#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ie5 s ASP -4 N 0.00 6.41 0.65 7.28 -1.08 -1.26 -4.95 116.67 123.72 3ie5 s ASP -4 Ca 0.00 -0.13 0.39 0.00 -0.52 0.00 0.00 52.55 52.28 3ie5 s ASP -4 Cb 0.00 -2.40 2.13 0.00 -1.46 0.00 0.00 42.92 41.19 3ie5 s ASP -4 CO 0.00 -0.99 2.25 -0.65 0.52 0.00 0.00 175.17 176.30 3ie5 h PRO -3 N 9.05 0.00 -0.59 4.34 0.11 -2.01 -0.85 132.00 142.05 3ie5 h PRO -3 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3ie5 h PRO -3 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3ie5 h PRO -3 CO 0.99 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.97 3ie5 n PHE -2 N -3.21 0.96 0.67 0.65 3.72 -1.26 -2.42 117.46 116.56 3ie5 n PHE -2 Ca -0.02 -0.38 0.10 0.00 -0.05 0.00 0.00 57.45 57.09 3ie5 n PHE -2 Cb 0.16 -0.17 0.11 0.00 -0.94 0.00 0.00 39.48 38.64 3ie5 n PHE -2 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3ie5 n THR -1 N 0.66 0.13 -2.28 4.37 -2.24 -0.32 -4.52 114.28 110.08 3ie5 n THR -1 Ca 0.17 -0.57 -0.42 0.00 -2.27 0.00 0.00 64.05 60.96 3ie5 n THR -1 Cb 0.61 1.29 -0.03 0.00 -2.10 0.00 0.00 70.33 70.10 3ie5 n THR -1 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3ie5 s MET 1 N -1.55 4.27 -0.10 -0.78 0.00 -1.02 -4.88 119.30 115.25 3ie5 s MET 1 Ca 0.25 1.87 0.19 0.00 0.00 0.00 0.00 55.69 58.00 3ie5 s MET 1 Cb 0.17 -3.67 -0.26 0.00 0.00 0.00 0.00 34.83 31.08 3ie5 s MET 1 CO 0.25 -0.62 0.34 0.00 0.00 0.00 0.00 175.02 175.00 3ie5 n ALA 2 N 5.84 1.98 -3.60 4.11 0.00 -1.26 -4.59 120.51 122.99 3ie5 n ALA 2 Ca 0.13 -0.93 -0.15 0.00 0.00 0.00 0.00 53.44 52.49 3ie5 n ALA 2 Cb 0.44 -0.51 -0.07 0.00 0.00 0.00 0.00 19.45 19.32 3ie5 n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ie5 s ALA 3 N -2.89 -1.78 -0.15 0.00 0.00 -1.26 -4.18 121.76 111.50 3ie5 s ALA 3 Ca -0.08 1.82 0.00 0.00 0.00 0.00 0.00 51.96 53.70 3ie5 s ALA 3 Cb 0.09 -0.85 0.03 0.00 0.00 0.00 0.00 23.12 22.39 3ie5 s ALA 3 CO 0.85 -0.35 -0.10 -0.47 0.00 0.00 0.00 175.76 175.70 3ie5 s TYR 4 N -0.08 1.93 -0.06 0.00 6.04 -0.32 -4.96 117.35 119.89 3ie5 s TYR 4 Ca -0.03 -1.13 0.05 0.00 0.04 0.00 0.00 57.07 56.00 3ie5 s TYR 4 Cb -0.04 -1.45 -0.01 0.00 -1.04 0.00 0.00 41.96 39.43 3ie5 s TYR 4 CO 0.03 -0.63 -0.22 0.99 -1.54 0.00 0.00 175.55 174.18 3ie5 s THR 5 N 1.56 2.31 -0.00 4.34 2.01 -1.26 -0.54 115.64 124.06 3ie5 s THR 5 Ca 0.03 -0.97 0.08 0.00 0.31 0.00 0.00 61.69 61.13 3ie5 s THR 5 Cb -0.14 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 70.49 3ie5 s THR 5 CO -0.09 0.57 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.54 3ie5 s ILE 6 N -0.19 1.87 -0.11 1.82 1.01 -0.13 -4.97 121.20 120.51 3ie5 s ILE 6 Ca -0.02 -1.09 0.03 0.00 0.00 0.00 0.00 60.65 59.58 3ie5 s ILE 6 Cb -0.13 -1.57 -0.00 0.00 0.01 0.00 0.00 42.46 40.76 3ie5 s ILE 6 CO 0.03 0.46 -0.23 -0.69 0.00 0.00 0.00 174.94 174.52 3ie5 s VAL 7 N -0.62 2.18 -0.01 2.92 1.01 -1.26 -1.06 120.40 123.57 3ie5 s VAL 7 Ca 0.09 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.15 3ie5 s VAL 7 Cb -0.09 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 3ie5 s VAL 7 CO -0.00 0.55 -0.16 -0.54 0.00 0.00 0.00 175.10 174.95 3ie5 s LYS 8 N 0.37 1.32 0.01 2.72 -0.14 -0.33 -5.01 119.74 118.68 3ie5 s LYS 8 Ca -0.17 -0.60 0.02 0.00 -1.36 0.00 0.00 55.97 53.86 3ie5 s LYS 8 Cb -0.18 -1.28 -0.01 0.00 -1.68 0.00 0.00 37.83 34.69 3ie5 s LYS 8 CO 0.08 0.35 -0.07 -2.00 -0.76 0.00 0.00 175.35 172.95 3ie5 s GLU 9 N -0.42 0.55 0.01 1.68 2.12 -1.26 -1.02 118.70 120.36 3ie5 s GLU 9 Ca 0.06 -0.35 -0.05 0.00 0.36 0.00 0.00 54.97 54.98 3ie5 s GLU 9 Cb -0.06 -0.50 -0.01 0.00 0.26 0.00 0.00 34.13 33.82 3ie5 s GLU 9 CO -0.01 0.13 0.09 -1.21 -0.54 0.00 0.00 175.26 173.73 3ie5 s GLU 10 N -0.46 0.46 0.12 4.30 0.41 -0.55 -4.99 118.70 118.00 3ie5 s GLU 10 Ca 0.00 -0.51 -0.07 0.00 -0.41 0.00 0.00 54.97 53.98 3ie5 s GLU 10 Cb -0.04 0.19 -0.06 0.00 -1.78 0.00 0.00 34.13 32.44 3ie5 s GLU 10 CO -0.00 -0.11 0.40 -1.21 -0.49 0.00 0.00 175.26 173.85 3ie5 s GLU 11 N -1.62 3.69 -0.02 1.61 8.01 -1.26 -0.97 118.70 128.14 3ie5 s GLU 11 Ca -0.13 0.05 -0.06 0.00 0.01 0.00 0.00 54.97 54.84 3ie5 s GLU 11 Cb -0.07 -2.89 0.01 0.00 -4.31 0.00 0.00 34.13 26.86 3ie5 s GLU 11 CO -0.00 0.49 0.14 0.45 0.01 0.00 0.00 175.26 176.35 3ie5 s SER 12 N -2.14 -0.03 0.01 -0.19 0.15 -0.31 -4.98 113.70 106.20 3ie5 s SER 12 Ca 0.38 -0.03 0.21 0.00 0.70 0.00 0.00 55.95 57.21 3ie5 s SER 12 Cb -0.13 0.24 0.87 0.00 -1.71 0.00 0.00 66.02 65.29 3ie5 s SER 12 CO 0.21 -0.25 1.66 -0.81 1.20 0.00 0.00 173.24 175.25 3ie5 n PRO 13 N 2.04 0.01 -2.87 5.44 -0.04 -1.26 -0.47 135.00 137.84 3ie5 n PRO 13 Ca -0.19 0.16 -0.40 0.00 -0.04 0.00 0.00 63.50 63.03 3ie5 n PRO 13 Cb 0.57 -1.52 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 3ie5 n PRO 13 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3ie5 s ILE 14 N -3.01 4.29 0.49 0.52 -1.09 -1.26 -3.88 121.20 117.25 3ie5 s ILE 14 Ca 0.10 1.88 -0.23 0.00 -2.23 0.00 0.00 60.65 60.17 3ie5 s ILE 14 Cb 0.13 -4.23 -0.06 0.00 -1.58 0.00 0.00 42.46 36.72 3ie5 s ILE 14 CO 0.38 0.49 1.26 0.00 -1.23 0.00 0.00 174.94 175.83 3ie5 s ALA 15 N -1.00 2.94 0.33 9.38 0.00 -1.22 -2.89 121.76 129.29 3ie5 s ALA 15 Ca 0.39 1.13 0.07 0.00 0.00 0.00 0.00 51.96 53.55 3ie5 s ALA 15 Cb -0.24 -3.47 0.58 0.00 0.00 0.00 0.00 23.12 19.98 3ie5 s ALA 15 CO 0.29 -0.98 1.80 -1.00 0.00 0.00 0.00 175.76 175.86 3ie5 h PRO 16 N 1.86 0.31 -0.05 0.00 0.13 -1.86 -1.79 132.00 130.59 3ie5 h PRO 16 Ca -0.50 -0.10 -0.04 0.00 -0.87 0.00 0.00 66.00 64.49 3ie5 h PRO 16 Cb 1.27 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 3ie5 h PRO 16 CO 0.59 0.54 -0.16 1.12 -0.23 0.00 0.00 178.00 179.87 3ie5 h HIS 17 N 0.28 0.08 -0.17 1.56 2.07 -1.96 -0.35 115.15 116.66 3ie5 h HIS 17 Ca 0.04 -0.01 -0.14 0.00 -2.85 0.00 0.00 60.37 57.42 3ie5 h HIS 17 Cb 0.59 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.55 3ie5 h HIS 17 CO 0.01 0.24 -0.44 0.00 -3.07 0.00 0.00 177.93 174.67 3ie5 h ARG 18 N 0.08 0.59 -0.38 5.12 3.08 -1.58 -1.48 114.38 119.81 3ie5 h ARG 18 Ca 0.02 -0.41 -0.07 0.00 0.07 0.00 0.00 59.98 59.59 3ie5 h ARG 18 Cb 0.33 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3ie5 h ARG 18 CO 0.02 1.03 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.84 3ie5 h LEU 19 N 0.25 0.60 -0.22 3.04 3.38 -1.12 -1.68 115.31 119.56 3ie5 h LEU 19 Ca -0.01 -0.14 -0.22 0.00 0.09 0.00 0.00 57.88 57.61 3ie5 h LEU 19 Cb 1.05 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3ie5 h LEU 19 CO 0.09 0.70 -0.83 0.15 0.09 0.00 0.00 178.44 178.64 3ie5 h PHE 20 N 0.59 0.79 -0.38 1.13 3.57 -1.02 0.13 116.94 121.76 3ie5 h PHE 20 Ca 0.12 -0.38 -0.10 0.00 3.53 0.00 0.00 57.97 61.14 3ie5 h PHE 20 Cb 0.44 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 3ie5 h PHE 20 CO 0.02 1.18 -0.16 -0.22 -2.23 0.00 0.00 178.31 176.90 3ie5 h LYS 21 N 0.37 0.78 -0.27 1.11 3.64 -1.08 -0.97 116.57 120.14 3ie5 h LYS 21 Ca -0.06 -0.33 -0.19 0.00 -1.27 0.00 0.00 60.65 58.80 3ie5 h LYS 21 Cb 1.45 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 3ie5 h LYS 21 CO 0.16 0.95 -0.58 0.00 -2.27 0.00 0.00 179.45 177.71 3ie5 h ALA 22 N 0.81 0.44 -0.01 5.00 0.00 -1.09 0.64 119.26 125.05 3ie5 h ALA 22 Ca 0.09 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3ie5 h ALA 22 Cb 0.71 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3ie5 h ALA 22 CO 0.05 0.68 -0.60 1.28 0.00 0.00 0.00 179.25 180.66 3ie5 n LEU 23 N -4.00 1.40 0.02 0.00 4.77 0.45 -3.17 117.00 116.48 3ie5 n LEU 23 Ca -0.05 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 3ie5 n LEU 23 Cb 0.65 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 3ie5 n LEU 23 CO 0.51 0.29 0.00 0.52 -1.33 0.00 0.00 177.39 177.38 3ie5 n VAL 24 N -0.67 0.20 -0.29 4.08 0.31 -0.43 -4.62 118.33 116.91 3ie5 n VAL 24 Ca 0.06 0.06 -0.06 0.00 -0.01 0.00 0.00 64.34 64.39 3ie5 n VAL 24 Cb 0.35 -0.74 0.06 0.00 -0.91 0.00 0.00 33.84 32.61 3ie5 n VAL 24 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3ie5 h LEU 25 N 0.00 1.09 -3.11 7.52 3.38 -1.36 -2.99 115.31 119.83 3ie5 h LEU 25 Ca 0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3ie5 h LEU 25 Cb 0.00 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3ie5 h LEU 25 CO 0.00 0.96 -0.09 -0.62 0.09 0.00 0.00 178.44 178.79 3ie5 n GLU 26 N -4.29 1.80 -0.27 1.13 -0.58 0.21 -4.72 120.64 113.93 3ie5 n GLU 26 Ca 0.07 -2.84 0.12 0.00 -0.42 0.00 0.00 57.16 54.09 3ie5 n GLU 26 Cb 0.19 -1.64 0.38 0.00 -0.57 0.00 0.00 31.44 29.79 3ie5 n GLU 26 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 3ie5 h ARG 27 N 0.73 0.67 -0.15 3.49 0.11 -1.48 -0.88 114.38 116.87 3ie5 h ARG 27 Ca 0.03 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.05 3ie5 h ARG 27 Cb 1.19 -0.15 -0.01 0.00 1.11 0.00 0.00 29.97 32.11 3ie5 h ARG 27 CO 0.10 0.44 0.03 1.12 0.10 0.00 0.00 179.97 181.76 3ie5 h HIS 28 N 0.69 0.21 0.15 4.08 2.07 -1.84 -0.04 115.15 120.47 3ie5 h HIS 28 Ca 0.45 -0.00 -0.36 0.00 -2.85 0.00 0.00 60.37 57.61 3ie5 h HIS 28 Cb 0.72 -0.07 -0.00 0.00 2.57 0.00 0.00 27.41 30.63 3ie5 h HIS 28 CO -0.00 0.20 -1.86 1.96 -3.07 0.00 0.00 177.93 175.16 3ie5 h GLN 29 N 0.21 0.33 -0.45 5.12 4.20 -1.51 -3.32 115.11 119.68 3ie5 h GLN 29 Ca 0.05 -0.56 -0.05 0.00 0.06 0.00 0.00 58.65 58.15 3ie5 h GLN 29 Cb 0.10 0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 3ie5 h GLN 29 CO -0.00 1.27 0.06 0.28 -0.67 0.00 0.00 178.83 179.76 3ie5 h VAL 30 N 0.07 1.22 -0.90 -0.54 2.07 -0.94 -2.03 116.25 115.20 3ie5 h VAL 30 Ca -0.38 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 3ie5 h VAL 30 Cb 2.05 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 3ie5 h VAL 30 CO 0.13 0.30 0.55 -0.07 0.02 0.00 0.00 177.57 178.50 3ie5 h LEU 31 N 0.67 1.07 -0.37 2.57 3.38 -1.18 0.11 115.31 121.57 3ie5 h LEU 31 Ca 0.14 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 3ie5 h LEU 31 Cb 0.33 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3ie5 h LEU 31 CO 0.01 0.81 -0.10 0.58 0.09 0.00 0.00 178.44 179.82 3ie5 h VAL 32 N 1.24 1.28 -0.84 1.22 2.07 -1.53 0.03 116.25 119.71 3ie5 h VAL 32 Ca 0.32 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 3ie5 h VAL 32 Cb -0.07 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 3ie5 h VAL 32 CO -0.06 0.39 0.41 0.50 0.02 0.00 0.00 177.57 178.82 3ie5 h LYS 33 N 0.51 1.20 -0.35 1.57 3.64 -0.93 -2.69 116.57 119.52 3ie5 h LYS 33 Ca 0.09 -0.17 -0.15 0.00 -1.27 0.00 0.00 60.65 59.15 3ie5 h LYS 33 Cb 0.62 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3ie5 h LYS 33 CO 0.04 0.92 -0.38 0.00 -2.27 0.00 0.00 179.45 177.76 3ie5 h ALA 34 N 1.25 0.67 -2.04 5.00 0.00 -0.56 -3.39 119.26 120.19 3ie5 h ALA 34 Ca 0.29 -0.45 -0.54 0.00 0.00 0.00 0.00 54.91 54.21 3ie5 h ALA 34 Cb 0.11 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 17.38 3ie5 h ALA 34 CO -0.04 0.67 -1.05 1.04 0.00 0.00 0.00 179.25 179.87 3ie5 n GLN 35 N -4.05 1.14 0.00 0.00 6.02 -0.02 -4.94 117.38 115.53 3ie5 n GLN 35 Ca -0.02 -3.53 0.09 0.00 -0.01 0.00 0.00 57.00 53.54 3ie5 n GLN 35 Cb 0.53 -1.54 0.43 0.00 1.02 0.00 0.00 30.24 30.68 3ie5 n GLN 35 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3ie5 n PRO 36 N 0.90 0.08 0.00 -1.09 -0.04 -1.03 -1.01 135.00 132.82 3ie5 n PRO 36 Ca 0.24 0.15 0.13 0.00 -0.04 0.00 0.00 63.50 63.98 3ie5 n PRO 36 Cb 0.55 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.96 3ie5 n PRO 36 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3ie5 n HIS 37 N -1.44 0.00 -0.06 0.54 1.44 -1.26 -4.22 115.22 110.23 3ie5 n HIS 37 Ca 0.06 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.67 3ie5 n HIS 37 Cb 0.20 -0.33 -0.05 0.00 0.12 0.00 0.00 29.99 29.94 3ie5 n HIS 37 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 3ie5 n VAL 38 N -1.39 0.64 -5.04 0.61 0.31 -0.18 -4.82 118.33 108.46 3ie5 n VAL 38 Ca 0.08 -0.20 -0.32 0.00 -0.01 0.00 0.00 64.34 63.88 3ie5 n VAL 38 Cb 0.33 -1.27 -0.14 0.00 -0.91 0.00 0.00 33.84 31.85 3ie5 n VAL 38 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3ie5 s PHE 39 N -2.22 2.57 -0.42 3.52 0.08 -0.37 -0.71 117.98 120.43 3ie5 s PHE 39 Ca -0.16 -0.29 0.14 0.00 0.12 0.00 0.00 56.93 56.74 3ie5 s PHE 39 Cb 0.05 -1.59 -0.18 0.00 -0.57 0.00 0.00 43.02 40.73 3ie5 s PHE 39 CO 0.23 0.08 0.49 0.36 -0.10 0.00 0.00 175.22 176.28 3ie5 n LYS 40 N 2.43 1.68 -3.54 0.44 2.85 0.12 -4.46 118.16 117.69 3ie5 n LYS 40 Ca -0.17 -0.05 -0.14 0.00 -1.05 0.00 0.00 58.31 56.90 3ie5 n LYS 40 Cb 0.52 -1.22 -0.05 0.00 -0.65 0.00 0.00 35.03 33.62 3ie5 n LYS 40 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3ie5 s SER 41 N -2.81 -0.52 -0.02 -5.58 1.04 -1.14 -5.00 113.70 99.67 3ie5 s SER 41 Ca 0.01 0.50 -0.00 0.00 0.48 0.00 0.00 55.95 56.94 3ie5 s SER 41 Cb 0.10 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.69 3ie5 s SER 41 CO 0.58 -0.52 0.04 -0.83 0.98 0.00 0.00 173.24 173.48 3ie5 s GLY 42 N -1.34 0.13 0.09 7.32 0.00 -1.25 -0.96 107.32 111.31 3ie5 s GLY 42 Ca -0.05 0.28 -0.10 0.00 0.00 0.00 0.00 44.72 44.85 3ie5 s GLY 42 CO 0.04 0.84 0.22 -1.83 0.00 0.00 0.00 173.10 172.37 3ie5 s GLU 43 N 1.31 0.87 -0.16 2.90 -1.05 -0.42 -4.54 118.70 117.61 3ie5 s GLU 43 Ca -0.06 -0.91 -0.19 0.00 -0.15 0.00 0.00 54.97 53.66 3ie5 s GLU 43 Cb -0.13 0.36 -0.03 0.00 -0.44 0.00 0.00 34.13 33.89 3ie5 s GLU 43 CO -0.03 -0.28 0.53 0.42 0.95 0.00 0.00 175.26 176.85 3ie5 s ILE 44 N -3.81 5.12 -0.27 1.83 1.01 -1.26 -0.64 121.20 123.17 3ie5 s ILE 44 Ca 0.04 1.02 0.13 0.00 0.00 0.00 0.00 60.65 61.84 3ie5 s ILE 44 Cb 0.04 -3.86 -0.18 0.00 0.01 0.00 0.00 42.46 38.48 3ie5 s ILE 44 CO -0.11 0.22 0.40 2.30 0.00 0.00 0.00 174.94 177.75 3ie5 n ILE 45 N 4.21 0.00 -3.71 2.92 -5.35 -0.44 -4.94 119.36 112.05 3ie5 n ILE 45 Ca -0.05 -0.26 -0.11 0.00 -0.27 0.00 0.00 62.75 62.06 3ie5 n ILE 45 Cb 0.51 0.55 -0.12 0.00 -1.74 0.00 0.00 39.64 38.84 3ie5 n ILE 45 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3ie5 s GLU 46 N -2.60 0.33 0.54 6.28 8.01 -1.10 -4.96 118.70 125.20 3ie5 s GLU 46 Ca -0.01 0.66 0.00 0.00 0.01 0.00 0.00 54.97 55.64 3ie5 s GLU 46 Cb 0.09 -0.03 0.00 0.00 -4.31 0.00 0.00 34.13 29.88 3ie5 s GLU 46 CO 0.54 -0.15 0.00 0.41 0.01 0.00 0.00 175.26 176.07 3ie5 n GLY 47 N 4.08 -1.87 0.11 -1.39 0.00 -1.26 -0.60 105.19 104.27 3ie5 n GLY 47 Ca -0.23 -1.74 0.01 0.00 0.00 0.00 0.00 46.02 44.06 3ie5 n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ie5 n ASP 48 N 0.43 0.58 0.00 1.61 5.68 -1.26 -4.96 116.55 118.64 3ie5 n ASP 48 Ca 0.00 -1.58 0.00 0.00 -0.50 0.00 0.00 54.79 52.71 3ie5 n ASP 48 Cb 0.00 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 3ie5 n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ie5 n GLY 49 N -0.22 1.06 0.69 6.12 0.00 -1.26 -5.12 105.19 106.47 3ie5 n GLY 49 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 3ie5 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie5 n GLY 50 N -0.52 0.23 3.67 -0.02 0.00 -1.26 -4.93 105.19 102.37 3ie5 n GLY 50 Ca 0.00 -1.89 -0.44 0.00 0.00 0.00 0.00 46.02 43.68 3ie5 n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ie5 n VAL 51 N -1.83 1.10 -0.03 1.61 0.31 -1.26 -1.98 118.33 116.25 3ie5 n VAL 51 Ca 0.03 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 3ie5 n VAL 51 Cb 0.11 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 3ie5 n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ie5 n GLY 52 N 1.97 0.39 3.77 2.92 0.00 -0.54 -4.99 105.19 108.72 3ie5 n GLY 52 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3ie5 n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ie5 s THR 53 N -2.14 2.18 -0.05 2.61 2.01 -0.84 -4.69 115.64 114.72 3ie5 s THR 53 Ca 0.00 0.17 0.06 0.00 0.31 0.00 0.00 61.69 62.23 3ie5 s THR 53 Cb 0.00 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 3ie5 s THR 53 CO 0.00 0.04 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.05 3ie5 s VAL 54 N -0.80 1.88 0.20 3.82 1.01 0.23 -0.97 120.40 125.77 3ie5 s VAL 54 Ca 0.55 -0.98 0.09 0.00 0.00 0.00 0.00 61.98 61.65 3ie5 s VAL 54 Cb -0.46 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3ie5 s VAL 54 CO 0.57 0.53 -0.08 0.42 0.00 0.00 0.00 175.10 176.54 3ie5 s THR 55 N -0.16 3.21 -0.10 3.92 -4.23 -0.18 -1.33 115.64 116.78 3ie5 s THR 55 Ca -0.02 -1.72 0.02 0.00 -1.18 0.00 0.00 61.69 58.79 3ie5 s THR 55 Cb -0.13 -2.61 0.01 0.00 1.34 0.00 0.00 72.50 71.11 3ie5 s THR 55 CO 0.03 -0.16 -0.17 -0.75 -0.54 0.00 0.00 174.62 173.03 3ie5 s LYS 56 N -2.99 2.34 -0.14 3.99 2.20 0.18 -2.09 119.74 123.24 3ie5 s LYS 56 Ca 0.26 -0.62 -0.00 0.00 -0.36 0.00 0.00 55.97 55.25 3ie5 s LYS 56 Cb -0.08 -1.92 -0.01 0.00 -1.51 0.00 0.00 37.83 34.31 3ie5 s LYS 56 CO 0.16 0.00 -0.13 0.42 -0.36 0.00 0.00 175.35 175.44 3ie5 s ILE 57 N 0.79 2.98 -0.10 5.43 1.01 -0.38 -1.30 121.20 129.64 3ie5 s ILE 57 Ca -0.10 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 59.89 3ie5 s ILE 57 Cb -0.16 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 3ie5 s ILE 57 CO 0.01 0.52 -0.17 -0.89 0.00 0.00 0.00 174.94 174.41 3ie5 s THR 58 N 0.50 2.76 0.59 2.92 2.01 -0.14 -1.17 115.64 123.12 3ie5 s THR 58 Ca -0.09 -0.79 -0.09 0.00 0.31 0.00 0.00 61.69 61.03 3ie5 s THR 58 Cb -0.16 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.22 3ie5 s THR 58 CO 0.04 0.55 0.96 -0.36 -0.69 0.00 0.00 174.62 175.12 3ie5 s PHE 59 N 0.01 3.52 0.71 4.92 0.08 -0.53 -0.70 117.98 125.99 3ie5 s PHE 59 Ca -0.06 1.04 -0.15 0.00 0.12 0.00 0.00 56.93 57.88 3ie5 s PHE 59 Cb -0.15 -2.66 0.03 0.00 -0.57 0.00 0.00 43.02 39.68 3ie5 s PHE 59 CO 0.05 -0.66 1.17 0.14 -0.10 0.00 0.00 175.22 175.82 3ie5 s VAL 60 N -3.06 2.60 0.46 -0.44 -7.23 0.11 -4.37 120.40 108.47 3ie5 s VAL 60 Ca 0.53 0.29 -0.25 0.00 -1.81 0.00 0.00 61.98 60.74 3ie5 s VAL 60 Cb -0.11 -2.83 -0.08 0.00 0.56 0.00 0.00 36.38 33.92 3ie5 s VAL 60 CO 0.50 -0.16 1.42 -1.81 -0.31 0.00 0.00 175.10 174.73 3ie5 s ASP 61 N -2.21 5.85 0.00 4.85 1.01 -1.26 -1.98 116.67 122.92 3ie5 s ASP 61 Ca 0.72 2.90 0.00 0.00 0.71 0.00 0.00 52.55 56.88 3ie5 s ASP 61 Cb -0.26 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.02 3ie5 s ASP 61 CO 0.44 -1.19 0.00 0.61 0.21 0.00 0.00 175.17 175.24 3ie5 n GLY 62 N 0.59 2.87 3.76 0.21 0.00 -1.26 -5.02 105.19 106.35 3ie5 n GLY 62 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 3ie5 n GLY 62 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ie5 s HIS 63 N -1.69 2.54 0.33 1.61 5.04 -0.84 -4.89 115.29 117.40 3ie5 s HIS 63 Ca 0.00 1.32 0.01 0.00 -1.54 0.00 0.00 55.06 54.85 3ie5 s HIS 63 Cb 0.00 -3.82 0.57 0.00 0.04 0.00 0.00 32.58 29.37 3ie5 s HIS 63 CO 0.00 -2.66 1.98 -1.35 -2.34 0.00 0.00 174.74 170.37 3ie5 h PRO 64 N 2.29 0.89 -7.04 2.88 0.11 -1.95 -3.43 132.00 125.75 3ie5 h PRO 64 Ca -0.50 -0.07 -0.46 0.00 0.11 0.00 0.00 66.00 65.08 3ie5 h PRO 64 Cb 1.26 -0.20 0.05 0.00 0.11 0.00 0.00 31.00 32.23 3ie5 h PRO 64 CO 0.61 0.61 0.11 -0.51 -0.21 0.00 0.00 178.00 178.61 3ie5 s LEU 65 N -9.74 3.25 0.00 2.35 1.43 -1.26 -5.05 118.68 109.66 3ie5 s LEU 65 Ca -0.10 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 3ie5 s LEU 65 Cb 0.17 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 43.07 3ie5 s LEU 65 CO 0.77 -1.09 0.00 0.35 0.23 0.00 0.00 176.35 176.61 3ie5 n THR 66 N -2.52 0.00 -3.67 5.49 -2.24 -1.26 -4.72 114.28 105.36 3ie5 n THR 66 Ca 0.05 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.73 3ie5 n THR 66 Cb 0.58 -0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 68.18 3ie5 n THR 66 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3ie5 s TYR 67 N -1.76 -0.30 -0.02 4.78 -0.85 -1.26 -1.45 117.35 116.49 3ie5 s TYR 67 Ca 0.00 -0.04 -0.01 0.00 -0.52 0.00 0.00 57.07 56.50 3ie5 s TYR 67 Cb 0.00 0.59 0.01 0.00 0.38 0.00 0.00 41.96 42.94 3ie5 s TYR 67 CO 0.00 -1.03 0.03 -1.64 -1.52 0.00 0.00 175.55 171.40 3ie5 s MET 68 N -3.85 0.02 -0.14 -3.49 -1.94 -0.32 -3.03 119.30 106.56 3ie5 s MET 68 Ca 0.07 0.09 -0.02 0.00 -1.71 0.00 0.00 55.69 54.12 3ie5 s MET 68 Cb -0.03 -0.05 -0.02 0.00 2.01 0.00 0.00 34.83 36.74 3ie5 s MET 68 CO -0.02 -0.05 -0.08 -0.51 -0.01 0.00 0.00 175.02 174.35 3ie5 s LEU 69 N 0.30 3.02 0.05 -0.03 1.43 -0.25 -1.24 118.68 121.96 3ie5 s LEU 69 Ca -0.02 -0.20 0.09 0.00 -1.03 0.00 0.00 54.13 52.97 3ie5 s LEU 69 Cb -0.03 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 3ie5 s LEU 69 CO -0.01 0.19 -0.26 -1.00 0.23 0.00 0.00 176.35 175.50 3ie5 s HIS 70 N 0.23 2.34 -0.06 0.29 3.76 -0.89 -1.49 115.29 119.47 3ie5 s HIS 70 Ca -0.05 -0.40 0.05 0.00 -0.15 0.00 0.00 55.06 54.51 3ie5 s HIS 70 Cb -0.15 -1.38 -0.00 0.00 1.11 0.00 0.00 32.58 32.16 3ie5 s HIS 70 CO 0.04 0.16 -0.21 0.21 -0.85 0.00 0.00 174.74 174.08 3ie5 s LYS 71 N -1.34 2.30 -0.17 1.40 2.20 0.06 -1.01 119.74 123.19 3ie5 s LYS 71 Ca 0.12 -0.76 -0.29 0.00 -0.36 0.00 0.00 55.97 54.68 3ie5 s LYS 71 Cb -0.10 -1.91 -0.02 0.00 -1.51 0.00 0.00 37.83 34.29 3ie5 s LYS 71 CO 0.03 0.27 1.33 -0.06 -0.36 0.00 0.00 175.35 176.56 3ie5 s PHE 72 N 0.05 2.70 -0.11 4.03 0.08 -0.15 -0.97 117.98 123.61 3ie5 s PHE 72 Ca -0.07 0.88 -0.06 0.00 0.12 0.00 0.00 56.93 57.80 3ie5 s PHE 72 Cb -0.14 -3.61 -0.27 0.00 -0.57 0.00 0.00 43.02 38.44 3ie5 s PHE 72 CO 0.04 -2.01 0.42 -0.44 -0.10 0.00 0.00 175.22 173.13 3ie5 h ASP 73 N 8.55 0.42 -4.07 1.36 3.32 -1.23 -1.42 116.42 123.34 3ie5 h ASP 73 Ca -0.28 -0.90 -0.14 0.00 0.02 0.00 0.00 57.03 55.73 3ie5 h ASP 73 Cb 1.11 -0.14 -0.24 0.00 0.22 0.00 0.00 39.33 40.29 3ie5 h ASP 73 CO 0.97 1.80 -0.33 -1.61 -1.72 0.00 0.00 179.24 178.36 3ie5 s GLU 74 N -2.56 0.43 -0.06 3.56 2.02 -0.97 -4.75 118.70 116.35 3ie5 s GLU 74 Ca -0.21 0.32 -0.04 0.00 0.02 0.00 0.00 54.97 55.07 3ie5 s GLU 74 Cb 0.07 0.20 0.03 0.00 0.10 0.00 0.00 34.13 34.53 3ie5 s GLU 74 CO 0.78 -0.07 0.15 0.42 0.02 0.00 0.00 175.26 176.56 3ie5 s ILE 75 N -0.12 -0.03 -0.40 -1.63 1.01 -1.26 -1.26 121.20 117.50 3ie5 s ILE 75 Ca -0.03 0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.77 3ie5 s ILE 75 Cb -0.03 -0.24 0.15 0.00 0.01 0.00 0.00 42.46 42.36 3ie5 s ILE 75 CO 0.01 0.05 0.28 -0.62 0.00 0.00 0.00 174.94 174.66 3ie5 s ASP 76 N 0.86 2.60 0.28 3.58 2.15 0.48 -4.93 116.67 121.68 3ie5 s ASP 76 Ca -0.06 -2.66 -0.02 0.00 0.43 0.00 0.00 52.55 50.23 3ie5 s ASP 76 Cb -0.08 -0.57 0.38 0.00 -0.30 0.00 0.00 42.92 42.35 3ie5 s ASP 76 CO -0.04 -0.24 1.87 0.00 -0.17 0.00 0.00 175.17 176.58 3ie5 h ALA 77 N 6.38 1.26 0.00 3.66 0.00 -1.96 -1.60 119.26 126.99 3ie5 h ALA 77 Ca 0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3ie5 h ALA 77 Cb 0.93 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3ie5 h ALA 77 CO 0.36 0.56 -0.18 0.00 0.00 0.00 0.00 179.25 179.99 3ie5 h ALA 78 N 1.37 1.38 -0.64 0.00 0.00 -1.95 -1.49 119.26 117.92 3ie5 h ALA 78 Ca 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ie5 h ALA 78 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ie5 h ALA 78 CO -0.03 0.22 0.00 0.09 0.00 0.00 0.00 179.25 179.54 3ie5 n ASN 79 N -3.85 4.49 -3.86 0.00 3.02 -0.88 -4.97 115.26 109.21 3ie5 n ASN 79 Ca -0.02 -2.36 -0.27 0.00 -0.03 0.00 0.00 54.58 51.91 3ie5 n ASN 79 Cb 0.28 -0.54 0.02 0.00 -0.61 0.00 0.00 39.78 38.92 3ie5 n ASN 79 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3ie5 n PHE 80 N 1.14 -2.01 -5.09 3.10 3.72 -0.56 -4.52 117.46 113.24 3ie5 n PHE 80 Ca 0.25 0.85 -0.29 0.00 -0.05 0.00 0.00 57.45 58.21 3ie5 n PHE 80 Cb 0.82 -4.02 -0.16 0.00 -0.94 0.00 0.00 39.48 35.17 3ie5 n PHE 80 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3ie5 s TYR 81 N -3.55 2.09 -0.20 1.38 5.04 -0.66 -1.67 117.35 119.78 3ie5 s TYR 81 Ca 0.32 -0.55 -0.19 0.00 -2.44 0.00 0.00 57.07 54.21 3ie5 s TYR 81 Cb -0.16 -1.37 0.05 0.00 0.35 0.00 0.00 41.96 40.83 3ie5 s TYR 81 CO 0.84 -0.15 0.54 0.00 -1.34 0.00 0.00 175.55 175.44 3ie5 s LYS 83 N 0.26 3.38 0.05 0.00 2.20 -0.39 -0.49 119.74 124.76 3ie5 s LYS 83 Ca -0.00 -0.67 -0.00 0.00 -0.36 0.00 0.00 55.97 54.93 3ie5 s LYS 83 Cb -0.04 -2.72 -0.04 0.00 -1.51 0.00 0.00 37.83 33.52 3ie5 s LYS 83 CO 0.01 0.10 -0.04 1.52 -0.36 0.00 0.00 175.35 176.58 3ie5 s TYR 84 N 0.65 0.51 -0.06 4.03 -0.85 0.05 -0.65 117.35 121.03 3ie5 s TYR 84 Ca -0.06 -0.91 0.01 0.00 -0.52 0.00 0.00 57.07 55.59 3ie5 s TYR 84 Cb -0.15 -0.36 0.02 0.00 0.38 0.00 0.00 41.96 41.85 3ie5 s TYR 84 CO 0.02 -0.30 -0.05 0.99 -1.52 0.00 0.00 175.55 174.69 3ie5 s THR 85 N -3.23 0.67 -0.54 -3.49 2.01 -0.15 -0.46 115.64 110.45 3ie5 s THR 85 Ca 0.02 -0.17 -0.28 0.00 0.31 0.00 0.00 61.69 61.57 3ie5 s THR 85 Cb 0.03 -0.69 0.03 0.00 0.01 0.00 0.00 72.50 71.88 3ie5 s THR 85 CO -0.07 0.27 1.21 -0.22 -0.69 0.00 0.00 174.62 175.12 3ie5 s LEU 86 N 1.09 3.51 -0.00 4.42 2.96 0.43 -0.76 118.68 130.34 3ie5 s LEU 86 Ca -0.08 0.27 0.06 0.00 -0.22 0.00 0.00 54.13 54.16 3ie5 s LEU 86 Cb -0.14 -3.30 -0.07 0.00 0.50 0.00 0.00 46.19 43.18 3ie5 s LEU 86 CO -0.01 -1.43 0.22 2.22 -1.32 0.00 0.00 176.35 176.03 3ie5 n PHE 87 N 8.39 0.00 -3.79 5.38 -1.74 -0.56 -1.46 117.46 123.68 3ie5 n PHE 87 Ca 0.10 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.87 3ie5 n PHE 87 Cb 0.49 -0.04 -0.09 0.00 1.52 0.00 0.00 39.48 41.36 3ie5 n PHE 87 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 3ie5 s GLU 88 N -1.78 0.60 0.00 3.97 0.41 -1.22 -4.83 118.70 115.86 3ie5 s GLU 88 Ca 0.01 -0.23 0.00 0.00 -0.41 0.00 0.00 54.97 54.34 3ie5 s GLU 88 Cb 0.04 0.26 0.00 0.00 -1.78 0.00 0.00 34.13 32.66 3ie5 s GLU 88 CO 0.24 -0.16 0.00 0.41 -0.49 0.00 0.00 175.26 175.27 3ie5 n GLY 89 N 1.38 4.14 0.00 -1.39 0.00 -1.26 -1.09 105.19 106.97 3ie5 n GLY 89 Ca -0.22 -1.07 0.08 0.00 0.00 0.00 0.00 46.02 44.82 3ie5 n GLY 89 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ie5 n ASP 90 N 0.00 0.02 0.24 1.61 5.68 -1.17 -1.64 116.55 121.29 3ie5 n ASP 90 Ca 0.00 0.50 0.16 0.00 -0.50 0.00 0.00 54.79 54.96 3ie5 n ASP 90 Cb 0.00 -0.51 0.66 0.00 -1.14 0.00 0.00 41.12 40.14 3ie5 n ASP 90 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 3ie5 h VAL 91 N 0.00 0.00 -0.00 2.12 3.04 -1.92 -1.87 116.25 117.63 3ie5 h VAL 91 Ca 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 3ie5 h VAL 91 Cb 0.27 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 3ie5 h VAL 91 CO 0.00 0.00 -0.02 0.18 -1.01 0.00 0.00 177.57 176.72 3ie5 n LEU 92 N -2.85 0.02 0.00 3.16 4.77 -0.65 -4.99 117.00 116.45 3ie5 n LEU 92 Ca 0.01 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 3ie5 n LEU 92 Cb 0.27 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3ie5 n LEU 92 CO 0.25 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.85 3ie5 n ARG 93 N -1.50 0.00 0.01 3.23 1.74 -0.70 -2.47 116.66 116.97 3ie5 n ARG 93 Ca 0.07 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.26 3ie5 n ARG 93 Cb 0.34 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.67 3ie5 n ARG 93 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3ie5 n ASP 94 N -1.58 0.44 -0.02 0.55 8.00 -1.26 -4.64 116.55 118.04 3ie5 n ASP 94 Ca 0.00 -0.29 0.09 0.00 0.71 0.00 0.00 54.79 55.30 3ie5 n ASP 94 Cb 0.00 1.41 -0.17 0.00 -0.02 0.00 0.00 41.12 42.34 3ie5 n ASP 94 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3ie5 n ASN 95 N -2.02 0.11 -4.68 -2.24 6.94 -1.22 -4.87 115.26 107.28 3ie5 n ASN 95 Ca -0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 54.58 54.19 3ie5 n ASN 95 Cb 0.48 1.89 -0.09 0.00 -2.36 0.00 0.00 39.78 39.70 3ie5 n ASN 95 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3ie5 s ILE 96 N -3.40 5.37 -0.07 1.53 -1.09 -1.03 -0.85 121.20 121.67 3ie5 s ILE 96 Ca -0.08 0.18 -0.27 0.00 -2.23 0.00 0.00 60.65 58.26 3ie5 s ILE 96 Cb 0.13 -3.49 -0.22 0.00 -1.58 0.00 0.00 42.46 37.29 3ie5 s ILE 96 CO 0.88 0.37 1.04 -0.08 -1.23 0.00 0.00 174.94 175.92 3ie5 h GLU 97 N 7.32 -0.01 -2.52 2.79 4.57 -0.89 -3.44 114.58 122.41 3ie5 h GLU 97 Ca -0.39 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 57.88 3ie5 h GLU 97 Cb 1.17 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 29.63 3ie5 h GLU 97 CO 0.68 0.67 0.40 -1.59 -1.18 0.00 0.00 179.01 178.00 3ie5 s LYS 98 N -3.39 1.07 -0.10 1.92 -2.85 -1.16 -4.74 119.74 110.49 3ie5 s LYS 98 Ca -0.17 -0.46 0.02 0.00 -1.00 0.00 0.00 55.97 54.37 3ie5 s LYS 98 Cb -0.00 0.45 0.01 0.00 -2.06 0.00 0.00 37.83 36.23 3ie5 s LYS 98 CO 0.67 -0.47 -0.16 0.08 0.10 0.00 0.00 175.35 175.56 3ie5 s VAL 99 N -3.36 1.54 -0.14 1.79 1.01 -0.53 -1.38 120.40 119.33 3ie5 s VAL 99 Ca 0.06 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 3ie5 s VAL 99 Cb -0.01 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 3ie5 s VAL 99 CO -0.07 0.45 0.00 -0.69 0.00 0.00 0.00 175.10 174.79 3ie5 s VAL 100 N 0.84 4.27 -0.12 2.92 1.01 0.07 -0.43 120.40 128.97 3ie5 s VAL 100 Ca -0.09 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.68 3ie5 s VAL 100 Cb -0.15 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.36 3ie5 s VAL 100 CO 0.01 0.52 -0.21 -0.31 0.00 0.00 0.00 175.10 175.10 3ie5 s TYR 101 N -0.02 2.64 -0.19 5.22 1.51 0.39 -0.31 117.35 126.59 3ie5 s TYR 101 Ca 0.03 -1.10 0.01 0.00 -1.01 0.00 0.00 57.07 54.99 3ie5 s TYR 101 Cb -0.13 -1.77 0.04 0.00 -0.11 0.00 0.00 41.96 39.99 3ie5 s TYR 101 CO 0.02 -0.47 -0.11 -2.00 -1.11 0.00 0.00 175.55 171.88 3ie5 s GLU 102 N 0.54 2.05 -0.10 -0.62 2.12 -0.02 -0.77 118.70 121.91 3ie5 s GLU 102 Ca -0.13 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.42 3ie5 s GLU 102 Cb -0.17 -2.35 -0.02 0.00 0.26 0.00 0.00 34.13 31.85 3ie5 s GLU 102 CO 0.04 -0.39 -0.10 0.08 -0.54 0.00 0.00 175.26 174.35 3ie5 s VAL 103 N 1.42 3.42 -0.09 3.70 1.01 0.36 -1.31 120.40 128.91 3ie5 s VAL 103 Ca -0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 3ie5 s VAL 103 Cb -0.16 -2.42 0.05 0.00 0.00 0.00 0.00 36.38 33.86 3ie5 s VAL 103 CO -0.09 0.56 0.19 -0.75 0.00 0.00 0.00 175.10 175.00 3ie5 s LYS 104 N -0.24 0.07 0.24 2.72 2.47 -0.54 -1.60 119.74 122.87 3ie5 s LYS 104 Ca 0.02 0.58 0.08 0.00 -1.56 0.00 0.00 55.97 55.09 3ie5 s LYS 104 Cb -0.13 -0.20 -0.04 0.00 -1.46 0.00 0.00 37.83 36.00 3ie5 s LYS 104 CO 0.03 -0.28 0.08 -0.51 0.16 0.00 0.00 175.35 174.83 3ie5 s LEU 105 N 2.12 3.49 0.01 5.43 1.43 -0.67 -1.39 118.68 129.10 3ie5 s LEU 105 Ca 0.00 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 3ie5 s LEU 105 Cb -0.12 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 3ie5 s LEU 105 CO -0.07 0.01 -0.02 -1.61 0.23 0.00 0.00 176.35 174.89 3ie5 s GLU 106 N -3.56 0.21 0.25 1.70 2.02 -0.69 -4.63 118.70 114.00 3ie5 s GLU 106 Ca 0.31 -0.38 -0.30 0.00 0.02 0.00 0.00 54.97 54.63 3ie5 s GLU 106 Cb -0.08 0.03 -0.09 0.00 0.10 0.00 0.00 34.13 34.09 3ie5 s GLU 106 CO 0.22 -0.02 1.29 0.00 0.02 0.00 0.00 175.26 176.77 3ie5 s ALA 107 N -0.87 3.51 -0.25 5.21 0.00 -1.26 -1.01 121.76 127.10 3ie5 s ALA 107 Ca -0.09 1.14 -0.02 0.00 0.00 0.00 0.00 51.96 52.99 3ie5 s ALA 107 Cb -0.06 -3.47 0.08 0.00 0.00 0.00 0.00 23.12 19.67 3ie5 s ALA 107 CO -0.01 -0.53 0.07 0.08 0.00 0.00 0.00 175.76 175.37 3ie5 s VAL 108 N -0.44 0.59 0.00 0.00 1.01 -0.24 -4.80 120.40 116.51 3ie5 s VAL 108 Ca 0.53 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3ie5 s VAL 108 Cb -0.37 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.75 3ie5 s VAL 108 CO 0.43 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.71 3ie5 n GLY 109 N 5.00 3.38 0.18 4.51 0.00 -1.26 -0.90 105.19 116.10 3ie5 n GLY 109 Ca -0.06 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.04 3ie5 n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie5 n GLY 110 N 0.00 -0.76 0.00 -0.02 0.00 -1.26 -4.90 105.19 98.24 3ie5 n GLY 110 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3ie5 n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie5 n GLY 111 N 1.28 4.03 3.12 -0.02 0.00 -0.08 -3.44 105.19 110.08 3ie5 n GLY 111 Ca 0.14 -1.78 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 3ie5 n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ie5 s SER 112 N 0.33 0.35 -0.15 1.61 0.01 0.38 -1.08 113.70 115.15 3ie5 s SER 112 Ca 0.00 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.42 3ie5 s SER 112 Cb 0.00 0.23 0.03 0.00 0.21 0.00 0.00 66.02 66.49 3ie5 s SER 112 CO 0.00 -0.61 -0.10 -1.59 0.41 0.00 0.00 173.24 171.35 3ie5 s LYS 113 N -3.65 1.84 0.07 12.44 -2.85 -0.18 -1.17 119.74 126.25 3ie5 s LYS 113 Ca 0.04 -0.50 0.08 0.00 -1.00 0.00 0.00 55.97 54.59 3ie5 s LYS 113 Cb 0.05 -1.98 -0.04 0.00 -2.06 0.00 0.00 37.83 33.81 3ie5 s LYS 113 CO -0.09 -0.32 -0.18 0.20 0.10 0.00 0.00 175.35 175.06 3ie5 s GLY 114 N 1.57 1.63 -0.01 0.59 0.00 -0.14 -1.70 107.32 109.26 3ie5 s GLY 114 Ca 0.03 -1.26 0.03 0.00 0.00 0.00 0.00 44.72 43.51 3ie5 s GLY 114 CO -0.09 -1.19 -0.09 1.25 0.00 0.00 0.00 173.10 172.98 3ie5 s LYS 115 N -1.75 0.74 -0.00 2.90 2.20 -0.49 -1.48 119.74 121.86 3ie5 s LYS 115 Ca 0.16 -0.31 0.04 0.00 -0.36 0.00 0.00 55.97 55.49 3ie5 s LYS 115 Cb -0.11 -0.72 -0.01 0.00 -1.51 0.00 0.00 37.83 35.49 3ie5 s LYS 115 CO 0.07 0.18 -0.12 -1.50 -0.36 0.00 0.00 175.35 173.63 3ie5 s ILE 116 N -0.16 0.93 -0.17 5.43 2.07 -0.19 -1.47 121.20 127.65 3ie5 s ILE 116 Ca 0.03 -0.58 0.00 0.00 -1.41 0.00 0.00 60.65 58.69 3ie5 s ILE 116 Cb -0.04 -0.79 0.01 0.00 0.13 0.00 0.00 42.46 41.76 3ie5 s ILE 116 CO -0.00 0.21 -0.17 -0.89 -1.91 0.00 0.00 174.94 172.18 3ie5 s THR 117 N -0.38 2.42 -0.19 4.00 2.01 -0.43 -1.19 115.64 121.89 3ie5 s THR 117 Ca 0.04 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 3ie5 s THR 117 Cb -0.05 -2.03 0.01 0.00 0.01 0.00 0.00 72.50 70.44 3ie5 s THR 117 CO -0.00 0.52 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.61 3ie5 s VAL 118 N 1.13 2.53 -0.17 3.82 1.01 -0.22 -0.84 120.40 127.66 3ie5 s VAL 118 Ca 0.01 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.21 3ie5 s VAL 118 Cb -0.14 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.16 3ie5 s VAL 118 CO -0.06 0.50 -0.20 -0.89 0.00 0.00 0.00 175.10 174.45 3ie5 s THR 119 N 1.29 2.03 -0.13 3.92 2.01 0.57 -0.95 115.64 124.37 3ie5 s THR 119 Ca 0.04 -0.93 -0.20 0.00 0.31 0.00 0.00 61.69 60.91 3ie5 s THR 119 Cb -0.14 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 3ie5 s THR 119 CO -0.08 0.54 0.58 -0.31 -0.69 0.00 0.00 174.62 174.65 3ie5 s TYR 120 N 1.21 3.48 -0.34 4.92 2.02 0.30 -0.75 117.35 128.19 3ie5 s TYR 120 Ca 0.03 0.97 -0.05 0.00 -0.37 0.00 0.00 57.07 57.65 3ie5 s TYR 120 Cb -0.13 -2.69 0.05 0.00 -0.40 0.00 0.00 41.96 38.78 3ie5 s TYR 120 CO -0.11 0.03 0.10 -1.01 -1.57 0.00 0.00 175.55 172.99 3ie5 s HIS 121 N 1.11 3.28 0.63 2.71 3.76 -0.48 -1.18 115.29 125.12 3ie5 s HIS 121 Ca 0.29 -1.58 -0.16 0.00 -0.15 0.00 0.00 55.06 53.47 3ie5 s HIS 121 Cb -0.16 -2.33 -0.02 0.00 1.11 0.00 0.00 32.58 31.18 3ie5 s HIS 121 CO 0.12 -0.77 1.10 -2.14 -0.85 0.00 0.00 174.74 172.20 3ie5 s PRO 122 N 1.36 2.99 0.64 8.40 0.02 -1.26 -0.30 135.00 146.85 3ie5 s PRO 122 Ca -0.02 1.36 -0.17 0.00 0.02 0.00 0.00 61.00 62.19 3ie5 s PRO 122 Cb -0.20 -1.98 -0.01 0.00 0.02 0.00 0.00 34.50 32.34 3ie5 s PRO 122 CO 0.02 -1.10 1.19 0.15 -0.33 0.00 0.00 177.00 176.93 3ie5 s LYS 123 N -4.02 2.70 0.26 5.54 1.02 -0.03 -4.50 119.74 120.71 3ie5 s LYS 123 Ca 0.66 1.73 -0.31 0.00 0.02 0.00 0.00 55.97 58.07 3ie5 s LYS 123 Cb -0.20 -1.91 -0.13 0.00 -0.52 0.00 0.00 37.83 35.08 3ie5 s LYS 123 CO 0.39 -1.40 1.51 -2.30 -0.92 0.00 0.00 175.35 172.64 3ie5 n PRO 124 N -2.07 2.36 -0.66 -1.68 -0.02 -1.26 -0.36 135.00 131.31 3ie5 n PRO 124 Ca 0.13 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 3ie5 n PRO 124 Cb 0.50 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3ie5 n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ie5 n GLY 125 N 2.34 0.91 3.64 -1.23 0.00 -1.26 -5.03 105.19 104.56 3ie5 n GLY 125 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3ie5 n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie5 s THR 127 N -2.90 0.09 -0.15 0.00 -1.32 -1.26 -4.66 115.64 105.45 3ie5 s THR 127 Ca 0.23 -1.83 0.02 0.00 -1.21 0.00 0.00 61.69 58.89 3ie5 s THR 127 Cb 0.06 -2.03 0.02 0.00 -1.51 0.00 0.00 72.50 69.04 3ie5 s THR 127 CO 0.11 -0.42 -0.20 -0.69 -2.21 0.00 0.00 174.62 171.21 3ie5 s VAL 128 N -4.04 1.95 0.41 5.08 1.01 -1.26 -4.83 120.40 118.73 3ie5 s VAL 128 Ca 0.23 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 3ie5 s VAL 128 Cb 0.07 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 3ie5 s VAL 128 CO 0.02 0.53 0.67 0.54 0.00 0.00 0.00 175.10 176.86 3ie5 s ASN 129 N 1.08 6.29 0.36 3.32 2.20 -1.26 -4.98 114.94 121.96 3ie5 s ASN 129 Ca -0.01 0.72 0.11 0.00 -0.94 0.00 0.00 52.86 52.74 3ie5 s ASN 129 Cb -0.14 -2.15 0.87 0.00 -2.00 0.00 0.00 41.25 37.83 3ie5 s ASN 129 CO -0.07 -0.43 1.84 -0.08 -2.94 0.00 0.00 177.10 175.42 3ie5 h GLU 130 N 0.56 0.61 -0.36 3.55 4.81 -2.00 -2.56 114.58 119.19 3ie5 h GLU 130 Ca -0.48 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 58.61 3ie5 h GLU 130 Cb 1.21 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 3ie5 h GLU 130 CO 0.62 0.41 -0.21 1.49 -0.73 0.00 0.00 179.01 180.59 3ie5 h GLU 131 N 0.63 0.70 -0.47 1.92 4.81 -1.99 0.03 114.58 120.21 3ie5 h GLU 131 Ca 0.49 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 3ie5 h GLU 131 Cb 0.89 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 3ie5 h GLU 131 CO -0.24 0.85 0.17 0.93 -0.73 0.00 0.00 179.01 179.99 3ie5 h GLU 132 N 0.62 0.71 -0.40 1.92 5.08 -1.86 -1.55 114.58 119.09 3ie5 h GLU 132 Ca 0.09 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 3ie5 h GLU 132 Cb 0.69 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3ie5 h GLU 132 CO 0.05 0.66 -0.12 0.28 -1.00 0.00 0.00 179.01 178.88 3ie5 h VAL 133 N 0.61 1.26 -0.19 3.13 2.07 -1.25 -1.63 116.25 120.25 3ie5 h VAL 133 Ca 0.15 -1.16 -0.12 0.00 0.82 0.00 0.00 66.70 66.39 3ie5 h VAL 133 Cb 0.23 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3ie5 h VAL 133 CO -0.01 0.39 -0.41 0.11 0.02 0.00 0.00 177.57 177.68 3ie5 h LYS 134 N 0.66 0.43 -0.53 1.57 1.79 -0.72 0.20 116.57 119.97 3ie5 h LYS 134 Ca 0.11 -0.21 -0.06 0.00 -2.18 0.00 0.00 60.65 58.31 3ie5 h LYS 134 Cb 0.59 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 3ie5 h LYS 134 CO 0.04 0.77 0.11 0.82 -1.08 0.00 0.00 179.45 180.11 3ie5 h ILE 135 N 0.36 1.25 -0.68 1.86 2.04 -1.09 -1.93 117.51 119.32 3ie5 h ILE 135 Ca 0.03 -0.90 -0.05 0.00 1.00 0.00 0.00 64.86 64.94 3ie5 h ILE 135 Cb 0.87 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 3ie5 h ILE 135 CO 0.07 0.33 0.22 1.23 0.00 0.00 0.00 178.15 180.00 3ie5 h GLY 136 N 0.76 1.11 1.00 5.37 0.00 -0.41 -2.11 103.07 108.78 3ie5 h GLY 136 Ca 0.17 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 3ie5 h GLY 136 CO 0.00 0.59 0.35 -2.09 0.00 0.00 0.00 176.54 175.39 3ie5 h GLU 137 N 1.00 0.85 -0.25 4.80 4.81 -0.85 -1.07 114.58 123.86 3ie5 h GLU 137 Ca 0.22 -0.09 -0.11 0.00 -0.13 0.00 0.00 59.36 59.25 3ie5 h GLU 137 Cb 0.26 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 3ie5 h GLU 137 CO -0.01 0.63 -0.28 -0.22 -0.73 0.00 0.00 179.01 178.40 3ie5 h LYS 138 N 0.83 0.63 -0.76 1.92 3.64 -1.11 -0.57 116.57 121.15 3ie5 h LYS 138 Ca 0.22 -0.34 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3ie5 h LYS 138 Cb 0.02 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 3ie5 h LYS 138 CO -0.04 0.95 0.45 -0.22 -2.27 0.00 0.00 179.45 178.32 3ie5 h LYS 139 N 0.34 1.03 -0.34 1.90 3.64 -1.30 -1.12 116.57 120.73 3ie5 h LYS 139 Ca 0.04 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 3ie5 h LYS 139 Cb 0.85 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 3ie5 h LYS 139 CO 0.07 0.74 0.04 0.00 -2.27 0.00 0.00 179.45 178.03 3ie5 h ALA 140 N 1.23 0.46 -0.65 5.00 0.00 -1.03 -2.46 119.26 121.81 3ie5 h ALA 140 Ca 0.27 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3ie5 h ALA 140 Cb -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3ie5 h ALA 140 CO -0.05 0.18 0.14 -0.92 0.00 0.00 0.00 179.25 178.60 3ie5 h TYR 141 N 0.41 1.09 -0.55 0.00 3.20 -0.81 -0.53 116.97 119.78 3ie5 h TYR 141 Ca 0.10 -0.13 -0.10 0.00 3.14 0.00 0.00 58.73 61.74 3ie5 h TYR 141 Cb 0.38 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 3ie5 h TYR 141 CO 0.03 0.90 -0.06 0.93 -1.64 0.00 0.00 178.16 178.32 3ie5 h GLU 142 N 0.99 0.99 -0.36 1.82 5.08 -1.12 -0.75 114.58 121.23 3ie5 h GLU 142 Ca 0.20 -0.34 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 3ie5 h GLU 142 Cb 0.37 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3ie5 h GLU 142 CO 0.00 1.01 -0.08 0.35 -1.00 0.00 0.00 179.01 179.30 3ie5 h PHE 143 N 0.90 0.78 -0.32 4.33 3.57 -1.21 -1.04 116.94 123.95 3ie5 h PHE 143 Ca 0.15 -0.16 0.02 0.00 3.53 0.00 0.00 57.97 61.50 3ie5 h PHE 143 Cb 0.61 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 3ie5 h PHE 143 CO 0.04 0.84 0.18 -0.92 -2.23 0.00 0.00 178.31 176.22 3ie5 h TYR 144 N 0.49 0.33 -0.22 0.41 3.20 -0.79 -1.02 116.97 119.36 3ie5 h TYR 144 Ca 0.09 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.87 3ie5 h TYR 144 Cb 0.59 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 3ie5 h TYR 144 CO 0.05 0.19 -0.30 0.87 -1.64 0.00 0.00 178.16 177.33 3ie5 h LYS 145 N 0.36 0.44 -0.44 1.82 1.79 -1.02 -0.14 116.57 119.38 3ie5 h LYS 145 Ca 0.13 -0.18 0.02 0.00 -2.18 0.00 0.00 60.65 58.44 3ie5 h LYS 145 Cb 0.02 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 3ie5 h LYS 145 CO -0.07 0.70 0.25 1.96 -1.08 0.00 0.00 179.45 181.21 3ie5 h GLN 146 N 0.39 0.49 -0.23 3.15 4.20 -0.41 -1.28 115.11 121.41 3ie5 h GLN 146 Ca 0.05 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 3ie5 h GLN 146 Cb 0.72 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 3ie5 h GLN 146 CO 0.06 0.32 -0.18 0.28 -0.67 0.00 0.00 178.83 178.64 3ie5 h VAL 147 N 0.50 1.32 -0.71 -0.54 2.07 -0.95 -1.90 116.25 116.05 3ie5 h VAL 147 Ca 0.18 -1.32 0.02 0.00 0.82 0.00 0.00 66.70 66.40 3ie5 h VAL 147 Cb 0.04 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 3ie5 h VAL 147 CO -0.10 0.41 0.46 -0.08 0.02 0.00 0.00 177.57 178.28 3ie5 h GLU 148 N 0.22 0.88 -0.61 1.57 4.81 -0.88 -0.59 114.58 119.97 3ie5 h GLU 148 Ca 0.04 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 3ie5 h GLU 148 Cb 0.72 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 3ie5 h GLU 148 CO 0.05 0.58 0.12 1.49 -0.73 0.00 0.00 179.01 180.52 3ie5 h GLU 149 N 0.91 1.00 -0.50 1.92 4.81 -1.17 -1.55 114.58 120.00 3ie5 h GLU 149 Ca 0.27 -0.26 -0.11 0.00 -0.13 0.00 0.00 59.36 59.14 3ie5 h GLU 149 Cb -0.04 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3ie5 h GLU 149 CO -0.09 0.93 -0.11 -0.92 -0.73 0.00 0.00 179.01 178.09 3ie5 h TYR 150 N 0.91 1.03 -0.17 0.92 3.20 -0.83 -0.92 116.97 121.11 3ie5 h TYR 150 Ca 0.19 -0.20 -0.13 0.00 3.14 0.00 0.00 58.73 61.73 3ie5 h TYR 150 Cb 0.39 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 3ie5 h TYR 150 CO 0.03 0.97 -0.45 -0.07 -1.64 0.00 0.00 178.16 177.00 3ie5 h LEU 151 N 0.83 0.46 -0.59 2.82 3.38 -0.90 -1.14 115.31 120.16 3ie5 h LEU 151 Ca 0.13 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3ie5 h LEU 151 Cb 0.64 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3ie5 h LEU 151 CO 0.04 0.85 0.01 0.00 0.09 0.00 0.00 178.44 179.44 3ie5 h ALA 152 N 1.17 0.80 0.00 1.53 0.00 -1.04 -3.05 119.26 118.67 3ie5 h ALA 152 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3ie5 h ALA 152 Cb 0.93 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3ie5 h ALA 152 CO 0.08 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.95 3ie5 h ALA 153 N 0.98 1.00 -2.36 0.00 0.00 -0.78 -3.37 119.26 114.73 3ie5 h ALA 153 Ca 0.17 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.49 3ie5 h ALA 153 Cb 0.54 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.94 3ie5 h ALA 153 CO 0.03 0.00 -0.96 0.09 0.00 0.00 0.00 179.25 178.41 3ie5 n ASN 154 N -2.43 -0.03 0.30 0.00 3.02 -0.47 -5.00 115.26 110.66 3ie5 n ASN 154 Ca 0.04 -2.51 0.17 0.00 -0.03 0.00 0.00 54.58 52.25 3ie5 n ASN 154 Cb 0.39 -0.58 0.97 0.00 -0.61 0.00 0.00 39.78 39.94 3ie5 n ASN 154 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3ie5 h PRO 155 N 5.32 0.00 0.00 3.52 0.11 -1.74 -1.77 132.00 137.44 3ie5 h PRO 155 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3ie5 h PRO 155 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3ie5 h PRO 155 CO 0.42 0.02 0.00 1.05 -0.21 0.00 0.00 178.00 179.28 3ie5 h GLU 156 N 0.00 0.00 -6.27 1.05 9.09 -1.94 -3.39 114.58 113.12 3ie5 h GLU 156 Ca -0.00 0.00 -0.55 0.00 0.05 0.00 0.00 59.36 58.86 3ie5 h GLU 156 Cb 0.07 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.15 3ie5 h GLU 156 CO 0.00 0.00 0.93 0.08 0.05 0.00 0.00 179.01 180.07 3ie5 s VAL 157 N -3.53 3.86 -1.99 -1.06 1.01 -0.67 -2.29 120.40 115.74 3ie5 s VAL 157 Ca 0.03 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.13 3ie5 s VAL 157 Cb 0.08 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3ie5 s VAL 157 CO 0.56 -0.06 0.00 0.49 0.00 0.00 0.00 175.10 176.09 3ie5 n PHE 158 N 6.28 -0.30 0.20 5.22 3.72 -1.26 -5.00 117.46 126.31 3ie5 n PHE 158 Ca 0.15 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.56 3ie5 n PHE 158 Cb 0.44 -3.45 0.10 0.00 -0.94 0.00 0.00 39.48 35.63 3ie5 n PHE 158 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71