0.00 0.00 56.93 56.21 1id3 s PHE 84 Cb -0.15 -2.26 -0.04 0.00 0.51 0.00 0.00 43.02 41.08 1id3 s PHE 84 CO 0.11 -0.24 0.88 0.94 0.70 0.00 0.00 175.22 177.61 1id3 n GLN 85 N 4.78 0.71 0.17 0.44 7.27 -1.26 -4.89 117.38 124.60 1id3 n GLN 85 Ca -0.16 0.29 -0.11 0.00 0.07 0.00 0.00 57.00 57.09 1id3 n GLN 85 Cb 0.52 -2.11 -0.06 0.00 2.41 0.00 0.00 30.24 31.00 1id3 n GLN 85 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1id3 h SER 86 N 0.20 -0.83 -0.61 1.69 0.87 -2.03 -2.89 113.55 109.95 1id3 h SER 86 Ca -0.48 0.07 0.18 0.00 -1.23 0.00 0.00 61.79 60.33 1id3 h SER 86 Cb 1.36 0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 63.57 1id3 h SER 86 CO 0.49 -0.39 0.57 0.77 -0.53 0.00 0.00 176.83 177.73 1id3 h SER 87 N -0.59 0.00 0.05 6.23 4.64 -2.00 0.44 113.55 122.32 1id3 h SER 87 Ca -0.04 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1id3 h SER 87 Cb 0.52 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1id3 h SER 87 CO -0.04 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 175.89 1id3 h ALA 88 N 1.44 1.65 -0.05 5.18 0.00 -1.86 0.32 119.26 125.93 1id3 h ALA 88 Ca 0.29 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.98 1id3 h ALA 88 Cb 1.42 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.22 1id3 h ALA 88 CO -0.00 0.04 -0.74 0.82 0.00 0.00 0.00 179.25 179.36 1id3 h ILE 89 N 0.00 1.34 0.56 0.00 1.08 -1.01 -2.33 117.51 117.17 1id3 h ILE 89 Ca -0.00 -2.06 -0.03 0.00 -0.39 0.00 0.00 64.86 62.38 1id3 h ILE 89 Cb 0.06 2.35 0.01 0.00 -3.07 0.00 0.00 36.82 36.17 1id3 h ILE 89 CO 0.00 0.62 -0.27 1.23 -0.69 0.00 0.00 178.15 179.05 1id3 h GLY 90 N 0.20 -0.79 0.38 5.37 0.00 -1.07 0.69 103.07 107.85 1id3 h GLY 90 Ca -0.08 0.29 0.20 0.00 0.00 0.00 0.00 47.33 47.74 1id3 h GLY 90 CO 0.15 -0.29 0.58 0.00 0.00 0.00 0.00 176.54 176.98 1id3 h ALA 91 N -0.44 2.29 -0.08 3.60 0.00 -0.58 0.44 119.26 124.49 1id3 h ALA 91 Ca -0.08 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1id3 h ALA 91 Cb 0.61 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1id3 h ALA 91 CO 0.13 -0.55 -0.06 -0.07 0.00 0.00 0.00 179.25 178.70 1id3 h LEU 92 N 0.34 0.19 -0.05 0.00 3.38 -0.65 -2.61 115.31 115.90 1id3 h LEU 92 Ca 0.44 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1id3 h LEU 92 Cb 1.18 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1id3 h LEU 92 CO -0.14 0.60 -0.02 -0.61 0.09 0.00 0.00 178.44 178.36 1id3 h GLN 93 N -0.22 0.11 -1.00 1.13 4.15 0.26 -1.44 115.11 118.10 1id3 h GLN 93 Ca 0.02 -0.04 0.17 0.00 0.77 0.00 0.00 58.65 59.56 1id3 h GLN 93 Cb 0.53 -0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.12 1id3 h GLN 93 CO 0.02 0.48 0.61 0.93 -1.93 0.00 0.00 178.83 178.93 1id3 h GLU 94 N -0.27 0.79 0.25 1.69 4.39 -0.35 -0.09 114.58 120.99 1id3 h GLU 94 Ca 0.01 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1id3 h GLU 94 Cb 0.44 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1id3 h GLU 94 CO 0.01 0.52 -0.13 1.03 -1.16 0.00 0.00 179.01 179.28 1id3 h SER 95 N 0.82 -0.31 -0.52 1.42 0.87 -1.26 -1.01 113.55 113.56 1id3 h SER 95 Ca 0.56 0.01 0.10 0.00 -1.23 0.00 0.00 61.79 61.23 1id3 h SER 95 Cb 0.80 0.08 -0.09 0.00 -0.44 0.00 0.00 62.40 62.75 1id3 h SER 95 CO -0.36 -0.21 -0.05 0.58 -0.53 0.00 0.00 176.83 176.26 1id3 h VAL 96 N -0.34 0.54 -0.90 2.23 2.07 -0.66 -1.62 116.25 117.57 1id3 h VAL 96 Ca -0.03 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1id3 h VAL 96 Cb 0.27 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1id3 h VAL 96 CO 0.05 0.01 0.59 -0.33 0.02 0.00 0.00 177.57 177.91 1id3 h GLU 97 N 0.06 1.14 -0.35 1.57 5.08 -1.07 0.15 114.58 121.16 1id3 h GLU 97 Ca 0.26 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1id3 h GLU 97 Cb 0.40 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1id3 h GLU 97 CO -0.48 0.75 0.13 0.00 -1.00 0.00 0.00 179.01 178.41 1id3 h ALA 98 N 1.35 0.41 0.39 3.43 0.00 -0.26 -1.35 119.26 123.22 1id3 h ALA 98 Ca 0.34 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1id3 h ALA 98 Cb -0.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1id3 h ALA 98 CO -0.09 -0.27 -0.19 -0.92 0.00 0.00 0.00 179.25 177.78 1id3 h TYR 99 N 0.28 -0.48 -0.94 0.00 3.20 -0.64 0.70 116.97 119.09 1id3 h TYR 99 Ca 0.16 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.08 1id3 h TYR 99 Cb 0.13 0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.49 1id3 h TYR 99 CO -0.14 -0.26 0.61 -0.07 -1.64 0.00 0.00 178.16 176.66 1id3 h LEU 100 N -0.59 0.94 -0.28 2.82 3.38 -0.56 1.13 115.31 122.15 1id3 h LEU 100 Ca -0.05 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1id3 h LEU 100 Cb 0.44 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1id3 h LEU 100 CO 0.09 0.60 -0.29 0.58 0.09 0.00 0.00 178.44 179.50 1id3 h VAL 101 N 1.06 1.30 -0.52 1.22 2.07 -1.16 0.21 116.25 120.44 1id3 h VAL 101 Ca 0.41 -1.47 0.04 0.00 0.82 0.00 0.00 66.70 66.50 1id3 h VAL 101 Cb 0.21 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 1id3 h VAL 101 CO -0.16 0.47 0.28 0.77 0.02 0.00 0.00 177.57 178.95 1id3 h SER 102 N 0.43 0.43 0.04 0.57 4.64 0.91 -1.51 113.55 119.06 1id3 h SER 102 Ca 0.04 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 1id3 h SER 102 Cb 0.87 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1id3 h SER 102 CO 0.07 0.30 -0.25 0.25 -0.87 0.00 0.00 176.83 176.33 1id3 h LEU 103 N 0.55 0.35 -0.42 5.97 5.85 0.15 -3.12 115.31 124.64 1id3 h LEU 103 Ca 0.22 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 1id3 h LEU 103 Cb 0.09 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1id3 h LEU 103 CO -0.13 0.61 -0.10 -0.26 -0.34 0.00 0.00 178.44 178.22 1id3 h PHE 104 N 0.32 0.91 -0.24 1.25 0.05 0.43 -0.52 116.94 119.14 1id3 h PHE 104 Ca 0.05 -0.20 0.06 0.00 3.82 0.00 0.00 57.97 61.70 1id3 h PHE 104 Cb 0.62 -0.22 -0.06 0.00 2.00 0.00 0.00 35.95 38.29 1id3 h PHE 104 CO 0.01 0.93 -0.14 0.93 -0.18 0.00 0.00 178.31 179.86 1id3 h GLU 105 N 0.64 -0.11 -0.92 1.51 5.08 -1.34 0.40 114.58 119.83 1id3 h GLU 105 Ca 0.11 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1id3 h GLU 105 Cb 0.63 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.86 1id3 h GLU 105 CO 0.04 -0.08 0.61 -0.44 -1.00 0.00 0.00 179.01 178.14 1id3 h ASP 106 N -0.12 1.03 0.03 1.42 3.32 -1.47 -1.59 116.42 119.04 1id3 h ASP 106 Ca 0.13 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1id3 h ASP 106 Cb 0.32 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1id3 h ASP 106 CO -0.32 0.73 -0.01 0.74 -1.72 0.00 0.00 179.24 178.66 1id3 h THR 107 N 1.21 1.05 -0.41 0.35 2.02 0.56 -2.04 112.91 115.65 1id3 h THR 107 Ca 0.35 -0.25 0.12 0.00 0.77 0.00 0.00 66.41 67.40 1id3 h THR 107 Cb -0.07 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1id3 h THR 107 CO -0.09 0.06 0.31 -1.13 0.37 0.00 0.00 175.52 175.04 1id3 h ASN 108 N -0.15 0.00 0.76 4.18 -1.24 0.43 0.12 115.58 119.68 1id3 h ASN 108 Ca -0.00 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 56.84 1id3 h ASN 108 Cb 0.14 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 1id3 h ASN 108 CO 0.01 0.00 -0.80 -0.07 -1.29 0.00 0.00 177.43 175.28 1id3 h LEU 109 N 0.00 0.04 -0.97 0.34 3.38 -0.66 -1.99 115.31 115.45 1id3 h LEU 109 Ca 0.19 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1id3 h LEU 109 Cb 0.81 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1id3 h LEU 109 CO -0.00 0.82 -0.10 0.00 0.09 0.00 0.00 178.44 179.25 1id3 h ALA 110 N 1.17 0.99 0.04 1.53 0.00 -0.11 -2.57 119.26 120.30 1id3 h ALA 110 Ca -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1id3 h ALA 110 Cb 1.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1id3 h ALA 110 CO 0.11 0.13 -0.02 0.00 0.00 0.00 0.00 179.25 179.47 1id3 h ALA 111 N 1.90 -0.12 -1.67 0.00 0.00 -0.98 -3.15 119.26 115.24 1id3 h ALA 111 Ca -0.00 -0.01 0.49 0.00 0.00 0.00 0.00 54.91 55.38 1id3 h ALA 111 Cb 0.74 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 1id3 h ALA 111 CO 0.01 -0.12 1.22 0.82 0.00 0.00 0.00 179.25 181.19 1id3 h ILE 112 N -0.35 0.14 -0.07 0.00 5.03 -1.22 0.40 117.51 121.45 1id3 h ILE 112 Ca -0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.73 1id3 h ILE 112 Cb 0.04 0.15 -0.00 0.00 -3.03 0.00 0.00 36.82 33.97 1id3 h ILE 112 CO 0.01 0.00 0.02 -0.74 -0.68 0.00 0.00 178.15 176.76 1id3 h HIS 113 N 0.00 0.12 0.00 1.37 2.76 -1.50 -1.84 115.15 116.06 1id3 h HIS 113 Ca 0.80 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.95 1id3 h HIS 113 Cb 3.23 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 32.16 1id3 h HIS 113 CO 0.00 0.28 0.00 0.00 -1.30 0.00 0.00 177.93 176.91 1id3 n ALA 114 N -2.22 2.38 -2.59 5.26 0.00 0.14 -4.69 120.51 118.78 1id3 n ALA 114 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 1id3 n ALA 114 Cb 0.14 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.71 -2.52 -3.91 0.00 5.02 -0.69 -4.93 118.16 111.83 1id3 n LYS 115 Ca 0.00 0.49 -0.25 0.00 -2.02 0.00 0.00 58.31 56.53 1id3 n LYS 115 Cb 0.38 -5.09 -0.03 0.00 -0.02 0.00 0.00 35.03 30.27 1id3 n LYS 115 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1id3 n ARG 116 N -2.90 0.89 -0.37 1.97 1.74 -0.99 -4.99 116.66 112.01 1id3 n ARG 116 Ca -0.10 -3.04 0.00 0.00 -0.77 0.00 0.00 57.85 53.93 1id3 n ARG 116 Cb 0.58 0.60 0.00 0.00 -1.02 0.00 0.00 32.46 32.62 1id3 n ARG 116 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1id3 n VAL 117 N -1.31 0.00 -4.03 1.55 0.24 -1.26 -2.85 118.33 110.67 1id3 n VAL 117 Ca -0.11 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.88 1id3 n VAL 117 Cb 0.54 0.58 -0.16 0.00 -1.47 0.00 0.00 33.84 33.33 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 0.00 1.78 0.06 3.34 2.01 -1.26 -5.00 115.64 116.57 1id3 s THR 118 Ca 0.00 -1.00 -0.31 0.00 0.31 0.00 0.00 61.69 60.69 1id3 s THR 118 Cb 0.00 -1.77 -0.08 0.00 0.01 0.00 0.00 72.50 70.66 1id3 s THR 118 CO 0.00 0.27 1.63 0.27 -0.69 0.00 0.00 174.62 176.10 1id3 s ILE 119 N 1.36 3.11 0.11 1.82 -4.36 -1.26 -4.90 121.20 117.08 1id3 s ILE 119 Ca 0.00 0.55 0.06 0.00 -0.26 0.00 0.00 60.65 61.01 1id3 s ILE 119 Cb -0.15 -3.35 -0.04 0.00 1.25 0.00 0.00 42.46 40.16 1id3 s ILE 119 CO -0.09 -0.00 -0.05 -1.10 0.24 0.00 0.00 174.94 173.93 1id3 s GLN 120 N 2.63 2.31 0.47 0.37 -0.21 -1.26 -4.98 119.66 118.99 1id3 s GLN 120 Ca 0.73 -0.96 0.37 0.00 0.02 0.00 0.00 55.36 55.51 1id3 s GLN 120 Cb -0.39 -2.40 1.56 0.00 1.00 0.00 0.00 33.01 32.78 1id3 s GLN 120 CO 0.32 0.51 1.58 -0.22 -2.12 0.00 0.00 175.29 175.36 1id3 h LYS 121 N 3.44 0.01 0.00 2.91 3.64 -2.02 1.49 116.57 126.05 1id3 h LYS 121 Ca -0.48 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1id3 h LYS 121 Cb 1.17 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1id3 h LYS 121 CO 0.56 0.01 0.00 1.57 -2.27 0.00 0.00 179.45 179.31 1id3 h LYS 122 N 0.01 0.00 0.25 1.90 2.10 -1.99 -2.81 116.57 116.02 1id3 h LYS 122 Ca 0.89 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.53 1id3 h LYS 122 Cb 3.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 34.40 1id3 h LYS 122 CO -0.34 0.00 -0.12 0.93 -2.00 0.00 0.00 179.45 177.92 1id3 h GLU 123 N 0.00 -0.32 -0.83 0.07 4.39 0.18 -2.82 114.58 115.25 1id3 h GLU 123 Ca 0.00 0.02 0.20 0.00 0.34 0.00 0.00 59.36 59.92 1id3 h GLU 123 Cb 0.48 0.07 -0.15 0.00 -0.10 0.00 0.00 28.75 29.06 1id3 h GLU 123 CO 0.00 -0.06 -0.00 0.82 -1.16 0.00 0.00 179.01 178.61 1id3 h ILE 124 N -1.02 0.24 -0.03 3.13 1.08 -1.52 1.10 117.51 120.50 1id3 h ILE 124 Ca -0.03 -0.03 0.03 0.00 -0.39 0.00 0.00 64.86 64.44 1id3 h ILE 124 Cb 0.41 0.16 -0.06 0.00 -3.07 0.00 0.00 36.82 34.26 1id3 h ILE 124 CO 0.06 0.01 -0.50 0.11 -0.69 0.00 0.00 178.15 177.14 1id3 h LYS 125 N 0.08 -0.60 -0.56 2.37 1.79 -1.49 0.35 116.57 118.51 1id3 h LYS 125 Ca 0.46 0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.95 1id3 h LYS 125 Cb 0.85 0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.61 1id3 h LYS 125 CO -0.75 -0.40 0.26 1.25 -1.08 0.00 0.00 179.45 178.73 1id3 h LEU 126 N -0.62 0.75 -0.39 2.94 5.85 -0.56 0.28 115.31 123.56 1id3 h LEU 126 Ca 0.03 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.65 1id3 h LEU 126 Cb 0.70 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1id3 h LEU 126 CO -0.36 0.68 0.16 0.00 -0.34 0.00 0.00 178.44 178.57 1id3 h ALA 127 N 1.10 0.47 -0.09 1.25 0.00 0.17 0.39 119.26 122.54 1id3 h ALA 127 Ca 0.19 0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.95 1id3 h ALA 127 Cb 0.14 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1id3 h ALA 127 CO -0.02 -0.22 -0.74 0.00 0.00 0.00 0.00 179.25 178.27 1id3 h ARG 128 N 0.33 0.48 -0.29 0.00 3.08 -0.12 -2.92 114.38 114.94 1id3 h ARG 128 Ca 0.18 -0.39 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 1id3 h ARG 128 Cb 0.13 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1id3 h ARG 128 CO -0.16 1.03 0.17 -0.09 -1.07 0.00 0.00 179.97 179.85 1id3 h ARG 129 N 0.33 0.39 0.03 0.04 9.65 0.40 -2.27 114.38 122.94 1id3 h ARG 129 Ca -0.03 -0.03 -0.28 0.00 -1.10 0.00 0.00 59.98 58.54 1id3 h ARG 129 Cb 1.32 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 29.78 1id3 h ARG 129 CO 0.13 0.27 -1.53 -0.07 2.80 0.00 0.00 179.97 181.58 1id3 h LEU 130 N 0.39 0.09 -0.44 3.80 3.38 -0.91 -3.12 115.31 118.50 1id3 h LEU 130 Ca 0.10 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1id3 h LEU 130 Cb -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1id3 h LEU 130 CO -0.02 1.13 0.00 0.54 0.09 0.00 0.00 178.44 180.18 1id3 n ARG 131 N -3.21 0.12 -1.50 1.13 1.74 -1.11 -4.91 116.66 108.92 1id3 n ARG 131 Ca -0.14 0.36 -0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1id3 n ARG 131 Cb 1.02 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 30.73 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 0.01 -1.69 2.23 -0.13 0.00 -0.89 -5.08 105.19 99.63 1id3 n GLY 132 Ca 0.03 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.27 0.90 0.00 1.61 1.02 -1.00 -5.02 120.64 117.89 1id3 n GLU 133 Ca 0.00 -3.24 0.00 0.00 -0.02 0.00 0.00 57.16 53.90 1id3 n GLU 133 Cb 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 1id3 n GLU 133 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85