#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w2x s GLN 8 N 0.00 4.05 0.13 1.64 2.00 -1.26 -5.04 119.66 121.19 2w2x s GLN 8 Ca 0.00 0.03 -0.22 0.00 -2.00 0.00 0.00 55.36 53.17 2w2x s GLN 8 Cb 0.00 -3.62 0.06 0.00 0.80 0.00 0.00 33.01 30.25 2w2x s GLN 8 CO 0.00 -0.19 0.56 1.14 -0.50 0.00 0.00 175.29 176.31 2w2x s GLN 9 N 1.79 1.21 0.00 1.67 0.00 -1.26 -1.29 119.66 121.79 2w2x s GLN 9 Ca 0.15 -0.45 0.00 0.00 -0.00 0.00 0.00 55.36 55.06 2w2x s GLN 9 Cb -0.15 0.55 0.00 0.00 0.00 0.00 0.00 33.01 33.41 2w2x s GLN 9 CO 0.09 -0.51 0.00 0.41 0.00 0.00 0.00 175.29 175.28 2w2x n GLY 10 N -0.22 2.46 3.76 2.60 0.00 0.95 -4.97 105.19 109.78 2w2x n GLY 10 Ca -0.17 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 2w2x n GLY 10 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2w2x s GLU 11 N -1.89 4.71 0.04 1.61 2.12 -1.26 -0.65 118.70 123.38 2w2x s GLU 11 Ca 0.00 1.45 0.02 0.00 0.36 0.00 0.00 54.97 56.81 2w2x s GLU 11 Cb 0.00 -3.06 -0.02 0.00 0.26 0.00 0.00 34.13 31.31 2w2x s GLU 11 CO 0.00 0.38 -0.07 -0.51 -0.54 0.00 0.00 175.26 174.51 2w2x s LEU 12 N -1.59 2.22 0.32 2.70 1.43 -0.40 -4.91 118.68 118.44 2w2x s LEU 12 Ca 0.45 -0.49 -0.26 0.00 -1.03 0.00 0.00 54.13 52.80 2w2x s LEU 12 Cb -0.24 -0.18 -0.10 0.00 0.03 0.00 0.00 46.19 45.71 2w2x s LEU 12 CO 0.29 -0.17 0.96 -0.31 0.23 0.00 0.00 176.35 177.36 2w2x s TYR 13 N -1.20 3.68 0.10 0.29 1.51 -0.11 -1.00 117.35 120.61 2w2x s TYR 13 Ca -0.08 1.78 0.09 0.00 -1.01 0.00 0.00 57.07 57.85 2w2x s TYR 13 Cb -0.09 -2.97 -0.04 0.00 -0.11 0.00 0.00 41.96 38.76 2w2x s TYR 13 CO 0.00 0.12 -0.24 -1.64 -1.11 0.00 0.00 175.55 172.68 2w2x s MET 14 N -1.97 1.30 -0.17 -0.62 -1.94 0.11 -1.18 119.30 114.81 2w2x s MET 14 Ca 0.50 -1.21 -0.04 0.00 -1.71 0.00 0.00 55.69 53.23 2w2x s MET 14 Cb -0.20 -1.63 -0.02 0.00 2.01 0.00 0.00 34.83 34.98 2w2x s MET 14 CO 0.26 0.39 -0.04 -0.46 -0.01 0.00 0.00 175.02 175.16 2w2x s TRP 15 N -1.06 2.99 -0.38 -0.03 -0.11 -0.65 -1.07 118.94 118.63 2w2x s TRP 15 Ca 0.10 -0.47 -0.16 0.00 1.22 0.00 0.00 56.10 56.79 2w2x s TRP 15 Cb -0.10 -1.99 0.00 0.00 -1.50 0.00 0.00 33.47 29.88 2w2x s TRP 15 CO 0.05 -0.18 0.41 0.34 -4.62 0.00 0.00 176.95 172.95 2w2x s ASP 16 N 0.66 6.20 0.39 5.86 2.15 -0.11 -4.69 116.67 127.13 2w2x s ASP 16 Ca -0.02 -0.40 0.06 0.00 0.43 0.00 0.00 52.55 52.62 2w2x s ASP 16 Cb -0.14 -2.21 0.78 0.00 -0.30 0.00 0.00 42.92 41.04 2w2x s ASP 16 CO 0.02 -0.45 2.02 0.28 -0.17 0.00 0.00 175.17 176.87 2w2x h SER 17 N 8.57 0.57 0.00 -0.34 0.02 -1.98 0.12 113.55 120.52 2w2x h SER 17 Ca -0.28 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 2w2x h SER 17 Cb 1.13 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.53 2w2x h SER 17 CO 0.74 0.40 -0.04 0.40 -1.14 0.00 0.00 176.83 177.20 2w2x h ILE 18 N 0.67 1.49 0.00 3.27 5.03 -1.96 -3.34 117.51 122.67 2w2x h ILE 18 Ca 0.21 -2.13 0.00 0.00 -0.12 0.00 0.00 64.86 62.83 2w2x h ILE 18 Cb 0.03 2.82 0.00 0.00 -3.03 0.00 0.00 36.82 36.63 2w2x h ILE 18 CO -0.05 0.50 -0.17 0.47 -0.68 0.00 0.00 178.15 178.22 2w2x n ASP 19 N -4.63 0.49 -3.30 1.72 10.43 -1.22 -4.95 116.55 115.08 2w2x n ASP 19 Ca -0.09 0.37 -0.20 0.00 2.57 0.00 0.00 54.79 57.44 2w2x n ASP 19 Cb 0.41 -0.40 0.08 0.00 1.84 0.00 0.00 41.12 43.05 2w2x n ASP 19 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2w2x n GLN 20 N -1.89 -6.86 -4.10 -1.24 1.13 0.42 -4.99 117.38 99.85 2w2x n GLN 20 Ca 0.06 0.77 -0.08 0.00 -1.94 0.00 0.00 57.00 55.81 2w2x n GLN 20 Cb 0.39 -5.61 -0.10 0.00 0.11 0.00 0.00 30.24 25.03 2w2x n GLN 20 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2w2x s LYS 21 N -5.83 0.68 0.11 -1.09 3.01 -1.22 -4.98 119.74 110.41 2w2x s LYS 21 Ca 0.33 -1.27 0.05 0.00 -1.01 0.00 0.00 55.97 54.07 2w2x s LYS 21 Cb -0.14 0.22 -0.04 0.00 -1.01 0.00 0.00 37.83 36.85 2w2x s LYS 21 CO 0.67 -0.14 0.05 -1.58 0.51 0.00 0.00 175.35 174.86 2w2x s TRP 22 N -3.95 3.07 0.02 3.18 0.52 -1.26 -0.93 118.94 119.59 2w2x s TRP 22 Ca 0.11 -0.00 -0.14 0.00 0.02 0.00 0.00 56.10 56.08 2w2x s TRP 22 Cb 0.08 -1.54 0.02 0.00 -1.15 0.00 0.00 33.47 30.88 2w2x s TRP 22 CO -0.08 0.51 0.29 0.95 0.02 0.00 0.00 176.95 178.64 2w2x s THR 23 N -1.47 0.08 -0.04 2.01 -4.23 -0.23 -4.92 115.64 106.84 2w2x s THR 23 Ca 0.28 -0.62 -0.13 0.00 -1.18 0.00 0.00 61.69 60.04 2w2x s THR 23 Cb -0.11 -0.80 -0.05 0.00 1.34 0.00 0.00 72.50 72.87 2w2x s THR 23 CO 0.21 -0.34 0.35 -0.13 -0.54 0.00 0.00 174.62 174.17 2w2x s ARG 24 N -2.06 3.86 -0.07 3.99 0.52 -1.26 0.04 118.95 123.97 2w2x s ARG 24 Ca -0.08 0.29 -0.04 0.00 -0.52 0.00 0.00 55.73 55.38 2w2x s ARG 24 Cb -0.03 -3.23 0.03 0.00 0.52 0.00 0.00 34.95 32.24 2w2x s ARG 24 CO -0.00 0.66 0.16 -1.01 0.02 0.00 0.00 175.30 175.13 2w2x s HIS 25 N -0.92 -0.19 -0.03 -0.53 3.76 -0.17 -1.83 115.29 115.38 2w2x s HIS 25 Ca 0.22 0.50 -0.30 0.00 -0.15 0.00 0.00 55.06 55.32 2w2x s HIS 25 Cb -0.16 -0.00 -0.05 0.00 1.11 0.00 0.00 32.58 33.49 2w2x s HIS 25 CO 0.11 -0.14 1.39 0.12 -0.85 0.00 0.00 174.74 175.37 2w2x s PHE 26 N 0.69 2.81 0.22 1.40 5.36 -1.26 -1.28 117.98 125.92 2w2x s PHE 26 Ca -0.05 0.82 0.10 0.00 -0.96 0.00 0.00 56.93 56.84 2w2x s PHE 26 Cb -0.07 -3.65 -0.05 0.00 -0.34 0.00 0.00 43.02 38.92 2w2x s PHE 26 CO -0.03 -2.38 -0.19 0.00 -1.46 0.00 0.00 175.22 171.15 2w2x s ALA 28 N -2.35 -1.15 -0.03 0.00 0.00 -0.15 -0.03 121.76 118.06 2w2x s ALA 28 Ca 0.23 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.31 2w2x s ALA 28 Cb -0.05 0.79 -0.00 0.00 0.00 0.00 0.00 23.12 23.86 2w2x s ALA 28 CO 0.10 -0.72 -0.12 0.42 0.00 0.00 0.00 175.76 175.44 2w2x s ILE 29 N -3.80 1.00 -0.10 0.00 1.01 -0.41 -0.26 121.20 118.64 2w2x s ILE 29 Ca 0.04 -0.49 -0.09 0.00 0.00 0.00 0.00 60.65 60.10 2w2x s ILE 29 Cb 0.00 -0.87 0.03 0.00 0.01 0.00 0.00 42.46 41.63 2w2x s ILE 29 CO -0.10 0.30 0.28 0.00 0.00 0.00 0.00 174.94 175.41 2w2x s ALA 30 N 0.05 -0.68 0.00 9.38 0.00 -0.62 -4.41 121.76 125.48 2w2x s ALA 30 Ca -0.02 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.75 2w2x s ALA 30 Cb -0.09 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.56 2w2x s ALA 30 CO 0.01 -0.14 0.00 -0.40 0.00 0.00 0.00 175.76 175.23 2w2x n ASP 31 N 3.05 0.00 -2.35 0.00 5.68 -1.26 -1.09 116.55 120.58 2w2x n ASP 31 Ca -0.14 0.00 -0.00 0.00 -0.50 0.00 0.00 54.79 54.15 2w2x n ASP 31 Cb 0.58 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.61 2w2x n ASP 31 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2w2x n ALA 32 N 6.84 2.73 -3.49 2.12 0.00 -1.26 -5.02 120.51 122.42 2w2x n ALA 32 Ca 0.00 -2.07 -0.33 0.00 0.00 0.00 0.00 53.44 51.04 2w2x n ALA 32 Cb 0.00 -0.78 -0.16 0.00 0.00 0.00 0.00 19.45 18.51 2w2x n ALA 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2w2x s LYS 33 N -1.78 3.11 -0.21 0.00 0.00 -0.25 -0.67 119.74 119.94 2w2x s LYS 33 Ca 0.22 -0.81 -0.19 0.00 0.00 0.00 0.00 55.97 55.19 2w2x s LYS 33 Cb 0.33 -2.49 -0.03 0.00 0.00 0.00 0.00 37.83 35.64 2w2x s LYS 33 CO -0.08 0.04 0.53 -1.17 0.00 0.00 0.00 175.35 174.66 2w2x s LEU 34 N 0.72 4.13 -0.12 2.77 0.20 -0.40 -1.59 118.68 124.39 2w2x s LEU 34 Ca -0.08 0.66 -0.05 0.00 0.69 0.00 0.00 54.13 55.35 2w2x s LEU 34 Cb -0.16 -2.72 -0.04 0.00 -0.43 0.00 0.00 46.19 42.85 2w2x s LEU 34 CO 0.01 -0.20 0.05 -0.94 -0.29 0.00 0.00 176.35 174.98 2w2x s SER 35 N 1.21 5.65 -0.04 3.68 1.04 0.64 0.39 113.70 126.27 2w2x s SER 35 Ca 0.24 0.22 0.06 0.00 0.48 0.00 0.00 55.95 56.95 2w2x s SER 35 Cb -0.15 -1.76 -0.02 0.00 0.10 0.00 0.00 66.02 64.19 2w2x s SER 35 CO 0.09 0.34 -0.20 0.72 0.98 0.00 0.00 173.24 175.17 2w2x s PHE 36 N -0.65 2.52 0.93 5.02 -0.12 -0.43 -0.98 117.98 124.27 2w2x s PHE 36 Ca 0.11 -0.37 -0.16 0.00 -0.05 0.00 0.00 56.93 56.47 2w2x s PHE 36 Cb -0.12 -1.58 0.23 0.00 -0.63 0.00 0.00 43.02 40.91 2w2x s PHE 36 CO 0.02 0.02 0.94 -1.13 -0.05 0.00 0.00 175.22 175.03 2w2x n SER 37 N 2.50 -1.28 -4.42 1.98 3.41 0.10 -1.62 113.62 114.29 2w2x n SER 37 Ca -0.17 -1.14 -0.29 0.00 -0.26 0.00 0.00 58.87 57.01 2w2x n SER 37 Cb 0.52 -0.81 0.22 0.00 -0.26 0.00 0.00 64.21 63.88 2w2x n SER 37 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2w2x s ASP 38 N -4.20 1.53 0.24 4.04 1.01 0.19 -4.51 116.67 114.97 2w2x s ASP 38 Ca 0.58 1.17 -0.31 0.00 0.71 0.00 0.00 52.55 54.70 2w2x s ASP 38 Cb -0.04 -1.80 -0.12 0.00 1.01 0.00 0.00 42.92 41.97 2w2x s ASP 38 CO 0.43 -3.81 1.68 -0.62 0.21 0.00 0.00 175.17 173.07 2w2x s ASP 39 N -3.20 6.37 0.05 0.27 -1.08 -1.26 -4.49 116.67 113.34 2w2x s ASP 39 Ca 0.67 2.90 -0.04 0.00 -0.52 0.00 0.00 52.55 55.57 2w2x s ASP 39 Cb -0.19 -2.61 -0.28 0.00 -1.46 0.00 0.00 42.92 38.37 2w2x s ASP 39 CO 0.60 -0.96 1.05 0.40 0.52 0.00 0.00 175.17 176.78 2w2x h ILE 40 N 3.66 1.39 0.03 4.11 2.04 -1.74 -1.66 117.51 125.34 2w2x h ILE 40 Ca -0.44 -2.98 -0.22 0.00 1.00 0.00 0.00 64.86 62.21 2w2x h ILE 40 Cb 1.21 2.89 -0.00 0.00 -0.74 0.00 0.00 36.82 40.17 2w2x h ILE 40 CO 0.90 0.87 -0.98 -0.33 0.00 0.00 0.00 178.15 178.60 2w2x h GLU 41 N 0.07 0.29 0.13 2.37 5.08 -1.92 -2.55 114.58 118.05 2w2x h GLU 41 Ca -0.17 -0.35 -0.31 0.00 -1.00 0.00 0.00 59.36 57.53 2w2x h GLU 41 Cb 1.99 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 31.34 2w2x h GLU 41 CO 0.19 1.07 -1.54 0.37 -1.00 0.00 0.00 179.01 178.10 2w2x h GLN 42 N 0.14 0.27 0.00 2.33 -0.00 -1.95 -2.29 115.11 113.61 2w2x h GLN 42 Ca -0.08 -0.47 -0.01 0.00 -0.00 0.00 0.00 58.65 58.10 2w2x h GLN 42 Cb 1.64 0.17 -0.00 0.00 0.00 0.00 0.00 27.48 29.29 2w2x h GLN 42 CO 0.16 1.15 -0.04 1.79 0.00 0.00 0.00 178.83 181.89 2w2x h THR 43 N 0.07 0.13 0.00 2.39 1.35 -1.39 -2.50 112.91 112.97 2w2x h THR 43 Ca -0.25 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 2w2x h THR 43 Cb 2.03 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.90 2w2x h THR 43 CO 0.17 0.04 -0.68 0.23 -0.25 0.00 0.00 175.52 175.02 2w2x n MET 44 N -3.18 0.29 -0.01 4.72 2.81 -0.96 -4.00 117.12 116.79 2w2x n MET 44 Ca -0.00 0.07 -0.17 0.00 -1.81 0.00 0.00 57.70 55.79 2w2x n MET 44 Cb 0.28 -1.67 -0.14 0.00 -0.71 0.00 0.00 33.22 30.98 2w2x n MET 44 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2w2x n GLU 45 N -2.07 0.71 0.00 0.03 4.71 -0.87 -4.92 120.64 118.23 2w2x n GLU 45 Ca 0.03 0.26 0.00 0.00 -0.01 0.00 0.00 57.16 57.44 2w2x n GLU 45 Cb 0.44 -1.73 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 2w2x n GLU 45 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2w2x n GLU 46 N -3.31 0.00 0.01 3.49 4.07 -0.95 -4.70 120.64 119.24 2w2x n GLU 46 Ca -0.27 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 56.85 2w2x n GLU 46 Cb 1.05 0.00 0.11 0.00 -0.06 0.00 0.00 31.44 32.54 2w2x n GLU 46 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 2w2x n ASP 47 N 0.00 0.02 -1.37 4.31 5.68 -1.26 -4.56 116.55 119.37 2w2x n ASP 47 Ca 0.00 0.51 0.00 0.00 -0.50 0.00 0.00 54.79 54.80 2w2x n ASP 47 Cb 0.00 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.47 2w2x n ASP 47 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2w2x n ASN 48 N -1.53 0.00 -0.00 -1.12 3.02 -1.26 -5.08 115.26 109.29 2w2x n ASN 48 Ca 0.01 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 2w2x n ASN 48 Cb 0.05 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.21 2w2x n ASN 48 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2w2x n PRO 49 N -0.52 1.64 0.00 3.52 -0.05 -1.26 -4.95 135.00 133.38 2w2x n PRO 49 Ca 0.00 -0.01 0.00 0.00 -0.05 0.00 0.00 63.50 63.44 2w2x n PRO 49 Cb 0.00 -1.05 0.00 0.00 -0.05 0.00 0.00 33.50 32.40 2w2x n PRO 49 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 2w2x n LEU 50 N -1.79 0.00 -0.80 1.53 4.77 -1.26 -4.88 117.00 114.56 2w2x n LEU 50 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2w2x n LEU 50 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2w2x n LEU 50 CO 0.04 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 2w2x n GLY 51 N 0.00 -2.42 3.84 -0.72 0.00 -1.26 -5.03 105.19 99.60 2w2x n GLY 51 Ca 0.00 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 2w2x n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2w2x s SER 52 N 0.00 6.13 0.52 1.61 0.15 -1.26 -4.96 113.70 115.89 2w2x s SER 52 Ca 0.00 0.39 0.22 0.00 0.70 0.00 0.00 55.95 57.26 2w2x s SER 52 Cb 0.00 -1.93 1.40 0.00 -1.71 0.00 0.00 66.02 63.77 2w2x s SER 52 CO 0.00 0.39 2.12 -0.07 1.20 0.00 0.00 173.24 176.88 2w2x h LEU 53 N 4.94 0.00 -6.67 3.45 3.38 -1.93 0.54 115.31 119.01 2w2x h LEU 53 Ca -0.54 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.84 2w2x h LEU 53 Cb 1.22 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.58 2w2x h LEU 53 CO 0.58 0.08 -0.83 0.00 0.09 0.00 0.00 178.44 178.36 2w2x h ARG 55 N 6.55 -0.43 0.00 0.00 9.65 -1.48 -3.48 114.38 125.19 2w2x h ARG 55 Ca 0.09 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 2w2x h ARG 55 Cb 0.93 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.61 2w2x h ARG 55 CO 0.37 -0.29 0.00 0.41 2.80 0.00 0.00 179.97 183.26 2w2x n GLY 56 N 0.14 4.25 3.05 2.80 0.00 -1.17 -5.18 105.19 109.08 2w2x n GLY 56 Ca -0.06 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 2w2x n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2w2x s ILE 57 N -0.01 1.43 0.04 -0.61 1.01 -1.26 -1.31 121.20 120.48 2w2x s ILE 57 Ca 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 2w2x s ILE 57 Cb 0.00 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 2w2x s ILE 57 CO 0.00 0.43 0.23 -0.76 0.00 0.00 0.00 174.94 174.84 2w2x s LEU 58 N 0.91 4.35 -0.65 2.97 1.43 0.16 -4.93 118.68 122.92 2w2x s LEU 58 Ca -0.09 0.39 -0.15 0.00 -1.03 0.00 0.00 54.13 53.26 2w2x s LEU 58 Cb -0.15 -2.83 0.17 0.00 0.03 0.00 0.00 46.19 43.41 2w2x s LEU 58 CO -0.00 0.20 0.60 -0.62 0.23 0.00 0.00 176.35 176.76 2w2x s ASP 59 N -2.15 6.38 0.53 2.29 2.15 -1.26 -1.28 116.67 123.34 2w2x s ASP 59 Ca 0.32 -2.18 0.26 0.00 0.43 0.00 0.00 52.55 51.38 2w2x s ASP 59 Cb -0.13 -2.19 1.41 0.00 -0.30 0.00 0.00 42.92 41.70 2w2x s ASP 59 CO 0.22 -0.73 1.98 -0.07 -0.17 0.00 0.00 175.17 176.40 2w2x h LEU 60 N 8.39 0.00 -2.06 -1.34 3.38 -1.27 0.17 115.31 122.58 2w2x h LEU 60 Ca -0.13 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.95 2w2x h LEU 60 Cb 1.07 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2w2x h LEU 60 CO 0.91 0.00 0.35 0.78 0.09 0.00 0.00 178.44 180.58 2w2x h ASN 61 N 0.00 0.00 -0.55 -0.43 2.35 -1.91 -0.39 115.58 114.66 2w2x h ASN 61 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2w2x h ASN 61 Cb 1.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.47 2w2x h ASN 61 CO -0.00 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.13 2w2x n THR 62 N -3.88 2.14 -4.29 2.81 -2.24 0.58 -4.97 114.28 104.44 2w2x n THR 62 Ca 0.06 -1.36 -0.16 0.00 -2.27 0.00 0.00 64.05 60.32 2w2x n THR 62 Cb 0.52 -0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.62 2w2x n THR 62 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2w2x s TYR 63 N -2.23 1.45 -0.05 4.78 1.51 -0.16 -0.86 117.35 121.79 2w2x s TYR 63 Ca 0.49 -0.75 0.05 0.00 -1.01 0.00 0.00 57.07 55.86 2w2x s TYR 63 Cb 0.35 -0.75 -0.01 0.00 -0.11 0.00 0.00 41.96 41.44 2w2x s TYR 63 CO 0.19 0.13 -0.21 -0.80 -1.11 0.00 0.00 175.55 173.75 2w2x s ASN 64 N -3.24 2.61 0.20 2.29 -0.87 -0.43 -4.83 114.94 110.68 2w2x s ASN 64 Ca 0.21 -0.43 -0.30 0.00 -1.57 0.00 0.00 52.86 50.76 2w2x s ASN 64 Cb 0.02 -0.74 -0.08 0.00 -0.02 0.00 0.00 41.25 40.44 2w2x s ASN 64 CO 0.04 0.20 1.02 -0.69 -2.57 0.00 0.00 177.10 175.09 2w2x s VAL 65 N -0.05 4.00 -0.03 1.60 1.01 -1.26 -1.03 120.40 124.64 2w2x s VAL 65 Ca -0.04 1.84 0.01 0.00 0.00 0.00 0.00 61.98 63.79 2w2x s VAL 65 Cb -0.13 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.10 2w2x s VAL 65 CO 0.03 0.37 -0.04 -0.69 0.00 0.00 0.00 175.10 174.78 2w2x s VAL 66 N -0.65 0.44 -0.16 2.92 1.01 0.22 -4.96 120.40 119.22 2w2x s VAL 66 Ca 0.45 -0.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.21 2w2x s VAL 66 Cb -0.27 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 2w2x s VAL 66 CO 0.34 0.19 0.27 -0.75 0.00 0.00 0.00 175.10 175.16 2w2x s LYS 67 N 0.79 4.21 -0.01 2.72 2.20 -1.26 0.17 119.74 128.56 2w2x s LYS 67 Ca -0.10 0.07 -0.30 0.00 -0.36 0.00 0.00 55.97 55.28 2w2x s LYS 67 Cb -0.13 -3.41 -0.06 0.00 -1.51 0.00 0.00 37.83 32.72 2w2x s LYS 67 CO -0.00 0.28 1.50 0.00 -0.36 0.00 0.00 175.35 176.76 2w2x s ALA 68 N 0.36 3.62 0.24 3.13 0.00 -0.48 -4.92 121.76 123.72 2w2x s ALA 68 Ca 0.16 0.92 -0.05 0.00 0.00 0.00 0.00 51.96 53.00 2w2x s ALA 68 Cb -0.13 -3.65 0.41 0.00 0.00 0.00 0.00 23.12 19.75 2w2x s ALA 68 CO 0.04 -1.09 1.77 -1.35 0.00 0.00 0.00 175.76 175.13 2w2x h PRO 69 N 8.37 0.59 -0.28 0.00 0.11 -1.95 -3.23 132.00 135.60 2w2x h PRO 69 Ca -0.38 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 65.46 2w2x h PRO 69 Cb 1.18 -0.13 -0.35 0.00 0.11 0.00 0.00 31.00 31.80 2w2x h PRO 69 CO 0.93 0.39 -0.98 1.04 -0.21 0.00 0.00 178.00 179.17 2w2x n GLN 70 N -4.87 1.40 0.00 1.05 6.02 -1.26 -5.11 117.38 114.61 2w2x n GLN 70 Ca 0.13 -3.07 0.00 0.00 -0.01 0.00 0.00 57.00 54.05 2w2x n GLN 70 Cb 0.34 -1.17 0.00 0.00 1.02 0.00 0.00 30.24 30.43 2w2x n GLN 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2w2x n GLY 71 N -0.31 -1.80 3.64 1.08 0.00 -1.20 -4.88 105.19 101.72 2w2x n GLY 71 Ca 0.13 -1.37 -0.04 0.00 0.00 0.00 0.00 46.02 44.74 2w2x n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2w2x s LYS 72 N 0.00 0.28 -1.35 1.61 2.20 -0.91 -4.88 119.74 116.69 2w2x s LYS 72 Ca 0.00 0.38 -0.04 0.00 -0.36 0.00 0.00 55.97 55.95 2w2x s LYS 72 Cb 0.00 0.11 0.02 0.00 -1.51 0.00 0.00 37.83 36.45 2w2x s LYS 72 CO 0.00 -0.04 0.85 0.09 -0.36 0.00 0.00 175.35 175.88 2w2x n ASN 73 N 2.47 -2.56 -0.06 1.43 3.02 -1.26 -1.24 115.26 117.07 2w2x n ASN 73 Ca -0.14 -0.76 -0.01 0.00 -0.03 0.00 0.00 54.58 53.64 2w2x n ASN 73 Cb 0.57 -4.24 -0.00 0.00 -0.61 0.00 0.00 39.78 35.50 2w2x n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2w2x n GLN 74 N -4.41 -0.94 -3.95 3.52 6.02 -1.26 -5.01 117.38 111.34 2w2x n GLN 74 Ca -0.19 0.29 -0.30 0.00 -0.01 0.00 0.00 57.00 56.79 2w2x n GLN 74 Cb 0.63 -4.03 -0.04 0.00 1.02 0.00 0.00 30.24 27.82 2w2x n GLN 74 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2w2x s LYS 75 N -1.12 3.34 -0.05 -1.09 -0.14 -0.37 -5.08 119.74 115.22 2w2x s LYS 75 Ca 0.00 -0.53 -0.02 0.00 -1.36 0.00 0.00 55.97 54.06 2w2x s LYS 75 Cb 0.00 -2.96 -0.27 0.00 -1.68 0.00 0.00 37.83 32.92 2w2x s LYS 75 CO 0.00 0.58 0.63 0.77 -0.76 0.00 0.00 175.35 176.57 2w2x h SER 76 N 2.88 0.36 -3.81 2.83 0.02 -1.86 -2.42 113.55 111.54 2w2x h SER 76 Ca -0.46 -0.63 -0.70 0.00 -0.84 0.00 0.00 61.79 59.15 2w2x h SER 76 Cb 1.17 -0.12 -0.34 0.00 0.14 0.00 0.00 62.40 63.25 2w2x h SER 76 CO 0.72 1.55 -0.41 -0.36 -1.14 0.00 0.00 176.83 177.19 2w2x s PHE 77 N -2.59 3.49 -0.02 3.45 0.08 -1.26 -3.25 117.98 117.88 2w2x s PHE 77 Ca -0.14 -2.50 0.03 0.00 0.12 0.00 0.00 56.93 54.45 2w2x s PHE 77 Cb 0.07 -3.27 -0.00 0.00 -0.57 0.00 0.00 43.02 39.25 2w2x s PHE 77 CO 0.82 -0.91 -0.12 0.54 -0.10 0.00 0.00 175.22 175.45 2w2x s VAL 78 N 0.52 0.97 0.23 -0.44 0.11 -1.26 -1.25 120.40 119.27 2w2x s VAL 78 Ca 0.13 -0.48 0.10 0.00 -2.93 0.00 0.00 61.98 58.79 2w2x s VAL 78 Cb -0.21 -0.83 -0.05 0.00 -1.53 0.00 0.00 36.38 33.76 2w2x s VAL 78 CO -0.04 0.29 -0.18 0.72 -3.33 0.00 0.00 175.10 172.56 2w2x s PHE 79 N -0.01 2.02 -0.03 1.54 -0.71 -1.00 -1.38 117.98 118.40 2w2x s PHE 79 Ca -0.00 -0.44 0.03 0.00 -1.04 0.00 0.00 56.93 55.48 2w2x s PHE 79 Cb -0.08 -0.92 0.00 0.00 -1.21 0.00 0.00 43.02 40.82 2w2x s PHE 79 CO 0.00 0.52 -0.11 0.42 -1.34 0.00 0.00 175.22 174.71 2w2x s ILE 80 N -2.55 0.94 -0.57 -4.49 1.01 0.13 -0.92 121.20 114.75 2w2x s ILE 80 Ca 0.25 -0.44 -0.19 0.00 0.00 0.00 0.00 60.65 60.26 2w2x s ILE 80 Cb -0.04 -0.83 0.10 0.00 0.01 0.00 0.00 42.46 41.70 2w2x s ILE 80 CO 0.10 0.29 0.67 -0.76 0.00 0.00 0.00 174.94 175.24 2w2x s LEU 81 N 0.18 5.37 -0.30 2.97 1.02 -0.15 -0.61 118.68 127.16 2w2x s LEU 81 Ca -0.04 -1.36 -0.20 0.00 0.02 0.00 0.00 54.13 52.55 2w2x s LEU 81 Cb -0.10 -2.32 -0.01 0.00 0.02 0.00 0.00 46.19 43.78 2w2x s LEU 81 CO 0.01 -1.05 0.60 -1.61 0.02 0.00 0.00 176.35 174.32 2w2x s GLU 82 N 2.58 3.91 0.46 1.70 2.02 -0.19 -2.14 118.70 127.03 2w2x s GLU 82 Ca 0.11 0.27 -0.24 0.00 0.02 0.00 0.00 54.97 55.13 2w2x s GLU 82 Cb -0.24 -3.72 -0.07 0.00 0.10 0.00 0.00 34.13 30.20 2w2x s GLU 82 CO 0.07 -0.53 1.33 -1.25 0.02 0.00 0.00 175.26 174.89 2w2x s PRO 83 N 2.53 3.66 0.11 0.39 0.05 -1.26 -1.31 135.00 139.17 2w2x s PRO 83 Ca 0.24 2.19 0.16 0.00 0.05 0.00 0.00 61.00 63.64 2w2x s PRO 83 Cb -0.15 -2.56 -0.09 0.00 0.05 0.00 0.00 34.50 31.75 2w2x s PRO 83 CO 0.11 -0.76 0.97 0.87 0.05 0.00 0.00 177.00 178.25 2w2x h LYS 84 N 2.20 0.00 0.00 4.56 1.57 -1.34 -3.46 116.57 120.10 2w2x h LYS 84 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2w2x h LYS 84 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2w2x h LYS 84 CO 0.61 0.34 0.00 1.04 -0.57 0.00 0.00 179.45 180.86 2w2x n GLN 85 N -2.96 0.00 -0.54 3.15 6.02 -1.26 -5.10 117.38 116.69 2w2x n GLN 85 Ca -0.07 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 56.99 2w2x n GLN 85 Cb 0.81 -0.08 -0.03 0.00 1.02 0.00 0.00 30.24 31.95 2w2x n GLN 85 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 2w2x n ASP 88 N -0.63 -3.00 -4.63 1.08 5.75 -1.26 -5.17 116.55 108.69 2w2x n ASP 88 Ca 0.00 0.52 -0.26 0.00 -0.01 0.00 0.00 54.79 55.04 2w2x n ASP 88 Cb 0.00 -1.85 -0.09 0.00 -1.03 0.00 0.00 41.12 38.15 2w2x n ASP 88 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2w2x s PRO 89 N -3.30 2.03 0.48 0.11 0.05 -1.26 -4.83 135.00 128.27 2w2x s PRO 89 Ca 0.00 -1.90 -0.23 0.00 0.05 0.00 0.00 61.00 58.92 2w2x s PRO 89 Cb 0.00 -1.82 -0.07 0.00 0.05 0.00 0.00 34.50 32.66 2w2x s PRO 89 CO 0.00 0.03 1.21 -2.14 0.05 0.00 0.00 177.00 176.15 2w2x s PRO 90 N -3.73 3.64 -0.17 0.56 0.02 -1.26 -4.58 135.00 129.48 2w2x s PRO 90 Ca 0.36 1.87 -0.01 0.00 0.02 0.00 0.00 61.00 63.23 2w2x s PRO 90 Cb 0.04 -2.38 -0.01 0.00 0.02 0.00 0.00 34.50 32.17 2w2x s PRO 90 CO 0.19 -0.68 -0.11 0.08 -0.33 0.00 0.00 177.00 176.16 2w2x s VAL 91 N -1.49 3.07 -0.27 3.83 1.01 -0.91 -4.95 120.40 120.68 2w2x s VAL 91 Ca 0.65 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 2w2x s VAL 91 Cb -0.31 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 2w2x s VAL 91 CO 0.37 0.49 0.11 -1.61 0.00 0.00 0.00 175.10 174.46 2w2x s GLU 92 N 0.84 3.58 0.37 2.72 2.02 -1.26 -0.98 118.70 126.00 2w2x s GLU 92 Ca -0.03 -0.54 0.08 0.00 0.02 0.00 0.00 54.97 54.50 2w2x s GLU 92 Cb -0.15 -3.43 -0.03 0.00 0.10 0.00 0.00 34.13 30.62 2w2x s GLU 92 CO 0.01 -0.26 0.26 -0.06 0.02 0.00 0.00 175.26 175.22 2w2x s PHE 93 N 1.63 2.74 -0.08 1.61 0.40 -0.10 -1.64 117.98 122.54 2w2x s PHE 93 Ca 0.06 -0.43 -0.25 0.00 -0.60 0.00 0.00 56.93 55.71 2w2x s PHE 93 Cb -0.16 -1.89 0.06 0.00 0.51 0.00 0.00 43.02 41.54 2w2x s PHE 93 CO 0.05 0.14 0.58 0.00 0.70 0.00 0.00 175.22 176.69 2w2x s ALA 94 N -2.44 -1.49 0.34 5.36 0.00 -0.33 -2.37 121.76 120.83 2w2x s ALA 94 Ca 0.42 1.18 0.09 0.00 0.00 0.00 0.00 51.96 53.65 2w2x s ALA 94 Cb -0.03 -0.19 -0.06 0.00 0.00 0.00 0.00 23.12 22.85 2w2x s ALA 94 CO 0.25 -0.33 -0.03 0.95 0.00 0.00 0.00 175.76 176.61 2w2x s THR 95 N -0.91 2.54 -0.07 0.00 -4.23 -0.38 -0.93 115.64 111.65 2w2x s THR 95 Ca -0.09 -2.05 -0.24 0.00 -1.18 0.00 0.00 61.69 58.13 2w2x s THR 95 Cb -0.02 -2.74 -0.29 0.00 1.34 0.00 0.00 72.50 70.80 2w2x s THR 95 CO 0.07 -0.21 0.89 0.44 -0.54 0.00 0.00 174.62 175.27 2w2x h ASP 96 N 1.89 0.33 -3.31 3.99 3.32 -1.93 -3.39 116.42 117.32 2w2x h ASP 96 Ca -0.42 -0.93 -0.28 0.00 0.02 0.00 0.00 57.03 55.42 2w2x h ASP 96 Cb 1.25 -0.11 -0.34 0.00 0.22 0.00 0.00 39.33 40.36 2w2x h ASP 96 CO 0.67 1.23 -0.64 -0.75 -1.72 0.00 0.00 179.24 178.04 2w2x s LYS 97 N -2.51 0.04 0.54 3.56 2.20 -1.26 -4.93 119.74 117.38 2w2x s LYS 97 Ca -0.15 0.42 0.42 0.00 -0.36 0.00 0.00 55.97 56.30 2w2x s LYS 97 Cb 0.00 -0.24 1.44 0.00 -1.51 0.00 0.00 37.83 37.51 2w2x s LYS 97 CO 0.79 -0.23 1.42 1.55 -0.36 0.00 0.00 175.35 178.51 2w2x n VAL 98 N 4.69 0.00 0.30 4.02 3.14 -1.26 -0.77 118.33 128.45 2w2x n VAL 98 Ca -0.17 1.36 0.18 0.00 -2.96 0.00 0.00 64.34 62.75 2w2x n VAL 98 Cb 0.51 -2.31 0.77 0.00 -1.06 0.00 0.00 33.84 31.75 2w2x n VAL 98 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 2w2x h GLU 99 N 0.00 0.00 0.01 1.45 9.09 -2.00 -0.90 114.58 122.23 2w2x h GLU 99 Ca 0.78 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 60.19 2w2x h GLU 99 Cb 3.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 30.50 2w2x h GLU 99 CO -0.01 0.00 -0.00 0.93 0.05 0.00 0.00 179.01 179.98 2w2x h GLU 100 N 0.00 -0.01 -0.98 1.06 3.07 -1.37 -3.01 114.58 113.34 2w2x h GLU 100 Ca 0.00 0.00 0.23 0.00 -0.50 0.00 0.00 59.36 59.09 2w2x h GLU 100 Cb 0.36 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 28.08 2w2x h GLU 100 CO 0.00 0.67 -0.12 1.25 -1.40 0.00 0.00 179.01 179.41 2w2x h LEU 101 N -0.98 -0.71 0.33 1.33 5.85 -1.26 0.17 115.31 120.03 2w2x h LEU 101 Ca -0.00 0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 2w2x h LEU 101 Cb 0.68 0.55 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2w2x h LEU 101 CO 0.00 -0.34 -0.16 0.15 -0.34 0.00 0.00 178.44 177.75 2w2x h PHE 102 N 0.00 -0.41 -0.36 1.25 3.57 -1.26 -0.46 116.94 119.27 2w2x h PHE 102 Ca 0.53 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.02 2w2x h PHE 102 Cb 0.95 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 2w2x h PHE 102 CO -0.64 -0.20 0.24 1.49 -2.23 0.00 0.00 178.31 176.97 2w2x h GLU 103 N -0.53 0.48 0.70 1.11 4.81 -1.20 -1.92 114.58 118.02 2w2x h GLU 103 Ca -0.05 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 2w2x h GLU 103 Cb 0.40 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.68 2w2x h GLU 103 CO 0.07 0.32 -0.33 -1.49 -0.73 0.00 0.00 179.01 176.85 2w2x h TRP 104 N 0.49 -0.87 -0.78 0.92 4.06 -0.60 -2.50 115.95 116.67 2w2x h TRP 104 Ca 0.13 -0.02 0.18 0.00 2.06 0.00 0.00 58.89 61.25 2w2x h TRP 104 Cb -0.05 0.29 -0.13 0.00 -1.00 0.00 0.00 29.16 28.26 2w2x h TRP 104 CO -0.05 -0.51 0.04 0.35 -3.56 0.00 0.00 178.44 174.70 2w2x h PHE 105 N -1.04 0.01 -0.41 0.49 3.57 -1.03 0.65 116.94 119.17 2w2x h PHE 105 Ca -0.10 0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.36 2w2x h PHE 105 Cb 0.74 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 2w2x h PHE 105 CO -0.01 -0.24 -0.12 1.96 -2.23 0.00 0.00 178.31 177.66 2w2x h GLN 106 N 0.12 0.81 -0.88 1.11 1.08 -1.28 0.31 115.11 116.39 2w2x h GLN 106 Ca 0.44 -0.32 0.21 0.00 -1.45 0.00 0.00 58.65 57.52 2w2x h GLN 106 Cb 0.80 -0.04 -0.16 0.00 -0.05 0.00 0.00 27.48 28.03 2w2x h GLN 106 CO -0.67 0.95 -0.05 1.03 -0.95 0.00 0.00 178.83 179.13 2w2x h SER 107 N 0.63 -0.53 0.63 1.46 0.87 -0.97 0.26 113.55 115.91 2w2x h SER 107 Ca 0.10 0.24 -0.25 0.00 -1.23 0.00 0.00 61.79 60.65 2w2x h SER 107 Cb 0.66 0.45 -0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2w2x h SER 107 CO 0.05 -0.27 -1.14 0.40 -0.53 0.00 0.00 176.83 175.34 2w2x h ILE 108 N 0.04 1.51 -0.85 2.23 2.04 -0.03 -3.22 117.51 119.23 2w2x h ILE 108 Ca 0.48 -2.98 0.04 0.00 1.00 0.00 0.00 64.86 63.41 2w2x h ILE 108 Cb 0.88 2.82 -0.05 0.00 -0.74 0.00 0.00 36.82 39.72 2w2x h ILE 108 CO -0.82 0.87 0.56 -0.09 0.00 0.00 0.00 178.15 178.66 2w2x h ARG 109 N 0.09 1.00 -0.74 2.37 2.43 -0.16 0.19 114.38 119.55 2w2x h ARG 109 Ca -0.10 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.96 2w2x h ARG 109 Cb 1.85 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 31.14 2w2x h ARG 109 CO 0.18 0.66 0.30 0.93 -1.51 0.00 0.00 179.97 180.53 2w2x h GLU 110 N 1.03 1.10 -0.54 0.20 5.08 -0.70 -2.13 114.58 118.61 2w2x h GLU 110 Ca 0.35 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 2w2x h GLU 110 Cb 0.09 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2w2x h GLU 110 CO -0.11 0.89 0.06 0.82 -1.00 0.00 0.00 179.01 179.67 2w2x h ILE 111 N 1.07 1.26 0.00 3.13 2.04 -0.87 -3.24 117.51 120.90 2w2x h ILE 111 Ca 0.25 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 65.10 2w2x h ILE 111 Cb 0.20 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2w2x h ILE 111 CO -0.02 0.36 -0.00 0.35 0.00 0.00 0.00 178.15 178.84 2w2x n THR 112 N -4.33 0.40 1.44 -0.27 -2.24 0.43 -4.91 114.28 104.79 2w2x n THR 112 Ca 0.02 -0.19 0.14 0.00 -2.27 0.00 0.00 64.05 61.75 2w2x n THR 112 Cb 0.29 -0.56 0.47 0.00 -2.10 0.00 0.00 70.33 68.44 2w2x n THR 112 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29