#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ikf n ASP 2 N 0.00 4.72 -4.82 6.12 2.03 -1.26 -4.99 116.55 118.35 3ikf n ASP 2 Ca 0.00 -2.97 -0.33 0.00 0.52 0.00 0.00 54.79 52.01 3ikf n ASP 2 Cb 0.00 -1.60 -0.07 0.00 -0.72 0.00 0.00 41.12 38.73 3ikf n ASP 2 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3ikf s PHE 3 N 2.19 3.37 0.01 -0.67 0.08 -1.26 -0.98 117.98 120.71 3ikf s PHE 3 Ca 0.45 1.56 -0.01 0.00 0.12 0.00 0.00 56.93 59.05 3ikf s PHE 3 Cb 0.08 -2.80 -0.01 0.00 -0.57 0.00 0.00 43.02 39.72 3ikf s PHE 3 CO -0.01 -0.03 -0.00 1.03 -0.10 0.00 0.00 175.22 176.11 3ikf s ARG 4 N -2.99 0.21 0.16 0.44 1.81 -0.22 -4.95 118.95 113.40 3ikf s ARG 4 Ca 0.59 -0.35 0.08 0.00 -1.72 0.00 0.00 55.73 54.33 3ikf s ARG 4 Cb -0.10 0.08 -0.04 0.00 -0.45 0.00 0.00 34.95 34.43 3ikf s ARG 4 CO 0.15 -0.03 -0.05 0.96 -0.68 0.00 0.00 175.30 175.65 3ikf s ILE 5 N -0.88 3.49 0.10 1.52 -4.36 -1.26 -1.06 121.20 118.75 3ikf s ILE 5 Ca -0.10 -1.47 0.00 0.00 -0.26 0.00 0.00 60.65 58.83 3ikf s ILE 5 Cb -0.06 -2.73 -0.04 0.00 1.25 0.00 0.00 42.46 40.88 3ikf s ILE 5 CO -0.00 -0.07 -0.02 -0.83 0.24 0.00 0.00 174.94 174.25 3ikf s GLY 6 N -2.77 0.77 0.02 6.27 0.00 -0.60 -3.93 107.32 107.07 3ikf s GLY 6 Ca 0.26 -1.36 -0.05 0.00 0.00 0.00 0.00 44.72 43.57 3ikf s GLY 6 CO 0.17 -1.40 0.08 -0.86 0.00 0.00 0.00 173.10 171.08 3ikf s GLN 7 N -3.92 0.49 0.02 2.90 1.03 -1.26 -1.51 119.66 117.42 3ikf s GLN 7 Ca 0.14 -0.61 -0.04 0.00 0.04 0.00 0.00 55.36 54.89 3ikf s GLN 7 Cb 0.07 0.19 -0.01 0.00 0.03 0.00 0.00 33.01 33.29 3ikf s GLN 7 CO -0.04 -0.11 0.06 0.20 -2.54 0.00 0.00 175.29 172.86 3ikf s GLY 8 N -1.74 0.15 -0.02 2.60 0.00 0.39 -3.79 107.32 104.92 3ikf s GLY 8 Ca -0.11 -0.41 -0.01 0.00 0.00 0.00 0.00 44.72 44.19 3ikf s GLY 8 CO -0.02 -0.52 0.04 -0.47 0.00 0.00 0.00 173.10 172.13 3ikf s TYR 9 N -1.70 -0.04 0.00 1.90 5.04 -1.26 -0.62 117.35 120.67 3ikf s TYR 9 Ca -0.13 0.11 -0.18 0.00 -2.44 0.00 0.00 57.07 54.43 3ikf s TYR 9 Cb -0.07 0.01 0.03 0.00 0.35 0.00 0.00 41.96 42.28 3ikf s TYR 9 CO -0.01 -0.02 0.38 0.34 -1.34 0.00 0.00 175.55 174.90 3ikf s ASP 10 N 0.04 -0.27 -0.05 4.32 2.15 -0.56 -4.65 116.67 117.65 3ikf s ASP 10 Ca -0.00 0.12 -0.05 0.00 0.43 0.00 0.00 52.55 53.05 3ikf s ASP 10 Cb -0.01 0.37 0.01 0.00 -0.30 0.00 0.00 42.92 43.00 3ikf s ASP 10 CO -0.00 -0.54 0.14 0.54 -0.17 0.00 0.00 175.17 175.14 3ikf s VAL 11 N -1.71 0.01 0.09 1.11 0.11 -1.26 -1.01 120.40 117.74 3ikf s VAL 11 Ca -0.10 -0.07 0.05 0.00 -2.93 0.00 0.00 61.98 58.93 3ikf s VAL 11 Cb -0.03 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.57 3ikf s VAL 11 CO 0.03 -0.04 -0.13 -1.00 -3.33 0.00 0.00 175.10 170.63 3ikf s HIS 12 N -0.06 1.23 0.40 1.54 3.76 -0.97 -5.00 115.29 116.19 3ikf s HIS 12 Ca -0.01 -0.53 -0.25 0.00 -0.15 0.00 0.00 55.06 54.12 3ikf s HIS 12 Cb -0.02 -0.67 -0.09 0.00 1.11 0.00 0.00 32.58 32.92 3ikf s HIS 12 CO 0.00 0.07 1.12 -0.65 -0.85 0.00 0.00 174.74 174.43 3ikf s GLN 13 N -2.22 4.09 -0.36 1.40 -0.21 -1.26 -1.41 119.66 119.69 3ikf s GLN 13 Ca 0.03 1.71 -0.16 0.00 0.02 0.00 0.00 55.36 56.96 3ikf s GLN 13 Cb -0.07 -2.63 -0.00 0.00 1.00 0.00 0.00 33.01 31.31 3ikf s GLN 13 CO 0.02 -0.25 0.38 -1.17 -2.12 0.00 0.00 175.29 172.15 3ikf s LEU 14 N -2.55 4.55 0.18 2.90 2.96 -0.59 -0.64 118.68 125.49 3ikf s LEU 14 Ca 0.57 -0.34 0.08 0.00 -0.22 0.00 0.00 54.13 54.22 3ikf s LEU 14 Cb -0.27 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 3ikf s LEU 14 CO 0.34 -0.40 -0.15 0.68 -1.32 0.00 0.00 176.35 175.50 3ikf s VAL 15 N 2.04 1.70 0.75 1.68 -7.23 0.50 -4.78 120.40 115.06 3ikf s VAL 15 Ca 0.12 -2.08 -0.14 0.00 -1.81 0.00 0.00 61.98 58.07 3ikf s VAL 15 Cb -0.17 -1.93 0.05 0.00 0.56 0.00 0.00 36.38 34.89 3ikf s VAL 15 CO 0.12 -0.51 1.16 -2.84 -0.31 0.00 0.00 175.10 172.72 3ikf s PRO 16 N -3.33 2.09 -0.09 4.82 0.02 -1.26 -0.63 135.00 136.62 3ikf s PRO 16 Ca 0.19 1.57 0.00 0.00 0.02 0.00 0.00 61.00 62.78 3ikf s PRO 16 Cb -0.02 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.65 3ikf s PRO 16 CO 0.06 -1.83 0.00 0.41 -0.33 0.00 0.00 177.00 175.31 3ikf n GLY 17 N -0.04 0.40 3.43 0.52 0.00 -1.26 -4.81 105.19 103.44 3ikf n GLY 17 Ca 0.12 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3ikf n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ikf s ARG 18 N -0.91 1.74 0.39 1.61 1.81 -1.26 -5.00 118.95 117.33 3ikf s ARG 18 Ca 0.00 -1.18 -0.26 0.00 -1.72 0.00 0.00 55.73 52.57 3ikf s ARG 18 Cb 0.00 -2.05 -0.09 0.00 -0.45 0.00 0.00 34.95 32.36 3ikf s ARG 18 CO 0.00 0.49 1.21 -2.14 -0.68 0.00 0.00 175.30 174.18 3ikf s PRO 19 N -1.85 4.08 -0.53 3.54 0.02 -1.26 -2.30 135.00 136.69 3ikf s PRO 19 Ca 0.15 1.94 -0.20 0.00 0.02 0.00 0.00 61.00 62.92 3ikf s PRO 19 Cb -0.10 -2.75 0.06 0.00 0.02 0.00 0.00 34.50 31.73 3ikf s PRO 19 CO 0.07 -0.33 0.68 -1.17 -0.33 0.00 0.00 177.00 175.92 3ikf s LEU 20 N -2.38 4.93 -0.22 -5.54 2.96 -1.26 -2.87 118.68 114.30 3ikf s LEU 20 Ca 0.56 -0.95 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 3ikf s LEU 20 Cb -0.33 -2.46 0.05 0.00 0.50 0.00 0.00 46.19 43.94 3ikf s LEU 20 CO 0.42 -0.98 -0.12 -0.63 -1.32 0.00 0.00 176.35 173.72 3ikf s ILE 21 N 2.82 1.89 -0.06 6.68 1.01 -1.26 -0.68 121.20 131.61 3ikf s ILE 21 Ca 0.16 -1.23 0.01 0.00 0.00 0.00 0.00 60.65 59.59 3ikf s ILE 21 Cb -0.19 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.35 3ikf s ILE 21 CO 0.12 0.15 -0.06 -0.63 0.00 0.00 0.00 174.94 174.51 3ikf s ILE 22 N 1.27 0.71 -1.82 2.92 1.01 -0.73 -4.01 121.20 120.57 3ikf s ILE 22 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.41 3ikf s ILE 22 Cb -0.17 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.58 3ikf s ILE 22 CO -0.08 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.74 3ikf n GLY 23 N 4.14 0.32 3.01 6.18 0.00 -1.26 -1.50 105.19 116.07 3ikf n GLY 23 Ca -0.22 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3ikf n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ikf n GLY 24 N -0.87 1.90 3.64 -0.02 0.00 -1.26 -4.45 105.19 104.13 3ikf n GLY 24 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 3ikf n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ikf s VAL 25 N -3.53 5.08 -0.38 1.61 1.01 -0.56 -5.04 120.40 118.59 3ikf s VAL 25 Ca 0.00 0.94 -0.29 0.00 0.00 0.00 0.00 61.98 62.63 3ikf s VAL 25 Cb 0.00 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.56 3ikf s VAL 25 CO 0.00 0.13 1.13 -0.89 0.00 0.00 0.00 175.10 175.47 3ikf s THR 26 N 1.96 4.34 -0.22 3.92 2.01 -1.26 -1.77 115.64 124.62 3ikf s THR 26 Ca 0.23 1.48 -0.08 0.00 0.31 0.00 0.00 61.69 63.63 3ikf s THR 26 Cb -0.15 -4.46 -0.04 0.00 0.01 0.00 0.00 72.50 67.86 3ikf s THR 26 CO 0.09 -0.69 0.10 -0.63 -0.69 0.00 0.00 174.62 172.80 3ikf s ILE 27 N 4.07 4.80 -0.01 1.82 1.01 0.15 -5.02 121.20 128.02 3ikf s ILE 27 Ca 0.48 -0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.81 3ikf s ILE 27 Cb -0.11 -3.22 -0.09 0.00 0.01 0.00 0.00 42.46 39.06 3ikf s ILE 27 CO 0.23 0.38 1.99 -2.65 0.00 0.00 0.00 174.94 174.89 3ikf n PRO 28 N 4.27 2.69 -3.59 2.79 -0.02 -1.26 -4.30 135.00 135.57 3ikf n PRO 28 Ca -0.16 0.97 -0.11 0.00 -2.02 0.00 0.00 63.50 62.18 3ikf n PRO 28 Cb 0.52 -2.98 -0.06 0.00 -0.02 0.00 0.00 33.50 30.96 3ikf n PRO 28 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3ikf s TYR 29 N 4.81 -0.45 -0.86 6.00 5.04 -1.26 -5.03 117.35 125.60 3ikf s TYR 29 Ca 0.91 0.90 0.20 0.00 -2.44 0.00 0.00 57.07 56.64 3ikf s TYR 29 Cb -0.46 0.41 0.83 0.00 0.35 0.00 0.00 41.96 43.09 3ikf s TYR 29 CO 0.43 -0.34 1.63 0.39 -1.34 0.00 0.00 175.55 176.31 3ikf n GLU 30 N 1.28 0.07 -4.39 4.97 4.71 -1.26 -4.76 120.64 121.25 3ikf n GLU 30 Ca -0.12 0.24 -0.19 0.00 -0.01 0.00 0.00 57.16 57.08 3ikf n GLU 30 Cb 0.57 -1.61 -0.10 0.00 -1.01 0.00 0.00 31.44 29.29 3ikf n GLU 30 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 3ikf s ARG 31 N -3.08 1.46 0.33 3.49 0.52 -1.26 -4.05 118.95 116.36 3ikf s ARG 31 Ca 0.08 -1.75 -0.00 0.00 -0.52 0.00 0.00 55.73 53.54 3ikf s ARG 31 Cb 0.11 -0.86 0.00 0.00 0.52 0.00 0.00 34.95 34.72 3ikf s ARG 31 CO 0.37 -0.06 0.43 0.41 0.02 0.00 0.00 175.30 176.47 3ikf n GLY 32 N -0.52 2.30 3.84 -3.53 0.00 0.19 -4.04 105.19 103.44 3ikf n GLY 32 Ca -0.05 -1.65 -0.37 0.00 0.00 0.00 0.00 46.02 43.94 3ikf n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ikf s LEU 33 N 0.00 4.45 -0.23 0.99 1.43 -1.14 -0.37 118.68 123.82 3ikf s LEU 33 Ca 0.29 0.98 -0.11 0.00 -1.03 0.00 0.00 54.13 54.27 3ikf s LEU 33 Cb -0.00 -2.73 -0.05 0.00 0.03 0.00 0.00 46.19 43.44 3ikf s LEU 33 CO 0.21 0.28 0.19 -0.22 0.23 0.00 0.00 176.35 177.04 3ikf s LEU 34 N -1.27 4.13 0.14 1.79 2.96 0.18 -4.73 118.68 121.89 3ikf s LEU 34 Ca 0.27 0.17 -0.24 0.00 -0.22 0.00 0.00 54.13 54.10 3ikf s LEU 34 Cb -0.16 -2.16 0.08 0.00 0.50 0.00 0.00 46.19 44.45 3ikf s LEU 34 CO 0.15 0.05 1.07 -0.83 -1.32 0.00 0.00 176.35 175.48 3ikf s GLY 35 N 1.02 -0.02 0.04 7.98 0.00 -1.26 -4.27 107.32 110.80 3ikf s GLY 35 Ca 0.09 -0.12 -0.24 0.00 0.00 0.00 0.00 44.72 44.45 3ikf s GLY 35 CO 0.05 2.07 1.51 0.84 0.00 0.00 0.00 173.10 177.57 3ikf h HIS 36 N 2.00 0.03 -1.61 1.90 2.76 -1.91 -3.44 115.15 114.89 3ikf h HIS 36 Ca -0.27 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.90 3ikf h HIS 36 Cb 1.22 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.17 3ikf h HIS 36 CO 1.08 0.26 0.00 -1.13 -1.30 0.00 0.00 177.93 176.84 3ikf n SER 37 N -4.95 0.00 0.00 3.26 3.41 -1.22 0.32 113.62 114.44 3ikf n SER 37 Ca -0.07 -0.28 0.06 0.00 -0.26 0.00 0.00 58.87 58.31 3ikf n SER 37 Cb 0.14 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.40 3ikf n SER 37 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3ikf n ASP 38 N -0.84 0.00 -1.26 4.04 5.68 -0.24 -4.28 116.55 119.65 3ikf n ASP 38 Ca 0.00 -0.18 -0.13 0.00 -0.50 0.00 0.00 54.79 53.98 3ikf n ASP 38 Cb 0.00 -0.10 -0.03 0.00 -1.14 0.00 0.00 41.12 39.85 3ikf n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ikf n ALA 39 N -1.10 -0.30 -2.08 2.12 0.00 -1.26 -4.68 120.51 113.21 3ikf n ALA 39 Ca 0.07 0.15 -0.33 0.00 0.00 0.00 0.00 53.44 53.33 3ikf n ALA 39 Cb 0.06 -1.50 -0.04 0.00 0.00 0.00 0.00 19.45 17.96 3ikf n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ikf s ASP 40 N -2.61 5.27 0.32 0.00 -1.08 -1.26 -4.81 116.67 112.50 3ikf s ASP 40 Ca 0.00 -0.26 0.01 0.00 -0.52 0.00 0.00 52.55 51.78 3ikf s ASP 40 Cb 0.00 -2.55 0.52 0.00 -1.46 0.00 0.00 42.92 39.44 3ikf s ASP 40 CO 0.00 -2.52 1.92 1.62 0.52 0.00 0.00 175.17 176.71 3ikf h VAL 41 N 7.05 1.19 -0.03 1.11 3.04 -1.92 -1.99 116.25 124.71 3ikf h VAL 41 Ca -0.07 -0.56 -0.01 0.00 -1.01 0.00 0.00 66.70 65.06 3ikf h VAL 41 Cb 1.07 0.46 -0.00 0.00 -2.01 0.00 0.00 31.29 30.82 3ikf h VAL 41 CO 1.22 0.23 -0.03 0.25 -1.01 0.00 0.00 177.57 178.24 3ikf h LEU 42 N 0.82 0.08 -1.36 3.16 5.85 -1.89 -2.18 115.31 119.78 3ikf h LEU 42 Ca 0.20 -0.47 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 3ikf h LEU 42 Cb 0.10 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3ikf h LEU 42 CO -0.03 0.53 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.45 3ikf h LEU 43 N -0.37 0.31 -0.44 2.25 3.38 -1.89 -1.75 115.31 116.80 3ikf h LEU 43 Ca 0.01 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3ikf h LEU 43 Cb 0.50 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3ikf h LEU 43 CO 0.01 0.43 0.02 0.45 0.09 0.00 0.00 178.44 179.44 3ikf h HIS 44 N 0.31 0.84 -0.72 1.13 3.86 -1.33 -0.43 115.15 118.81 3ikf h HIS 44 Ca 0.07 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 3ikf h HIS 44 Cb 0.35 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.56 3ikf h HIS 44 CO 0.01 0.81 0.39 0.00 0.86 0.00 0.00 177.93 180.00 3ikf h ALA 45 N 0.91 0.92 -0.46 2.45 0.00 -1.05 -0.13 119.26 121.91 3ikf h ALA 45 Ca 0.13 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3ikf h ALA 45 Cb 0.47 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3ikf h ALA 45 CO 0.02 0.43 -0.26 0.82 0.00 0.00 0.00 179.25 180.26 3ikf h ILE 46 N 0.99 1.27 -0.53 0.00 2.04 -1.19 -1.48 117.51 118.61 3ikf h ILE 46 Ca 0.25 -1.43 0.01 0.00 1.00 0.00 0.00 64.86 64.70 3ikf h ILE 46 Cb 0.04 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 3ikf h ILE 46 CO -0.04 0.49 0.34 0.74 0.00 0.00 0.00 178.15 179.67 3ikf h THR 47 N 0.83 1.10 -0.59 -0.27 2.02 -0.87 -1.07 112.91 114.05 3ikf h THR 47 Ca 0.10 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 3ikf h THR 47 Cb 0.84 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3ikf h THR 47 CO 0.07 0.12 0.31 0.44 0.37 0.00 0.00 175.52 176.84 3ikf h ASP 48 N 0.68 0.75 -1.00 4.18 3.32 -0.86 -1.12 116.42 122.36 3ikf h ASP 48 Ca 0.20 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.19 3ikf h ASP 48 Cb -0.03 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.27 3ikf h ASP 48 CO -0.07 0.64 0.66 0.00 -1.72 0.00 0.00 179.24 178.74 3ikf h ALA 49 N 1.14 1.34 -0.02 3.45 0.00 -0.76 -0.18 119.26 124.23 3ikf h ALA 49 Ca 0.21 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3ikf h ALA 49 Cb 0.06 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3ikf h ALA 49 CO -0.03 0.54 -0.05 -0.07 0.00 0.00 0.00 179.25 179.65 3ikf h LEU 50 N 1.26 0.08 -0.94 0.00 3.38 -0.88 -1.21 115.31 117.00 3ikf h LEU 50 Ca 0.40 -0.58 0.06 0.00 0.09 0.00 0.00 57.88 57.86 3ikf h LEU 50 Cb 0.02 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 3ikf h LEU 50 CO -0.13 0.64 0.60 -0.26 0.09 0.00 0.00 178.44 179.38 3ikf h PHE 51 N -0.48 1.11 -0.40 1.13 0.04 -1.15 -2.44 116.94 114.75 3ikf h PHE 51 Ca 0.00 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 3ikf h PHE 51 Cb 0.63 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 3ikf h PHE 51 CO 0.12 0.58 0.21 0.78 -0.60 0.00 0.00 178.31 179.41 3ikf h GLY 52 N 1.10 0.59 0.96 -1.45 0.00 -0.93 0.16 103.07 103.50 3ikf h GLY 52 Ca 0.40 -0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.48 3ikf h GLY 52 CO -0.17 0.26 0.65 0.00 0.00 0.00 0.00 176.54 177.29 3ikf h ALA 53 N 1.07 1.28 -0.02 3.60 0.00 -1.00 -2.36 119.26 121.83 3ikf h ALA 53 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ikf h ALA 53 Cb 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3ikf h ALA 53 CO -0.02 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.84 3ikf n ALA 54 N -2.37 2.64 -3.82 0.00 0.00 -0.94 -4.64 120.51 111.38 3ikf n ALA 54 Ca 0.12 -0.27 -0.29 0.00 0.00 0.00 0.00 53.44 53.01 3ikf n ALA 54 Cb 0.04 -1.36 0.01 0.00 0.00 0.00 0.00 19.45 18.14 3ikf n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ikf n ALA 55 N -0.58 -2.28 -0.41 0.00 0.00 -0.78 -4.94 120.51 111.51 3ikf n ALA 55 Ca 0.20 -0.27 0.05 0.00 0.00 0.00 0.00 53.44 53.43 3ikf n ALA 55 Cb 0.18 -2.75 0.14 0.00 0.00 0.00 0.00 19.45 17.02 3ikf n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ikf n LEU 56 N -4.33 2.87 0.00 0.00 4.77 0.50 -5.02 117.00 115.79 3ikf n LEU 56 Ca -0.20 -2.34 0.00 0.00 -0.03 0.00 0.00 56.01 53.43 3ikf n LEU 56 Cb 0.64 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3ikf n LEU 56 CO 0.71 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 178.04 3ikf n GLY 57 N -0.15 0.85 3.54 -0.72 0.00 -1.26 -4.96 105.19 102.49 3ikf n GLY 57 Ca 0.12 -1.27 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 3ikf n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ikf s ASP 58 N -4.00 -0.04 0.25 1.61 1.47 -1.26 -3.97 116.67 110.72 3ikf s ASP 58 Ca 0.00 -1.00 0.04 0.00 1.18 0.00 0.00 52.55 52.77 3ikf s ASP 58 Cb 0.00 0.56 0.29 0.00 -0.34 0.00 0.00 42.92 43.43 3ikf s ASP 58 CO 0.00 -1.11 1.59 -0.29 0.68 0.00 0.00 175.17 176.04 3ikf h ILE 59 N 2.29 1.36 0.00 2.11 2.10 -1.90 -2.03 117.51 121.44 3ikf h ILE 59 Ca -0.27 -1.83 -0.00 0.00 1.08 0.00 0.00 64.86 63.83 3ikf h ILE 59 Cb 1.25 1.88 -0.00 0.00 -1.09 0.00 0.00 36.82 38.86 3ikf h ILE 59 CO 0.38 0.55 -0.02 1.23 -1.08 0.00 0.00 178.15 179.20 3ikf h GLY 60 N 1.35 0.00 0.25 8.18 0.00 -1.97 0.59 103.07 111.47 3ikf h GLY 60 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.04 3ikf h GLY 60 CO 0.09 0.00 -1.62 -2.13 0.00 0.00 0.00 176.54 172.88 3ikf n ARG 61 N -4.04 0.65 -0.02 4.80 0.63 -1.01 -3.23 116.66 114.44 3ikf n ARG 61 Ca -0.03 0.44 -0.06 0.00 -0.92 0.00 0.00 57.85 57.28 3ikf n ARG 61 Cb 0.10 -1.72 0.14 0.00 0.45 0.00 0.00 32.46 31.43 3ikf n ARG 61 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3ikf h HIS 62 N -0.55 0.67 -2.05 -0.14 3.86 -1.29 -3.37 115.15 112.28 3ikf h HIS 62 Ca -0.39 -0.16 -0.56 0.00 -1.16 0.00 0.00 60.37 58.10 3ikf h HIS 62 Cb 1.62 -0.16 -0.40 0.00 1.06 0.00 0.00 27.41 29.53 3ikf h HIS 62 CO 0.08 0.81 -0.99 1.19 0.86 0.00 0.00 177.93 179.88 3ikf n PHE 63 N -4.09 0.76 -1.75 2.45 3.72 0.19 -5.09 117.46 113.65 3ikf n PHE 63 Ca -0.01 -3.74 -0.42 0.00 -0.05 0.00 0.00 57.45 53.23 3ikf n PHE 63 Cb 0.44 -0.41 -0.01 0.00 -0.94 0.00 0.00 39.48 38.57 3ikf n PHE 63 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3ikf n SER 64 N 1.04 3.52 0.00 4.37 2.88 -1.20 -4.63 113.62 119.60 3ikf n SER 64 Ca 0.24 1.21 0.14 0.00 -1.33 0.00 0.00 58.87 59.13 3ikf n SER 64 Cb 0.52 -1.58 0.82 0.00 -0.75 0.00 0.00 64.21 63.22 3ikf n SER 64 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3ikf n ASP 65 N 0.89 0.00 -0.00 -3.46 5.68 -1.26 -2.40 116.55 116.00 3ikf n ASP 65 Ca 0.04 -0.82 0.10 0.00 -0.50 0.00 0.00 54.79 53.61 3ikf n ASP 65 Cb 0.37 -0.02 -0.11 0.00 -1.14 0.00 0.00 41.12 40.22 3ikf n ASP 65 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3ikf n THR 66 N -1.02 0.01 -2.91 2.12 -2.24 -1.26 -4.87 114.28 104.11 3ikf n THR 66 Ca 0.20 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.43 3ikf n THR 66 Cb 0.10 0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 68.97 3ikf n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ikf s ASP 67 N -3.43 6.68 0.56 3.42 -1.08 -1.01 -4.95 116.67 116.86 3ikf s ASP 67 Ca 0.04 0.67 0.24 0.00 -0.52 0.00 0.00 52.55 52.98 3ikf s ASP 67 Cb 0.15 -2.42 1.53 0.00 -1.46 0.00 0.00 42.92 40.72 3ikf s ASP 67 CO 0.87 -0.67 2.15 1.55 0.52 0.00 0.00 175.17 179.59 3ikf h PRO 68 N 8.17 0.00 0.00 4.34 0.13 -1.91 -1.81 132.00 140.92 3ikf h PRO 68 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3ikf h PRO 68 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3ikf h PRO 68 CO 0.91 0.00 0.00 0.07 -0.23 0.00 0.00 178.00 178.75 3ikf h ARG 69 N 0.00 0.00 -0.68 0.86 0.11 -1.94 -1.11 114.38 111.62 3ikf h ARG 69 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 3ikf h ARG 69 Cb 0.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.33 3ikf h ARG 69 CO -0.00 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.26 3ikf n PHE 70 N -2.91 1.47 -2.21 4.08 3.72 -0.68 -4.78 117.46 116.15 3ikf n PHE 70 Ca -0.03 -0.60 -0.42 0.00 -0.05 0.00 0.00 57.45 56.35 3ikf n PHE 70 Cb 0.06 -0.22 -0.03 0.00 -0.94 0.00 0.00 39.48 38.36 3ikf n PHE 70 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3ikf s LYS 71 N -1.76 4.25 -0.58 -1.08 3.01 -0.42 -1.95 119.74 121.21 3ikf s LYS 71 Ca 0.52 1.96 0.00 0.00 -1.01 0.00 0.00 55.97 57.44 3ikf s LYS 71 Cb 0.33 -3.69 0.00 0.00 -1.01 0.00 0.00 37.83 33.46 3ikf s LYS 71 CO 0.26 -0.65 0.00 0.41 0.51 0.00 0.00 175.35 175.88 3ikf n GLY 72 N 3.74 0.60 3.64 -3.33 0.00 0.15 -4.90 105.19 105.09 3ikf n GLY 72 Ca 0.14 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3ikf n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ikf n ALA 73 N 1.10 0.54 -2.51 4.61 0.00 -0.82 -4.14 120.51 119.29 3ikf n ALA 73 Ca -0.05 0.29 -0.43 0.00 0.00 0.00 0.00 53.44 53.24 3ikf n ALA 73 Cb 0.46 -2.14 -0.02 0.00 0.00 0.00 0.00 19.45 17.75 3ikf n ALA 73 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ikf s ASP 74 N -0.59 6.78 0.30 0.00 -1.08 -1.26 -1.08 116.67 119.74 3ikf s ASP 74 Ca 0.61 1.14 0.26 0.00 -0.52 0.00 0.00 52.55 54.03 3ikf s ASP 74 Cb -0.57 -2.54 1.01 0.00 -1.46 0.00 0.00 42.92 39.35 3ikf s ASP 74 CO 0.59 -1.00 1.76 0.28 0.52 0.00 0.00 175.17 177.32 3ikf h SER 75 N 8.79 0.00 -0.24 -0.34 0.02 -1.96 -2.17 113.55 117.65 3ikf h SER 75 Ca -0.24 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.58 3ikf h SER 75 Cb 1.08 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.62 3ikf h SER 75 CO 1.03 0.00 -0.37 0.03 -1.14 0.00 0.00 176.83 176.39 3ikf h ARG 76 N 0.00 0.66 -0.98 3.45 3.08 -1.98 0.32 114.38 118.94 3ikf h ARG 76 Ca 0.00 -0.40 0.04 0.00 0.07 0.00 0.00 59.98 59.69 3ikf h ARG 76 Cb 0.45 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.48 3ikf h ARG 76 CO 0.00 1.01 0.64 0.00 -1.07 0.00 0.00 179.97 180.56 3ikf h ALA 77 N 0.64 1.38 -0.30 0.04 0.00 -1.81 0.06 119.26 119.26 3ikf h ALA 77 Ca 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3ikf h ALA 77 Cb 0.96 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3ikf h ALA 77 CO 0.08 0.52 0.06 -0.07 0.00 0.00 0.00 179.25 179.84 3ikf h LEU 78 N 1.22 0.47 -0.82 0.00 3.38 -1.35 -1.31 115.31 116.90 3ikf h LEU 78 Ca 0.40 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 58.13 3ikf h LEU 78 Cb 0.04 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3ikf h LEU 78 CO -0.13 0.59 0.55 0.25 0.09 0.00 0.00 178.44 179.79 3ikf h LEU 79 N 0.33 0.94 -1.02 1.67 5.85 -0.58 -0.35 115.31 122.15 3ikf h LEU 79 Ca 0.09 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 3ikf h LEU 79 Cb 0.31 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3ikf h LEU 79 CO 0.00 0.68 -0.04 0.03 -0.34 0.00 0.00 178.44 178.78 3ikf h ARG 80 N 1.11 0.66 -0.28 1.25 3.08 -0.83 -0.29 114.38 119.08 3ikf h ARG 80 Ca 0.30 -0.18 -0.13 0.00 0.07 0.00 0.00 59.98 60.04 3ikf h ARG 80 Cb -0.12 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.85 3ikf h ARG 80 CO -0.07 0.71 -0.35 1.49 -1.07 0.00 0.00 179.97 180.68 3ikf h GLU 81 N 0.62 0.73 -0.42 0.04 4.57 -0.77 -1.39 114.58 117.97 3ikf h GLU 81 Ca 0.12 -0.41 0.08 0.00 -1.18 0.00 0.00 59.36 57.97 3ikf h GLU 81 Cb 0.44 0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.98 3ikf h GLU 81 CO 0.02 1.04 -0.07 0.00 -1.18 0.00 0.00 179.01 178.82 3ikf h ALA 83 N 1.40 1.23 -0.67 0.00 0.00 -0.93 0.80 119.26 121.08 3ikf h ALA 83 Ca 0.20 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3ikf h ALA 83 Cb 0.31 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3ikf h ALA 83 CO -0.40 0.54 0.19 1.03 0.00 0.00 0.00 179.25 180.61 3ikf h SER 84 N 0.83 1.00 -0.41 0.00 0.87 -0.37 -0.96 113.55 114.50 3ikf h SER 84 Ca 0.19 -0.22 -0.11 0.00 -1.23 0.00 0.00 61.79 60.42 3ikf h SER 84 Cb 0.26 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3ikf h SER 84 CO -0.01 0.96 -0.17 0.03 -0.53 0.00 0.00 176.83 177.11 3ikf h ARG 85 N 0.99 0.84 -0.92 2.24 3.08 -0.01 -0.52 114.38 120.09 3ikf h ARG 85 Ca 0.21 -0.35 0.05 0.00 0.07 0.00 0.00 59.98 59.96 3ikf h ARG 85 Cb 0.33 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.29 3ikf h ARG 85 CO -0.00 0.99 0.59 0.28 -1.07 0.00 0.00 179.97 180.76 3ikf h VAL 86 N 0.66 1.11 -0.54 2.04 2.07 -0.77 0.11 116.25 120.93 3ikf h VAL 86 Ca 0.10 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 3ikf h VAL 86 Cb 0.72 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3ikf h VAL 86 CO 0.05 0.20 -0.01 0.00 0.02 0.00 0.00 177.57 177.83 3ikf h ALA 87 N 1.40 0.73 -0.15 1.67 0.00 -1.03 -1.12 119.26 120.76 3ikf h ALA 87 Ca 0.38 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3ikf h ALA 87 Cb 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ikf h ALA 87 CO -0.14 0.57 -0.23 0.37 0.00 0.00 0.00 179.25 179.82 3ikf h GLN 88 N 0.85 0.27 0.00 0.00 5.75 -0.25 -0.36 115.11 121.36 3ikf h GLN 88 Ca 0.15 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 3ikf h GLN 88 Cb 0.55 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.08 3ikf h GLN 88 CO 0.03 0.49 0.00 0.00 -2.65 0.00 0.00 178.83 176.70 3ikf n ALA 89 N -2.48 2.19 0.00 3.38 0.00 0.31 -4.91 120.51 119.00 3ikf n ALA 89 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3ikf n ALA 89 Cb 0.35 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3ikf n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ikf n GLY 90 N 0.75 1.01 3.83 0.00 0.00 -0.14 -5.08 105.19 105.56 3ikf n GLY 90 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 3ikf n GLY 90 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ikf s PHE 91 N -2.00 3.49 -0.12 1.61 0.08 -0.44 -4.43 117.98 116.16 3ikf s PHE 91 Ca 0.00 0.44 -0.07 0.00 0.12 0.00 0.00 56.93 57.42 3ikf s PHE 91 Cb 0.00 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 40.51 3ikf s PHE 91 CO 0.00 0.67 0.13 0.00 -0.10 0.00 0.00 175.22 175.92 3ikf s ALA 92 N -0.99 3.84 0.06 5.36 0.00 0.65 -3.89 121.76 126.79 3ikf s ALA 92 Ca 0.15 -0.65 -0.27 0.00 0.00 0.00 0.00 51.96 51.19 3ikf s ALA 92 Cb -0.12 -1.96 -0.05 0.00 0.00 0.00 0.00 23.12 20.99 3ikf s ALA 92 CO 0.04 0.59 0.84 0.42 0.00 0.00 0.00 175.76 177.65 3ikf s ILE 93 N -0.95 4.68 -0.24 0.00 1.01 -1.26 -1.16 121.20 123.27 3ikf s ILE 93 Ca 0.15 1.80 -0.03 0.00 0.00 0.00 0.00 60.65 62.57 3ikf s ILE 93 Cb -0.12 -4.19 -0.17 0.00 0.01 0.00 0.00 42.46 37.98 3ikf s ILE 93 CO 0.04 0.33 -0.17 0.54 0.00 0.00 0.00 174.94 175.68 3ikf n ARG 94 N 2.92 0.65 -3.51 2.79 5.12 0.60 -4.96 116.66 120.27 3ikf n ARG 94 Ca -0.00 0.20 -0.09 0.00 -1.93 0.00 0.00 57.85 56.02 3ikf n ARG 94 Cb 0.50 -1.55 -0.03 0.00 -1.16 0.00 0.00 32.46 30.23 3ikf n ARG 94 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3ikf s ASN 95 N -6.77 -0.40 -0.03 0.55 4.22 -1.08 -4.85 114.94 106.58 3ikf s ASN 95 Ca -0.34 0.09 0.03 0.00 -2.14 0.00 0.00 52.86 50.50 3ikf s ASN 95 Cb 0.10 0.40 0.00 0.00 1.28 0.00 0.00 41.25 43.03 3ikf s ASN 95 CO 0.60 -0.62 -0.11 -0.69 -2.04 0.00 0.00 177.10 174.25 3ikf s VAL 96 N -2.83 0.91 0.15 3.54 1.01 -0.36 -1.38 120.40 121.45 3ikf s VAL 96 Ca 0.03 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.64 3ikf s VAL 96 Cb -0.01 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 3ikf s VAL 96 CO -0.07 0.28 -0.16 -0.62 0.00 0.00 0.00 175.10 174.52 3ikf s ASP 97 N 0.11 2.38 0.19 3.32 2.15 -0.27 -1.01 116.67 123.54 3ikf s ASP 97 Ca -0.02 -0.86 -0.21 0.00 0.43 0.00 0.00 52.55 51.89 3ikf s ASP 97 Cb -0.09 -0.12 0.05 0.00 -0.30 0.00 0.00 42.92 42.47 3ikf s ASP 97 CO 0.01 -0.10 0.60 -0.94 -0.17 0.00 0.00 175.17 174.56 3ikf s SER 98 N -2.66 -0.43 -0.00 -0.34 1.04 -0.74 -0.70 113.70 109.87 3ikf s SER 98 Ca 0.14 -0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.35 3ikf s SER 98 Cb -0.05 0.61 -0.00 0.00 0.10 0.00 0.00 66.02 66.68 3ikf s SER 98 CO 0.05 -1.05 -0.06 -0.89 0.98 0.00 0.00 173.24 172.27 3ikf s THR 99 N -3.81 0.44 -0.10 2.02 2.01 -0.14 -1.17 115.64 114.90 3ikf s THR 99 Ca 0.05 -0.24 0.02 0.00 0.31 0.00 0.00 61.69 61.82 3ikf s THR 99 Cb -0.02 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 3ikf s THR 99 CO -0.07 0.13 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.21 3ikf s ILE 100 N -0.12 2.93 -0.20 1.82 1.01 0.85 -0.49 121.20 127.01 3ikf s ILE 100 Ca 0.02 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 3ikf s ILE 100 Cb -0.02 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.27 3ikf s ILE 100 CO -0.00 0.55 -0.14 -0.63 0.00 0.00 0.00 174.94 174.72 3ikf s ILE 101 N 0.01 2.52 -0.17 2.92 1.09 0.38 -0.48 121.20 127.46 3ikf s ILE 101 Ca -0.05 -0.86 -0.12 0.00 -1.10 0.00 0.00 60.65 58.53 3ikf s ILE 101 Cb -0.14 -2.13 0.05 0.00 -1.06 0.00 0.00 42.46 39.18 3ikf s ILE 101 CO 0.04 0.44 0.43 0.00 -0.10 0.00 0.00 174.94 175.76 3ikf s ALA 102 N 1.34 -1.10 0.19 9.38 0.00 -0.20 -2.14 121.76 129.23 3ikf s ALA 102 Ca 0.04 1.47 -0.09 0.00 0.00 0.00 0.00 51.96 53.38 3ikf s ALA 102 Cb -0.14 -0.88 0.11 0.00 0.00 0.00 0.00 23.12 22.21 3ikf s ALA 102 CO -0.09 -0.25 1.73 0.37 0.00 0.00 0.00 175.76 177.52 3ikf h GLN 103 N 6.55 1.10 -2.58 0.00 -0.00 -1.84 -3.36 115.11 114.97 3ikf h GLN 103 Ca -0.33 -0.24 -0.02 0.00 -0.00 0.00 0.00 58.65 58.06 3ikf h GLN 103 Cb 1.18 -0.16 -0.15 0.00 0.00 0.00 0.00 27.48 28.36 3ikf h GLN 103 CO 0.27 0.95 0.23 0.00 0.00 0.00 0.00 178.83 180.28 3ikf s ALA 104 N -5.39 -1.68 1.07 3.38 0.00 -1.26 -4.82 121.76 113.05 3ikf s ALA 104 Ca -0.12 0.83 -0.12 0.00 0.00 0.00 0.00 51.96 52.54 3ikf s ALA 104 Cb 0.14 0.52 0.18 0.00 0.00 0.00 0.00 23.12 23.96 3ikf s ALA 104 CO 0.84 -0.62 0.84 -0.35 0.00 0.00 0.00 175.76 176.46 3ikf n PRO 105 N 0.08 -1.53 -1.78 0.00 -0.04 -1.26 -5.06 135.00 125.41 3ikf n PRO 105 Ca -0.17 -1.31 -0.42 0.00 -0.04 0.00 0.00 63.50 61.56 3ikf n PRO 105 Cb 0.62 -1.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.05 3ikf n PRO 105 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3ikf s LYS 106 N -4.86 4.15 -0.02 0.54 -0.14 -1.26 -4.92 119.74 113.24 3ikf s LYS 106 Ca 0.50 2.53 0.18 0.00 -1.36 0.00 0.00 55.97 57.82 3ikf s LYS 106 Cb -0.03 -3.34 -0.25 0.00 -1.68 0.00 0.00 37.83 32.53 3ikf s LYS 106 CO 0.36 -0.76 0.49 1.28 -0.76 0.00 0.00 175.35 175.97 3ikf n LEU 107 N 4.81 0.24 -0.24 3.17 4.77 -1.26 -4.59 117.00 123.90 3ikf n LEU 107 Ca 0.16 -0.15 0.05 0.00 -0.03 0.00 0.00 56.01 56.04 3ikf n LEU 107 Cb 0.37 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.64 3ikf n LEU 107 CO 0.64 0.06 0.98 0.00 -1.33 0.00 0.00 177.39 177.74 3ikf h ALA 108 N 1.87 0.98 0.00 -1.18 0.00 -1.96 0.84 119.26 119.82 3ikf h ALA 108 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ikf h ALA 108 Cb 0.69 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3ikf h ALA 108 CO 0.00 -0.25 0.00 -2.30 0.00 0.00 0.00 179.25 176.70 3ikf n PRO 109 N -5.05 0.13 -0.00 0.00 -0.02 -1.26 -3.00 135.00 125.80 3ikf n PRO 109 Ca 0.13 0.63 0.04 0.00 -2.02 0.00 0.00 63.50 62.29 3ikf n PRO 109 Cb 0.41 -1.94 -0.05 0.00 -0.02 0.00 0.00 33.50 31.90 3ikf n PRO 109 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3ikf n HIS 110 N -2.23 0.00 -0.20 6.00 8.25 0.24 -4.70 115.22 122.59 3ikf n HIS 110 Ca -0.01 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3ikf n HIS 110 Cb 0.03 -0.03 0.10 0.00 1.12 0.00 0.00 29.99 31.21 3ikf n HIS 110 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3ikf h ILE 111 N 0.00 0.77 -0.62 1.59 1.08 -1.33 -1.80 117.51 117.19 3ikf h ILE 111 Ca 0.00 -0.13 -0.09 0.00 -0.39 0.00 0.00 64.86 64.24 3ikf h ILE 111 Cb 0.23 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 34.30 3ikf h ILE 111 CO 0.00 0.07 0.03 0.44 -0.69 0.00 0.00 178.15 178.00 3ikf h ASP 112 N 0.39 1.05 -0.84 1.72 3.32 -1.84 -0.54 116.42 119.67 3ikf h ASP 112 Ca 0.30 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3ikf h ASP 112 Cb 0.36 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 3ikf h ASP 112 CO -0.30 1.09 0.43 0.00 -1.72 0.00 0.00 179.24 178.74 3ikf h ALA 113 N 1.00 1.08 -0.14 3.45 0.00 -1.80 -0.73 119.26 122.13 3ikf h ALA 113 Ca 0.18 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ikf h ALA 113 Cb 0.53 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3ikf h ALA 113 CO 0.03 0.62 0.07 0.52 0.00 0.00 0.00 179.25 180.48 3ikf h MET 114 N 1.19 0.19 -0.48 0.00 2.86 -0.85 -1.54 114.93 116.30 3ikf h MET 114 Ca 0.29 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.96 3ikf h MET 114 Cb 0.07 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.65 3ikf h MET 114 CO -0.04 0.24 0.21 -0.09 1.06 0.00 0.00 176.91 178.29 3ikf h ARG 115 N 0.10 0.41 -0.76 1.72 1.12 -0.91 -1.61 114.38 114.45 3ikf h ARG 115 Ca 0.05 -0.02 0.07 0.00 -1.11 0.00 0.00 59.98 58.96 3ikf h ARG 115 Cb 0.10 -0.09 -0.06 0.00 -0.01 0.00 0.00 29.97 29.91 3ikf h ARG 115 CO -0.01 0.27 0.44 0.00 -3.11 0.00 0.00 179.97 177.57 3ikf h ALA 116 N 1.28 1.05 -0.16 2.80 0.00 -1.01 -0.36 119.26 122.86 3ikf h ALA 116 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3ikf h ALA 116 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3ikf h ALA 116 CO -0.18 0.13 0.04 -0.91 0.00 0.00 0.00 179.25 178.33 3ikf h ASN 117 N 0.79 0.23 -0.33 0.00 2.35 -0.59 -1.34 115.58 116.70 3ikf h ASN 117 Ca 0.35 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3ikf h ASN 117 Cb 0.23 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 3ikf h ASN 117 CO -0.20 0.40 0.19 0.40 -1.65 0.00 0.00 177.43 176.56 3ikf h ILE 118 N 0.06 1.13 -0.41 2.81 2.04 -1.16 0.05 117.51 122.04 3ikf h ILE 118 Ca 0.05 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.57 3ikf h ILE 118 Cb 0.25 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3ikf h ILE 118 CO -0.00 0.14 0.26 0.00 0.00 0.00 0.00 178.15 178.55 3ikf h ALA 119 N 1.05 0.52 -0.16 1.87 0.00 -1.01 0.17 119.26 121.71 3ikf h ALA 119 Ca 0.12 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3ikf h ALA 119 Cb 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3ikf h ALA 119 CO -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 179.25 179.18 3ikf h ALA 120 N 1.16 0.13 -0.10 0.00 0.00 -1.01 0.14 119.26 119.57 3ikf h ALA 120 Ca 0.16 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3ikf h ALA 120 Cb -0.04 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3ikf h ALA 120 CO -0.05 -0.46 -0.22 -0.44 0.00 0.00 0.00 179.25 178.09 3ikf h ASP 121 N 0.04 0.16 -0.08 0.00 3.32 -0.57 -2.27 116.42 117.01 3ikf h ASP 121 Ca 0.08 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3ikf h ASP 121 Cb 0.10 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3ikf h ASP 121 CO -0.14 0.39 0.00 0.18 -1.72 0.00 0.00 179.24 177.96 3ikf n LEU 122 N -4.21 2.31 -3.75 1.55 4.77 0.01 -4.59 117.00 113.09 3ikf n LEU 122 Ca -0.01 -0.83 -0.24 0.00 -0.03 0.00 0.00 56.01 54.91 3ikf n LEU 122 Cb 0.32 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.39 3ikf n LEU 122 CO 0.38 0.41 -0.11 -0.67 -1.33 0.00 0.00 177.39 176.08 3ikf n ASP 123 N 0.79 -1.66 -4.47 -1.43 2.03 -0.17 -4.97 116.55 106.67 3ikf n ASP 123 Ca 0.17 -0.89 -0.26 0.00 0.52 0.00 0.00 54.79 54.32 3ikf n ASP 123 Cb 0.47 -3.73 -0.11 0.00 -0.72 0.00 0.00 41.12 37.04 3ikf n ASP 123 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3ikf s LEU 124 N -6.68 2.58 0.69 -2.67 1.43 0.30 -5.03 118.68 109.30 3ikf s LEU 124 Ca 0.08 -0.84 -0.14 0.00 -1.03 0.00 0.00 54.13 52.20 3ikf s LEU 124 Cb -0.03 -1.26 0.02 0.00 0.03 0.00 0.00 46.19 44.95 3ikf s LEU 124 CO 0.84 0.10 1.10 -2.16 0.23 0.00 0.00 176.35 176.46 3ikf s PRO 125 N -2.90 2.65 0.47 1.29 0.04 -1.26 -4.44 135.00 130.85 3ikf s PRO 125 Ca 0.24 1.33 0.20 0.00 0.04 0.00 0.00 61.00 62.80 3ikf s PRO 125 Cb -0.07 -1.94 1.20 0.00 0.04 0.00 0.00 34.50 33.74 3ikf s PRO 125 CO 0.12 -1.36 1.95 -0.07 0.04 0.00 0.00 177.00 177.68 3ikf h LEU 126 N -0.30 0.22 0.00 -3.56 3.38 -1.93 -2.33 115.31 110.79 3ikf h LEU 126 Ca -0.46 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3ikf h LEU 126 Cb 1.24 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3ikf h LEU 126 CO 0.53 0.11 0.00 -0.90 0.09 0.00 0.00 178.44 178.28 3ikf n ASP 127 N -4.43 0.00 -0.76 -0.43 5.68 -1.26 -2.22 116.55 113.13 3ikf n ASP 127 Ca 0.13 -0.58 0.07 0.00 -0.50 0.00 0.00 54.79 53.91 3ikf n ASP 127 Cb 0.58 -0.05 0.19 0.00 -1.14 0.00 0.00 41.12 40.70 3ikf n ASP 127 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3ikf n ARG 128 N -1.05 2.92 -4.35 0.11 1.74 -0.87 -4.96 116.66 110.19 3ikf n ARG 128 Ca 0.16 -2.29 -0.21 0.00 -0.77 0.00 0.00 57.85 54.74 3ikf n ARG 128 Cb 0.09 -1.44 -0.16 0.00 -1.02 0.00 0.00 32.46 29.93 3ikf n ARG 128 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ikf s VAL 129 N -1.47 0.77 -0.01 1.55 1.01 -0.94 -1.22 120.40 120.08 3ikf s VAL 129 Ca 0.29 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3ikf s VAL 129 Cb 0.18 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.84 3ikf s VAL 129 CO 0.15 0.26 -0.03 0.21 0.00 0.00 0.00 175.10 175.69 3ikf s ASN 130 N 0.60 0.49 -0.08 3.32 2.47 -0.18 -4.96 114.94 116.61 3ikf s ASN 130 Ca -0.10 -0.07 0.02 0.00 0.42 0.00 0.00 52.86 53.13 3ikf s ASN 130 Cb -0.13 -0.12 0.01 0.00 -1.45 0.00 0.00 41.25 39.57 3ikf s ASN 130 CO 0.01 0.01 -0.12 -0.69 -3.72 0.00 0.00 177.10 172.59 3ikf s VAL 131 N 0.22 1.16 0.05 -5.21 1.01 -1.26 -1.79 120.40 114.58 3ikf s VAL 131 Ca -0.02 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.55 3ikf s VAL 131 Cb -0.05 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 3ikf s VAL 131 CO -0.00 0.37 -0.17 -0.54 0.00 0.00 0.00 175.10 174.75 3ikf s LYS 132 N 0.82 2.07 -0.05 2.72 1.02 -0.31 -4.98 119.74 121.03 3ikf s LYS 132 Ca -0.11 -0.99 0.04 0.00 0.02 0.00 0.00 55.97 54.92 3ikf s LYS 132 Cb -0.15 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 34.95 3ikf s LYS 132 CO 0.02 0.54 -0.16 0.00 -0.92 0.00 0.00 175.35 174.82 3ikf s ALA 133 N -0.97 1.46 0.27 5.17 0.00 -1.26 -0.10 121.76 126.32 3ikf s ALA 133 Ca 0.16 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.52 3ikf s ALA 133 Cb -0.11 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 3ikf s ALA 133 CO 0.06 0.23 0.22 -1.59 0.00 0.00 0.00 175.76 174.69 3ikf s LYS 134 N 0.19 1.49 0.44 0.00 -2.85 0.36 -4.94 119.74 114.44 3ikf s LYS 134 Ca -0.07 -1.81 0.08 0.00 -1.00 0.00 0.00 55.97 53.17 3ikf s LYS 134 Cb -0.12 0.31 0.01 0.00 -2.06 0.00 0.00 37.83 35.96 3ikf s LYS 134 CO 0.03 -0.53 0.50 0.95 0.10 0.00 0.00 175.35 176.40 3ikf s THR 135 N -3.79 2.66 -0.37 3.79 -4.23 -1.26 -1.03 115.64 111.41 3ikf s THR 135 Ca 0.39 -1.19 0.07 0.00 -1.18 0.00 0.00 61.69 59.79 3ikf s THR 135 Cb 0.04 -2.85 0.65 0.00 1.34 0.00 0.00 72.50 71.69 3ikf s THR 135 CO 0.20 0.00 1.73 -3.20 -0.54 0.00 0.00 174.62 172.81 3ikf n ASN 136 N -1.75 4.30 -4.10 3.99 5.15 -1.26 -4.81 115.26 116.77 3ikf n ASN 136 Ca 0.06 -3.18 -0.33 0.00 -0.60 0.00 0.00 54.58 50.53 3ikf n ASN 136 Cb 0.61 -0.75 -0.01 0.00 -0.53 0.00 0.00 39.78 39.10 3ikf n ASN 136 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3ikf n GLU 137 N -0.35 -3.89 -0.94 1.20 -0.58 -1.26 -1.58 120.64 113.25 3ikf n GLU 137 Ca 0.42 0.44 0.00 0.00 -0.42 0.00 0.00 57.16 57.60 3ikf n GLU 137 Cb 1.36 -5.14 0.00 0.00 -0.57 0.00 0.00 31.44 27.09 3ikf n GLU 137 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ikf n LYS 138 N -4.47 -0.66 -3.38 3.49 5.02 -1.26 -4.99 118.16 111.91 3ikf n LYS 138 Ca 0.01 0.17 -0.38 0.00 -2.02 0.00 0.00 58.31 56.09 3ikf n LYS 138 Cb 0.53 -3.78 -0.06 0.00 -0.02 0.00 0.00 35.03 31.70 3ikf n LYS 138 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ikf s LEU 139 N 0.00 4.39 0.00 -0.35 1.43 -0.61 -4.55 118.68 118.99 3ikf s LEU 139 Ca 0.00 0.94 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 3ikf s LEU 139 Cb 0.00 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.53 3ikf s LEU 139 CO 0.00 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.36 3ikf n GLY 140 N 2.47 -1.54 0.34 -3.19 0.00 -1.26 -1.46 105.19 100.53 3ikf n GLY 140 Ca -0.10 -1.22 0.16 0.00 0.00 0.00 0.00 46.02 44.85 3ikf n GLY 140 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3ikf h TYR 141 N 0.00 0.00 -0.15 1.61 -0.00 -1.97 -0.81 116.97 115.65 3ikf h TYR 141 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.73 58.66 3ikf h TYR 141 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 3ikf h TYR 141 CO 0.00 0.00 -0.18 -0.07 -0.00 0.00 0.00 178.16 177.91 3ikf h LEU 142 N 0.00 0.43 -2.16 0.10 3.38 -1.84 -1.03 115.31 114.18 3ikf h LEU 142 Ca 0.16 -0.50 0.03 0.00 0.09 0.00 0.00 57.88 57.66 3ikf h LEU 142 Cb 0.63 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3ikf h LEU 142 CO -0.00 0.84 0.10 1.23 0.09 0.00 0.00 178.44 180.70 3ikf h GLY 143 N 0.02 0.00 -0.42 0.83 0.00 -0.05 -1.18 103.07 102.27 3ikf h GLY 143 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3ikf h GLY 143 CO 0.04 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.12 3ikf n ARG 144 N -4.19 1.62 -2.14 4.80 1.74 -0.48 -4.76 116.66 113.26 3ikf n ARG 144 Ca -0.00 -0.91 -0.11 0.00 -0.77 0.00 0.00 57.85 56.06 3ikf n ARG 144 Cb 0.21 -1.46 -0.01 0.00 -1.02 0.00 0.00 32.46 30.19 3ikf n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ikf n GLY 145 N 1.15 0.02 0.14 -0.13 0.00 -0.45 -4.92 105.19 101.00 3ikf n GLY 145 Ca 0.19 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.89 3ikf n GLY 145 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ikf h GLU 146 N 0.00 0.00 -2.81 1.61 5.08 -1.40 -3.43 114.58 113.63 3ikf h GLU 146 Ca -0.25 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.19 3ikf h GLU 146 Cb 1.15 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.36 3ikf h GLU 146 CO 0.30 0.00 0.33 0.20 -1.00 0.00 0.00 179.01 178.84 3ikf s GLY 147 N -4.09 -0.02 -0.04 -3.84 0.00 -1.25 -1.55 107.32 96.54 3ikf s GLY 147 Ca 0.04 -0.30 0.03 0.00 0.00 0.00 0.00 44.72 44.50 3ikf s GLY 147 CO 0.72 0.07 -0.13 -0.42 0.00 0.00 0.00 173.10 173.34 3ikf s ILE 148 N -3.32 1.13 0.10 0.90 1.01 -0.50 -4.70 121.20 115.82 3ikf s ILE 148 Ca 0.13 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.30 3ikf s ILE 148 Cb -0.04 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 3ikf s ILE 148 CO 0.07 0.34 -0.07 -0.70 0.00 0.00 0.00 174.94 174.57 3ikf s GLU 149 N 0.18 2.25 0.04 2.79 2.12 -0.91 -2.30 118.70 122.87 3ikf s GLU 149 Ca -0.05 -0.97 0.04 0.00 0.36 0.00 0.00 54.97 54.34 3ikf s GLU 149 Cb -0.11 -2.37 -0.02 0.00 0.26 0.00 0.00 34.13 31.89 3ikf s GLU 149 CO 0.02 0.52 -0.11 0.00 -0.54 0.00 0.00 175.26 175.15 3ikf s ALA 150 N -1.25 0.85 0.12 6.30 0.00 -0.18 -0.47 121.76 127.13 3ikf s ALA 150 Ca 0.23 -0.77 0.07 0.00 0.00 0.00 0.00 51.96 51.49 3ikf s ALA 150 Cb -0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 3ikf s ALA 150 CO 0.15 0.10 -0.16 -0.65 0.00 0.00 0.00 175.76 175.20 3ikf s GLN 151 N -1.31 1.06 0.07 0.00 -0.21 0.36 -1.50 119.66 118.12 3ikf s GLN 151 Ca -0.04 -1.21 -0.16 0.00 0.02 0.00 0.00 55.36 53.98 3ikf s GLN 151 Cb -0.08 -1.08 0.03 0.00 1.00 0.00 0.00 33.01 32.88 3ikf s GLN 151 CO 0.01 0.23 0.37 0.00 -2.12 0.00 0.00 175.29 173.77 3ikf s ALA 152 N -1.77 -0.85 -0.00 6.09 0.00 0.21 -0.96 121.76 124.48 3ikf s ALA 152 Ca 0.08 0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.12 3ikf s ALA 152 Cb -0.07 0.43 -0.00 0.00 0.00 0.00 0.00 23.12 23.48 3ikf s ALA 152 CO 0.04 -0.49 -0.02 0.00 0.00 0.00 0.00 175.76 175.29 3ikf s ALA 153 N -2.90 0.15 -0.00 0.00 0.00 0.12 -0.47 121.76 118.66 3ikf s ALA 153 Ca -0.03 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.86 3ikf s ALA 153 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.09 3ikf s ALA 153 CO -0.05 0.03 -0.05 0.00 0.00 0.00 0.00 175.76 175.69 3ikf s ALA 154 N -0.09 0.40 -0.17 0.00 0.00 -0.57 -1.11 121.76 120.23 3ikf s ALA 154 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.73 3ikf s ALA 154 Cb -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 3ikf s ALA 154 CO -0.00 0.09 -0.04 -1.17 0.00 0.00 0.00 175.76 174.65 3ikf s LEU 155 N -0.09 3.19 0.34 0.00 2.96 -0.48 -1.56 118.68 123.04 3ikf s LEU 155 Ca 0.02 -0.17 0.05 0.00 -0.22 0.00 0.00 54.13 53.80 3ikf s LEU 155 Cb -0.02 -1.77 -0.07 0.00 0.50 0.00 0.00 46.19 44.83 3ikf s LEU 155 CO -0.00 0.14 0.03 0.68 -1.32 0.00 0.00 176.35 175.88 3ikf s VAL 156 N 0.55 1.43 -0.04 1.68 -7.23 -0.22 -0.30 120.40 116.27 3ikf s VAL 156 Ca -0.03 -2.02 -0.02 0.00 -1.81 0.00 0.00 61.98 58.10 3ikf s VAL 156 Cb -0.14 -2.80 0.02 0.00 0.56 0.00 0.00 36.38 34.02 3ikf s VAL 156 CO 0.03 -0.04 0.09 0.54 -0.31 0.00 0.00 175.10 175.41 3ikf s VAL 157 N -3.13 -0.02 -2.46 1.32 0.11 -0.31 -1.06 120.40 114.85 3ikf s VAL 157 Ca 0.35 0.08 0.28 0.00 -2.93 0.00 0.00 61.98 59.76 3ikf s VAL 157 Cb 0.08 -0.14 0.58 0.00 -1.53 0.00 0.00 36.38 35.37 3ikf s VAL 157 CO 0.16 0.03 1.79 -1.14 -3.33 0.00 0.00 175.10 172.60