#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3llj n PRO 13 N 0.00 2.25 0.00 5.56 -0.04 -1.26 -2.00 135.00 139.51 3llj n PRO 13 Ca 0.00 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 3llj n PRO 13 Cb 0.00 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 30.93 3llj n PRO 13 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3llj n GLY 14 N 2.58 2.50 1.71 0.55 0.00 -1.24 -4.77 105.19 106.52 3llj n GLY 14 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3llj n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3llj n GLY 15 N -1.92 -2.42 1.91 -0.02 0.00 -0.85 -3.57 105.19 98.32 3llj n GLY 15 Ca 0.00 -1.59 0.06 0.00 0.00 0.00 0.00 46.02 44.49 3llj n GLY 15 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3llj n ASP 16 N -0.38 5.70 -4.97 1.61 5.68 -1.26 -4.37 116.55 118.56 3llj n ASP 16 Ca 0.00 -2.95 -0.22 0.00 -0.50 0.00 0.00 54.79 51.12 3llj n ASP 16 Cb 0.00 -0.69 0.02 0.00 -1.14 0.00 0.00 41.12 39.31 3llj n ASP 16 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3llj s THR 17 N -2.78 2.13 0.25 2.12 -4.23 -1.26 -4.94 115.64 106.93 3llj s THR 17 Ca 0.55 -1.22 -0.03 0.00 -1.18 0.00 0.00 61.69 59.81 3llj s THR 17 Cb 0.42 -2.34 0.24 0.00 1.34 0.00 0.00 72.50 72.15 3llj s THR 17 CO 0.16 0.00 1.71 0.40 -0.54 0.00 0.00 174.62 176.34 3llj h ILE 18 N 0.53 0.57 0.00 2.99 2.04 -1.98 -1.37 117.51 120.29 3llj h ILE 18 Ca -0.35 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.32 3llj h ILE 18 Cb 1.29 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3llj h ILE 18 CO 0.49 0.07 -0.30 -0.26 0.00 0.00 0.00 178.15 178.14 3llj h PHE 19 N 0.37 0.00 -0.53 1.37 0.04 -1.94 -2.18 116.94 114.07 3llj h PHE 19 Ca 0.44 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.19 3llj h PHE 19 Cb 0.74 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.87 3llj h PHE 19 CO -0.20 0.30 0.22 0.78 -0.60 0.00 0.00 178.31 178.82 3llj h GLY 20 N 1.50 0.84 1.03 -1.45 0.00 -1.31 -0.03 103.07 103.65 3llj h GLY 20 Ca -0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 3llj h GLY 20 CO 0.04 0.43 0.40 0.50 0.00 0.00 0.00 176.54 177.91 3llj h LYS 21 N 0.71 1.16 -0.46 4.80 1.57 -1.23 -1.40 116.57 121.72 3llj h LYS 21 Ca 0.18 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3llj h LYS 21 Cb 0.19 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3llj h LYS 21 CO -0.02 0.89 0.08 0.82 -0.57 0.00 0.00 179.45 180.65 3llj h ILE 22 N 1.15 1.24 -0.93 1.86 2.04 -1.16 -1.36 117.51 120.35 3llj h ILE 22 Ca 0.28 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3llj h ILE 22 Cb 0.10 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 3llj h ILE 22 CO -0.04 0.31 0.59 0.40 0.00 0.00 0.00 178.15 179.41 3llj h ILE 23 N 0.62 1.25 -0.00 -0.67 2.04 -0.72 -1.40 117.51 118.63 3llj h ILE 23 Ca 0.14 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3llj h ILE 23 Cb 0.37 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3llj h ILE 23 CO 0.01 0.25 -0.02 0.54 0.00 0.00 0.00 178.15 178.93 3llj n ARG 24 N -4.37 0.53 -1.28 2.37 1.74 -0.55 -4.89 116.66 110.20 3llj n ARG 24 Ca 0.11 -0.04 -0.08 0.00 -0.77 0.00 0.00 57.85 57.06 3llj n ARG 24 Cb 0.04 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.95 3llj n ARG 24 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3llj n LYS 25 N -1.20 -0.57 -0.03 5.56 4.76 -0.53 -4.92 118.16 121.24 3llj n LYS 25 Ca 0.15 0.77 -0.15 0.00 -2.87 0.00 0.00 58.31 56.21 3llj n LYS 25 Cb 0.24 -4.62 -0.04 0.00 -1.84 0.00 0.00 35.03 28.76 3llj n LYS 25 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3llj h GLU 26 N 0.00 0.76 -5.34 1.97 5.08 -1.52 -3.48 114.58 112.05 3llj h GLU 26 Ca -0.17 -0.57 -0.58 0.00 -1.00 0.00 0.00 59.36 57.04 3llj h GLU 26 Cb 0.56 0.10 -0.13 0.00 0.50 0.00 0.00 28.75 29.78 3llj h GLU 26 CO 0.25 1.19 -0.57 0.96 -1.00 0.00 0.00 179.01 179.83 3llj s ILE 27 N -3.84 1.36 0.11 3.13 -4.36 -1.22 -5.05 121.20 111.33 3llj s ILE 27 Ca -0.10 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.07 3llj s ILE 27 Cb 0.09 -2.67 -0.07 0.00 1.25 0.00 0.00 42.46 41.06 3llj s ILE 27 CO 0.89 0.00 0.67 -2.84 0.24 0.00 0.00 174.94 173.90 3llj s PRO 28 N -3.80 4.39 0.17 0.37 0.02 -1.26 -4.66 135.00 130.22 3llj s PRO 28 Ca 0.28 0.95 -0.21 0.00 0.02 0.00 0.00 61.00 62.03 3llj s PRO 28 Cb 0.07 -3.26 0.06 0.00 0.02 0.00 0.00 34.50 31.39 3llj s PRO 28 CO 0.14 0.59 0.57 0.00 -0.33 0.00 0.00 177.00 177.97 3llj s ALA 29 N -1.07 -1.39 -1.15 -1.55 0.00 -1.26 -5.00 121.76 110.33 3llj s ALA 29 Ca 0.32 0.26 -0.11 0.00 0.00 0.00 0.00 51.96 52.44 3llj s ALA 29 Cb -0.21 0.85 0.23 0.00 0.00 0.00 0.00 23.12 23.99 3llj s ALA 29 CO 0.23 -0.78 1.24 0.15 0.00 0.00 0.00 175.76 176.60 3llj s LYS 30 N -3.79 4.15 0.04 0.00 1.02 -1.26 -5.03 119.74 114.86 3llj s LYS 30 Ca 0.03 -2.94 -0.30 0.00 0.02 0.00 0.00 55.97 52.78 3llj s LYS 30 Cb -0.01 -4.77 -0.04 0.00 -0.52 0.00 0.00 37.83 32.49 3llj s LYS 30 CO -0.10 -1.46 0.96 0.42 -0.92 0.00 0.00 175.35 174.25 3llj s ILE 31 N -0.06 4.74 -0.13 2.17 1.01 -1.26 -2.04 121.20 125.64 3llj s ILE 31 Ca 0.35 2.04 0.05 0.00 0.00 0.00 0.00 60.65 63.09 3llj s ILE 31 Cb -0.07 -4.31 -0.06 0.00 0.01 0.00 0.00 42.46 38.03 3llj s ILE 31 CO -0.05 0.22 0.16 2.30 0.00 0.00 0.00 174.94 177.58 3llj n ILE 32 N 3.49 0.00 -3.62 2.92 -5.35 0.08 -4.97 119.36 111.91 3llj n ILE 32 Ca 0.04 -0.26 -0.14 0.00 -0.27 0.00 0.00 62.75 62.12 3llj n ILE 32 Cb 0.50 0.72 -0.07 0.00 -1.74 0.00 0.00 39.64 39.06 3llj n ILE 32 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 3llj s PHE 33 N -1.86 -0.76 -0.12 4.28 2.19 -1.17 -4.97 117.98 115.57 3llj s PHE 33 Ca 0.00 1.81 -0.09 0.00 0.33 0.00 0.00 56.93 58.98 3llj s PHE 33 Cb 0.03 0.29 0.04 0.00 -1.31 0.00 0.00 43.02 42.07 3llj s PHE 33 CO 0.20 -0.39 0.30 -2.00 1.83 0.00 0.00 175.22 175.16 3llj s GLU 34 N 0.22 0.33 0.03 10.12 2.12 -1.26 -0.97 118.70 129.28 3llj s GLU 34 Ca -0.01 0.49 0.01 0.00 0.36 0.00 0.00 54.97 55.81 3llj s GLU 34 Cb -0.04 0.09 -0.00 0.00 0.26 0.00 0.00 34.13 34.43 3llj s GLU 34 CO 0.02 -0.08 0.03 -0.40 -0.54 0.00 0.00 175.26 174.28 3llj n ASP 35 N 3.34 -0.02 0.10 -1.70 5.68 -0.76 -5.03 116.55 118.16 3llj n ASP 35 Ca -0.17 -1.21 0.11 0.00 -0.50 0.00 0.00 54.79 53.03 3llj n ASP 35 Cb 0.57 0.16 0.45 0.00 -1.14 0.00 0.00 41.12 41.16 3llj n ASP 35 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3llj n ASP 36 N -2.83 0.56 -0.05 -1.12 8.00 -1.26 -3.53 116.55 116.32 3llj n ASP 36 Ca 0.01 0.61 0.02 0.00 0.71 0.00 0.00 54.79 56.14 3llj n ASP 36 Cb 0.06 -0.74 -0.16 0.00 -0.02 0.00 0.00 41.12 40.26 3llj n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3llj n GLN 37 N -2.09 0.67 -3.84 -1.24 6.02 -1.26 -4.85 117.38 110.79 3llj n GLN 37 Ca 0.03 -0.11 -0.06 0.00 -0.01 0.00 0.00 57.00 56.85 3llj n GLN 37 Cb 0.26 -1.53 -0.02 0.00 1.02 0.00 0.00 30.24 29.98 3llj n GLN 37 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3llj s LEU 39 N -2.93 2.06 0.00 0.00 2.96 -0.47 -1.82 118.68 118.48 3llj s LEU 39 Ca 0.11 -0.15 0.07 0.00 -0.22 0.00 0.00 54.13 53.94 3llj s LEU 39 Cb -0.05 -0.09 -0.02 0.00 0.50 0.00 0.00 46.19 46.53 3llj s LEU 39 CO 0.06 -0.04 -0.22 0.00 -1.32 0.00 0.00 176.35 174.83 3llj s ALA 40 N -0.38 1.87 0.03 5.97 0.00 -0.14 -0.94 121.76 128.17 3llj s ALA 40 Ca -0.03 -1.02 -0.23 0.00 0.00 0.00 0.00 51.96 50.69 3llj s ALA 40 Cb -0.03 -0.44 0.05 0.00 0.00 0.00 0.00 23.12 22.70 3llj s ALA 40 CO -0.00 0.45 0.52 -0.59 0.00 0.00 0.00 175.76 176.14 3llj s PHE 41 N -0.62 -0.43 0.38 0.00 -0.71 -0.34 -0.74 117.98 115.52 3llj s PHE 41 Ca 0.09 0.54 -0.27 0.00 -1.04 0.00 0.00 56.93 56.25 3llj s PHE 41 Cb -0.09 0.33 -0.09 0.00 -1.21 0.00 0.00 43.02 41.96 3llj s PHE 41 CO 0.00 -0.62 1.30 -1.01 -1.34 0.00 0.00 175.22 173.55 3llj s HIS 42 N -2.19 2.90 0.29 3.49 3.76 -0.86 -0.78 115.29 121.90 3llj s HIS 42 Ca -0.07 1.42 -0.29 0.00 -0.15 0.00 0.00 55.06 55.97 3llj s HIS 42 Cb -0.01 -3.66 -0.10 0.00 1.11 0.00 0.00 32.58 29.92 3llj s HIS 42 CO 0.00 -1.98 1.13 0.34 -0.85 0.00 0.00 174.74 173.38 3llj s ASP 43 N -0.68 7.18 0.43 1.40 -1.08 -0.22 -4.67 116.67 119.04 3llj s ASP 43 Ca 0.54 2.33 0.26 0.00 -0.52 0.00 0.00 52.55 55.16 3llj s ASP 43 Cb -0.38 -2.63 0.67 0.00 -1.46 0.00 0.00 42.92 39.12 3llj s ASP 43 CO 0.50 -0.21 1.72 -0.29 0.52 0.00 0.00 175.17 177.41 3llj h ILE 44 N 3.07 0.00 -2.29 4.11 6.09 -1.93 -3.32 117.51 123.23 3llj h ILE 44 Ca -0.47 -0.79 -0.63 0.00 -1.37 0.00 0.00 64.86 61.60 3llj h ILE 44 Cb 1.21 1.78 -0.39 0.00 0.47 0.00 0.00 36.82 39.89 3llj h ILE 44 CO 0.67 0.00 -0.33 -0.24 -3.07 0.00 0.00 178.15 175.18 3llj n SER 45 N -2.96 4.92 -4.77 2.19 2.88 -1.26 -5.10 113.62 109.51 3llj n SER 45 Ca 0.03 -3.65 -0.41 0.00 -1.33 0.00 0.00 58.87 53.51 3llj n SER 45 Cb 0.45 -0.69 -0.01 0.00 -0.75 0.00 0.00 64.21 63.21 3llj n SER 45 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3llj s PRO 46 N -3.47 4.24 0.00 -1.46 0.04 -1.25 -4.90 135.00 128.20 3llj s PRO 46 Ca 0.46 2.36 0.16 0.00 0.04 0.00 0.00 61.00 64.02 3llj s PRO 46 Cb 0.24 -3.02 0.30 0.00 0.04 0.00 0.00 34.50 32.07 3llj s PRO 46 CO -0.11 -0.34 1.21 1.04 0.04 0.00 0.00 177.00 178.83 3llj n GLN 47 N 0.63 2.10 -3.80 4.56 1.13 -1.26 -4.98 117.38 115.75 3llj n GLN 47 Ca 0.01 -1.92 -0.09 0.00 -1.94 0.00 0.00 57.00 53.05 3llj n GLN 47 Cb 0.41 -1.36 -0.04 0.00 0.11 0.00 0.00 30.24 29.37 3llj n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3llj s ALA 48 N -1.16 -0.87 0.42 -1.58 0.00 -1.26 -5.04 121.76 112.26 3llj s ALA 48 Ca 0.27 -0.34 0.09 0.00 0.00 0.00 0.00 51.96 51.98 3llj s ALA 48 Cb 0.16 0.89 0.92 0.00 0.00 0.00 0.00 23.12 25.08 3llj s ALA 48 CO 0.22 -0.85 2.03 -1.35 0.00 0.00 0.00 175.76 175.81 3llj h PRO 49 N 2.17 0.49 -5.25 0.00 0.11 -1.80 -3.33 132.00 124.39 3llj h PRO 49 Ca -0.27 -0.03 -0.67 0.00 0.11 0.00 0.00 66.00 65.14 3llj h PRO 49 Cb 1.26 -0.11 -0.31 0.00 0.11 0.00 0.00 31.00 31.95 3llj h PRO 49 CO 0.35 0.33 -0.83 0.99 -0.21 0.00 0.00 178.00 178.63 3llj s THR 50 N -5.46 2.50 -0.24 -1.15 2.01 -0.58 -5.01 115.64 107.71 3llj s THR 50 Ca -0.08 -0.84 -0.03 0.00 0.31 0.00 0.00 61.69 61.05 3llj s THR 50 Cb 0.18 -2.02 0.13 0.00 0.01 0.00 0.00 72.50 70.80 3llj s THR 50 CO 0.74 0.53 0.36 -2.28 -0.69 0.00 0.00 174.62 173.28 3llj s HIS 51 N 0.62 -0.76 0.25 4.92 5.04 -1.25 -1.02 115.29 123.08 3llj s HIS 51 Ca -0.10 0.71 0.03 0.00 -1.54 0.00 0.00 55.06 54.16 3llj s HIS 51 Cb -0.16 -0.05 -0.05 0.00 0.04 0.00 0.00 32.58 32.36 3llj s HIS 51 CO 0.03 -0.72 0.02 -0.59 -2.34 0.00 0.00 174.74 171.14 3llj s PHE 52 N 2.51 1.60 0.05 3.88 -0.71 -0.55 -1.05 117.98 123.72 3llj s PHE 52 Ca 0.12 -0.97 0.09 0.00 -1.04 0.00 0.00 56.93 55.12 3llj s PHE 52 Cb -0.15 -0.95 -0.03 0.00 -1.21 0.00 0.00 43.02 40.68 3llj s PHE 52 CO -0.16 -0.08 -0.23 -0.51 -1.34 0.00 0.00 175.22 172.89 3llj s LEU 53 N -3.33 2.38 -0.13 -1.99 1.43 0.04 -0.75 118.68 116.34 3llj s LEU 53 Ca 0.31 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 52.90 3llj s LEU 53 Cb 0.06 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.91 3llj s LEU 53 CO 0.10 0.25 -0.22 -0.69 0.23 0.00 0.00 176.35 176.02 3llj s VAL 54 N -0.89 2.04 0.01 -1.59 1.01 0.15 -1.20 120.40 119.93 3llj s VAL 54 Ca 0.13 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.19 3llj s VAL 54 Cb -0.10 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 3llj s VAL 54 CO 0.04 0.55 -0.15 0.27 0.00 0.00 0.00 175.10 175.81 3llj s ILE 55 N 0.75 1.15 0.49 2.22 -4.36 -0.11 -0.89 121.20 120.45 3llj s ILE 55 Ca -0.09 -0.81 -0.21 0.00 -0.26 0.00 0.00 60.65 59.28 3llj s ILE 55 Cb -0.16 -1.00 -0.08 0.00 1.25 0.00 0.00 42.46 42.48 3llj s ILE 55 CO -0.00 0.17 1.08 -2.16 0.24 0.00 0.00 174.94 174.27 3llj s PRO 56 N -0.74 3.71 0.25 0.37 0.04 -1.26 -1.37 135.00 136.00 3llj s PRO 56 Ca 0.04 1.51 0.03 0.00 0.04 0.00 0.00 61.00 62.61 3llj s PRO 56 Cb -0.07 -2.17 0.29 0.00 0.04 0.00 0.00 34.50 32.60 3llj s PRO 56 CO 0.00 -0.53 1.61 0.87 0.04 0.00 0.00 177.00 178.99 3llj h LYS 57 N 1.64 0.37 -6.72 4.56 1.57 -1.47 -3.43 116.57 113.08 3llj h LYS 57 Ca -0.49 -0.21 -0.53 0.00 -1.87 0.00 0.00 60.65 57.55 3llj h LYS 57 Cb 1.24 0.01 0.05 0.00 0.08 0.00 0.00 32.23 33.61 3llj h LYS 57 CO 0.59 0.77 0.74 0.21 -0.57 0.00 0.00 179.45 181.20 3llj s LYS 58 N -4.05 4.29 -0.49 3.15 2.20 -1.26 -3.73 119.74 119.86 3llj s LYS 58 Ca -0.06 2.25 -0.29 0.00 -0.36 0.00 0.00 55.97 57.52 3llj s LYS 58 Cb 0.12 -3.13 0.02 0.00 -1.51 0.00 0.00 37.83 33.33 3llj s LYS 58 CO 0.80 -0.40 1.25 -1.58 -0.36 0.00 0.00 175.35 175.06 3llj s HIS 59 N 0.13 2.62 -0.17 4.03 5.65 -1.26 -4.94 115.29 121.35 3llj s HIS 59 Ca 0.60 0.63 0.00 0.00 0.25 0.00 0.00 55.06 56.54 3llj s HIS 59 Cb -0.41 -4.42 0.00 0.00 -1.18 0.00 0.00 32.58 26.58 3llj s HIS 59 CO 0.41 -1.58 -0.16 0.42 -0.65 0.00 0.00 174.74 173.18 3llj s ILE 60 N 4.96 2.52 0.24 0.89 1.01 -1.26 -5.04 121.20 124.51 3llj s ILE 60 Ca 0.51 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 60.35 3llj s ILE 60 Cb -0.09 -2.07 0.02 0.00 0.01 0.00 0.00 42.46 40.33 3llj s ILE 60 CO 0.31 0.51 1.63 0.77 0.00 0.00 0.00 174.94 178.16 3llj h SER 61 N 7.55 0.59 -5.12 3.58 4.64 -1.92 0.43 113.55 123.30 3llj h SER 61 Ca -0.37 -0.24 0.13 0.00 -0.47 0.00 0.00 61.79 60.85 3llj h SER 61 Cb 1.17 -0.16 -0.09 0.00 -0.31 0.00 0.00 62.40 63.01 3llj h SER 61 CO 0.59 0.89 0.42 0.00 -0.87 0.00 0.00 176.83 177.86 3llj s GLN 62 N -4.35 1.23 0.16 4.77 -2.07 -1.26 -2.22 119.66 115.92 3llj s GLN 62 Ca -0.07 -0.63 -0.12 0.00 -1.82 0.00 0.00 55.36 52.71 3llj s GLN 62 Cb 0.13 0.45 0.05 0.00 -1.09 0.00 0.00 33.01 32.55 3llj s GLN 62 CO 0.82 -0.56 1.67 0.82 -1.32 0.00 0.00 175.29 176.72 3llj h ILE 63 N 2.00 1.25 0.00 3.63 1.08 -1.91 0.50 117.51 124.06 3llj h ILE 63 Ca -0.24 -0.89 0.00 0.00 -0.39 0.00 0.00 64.86 63.34 3llj h ILE 63 Cb 1.24 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 35.74 3llj h ILE 63 CO 0.27 0.33 0.03 -1.54 -0.69 0.00 0.00 178.15 176.55 3llj n SER 64 N -4.39 0.39 -0.63 1.72 3.41 -1.26 -0.12 113.62 112.74 3llj n SER 64 Ca 0.02 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 3llj n SER 64 Cb 0.24 -0.71 0.09 0.00 -0.26 0.00 0.00 64.21 63.57 3llj n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3llj n ALA 65 N -1.68 3.10 -1.77 7.33 0.00 0.16 -4.96 120.51 122.70 3llj n ALA 65 Ca -0.01 -0.63 -0.36 0.00 0.00 0.00 0.00 53.44 52.44 3llj n ALA 65 Cb 0.06 -0.85 0.01 0.00 0.00 0.00 0.00 19.45 18.67 3llj n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3llj s ALA 66 N -2.29 2.78 0.40 0.00 0.00 0.83 -4.92 121.76 118.55 3llj s ALA 66 Ca 0.23 0.96 0.08 0.00 0.00 0.00 0.00 51.96 53.22 3llj s ALA 66 Cb 0.19 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 3llj s ALA 66 CO 0.46 -0.87 0.28 -1.83 0.00 0.00 0.00 175.76 173.80 3llj s GLU 67 N -3.03 2.42 0.30 0.00 -1.05 -1.26 -5.00 118.70 111.07 3llj s GLU 67 Ca 0.70 -1.63 0.03 0.00 -0.15 0.00 0.00 54.97 53.92 3llj s GLU 67 Cb -0.29 -2.22 0.60 0.00 -0.44 0.00 0.00 34.13 31.78 3llj s GLU 67 CO 0.33 -0.11 1.85 -0.44 0.95 0.00 0.00 175.26 177.84 3llj h ASP 68 N 1.24 0.88 0.45 0.83 3.32 -2.01 0.93 116.42 122.06 3llj h ASP 68 Ca -0.42 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.67 3llj h ASP 68 Cb 1.26 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3llj h ASP 68 CO 0.62 0.47 0.00 0.00 -1.72 0.00 0.00 179.24 178.62 3llj n ALA 69 N -2.37 1.49 1.76 3.45 0.00 -1.26 -1.99 120.51 121.59 3llj n ALA 69 Ca 0.18 0.04 0.15 0.00 0.00 0.00 0.00 53.44 53.82 3llj n ALA 69 Cb 0.36 -1.27 0.78 0.00 0.00 0.00 0.00 19.45 19.32 3llj n ALA 69 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3llj n ASP 70 N -1.88 0.50 0.14 0.00 8.00 0.32 -4.48 116.55 119.15 3llj n ASP 70 Ca 0.02 -1.06 -0.13 0.00 0.71 0.00 0.00 54.79 54.32 3llj n ASP 70 Cb 0.15 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 3llj n ASP 70 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3llj h GLU 71 N 0.76 -0.50 -0.39 -1.24 5.08 -1.51 -0.59 114.58 116.19 3llj h GLU 71 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3llj h GLU 71 Cb 0.20 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3llj h GLU 71 CO 0.00 -0.33 0.25 0.66 -1.00 0.00 0.00 179.01 178.58 3llj h SER 72 N -0.52 0.46 -0.44 1.42 4.64 -1.85 -1.14 113.55 116.12 3llj h SER 72 Ca 0.02 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3llj h SER 72 Cb 0.52 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 3llj h SER 72 CO -0.12 0.34 0.14 0.25 -0.87 0.00 0.00 176.83 176.58 3llj h LEU 73 N 0.53 0.63 -0.52 5.97 5.85 -1.71 0.13 115.31 126.20 3llj h LEU 73 Ca 0.14 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 3llj h LEU 73 Cb -0.04 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3llj h LEU 73 CO -0.03 0.66 0.24 -0.07 -0.34 0.00 0.00 178.44 178.90 3llj h LEU 74 N 0.57 0.69 -1.24 2.25 3.38 -0.75 -1.92 115.31 118.29 3llj h LEU 74 Ca 0.14 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3llj h LEU 74 Cb 0.25 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3llj h LEU 74 CO -0.01 0.64 -0.04 1.23 0.09 0.00 0.00 178.44 180.35 3llj h GLY 75 N 0.69 0.51 1.22 0.83 0.00 -1.08 -2.36 103.07 102.87 3llj h GLY 75 Ca 0.18 -0.31 0.01 0.00 0.00 0.00 0.00 47.33 47.21 3llj h GLY 75 CO -0.02 0.29 0.53 0.84 0.00 0.00 0.00 176.54 178.18 3llj h HIS 76 N 0.45 1.01 -0.57 5.60 -0.00 -0.17 -0.43 115.15 121.03 3llj h HIS 76 Ca 0.10 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.52 3llj h HIS 76 Cb 0.36 -0.34 -0.04 0.00 -0.00 0.00 0.00 27.41 27.39 3llj h HIS 76 CO 0.01 0.63 0.35 -0.07 -0.00 0.00 0.00 177.93 178.85 3llj h LEU 77 N 1.08 0.56 -0.69 0.26 3.38 -0.81 -0.28 115.31 118.80 3llj h LEU 77 Ca 0.29 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.15 3llj h LEU 77 Cb -0.12 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3llj h LEU 77 CO -0.06 0.39 -0.30 0.24 0.09 0.00 0.00 178.44 178.79 3llj h MET 78 N 0.68 0.68 -0.54 1.13 2.86 -1.33 -0.18 114.93 118.23 3llj h MET 78 Ca 0.23 -0.30 -0.10 0.00 -2.06 0.00 0.00 59.70 57.47 3llj h MET 78 Cb 0.03 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3llj h MET 78 CO -0.10 0.90 -0.06 0.82 1.06 0.00 0.00 176.91 179.52 3llj h ILE 79 N 0.58 1.26 -0.49 -1.22 1.08 -0.71 0.10 117.51 118.11 3llj h ILE 79 Ca 0.07 -1.18 -0.02 0.00 -0.39 0.00 0.00 64.86 63.33 3llj h ILE 79 Cb 0.81 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 35.44 3llj h ILE 79 CO 0.07 0.42 0.22 0.58 -0.69 0.00 0.00 178.15 178.74 3llj h VAL 80 N 0.88 1.20 -0.86 1.67 2.07 -0.99 -1.16 116.25 119.06 3llj h VAL 80 Ca 0.15 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 67.08 3llj h VAL 80 Cb 0.59 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3llj h VAL 80 CO 0.04 0.23 0.57 1.23 0.02 0.00 0.00 177.57 179.65 3llj h GLY 81 N 0.65 1.21 0.85 2.17 0.00 -0.59 0.22 103.07 107.58 3llj h GLY 81 Ca 0.17 -0.44 0.02 0.00 0.00 0.00 0.00 47.33 47.08 3llj h GLY 81 CO -0.02 0.43 0.23 1.70 0.00 0.00 0.00 176.54 178.88 3llj h LYS 82 N 1.15 0.45 -0.39 4.80 3.64 -0.43 -0.23 116.57 125.55 3llj h LYS 82 Ca 0.32 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 3llj h LYS 82 Cb -0.11 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 3llj h LYS 82 CO -0.08 0.30 0.17 0.87 -2.27 0.00 0.00 179.45 178.44 3llj h LYS 83 N 0.46 0.58 -0.53 1.90 1.57 -0.68 -1.91 116.57 117.97 3llj h LYS 83 Ca 0.17 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3llj h LYS 83 Cb 0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3llj h LYS 83 CO -0.10 0.54 0.17 0.00 -0.57 0.00 0.00 179.45 179.49 3llj h ALA 85 N 1.03 1.09 -0.45 0.00 0.00 -0.85 -0.69 119.26 119.39 3llj h ALA 85 Ca 0.17 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3llj h ALA 85 Cb 0.26 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3llj h ALA 85 CO -0.01 0.42 0.06 0.00 0.00 0.00 0.00 179.25 179.72 3llj h ALA 86 N 1.33 0.60 -0.55 0.00 0.00 -1.09 -1.54 119.26 118.00 3llj h ALA 86 Ca 0.32 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3llj h ALA 86 Cb -0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3llj h ALA 86 CO -0.09 0.34 0.36 -0.44 0.00 0.00 0.00 179.25 179.42 3llj h ASP 87 N 0.61 0.55 -0.20 0.00 3.32 -0.62 -1.72 116.42 118.36 3llj h ASP 87 Ca 0.13 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3llj h ASP 87 Cb 0.41 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3llj h ASP 87 CO 0.01 0.38 0.00 0.18 -1.72 0.00 0.00 179.24 178.09 3llj n LEU 88 N -4.47 1.58 0.00 1.55 4.77 -0.32 -4.96 117.00 115.16 3llj n LEU 88 Ca 0.06 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 3llj n LEU 88 Cb 0.13 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3llj n LEU 88 CO 0.35 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3llj n GLY 89 N 1.07 0.41 2.43 -0.72 0.00 -0.65 -4.95 105.19 102.79 3llj n GLY 89 Ca 0.14 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 3llj n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3llj n LEU 90 N 0.00 8.27 0.24 0.99 4.77 -0.63 -4.65 117.00 125.99 3llj n LEU 90 Ca 0.00 -4.39 0.10 0.00 -0.03 0.00 0.00 56.01 51.69 3llj n LEU 90 Cb 0.08 -1.55 0.60 0.00 -2.33 0.00 0.00 43.42 40.22 3llj n LEU 90 CO 0.00 1.87 0.90 0.11 -1.33 0.00 0.00 177.39 178.94 3llj h LYS 91 N 5.17 0.00 -0.02 3.23 1.57 -1.92 -2.36 116.57 122.24 3llj h LYS 91 Ca 0.78 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.56 3llj h LYS 91 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3llj h LYS 91 CO 1.77 0.19 -0.13 1.63 -0.57 0.00 0.00 179.45 182.34 3llj n LYS 92 N -3.73 1.61 0.00 3.15 5.02 -1.26 -5.05 118.16 117.89 3llj n LYS 92 Ca -0.02 -1.15 0.00 0.00 -2.02 0.00 0.00 58.31 55.13 3llj n LYS 92 Cb 0.30 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 3llj n LYS 92 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3llj n GLY 93 N 1.30 -0.43 0.19 0.72 0.00 -0.89 -5.08 105.19 101.00 3llj n GLY 93 Ca 0.15 -2.25 -0.00 0.00 0.00 0.00 0.00 46.02 43.91 3llj n GLY 93 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3llj n TYR 94 N -0.26 -1.01 -3.82 1.61 0.18 -1.26 -4.41 117.16 108.19 3llj n TYR 94 Ca 0.00 -0.09 -0.13 0.00 1.88 0.00 0.00 57.90 59.56 3llj n TYR 94 Cb 0.00 0.04 -0.15 0.00 -0.38 0.00 0.00 39.34 38.86 3llj n TYR 94 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 3llj s ARG 95 N -2.00 0.00 -0.14 -3.48 3.52 0.14 -4.97 118.95 112.02 3llj s ARG 95 Ca 0.01 0.10 -0.03 0.00 -0.13 0.00 0.00 55.73 55.69 3llj s ARG 95 Cb -0.00 -0.10 -0.02 0.00 -1.56 0.00 0.00 34.95 33.27 3llj s ARG 95 CO 0.01 -0.07 -0.06 -1.64 -0.81 0.00 0.00 175.30 172.72 3llj s MET 96 N 0.47 3.53 -0.02 5.12 -1.94 -1.26 -0.77 119.30 124.43 3llj s MET 96 Ca -0.04 -0.55 0.02 0.00 -1.71 0.00 0.00 55.69 53.40 3llj s MET 96 Cb -0.05 -2.83 0.01 0.00 2.01 0.00 0.00 34.83 33.97 3llj s MET 96 CO -0.01 0.28 -0.05 0.08 -0.01 0.00 0.00 175.02 175.30 3llj s VAL 97 N 0.25 0.51 -0.12 -6.03 1.01 -0.11 -4.97 120.40 110.93 3llj s VAL 97 Ca -0.04 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.75 3llj s VAL 97 Cb -0.14 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.78 3llj s VAL 97 CO 0.03 0.18 -0.16 -0.69 0.00 0.00 0.00 175.10 174.46 3llj s VAL 98 N 0.30 1.60 -0.15 2.92 1.01 -1.26 -0.67 120.40 124.15 3llj s VAL 98 Ca -0.04 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 3llj s VAL 98 Cb -0.08 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 3llj s VAL 98 CO -0.00 0.46 0.20 0.20 0.00 0.00 0.00 175.10 175.96 3llj s ASN 99 N 1.03 6.37 -0.16 3.32 0.01 -1.26 -5.08 114.94 119.16 3llj s ASN 99 Ca -0.05 0.43 0.01 0.00 -0.71 0.00 0.00 52.86 52.53 3llj s ASN 99 Cb -0.15 -2.13 0.01 0.00 0.41 0.00 0.00 41.25 39.39 3llj s ASN 99 CO -0.03 0.22 -0.18 -0.70 -1.51 0.00 0.00 177.10 174.90 3llj s GLU 100 N -0.04 3.10 2.14 -0.60 2.56 -1.26 -4.60 118.70 120.00 3llj s GLU 100 Ca 0.13 -0.79 0.00 0.00 0.00 0.00 0.00 54.97 54.31 3llj s GLU 100 Cb -0.12 -2.59 0.00 0.00 2.00 0.00 0.00 34.13 33.42 3llj s GLU 100 CO 0.02 -0.09 0.00 0.41 -0.56 0.00 0.00 175.26 175.05 3llj n GLY 101 N 4.31 -0.60 0.16 -1.50 0.00 -1.26 -2.01 105.19 104.29 3llj n GLY 101 Ca -0.20 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 3llj n GLY 101 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3llj h SER 102 N 0.00 0.48 0.33 1.61 0.02 -1.96 -0.84 113.55 113.19 3llj h SER 102 Ca 0.00 -0.37 -0.07 0.00 -0.84 0.00 0.00 61.79 60.51 3llj h SER 102 Cb 0.00 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3llj h SER 102 CO 0.00 0.74 -0.33 0.44 -1.14 0.00 0.00 176.83 176.55 3llj h ASP 103 N 0.22 0.00 1.04 3.07 3.32 -1.96 -2.45 116.42 119.66 3llj h ASP 103 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3llj h ASP 103 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3llj h ASP 103 CO 0.03 0.33 0.00 0.61 -1.72 0.00 0.00 179.24 178.48 3llj n GLY 104 N -0.59 -1.45 1.78 2.75 0.00 -0.85 -4.92 105.19 101.91 3llj n GLY 104 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3llj n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3llj n GLY 105 N 0.76 0.49 3.69 -0.02 0.00 -0.88 -4.46 105.19 104.77 3llj n GLY 105 Ca 0.04 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 3llj n GLY 105 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3llj s GLN 106 N -2.56 4.42 0.00 1.61 0.74 -0.37 -4.90 119.66 118.59 3llj s GLN 106 Ca 0.00 1.52 0.00 0.00 0.05 0.00 0.00 55.36 56.93 3llj s GLN 106 Cb 0.00 -3.52 0.00 0.00 1.10 0.00 0.00 33.01 30.59 3llj s GLN 106 CO 0.00 -0.32 0.16 0.43 -0.55 0.00 0.00 175.29 175.01 3llj n SER 107 N 4.85 0.33 -3.93 6.67 7.64 -1.26 -4.58 113.62 123.33 3llj n SER 107 Ca 0.09 -0.66 -0.26 0.00 1.01 0.00 0.00 58.87 59.05 3llj n SER 107 Cb 0.48 0.65 -0.17 0.00 -1.01 0.00 0.00 64.21 64.16 3llj n SER 107 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3llj s VAL 108 N -0.65 1.01 -1.27 0.44 1.01 -1.26 -5.05 120.40 114.62 3llj s VAL 108 Ca 0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 3llj s VAL 108 Cb 0.00 -1.00 0.16 0.00 0.00 0.00 0.00 36.38 35.54 3llj s VAL 108 CO 0.00 0.35 2.14 -1.22 0.00 0.00 0.00 175.10 176.37 3llj n TYR 109 N 4.65 2.67 -3.70 5.22 4.02 -1.26 -4.70 117.16 124.05 3llj n TYR 109 Ca -0.15 -2.77 -0.13 0.00 -0.01 0.00 0.00 57.90 54.83 3llj n TYR 109 Cb 0.50 -1.77 -0.14 0.00 -0.02 0.00 0.00 39.34 37.92 3llj n TYR 109 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3llj s HIS 110 N -1.13 -0.31 0.32 -0.72 2.46 -0.94 -4.32 115.29 110.65 3llj s HIS 110 Ca 0.47 0.76 -0.29 0.00 0.47 0.00 0.00 55.06 56.47 3llj s HIS 110 Cb 0.15 -0.04 -0.12 0.00 -0.13 0.00 0.00 32.58 32.44 3llj s HIS 110 CO -0.06 -0.26 1.41 1.33 -2.47 0.00 0.00 174.74 174.70 3llj n VAL 111 N 4.68 1.65 -3.77 0.89 0.24 0.14 -4.89 118.33 117.27 3llj n VAL 111 Ca -0.17 -0.41 -0.13 0.00 -2.04 0.00 0.00 64.34 61.59 3llj n VAL 111 Cb 0.51 -1.72 -0.12 0.00 -1.47 0.00 0.00 33.84 31.04 3llj n VAL 111 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 3llj s HIS 112 N -0.73 -0.29 -0.28 6.34 -3.43 -1.26 -4.21 115.29 111.43 3llj s HIS 112 Ca 0.59 0.71 -0.11 0.00 -0.80 0.00 0.00 55.06 55.44 3llj s HIS 112 Cb -0.55 0.08 -0.05 0.00 -1.43 0.00 0.00 32.58 30.63 3llj s HIS 112 CO 0.58 -0.17 0.20 -1.17 -2.00 0.00 0.00 174.74 172.19 3llj s LEU 113 N 0.54 4.02 0.17 5.38 2.96 -0.07 -4.52 118.68 127.16 3llj s LEU 113 Ca -0.03 0.01 -0.26 0.00 -0.22 0.00 0.00 54.13 53.62 3llj s LEU 113 Cb -0.05 -2.14 -0.08 0.00 0.50 0.00 0.00 46.19 44.42 3llj s LEU 113 CO -0.03 -0.06 0.81 -1.00 -1.32 0.00 0.00 176.35 174.75 3llj s HIS 114 N 1.78 3.91 -0.13 5.38 3.76 0.16 -0.67 115.29 129.48 3llj s HIS 114 Ca 0.08 1.68 -0.00 0.00 -0.15 0.00 0.00 55.06 56.66 3llj s HIS 114 Cb -0.16 -2.81 0.02 0.00 1.11 0.00 0.00 32.58 30.74 3llj s HIS 114 CO 0.11 0.49 -0.11 0.08 -0.85 0.00 0.00 174.74 174.46 3llj s VAL 115 N -1.06 1.29 -0.05 -0.90 1.01 0.07 -0.94 120.40 119.82 3llj s VAL 115 Ca 0.37 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.95 3llj s VAL 115 Cb -0.23 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 3llj s VAL 115 CO 0.27 0.41 -0.21 -0.76 0.00 0.00 0.00 175.10 174.81 3llj s LEU 116 N 1.60 1.99 0.00 3.92 1.02 0.05 -1.48 118.68 125.78 3llj s LEU 116 Ca 0.05 -0.43 -0.01 0.00 0.02 0.00 0.00 54.13 53.75 3llj s LEU 116 Cb -0.13 -1.17 0.01 0.00 0.02 0.00 0.00 46.19 44.92 3llj s LEU 116 CO -0.09 0.20 0.07 0.61 0.02 0.00 0.00 176.35 177.16 3llj n GLY 117 N 3.03 1.47 1.67 -3.19 0.00 -0.19 -0.68 105.19 107.29 3llj n GLY 117 Ca -0.18 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3llj n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3llj n GLY 118 N -0.05 0.73 3.51 -0.02 0.00 -1.26 -1.52 105.19 106.57 3llj n GLY 118 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3llj n GLY 118 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3llj s ARG 119 N -0.30 1.37 0.10 1.61 1.70 -1.26 -4.64 118.95 117.53 3llj s ARG 119 Ca 0.00 -0.97 -0.31 0.00 -0.47 0.00 0.00 55.73 53.98 3llj s ARG 119 Cb 0.00 0.49 -0.09 0.00 -0.57 0.00 0.00 34.95 34.79 3llj s ARG 119 CO 0.00 -0.57 1.60 -1.14 -1.08 0.00 0.00 175.30 174.11 3llj s GLN 120 N -3.91 4.21 0.10 3.89 2.00 -1.26 -4.98 119.66 119.71 3llj s GLN 120 Ca 0.12 2.31 -0.22 0.00 -2.00 0.00 0.00 55.36 55.58 3llj s GLN 120 Cb -0.00 -3.43 -0.07 0.00 0.80 0.00 0.00 33.01 30.31 3llj s GLN 120 CO -0.01 -0.67 0.65 -1.64 -0.50 0.00 0.00 175.29 173.12 3llj s MET 121 N 2.04 4.35 0.68 1.67 -1.94 -1.26 -5.08 119.30 119.76 3llj s MET 121 Ca 0.72 0.89 0.04 0.00 -1.71 0.00 0.00 55.69 55.63 3llj s MET 121 Cb -0.41 -3.26 0.13 0.00 2.01 0.00 0.00 34.83 33.30 3llj s MET 121 CO 0.32 0.58 0.94 0.09 -0.01 0.00 0.00 175.02 176.93 3llj n ASN 122 N 1.82 1.68 -3.81 3.03 3.02 -1.26 -5.13 115.26 114.61 3llj n ASN 122 Ca -0.08 -2.32 -0.13 0.00 -0.03 0.00 0.00 54.58 52.01 3llj n ASN 122 Cb 0.50 -0.57 -0.15 0.00 -0.61 0.00 0.00 39.78 38.95 3llj n ASN 122 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3llj s TRP 123 N -2.96 -0.04 0.89 3.10 -0.11 -1.26 -4.32 118.94 114.23 3llj s TRP 123 Ca 0.65 0.19 -0.12 0.00 1.22 0.00 0.00 56.10 58.05 3llj s TRP 123 Cb -0.04 -0.09 0.13 0.00 -1.50 0.00 0.00 33.47 31.96 3llj s TRP 123 CO 0.43 -0.07 1.10 -1.25 -4.62 0.00 0.00 176.95 172.53 3llj s PRO 124 N 0.60 1.31 -1.37 5.86 0.04 -1.26 -5.04 135.00 135.14 3llj s PRO 124 Ca -0.05 0.63 -0.09 0.00 0.04 0.00 0.00 61.00 61.53 3llj s PRO 124 Cb -0.07 -1.83 0.10 0.00 0.04 0.00 0.00 34.50 32.74 3llj s PRO 124 CO -0.02 -2.16 2.25 -0.35 0.04 0.00 0.00 177.00 176.76 3llj n PRO 125 N -3.80 3.85 -0.96 0.56 -0.04 -1.26 -5.21 135.00 128.13 3llj n PRO 125 Ca 0.07 -3.19 0.00 0.00 -0.04 0.00 0.00 63.50 60.34 3llj n PRO 125 Cb 0.56 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 3llj n PRO 125 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87