#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ike n ASP 2 N 0.00 5.54 -4.83 6.12 2.03 -1.26 -5.02 116.55 119.13 3ike n ASP 2 Ca 0.00 -3.13 -0.32 0.00 0.52 0.00 0.00 54.79 51.86 3ike n ASP 2 Cb 0.00 -1.31 -0.03 0.00 -0.72 0.00 0.00 41.12 39.05 3ike n ASP 2 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3ike s PHE 3 N -1.62 3.35 -0.05 -0.67 0.08 -1.26 -1.53 117.98 116.27 3ike s PHE 3 Ca 0.31 1.50 -0.07 0.00 0.12 0.00 0.00 56.93 58.78 3ike s PHE 3 Cb -0.06 -2.84 0.02 0.00 -0.57 0.00 0.00 43.02 39.56 3ike s PHE 3 CO -0.05 -0.46 0.19 1.03 -0.10 0.00 0.00 175.22 175.83 3ike s ARG 4 N -3.91 0.30 0.20 0.44 1.81 -0.55 -4.96 118.95 112.29 3ike s ARG 4 Ca 0.60 0.10 0.07 0.00 -1.72 0.00 0.00 55.73 54.79 3ike s ARG 4 Cb -0.11 0.14 -0.04 0.00 -0.45 0.00 0.00 34.95 34.49 3ike s ARG 4 CO 0.29 -0.05 0.09 0.96 -0.68 0.00 0.00 175.30 175.90 3ike s ILE 5 N -0.28 4.11 0.07 1.52 -4.36 -1.26 -1.44 121.20 119.56 3ike s ILE 5 Ca -0.04 -1.36 0.01 0.00 -0.26 0.00 0.00 60.65 59.01 3ike s ILE 5 Cb -0.03 -3.13 -0.04 0.00 1.25 0.00 0.00 42.46 40.52 3ike s ILE 5 CO 0.01 -0.19 -0.06 -0.83 0.24 0.00 0.00 174.94 174.11 3ike s GLY 6 N -3.28 0.63 0.00 6.27 0.00 -0.57 -3.95 107.32 106.43 3ike s GLY 6 Ca 0.30 -1.18 0.01 0.00 0.00 0.00 0.00 44.72 43.85 3ike s GLY 6 CO 0.22 -1.27 -0.03 -0.86 0.00 0.00 0.00 173.10 171.16 3ike s GLN 7 N -3.32 0.24 0.12 2.90 1.03 -1.26 -1.86 119.66 117.51 3ike s GLN 7 Ca 0.05 -0.19 0.06 0.00 0.04 0.00 0.00 55.36 55.33 3ike s GLN 7 Cb 0.02 -0.18 -0.04 0.00 0.03 0.00 0.00 33.01 32.84 3ike s GLN 7 CO -0.05 0.05 -0.16 0.20 -2.54 0.00 0.00 175.29 172.79 3ike s GLY 8 N -0.30 1.11 -0.01 2.60 0.00 0.39 -4.04 107.32 107.07 3ike s GLY 8 Ca -0.01 -1.26 0.01 0.00 0.00 0.00 0.00 44.72 43.45 3ike s GLY 8 CO -0.00 -1.31 -0.01 -0.47 0.00 0.00 0.00 173.10 171.31 3ike s TYR 9 N -1.83 0.18 0.03 1.90 6.14 -1.26 -1.31 117.35 121.19 3ike s TYR 9 Ca 0.08 -0.02 -0.10 0.00 0.64 0.00 0.00 57.07 57.66 3ike s TYR 9 Cb -0.07 -0.15 0.01 0.00 0.42 0.00 0.00 41.96 42.17 3ike s TYR 9 CO 0.04 -0.02 0.21 0.34 0.64 0.00 0.00 175.55 176.76 3ike s ASP 10 N 0.12 -0.02 -0.09 4.32 2.15 -0.70 -4.69 116.67 117.76 3ike s ASP 10 Ca -0.01 -0.26 -0.13 0.00 0.43 0.00 0.00 52.55 52.58 3ike s ASP 10 Cb -0.03 0.29 0.03 0.00 -0.30 0.00 0.00 42.92 42.91 3ike s ASP 10 CO -0.00 -0.52 0.34 0.54 -0.17 0.00 0.00 175.17 175.36 3ike s VAL 11 N -2.19 0.02 0.03 1.11 0.11 -1.26 -1.12 120.40 117.10 3ike s VAL 11 Ca -0.08 -0.15 0.01 0.00 -2.93 0.00 0.00 61.98 58.83 3ike s VAL 11 Cb -0.03 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.26 3ike s VAL 11 CO -0.02 -0.08 -0.05 -1.00 -3.33 0.00 0.00 175.10 170.62 3ike s HIS 12 N -0.31 0.43 0.43 1.54 3.76 -0.83 -4.98 115.29 115.33 3ike s HIS 12 Ca -0.04 -0.56 -0.24 0.00 -0.15 0.00 0.00 55.06 54.07 3ike s HIS 12 Cb -0.03 -0.28 -0.08 0.00 1.11 0.00 0.00 32.58 33.29 3ike s HIS 12 CO 0.02 -0.16 1.12 -0.65 -0.85 0.00 0.00 174.74 174.21 3ike s GLN 13 N -1.68 3.95 -0.44 1.40 -0.21 -1.26 -1.31 119.66 120.12 3ike s GLN 13 Ca -0.12 1.67 -0.23 0.00 0.02 0.00 0.00 55.36 56.69 3ike s GLN 13 Cb -0.09 -2.48 0.02 0.00 1.00 0.00 0.00 33.01 31.46 3ike s GLN 13 CO -0.01 -0.36 0.81 -0.51 -2.12 0.00 0.00 175.29 173.10 3ike s LEU 14 N -2.82 4.19 0.25 2.90 1.43 0.35 -1.32 118.68 123.66 3ike s LEU 14 Ca 0.61 -0.00 0.12 0.00 -1.03 0.00 0.00 54.13 53.82 3ike s LEU 14 Cb -0.26 -3.01 -0.05 0.00 0.03 0.00 0.00 46.19 42.90 3ike s LEU 14 CO 0.32 -0.91 -0.20 0.68 0.23 0.00 0.00 176.35 176.47 3ike s VAL 15 N 3.34 2.53 0.49 -1.59 -7.23 0.48 -4.87 120.40 113.54 3ike s VAL 15 Ca 0.31 -2.24 -0.23 0.00 -1.81 0.00 0.00 61.98 58.02 3ike s VAL 15 Cb -0.12 -2.29 -0.07 0.00 0.56 0.00 0.00 36.38 34.46 3ike s VAL 15 CO 0.22 -0.30 1.23 -2.84 -0.31 0.00 0.00 175.10 173.10 3ike s PRO 16 N -3.25 3.55 -1.42 4.82 0.02 -1.26 -0.86 135.00 136.60 3ike s PRO 16 Ca 0.27 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.23 3ike s PRO 16 Cb -0.06 -2.36 0.00 0.00 0.02 0.00 0.00 34.50 32.10 3ike s PRO 16 CO 0.14 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.45 3ike n GLY 17 N 0.55 0.08 3.48 0.52 0.00 -1.25 -4.85 105.19 103.72 3ike n GLY 17 Ca 0.08 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 3ike n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ike s ARG 18 N -4.51 2.01 0.33 1.61 1.81 -1.25 -5.00 118.95 113.96 3ike s ARG 18 Ca 0.00 -1.03 -0.25 0.00 -1.72 0.00 0.00 55.73 52.73 3ike s ARG 18 Cb 0.00 -2.19 -0.10 0.00 -0.45 0.00 0.00 34.95 32.21 3ike s ARG 18 CO 0.00 0.52 0.94 -1.25 -0.68 0.00 0.00 175.30 174.83 3ike s PRO 19 N -1.71 4.52 -0.55 3.54 0.04 -1.26 -2.52 135.00 137.06 3ike s PRO 19 Ca 0.16 1.28 -0.22 0.00 0.04 0.00 0.00 61.00 62.27 3ike s PRO 19 Cb -0.11 -2.72 0.05 0.00 0.04 0.00 0.00 34.50 31.77 3ike s PRO 19 CO 0.07 0.24 0.81 -1.17 0.04 0.00 0.00 177.00 177.00 3ike s LEU 20 N -2.21 4.53 -0.26 -3.56 2.96 -1.26 -3.67 118.68 115.22 3ike s LEU 20 Ca 0.52 -0.71 0.01 0.00 -0.22 0.00 0.00 54.13 53.73 3ike s LEU 20 Cb -0.17 -2.60 0.05 0.00 0.50 0.00 0.00 46.19 43.97 3ike s LEU 20 CO 0.22 -1.13 -0.09 -0.63 -1.32 0.00 0.00 176.35 173.40 3ike s ILE 21 N 3.40 2.41 -0.06 6.68 1.01 -1.26 -0.49 121.20 132.88 3ike s ILE 21 Ca 0.22 -1.41 0.02 0.00 0.00 0.00 0.00 60.65 59.48 3ike s ILE 21 Cb -0.16 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 39.99 3ike s ILE 21 CO 0.15 0.06 -0.11 -0.63 0.00 0.00 0.00 174.94 174.41 3ike s ILE 22 N 1.18 1.06 -1.42 2.92 1.01 -0.44 -4.15 121.20 121.37 3ike s ILE 22 Ca -0.05 -0.43 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 3ike s ILE 22 Cb -0.19 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 41.31 3ike s ILE 22 CO -0.05 0.34 0.26 0.61 0.00 0.00 0.00 174.94 176.09 3ike n GLY 23 N 3.89 -0.50 2.74 6.18 0.00 -1.26 -1.10 105.19 115.13 3ike n GLY 23 Ca -0.23 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3ike n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ike n GLY 24 N -1.12 2.69 3.60 -0.02 0.00 -1.26 -4.28 105.19 104.80 3ike n GLY 24 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3ike n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ike s VAL 25 N -2.70 5.01 -0.01 1.61 1.01 -0.26 -5.05 120.40 120.01 3ike s VAL 25 Ca 0.00 0.77 -0.30 0.00 0.00 0.00 0.00 61.98 62.45 3ike s VAL 25 Cb 0.00 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 3ike s VAL 25 CO 0.00 -0.06 1.45 -0.89 0.00 0.00 0.00 175.10 175.60 3ike s THR 26 N 2.44 3.65 -0.06 3.92 2.01 -1.26 -1.32 115.64 125.03 3ike s THR 26 Ca 0.22 1.01 0.05 0.00 0.31 0.00 0.00 61.69 63.29 3ike s THR 26 Cb -0.15 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 3ike s THR 26 CO 0.11 -0.02 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.17 3ike s ILE 27 N 2.66 1.87 0.01 1.82 1.01 0.35 -5.01 121.20 123.92 3ike s ILE 27 Ca 0.65 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 60.05 3ike s ILE 27 Cb -0.32 -1.59 -0.07 0.00 0.01 0.00 0.00 42.46 40.48 3ike s ILE 27 CO 0.27 0.52 1.74 -2.16 0.00 0.00 0.00 174.94 175.31 3ike s PRO 28 N -0.03 4.17 -0.16 2.79 0.04 -1.26 -4.01 135.00 136.54 3ike s PRO 28 Ca -0.06 2.35 -0.29 0.00 0.04 0.00 0.00 61.00 63.05 3ike s PRO 28 Cb -0.14 -3.92 0.10 0.00 0.04 0.00 0.00 34.50 30.58 3ike s PRO 28 CO 0.04 -0.84 0.85 -0.47 0.04 0.00 0.00 177.00 176.62 3ike s TYR 29 N 3.73 -0.55 0.54 0.56 5.04 -1.26 -4.99 117.35 120.42 3ike s TYR 29 Ca 0.78 1.10 0.23 0.00 -2.44 0.00 0.00 57.07 56.74 3ike s TYR 29 Cb -0.38 0.39 1.41 0.00 0.35 0.00 0.00 41.96 43.73 3ike s TYR 29 CO 0.34 -0.42 2.07 1.05 -1.34 0.00 0.00 175.55 177.25 3ike h GLU 30 N 3.39 0.00 -5.35 4.97 4.11 -1.93 -3.44 114.58 116.33 3ike h GLU 30 Ca -0.25 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 58.68 3ike h GLU 30 Cb 1.16 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.27 3ike h GLU 30 CO 0.26 0.00 -0.62 1.03 0.07 0.00 0.00 179.01 179.75 3ike s ARG 31 N -4.96 1.70 0.27 1.06 0.52 -1.26 -3.81 118.95 112.47 3ike s ARG 31 Ca -0.05 -1.93 0.01 0.00 -0.52 0.00 0.00 55.73 53.24 3ike s ARG 31 Cb 0.18 -1.06 -0.00 0.00 0.52 0.00 0.00 34.95 34.59 3ike s ARG 31 CO 0.67 -0.13 0.33 0.41 0.02 0.00 0.00 175.30 176.61 3ike n GLY 32 N -0.73 2.61 3.72 -3.53 0.00 -0.04 -4.10 105.19 103.13 3ike n GLY 32 Ca -0.03 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 3ike n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ike s LEU 33 N 0.00 4.31 -0.14 0.99 1.43 -1.24 -0.39 118.68 123.65 3ike s LEU 33 Ca 0.26 1.06 -0.21 0.00 -1.03 0.00 0.00 54.13 54.21 3ike s LEU 33 Cb 0.00 -2.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 3ike s LEU 33 CO 0.19 -0.06 0.59 -0.22 0.23 0.00 0.00 176.35 177.08 3ike s LEU 34 N 0.65 4.23 0.15 1.79 2.96 -0.44 -4.62 118.68 123.40 3ike s LEU 34 Ca 0.33 0.92 -0.25 0.00 -0.22 0.00 0.00 54.13 54.91 3ike s LEU 34 Cb -0.17 -2.87 0.07 0.00 0.50 0.00 0.00 46.19 43.72 3ike s LEU 34 CO 0.15 -0.14 1.01 -0.83 -1.32 0.00 0.00 176.35 175.23 3ike s GLY 35 N 0.90 -0.17 0.28 7.98 0.00 -1.26 -4.19 107.32 110.87 3ike s GLY 35 Ca 0.30 0.07 0.10 0.00 0.00 0.00 0.00 44.72 45.19 3ike s GLY 35 CO 0.12 0.56 1.64 0.45 0.00 0.00 0.00 173.10 175.87 3ike h HIS 36 N 2.00 0.02 -2.15 1.90 -0.00 -2.00 -3.44 115.15 111.49 3ike h HIS 36 Ca -0.26 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.11 3ike h HIS 36 Cb 1.22 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.63 3ike h HIS 36 CO 0.61 0.59 0.00 -1.13 -0.00 0.00 0.00 177.93 178.00 3ike n SER 37 N -3.85 0.00 0.00 2.45 3.41 -1.26 -4.95 113.62 109.42 3ike n SER 37 Ca -0.01 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.64 3ike n SER 37 Cb 0.59 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.81 3ike n SER 37 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3ike n ASP 38 N 0.00 0.00 -2.56 4.04 5.68 -1.26 -4.88 116.55 117.57 3ike n ASP 38 Ca 0.00 -0.60 -0.16 0.00 -0.50 0.00 0.00 54.79 53.54 3ike n ASP 38 Cb 0.00 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3ike n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ike n ALA 39 N -0.83 -0.79 -1.80 2.12 0.00 -1.26 -4.72 120.51 113.24 3ike n ALA 39 Ca 0.07 0.12 -0.24 0.00 0.00 0.00 0.00 53.44 53.39 3ike n ALA 39 Cb 0.03 -1.90 -0.05 0.00 0.00 0.00 0.00 19.45 17.53 3ike n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ike s ASP 40 N -2.14 4.56 0.25 0.00 -1.08 -1.26 -4.82 116.67 112.18 3ike s ASP 40 Ca 0.06 -0.06 -0.06 0.00 -0.52 0.00 0.00 52.55 51.97 3ike s ASP 40 Cb -0.03 -2.55 0.26 0.00 -1.46 0.00 0.00 42.92 39.15 3ike s ASP 40 CO 0.07 -3.18 1.88 1.62 0.52 0.00 0.00 175.17 176.08 3ike h VAL 41 N 7.44 1.25 -0.11 1.11 3.04 -1.90 -1.29 116.25 125.80 3ike h VAL 41 Ca -0.02 -0.59 -0.01 0.00 -1.01 0.00 0.00 66.70 65.07 3ike h VAL 41 Cb 1.05 0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.35 3ike h VAL 41 CO 1.12 0.28 0.05 0.25 -1.01 0.00 0.00 177.57 178.26 3ike h LEU 42 N 1.24 0.15 -1.12 3.16 5.85 -1.89 -2.67 115.31 120.04 3ike h LEU 42 Ca 0.32 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 3ike h LEU 42 Cb -0.01 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3ike h LEU 42 CO -0.05 0.25 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.99 3ike h LEU 43 N 0.05 0.33 -0.60 2.25 3.38 -1.88 -2.21 115.31 116.63 3ike h LEU 43 Ca 0.04 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3ike h LEU 43 Cb 0.14 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3ike h LEU 43 CO -0.00 0.57 0.16 0.45 0.09 0.00 0.00 178.44 179.71 3ike h HIS 44 N 0.30 1.00 -0.48 1.13 3.86 -1.19 -0.15 115.15 119.62 3ike h HIS 44 Ca 0.05 -0.11 -0.13 0.00 -1.16 0.00 0.00 60.37 59.01 3ike h HIS 44 Cb 0.58 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 3ike h HIS 44 CO 0.01 0.84 -0.21 0.00 0.86 0.00 0.00 177.93 179.43 3ike h ALA 45 N 1.04 0.71 -0.34 2.45 0.00 -1.15 -0.61 119.26 121.36 3ike h ALA 45 Ca 0.19 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3ike h ALA 45 Cb 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ike h ALA 45 CO -0.00 0.67 -0.04 0.82 0.00 0.00 0.00 179.25 180.70 3ike h ILE 46 N 0.85 1.27 0.01 0.00 2.04 -1.33 -0.13 117.51 120.22 3ike h ILE 46 Ca 0.11 -1.07 0.03 0.00 1.00 0.00 0.00 64.86 64.93 3ike h ILE 46 Cb 0.79 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.09 3ike h ILE 46 CO 0.07 0.35 -0.27 0.74 0.00 0.00 0.00 178.15 179.04 3ike h THR 47 N 0.43 0.40 -0.42 -0.27 2.02 -0.73 0.23 112.91 114.57 3ike h THR 47 Ca 0.09 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.33 3ike h THR 47 Cb 0.53 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 3ike h THR 47 CO 0.03 0.00 0.14 0.44 0.37 0.00 0.00 175.52 176.50 3ike h ASP 48 N -0.41 0.14 -0.99 4.18 5.19 -1.03 0.18 116.42 123.68 3ike h ASP 48 Ca 0.06 0.05 0.11 0.00 -0.62 0.00 0.00 57.03 56.63 3ike h ASP 48 Cb 0.49 0.04 -0.08 0.00 0.18 0.00 0.00 39.33 39.96 3ike h ASP 48 CO -0.23 0.11 0.62 0.00 -3.12 0.00 0.00 179.24 176.63 3ike h ALA 49 N 1.28 1.46 -0.15 3.45 0.00 -0.55 0.38 119.26 125.13 3ike h ALA 49 Ca 0.20 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 3ike h ALA 49 Cb 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3ike h ALA 49 CO -0.21 0.26 -0.42 -0.07 0.00 0.00 0.00 179.25 178.81 3ike h LEU 50 N 1.02 0.62 -1.14 0.00 3.38 0.01 -1.57 115.31 117.64 3ike h LEU 50 Ca 0.48 -0.59 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3ike h LEU 50 Cb 0.41 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3ike h LEU 50 CO -0.24 1.10 0.56 -0.26 0.09 0.00 0.00 178.44 179.69 3ike h PHE 51 N 0.18 1.09 -0.40 1.13 0.04 -0.28 -2.44 116.94 116.26 3ike h PHE 51 Ca -0.01 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 3ike h PHE 51 Cb 1.04 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.81 3ike h PHE 51 CO 0.10 0.69 0.03 0.78 -0.60 0.00 0.00 178.31 179.31 3ike h GLY 52 N 1.17 0.74 0.92 -1.45 0.00 -0.03 0.33 103.07 104.74 3ike h GLY 52 Ca 0.31 -0.52 0.02 0.00 0.00 0.00 0.00 47.33 47.14 3ike h GLY 52 CO -0.07 0.48 0.31 0.00 0.00 0.00 0.00 176.54 177.27 3ike h ALA 53 N 0.90 0.65 -0.00 3.60 0.00 -1.16 -1.98 119.26 121.26 3ike h ALA 53 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ike h ALA 53 Cb 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ike h ALA 53 CO 0.02 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.30 3ike n ALA 54 N -2.26 2.58 -4.15 0.00 0.00 -0.93 -4.71 120.51 111.04 3ike n ALA 54 Ca 0.03 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.04 3ike n ALA 54 Cb 0.06 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.27 3ike n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ike n ALA 55 N -0.70 -1.34 -0.10 0.00 0.00 -0.75 -4.87 120.51 112.75 3ike n ALA 55 Ca 0.10 -0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.64 3ike n ALA 55 Cb 0.05 -3.44 0.29 0.00 0.00 0.00 0.00 19.45 16.35 3ike n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ike n LEU 56 N -4.44 3.57 0.00 0.00 4.77 0.05 -5.03 117.00 115.92 3ike n LEU 56 Ca 0.03 -1.79 0.00 0.00 -0.03 0.00 0.00 56.01 54.22 3ike n LEU 56 Cb 0.52 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3ike n LEU 56 CO 0.83 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 178.35 3ike n GLY 57 N 1.47 0.99 3.68 -0.72 0.00 -1.25 -4.95 105.19 104.42 3ike n GLY 57 Ca 0.22 -1.18 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 3ike n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ike s ASP 58 N -4.00 0.42 0.23 1.61 1.47 -1.26 -4.15 116.67 110.99 3ike s ASP 58 Ca 0.00 -1.32 -0.06 0.00 1.18 0.00 0.00 52.55 52.35 3ike s ASP 58 Cb 0.00 0.79 0.38 0.00 -0.34 0.00 0.00 42.92 43.75 3ike s ASP 58 CO 0.00 -1.56 1.77 -0.29 0.68 0.00 0.00 175.17 175.77 3ike h ILE 59 N 2.03 0.81 -0.25 2.11 2.10 -1.92 -2.58 117.51 119.81 3ike h ILE 59 Ca -0.31 -0.20 -0.05 0.00 1.08 0.00 0.00 64.86 65.38 3ike h ILE 59 Cb 1.25 0.16 -0.01 0.00 -1.09 0.00 0.00 36.82 37.12 3ike h ILE 59 CO 0.40 0.11 -0.04 1.23 -1.08 0.00 0.00 178.15 178.77 3ike h GLY 60 N 0.60 0.41 2.00 8.18 0.00 -1.97 -1.15 103.07 111.14 3ike h GLY 60 Ca 0.38 -0.24 -0.12 0.00 0.00 0.00 0.00 47.33 47.34 3ike h GLY 60 CO -0.30 0.22 -0.59 -0.09 0.00 0.00 0.00 176.54 175.78 3ike h ARG 61 N 0.37 0.00 0.00 4.80 2.43 -1.87 -3.35 114.38 116.75 3ike h ARG 61 Ca 0.08 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.88 3ike h ARG 61 Cb 0.32 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.80 3ike h ARG 61 CO 0.01 0.59 -2.38 0.72 -1.51 0.00 0.00 179.97 177.41 3ike n HIS 62 N -3.55 0.00 -2.65 2.20 8.25 -1.06 -5.01 115.22 113.40 3ike n HIS 62 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3ike n HIS 62 Cb 0.66 -0.98 0.00 0.00 1.12 0.00 0.00 29.99 30.78 3ike n HIS 62 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3ike n PHE 63 N -2.80 0.00 -0.94 4.41 3.72 -0.46 -5.11 117.46 116.27 3ike n PHE 63 Ca -0.34 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.70 3ike n PHE 63 Cb 1.13 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.73 3ike n PHE 63 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3ike n ASP 74 N 0.00 -4.63 0.16 4.37 5.68 -1.26 -4.67 116.55 116.20 3ike n ASP 74 Ca 0.00 0.17 0.13 0.00 -0.50 0.00 0.00 54.79 54.59 3ike n ASP 74 Cb 0.00 -0.83 0.42 0.00 -1.14 0.00 0.00 41.12 39.58 3ike n ASP 74 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3ike h SER 75 N -1.17 0.00 0.35 -1.12 0.02 -1.96 -2.75 113.55 106.91 3ike h SER 75 Ca -0.44 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.27 3ike h SER 75 Cb 1.31 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.86 3ike h SER 75 CO 0.26 0.00 -1.05 0.03 -1.14 0.00 0.00 176.83 174.93 3ike h ARG 76 N 0.00 0.43 -0.44 3.45 3.08 -1.98 0.10 114.38 119.02 3ike h ARG 76 Ca 0.00 -0.52 -0.05 0.00 0.07 0.00 0.00 59.98 59.48 3ike h ARG 76 Cb 0.66 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 3ike h ARG 76 CO 0.00 1.18 0.07 0.00 -1.07 0.00 0.00 179.97 180.14 3ike h ALA 77 N 0.63 0.59 -0.72 0.04 0.00 -1.96 -0.02 119.26 117.83 3ike h ALA 77 Ca -0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3ike h ALA 77 Cb 1.70 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 3ike h ALA 77 CO 0.18 0.31 0.40 -0.07 0.00 0.00 0.00 179.25 180.08 3ike h LEU 78 N 0.59 0.89 -0.68 0.00 3.38 -1.42 -0.79 115.31 117.28 3ike h LEU 78 Ca 0.13 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ike h LEU 78 Cb 0.39 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3ike h LEU 78 CO 0.01 0.72 0.41 0.25 0.09 0.00 0.00 178.44 179.92 3ike h LEU 79 N 0.99 0.82 -0.71 1.67 5.85 -0.61 -0.55 115.31 122.76 3ike h LEU 79 Ca 0.25 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3ike h LEU 79 Cb 0.02 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3ike h LEU 79 CO -0.04 0.65 0.44 0.03 -0.34 0.00 0.00 178.44 179.18 3ike h ARG 80 N 0.92 0.95 -0.43 1.25 3.08 -0.48 -1.01 114.38 118.65 3ike h ARG 80 Ca 0.24 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 3ike h ARG 80 Cb -0.02 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 3ike h ARG 80 CO -0.04 0.65 0.22 1.49 -1.07 0.00 0.00 179.97 181.22 3ike h GLU 81 N 0.96 0.62 -0.17 0.04 4.57 -0.90 -1.73 114.58 117.96 3ike h GLU 81 Ca 0.26 -0.09 0.05 0.00 -1.18 0.00 0.00 59.36 58.40 3ike h GLU 81 Cb -0.07 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.36 3ike h GLU 81 CO -0.05 0.52 -0.17 0.00 -1.18 0.00 0.00 179.01 178.13 3ike h ALA 83 N 0.87 1.64 -0.45 0.00 0.00 -1.03 0.12 119.26 120.41 3ike h ALA 83 Ca 0.11 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3ike h ALA 83 Cb 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3ike h ALA 83 CO -0.28 0.18 -0.10 1.03 0.00 0.00 0.00 179.25 180.08 3ike h SER 84 N 0.89 0.86 0.61 0.00 0.87 -0.33 -1.86 113.55 114.59 3ike h SER 84 Ca 0.41 -0.36 -0.12 0.00 -1.23 0.00 0.00 61.79 60.50 3ike h SER 84 Cb 0.41 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 3ike h SER 84 CO -0.18 1.02 -0.58 0.03 -0.53 0.00 0.00 176.83 176.59 3ike h ARG 85 N 0.69 0.00 -0.36 2.24 3.08 0.36 -0.39 114.38 120.01 3ike h ARG 85 Ca 0.12 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 3ike h ARG 85 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 3ike h ARG 85 CO 0.04 0.58 -0.00 0.28 -1.07 0.00 0.00 179.97 179.80 3ike h VAL 86 N 0.00 1.26 -0.57 2.04 2.07 -0.66 -2.07 116.25 118.33 3ike h VAL 86 Ca -0.01 -0.98 -0.10 0.00 0.82 0.00 0.00 66.70 66.43 3ike h VAL 86 Cb 1.04 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 3ike h VAL 86 CO 0.08 0.33 -0.03 0.00 0.02 0.00 0.00 177.57 177.96 3ike h ALA 87 N 0.87 0.87 -0.90 1.67 0.00 -1.20 -2.26 119.26 118.30 3ike h ALA 87 Ca 0.10 -0.32 0.16 0.00 0.00 0.00 0.00 54.91 54.86 3ike h ALA 87 Cb 0.46 -0.21 -0.10 0.00 0.00 0.00 0.00 17.79 17.94 3ike h ALA 87 CO 0.02 0.66 0.49 1.96 0.00 0.00 0.00 179.25 182.37 3ike h GLN 88 N 0.92 0.63 0.00 0.00 1.08 -0.91 0.26 115.11 117.09 3ike h GLN 88 Ca 0.16 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 3ike h GLN 88 Cb 0.57 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 3ike h GLN 88 CO 0.03 0.42 0.00 0.00 -0.95 0.00 0.00 178.83 178.33 3ike n ALA 89 N -2.40 2.05 0.00 3.87 0.00 -0.79 -4.88 120.51 118.35 3ike n ALA 89 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3ike n ALA 89 Cb 0.49 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3ike n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ike n GLY 90 N 0.86 1.12 3.79 0.00 0.00 0.08 -5.10 105.19 105.94 3ike n GLY 90 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3ike n GLY 90 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ike s PHE 91 N -2.00 3.24 0.02 1.61 0.08 -0.89 -4.44 117.98 115.59 3ike s PHE 91 Ca 0.00 0.11 0.07 0.00 0.12 0.00 0.00 56.93 57.23 3ike s PHE 91 Cb 0.00 -1.65 -0.03 0.00 -0.57 0.00 0.00 43.02 40.77 3ike s PHE 91 CO 0.00 0.53 -0.20 0.00 -0.10 0.00 0.00 175.22 175.45 3ike s ALA 92 N -1.37 2.49 -0.13 5.36 0.00 0.19 -3.80 121.76 124.50 3ike s ALA 92 Ca 0.29 -1.16 -0.24 0.00 0.00 0.00 0.00 51.96 50.85 3ike s ALA 92 Cb -0.12 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 3ike s ALA 92 CO 0.22 0.56 0.74 0.42 0.00 0.00 0.00 175.76 177.69 3ike s ILE 93 N -0.83 4.98 -0.21 0.00 1.01 -1.26 -1.22 121.20 123.66 3ike s ILE 93 Ca 0.13 1.47 -0.17 0.00 0.00 0.00 0.00 60.65 62.09 3ike s ILE 93 Cb -0.10 -4.06 -0.19 0.00 0.01 0.00 0.00 42.46 38.12 3ike s ILE 93 CO 0.03 0.14 0.10 0.54 0.00 0.00 0.00 174.94 175.75 3ike n ARG 94 N 4.58 0.60 -3.46 2.79 5.12 0.13 -4.97 116.66 121.44 3ike n ARG 94 Ca 0.01 0.45 -0.12 0.00 -1.93 0.00 0.00 57.85 56.26 3ike n ARG 94 Cb 0.50 -1.68 -0.03 0.00 -1.16 0.00 0.00 32.46 30.09 3ike n ARG 94 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3ike s ASN 95 N -7.01 -0.53 -0.04 0.55 4.22 -1.07 -4.83 114.94 106.24 3ike s ASN 95 Ca -0.30 0.13 0.02 0.00 -2.14 0.00 0.00 52.86 50.57 3ike s ASN 95 Cb 0.08 0.53 0.01 0.00 1.28 0.00 0.00 41.25 43.15 3ike s ASN 95 CO 0.60 -0.80 -0.08 -0.69 -2.04 0.00 0.00 177.10 174.08 3ike s VAL 96 N -3.07 0.77 0.15 3.54 1.01 -0.31 -1.00 120.40 121.49 3ike s VAL 96 Ca -0.00 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.71 3ike s VAL 96 Cb -0.01 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 3ike s VAL 96 CO -0.08 0.25 -0.11 -0.62 0.00 0.00 0.00 175.10 174.55 3ike s ASP 97 N 0.42 1.92 0.11 3.32 2.15 -0.35 -1.30 116.67 122.94 3ike s ASP 97 Ca -0.07 -1.01 -0.26 0.00 0.43 0.00 0.00 52.55 51.65 3ike s ASP 97 Cb -0.11 -0.03 0.07 0.00 -0.30 0.00 0.00 42.92 42.55 3ike s ASP 97 CO 0.01 -0.30 0.90 -0.94 -0.17 0.00 0.00 175.17 174.67 3ike s SER 98 N -3.17 -0.27 -0.01 -0.34 1.04 -1.02 -0.77 113.70 109.16 3ike s SER 98 Ca 0.17 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.35 3ike s SER 98 Cb 0.02 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.63 3ike s SER 98 CO 0.02 -0.83 0.02 -0.89 0.98 0.00 0.00 173.24 172.53 3ike s THR 99 N -3.29 -0.03 -0.17 2.02 2.01 -0.32 -0.83 115.64 115.04 3ike s THR 99 Ca 0.09 0.13 -0.07 0.00 0.31 0.00 0.00 61.69 62.15 3ike s THR 99 Cb -0.01 -0.06 -0.04 0.00 0.01 0.00 0.00 72.50 72.40 3ike s THR 99 CO -0.02 0.06 0.06 -0.63 -0.69 0.00 0.00 174.62 173.39 3ike s ILE 100 N 0.64 4.74 -0.29 1.82 1.01 0.33 -0.88 121.20 128.58 3ike s ILE 100 Ca -0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.50 3ike s ILE 100 Cb -0.08 -3.12 0.02 0.00 0.01 0.00 0.00 42.46 39.30 3ike s ILE 100 CO -0.02 0.49 0.03 -0.63 0.00 0.00 0.00 174.94 174.81 3ike s ILE 101 N 0.15 3.45 -0.20 2.92 1.01 0.92 -1.15 121.20 128.31 3ike s ILE 101 Ca 0.04 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 59.66 3ike s ILE 101 Cb -0.12 -2.83 0.09 0.00 0.01 0.00 0.00 42.46 39.61 3ike s ILE 101 CO 0.01 0.05 0.42 0.00 0.00 0.00 0.00 174.94 175.42 3ike s ALA 102 N 1.39 -1.16 0.08 9.38 0.00 -0.09 -1.92 121.76 129.45 3ike s ALA 102 Ca 0.00 1.52 -0.22 0.00 0.00 0.00 0.00 51.96 53.26 3ike s ALA 102 Cb -0.18 -1.29 -0.12 0.00 0.00 0.00 0.00 23.12 21.53 3ike s ALA 102 CO -0.00 -0.70 1.64 0.37 0.00 0.00 0.00 175.76 177.06 3ike h GLN 103 N 8.05 0.15 -3.45 0.00 5.75 -1.81 -3.36 115.11 120.44 3ike h GLN 103 Ca -0.18 -0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 58.19 3ike h GLN 103 Cb 1.12 -0.03 -0.17 0.00 1.07 0.00 0.00 27.48 29.47 3ike h GLN 103 CO 0.14 0.23 -0.33 0.00 -2.65 0.00 0.00 178.83 176.22 3ike s ALA 104 N -5.67 -0.49 0.70 3.38 0.00 -1.26 -4.81 121.76 113.61 3ike s ALA 104 Ca -0.14 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.66 3ike s ALA 104 Cb 0.06 0.29 0.13 0.00 0.00 0.00 0.00 23.12 23.61 3ike s ALA 104 CO 0.69 -0.38 0.90 -0.35 0.00 0.00 0.00 175.76 176.61 3ike n PRO 105 N 0.65 -0.00 -1.77 0.00 -0.04 -1.26 -5.04 135.00 127.53 3ike n PRO 105 Ca -0.19 -2.50 -0.42 0.00 -0.04 0.00 0.00 63.50 60.36 3ike n PRO 105 Cb 0.59 -0.58 -0.02 0.00 -0.04 0.00 0.00 33.50 33.45 3ike n PRO 105 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3ike s LYS 106 N -4.84 4.12 -0.05 0.54 0.00 -1.26 -4.89 119.74 113.36 3ike s LYS 106 Ca 0.60 2.58 0.14 0.00 0.00 0.00 0.00 55.97 59.29 3ike s LYS 106 Cb -0.03 -3.04 -0.21 0.00 0.00 0.00 0.00 37.83 34.54 3ike s LYS 106 CO 0.40 -0.67 0.25 1.28 0.00 0.00 0.00 175.35 176.61 3ike n LEU 107 N 2.71 0.00 -0.34 2.77 4.77 -1.26 -4.68 117.00 120.97 3ike n LEU 107 Ca 0.10 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.14 3ike n LEU 107 Cb 0.37 0.10 0.13 0.00 -2.33 0.00 0.00 43.42 41.69 3ike n LEU 107 CO 0.64 0.10 0.63 0.00 -1.33 0.00 0.00 177.39 177.42 3ike n ALA 108 N -2.16 0.23 0.53 -1.18 0.00 -1.26 -0.42 120.51 116.24 3ike n ALA 108 Ca -0.08 1.05 0.09 0.00 0.00 0.00 0.00 53.44 54.49 3ike n ALA 108 Cb 0.55 -0.63 0.38 0.00 0.00 0.00 0.00 19.45 19.75 3ike n ALA 108 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ike n PRO 109 N -5.55 0.05 -0.09 0.00 -0.04 -1.26 -3.24 135.00 124.86 3ike n PRO 109 Ca 0.15 0.26 0.09 0.00 -0.04 0.00 0.00 63.50 63.97 3ike n PRO 109 Cb 0.48 -1.59 0.13 0.00 -0.04 0.00 0.00 33.50 32.48 3ike n PRO 109 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3ike n HIS 110 N -1.67 0.24 -0.02 0.54 8.25 0.44 -4.68 115.22 118.32 3ike n HIS 110 Ca 0.04 -0.15 -0.17 0.00 -0.26 0.00 0.00 57.72 57.17 3ike n HIS 110 Cb 0.21 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.23 3ike n HIS 110 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3ike h ILE 111 N 3.62 1.30 -0.62 1.59 5.03 -1.57 -2.30 117.51 124.55 3ike h ILE 111 Ca 0.00 -1.98 -0.06 0.00 -0.12 0.00 0.00 64.86 62.70 3ike h ILE 111 Cb 0.82 2.08 -0.03 0.00 -3.03 0.00 0.00 36.82 36.66 3ike h ILE 111 CO 0.00 0.62 0.15 0.44 -0.68 0.00 0.00 178.15 178.68 3ike h ASP 112 N 0.43 0.92 0.31 1.72 3.32 -1.84 -0.72 116.42 120.57 3ike h ASP 112 Ca -0.06 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 3ike h ASP 112 Cb 1.39 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3ike h ASP 112 CO 0.15 0.89 -0.15 0.00 -1.72 0.00 0.00 179.24 178.42 3ike h ALA 113 N 1.22 -0.42 -0.64 3.45 0.00 -1.85 -0.51 119.26 120.52 3ike h ALA 113 Ca 0.20 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.12 3ike h ALA 113 Cb 0.34 0.16 -0.12 0.00 0.00 0.00 0.00 17.79 18.17 3ike h ALA 113 CO 0.00 -0.70 -0.20 0.52 0.00 0.00 0.00 179.25 178.87 3ike h MET 114 N -0.48 -0.04 -0.79 0.00 2.86 -1.17 0.42 114.93 115.73 3ike h MET 114 Ca -0.04 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3ike h MET 114 Cb 0.36 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 3ike h MET 114 CO 0.07 -0.02 0.45 -0.09 1.06 0.00 0.00 176.91 178.37 3ike h ARG 115 N -0.04 1.09 -0.32 1.72 2.43 -1.01 0.94 114.38 119.19 3ike h ARG 115 Ca 0.30 -0.11 -0.15 0.00 -0.81 0.00 0.00 59.98 59.20 3ike h ARG 115 Cb 0.50 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3ike h ARG 115 CO -0.67 0.78 -0.40 0.00 -1.51 0.00 0.00 179.97 178.18 3ike h ALA 116 N 1.39 0.49 -0.27 2.80 0.00 0.10 -0.16 119.26 123.60 3ike h ALA 116 Ca 0.28 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3ike h ALA 116 Cb 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3ike h ALA 116 CO -0.05 0.59 0.11 -0.91 0.00 0.00 0.00 179.25 179.00 3ike h ASN 117 N 0.62 0.14 0.01 0.00 2.35 0.40 -1.71 115.58 117.40 3ike h ASN 117 Ca 0.04 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3ike h ASN 117 Cb 0.99 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.36 3ike h ASN 117 CO 0.09 0.12 -0.01 0.40 -1.65 0.00 0.00 177.43 176.39 3ike h ILE 118 N 0.24 1.09 -0.40 2.81 2.04 -0.73 -1.04 117.51 121.53 3ike h ILE 118 Ca 0.12 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3ike h ILE 118 Cb 0.07 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3ike h ILE 118 CO -0.10 0.08 0.26 0.00 0.00 0.00 0.00 178.15 178.39 3ike h ALA 119 N 0.82 1.72 0.16 1.87 0.00 -1.01 -1.00 119.26 121.82 3ike h ALA 119 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3ike h ALA 119 Cb 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3ike h ALA 119 CO 0.00 0.26 -0.08 0.00 0.00 0.00 0.00 179.25 179.44 3ike h ALA 120 N 1.75 -0.22 -0.34 0.00 0.00 -0.96 -0.16 119.26 119.33 3ike h ALA 120 Ca 0.14 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.93 3ike h ALA 120 Cb -0.06 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3ike h ALA 120 CO -0.03 -0.38 0.24 -0.44 0.00 0.00 0.00 179.25 178.64 3ike h ASP 121 N -0.72 0.04 -0.11 0.00 3.32 -0.82 -1.91 116.42 116.22 3ike h ASP 121 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3ike h ASP 121 Cb 0.51 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3ike h ASP 121 CO 0.04 0.02 0.00 0.18 -1.72 0.00 0.00 179.24 177.76 3ike n LEU 122 N -4.45 2.99 -3.73 1.55 4.77 -0.41 -4.52 117.00 113.20 3ike n LEU 122 Ca 0.05 -1.08 -0.22 0.00 -0.03 0.00 0.00 56.01 54.73 3ike n LEU 122 Cb 0.39 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.44 3ike n LEU 122 CO 0.36 0.54 -0.10 -0.67 -1.33 0.00 0.00 177.39 176.19 3ike n ASP 123 N 1.29 -1.36 -4.33 -1.43 2.03 -0.72 -4.99 116.55 107.05 3ike n ASP 123 Ca 0.16 -0.86 -0.26 0.00 0.52 0.00 0.00 54.79 54.34 3ike n ASP 123 Cb 0.58 -3.86 -0.13 0.00 -0.72 0.00 0.00 41.12 37.00 3ike n ASP 123 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3ike s LEU 124 N -6.68 2.29 0.50 -2.67 1.43 -0.14 -5.05 118.68 108.35 3ike s LEU 124 Ca 0.04 -0.69 -0.22 0.00 -1.03 0.00 0.00 54.13 52.23 3ike s LEU 124 Cb -0.01 -1.05 -0.06 0.00 0.03 0.00 0.00 46.19 45.09 3ike s LEU 124 CO 0.83 0.13 1.18 -2.16 0.23 0.00 0.00 176.35 176.55 3ike s PRO 125 N -1.86 3.54 0.49 1.29 0.04 -1.26 -4.48 135.00 132.76 3ike s PRO 125 Ca 0.10 1.78 0.31 0.00 0.04 0.00 0.00 61.00 63.23 3ike s PRO 125 Cb -0.10 -2.25 1.42 0.00 0.04 0.00 0.00 34.50 33.61 3ike s PRO 125 CO 0.05 -0.73 1.76 -0.07 0.04 0.00 0.00 177.00 178.04 3ike h LEU 126 N 1.69 0.16 0.00 -3.56 3.38 -1.92 -1.41 115.31 113.65 3ike h LEU 126 Ca -0.50 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3ike h LEU 126 Cb 1.26 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3ike h LEU 126 CO 0.59 0.01 0.00 -0.90 0.09 0.00 0.00 178.44 178.22 3ike n ASP 127 N -4.35 0.00 -1.45 -0.43 5.68 -1.26 -2.66 116.55 112.08 3ike n ASP 127 Ca 0.28 0.04 0.10 0.00 -0.50 0.00 0.00 54.79 54.70 3ike n ASP 127 Cb 1.21 -0.32 0.33 0.00 -1.14 0.00 0.00 41.12 41.20 3ike n ASP 127 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3ike n ARG 128 N -1.32 3.40 -4.08 0.11 1.74 -0.53 -4.95 116.66 111.02 3ike n ARG 128 Ca 0.10 -2.78 -0.17 0.00 -0.77 0.00 0.00 57.85 54.23 3ike n ARG 128 Cb 0.20 -1.77 -0.16 0.00 -1.02 0.00 0.00 32.46 29.72 3ike n ARG 128 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ike s VAL 129 N -1.60 0.37 -0.01 1.55 1.01 -1.09 -1.16 120.40 119.47 3ike s VAL 129 Ca 0.49 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.34 3ike s VAL 129 Cb 0.30 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 36.30 3ike s VAL 129 CO 0.26 0.16 0.08 0.21 0.00 0.00 0.00 175.10 175.81 3ike s ASN 130 N 0.56 0.02 -0.06 3.32 2.47 -0.42 -4.99 114.94 115.84 3ike s ASN 130 Ca -0.06 -0.09 -0.01 0.00 0.42 0.00 0.00 52.86 53.12 3ike s ASN 130 Cb -0.10 0.18 0.03 0.00 -1.45 0.00 0.00 41.25 39.91 3ike s ASN 130 CO -0.01 -0.20 -0.00 -0.69 -3.72 0.00 0.00 177.10 172.48 3ike s VAL 131 N -0.75 0.34 0.32 -5.21 1.01 -1.26 -2.42 120.40 112.42 3ike s VAL 131 Ca -0.08 0.09 0.10 0.00 0.00 0.00 0.00 61.98 62.09 3ike s VAL 131 Cb -0.05 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 3ike s VAL 131 CO 0.00 0.23 -0.05 -0.54 0.00 0.00 0.00 175.10 174.74 3ike s LYS 132 N 1.63 1.98 -0.01 2.72 1.02 -0.01 -4.98 119.74 122.09 3ike s LYS 132 Ca -0.01 -1.74 -0.01 0.00 0.02 0.00 0.00 55.97 54.24 3ike s LYS 132 Cb -0.13 -1.89 0.01 0.00 -0.52 0.00 0.00 37.83 35.30 3ike s LYS 132 CO -0.03 0.21 0.03 0.00 -0.92 0.00 0.00 175.35 174.63 3ike s ALA 133 N -2.51 -0.02 0.03 5.17 0.00 -1.26 -0.51 121.76 122.66 3ike s ALA 133 Ca 0.33 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.44 3ike s ALA 133 Cb -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 3ike s ALA 133 CO 0.18 -0.04 -0.06 0.15 0.00 0.00 0.00 175.76 175.99 3ike s LYS 134 N 0.32 0.43 0.79 0.00 -0.14 -0.30 -4.95 119.74 115.89 3ike s LYS 134 Ca -0.03 -0.60 -0.06 0.00 -1.36 0.00 0.00 55.97 53.93 3ike s LYS 134 Cb -0.04 -0.20 0.14 0.00 -1.68 0.00 0.00 37.83 36.05 3ike s LYS 134 CO -0.01 0.03 1.09 0.95 -0.76 0.00 0.00 175.35 176.65 3ike s THR 135 N -1.13 2.12 -0.40 2.17 -4.23 -1.26 -0.91 115.64 112.00 3ike s THR 135 Ca -0.09 -0.39 0.16 0.00 -1.18 0.00 0.00 61.69 60.19 3ike s THR 135 Cb -0.08 -2.73 0.67 0.00 1.34 0.00 0.00 72.50 71.70 3ike s THR 135 CO -0.00 0.00 1.58 -3.20 -0.54 0.00 0.00 174.62 172.46 3ike n ASN 136 N -3.11 4.74 -4.01 3.99 5.15 -1.26 -4.75 115.26 116.02 3ike n ASN 136 Ca 0.14 -2.84 -0.30 0.00 -0.60 0.00 0.00 54.58 50.98 3ike n ASN 136 Cb 0.60 -0.59 -0.00 0.00 -0.53 0.00 0.00 39.78 39.26 3ike n ASN 136 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3ike n GLU 137 N 0.28 -4.23 -1.36 1.20 -0.58 -1.26 -1.46 120.64 113.22 3ike n GLU 137 Ca 0.24 0.49 -0.14 0.00 -0.42 0.00 0.00 57.16 57.33 3ike n GLU 137 Cb 0.99 -5.14 -0.06 0.00 -0.57 0.00 0.00 31.44 26.67 3ike n GLU 137 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ike n LYS 138 N -4.49 -1.53 -3.63 3.49 5.02 -1.26 -4.97 118.16 110.78 3ike n LYS 138 Ca -0.05 0.91 -0.38 0.00 -2.02 0.00 0.00 58.31 56.77 3ike n LYS 138 Cb 0.56 -5.21 -0.06 0.00 -0.02 0.00 0.00 35.03 30.30 3ike n LYS 138 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ike s LEU 139 N -3.34 4.43 0.00 -0.35 1.43 -0.53 -4.47 118.68 115.85 3ike s LEU 139 Ca 0.00 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 3ike s LEU 139 Cb 0.00 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.82 3ike s LEU 139 CO 0.00 0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.53 3ike n GLY 140 N 1.96 -1.38 0.33 -3.19 0.00 -1.26 -0.99 105.19 100.66 3ike n GLY 140 Ca -0.16 -1.10 0.12 0.00 0.00 0.00 0.00 46.02 44.89 3ike n GLY 140 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3ike h TYR 141 N -0.44 0.19 -0.42 1.61 -0.00 -1.97 -0.55 116.97 115.40 3ike h TYR 141 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.69 3ike h TYR 141 Cb 0.44 -0.06 -0.02 0.00 0.00 0.00 0.00 36.73 37.09 3ike h TYR 141 CO 0.00 0.10 0.05 -0.07 -0.00 0.00 0.00 178.16 178.24 3ike h LEU 142 N 0.19 0.68 -0.97 0.10 3.38 -1.83 0.74 115.31 117.60 3ike h LEU 142 Ca 0.17 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3ike h LEU 142 Cb 0.45 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3ike h LEU 142 CO -0.03 0.78 -0.20 1.23 0.09 0.00 0.00 178.44 180.31 3ike h GLY 143 N 0.55 0.00 0.35 0.83 0.00 0.46 -1.36 103.07 103.90 3ike h GLY 143 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3ike h GLY 143 CO 0.01 0.00 -0.08 0.54 0.00 0.00 0.00 176.54 177.01 3ike n ARG 144 N -3.31 1.09 -2.76 4.80 1.74 -0.59 -4.43 116.66 113.20 3ike n ARG 144 Ca 0.01 -0.48 -0.11 0.00 -0.77 0.00 0.00 57.85 56.49 3ike n ARG 144 Cb 0.45 -1.49 0.02 0.00 -1.02 0.00 0.00 32.46 30.42 3ike n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ike n GLY 145 N 1.21 0.13 0.05 -0.13 0.00 -0.51 -4.93 105.19 101.01 3ike n GLY 145 Ca 0.17 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 46.01 3ike n GLY 145 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ike n GLU 146 N -2.48 0.60 -2.78 1.61 1.02 0.23 -4.74 120.64 114.10 3ike n GLU 146 Ca -0.04 -0.07 -0.07 0.00 -0.02 0.00 0.00 57.16 56.96 3ike n GLU 146 Cb 0.55 -1.63 -0.00 0.00 -0.02 0.00 0.00 31.44 30.34 3ike n GLU 146 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ike n GLY 147 N 1.25 1.98 2.87 0.62 0.00 -1.22 -0.50 105.19 110.19 3ike n GLY 147 Ca -0.02 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 3ike n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ike s ILE 148 N -2.57 -0.01 0.12 -0.61 1.01 -0.42 -4.64 121.20 114.08 3ike s ILE 148 Ca 0.13 0.03 0.08 0.00 0.00 0.00 0.00 60.65 60.89 3ike s ILE 148 Cb -0.02 -0.04 -0.04 0.00 0.01 0.00 0.00 42.46 42.38 3ike s ILE 148 CO 0.09 0.01 -0.13 -0.70 0.00 0.00 0.00 174.94 174.22 3ike s GLU 149 N 0.14 1.99 0.07 2.79 2.12 -0.81 -1.96 118.70 123.05 3ike s GLU 149 Ca -0.01 -1.13 0.05 0.00 0.36 0.00 0.00 54.97 54.24 3ike s GLU 149 Cb -0.02 -2.21 -0.03 0.00 0.26 0.00 0.00 34.13 32.13 3ike s GLU 149 CO -0.00 0.48 -0.14 0.00 -0.54 0.00 0.00 175.26 175.06 3ike s ALA 150 N -1.29 1.17 0.05 6.30 0.00 -0.28 -0.06 121.76 127.67 3ike s ALA 150 Ca 0.21 -1.00 0.07 0.00 0.00 0.00 0.00 51.96 51.24 3ike s ALA 150 Cb -0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 3ike s ALA 150 CO 0.13 0.17 -0.18 -0.65 0.00 0.00 0.00 175.76 175.22 3ike s GLN 151 N -1.73 1.19 0.02 0.00 -0.21 -0.06 -1.72 119.66 117.16 3ike s GLN 151 Ca -0.02 -0.92 -0.02 0.00 0.02 0.00 0.00 55.36 54.42 3ike s GLN 151 Cb -0.10 -1.29 -0.02 0.00 1.00 0.00 0.00 33.01 32.60 3ike s GLN 151 CO 0.02 0.32 0.01 0.00 -2.12 0.00 0.00 175.29 173.52 3ike s ALA 152 N -0.88 0.04 -0.02 6.09 0.00 -0.43 -1.17 121.76 125.39 3ike s ALA 152 Ca 0.05 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.51 3ike s ALA 152 Cb -0.09 0.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 3ike s ALA 152 CO 0.02 -0.19 -0.12 0.00 0.00 0.00 0.00 175.76 175.47 3ike s ALA 153 N -1.64 1.09 -0.00 0.00 0.00 0.05 -0.46 121.76 120.79 3ike s ALA 153 Ca -0.14 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.37 3ike s ALA 153 Cb -0.08 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 3ike s ALA 153 CO -0.01 0.21 -0.13 0.00 0.00 0.00 0.00 175.76 175.83 3ike s ALA 154 N 0.00 1.12 -0.15 0.00 0.00 -0.78 -1.21 121.76 120.75 3ike s ALA 154 Ca -0.01 -0.61 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 3ike s ALA 154 Cb -0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 3ike s ALA 154 CO 0.01 0.27 -0.07 -1.17 0.00 0.00 0.00 175.76 174.79 3ike s LEU 155 N -0.41 3.05 0.33 0.00 2.96 -0.17 -1.52 118.68 122.93 3ike s LEU 155 Ca 0.05 -0.21 0.05 0.00 -0.22 0.00 0.00 54.13 53.80 3ike s LEU 155 Cb -0.05 -1.72 -0.07 0.00 0.50 0.00 0.00 46.19 44.85 3ike s LEU 155 CO -0.00 0.16 0.04 0.68 -1.32 0.00 0.00 176.35 175.91 3ike s VAL 156 N 0.39 1.37 -0.00 1.68 -7.23 -0.52 0.18 120.40 116.26 3ike s VAL 156 Ca -0.06 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.08 3ike s VAL 156 Cb -0.15 -2.79 -0.00 0.00 0.56 0.00 0.00 36.38 34.00 3ike s VAL 156 CO 0.04 -0.04 0.02 0.54 -0.31 0.00 0.00 175.10 175.35 3ike s VAL 157 N -3.17 0.04 -2.00 1.32 0.11 -0.36 -1.49 120.40 114.85 3ike s VAL 157 Ca 0.35 -0.29 0.23 0.00 -2.93 0.00 0.00 61.98 59.34 3ike s VAL 157 Cb 0.08 -0.13 0.66 0.00 -1.53 0.00 0.00 36.38 35.46 3ike s VAL 157 CO 0.15 -0.16 1.75 -1.14 -3.33 0.00 0.00 175.10 172.38