#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kpe n GLY 15 N 0.00 2.00 2.82 -0.02 0.00 -1.26 -4.12 105.19 104.61 1kpe n GLY 15 Ca 0.00 -2.13 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 1kpe n GLY 15 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kpe n ASP 16 N 0.00 7.10 -3.97 1.61 5.68 -1.26 -4.44 116.55 121.26 1kpe n ASP 16 Ca 0.00 -3.82 -0.19 0.00 -0.50 0.00 0.00 54.79 50.28 1kpe n ASP 16 Cb 0.00 -0.97 -0.09 0.00 -1.14 0.00 0.00 41.12 38.92 1kpe n ASP 16 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1kpe s THR 17 N -5.13 0.33 0.47 2.12 -4.23 -1.26 -5.00 115.64 102.93 1kpe s THR 17 Ca 0.52 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.26 1kpe s THR 17 Cb 0.44 -2.51 0.27 0.00 1.34 0.00 0.00 72.50 72.04 1kpe s THR 17 CO -0.36 0.00 2.10 -0.29 -0.54 0.00 0.00 174.62 175.52 1kpe h ILE 18 N 2.20 0.75 -0.02 2.99 2.10 -1.99 -1.42 117.51 122.12 1kpe h ILE 18 Ca -0.33 -0.41 -0.12 0.00 1.08 0.00 0.00 64.86 65.08 1kpe h ILE 18 Cb 1.25 1.24 -0.02 0.00 -1.09 0.00 0.00 36.82 38.21 1kpe h ILE 18 CO 0.52 0.10 -0.57 -0.26 -1.08 0.00 0.00 178.15 176.86 1kpe h PHE 19 N 0.00 0.06 -0.37 2.19 -1.00 -1.95 -2.43 116.94 113.45 1kpe h PHE 19 Ca -0.00 -0.02 -0.14 0.00 2.81 0.00 0.00 57.97 60.62 1kpe h PHE 19 Cb 0.23 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 1kpe h PHE 19 CO 0.00 0.61 -0.31 0.78 -1.61 0.00 0.00 178.31 177.78 1kpe h GLY 20 N 1.65 0.93 1.56 -1.45 0.00 -1.48 -2.25 103.07 102.03 1kpe h GLY 20 Ca -0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 47.33 46.39 1kpe h GLY 20 CO 0.08 0.83 0.19 0.50 0.00 0.00 0.00 176.54 178.14 1kpe h LYS 21 N 0.65 0.58 -0.24 4.80 1.57 -1.27 -0.89 116.57 121.77 1kpe h LYS 21 Ca 0.07 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1kpe h LYS 21 Cb 0.89 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 1kpe h LYS 21 CO 0.08 0.46 -0.33 0.82 -0.57 0.00 0.00 179.45 179.91 1kpe h ILE 22 N 0.58 1.31 -0.40 1.86 2.04 -1.30 0.14 117.51 121.75 1kpe h ILE 22 Ca 0.15 -1.52 -0.06 0.00 1.00 0.00 0.00 64.86 64.42 1kpe h ILE 22 Cb 0.08 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1kpe h ILE 22 CO -0.02 0.48 -0.01 0.40 0.00 0.00 0.00 178.15 179.00 1kpe h ILE 23 N 0.36 1.22 -0.03 -0.67 2.04 -0.95 -1.48 117.51 118.00 1kpe h ILE 23 Ca 0.03 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1kpe h ILE 23 Cb 0.91 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1kpe h ILE 23 CO 0.08 0.32 0.00 0.54 0.00 0.00 0.00 178.15 179.08 1kpe n ARG 24 N -4.24 1.19 -1.91 2.37 1.74 -0.38 -4.87 116.66 110.57 1kpe n ARG 24 Ca 0.02 -0.29 -0.20 0.00 -0.77 0.00 0.00 57.85 56.61 1kpe n ARG 24 Cb 0.28 -1.37 -0.06 0.00 -1.02 0.00 0.00 32.46 30.29 1kpe n ARG 24 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1kpe n LYS 25 N -0.55 -1.55 0.15 5.56 4.76 -0.56 -4.85 118.16 121.13 1kpe n LYS 25 Ca 0.17 1.13 0.03 0.00 -2.87 0.00 0.00 58.31 56.76 1kpe n LYS 25 Cb 0.15 -5.62 0.16 0.00 -1.84 0.00 0.00 35.03 27.88 1kpe n LYS 25 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1kpe h GLU 26 N 0.00 0.00 -4.62 1.97 5.08 -0.95 -3.44 114.58 112.62 1kpe h GLU 26 Ca -0.45 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.64 1kpe h GLU 26 Cb 1.35 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.39 1kpe h GLU 26 CO 0.60 0.50 -0.73 0.96 -1.00 0.00 0.00 179.01 179.34 1kpe s ILE 27 N -3.25 0.60 0.63 3.13 -4.36 -1.10 -5.01 121.20 111.83 1kpe s ILE 27 Ca 0.02 -1.23 -0.14 0.00 -0.26 0.00 0.00 60.65 59.04 1kpe s ILE 27 Cb 0.10 -0.81 -0.02 0.00 1.25 0.00 0.00 42.46 42.98 1kpe s ILE 27 CO 0.73 -0.46 1.05 -2.16 0.24 0.00 0.00 174.94 174.34 1kpe s PRO 28 N -1.96 3.19 0.14 0.37 0.04 -1.26 -4.51 135.00 131.00 1kpe s PRO 28 Ca -0.06 1.08 -0.20 0.00 0.04 0.00 0.00 61.00 61.86 1kpe s PRO 28 Cb -0.07 -2.02 0.06 0.00 0.04 0.00 0.00 34.50 32.50 1kpe s PRO 28 CO -0.00 -0.91 0.52 0.00 0.04 0.00 0.00 177.00 176.65 1kpe s ALA 29 N -2.73 -1.32 -1.17 8.56 0.00 -1.26 -5.00 121.76 118.84 1kpe s ALA 29 Ca 0.61 0.28 -0.15 0.00 0.00 0.00 0.00 51.96 52.69 1kpe s ALA 29 Cb -0.15 0.79 0.15 0.00 0.00 0.00 0.00 23.12 23.92 1kpe s ALA 29 CO 0.45 -0.71 1.41 0.15 0.00 0.00 0.00 175.76 177.05 1kpe s LYS 30 N -3.72 3.99 0.01 0.00 1.02 -1.26 -5.00 119.74 114.79 1kpe s LYS 30 Ca 0.02 -2.38 -0.30 0.00 0.02 0.00 0.00 55.97 53.32 1kpe s LYS 30 Cb 0.00 -5.08 -0.06 0.00 -0.52 0.00 0.00 37.83 32.17 1kpe s LYS 30 CO -0.12 -1.81 1.52 0.42 -0.92 0.00 0.00 175.35 174.44 1kpe s ILE 31 N 2.01 3.47 -0.19 2.17 1.01 -1.26 -1.30 121.20 127.10 1kpe s ILE 31 Ca 0.42 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.91 1kpe s ILE 31 Cb -0.03 -3.54 -0.21 0.00 0.01 0.00 0.00 42.46 38.69 1kpe s ILE 31 CO -0.01 -0.01 0.06 -0.38 0.00 0.00 0.00 174.94 174.59 1kpe n ILE 32 N 4.81 1.60 -3.51 2.92 5.41 0.12 -4.96 119.36 125.75 1kpe n ILE 32 Ca 0.15 -0.63 -0.17 0.00 1.00 0.00 0.00 62.75 63.10 1kpe n ILE 32 Cb 0.42 -1.47 -0.05 0.00 -0.71 0.00 0.00 39.64 37.83 1kpe n ILE 32 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1kpe s PHE 33 N -2.54 -0.62 -0.06 1.39 5.36 -1.04 -4.98 117.98 115.49 1kpe s PHE 33 Ca -0.27 0.97 -0.17 0.00 -0.96 0.00 0.00 56.93 56.50 1kpe s PHE 33 Cb 0.08 0.44 0.03 0.00 -0.34 0.00 0.00 43.02 43.23 1kpe s PHE 33 CO 0.69 -0.63 0.39 -2.00 -1.46 0.00 0.00 175.22 172.21 1kpe s GLU 34 N -1.57 0.66 0.00 10.12 2.12 -1.26 -0.23 118.70 128.53 1kpe s GLU 34 Ca -0.09 0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.36 1kpe s GLU 34 Cb -0.00 0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.69 1kpe s GLU 34 CO 0.06 -0.16 0.00 -0.40 -0.54 0.00 0.00 175.26 174.22 1kpe n ASP 35 N 1.73 0.00 0.02 -1.70 5.68 -0.73 -5.01 116.55 116.55 1kpe n ASP 35 Ca -0.19 -0.24 0.12 0.00 -0.50 0.00 0.00 54.79 53.98 1kpe n ASP 35 Cb 0.56 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 41.04 1kpe n ASP 35 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1kpe n ASP 36 N -0.62 0.14 0.00 -1.12 5.75 -1.26 -4.13 116.55 115.30 1kpe n ASP 36 Ca 0.00 0.52 0.00 0.00 -0.01 0.00 0.00 54.79 55.30 1kpe n ASP 36 Cb 0.00 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.54 1kpe n ASP 36 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1kpe n ARG 37 N -1.64 2.07 -3.86 0.11 1.85 -1.26 -4.94 116.66 108.98 1kpe n ARG 37 Ca 0.05 -0.10 -0.09 0.00 -1.00 0.00 0.00 57.85 56.71 1kpe n ARG 37 Cb 0.29 -0.45 -0.05 0.00 -1.05 0.00 0.00 32.46 31.20 1kpe n ARG 37 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1kpe s LEU 39 N -2.93 1.26 -0.11 0.00 2.96 -0.13 -1.77 118.68 117.95 1kpe s LEU 39 Ca 0.14 0.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 1kpe s LEU 39 Cb 0.00 -0.09 -0.01 0.00 0.50 0.00 0.00 46.19 46.59 1kpe s LEU 39 CO 0.01 -0.10 -0.15 0.00 -1.32 0.00 0.00 176.35 174.78 1kpe s ALA 40 N 0.86 2.55 0.06 5.97 0.00 0.68 -1.03 121.76 130.83 1kpe s ALA 40 Ca -0.07 -0.92 -0.15 0.00 0.00 0.00 0.00 51.96 50.82 1kpe s ALA 40 Cb -0.11 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 21.94 1kpe s ALA 40 CO -0.02 0.31 0.34 -0.59 0.00 0.00 0.00 175.76 175.79 1kpe s PHE 41 N 0.17 -0.15 0.38 0.00 -0.71 -0.44 0.11 117.98 117.35 1kpe s PHE 41 Ca -0.09 -0.00 -0.27 0.00 -1.04 0.00 0.00 56.93 55.54 1kpe s PHE 41 Cb -0.15 0.14 -0.09 0.00 -1.21 0.00 0.00 43.02 41.71 1kpe s PHE 41 CO 0.05 -0.55 1.27 -1.01 -1.34 0.00 0.00 175.22 173.64 1kpe s HIS 42 N -2.75 2.96 0.07 3.49 3.76 -0.42 -0.46 115.29 121.93 1kpe s HIS 42 Ca -0.04 1.45 -0.31 0.00 -0.15 0.00 0.00 55.06 56.02 1kpe s HIS 42 Cb -0.00 -3.60 -0.06 0.00 1.11 0.00 0.00 32.58 30.03 1kpe s HIS 42 CO -0.05 -1.81 1.26 0.34 -0.85 0.00 0.00 174.74 173.64 1kpe s ASP 43 N -0.77 7.00 0.39 1.40 -1.08 -0.46 -4.63 116.67 118.53 1kpe s ASP 43 Ca 0.55 2.09 0.27 0.00 -0.52 0.00 0.00 52.55 54.94 1kpe s ASP 43 Cb -0.37 -2.58 1.39 0.00 -1.46 0.00 0.00 42.92 39.90 1kpe s ASP 43 CO 0.47 -0.54 1.83 -0.29 0.52 0.00 0.00 175.17 177.17 1kpe h ILE 44 N 4.49 0.00 -2.24 4.11 2.10 -1.93 -3.21 117.51 120.84 1kpe h ILE 44 Ca -0.41 -0.09 -0.59 0.00 1.08 0.00 0.00 64.86 64.85 1kpe h ILE 44 Cb 1.21 0.76 -0.41 0.00 -1.09 0.00 0.00 36.82 37.29 1kpe h ILE 44 CO 0.83 0.00 -0.81 -0.24 -1.08 0.00 0.00 178.15 176.86 1kpe n SER 45 N -2.47 2.03 -4.76 2.19 2.88 -1.26 -5.11 113.62 107.13 1kpe n SER 45 Ca -0.01 -3.06 -0.41 0.00 -1.33 0.00 0.00 58.87 54.06 1kpe n SER 45 Cb 0.10 -0.66 -0.01 0.00 -0.75 0.00 0.00 64.21 62.89 1kpe n SER 45 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1kpe s PRO 46 N -1.68 4.11 0.00 -1.46 0.04 -1.21 -4.94 135.00 129.86 1kpe s PRO 46 Ca 0.36 2.60 0.12 0.00 0.04 0.00 0.00 61.00 64.12 1kpe s PRO 46 Cb 0.13 -3.00 0.26 0.00 0.04 0.00 0.00 34.50 31.93 1kpe s PRO 46 CO -0.08 -0.62 1.16 1.04 0.04 0.00 0.00 177.00 178.53 1kpe n GLN 47 N 1.72 2.17 -3.64 4.56 1.13 -1.26 -4.97 117.38 117.09 1kpe n GLN 47 Ca 0.06 -1.83 -0.09 0.00 -1.94 0.00 0.00 57.00 53.20 1kpe n GLN 47 Cb 0.38 -1.28 -0.02 0.00 0.11 0.00 0.00 30.24 29.43 1kpe n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1kpe s ALA 48 N -1.01 -1.46 0.33 -1.58 0.00 -1.26 -5.04 121.76 111.74 1kpe s ALA 48 Ca 0.22 0.16 0.09 0.00 0.00 0.00 0.00 51.96 52.44 1kpe s ALA 48 Cb 0.12 0.81 0.84 0.00 0.00 0.00 0.00 23.12 24.90 1kpe s ALA 48 CO 0.17 -0.90 1.79 -1.35 0.00 0.00 0.00 175.76 175.47 1kpe h PRO 49 N 2.00 0.64 -4.98 0.00 0.11 -1.81 -3.32 132.00 124.63 1kpe h PRO 49 Ca -0.26 -0.04 -0.66 0.00 0.11 0.00 0.00 66.00 65.15 1kpe h PRO 49 Cb 1.27 -0.14 -0.35 0.00 0.11 0.00 0.00 31.00 31.88 1kpe h PRO 49 CO 0.30 0.42 -0.85 0.99 -0.21 0.00 0.00 178.00 178.65 1kpe s THR 50 N -5.74 2.00 -0.23 -1.15 2.01 -0.47 -5.01 115.64 107.05 1kpe s THR 50 Ca -0.10 -0.96 -0.03 0.00 0.31 0.00 0.00 61.69 60.91 1kpe s THR 50 Cb 0.25 -1.84 0.10 0.00 0.01 0.00 0.00 72.50 71.02 1kpe s THR 50 CO 0.80 0.47 0.22 -2.28 -0.69 0.00 0.00 174.62 173.14 1kpe s HIS 51 N 1.30 -0.23 0.30 4.92 5.04 -1.25 -1.28 115.29 124.09 1kpe s HIS 51 Ca 0.04 -0.01 0.04 0.00 -1.54 0.00 0.00 55.06 53.59 1kpe s HIS 51 Cb -0.14 -0.46 -0.06 0.00 0.04 0.00 0.00 32.58 31.96 1kpe s HIS 51 CO -0.12 -0.69 0.03 -0.59 -2.34 0.00 0.00 174.74 171.03 1kpe s PHE 52 N 2.30 1.87 0.06 3.88 -0.71 0.17 -1.35 117.98 124.21 1kpe s PHE 52 Ca 0.07 -0.92 0.09 0.00 -1.04 0.00 0.00 56.93 55.13 1kpe s PHE 52 Cb -0.15 -1.18 -0.03 0.00 -1.21 0.00 0.00 43.02 40.45 1kpe s PHE 52 CO -0.19 0.02 -0.24 -0.51 -1.34 0.00 0.00 175.22 172.96 1kpe s LEU 53 N -3.44 2.19 -0.15 -1.99 1.43 0.39 -0.11 118.68 117.00 1kpe s LEU 53 Ca 0.34 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1kpe s LEU 53 Cb 0.07 -1.16 0.03 0.00 0.03 0.00 0.00 46.19 45.16 1kpe s LEU 53 CO 0.14 0.21 -0.13 -0.69 0.23 0.00 0.00 176.35 176.11 1kpe s VAL 54 N -0.84 1.52 0.06 -1.59 1.01 -0.23 -1.33 120.40 118.99 1kpe s VAL 54 Ca 0.10 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.50 1kpe s VAL 54 Cb -0.10 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1kpe s VAL 54 CO 0.02 0.39 -0.21 0.27 0.00 0.00 0.00 175.10 175.58 1kpe s ILE 55 N 1.50 1.69 0.61 2.22 -4.36 -0.20 -1.24 121.20 121.42 1kpe s ILE 55 Ca 0.04 -1.32 -0.13 0.00 -0.26 0.00 0.00 60.65 58.98 1kpe s ILE 55 Cb -0.13 -1.50 -0.03 0.00 1.25 0.00 0.00 42.46 42.05 1kpe s ILE 55 CO -0.10 0.12 1.03 -2.16 0.24 0.00 0.00 174.94 174.07 1kpe s PRO 56 N -1.43 3.42 0.31 0.37 0.04 -1.26 -0.96 135.00 135.50 1kpe s PRO 56 Ca 0.07 0.95 0.20 0.00 0.04 0.00 0.00 61.00 62.27 1kpe s PRO 56 Cb -0.09 -2.06 0.15 0.00 0.04 0.00 0.00 34.50 32.54 1kpe s PRO 56 CO 0.03 -0.71 1.36 0.87 0.04 0.00 0.00 177.00 178.59 1kpe h LYS 57 N -0.01 0.00 -6.47 4.56 1.57 -1.58 -3.44 116.57 111.21 1kpe h LYS 57 Ca -0.45 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.79 1kpe h LYS 57 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1kpe h LYS 57 CO 0.59 0.14 0.59 0.21 -0.57 0.00 0.00 179.45 180.41 1kpe s LYS 58 N -3.16 4.41 -0.91 3.15 2.20 -1.26 -4.32 119.74 119.85 1kpe s LYS 58 Ca 0.04 1.78 -0.24 0.00 -0.36 0.00 0.00 55.97 57.19 1kpe s LYS 58 Cb 0.07 -3.37 0.01 0.00 -1.51 0.00 0.00 37.83 33.04 1kpe s LYS 58 CO 0.73 -0.29 1.59 -1.58 -0.36 0.00 0.00 175.35 175.44 1kpe s HIS 59 N 1.20 2.22 -0.37 4.03 5.65 -1.26 -4.93 115.29 121.83 1kpe s HIS 59 Ca 0.59 -0.18 -0.10 0.00 0.25 0.00 0.00 55.06 55.62 1kpe s HIS 59 Cb -0.29 -4.46 0.03 0.00 -1.18 0.00 0.00 32.58 26.68 1kpe s HIS 59 CO 0.29 -1.95 0.19 0.42 -0.65 0.00 0.00 174.74 173.04 1kpe s ILE 60 N 6.81 4.43 0.44 0.89 1.01 -1.26 -5.00 121.20 128.53 1kpe s ILE 60 Ca 0.52 -0.93 0.10 0.00 0.00 0.00 0.00 60.65 60.34 1kpe s ILE 60 Cb -0.04 -3.49 0.28 0.00 0.01 0.00 0.00 42.46 39.21 1kpe s ILE 60 CO -0.01 -0.24 2.07 0.77 0.00 0.00 0.00 174.94 177.53 1kpe h SER 61 N 8.40 0.35 -4.81 3.58 4.64 -1.92 0.52 113.55 124.30 1kpe h SER 61 Ca -0.25 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1kpe h SER 61 Cb 1.10 -0.08 -0.17 0.00 -0.31 0.00 0.00 62.40 62.93 1kpe h SER 61 CO 0.66 0.25 0.29 0.00 -0.87 0.00 0.00 176.83 177.16 1kpe s GLN 62 N -5.38 1.01 0.53 4.77 -2.07 -1.26 -2.36 119.66 114.90 1kpe s GLN 62 Ca -0.07 -0.03 0.22 0.00 -1.82 0.00 0.00 55.36 53.66 1kpe s GLN 62 Cb 0.18 0.47 1.35 0.00 -1.09 0.00 0.00 33.01 33.92 1kpe s GLN 62 CO 0.72 -0.37 2.04 0.97 -1.32 0.00 0.00 175.29 177.33 1kpe h ILE 63 N 2.53 0.82 0.00 3.63 6.09 -1.87 -2.22 117.51 126.49 1kpe h ILE 63 Ca -0.27 -0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.20 1kpe h ILE 63 Cb 1.20 0.81 -0.00 0.00 0.47 0.00 0.00 36.82 39.30 1kpe h ILE 63 CO 0.36 0.00 -0.08 0.77 -3.07 0.00 0.00 178.15 176.14 1kpe h SER 64 N 0.01 0.00 -0.51 2.19 4.64 -1.96 -2.27 113.55 115.64 1kpe h SER 64 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1kpe h SER 64 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1kpe h SER 64 CO -0.00 0.08 0.00 1.33 -0.87 0.00 0.00 176.83 177.37 1kpe n VAL 65 N -3.97 1.64 -2.17 0.95 0.24 -0.83 -4.99 118.33 109.19 1kpe n VAL 65 Ca -0.02 -1.25 -0.42 0.00 -2.04 0.00 0.00 64.34 60.60 1kpe n VAL 65 Cb 0.17 0.18 -0.03 0.00 -1.47 0.00 0.00 33.84 32.69 1kpe n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kpe s ALA 66 N -1.74 3.58 0.67 2.33 0.00 -0.86 -5.00 121.76 120.74 1kpe s ALA 66 Ca 0.42 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 53.39 1kpe s ALA 66 Cb 0.27 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 1kpe s ALA 66 CO 0.20 -0.60 1.05 -1.21 0.00 0.00 0.00 175.76 175.20 1kpe s GLU 67 N 0.86 3.15 0.48 0.00 2.02 -1.26 -4.95 118.70 119.00 1kpe s GLU 67 Ca 0.63 0.92 0.17 0.00 0.02 0.00 0.00 54.97 56.71 1kpe s GLU 67 Cb -0.37 -2.02 1.16 0.00 0.10 0.00 0.00 34.13 33.00 1kpe s GLU 67 CO 0.32 -0.93 2.05 -0.44 0.02 0.00 0.00 175.26 176.28 1kpe h ASP 68 N -0.51 0.00 0.70 -0.19 5.19 -2.02 -1.52 116.42 118.08 1kpe h ASP 68 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1kpe h ASP 68 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1kpe h ASP 68 CO 0.58 0.13 0.00 0.44 -3.12 0.00 0.00 179.24 177.27 1kpe h ASP 69 N 0.00 0.00 0.22 6.45 3.32 -2.03 -2.45 116.42 121.93 1kpe h ASP 69 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1kpe h ASP 69 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1kpe h ASP 69 CO 0.02 0.00 -0.07 0.47 -1.72 0.00 0.00 179.24 177.94 1kpe n ASP 70 N -3.04 0.58 -0.13 6.45 8.00 -0.57 -4.47 116.55 123.37 1kpe n ASP 70 Ca -0.00 -0.84 -0.06 0.00 0.71 0.00 0.00 54.79 54.60 1kpe n ASP 70 Cb 0.23 -0.04 0.01 0.00 -0.02 0.00 0.00 41.12 41.30 1kpe n ASP 70 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1kpe h GLU 71 N 0.80 -0.15 -0.11 -1.24 4.81 -1.55 -0.37 114.58 116.76 1kpe h GLU 71 Ca 0.00 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.11 1kpe h GLU 71 Cb 0.32 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1kpe h GLU 71 CO 0.00 -0.10 -0.52 0.66 -0.73 0.00 0.00 179.01 178.32 1kpe h SER 72 N -0.16 0.33 -0.69 1.04 4.64 -1.85 -1.12 113.55 115.74 1kpe h SER 72 Ca 0.20 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1kpe h SER 72 Cb 0.48 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.44 1kpe h SER 72 CO -0.52 0.79 0.43 0.25 -0.87 0.00 0.00 176.83 176.91 1kpe h LEU 73 N 0.24 0.81 -0.76 5.97 5.85 -1.68 0.44 115.31 126.18 1kpe h LEU 73 Ca 0.01 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1kpe h LEU 73 Cb 0.99 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1kpe h LEU 73 CO 0.08 0.62 0.04 -0.07 -0.34 0.00 0.00 178.44 178.77 1kpe h LEU 74 N 0.93 0.95 -1.26 2.25 3.38 -0.74 -0.62 115.31 120.20 1kpe h LEU 74 Ca 0.25 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1kpe h LEU 74 Cb -0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1kpe h LEU 74 CO -0.05 0.98 -0.31 1.23 0.09 0.00 0.00 178.44 180.39 1kpe h GLY 75 N 1.01 0.11 1.03 0.83 0.00 -0.38 -2.69 103.07 102.99 1kpe h GLY 75 Ca 0.17 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.37 1kpe h GLY 75 CO 0.02 0.08 0.23 0.84 0.00 0.00 0.00 176.54 177.71 1kpe h HIS 76 N 0.09 1.11 -0.84 5.60 -0.00 0.13 -1.79 115.15 119.45 1kpe h HIS 76 Ca 0.01 -0.10 0.07 0.00 -0.00 0.00 0.00 60.37 60.34 1kpe h HIS 76 Cb 0.59 -0.32 -0.06 0.00 -0.00 0.00 0.00 27.41 27.62 1kpe h HIS 76 CO 0.00 0.88 0.52 -0.07 -0.00 0.00 0.00 177.93 179.26 1kpe h LEU 77 N 1.02 0.80 -0.40 0.26 3.38 -0.95 0.27 115.31 119.69 1kpe h LEU 77 Ca 0.23 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 58.04 1kpe h LEU 77 Cb 0.28 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1kpe h LEU 77 CO -0.01 0.51 -0.55 0.24 0.09 0.00 0.00 178.44 178.72 1kpe h MET 78 N 0.93 0.74 -0.25 1.13 2.86 -1.38 0.01 114.93 118.98 1kpe h MET 78 Ca 0.37 -0.47 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 1kpe h MET 78 Cb 0.19 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1kpe h MET 78 CO -0.18 1.09 -0.01 0.82 1.06 0.00 0.00 176.91 179.69 1kpe h ILE 79 N 0.57 1.26 -0.77 -1.22 1.08 -0.89 -0.29 117.51 117.26 1kpe h ILE 79 Ca 0.01 -0.94 -0.03 0.00 -0.39 0.00 0.00 64.86 63.51 1kpe h ILE 79 Cb 1.13 1.39 -0.03 0.00 -3.07 0.00 0.00 36.82 36.23 1kpe h ILE 79 CO 0.11 0.29 0.36 0.58 -0.69 0.00 0.00 178.15 178.81 1kpe h VAL 80 N 0.21 1.25 -0.38 1.67 2.07 -0.96 -1.73 116.25 118.36 1kpe h VAL 80 Ca 0.07 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1kpe h VAL 80 Cb 0.44 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1kpe h VAL 80 CO 0.02 0.30 0.19 1.23 0.02 0.00 0.00 177.57 179.32 1kpe h GLY 81 N 1.08 0.59 1.54 2.17 0.00 -0.81 0.18 103.07 107.83 1kpe h GLY 81 Ca 0.26 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 1kpe h GLY 81 CO -0.03 0.27 0.10 1.70 0.00 0.00 0.00 176.54 178.58 1kpe h LYS 82 N 0.49 0.59 -0.05 4.80 3.64 -0.77 -0.71 116.57 124.55 1kpe h LYS 82 Ca 0.13 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 1kpe h LYS 82 Cb 0.10 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1kpe h LYS 82 CO -0.02 0.54 -0.21 0.87 -2.27 0.00 0.00 179.45 178.35 1kpe h LYS 83 N 0.57 0.22 -0.92 1.90 1.57 -0.89 -2.83 116.57 116.20 1kpe h LYS 83 Ca 0.13 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1kpe h LYS 83 Cb 0.21 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 1kpe h LYS 83 CO -0.00 0.83 0.61 0.00 -0.57 0.00 0.00 179.45 180.32 1kpe h ALA 85 N 1.43 0.92 -0.60 0.00 0.00 -1.13 -1.95 119.26 117.93 1kpe h ALA 85 Ca 0.34 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1kpe h ALA 85 Cb -0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 1kpe h ALA 85 CO -0.08 0.37 0.26 0.00 0.00 0.00 0.00 179.25 179.80 1kpe h ALA 86 N 1.24 0.78 0.00 0.00 0.00 -1.20 -1.25 119.26 118.84 1kpe h ALA 86 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1kpe h ALA 86 Cb -0.06 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1kpe h ALA 86 CO -0.05 0.37 0.00 -0.25 0.00 0.00 0.00 179.25 179.32 1kpe n ASP 87 N -4.49 0.00 -0.82 0.00 9.92 -0.98 -1.69 116.55 118.49 1kpe n ASP 87 Ca 0.04 -0.49 0.07 0.00 -0.53 0.00 0.00 54.79 53.88 1kpe n ASP 87 Cb 0.15 -0.11 0.20 0.00 -0.64 0.00 0.00 41.12 40.72 1kpe n ASP 87 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1kpe n LEU 88 N -1.11 3.30 -0.29 0.64 4.77 -0.76 -4.98 117.00 118.57 1kpe n LEU 88 Ca 0.15 -2.16 -0.04 0.00 -0.03 0.00 0.00 56.01 53.94 1kpe n LEU 88 Cb 0.12 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1kpe n LEU 88 CO 0.15 0.76 -0.04 0.61 -1.33 0.00 0.00 177.39 177.55 1kpe n GLY 89 N 0.57 0.67 2.82 -0.72 0.00 -0.68 -4.96 105.19 102.89 1kpe n GLY 89 Ca 0.15 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 1kpe n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kpe n LEU 90 N -0.43 6.70 0.01 0.99 4.77 -0.52 -4.69 117.00 123.84 1kpe n LEU 90 Ca -0.04 -4.31 0.13 0.00 -0.03 0.00 0.00 56.01 51.76 1kpe n LEU 90 Cb 0.15 -1.60 0.40 0.00 -2.33 0.00 0.00 43.42 40.04 1kpe n LEU 90 CO 0.06 1.16 0.68 -0.46 -1.33 0.00 0.00 177.39 177.50 1kpe n ASN 91 N 5.40 0.34 0.00 -1.43 0.23 -1.26 -3.81 115.26 114.73 1kpe n ASN 91 Ca 0.47 0.16 0.10 0.00 -0.53 0.00 0.00 54.58 54.79 1kpe n ASN 91 Cb 0.38 -0.14 -0.03 0.00 -2.08 0.00 0.00 39.78 37.91 1kpe n ASN 91 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1kpe n LYS 92 N -1.63 0.01 0.00 -3.83 5.02 -1.26 -5.07 118.16 111.40 1kpe n LYS 92 Ca 0.06 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1kpe n LYS 92 Cb 0.36 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1kpe n LYS 92 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kpe n GLY 93 N 1.50 2.90 3.80 0.72 0.00 -1.25 -5.09 105.19 107.77 1kpe n GLY 93 Ca 0.04 -1.88 -0.04 0.00 0.00 0.00 0.00 46.02 44.14 1kpe n GLY 93 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1kpe s TYR 94 N -1.95 -0.05 -0.05 1.61 -0.85 -1.26 -4.33 117.35 110.46 1kpe s TYR 94 Ca 0.00 -0.33 0.02 0.00 -0.52 0.00 0.00 57.07 56.24 1kpe s TYR 94 Cb 0.00 0.68 0.02 0.00 0.38 0.00 0.00 41.96 43.04 1kpe s TYR 94 CO 0.00 -0.97 -0.08 0.50 -1.52 0.00 0.00 175.55 173.47 1kpe s ARG 95 N -2.94 1.26 -0.15 -3.49 3.52 0.12 -4.94 118.95 112.32 1kpe s ARG 95 Ca 0.15 -0.26 -0.07 0.00 -0.13 0.00 0.00 55.73 55.42 1kpe s ARG 95 Cb -0.02 -1.11 -0.04 0.00 -1.56 0.00 0.00 34.95 32.21 1kpe s ARG 95 CO 0.05 -0.02 0.10 -1.64 -0.81 0.00 0.00 175.30 172.97 1kpe s MET 96 N 0.75 3.70 -0.03 5.12 -1.94 -1.26 -1.09 119.30 124.57 1kpe s MET 96 Ca -0.13 -0.25 -0.02 0.00 -1.71 0.00 0.00 55.69 53.59 1kpe s MET 96 Cb -0.15 -3.20 0.01 0.00 2.01 0.00 0.00 34.83 33.50 1kpe s MET 96 CO 0.02 0.52 0.06 0.08 -0.01 0.00 0.00 175.02 175.69 1kpe s VAL 97 N -0.30 -0.01 -0.07 -6.03 1.01 -0.15 -4.95 120.40 109.88 1kpe s VAL 97 Ca 0.10 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.17 1kpe s VAL 97 Cb -0.12 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.16 1kpe s VAL 97 CO 0.01 0.02 -0.18 -0.69 0.00 0.00 0.00 175.10 174.26 1kpe s VAL 98 N 0.32 1.60 -0.09 2.92 1.01 -1.26 -0.60 120.40 124.31 1kpe s VAL 98 Ca -0.02 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1kpe s VAL 98 Cb -0.04 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1kpe s VAL 98 CO -0.01 0.46 -0.07 0.20 0.00 0.00 0.00 175.10 175.67 1kpe s ASN 99 N 0.35 4.60 -0.14 3.32 0.01 -1.26 -5.08 114.94 116.73 1kpe s ASN 99 Ca -0.13 -0.07 0.02 0.00 -0.71 0.00 0.00 52.86 51.97 1kpe s ASN 99 Cb -0.16 -1.30 0.01 0.00 0.41 0.00 0.00 41.25 40.22 1kpe s ASN 99 CO 0.05 0.31 -0.21 -0.70 -1.51 0.00 0.00 177.10 175.05 1kpe s GLU 100 N -0.51 2.92 3.07 -0.60 2.56 -1.26 -4.63 118.70 120.26 1kpe s GLU 100 Ca 0.07 -0.82 0.00 0.00 0.00 0.00 0.00 54.97 54.23 1kpe s GLU 100 Cb -0.12 -2.39 0.00 0.00 2.00 0.00 0.00 34.13 33.62 1kpe s GLU 100 CO 0.02 -0.05 0.00 0.41 -0.56 0.00 0.00 175.26 175.08 1kpe n GLY 101 N 4.18 0.85 0.07 -1.50 0.00 -1.26 -1.89 105.19 105.63 1kpe n GLY 101 Ca -0.20 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 1kpe n GLY 101 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1kpe h SER 102 N 1.09 0.06 0.21 1.61 0.02 -1.96 -0.68 113.55 113.91 1kpe h SER 102 Ca 0.00 -0.44 -0.06 0.00 -0.84 0.00 0.00 61.79 60.45 1kpe h SER 102 Cb 0.00 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1kpe h SER 102 CO 0.00 0.48 -0.27 0.44 -1.14 0.00 0.00 176.83 176.35 1kpe h ASP 103 N -0.37 0.09 1.76 3.07 5.19 -2.00 -1.71 116.42 122.45 1kpe h ASP 103 Ca 0.01 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1kpe h ASP 103 Cb 0.46 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.95 1kpe h ASP 103 CO 0.00 0.36 0.00 1.23 -3.12 0.00 0.00 179.24 177.72 1kpe h GLY 104 N 0.89 0.00 -2.46 2.75 0.00 -1.31 -3.48 103.07 99.46 1kpe h GLY 104 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.23 1kpe h GLY 104 CO 0.04 0.00 -0.20 0.61 0.00 0.00 0.00 176.54 176.99 1kpe n GLY 105 N 1.11 0.50 3.68 4.60 0.00 -0.51 -4.42 105.19 110.15 1kpe n GLY 105 Ca 0.04 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1kpe n GLY 105 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1kpe s GLN 106 N -5.35 4.29 0.15 1.61 0.74 -0.38 -4.90 119.66 115.82 1kpe s GLN 106 Ca 0.17 1.77 0.22 0.00 0.05 0.00 0.00 55.36 57.56 1kpe s GLN 106 Cb -0.07 -3.65 -0.07 0.00 1.10 0.00 0.00 33.01 30.31 1kpe s GLN 106 CO 0.22 -0.58 0.92 -1.13 -0.55 0.00 0.00 175.29 174.16 1kpe n SER 107 N 5.79 0.71 -3.83 6.67 3.41 -1.26 -4.86 113.62 120.25 1kpe n SER 107 Ca 0.13 0.28 -0.14 0.00 -0.26 0.00 0.00 58.87 58.88 1kpe n SER 107 Cb 0.45 0.67 -0.15 0.00 -0.26 0.00 0.00 64.21 64.92 1kpe n SER 107 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1kpe s VAL 108 N -3.33 -0.00 -1.43 -3.33 1.01 -1.26 -5.06 120.40 106.99 1kpe s VAL 108 Ca -0.02 0.09 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 1kpe s VAL 108 Cb 0.10 -0.07 0.05 0.00 0.00 0.00 0.00 36.38 36.46 1kpe s VAL 108 CO 0.81 0.05 2.48 -1.22 0.00 0.00 0.00 175.10 177.23 1kpe n TYR 109 N 3.61 2.69 -3.46 5.22 4.01 -1.26 -4.63 117.16 123.33 1kpe n TYR 109 Ca -0.20 -2.92 -0.07 0.00 -0.16 0.00 0.00 57.90 54.55 1kpe n TYR 109 Cb 0.55 -2.15 -0.08 0.00 -0.31 0.00 0.00 39.34 37.36 1kpe n TYR 109 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1kpe s HIS 110 N 0.63 -0.92 0.09 -0.72 2.46 -1.00 -4.32 115.29 111.51 1kpe s HIS 110 Ca 0.56 1.26 -0.35 0.00 0.47 0.00 0.00 55.06 57.00 1kpe s HIS 110 Cb 0.17 0.22 -0.18 0.00 -0.13 0.00 0.00 32.58 32.65 1kpe s HIS 110 CO -0.07 -0.64 0.97 0.28 -2.47 0.00 0.00 174.74 172.81 1kpe n VAL 111 N 5.39 0.67 -3.69 0.89 0.31 0.18 -4.90 118.33 117.18 1kpe n VAL 111 Ca -0.06 -0.17 -0.12 0.00 -0.01 0.00 0.00 64.34 63.98 1kpe n VAL 111 Cb 0.50 -0.22 -0.09 0.00 -0.91 0.00 0.00 33.84 33.12 1kpe n VAL 111 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1kpe s HIS 112 N -0.25 -0.61 -0.25 3.52 -3.43 -1.26 -4.24 115.29 108.76 1kpe s HIS 112 Ca 0.80 1.42 -0.09 0.00 -0.80 0.00 0.00 55.06 56.39 1kpe s HIS 112 Cb -1.08 0.25 -0.04 0.00 -1.43 0.00 0.00 32.58 30.27 1kpe s HIS 112 CO 0.55 -0.31 0.12 -1.17 -2.00 0.00 0.00 174.74 171.93 1kpe s LEU 113 N 0.62 3.78 0.12 5.38 2.96 -0.37 -4.52 118.68 126.66 1kpe s LEU 113 Ca -0.03 -0.05 -0.18 0.00 -0.22 0.00 0.00 54.13 53.65 1kpe s LEU 113 Cb -0.05 -2.02 -0.07 0.00 0.50 0.00 0.00 46.19 44.55 1kpe s LEU 113 CO -0.04 0.01 0.59 -1.00 -1.32 0.00 0.00 176.35 174.59 1kpe s HIS 114 N 1.38 3.72 -0.10 5.38 3.76 0.23 -1.07 115.29 128.59 1kpe s HIS 114 Ca 0.06 1.23 -0.00 0.00 -0.15 0.00 0.00 55.06 56.20 1kpe s HIS 114 Cb -0.15 -2.48 0.02 0.00 1.11 0.00 0.00 32.58 31.08 1kpe s HIS 114 CO 0.06 0.49 -0.08 0.08 -0.85 0.00 0.00 174.74 174.45 1kpe s VAL 115 N -1.29 0.99 -0.02 -0.90 1.01 0.85 -0.98 120.40 120.06 1kpe s VAL 115 Ca 0.34 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1kpe s VAL 115 Cb -0.18 -1.01 -0.00 0.00 0.00 0.00 0.00 36.38 35.19 1kpe s VAL 115 CO 0.20 0.36 -0.12 -0.76 0.00 0.00 0.00 175.10 174.77 1kpe s LEU 116 N 1.59 1.90 0.00 3.92 1.02 -0.25 -0.65 118.68 126.22 1kpe s LEU 116 Ca 0.03 -0.24 0.00 0.00 0.02 0.00 0.00 54.13 53.94 1kpe s LEU 116 Cb -0.13 -0.68 0.00 0.00 0.02 0.00 0.00 46.19 45.40 1kpe s LEU 116 CO -0.07 0.12 0.00 0.61 0.02 0.00 0.00 176.35 177.03 1kpe n GLY 117 N 3.06 1.58 1.09 -3.19 0.00 -0.41 0.10 105.19 107.44 1kpe n GLY 117 Ca -0.17 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1kpe n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kpe n GLY 118 N 0.00 0.69 3.59 -0.02 0.00 -1.26 -1.37 105.19 106.82 1kpe n GLY 118 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1kpe n GLY 118 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1kpe s ARG 119 N -0.63 1.41 -0.13 1.61 1.70 -1.26 -4.62 118.95 117.02 1kpe s ARG 119 Ca 0.00 -0.64 -0.29 0.00 -0.47 0.00 0.00 55.73 54.33 1kpe s ARG 119 Cb 0.00 0.57 -0.05 0.00 -0.57 0.00 0.00 34.95 34.91 1kpe s ARG 119 CO 0.00 -0.63 1.71 -1.14 -1.08 0.00 0.00 175.30 174.16 1kpe s GLN 120 N -3.73 3.92 0.37 3.89 2.00 -1.26 -4.97 119.66 119.88 1kpe s GLN 120 Ca 0.05 1.98 -0.18 0.00 -2.00 0.00 0.00 55.36 55.21 1kpe s GLN 120 Cb -0.03 -4.05 -0.10 0.00 0.80 0.00 0.00 33.01 29.63 1kpe s GLN 120 CO -0.05 -1.16 0.84 -1.64 -0.50 0.00 0.00 175.29 172.78 1kpe s MET 121 N 4.54 4.13 0.34 1.67 -1.94 -1.26 -5.08 119.30 121.70 1kpe s MET 121 Ca 0.76 0.90 0.08 0.00 -1.71 0.00 0.00 55.69 55.72 1kpe s MET 121 Cb -0.30 -2.33 -0.04 0.00 2.01 0.00 0.00 34.83 34.16 1kpe s MET 121 CO 0.31 0.08 0.13 -1.01 -0.01 0.00 0.00 175.02 174.52 1kpe s HIS 122 N -2.05 2.70 -0.07 -0.03 0.09 -1.26 -5.13 115.29 109.53 1kpe s HIS 122 Ca 0.57 -0.38 0.05 0.00 -0.00 0.00 0.00 55.06 55.30 1kpe s HIS 122 Cb -0.10 -1.61 -0.01 0.00 -0.00 0.00 0.00 32.58 30.86 1kpe s HIS 122 CO 0.16 0.36 -0.22 -0.46 -0.00 0.00 0.00 174.74 174.57 1kpe s TRP 123 N -2.43 2.54 0.71 1.40 -0.11 -1.26 -3.84 118.94 115.96 1kpe s TRP 123 Ca 0.37 -0.71 -0.12 0.00 1.22 0.00 0.00 56.10 56.86 1kpe s TRP 123 Cb -0.02 -1.66 0.03 0.00 -1.50 0.00 0.00 33.47 30.32 1kpe s TRP 123 CO 0.22 -0.21 1.09 -1.25 -4.62 0.00 0.00 176.95 172.19 1kpe s PRO 124 N -0.06 2.58 -1.47 5.86 0.04 -1.26 -5.04 135.00 135.65 1kpe s PRO 124 Ca -0.06 1.23 -0.09 0.00 0.04 0.00 0.00 61.00 62.12 1kpe s PRO 124 Cb -0.14 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 1kpe s PRO 124 CO 0.05 -1.40 2.77 -0.35 0.04 0.00 0.00 177.00 178.11 1kpe n PRO 125 N -3.00 3.34 -0.25 0.56 -0.04 -1.25 -5.22 135.00 129.14 1kpe n PRO 125 Ca 0.09 -2.04 0.00 0.00 -0.04 0.00 0.00 63.50 61.51 1kpe n PRO 125 Cb 0.53 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 1kpe n PRO 125 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87