#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ndk s GLU 9 N 0.00 3.40 0.03 1.97 2.12 -1.24 -4.81 118.70 120.17 1ndk s GLU 9 Ca 0.00 1.86 0.05 0.00 0.36 0.00 0.00 54.97 57.23 1ndk s GLU 9 Cb 0.00 -2.21 -0.02 0.00 0.26 0.00 0.00 34.13 32.16 1ndk s GLU 9 CO 0.00 -0.87 -0.13 1.03 -0.54 0.00 0.00 175.26 174.75 1ndk s ARG 10 N -2.96 0.91 0.16 4.30 0.52 -1.26 -1.30 118.95 119.31 1ndk s ARG 10 Ca 0.70 -0.71 0.05 0.00 -0.52 0.00 0.00 55.73 55.25 1ndk s ARG 10 Cb -0.31 -0.90 -0.04 0.00 0.52 0.00 0.00 34.95 34.22 1ndk s ARG 10 CO 0.36 0.22 -0.11 -0.08 0.02 0.00 0.00 175.30 175.71 1ndk s THR 11 N -0.79 1.27 -0.17 0.02 -1.32 -0.32 -4.76 115.64 109.56 1ndk s THR 11 Ca 0.01 -2.08 -0.04 0.00 -1.21 0.00 0.00 61.69 58.38 1ndk s THR 11 Cb -0.07 -1.87 -0.02 0.00 -1.51 0.00 0.00 72.50 69.02 1ndk s THR 11 CO 0.01 -0.72 -0.04 0.12 -2.21 0.00 0.00 174.62 171.78 1ndk s PHE 12 N -3.25 3.00 -0.02 9.09 5.36 -1.26 -1.76 117.98 129.13 1ndk s PHE 12 Ca 0.18 -0.44 0.05 0.00 -0.96 0.00 0.00 56.93 55.75 1ndk s PHE 12 Cb 0.02 -1.99 -0.01 0.00 -0.34 0.00 0.00 43.02 40.70 1ndk s PHE 12 CO 0.02 -0.16 -0.18 -0.51 -1.46 0.00 0.00 175.22 172.93 1ndk s LEU 13 N 0.63 2.00 -0.12 6.12 2.01 -0.34 -1.32 118.68 127.66 1ndk s LEU 13 Ca -0.03 -0.33 0.02 0.00 0.01 0.00 0.00 54.13 53.81 1ndk s LEU 13 Cb -0.14 -0.93 0.01 0.00 0.01 0.00 0.00 46.19 45.14 1ndk s LEU 13 CO 0.02 0.20 -0.19 0.00 1.01 0.00 0.00 176.35 177.39 1ndk s ALA 14 N -0.27 1.98 -0.27 4.21 0.00 -0.26 -0.48 121.76 126.67 1ndk s ALA 14 Ca 0.04 -0.91 -0.23 0.00 0.00 0.00 0.00 51.96 50.85 1ndk s ALA 14 Cb -0.08 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 1ndk s ALA 14 CO 0.00 0.00 0.78 0.54 0.00 0.00 0.00 175.76 177.08 1ndk s VAL 15 N 0.81 4.84 1.02 0.00 0.11 -0.33 -1.33 120.40 125.53 1ndk s VAL 15 Ca -0.09 1.36 -0.16 0.00 -2.93 0.00 0.00 61.98 60.16 1ndk s VAL 15 Cb -0.16 -4.10 0.21 0.00 -1.53 0.00 0.00 36.38 30.81 1ndk s VAL 15 CO -0.00 -0.12 1.20 -0.54 -3.33 0.00 0.00 175.10 172.30 1ndk s LYS 16 N 2.83 0.19 0.48 1.54 1.02 0.12 -2.19 119.74 123.72 1ndk s LYS 16 Ca 0.33 -0.08 0.22 0.00 0.02 0.00 0.00 55.97 56.46 1ndk s LYS 16 Cb -0.15 -1.76 1.25 0.00 -0.52 0.00 0.00 37.83 36.65 1ndk s LYS 16 CO 0.09 -2.77 1.92 -1.35 -0.92 0.00 0.00 175.35 172.32 1ndk h PRO 17 N -1.90 0.20 -0.10 -1.68 0.11 -1.86 -1.19 132.00 125.58 1ndk h PRO 17 Ca -0.46 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.46 1ndk h PRO 17 Cb 1.28 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1ndk h PRO 17 CO 0.44 0.14 -0.66 0.38 -0.21 0.00 0.00 178.00 178.08 1ndk h ASP 18 N 0.21 0.47 -0.25 -2.05 2.03 -1.88 -0.47 116.42 114.48 1ndk h ASP 18 Ca 0.37 -0.29 -0.14 0.00 -0.73 0.00 0.00 57.03 56.24 1ndk h ASP 18 Cb 1.16 -0.14 -0.00 0.00 -0.83 0.00 0.00 39.33 39.52 1ndk h ASP 18 CO -0.08 1.00 -0.40 1.23 -1.03 0.00 0.00 179.24 179.97 1ndk h GLY 19 N 1.27 0.77 0.95 7.15 0.00 -1.40 -1.85 103.07 109.96 1ndk h GLY 19 Ca -0.02 -0.88 -0.01 0.00 0.00 0.00 0.00 47.33 46.43 1ndk h GLY 19 CO 0.11 0.79 0.15 -2.08 0.00 0.00 0.00 176.54 175.51 1ndk h VAL 20 N 0.43 1.12 0.00 4.60 2.07 -1.30 -2.04 116.25 121.13 1ndk h VAL 20 Ca 0.02 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 1ndk h VAL 20 Cb 1.00 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1ndk h VAL 20 CO 0.09 0.12 -0.29 0.00 0.02 0.00 0.00 177.57 177.51 1ndk h ALA 21 N 1.03 1.51 -0.05 1.67 0.00 -1.06 -1.29 119.26 121.06 1ndk h ALA 21 Ca 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ndk h ALA 21 Cb 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ndk h ALA 21 CO -0.02 0.37 0.00 0.54 0.00 0.00 0.00 179.25 180.14 1ndk n ARG 22 N -4.17 1.40 -2.79 0.00 1.74 -0.70 -4.93 116.66 107.21 1ndk n ARG 22 Ca -0.02 -0.59 -0.08 0.00 -0.77 0.00 0.00 57.85 56.38 1ndk n ARG 22 Cb 0.34 -1.41 0.03 0.00 -1.02 0.00 0.00 32.46 30.40 1ndk n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ndk n GLY 23 N 1.04 0.32 0.39 -0.13 0.00 -0.49 -4.96 105.19 101.36 1ndk n GLY 23 Ca 0.18 -0.31 0.05 0.00 0.00 0.00 0.00 46.02 45.94 1ndk n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ndk n LEU 24 N -2.17 1.82 0.29 0.99 4.32 -0.79 -4.73 117.00 116.73 1ndk n LEU 24 Ca -0.03 -1.00 -0.17 0.00 -0.02 0.00 0.00 56.01 54.79 1ndk n LEU 24 Cb 0.54 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.25 1ndk n LEU 24 CO 0.24 0.35 0.68 0.58 -1.22 0.00 0.00 177.39 178.02 1ndk h VAL 25 N 1.93 0.43 -0.68 4.08 2.07 -1.88 -2.21 116.25 119.98 1ndk h VAL 25 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1ndk h VAL 25 Cb 0.41 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1ndk h VAL 25 CO 0.00 0.00 0.45 1.23 0.02 0.00 0.00 177.57 179.27 1ndk h GLY 26 N -0.74 0.96 0.55 2.17 0.00 -1.98 -1.46 103.07 102.58 1ndk h GLY 26 Ca -0.06 -0.36 0.10 0.00 0.00 0.00 0.00 47.33 47.00 1ndk h GLY 26 CO 0.09 0.35 0.56 -2.09 0.00 0.00 0.00 176.54 175.45 1ndk h GLU 27 N 0.93 0.90 -0.13 4.80 4.57 -1.86 0.16 114.58 123.95 1ndk h GLU 27 Ca 0.25 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.30 1ndk h GLU 27 Cb -0.11 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.28 1ndk h GLU 27 CO -0.05 0.60 -0.22 0.82 -1.18 0.00 0.00 179.01 178.97 1ndk h ILE 28 N 0.93 1.37 -0.72 2.32 2.04 -1.00 -2.68 117.51 119.77 1ndk h ILE 28 Ca 0.44 -1.47 -0.05 0.00 1.00 0.00 0.00 64.86 64.77 1ndk h ILE 28 Cb 0.37 2.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 1ndk h ILE 28 CO -0.24 0.43 0.24 0.40 0.00 0.00 0.00 178.15 178.98 1ndk h ILE 29 N -0.02 1.26 -0.43 -0.67 2.04 -0.94 -2.66 117.51 116.10 1ndk h ILE 29 Ca 0.01 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 1ndk h ILE 29 Cb 0.80 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1ndk h ILE 29 CO 0.05 0.35 0.18 0.00 0.00 0.00 0.00 178.15 178.72 1ndk h ALA 30 N 1.12 1.51 -0.48 1.87 0.00 -0.97 -0.37 119.26 121.94 1ndk h ALA 30 Ca 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ndk h ALA 30 Cb 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1ndk h ALA 30 CO -0.01 0.38 0.30 0.00 0.00 0.00 0.00 179.25 179.92 1ndk h ARG 31 N 0.60 0.64 0.00 0.00 3.08 -1.12 -0.75 114.38 116.83 1ndk h ARG 31 Ca 0.15 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.00 1ndk h ARG 31 Cb 0.11 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1ndk h ARG 31 CO -0.02 0.45 -0.73 1.88 -1.07 0.00 0.00 179.97 180.49 1ndk h TYR 32 N 0.64 0.00 -0.28 3.04 0.05 -1.33 -2.46 116.97 116.63 1ndk h TYR 32 Ca 0.17 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.90 1ndk h TYR 32 Cb -0.04 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 1ndk h TYR 32 CO -0.04 0.73 -0.03 0.93 -1.05 0.00 0.00 178.16 178.70 1ndk h GLU 33 N 0.00 0.52 -0.93 4.88 5.08 -0.93 -2.41 114.58 120.79 1ndk h GLU 33 Ca -0.01 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1ndk h GLU 33 Cb 1.30 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.47 1ndk h GLU 33 CO 0.09 0.70 0.58 0.87 -1.00 0.00 0.00 179.01 180.26 1ndk h LYS 34 N 0.29 1.24 -0.03 2.33 1.57 -1.09 -2.19 116.57 118.69 1ndk h LYS 34 Ca 0.08 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1ndk h LYS 34 Cb 0.48 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1ndk h LYS 34 CO 0.02 0.84 0.02 -0.22 -0.57 0.00 0.00 179.45 179.55 1ndk h LYS 35 N 1.27 0.00 0.00 3.15 1.63 -1.43 -3.47 116.57 117.71 1ndk h LYS 35 Ca 0.34 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.14 1ndk h LYS 35 Cb -0.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.53 1ndk h LYS 35 CO -0.07 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.34 1ndk n GLY 36 N -1.49 0.84 3.78 5.01 0.00 -0.82 -5.10 105.19 107.40 1ndk n GLY 36 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1ndk n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ndk s PHE 37 N -2.00 3.09 -0.19 1.61 0.08 -0.93 -4.83 117.98 114.81 1ndk s PHE 37 Ca 0.00 1.59 -0.07 0.00 0.12 0.00 0.00 56.93 58.57 1ndk s PHE 37 Cb 0.00 -3.24 -0.04 0.00 -0.57 0.00 0.00 43.02 39.17 1ndk s PHE 37 CO 0.00 -1.03 0.07 0.08 -0.10 0.00 0.00 175.22 174.23 1ndk s VAL 38 N -1.61 4.72 -0.34 -0.44 1.01 0.22 -4.46 120.40 119.50 1ndk s VAL 38 Ca 0.60 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.24 1ndk s VAL 38 Cb -0.25 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 1ndk s VAL 38 CO 0.31 0.44 1.54 -0.22 0.00 0.00 0.00 175.10 177.16 1ndk s LEU 39 N 0.59 3.66 0.00 3.92 2.96 -1.26 -0.02 118.68 128.52 1ndk s LEU 39 Ca 0.03 1.15 0.08 0.00 -0.22 0.00 0.00 54.13 55.17 1ndk s LEU 39 Cb -0.13 -3.53 0.12 0.00 0.50 0.00 0.00 46.19 43.15 1ndk s LEU 39 CO 0.01 -1.43 0.92 1.33 -1.32 0.00 0.00 176.35 175.86 1ndk n VAL 40 N 6.94 0.35 -3.64 1.68 0.24 -0.31 -4.92 118.33 118.68 1ndk n VAL 40 Ca 0.18 -0.68 -0.09 0.00 -2.04 0.00 0.00 64.34 61.71 1ndk n VAL 40 Cb 0.47 0.94 -0.07 0.00 -1.47 0.00 0.00 33.84 33.71 1ndk n VAL 40 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ndk s GLY 41 N -0.81 -0.20 -0.27 7.63 0.00 -1.15 -0.37 107.32 112.16 1ndk s GLY 41 Ca 0.13 2.62 -0.16 0.00 0.00 0.00 0.00 44.72 47.31 1ndk s GLY 41 CO 0.11 1.88 0.66 -2.27 0.00 0.00 0.00 173.10 173.48 1ndk s LEU 42 N 0.33 -0.84 -0.08 0.66 2.96 -1.26 -1.44 118.68 119.02 1ndk s LEU 42 Ca 0.02 1.45 -0.30 0.00 -0.22 0.00 0.00 54.13 55.08 1ndk s LEU 42 Cb -0.05 2.29 0.09 0.00 0.50 0.00 0.00 46.19 49.02 1ndk s LEU 42 CO -0.06 -0.24 0.80 -1.59 -1.32 0.00 0.00 176.35 173.94 1ndk s LYS 43 N 1.49 0.89 -0.12 1.98 -2.85 -0.76 -5.02 119.74 115.36 1ndk s LYS 43 Ca -0.09 0.16 -0.06 0.00 -1.00 0.00 0.00 55.97 54.98 1ndk s LYS 43 Cb -0.05 0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 36.10 1ndk s LYS 43 CO -0.17 -0.29 0.12 -1.14 0.10 0.00 0.00 175.35 173.97 1ndk s GLN 44 N -1.37 3.38 0.13 1.78 0.74 -1.26 -0.54 119.66 122.52 1ndk s GLN 44 Ca -0.06 -0.17 -0.23 0.00 0.05 0.00 0.00 55.36 54.95 1ndk s GLN 44 Cb -0.00 -3.13 0.06 0.00 1.10 0.00 0.00 33.01 31.04 1ndk s GLN 44 CO 0.05 0.76 0.58 -0.48 -0.55 0.00 0.00 175.29 175.65 1ndk s LEU 45 N -0.99 -0.42 -0.42 3.68 2.34 -0.51 -4.98 118.68 117.38 1ndk s LEU 45 Ca 0.15 0.04 -0.14 0.00 0.06 0.00 0.00 54.13 54.24 1ndk s LEU 45 Cb -0.12 2.46 0.04 0.00 -0.56 0.00 0.00 46.19 48.01 1ndk s LEU 45 CO 0.04 -0.90 0.30 -0.69 -1.06 0.00 0.00 176.35 174.04 1ndk s VAL 46 N -3.41 5.04 0.37 1.48 1.01 -1.26 0.02 120.40 123.64 1ndk s VAL 46 Ca -0.00 -0.87 -0.27 0.00 0.00 0.00 0.00 61.98 60.84 1ndk s VAL 46 Cb -0.01 -3.88 -0.11 0.00 0.00 0.00 0.00 36.38 32.38 1ndk s VAL 46 CO -0.10 -0.38 1.29 -2.65 0.00 0.00 0.00 175.10 173.26 1ndk n PRO 47 N 5.12 2.08 -2.46 2.72 -0.02 -1.26 -4.99 135.00 136.19 1ndk n PRO 47 Ca -0.11 0.73 -0.34 0.00 -2.02 0.00 0.00 63.50 61.76 1ndk n PRO 47 Cb 0.46 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 1ndk n PRO 47 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ndk s THR 48 N -1.13 3.61 0.43 3.45 2.01 -1.26 -4.61 115.64 118.14 1ndk s THR 48 Ca 0.57 1.00 0.10 0.00 0.31 0.00 0.00 61.69 63.67 1ndk s THR 48 Cb -0.55 -3.40 0.28 0.00 0.01 0.00 0.00 72.50 68.84 1ndk s THR 48 CO 0.61 -0.21 2.06 0.50 -0.69 0.00 0.00 174.62 176.88 1ndk h LYS 49 N 1.46 0.42 -0.53 4.92 3.64 -1.95 -0.35 116.57 124.19 1ndk h LYS 49 Ca -0.50 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 58.79 1ndk h LYS 49 Cb 1.23 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1ndk h LYS 49 CO 0.58 0.28 0.07 -0.44 -2.27 0.00 0.00 179.45 177.68 1ndk h ASP 50 N 0.44 0.85 -0.11 4.20 5.19 -2.00 -1.59 116.42 123.40 1ndk h ASP 50 Ca 0.16 -0.27 -0.03 0.00 -0.62 0.00 0.00 57.03 56.26 1ndk h ASP 50 Cb 0.08 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.36 1ndk h ASP 50 CO -0.04 0.90 -0.07 0.25 -3.12 0.00 0.00 179.24 177.17 1ndk h LEU 51 N 0.76 0.25 -0.76 1.55 5.85 -1.83 -2.66 115.31 118.47 1ndk h LEU 51 Ca 0.16 -0.44 0.04 0.00 0.84 0.00 0.00 57.88 58.48 1ndk h LEU 51 Cb 0.42 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1ndk h LEU 51 CO 0.01 0.63 0.47 0.00 -0.34 0.00 0.00 178.44 179.21 1ndk h ALA 52 N 0.63 1.01 -0.36 1.25 0.00 -1.02 0.05 119.26 120.81 1ndk h ALA 52 Ca 0.02 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1ndk h ALA 52 Cb 0.54 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ndk h ALA 52 CO 0.02 0.24 -0.23 0.93 0.00 0.00 0.00 179.25 180.21 1ndk h GLU 53 N 0.90 0.71 -0.40 0.00 5.08 -1.30 -1.63 114.58 117.94 1ndk h GLU 53 Ca 0.31 -0.28 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 1ndk h GLU 53 Cb 0.07 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1ndk h GLU 53 CO -0.13 0.87 -0.34 0.77 -1.00 0.00 0.00 179.01 179.18 1ndk h SER 54 N 0.62 0.98 -0.73 1.42 0.02 -1.14 -1.89 113.55 112.82 1ndk h SER 54 Ca 0.09 -0.42 -0.05 0.00 -0.84 0.00 0.00 61.79 60.56 1ndk h SER 54 Cb 0.72 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 1ndk h SER 54 CO 0.06 1.21 0.25 -0.74 -1.14 0.00 0.00 176.83 176.47 1ndk h HIS 55 N 0.77 1.17 -0.57 3.45 -0.00 -0.77 -2.87 115.15 116.32 1ndk h HIS 55 Ca 0.07 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 1ndk h HIS 55 Cb 0.92 -0.34 0.00 0.00 -0.00 0.00 0.00 27.41 27.99 1ndk h HIS 55 CO 0.06 0.91 0.00 0.66 -0.00 0.00 0.00 177.93 179.56 1ndk n TYR 56 N -4.26 1.40 -0.15 5.26 4.01 -0.63 -4.62 117.16 118.17 1ndk n TYR 56 Ca 0.06 -0.55 0.24 0.00 -0.16 0.00 0.00 57.90 57.50 1ndk n TYR 56 Cb 0.22 -0.26 0.66 0.00 -0.31 0.00 0.00 39.34 39.65 1ndk n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ndk h ALA 57 N 3.96 2.59 0.00 -0.72 0.00 -1.11 -0.30 119.26 123.68 1ndk h ALA 57 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ndk h ALA 57 Cb 1.39 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1ndk h ALA 57 CO 0.24 -0.83 -0.05 1.49 0.00 0.00 0.00 179.25 180.10 1ndk h GLU 58 N 0.11 0.00 -0.59 0.00 4.22 -1.85 -1.96 114.58 114.50 1ndk h GLU 58 Ca 0.39 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.83 1ndk h GLU 58 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1ndk h GLU 58 CO -0.05 0.05 0.00 0.72 -2.18 0.00 0.00 179.01 177.55 1ndk n HIS 59 N -4.33 1.29 -0.17 0.92 8.25 -0.13 -4.67 115.22 116.37 1ndk n HIS 59 Ca -0.03 -0.61 0.16 0.00 -0.26 0.00 0.00 57.72 56.98 1ndk n HIS 59 Cb 0.14 -0.20 0.51 0.00 1.12 0.00 0.00 29.99 31.55 1ndk n HIS 59 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1ndk h LYS 60 N 3.69 0.39 0.00 -0.41 3.64 -1.39 -2.02 116.57 120.47 1ndk h LYS 60 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1ndk h LYS 60 Cb 1.34 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1ndk h LYS 60 CO 0.19 0.26 -0.46 0.93 -2.27 0.00 0.00 179.45 178.09 1ndk h GLU 61 N 0.41 0.00 -6.52 1.90 3.07 -1.83 -3.47 114.58 108.14 1ndk h GLU 61 Ca 0.38 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.71 1ndk h GLU 61 Cb 0.89 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.77 1ndk h GLU 61 CO -0.12 0.00 -0.02 1.03 -1.40 0.00 0.00 179.01 178.50 1ndk s ARG 62 N -3.21 3.95 0.51 2.33 1.81 -0.76 -4.99 118.95 118.60 1ndk s ARG 62 Ca 0.06 0.50 0.23 0.00 -1.72 0.00 0.00 55.73 54.81 1ndk s ARG 62 Cb 0.11 -2.67 1.38 0.00 -0.45 0.00 0.00 34.95 33.32 1ndk s ARG 62 CO 0.70 0.31 2.09 -1.00 -0.68 0.00 0.00 175.30 176.72 1ndk h PRO 63 N 2.76 0.00 0.00 3.54 0.13 -1.90 -1.69 132.00 134.85 1ndk h PRO 63 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ndk h PRO 63 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ndk h PRO 63 CO 0.67 0.11 0.00 1.97 -0.23 0.00 0.00 178.00 180.52 1ndk n PHE 64 N -3.93 0.00 -0.20 1.56 1.16 -1.26 -3.80 117.46 110.99 1ndk n PHE 64 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.56 1ndk n PHE 64 Cb 0.20 -0.17 0.11 0.00 -1.61 0.00 0.00 39.48 38.01 1ndk n PHE 64 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1ndk h PHE 65 N 0.00 0.28 0.00 2.97 3.57 -1.47 -2.11 116.94 120.19 1ndk h PHE 65 Ca 0.00 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 1ndk h PHE 65 Cb 0.16 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1ndk h PHE 65 CO 0.00 0.02 -0.30 0.78 -2.23 0.00 0.00 178.31 176.58 1ndk h GLY 66 N 0.32 0.00 0.58 2.40 0.00 -1.81 -1.91 103.07 102.65 1ndk h GLY 66 Ca 0.31 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.60 1ndk h GLY 66 CO -0.36 0.00 -0.14 -1.33 0.00 0.00 0.00 176.54 174.72 1ndk h GLY 67 N 1.43 0.21 -0.36 4.60 0.00 -1.64 -0.22 103.07 107.09 1ndk h GLY 67 Ca -0.00 -0.26 0.24 0.00 0.00 0.00 0.00 47.33 47.30 1ndk h GLY 67 CO 0.04 0.23 0.34 1.41 0.00 0.00 0.00 176.54 178.56 1ndk h LEU 68 N -0.31 0.19 -0.02 3.11 4.07 -1.18 -1.31 115.31 119.86 1ndk h LEU 68 Ca -0.00 0.18 -0.26 0.00 0.08 0.00 0.00 57.88 57.88 1ndk h LEU 68 Cb 0.73 0.20 0.01 0.00 1.08 0.00 0.00 40.66 42.68 1ndk h LEU 68 CO 0.03 -0.09 -1.08 0.58 -1.08 0.00 0.00 178.44 176.79 1ndk h VAL 69 N 0.30 1.36 -0.29 1.22 2.07 -1.15 -3.03 116.25 116.73 1ndk h VAL 69 Ca 0.58 -2.50 -0.01 0.00 0.82 0.00 0.00 66.70 65.58 1ndk h VAL 69 Cb 1.16 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 33.48 1ndk h VAL 69 CO -0.60 0.75 0.12 0.28 0.02 0.00 0.00 177.57 178.14 1ndk h SER 70 N 0.25 0.39 -0.20 0.57 0.02 -0.53 -3.01 113.55 111.04 1ndk h SER 70 Ca -0.13 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.63 1ndk h SER 70 Cb 1.75 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 64.18 1ndk h SER 70 CO 0.20 0.44 -0.03 0.15 -1.14 0.00 0.00 176.83 176.45 1ndk h PHE 71 N 0.32 0.41 0.00 3.45 3.57 -1.34 -3.02 116.94 120.32 1ndk h PHE 71 Ca 0.10 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1ndk h PHE 71 Cb 0.16 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 1ndk h PHE 71 CO -0.01 0.60 -0.06 0.97 -2.23 0.00 0.00 178.31 177.57 1ndk h ILE 72 N 0.10 0.15 -0.31 1.41 2.10 -1.52 0.55 117.51 119.99 1ndk h ILE 72 Ca 0.05 -0.72 0.00 0.00 1.08 0.00 0.00 64.86 65.28 1ndk h ILE 72 Cb 0.45 1.62 0.00 0.00 -1.09 0.00 0.00 36.82 37.80 1ndk h ILE 72 CO 0.02 0.06 0.00 0.35 -1.08 0.00 0.00 178.15 177.50 1ndk n THR 73 N -3.18 0.40 0.32 2.19 -2.24 -1.14 -4.24 114.28 106.40 1ndk n THR 73 Ca 0.01 -0.60 0.12 0.00 -2.27 0.00 0.00 64.05 61.31 1ndk n THR 73 Cb 0.36 0.74 0.18 0.00 -2.10 0.00 0.00 70.33 69.51 1ndk n THR 73 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ndk h SER 74 N 3.61 0.00 -1.12 3.42 4.64 -0.74 -3.45 113.55 119.91 1ndk h SER 74 Ca 0.00 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1ndk h SER 74 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1ndk h SER 74 CO 0.00 0.01 0.03 0.61 -0.87 0.00 0.00 176.83 176.61 1ndk n GLY 75 N 1.19 1.81 3.76 -0.77 0.00 -1.26 -5.10 105.19 104.82 1ndk n GLY 75 Ca 0.03 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 1ndk n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ndk s PRO 76 N -2.01 3.57 -0.01 1.61 0.04 -1.26 -4.41 135.00 132.53 1ndk s PRO 76 Ca 0.02 1.93 0.07 0.00 0.04 0.00 0.00 61.00 63.05 1ndk s PRO 76 Cb -0.00 -2.37 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 1ndk s PRO 76 CO 0.01 -0.75 -0.21 0.08 0.04 0.00 0.00 177.00 176.17 1ndk s VAL 77 N -1.46 1.67 -0.28 -0.36 1.01 0.10 -3.71 120.40 117.38 1ndk s VAL 77 Ca 0.66 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 1ndk s VAL 77 Cb -0.33 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1ndk s VAL 77 CO 0.39 0.45 0.08 0.68 0.00 0.00 0.00 175.10 176.71 1ndk s VAL 78 N -0.52 4.15 -0.15 2.92 -7.23 -0.93 -1.42 120.40 117.21 1ndk s VAL 78 Ca 0.08 -0.48 -0.15 0.00 -1.81 0.00 0.00 61.98 59.62 1ndk s VAL 78 Cb -0.08 -3.06 -0.05 0.00 0.56 0.00 0.00 36.38 33.75 1ndk s VAL 78 CO -0.01 0.17 0.33 0.00 -0.31 0.00 0.00 175.10 175.28 1ndk s ALA 79 N 1.55 3.57 0.04 1.32 0.00 0.30 -1.19 121.76 127.35 1ndk s ALA 79 Ca 0.04 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.62 1ndk s ALA 79 Cb -0.16 -2.44 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 1ndk s ALA 79 CO 0.03 0.06 -0.08 -1.64 0.00 0.00 0.00 175.76 174.13 1ndk s MET 80 N 0.52 0.55 -0.07 0.00 1.00 0.36 -1.83 119.30 119.84 1ndk s MET 80 Ca 0.18 -0.75 0.03 0.00 0.00 0.00 0.00 55.69 55.15 1ndk s MET 80 Cb -0.13 -0.35 0.01 0.00 0.00 0.00 0.00 34.83 34.36 1ndk s MET 80 CO 0.05 0.06 -0.16 0.14 0.00 0.00 0.00 175.02 175.12 1ndk s VAL 81 N -1.31 1.38 0.06 -6.03 -7.23 -0.52 -1.19 120.40 105.55 1ndk s VAL 81 Ca -0.09 -0.63 0.04 0.00 -1.81 0.00 0.00 61.98 59.49 1ndk s VAL 81 Cb -0.10 -1.23 -0.04 0.00 0.56 0.00 0.00 36.38 35.58 1ndk s VAL 81 CO 0.01 0.41 -0.01 -0.36 -0.31 0.00 0.00 175.10 174.83 1ndk s PHE 82 N 0.50 2.99 -0.03 2.82 0.08 -0.72 -1.16 117.98 122.46 1ndk s PHE 82 Ca -0.14 -0.00 0.07 0.00 0.12 0.00 0.00 56.93 56.97 1ndk s PHE 82 Cb -0.16 -1.58 -0.02 0.00 -0.57 0.00 0.00 43.02 40.69 1ndk s PHE 82 CO 0.05 0.46 -0.23 -2.00 -0.10 0.00 0.00 175.22 173.40 1ndk s GLU 83 N -1.99 2.25 0.00 0.44 2.12 0.97 -1.18 118.70 121.31 1ndk s GLU 83 Ca 0.23 -0.86 0.00 0.00 0.36 0.00 0.00 54.97 54.70 1ndk s GLU 83 Cb -0.12 -2.14 0.00 0.00 0.26 0.00 0.00 34.13 32.13 1ndk s GLU 83 CO 0.15 0.57 0.00 0.41 -0.54 0.00 0.00 175.26 175.84 1ndk n GLY 84 N 2.44 2.04 3.68 -1.50 0.00 -0.42 -0.61 105.19 110.83 1ndk n GLY 84 Ca -0.16 -1.02 -0.44 0.00 0.00 0.00 0.00 46.02 44.39 1ndk n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ndk n LYS 85 N -0.87 2.55 -2.56 1.61 4.81 -1.26 -2.83 118.16 119.61 1ndk n LYS 85 Ca 0.00 0.93 -0.17 0.00 -0.87 0.00 0.00 58.31 58.20 1ndk n LYS 85 Cb 0.00 -2.79 0.01 0.00 0.02 0.00 0.00 35.03 32.27 1ndk n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ndk n GLY 86 N 4.13 -0.27 0.16 3.14 0.00 -1.26 -4.89 105.19 106.19 1ndk n GLY 86 Ca 0.19 -0.15 0.03 0.00 0.00 0.00 0.00 46.02 46.08 1ndk n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ndk h VAL 87 N -0.51 1.06 -0.05 1.61 3.04 -1.82 -2.23 116.25 117.35 1ndk h VAL 87 Ca -0.39 -1.94 -0.01 0.00 -1.01 0.00 0.00 66.70 63.34 1ndk h VAL 87 Cb 1.28 2.15 -0.00 0.00 -2.01 0.00 0.00 31.29 32.71 1ndk h VAL 87 CO 0.44 0.49 -0.01 0.58 -1.01 0.00 0.00 177.57 178.07 1ndk h VAL 88 N 0.00 1.27 -0.15 1.51 2.07 -1.87 0.19 116.25 119.26 1ndk h VAL 88 Ca -0.01 -0.83 -0.22 0.00 0.82 0.00 0.00 66.70 66.46 1ndk h VAL 88 Cb 1.11 1.73 0.01 0.00 -1.52 0.00 0.00 31.29 32.62 1ndk h VAL 88 CO 0.07 0.23 -0.78 0.00 0.02 0.00 0.00 177.57 177.10 1ndk h ALA 89 N 0.69 0.32 -0.42 1.67 0.00 -1.89 -2.94 119.26 116.68 1ndk h ALA 89 Ca 0.01 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 1ndk h ALA 89 Cb 0.36 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1ndk h ALA 89 CO 0.00 0.69 0.20 1.03 0.00 0.00 0.00 179.25 181.17 1ndk h SER 90 N 0.53 0.56 -0.66 0.00 0.87 -1.31 -0.22 113.55 113.32 1ndk h SER 90 Ca -0.05 -0.13 0.04 0.00 -1.23 0.00 0.00 61.79 60.41 1ndk h SER 90 Cb 1.41 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 63.19 1ndk h SER 90 CO 0.16 0.53 0.44 0.00 -0.53 0.00 0.00 176.83 177.43 1ndk h ALA 91 N 1.05 1.64 -0.11 6.23 0.00 -0.63 -0.21 119.26 127.23 1ndk h ALA 91 Ca 0.15 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1ndk h ALA 91 Cb 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ndk h ALA 91 CO -0.02 0.28 -0.23 0.00 0.00 0.00 0.00 179.25 179.28 1ndk h ARG 92 N 0.78 0.36 -0.99 0.00 3.08 -1.24 -2.19 114.38 114.17 1ndk h ARG 92 Ca 0.27 -0.23 0.19 0.00 0.07 0.00 0.00 59.98 60.27 1ndk h ARG 92 Cb 0.09 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.08 1ndk h ARG 92 CO -0.08 0.83 0.61 1.25 -1.07 0.00 0.00 179.97 181.52 1ndk h LEU 93 N -0.07 0.73 -0.32 3.04 5.85 -0.11 -2.32 115.31 122.11 1ndk h LEU 93 Ca 0.00 0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.67 1ndk h LEU 93 Cb 0.82 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1ndk h LEU 93 CO 0.05 0.28 -0.66 0.24 -0.34 0.00 0.00 178.44 178.00 1ndk h MET 94 N 0.72 0.00 -0.34 1.25 2.86 -0.87 -3.15 114.93 115.39 1ndk h MET 94 Ca 0.55 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 58.05 1ndk h MET 94 Cb 0.92 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 1ndk h MET 94 CO -0.33 0.66 -0.34 0.82 1.06 0.00 0.00 176.91 178.78 1ndk h ILE 95 N 0.00 1.28 0.00 -1.22 2.04 -1.08 -0.60 117.51 117.93 1ndk h ILE 95 Ca -0.01 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.34 1ndk h ILE 95 Cb 1.37 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 1ndk h ILE 95 CO 0.09 0.50 0.00 0.61 0.00 0.00 0.00 178.15 179.35 1ndk n GLY 96 N 0.15 -0.24 3.79 5.37 0.00 -0.90 -1.38 105.19 111.98 1ndk n GLY 96 Ca -0.03 -1.94 -0.26 0.00 0.00 0.00 0.00 46.02 43.80 1ndk n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ndk s VAL 97 N 0.00 2.04 0.20 1.61 -7.23 -1.26 -4.77 120.40 111.00 1ndk s VAL 97 Ca 0.00 -1.65 -0.14 0.00 -1.81 0.00 0.00 61.98 58.38 1ndk s VAL 97 Cb 0.00 -2.69 0.21 0.00 0.56 0.00 0.00 36.38 34.45 1ndk s VAL 97 CO 0.00 0.00 1.63 0.74 -0.31 0.00 0.00 175.10 177.16 1ndk h THR 98 N 1.21 0.40 -3.64 5.32 2.02 -1.98 -3.37 112.91 112.87 1ndk h THR 98 Ca -0.41 0.00 -0.60 0.00 0.77 0.00 0.00 66.41 66.16 1ndk h THR 98 Cb 1.27 0.40 -0.11 0.00 -1.74 0.00 0.00 68.15 67.97 1ndk h THR 98 CO 0.66 0.00 0.57 0.21 0.37 0.00 0.00 175.52 177.33 1ndk s ASN 99 N -5.23 6.49 0.37 4.18 2.47 -1.26 -4.63 114.94 117.33 1ndk s ASN 99 Ca -0.14 0.08 0.08 0.00 0.42 0.00 0.00 52.86 53.30 1ndk s ASN 99 Cb 0.18 -2.45 0.81 0.00 -1.45 0.00 0.00 41.25 38.35 1ndk s ASN 99 CO 0.73 -1.06 1.95 -0.65 -3.72 0.00 0.00 177.10 174.35 1ndk h PRO 100 N 9.09 0.66 -0.10 0.43 0.11 -1.84 -0.58 132.00 139.77 1ndk h PRO 100 Ca -0.24 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.86 1ndk h PRO 100 Cb 1.08 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1ndk h PRO 100 CO 1.03 0.44 0.09 -0.07 -0.21 0.00 0.00 178.00 179.27 1ndk h LEU 101 N 0.68 0.00 -0.73 2.35 4.07 -1.77 -2.14 115.31 117.77 1ndk h LEU 101 Ca 0.33 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.29 1ndk h LEU 101 Cb 0.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1ndk h LEU 101 CO -0.12 0.00 -0.62 0.00 -1.08 0.00 0.00 178.44 176.63 1ndk n ALA 102 N -2.46 3.89 -1.83 1.53 0.00 -0.27 -4.93 120.51 116.43 1ndk n ALA 102 Ca -0.00 -0.63 -0.40 0.00 0.00 0.00 0.00 53.44 52.40 1ndk n ALA 102 Cb 0.20 -0.79 -0.05 0.00 0.00 0.00 0.00 19.45 18.81 1ndk n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ndk s SER 103 N -2.62 7.48 0.45 0.00 0.01 -0.80 -4.89 113.70 113.33 1ndk s SER 103 Ca 0.16 2.05 -0.25 0.00 1.31 0.00 0.00 55.95 59.22 1ndk s SER 103 Cb 0.18 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.72 1ndk s SER 103 CO 0.65 0.01 1.35 0.00 0.41 0.00 0.00 173.24 175.66 1ndk s ALA 104 N -0.97 3.14 0.04 1.44 0.00 -1.26 -4.28 121.76 119.88 1ndk s ALA 104 Ca 0.43 1.31 -0.38 0.00 0.00 0.00 0.00 51.96 53.33 1ndk s ALA 104 Cb -0.28 -3.53 -0.17 0.00 0.00 0.00 0.00 23.12 19.14 1ndk s ALA 104 CO 0.35 -1.05 1.31 -2.30 0.00 0.00 0.00 175.76 174.07 1ndk n PRO 105 N -0.26 0.91 0.00 0.00 -0.02 -1.26 -1.67 135.00 132.70 1ndk n PRO 105 Ca 0.06 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1ndk n PRO 105 Cb 0.44 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1ndk n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ndk n GLY 106 N 2.42 2.82 3.92 -1.23 0.00 -1.26 -4.98 105.19 106.88 1ndk n GLY 106 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1ndk n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ndk s SER 107 N -0.92 5.49 0.00 1.61 1.04 -0.67 -4.91 113.70 115.35 1ndk s SER 107 Ca 0.00 0.65 -0.25 0.00 0.48 0.00 0.00 55.95 56.83 1ndk s SER 107 Cb 0.00 -1.60 -0.17 0.00 0.10 0.00 0.00 66.02 64.35 1ndk s SER 107 CO 0.00 -1.13 1.23 0.40 0.98 0.00 0.00 173.24 174.72 1ndk h ILE 108 N -0.21 0.77 -0.21 -1.02 2.04 -1.05 0.96 117.51 118.79 1ndk h ILE 108 Ca -0.45 -0.66 -0.10 0.00 1.00 0.00 0.00 64.86 64.65 1ndk h ILE 108 Cb 1.26 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 1ndk h ILE 108 CO 0.60 0.13 -0.30 0.03 0.00 0.00 0.00 178.15 178.62 1ndk h ARG 109 N -0.72 0.41 -0.65 2.37 3.08 -1.49 -0.91 114.38 116.47 1ndk h ARG 109 Ca -0.04 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 1ndk h ARG 109 Cb 0.49 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 1ndk h ARG 109 CO 0.06 0.67 0.31 0.78 -1.07 0.00 0.00 179.97 180.71 1ndk h GLY 110 N 1.05 0.98 1.65 0.04 0.00 -1.70 -1.55 103.07 103.55 1ndk h GLY 110 Ca 0.05 -0.46 -0.26 0.00 0.00 0.00 0.00 47.33 46.66 1ndk h GLY 110 CO 0.05 0.44 -1.15 -0.55 0.00 0.00 0.00 176.54 175.34 1ndk h ASP 111 N 0.91 0.40 0.00 0.19 3.32 -0.17 -3.42 116.42 117.66 1ndk h ASP 111 Ca 0.23 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1ndk h ASP 111 Cb 0.10 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1ndk h ASP 111 CO -0.03 1.28 -0.73 0.49 -1.72 0.00 0.00 179.24 178.54 1ndk n PHE 112 N -3.57 0.00 -4.25 4.55 3.72 -0.41 -5.07 117.46 112.44 1ndk n PHE 112 Ca -0.07 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.09 1ndk n PHE 112 Cb 0.97 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.43 1ndk n PHE 112 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1ndk s GLY 113 N -1.68 1.89 0.00 1.37 0.00 -0.59 -5.04 107.32 103.27 1ndk s GLY 113 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 42.90 1ndk s GLY 113 CO 0.00 -1.80 0.00 -0.62 0.00 0.00 0.00 173.10 170.68 1ndk n VAL 114 N -0.99 0.00 -5.00 1.40 0.31 -1.26 -4.40 118.33 108.38 1ndk n VAL 114 Ca -0.05 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.01 1ndk n VAL 114 Cb 0.61 -0.13 -0.16 0.00 -0.91 0.00 0.00 33.84 33.24 1ndk n VAL 114 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ndk s ASP 115 N -1.20 2.48 0.43 4.52 -1.08 -1.26 -4.37 116.67 116.19 1ndk s ASP 115 Ca 0.00 -0.40 0.15 0.00 -0.52 0.00 0.00 52.55 51.78 1ndk s ASP 115 Cb 0.00 -0.55 1.05 0.00 -1.46 0.00 0.00 42.92 41.96 1ndk s ASP 115 CO 0.00 0.21 1.95 0.58 0.52 0.00 0.00 175.17 178.43 1ndk h VAL 116 N 4.99 0.84 0.00 1.11 2.07 -1.96 -1.17 116.25 122.13 1ndk h VAL 116 Ca -0.35 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1ndk h VAL 116 Cb 1.16 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1ndk h VAL 116 CO 0.48 0.07 0.00 1.23 0.02 0.00 0.00 177.57 179.37 1ndk h GLY 117 N 0.40 0.00 -5.96 2.17 0.00 -1.94 -3.31 103.07 94.44 1ndk h GLY 117 Ca 0.33 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.09 1ndk h GLY 117 CO -0.10 0.00 -0.88 0.54 0.00 0.00 0.00 176.54 176.10 1ndk n ARG 118 N -2.35 1.74 -0.90 4.80 5.12 -0.45 -4.94 116.66 119.68 1ndk n ARG 118 Ca 0.05 -3.98 -0.06 0.00 -1.93 0.00 0.00 57.85 51.93 1ndk n ARG 118 Cb 0.42 -1.80 0.25 0.00 -1.16 0.00 0.00 32.46 30.18 1ndk n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1ndk n ASN 119 N 0.79 3.88 0.00 0.55 0.23 -1.14 -4.21 115.26 115.36 1ndk n ASN 119 Ca 0.26 -3.39 0.00 0.00 -0.53 0.00 0.00 54.58 50.92 1ndk n ASN 119 Cb 0.49 -0.70 0.00 0.00 -2.08 0.00 0.00 39.78 37.49 1ndk n ASN 119 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1ndk n ILE 120 N -0.64 0.00 -3.82 1.53 5.41 -1.26 -4.77 119.36 115.81 1ndk n ILE 120 Ca 0.39 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 64.01 1ndk n ILE 120 Cb 1.26 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 40.09 1ndk n ILE 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1ndk s ILE 121 N 0.00 0.05 0.08 1.39 2.07 -1.26 -0.70 121.20 122.83 1ndk s ILE 121 Ca 0.00 -0.41 0.08 0.00 -1.41 0.00 0.00 60.65 58.91 1ndk s ILE 121 Cb 0.00 -0.45 -0.03 0.00 0.13 0.00 0.00 42.46 42.11 1ndk s ILE 121 CO 0.00 -0.22 -0.20 0.00 -1.91 0.00 0.00 174.94 172.60 1ndk s GLY 123 N -1.70 0.71 0.55 0.00 0.00 -1.26 -1.10 107.32 104.52 1ndk s GLY 123 Ca 0.06 -1.25 -0.21 0.00 0.00 0.00 0.00 44.72 43.32 1ndk s GLY 123 CO 0.03 -1.35 1.20 1.44 0.00 0.00 0.00 173.10 174.43 1ndk n SER 124 N 0.20 1.95 -0.07 1.64 7.64 -0.43 -4.93 113.62 119.63 1ndk n SER 124 Ca -0.14 0.94 -0.13 0.00 1.01 0.00 0.00 58.87 60.55 1ndk n SER 124 Cb 0.60 -1.49 -0.06 0.00 -1.01 0.00 0.00 64.21 62.25 1ndk n SER 124 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1ndk h ASP 125 N 1.16 0.45 -5.25 6.43 3.32 -1.92 -3.47 116.42 117.14 1ndk h ASP 125 Ca -0.49 -0.43 -0.08 0.00 0.02 0.00 0.00 57.03 56.05 1ndk h ASP 125 Cb 1.33 -0.12 -0.10 0.00 0.22 0.00 0.00 39.33 40.65 1ndk h ASP 125 CO 0.55 0.78 -0.19 -0.94 -1.72 0.00 0.00 179.24 177.73 1ndk s SER 126 N -6.13 -0.06 0.45 6.45 1.04 -1.26 -4.94 113.70 109.25 1ndk s SER 126 Ca -0.14 -0.89 0.11 0.00 0.48 0.00 0.00 55.95 55.51 1ndk s SER 126 Cb 0.06 0.53 1.02 0.00 0.10 0.00 0.00 66.02 67.74 1ndk s SER 126 CO 0.76 -1.05 2.09 0.58 0.98 0.00 0.00 173.24 176.60 1ndk h VAL 127 N 2.34 1.07 0.06 5.02 2.07 -1.93 0.70 116.25 125.58 1ndk h VAL 127 Ca -0.28 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1ndk h VAL 127 Cb 1.25 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1ndk h VAL 127 CO 0.40 0.07 -0.03 -0.33 0.02 0.00 0.00 177.57 177.70 1ndk h GLU 128 N 0.31 -0.07 0.00 1.57 3.07 -1.97 -2.32 114.58 115.16 1ndk h GLU 128 Ca 0.08 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.88 1ndk h GLU 128 Cb -0.01 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 1ndk h GLU 128 CO -0.02 0.37 -0.31 0.66 -1.40 0.00 0.00 179.01 178.32 1ndk h SER 129 N -0.54 0.00 -0.35 1.42 4.64 -1.89 -3.01 113.55 113.82 1ndk h SER 129 Ca -0.01 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.33 1ndk h SER 129 Cb 0.48 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 1ndk h SER 129 CO 0.01 0.31 0.19 0.00 -0.87 0.00 0.00 176.83 176.47 1ndk h ALA 130 N 1.69 0.43 -0.89 5.18 0.00 -0.78 0.17 119.26 125.07 1ndk h ALA 130 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ndk h ALA 130 Cb 0.93 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1ndk h ALA 130 CO 0.04 -0.17 0.58 -0.91 0.00 0.00 0.00 179.25 178.79 1ndk h ASN 131 N 0.39 0.99 -0.15 0.00 2.35 -1.37 0.33 115.58 118.12 1ndk h ASN 131 Ca 0.14 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1ndk h ASN 131 Cb 0.03 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 1ndk h ASN 131 CO -0.08 0.69 -0.04 -0.09 -1.65 0.00 0.00 177.43 176.26 1ndk h ARG 132 N 1.16 0.29 -0.21 0.81 2.43 -1.37 -2.98 114.38 114.50 1ndk h ARG 132 Ca 0.34 -0.11 -0.12 0.00 -0.81 0.00 0.00 59.98 59.28 1ndk h ARG 132 Cb -0.06 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1ndk h ARG 132 CO -0.10 0.57 -0.37 0.93 -1.51 0.00 0.00 179.97 179.49 1ndk h GLU 133 N -0.02 0.46 -0.48 0.20 5.08 -0.14 -2.15 114.58 117.53 1ndk h GLU 133 Ca 0.04 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1ndk h GLU 133 Cb 0.47 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1ndk h GLU 133 CO 0.02 0.77 0.10 0.82 -1.00 0.00 0.00 179.01 179.71 1ndk h ILE 134 N 0.39 1.24 0.00 3.13 2.04 -1.00 -1.39 117.51 121.93 1ndk h ILE 134 Ca 0.04 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 64.97 1ndk h ILE 134 Cb 0.83 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1ndk h ILE 134 CO 0.07 0.31 -0.25 0.00 0.00 0.00 0.00 178.15 178.28 1ndk h ALA 135 N 0.97 1.19 0.26 1.87 0.00 -1.45 -0.67 119.26 121.44 1ndk h ALA 135 Ca 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ndk h ALA 135 Cb 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ndk h ALA 135 CO 0.01 0.32 -0.13 -0.07 0.00 0.00 0.00 179.25 179.38 1ndk h LEU 136 N 0.00 -0.30 0.00 0.00 3.38 -0.68 -3.38 115.31 114.33 1ndk h LEU 136 Ca -0.00 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.64 1ndk h LEU 136 Cb 0.61 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1ndk h LEU 136 CO 0.03 0.09 -1.17 -0.50 0.09 0.00 0.00 178.44 176.98 1ndk h TRP 137 N -0.73 0.00 -4.35 1.13 4.06 -1.08 -3.47 115.95 111.51 1ndk h TRP 137 Ca -0.04 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.31 1ndk h TRP 137 Cb 0.49 0.00 -0.28 0.00 -1.00 0.00 0.00 29.16 28.37 1ndk h TRP 137 CO 0.03 0.42 -0.85 -0.06 -3.56 0.00 0.00 178.44 174.42 1ndk s PHE 138 N -3.04 1.87 0.43 0.49 0.08 -0.27 -5.11 117.98 112.42 1ndk s PHE 138 Ca -0.01 -0.36 -0.18 0.00 0.12 0.00 0.00 56.93 56.50 1ndk s PHE 138 Cb 0.09 -1.17 -0.09 0.00 -0.57 0.00 0.00 43.02 41.27 1ndk s PHE 138 CO 0.79 0.01 0.90 0.15 -0.10 0.00 0.00 175.22 176.98 1ndk s LYS 139 N -0.73 4.08 0.53 0.44 1.02 -1.26 -4.48 119.74 119.34 1ndk s LYS 139 Ca 0.08 0.94 0.21 0.00 0.02 0.00 0.00 55.97 57.22 1ndk s LYS 139 Cb -0.08 -2.23 1.38 0.00 -0.52 0.00 0.00 37.83 36.37 1ndk s LYS 139 CO 0.00 -0.05 2.10 -1.35 -0.92 0.00 0.00 175.35 175.13 1ndk h PRO 140 N 1.68 0.00 0.00 -1.68 0.11 -1.95 0.18 132.00 130.35 1ndk h PRO 140 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ndk h PRO 140 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ndk h PRO 140 CO 0.62 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.56 1ndk n GLU 141 N -4.38 0.05 0.00 1.05 0.00 -1.26 -2.75 120.64 113.36 1ndk n GLU 141 Ca 0.02 0.06 0.14 0.00 0.00 0.00 0.00 57.16 57.38 1ndk n GLU 141 Cb 0.29 -1.56 0.54 0.00 0.00 0.00 0.00 31.44 30.70 1ndk n GLU 141 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1ndk n GLU 142 N -1.65 1.47 -4.51 3.44 1.02 0.65 -4.90 120.64 116.15 1ndk n GLU 142 Ca 0.06 -0.81 -0.32 0.00 -0.02 0.00 0.00 57.16 56.08 1ndk n GLU 142 Cb 0.35 -1.48 -0.11 0.00 -0.02 0.00 0.00 31.44 30.17 1ndk n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ndk s LEU 143 N -2.08 3.05 0.26 -4.62 1.43 -1.11 -4.58 118.68 111.03 1ndk s LEU 143 Ca 0.37 -0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 52.97 1ndk s LEU 143 Cb 0.21 -1.75 -0.09 0.00 0.03 0.00 0.00 46.19 44.58 1ndk s LEU 143 CO 0.37 0.28 1.20 -0.22 0.23 0.00 0.00 176.35 178.21 1ndk s LEU 144 N -1.40 4.48 -0.23 1.79 2.96 0.50 -4.97 118.68 121.81 1ndk s LEU 144 Ca 0.16 2.39 -0.17 0.00 -0.22 0.00 0.00 54.13 56.29 1ndk s LEU 144 Cb -0.11 -3.63 -0.13 0.00 0.50 0.00 0.00 46.19 42.82 1ndk s LEU 144 CO 0.07 -0.35 -0.10 0.35 -1.32 0.00 0.00 176.35 175.00 1ndk n THR 145 N 1.59 1.52 -3.42 3.68 -2.24 -1.26 -4.86 114.28 109.29 1ndk n THR 145 Ca 0.01 -0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 1ndk n THR 145 Cb 0.44 -2.05 -0.10 0.00 -2.10 0.00 0.00 70.33 66.52 1ndk n THR 145 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ndk s GLU 146 N -2.46 3.33 -0.17 -0.78 0.41 -1.26 -5.06 118.70 112.72 1ndk s GLU 146 Ca -0.31 -0.65 -0.05 0.00 -0.41 0.00 0.00 54.97 53.55 1ndk s GLU 146 Cb 0.09 -3.88 -0.03 0.00 -1.78 0.00 0.00 34.13 28.53 1ndk s GLU 146 CO 0.50 -0.63 -0.01 0.08 -0.49 0.00 0.00 175.26 174.71 1ndk s VAL 147 N 1.93 4.10 -0.32 2.63 1.01 -1.26 -5.08 120.40 123.42 1ndk s VAL 147 Ca 0.10 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1ndk s VAL 147 Cb -0.17 -2.82 0.08 0.00 0.00 0.00 0.00 36.38 33.47 1ndk s VAL 147 CO 0.12 0.48 0.01 -0.54 0.00 0.00 0.00 175.10 175.16 1ndk s LYS 148 N 0.42 1.90 0.71 2.72 1.02 -1.26 -5.12 119.74 120.13 1ndk s LYS 148 Ca -0.02 -1.62 -0.11 0.00 0.02 0.00 0.00 55.97 54.24 1ndk s LYS 148 Cb -0.14 -3.14 0.02 0.00 -0.52 0.00 0.00 37.83 34.05 1ndk s LYS 148 CO 0.02 -0.79 1.07 -1.25 -0.92 0.00 0.00 175.35 173.48 1ndk s PRO 149 N 1.03 2.83 0.17 -1.68 0.05 -1.26 -5.00 135.00 131.15 1ndk s PRO 149 Ca 0.02 0.88 -0.33 0.00 0.05 0.00 0.00 61.00 61.62 1ndk s PRO 149 Cb -0.20 -1.98 -0.14 0.00 0.05 0.00 0.00 34.50 32.23 1ndk s PRO 149 CO -0.06 -1.15 1.56 -1.71 0.05 0.00 0.00 177.00 175.69 1ndk n ASN 150 N -3.16 3.08 0.15 6.66 2.85 -1.26 -4.83 115.26 118.74 1ndk n ASN 150 Ca 0.07 1.09 0.12 0.00 -0.11 0.00 0.00 54.58 55.75 1ndk n ASN 150 Cb 0.54 -1.43 0.54 0.00 1.24 0.00 0.00 39.78 40.67 1ndk n ASN 150 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1ndk n PRO 151 N 3.25 0.18 -0.11 1.20 -0.04 -1.26 -2.15 135.00 136.07 1ndk n PRO 151 Ca 0.16 0.51 0.09 0.00 -0.04 0.00 0.00 63.50 64.22 1ndk n PRO 151 Cb 0.29 -1.92 0.32 0.00 -0.04 0.00 0.00 33.50 32.16 1ndk n PRO 151 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ndk n ASN 152 N -2.27 1.78 -0.07 3.54 3.02 -1.26 -4.20 115.26 115.80 1ndk n ASN 152 Ca 0.01 -1.78 -0.17 0.00 -0.03 0.00 0.00 54.58 52.61 1ndk n ASN 152 Cb 0.16 -0.14 -0.13 0.00 -0.61 0.00 0.00 39.78 39.05 1ndk n ASN 152 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ndk n LEU 153 N 0.41 2.14 -4.24 3.41 4.77 -0.92 -4.93 117.00 117.64 1ndk n LEU 153 Ca 0.15 0.06 -0.32 0.00 -0.03 0.00 0.00 56.01 55.87 1ndk n LEU 153 Cb 0.33 -0.62 -0.16 0.00 -2.33 0.00 0.00 43.42 40.64 1ndk n LEU 153 CO 0.12 0.78 -0.53 -0.31 -1.33 0.00 0.00 177.39 176.12 1ndk s TYR 154 N -2.54 2.65 -2.00 -1.77 2.02 -1.26 -5.14 117.35 109.32 1ndk s TYR 154 Ca -0.23 -1.05 0.14 0.00 -0.37 0.00 0.00 57.07 55.56 1ndk s TYR 154 Cb 0.08 -1.77 0.85 0.00 -0.40 0.00 0.00 41.96 40.71 1ndk s TYR 154 CO 0.72 -0.43 1.27 -1.91 -1.57 0.00 0.00 175.55 173.62