#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j27 s LYS 2 N 0.00 1.63 -0.16 3.17 1.02 -1.26 -1.64 119.74 122.49 1j27 s LYS 2 Ca 0.00 -1.27 -0.11 0.00 0.02 0.00 0.00 55.97 54.61 1j27 s LYS 2 Cb 0.00 -2.02 -0.05 0.00 -0.52 0.00 0.00 37.83 35.25 1j27 s LYS 2 CO 0.00 0.46 0.21 0.00 -0.92 0.00 0.00 175.35 175.10 1j27 s ALA 3 N -1.16 3.68 -0.13 5.17 0.00 0.78 -4.75 121.76 125.36 1j27 s ALA 3 Ca 0.17 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 1j27 s ALA 3 Cb -0.10 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 1j27 s ALA 3 CO 0.09 0.22 -0.05 0.71 0.00 0.00 0.00 175.76 176.73 1j27 s TYR 4 N 0.11 3.00 -0.11 0.00 1.51 -0.23 -0.42 117.35 121.21 1j27 s TYR 4 Ca 0.13 -0.22 0.02 0.00 -1.01 0.00 0.00 57.07 55.99 1j27 s TYR 4 Cb -0.12 -1.89 -0.01 0.00 -0.11 0.00 0.00 41.96 39.83 1j27 s TYR 4 CO 0.02 0.06 -0.18 -0.51 -1.11 0.00 0.00 175.55 173.84 1j27 s LEU 5 N 0.03 2.46 -0.12 -1.29 1.43 0.37 -1.56 118.68 120.00 1j27 s LEU 5 Ca -0.00 -0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 52.61 1j27 s LEU 5 Cb -0.13 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 1j27 s LEU 5 CO 0.03 0.17 0.16 -0.83 0.23 0.00 0.00 176.35 176.11 1j27 s GLY 6 N 0.28 2.17 -0.13 -3.19 0.00 -0.27 -0.71 107.32 105.47 1j27 s GLY 6 Ca -0.13 -0.62 -0.01 0.00 0.00 0.00 0.00 44.72 43.97 1j27 s GLY 6 CO 0.07 -0.33 -0.05 -2.27 0.00 0.00 0.00 173.10 170.52 1j27 s LEU 7 N -0.98 1.21 -0.12 0.66 2.96 -0.01 -2.14 118.68 120.27 1j27 s LEU 7 Ca 0.15 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 1j27 s LEU 7 Cb -0.12 -0.78 -0.03 0.00 0.50 0.00 0.00 46.19 45.76 1j27 s LEU 7 CO 0.04 -0.16 -0.06 -0.47 -1.32 0.00 0.00 176.35 174.38 1j27 s TYR 8 N 1.74 2.96 0.06 5.38 5.04 -0.24 -1.14 117.35 131.15 1j27 s TYR 8 Ca 0.03 -0.24 0.04 0.00 -2.44 0.00 0.00 57.07 54.46 1j27 s TYR 8 Cb -0.14 -1.85 -0.03 0.00 0.35 0.00 0.00 41.96 40.30 1j27 s TYR 8 CO -0.08 0.07 -0.11 0.95 -1.34 0.00 0.00 175.55 175.05 1j27 s THR 9 N -0.07 0.84 0.03 4.34 -4.23 -0.45 -1.04 115.64 115.06 1j27 s THR 9 Ca 0.01 -1.24 -0.17 0.00 -1.18 0.00 0.00 61.69 59.10 1j27 s THR 9 Cb -0.13 -0.89 0.03 0.00 1.34 0.00 0.00 72.50 72.85 1j27 s THR 9 CO 0.03 -0.33 0.39 0.00 -0.54 0.00 0.00 174.62 174.17 1j27 s ALA 10 N -1.44 -0.95 -0.28 3.99 0.00 -0.26 -0.71 121.76 122.10 1j27 s ALA 10 Ca -0.05 0.31 -0.12 0.00 0.00 0.00 0.00 51.96 52.10 1j27 s ALA 10 Cb -0.09 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1j27 s ALA 10 CO 0.01 -0.41 0.26 0.50 0.00 0.00 0.00 175.76 176.12 1j27 s ARG 11 N -2.25 3.96 0.02 0.00 3.52 0.13 -1.44 118.95 122.89 1j27 s ARG 11 Ca -0.07 -0.20 -0.07 0.00 -0.13 0.00 0.00 55.73 55.26 1j27 s ARG 11 Cb -0.01 -3.66 -0.05 0.00 -1.56 0.00 0.00 34.95 29.66 1j27 s ARG 11 CO -0.01 -0.23 0.29 -0.51 -0.81 0.00 0.00 175.30 174.03 1j27 s LEU 12 N 1.87 4.36 -0.12 -0.88 1.43 0.31 -0.30 118.68 125.36 1j27 s LEU 12 Ca 0.10 0.58 0.02 0.00 -1.03 0.00 0.00 54.13 53.80 1j27 s LEU 12 Cb -0.16 -2.74 -0.00 0.00 0.03 0.00 0.00 46.19 43.32 1j27 s LEU 12 CO 0.11 0.23 -0.20 -1.61 0.23 0.00 0.00 176.35 175.11 1j27 s GLU 13 N -1.83 3.15 -0.07 1.70 2.02 0.05 -1.46 118.70 122.26 1j27 s GLU 13 Ca 0.29 -0.81 0.03 0.00 0.02 0.00 0.00 54.97 54.50 1j27 s GLU 13 Cb -0.13 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.66 1j27 s GLU 13 CO 0.17 0.14 -0.18 0.95 0.02 0.00 0.00 175.26 176.36 1j27 s THR 14 N 0.48 1.54 -1.62 3.63 -4.23 0.12 -1.47 115.64 114.09 1j27 s THR 14 Ca -0.13 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 1j27 s THR 14 Cb -0.17 -1.35 0.00 0.00 1.34 0.00 0.00 72.50 72.32 1j27 s THR 14 CO 0.05 0.44 0.44 -0.81 -0.54 0.00 0.00 174.62 174.21 1j27 n PRO 15 N 3.51 0.54 -1.38 3.99 -0.04 -1.26 -4.08 135.00 136.28 1j27 n PRO 15 Ca -0.20 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.94 1j27 n PRO 15 Cb 0.52 -1.10 0.08 0.00 -0.04 0.00 0.00 33.50 32.96 1j27 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j27 s ALA 16 N -1.62 2.32 -0.01 0.55 0.00 -1.26 -4.97 121.76 116.76 1j27 s ALA 16 Ca 0.00 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.29 1j27 s ALA 16 Cb 0.00 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.87 1j27 s ALA 16 CO 0.00 -1.63 0.85 0.54 0.00 0.00 0.00 175.76 175.51 1j27 n ARG 17 N -3.26 1.68 -3.69 0.00 5.12 -1.26 -4.34 116.66 110.90 1j27 n ARG 17 Ca 0.09 -1.23 -0.11 0.00 -1.93 0.00 0.00 57.85 54.67 1j27 n ARG 17 Cb 0.53 -0.85 -0.06 0.00 -1.16 0.00 0.00 32.46 30.92 1j27 n ARG 17 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1j27 s SER 18 N -0.83 -0.18 0.31 0.55 1.04 -1.26 -5.02 113.70 108.31 1j27 s SER 18 Ca 0.03 -0.28 0.05 0.00 0.48 0.00 0.00 55.95 56.23 1j27 s SER 18 Cb 0.02 0.43 0.50 0.00 0.10 0.00 0.00 66.02 67.07 1j27 s SER 18 CO 0.00 -0.76 1.75 -0.07 0.98 0.00 0.00 173.24 175.15 1j27 h LEU 19 N 2.68 0.36 -0.44 2.42 3.38 -1.95 -1.32 115.31 120.43 1j27 h LEU 19 Ca -0.33 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.36 1j27 h LEU 19 Cb 1.23 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1j27 h LEU 19 CO 0.47 0.63 -0.45 0.11 0.09 0.00 0.00 178.44 179.30 1j27 h LYS 20 N 0.31 0.81 -0.56 1.13 1.57 -1.99 -1.06 116.57 116.78 1j27 h LYS 20 Ca 0.05 -0.45 -0.07 0.00 -1.87 0.00 0.00 60.65 58.31 1j27 h LYS 20 Cb 0.65 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1j27 h LYS 20 CO 0.05 1.09 0.09 1.49 -0.57 0.00 0.00 179.45 181.59 1j27 h GLU 21 N 0.65 0.92 -0.47 3.15 4.81 -1.92 -2.23 114.58 119.49 1j27 h GLU 21 Ca 0.04 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1j27 h GLU 21 Cb 1.02 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 1j27 h GLU 21 CO 0.10 0.89 0.27 -0.22 -0.73 0.00 0.00 179.01 179.32 1j27 h LYS 22 N 0.82 0.66 -0.89 1.92 3.64 -1.12 -2.38 116.57 119.21 1j27 h LYS 22 Ca 0.17 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1j27 h LYS 22 Cb 0.41 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 1j27 h LYS 22 CO 0.01 0.51 0.59 -0.09 -2.27 0.00 0.00 179.45 178.20 1j27 h ARG 23 N 0.63 1.18 0.00 1.90 2.43 -1.04 -1.21 114.38 118.27 1j27 h ARG 23 Ca 0.17 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1j27 h ARG 23 Cb 0.04 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.32 1j27 h ARG 23 CO -0.03 0.78 -0.14 0.00 -1.51 0.00 0.00 179.97 179.07 1j27 h ALA 24 N 1.44 1.57 0.22 2.80 0.00 -0.97 0.51 119.26 124.83 1j27 h ALA 24 Ca 0.33 -0.13 -0.33 0.00 0.00 0.00 0.00 54.91 54.78 1j27 h ALA 24 Cb -0.14 -0.02 0.04 0.00 0.00 0.00 0.00 17.79 17.67 1j27 h ALA 24 CO -0.07 0.17 -1.42 -0.07 0.00 0.00 0.00 179.25 177.86 1j27 h LEU 25 N 0.00 0.86 0.03 0.00 3.38 -0.79 -3.40 115.31 115.39 1j27 h LEU 25 Ca -0.00 -0.90 -0.23 0.00 0.09 0.00 0.00 57.88 56.84 1j27 h LEU 25 Cb 0.28 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1j27 h LEU 25 CO 0.02 1.69 -1.27 0.40 0.09 0.00 0.00 178.44 179.37 1j27 h ILE 26 N 0.18 0.96 -0.31 1.22 2.04 -0.93 -3.38 117.51 117.28 1j27 h ILE 26 Ca -0.24 -2.23 0.03 0.00 1.00 0.00 0.00 64.86 63.41 1j27 h ILE 26 Cb 2.11 2.39 -0.03 0.00 -0.74 0.00 0.00 36.82 40.55 1j27 h ILE 26 CO 0.27 0.44 0.13 0.50 0.00 0.00 0.00 178.15 179.49 1j27 h LYS 27 N -0.81 0.28 -0.31 2.37 3.64 -1.14 -1.69 116.57 118.90 1j27 h LYS 27 Ca -0.33 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 1j27 h LYS 27 Cb 1.41 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.15 1j27 h LYS 27 CO -0.13 0.18 0.16 -1.35 -2.27 0.00 0.00 179.45 176.04 1j27 h PRO 28 N 0.28 0.42 -0.34 1.90 0.11 -1.76 0.12 132.00 132.72 1j27 h PRO 28 Ca 0.13 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.10 1j27 h PRO 28 Cb 0.07 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 1j27 h PRO 28 CO -0.11 0.32 -0.21 0.00 -0.21 0.00 0.00 178.00 177.78 1j27 h ALA 29 N 1.75 0.49 -0.23 -0.75 0.00 -1.59 -0.54 119.26 118.40 1j27 h ALA 29 Ca 0.11 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1j27 h ALA 29 Cb 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1j27 h ALA 29 CO -0.02 0.45 -0.21 -0.07 0.00 0.00 0.00 179.25 179.40 1j27 h LEU 30 N 0.53 0.41 -0.53 0.00 3.38 -0.65 0.30 115.31 118.75 1j27 h LEU 30 Ca 0.07 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 1j27 h LEU 30 Cb 0.77 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1j27 h LEU 30 CO 0.06 0.63 -0.22 -0.33 0.09 0.00 0.00 178.44 178.67 1j27 h GLU 31 N 0.37 0.96 -0.75 1.13 4.39 -0.55 -1.36 114.58 118.78 1j27 h GLU 31 Ca 0.06 -0.41 -0.06 0.00 0.34 0.00 0.00 59.36 59.30 1j27 h GLU 31 Cb 0.59 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 1j27 h GLU 31 CO 0.04 1.07 0.24 0.00 -1.16 0.00 0.00 179.01 179.20 1j27 h ARG 32 N 0.83 1.16 -0.41 2.33 3.08 -0.68 -1.79 114.38 118.89 1j27 h ARG 32 Ca 0.11 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1j27 h ARG 32 Cb 0.79 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1j27 h ARG 32 CO 0.07 0.98 0.26 1.25 -1.07 0.00 0.00 179.97 181.45 1j27 h LEU 33 N 1.11 0.48 -1.14 3.04 5.85 -0.63 -2.18 115.31 121.84 1j27 h LEU 33 Ca 0.24 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 1j27 h LEU 33 Cb 0.30 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1j27 h LEU 33 CO -0.01 0.38 0.03 0.11 -0.34 0.00 0.00 178.44 178.61 1j27 h LYS 34 N 0.55 0.63 0.00 1.25 1.57 -1.01 -0.76 116.57 118.80 1j27 h LYS 34 Ca 0.15 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 1j27 h LYS 34 Cb -0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1j27 h LYS 34 CO -0.03 0.63 -0.60 0.00 -0.57 0.00 0.00 179.45 178.88 1j27 h ALA 35 N 1.43 0.98 0.00 3.86 0.00 -0.97 -3.32 119.26 121.25 1j27 h ALA 35 Ca 0.13 -0.55 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1j27 h ALA 35 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1j27 h ALA 35 CO 0.01 0.75 -1.71 0.54 0.00 0.00 0.00 179.25 178.84 1j27 n ARG 36 N -3.79 0.64 -4.11 0.00 5.12 -0.85 -4.97 116.66 108.70 1j27 n ARG 36 Ca -0.01 -0.02 -0.15 0.00 -1.93 0.00 0.00 57.85 55.74 1j27 n ARG 36 Cb 0.61 -1.64 -0.12 0.00 -1.16 0.00 0.00 32.46 30.15 1j27 n ARG 36 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1j27 s PHE 37 N -3.25 0.88 -1.59 -1.55 0.40 -0.31 -5.06 117.98 107.51 1j27 s PHE 37 Ca -0.06 -0.51 -0.10 0.00 -0.60 0.00 0.00 56.93 55.67 1j27 s PHE 37 Cb 0.11 -0.51 -0.09 0.00 0.51 0.00 0.00 43.02 43.04 1j27 s PHE 37 CO 0.85 -0.03 2.91 -0.35 0.70 0.00 0.00 175.22 179.31 1j27 n PRO 38 N 1.31 3.61 -4.43 0.24 -0.04 -1.26 -4.44 135.00 130.00 1j27 n PRO 38 Ca -0.22 -2.17 -0.23 0.00 -0.04 0.00 0.00 63.50 60.84 1j27 n PRO 38 Cb 0.55 -2.79 -0.10 0.00 -0.04 0.00 0.00 33.50 31.11 1j27 n PRO 38 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1j27 s VAL 39 N 2.25 2.26 -0.26 0.52 -7.23 -1.26 -4.63 120.40 112.04 1j27 s VAL 39 Ca 0.68 -2.27 -0.09 0.00 -1.81 0.00 0.00 61.98 58.49 1j27 s VAL 39 Cb 0.18 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 1j27 s VAL 39 CO -0.06 -0.39 0.13 -0.55 -0.31 0.00 0.00 175.10 173.92 1j27 s SER 40 N -3.26 5.58 0.14 4.85 0.15 -0.28 -4.82 113.70 116.06 1j27 s SER 40 Ca 0.26 -0.10 0.07 0.00 0.70 0.00 0.00 55.95 56.88 1j27 s SER 40 Cb -0.05 -2.02 -0.04 0.00 -1.71 0.00 0.00 66.02 62.20 1j27 s SER 40 CO 0.12 -0.03 -0.05 0.00 1.20 0.00 0.00 173.24 174.47 1j27 s ALA 41 N 1.62 3.08 -0.04 5.45 0.00 -1.26 -0.88 121.76 129.73 1j27 s ALA 41 Ca 0.07 -1.30 -0.13 0.00 0.00 0.00 0.00 51.96 50.60 1j27 s ALA 41 Cb -0.15 -0.94 0.02 0.00 0.00 0.00 0.00 23.12 22.04 1j27 s ALA 41 CO 0.07 0.57 0.29 0.00 0.00 0.00 0.00 175.76 176.69 1j27 s ALA 42 N -1.47 -0.72 -0.27 0.00 0.00 0.03 -4.98 121.76 114.34 1j27 s ALA 42 Ca 0.24 0.43 -0.17 0.00 0.00 0.00 0.00 51.96 52.46 1j27 s ALA 42 Cb -0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 1j27 s ALA 42 CO 0.16 -0.22 0.46 1.03 0.00 0.00 0.00 175.76 177.20 1j27 s ARG 43 N -0.88 4.01 -0.17 0.00 0.52 -1.26 -1.22 118.95 119.94 1j27 s ARG 43 Ca -0.10 0.17 -0.17 0.00 -0.52 0.00 0.00 55.73 55.12 1j27 s ARG 43 Cb -0.05 -3.67 -0.06 0.00 0.52 0.00 0.00 34.95 31.69 1j27 s ARG 43 CO 0.03 -0.35 -0.33 1.28 0.02 0.00 0.00 175.30 175.95 1j27 n LEU 44 N 5.48 1.89 -4.14 2.53 4.77 0.34 -5.00 117.00 122.87 1j27 n LEU 44 Ca -0.06 0.32 -0.10 0.00 -0.03 0.00 0.00 56.01 56.14 1j27 n LEU 44 Cb 0.50 -0.72 -0.09 0.00 -2.33 0.00 0.00 43.42 40.77 1j27 n LEU 44 CO 0.40 -0.23 -0.22 -0.31 -1.33 0.00 0.00 177.39 175.70 1j27 s TYR 45 N -2.82 0.88 -0.07 -1.77 1.51 -0.82 -4.79 117.35 109.46 1j27 s TYR 45 Ca -0.28 -1.20 0.00 0.00 -1.01 0.00 0.00 57.07 54.58 1j27 s TYR 45 Cb 0.05 -0.42 0.00 0.00 -0.11 0.00 0.00 41.96 41.47 1j27 s TYR 45 CO 0.41 -0.60 0.00 0.41 -1.11 0.00 0.00 175.55 174.65 1j27 n GLY 46 N -0.18 0.41 0.00 0.71 0.00 -1.26 -0.62 105.19 104.25 1j27 n GLY 46 Ca -0.03 -1.01 0.11 0.00 0.00 0.00 0.00 46.02 45.09 1j27 n GLY 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j27 n LEU 47 N -0.09 0.00 -0.48 0.99 4.77 -1.26 -1.92 117.00 119.02 1j27 n LEU 47 Ca -0.01 0.43 0.13 0.00 -0.03 0.00 0.00 56.01 56.53 1j27 n LEU 47 Cb 0.15 -0.43 0.42 0.00 -2.33 0.00 0.00 43.42 41.23 1j27 n LEU 47 CO 0.01 -0.09 0.76 -0.90 -1.33 0.00 0.00 177.39 175.84 1j27 n ASP 48 N -1.43 1.58 -4.75 -1.43 5.75 -1.26 -4.95 116.55 110.06 1j27 n ASP 48 Ca 0.08 -1.40 -0.26 0.00 -0.01 0.00 0.00 54.79 53.19 1j27 n ASP 48 Cb 0.24 0.05 -0.06 0.00 -1.03 0.00 0.00 41.12 40.33 1j27 n ASP 48 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1j27 s ALA 49 N -2.15 3.44 -0.11 2.12 0.00 -0.81 -5.04 121.76 119.21 1j27 s ALA 49 Ca 0.33 -1.30 0.04 0.00 0.00 0.00 0.00 51.96 51.03 1j27 s ALA 49 Cb 0.20 -1.22 -0.24 0.00 0.00 0.00 0.00 23.12 21.86 1j27 s ALA 49 CO 0.39 0.46 0.41 0.91 0.00 0.00 0.00 175.76 177.93 1j27 n TRP 50 N -0.38 0.93 1.01 0.00 8.01 -1.26 -4.66 117.44 121.08 1j27 n TRP 50 Ca -0.09 0.26 0.12 0.00 -1.31 0.00 0.00 57.50 56.48 1j27 n TRP 50 Cb 0.55 -1.14 0.05 0.00 -2.01 0.00 0.00 31.31 28.76 1j27 n TRP 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1j27 n GLY 51 N 1.82 0.45 3.32 6.99 0.00 -1.26 -4.22 105.19 112.30 1j27 n GLY 51 Ca -0.27 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 1j27 n GLY 51 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1j27 s TYR 52 N -2.26 -0.24 -0.09 1.61 -0.85 -1.26 -0.70 117.35 113.55 1j27 s TYR 52 Ca 0.23 0.04 -0.30 0.00 -0.52 0.00 0.00 57.07 56.52 1j27 s TYR 52 Cb 0.19 0.26 0.08 0.00 0.38 0.00 0.00 41.96 42.87 1j27 s TYR 52 CO 0.45 -0.66 0.75 -2.00 -1.52 0.00 0.00 175.55 172.57 1j27 s GLU 53 N -3.29 0.95 -0.23 -3.49 2.12 -0.54 -4.70 118.70 109.52 1j27 s GLU 53 Ca -0.00 0.29 -0.07 0.00 0.36 0.00 0.00 54.97 55.55 1j27 s GLU 53 Cb 0.01 0.45 -0.03 0.00 0.26 0.00 0.00 34.13 34.82 1j27 s GLU 53 CO -0.08 -0.28 0.05 0.08 -0.54 0.00 0.00 175.26 174.48 1j27 s VAL 54 N -1.05 4.29 0.43 3.70 1.01 0.21 -0.53 120.40 128.47 1j27 s VAL 54 Ca -0.08 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.75 1j27 s VAL 54 Cb -0.00 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 1j27 s VAL 54 CO 0.08 0.38 0.03 0.68 0.00 0.00 0.00 175.10 176.27 1j27 s VAL 55 N 1.25 1.38 0.21 2.92 -7.23 -0.52 -0.50 120.40 117.91 1j27 s VAL 55 Ca 0.04 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 57.99 1j27 s VAL 55 Cb -0.15 -2.59 0.07 0.00 0.56 0.00 0.00 36.38 34.27 1j27 s VAL 55 CO 0.03 0.00 0.96 -0.83 -0.31 0.00 0.00 175.10 174.94 1j27 s GLY 56 N -3.71 0.02 0.10 2.32 0.00 -0.36 -1.11 107.32 104.58 1j27 s GLY 56 Ca 0.24 -0.23 -0.13 0.00 0.00 0.00 0.00 44.72 44.60 1j27 s GLY 56 CO 0.12 0.97 0.31 -0.11 0.00 0.00 0.00 173.10 174.39 1j27 s PHE 57 N -2.69 -0.06 0.09 1.90 -0.12 -0.21 -0.79 117.98 116.11 1j27 s PHE 57 Ca 0.17 -0.28 0.01 0.00 -0.05 0.00 0.00 56.93 56.77 1j27 s PHE 57 Cb -0.03 0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.44 1j27 s PHE 57 CO 0.05 -0.62 -0.03 -0.08 -0.05 0.00 0.00 175.22 174.49 1j27 s THR 58 N -3.69 0.48 0.10 -4.49 -1.32 -0.06 -1.08 115.64 105.58 1j27 s THR 58 Ca 0.03 -1.90 -0.16 0.00 -1.21 0.00 0.00 61.69 58.45 1j27 s THR 58 Cb 0.03 -1.72 0.03 0.00 -1.51 0.00 0.00 72.50 69.33 1j27 s THR 58 CO -0.11 -0.83 0.38 -1.48 -2.21 0.00 0.00 174.62 170.37 1j27 s LEU 59 N -3.02 0.52 0.04 9.08 2.34 -0.91 -1.12 118.68 125.61 1j27 s LEU 59 Ca 0.13 -0.25 0.07 0.00 0.06 0.00 0.00 54.13 54.14 1j27 s LEU 59 Cb 0.06 1.71 -0.02 0.00 -0.56 0.00 0.00 46.19 47.38 1j27 s LEU 59 CO -0.05 -0.78 -0.21 -0.22 -1.06 0.00 0.00 176.35 174.04 1j27 s LEU 60 N -2.55 2.16 0.27 1.48 0.20 -1.26 -1.12 118.68 117.86 1j27 s LEU 60 Ca 0.00 -0.52 -0.21 0.00 0.69 0.00 0.00 54.13 54.10 1j27 s LEU 60 Cb 0.01 -0.99 0.05 0.00 -0.43 0.00 0.00 46.19 44.83 1j27 s LEU 60 CO -0.09 0.17 0.85 -0.83 -0.29 0.00 0.00 176.35 176.16 1j27 s GLY 61 N -1.14 0.05 0.00 7.98 0.00 -0.60 -5.00 107.32 108.60 1j27 s GLY 61 Ca 0.08 -0.35 0.22 0.00 0.00 0.00 0.00 44.72 44.67 1j27 s GLY 61 CO 0.02 0.31 1.39 1.16 0.00 0.00 0.00 173.10 175.97 1j27 n ASN 62 N -0.89 3.45 -3.73 1.64 2.04 -1.26 -1.07 115.26 115.44 1j27 n ASN 62 Ca -0.06 -1.98 -0.28 0.00 -0.44 0.00 0.00 54.58 51.83 1j27 n ASN 62 Cb 0.60 -0.26 -0.16 0.00 -2.53 0.00 0.00 39.78 37.42 1j27 n ASN 62 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1j27 s ASP 63 N -1.41 2.91 0.49 0.53 -1.08 -1.26 -4.91 116.67 111.94 1j27 s ASP 63 Ca 0.38 -0.82 0.14 0.00 -0.52 0.00 0.00 52.55 51.73 1j27 s ASP 63 Cb 0.22 -0.59 1.18 0.00 -1.46 0.00 0.00 42.92 42.27 1j27 s ASP 63 CO 0.31 -0.31 2.12 1.55 0.52 0.00 0.00 175.17 179.36 1j27 h PRO 64 N 8.25 0.10 -0.33 4.34 0.13 -1.95 -0.72 132.00 141.81 1j27 h PRO 64 Ca -0.16 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.79 1j27 h PRO 64 Cb 1.12 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1j27 h PRO 64 CO 0.34 0.08 -0.49 0.00 -0.23 0.00 0.00 178.00 177.70 1j27 h ALA 65 N 1.94 0.51 -0.22 -0.56 0.00 -1.99 -1.12 119.26 117.81 1j27 h ALA 65 Ca 0.03 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1j27 h ALA 65 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1j27 h ALA 65 CO -0.00 0.68 -0.10 2.35 0.00 0.00 0.00 179.25 182.18 1j27 h TRP 66 N 0.71 0.52 -0.42 0.00 7.01 -1.85 -0.10 115.95 121.82 1j27 h TRP 66 Ca 0.03 -0.13 0.05 0.00 2.11 0.00 0.00 58.89 60.96 1j27 h TRP 66 Cb 1.09 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 27.98 1j27 h TRP 66 CO 0.07 0.73 0.14 0.28 -2.79 0.00 0.00 178.44 176.87 1j27 h VAL 67 N 0.17 0.86 -0.44 2.65 2.07 -1.12 -0.41 116.25 120.02 1j27 h VAL 67 Ca 0.05 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 1j27 h VAL 67 Cb 0.58 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1j27 h VAL 67 CO 0.03 0.06 -0.09 -0.08 0.02 0.00 0.00 177.57 177.50 1j27 h GLU 68 N 0.30 0.84 -0.65 1.57 4.81 -1.12 -0.54 114.58 119.79 1j27 h GLU 68 Ca 0.20 -0.31 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 1j27 h GLU 68 Cb 0.19 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1j27 h GLU 68 CO -0.21 0.94 0.11 1.49 -0.73 0.00 0.00 179.01 180.61 1j27 h GLU 69 N 0.67 1.07 -0.42 1.92 4.81 -0.79 0.77 114.58 122.61 1j27 h GLU 69 Ca 0.11 -0.28 -0.07 0.00 -0.13 0.00 0.00 59.36 58.99 1j27 h GLU 69 Cb 0.63 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1j27 h GLU 69 CO 0.04 0.98 -0.02 1.15 -0.73 0.00 0.00 179.01 180.44 1j27 h THR 70 N 0.98 1.26 -0.65 0.32 2.02 -1.01 -0.47 112.91 115.36 1j27 h THR 70 Ca 0.20 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 1j27 h THR 70 Cb 0.43 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1j27 h THR 70 CO 0.01 0.36 0.38 -0.03 0.37 0.00 0.00 175.52 176.61 1j27 h MET 71 N 0.58 0.89 -0.13 6.66 1.85 -0.74 0.43 114.93 124.47 1j27 h MET 71 Ca 0.12 -0.09 -0.11 0.00 -0.61 0.00 0.00 59.70 59.01 1j27 h MET 71 Cb 0.51 -0.18 -0.01 0.00 0.43 0.00 0.00 31.60 32.34 1j27 h MET 71 CO 0.02 0.65 -0.39 0.00 -0.40 0.00 0.00 176.91 176.79 1j27 h ARG 72 N 0.88 0.27 -0.38 0.39 3.08 -0.58 -0.74 114.38 117.31 1j27 h ARG 72 Ca 0.23 -0.13 -0.14 0.00 0.07 0.00 0.00 59.98 60.02 1j27 h ARG 72 Cb 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1j27 h ARG 72 CO -0.04 0.63 -0.31 0.00 -1.07 0.00 0.00 179.97 179.18 1j27 h ALA 73 N 1.36 0.73 -0.36 0.04 0.00 -0.77 -1.57 119.26 118.70 1j27 h ALA 73 Ca 0.02 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1j27 h ALA 73 Cb 0.80 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1j27 h ALA 73 CO 0.06 0.66 -0.22 0.00 0.00 0.00 0.00 179.25 179.75 1j27 h ALA 74 N 0.94 0.94 -0.48 0.00 0.00 -0.60 -1.32 119.26 118.74 1j27 h ALA 74 Ca 0.08 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1j27 h ALA 74 Cb 0.86 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1j27 h ALA 74 CO 0.08 0.61 0.10 0.00 0.00 0.00 0.00 179.25 180.04 1j27 h ALA 75 N 1.14 0.64 -0.94 0.00 0.00 -0.92 -0.79 119.26 118.39 1j27 h ALA 75 Ca 0.09 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1j27 h ALA 75 Cb 0.70 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1j27 h ALA 75 CO 0.05 0.34 0.62 0.00 0.00 0.00 0.00 179.25 180.26 1j27 h ARG 76 N 0.66 1.22 -0.25 0.00 3.08 -1.03 -2.12 114.38 115.94 1j27 h ARG 76 Ca 0.15 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1j27 h ARG 76 Cb 0.35 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1j27 h ARG 76 CO 0.00 0.81 0.12 0.35 -1.07 0.00 0.00 179.97 180.18 1j27 h PHE 77 N 1.26 0.36 -0.74 3.04 3.57 -0.83 -2.33 116.94 121.28 1j27 h PHE 77 Ca 0.35 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.89 1j27 h PHE 77 Cb -0.13 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.45 1j27 h PHE 77 CO -0.01 0.35 0.49 1.25 -2.23 0.00 0.00 178.31 178.16 1j27 h LEU 78 N 0.27 0.68 -0.71 0.59 5.85 -0.89 -0.71 115.31 120.39 1j27 h LEU 78 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1j27 h LEU 78 Cb 0.13 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1j27 h LEU 78 CO -0.01 0.44 0.00 0.00 -0.34 0.00 0.00 178.44 178.53 1j27 h ALA 79 N 1.60 1.00 -0.01 1.25 0.00 -0.86 -2.86 119.26 119.38 1j27 h ALA 79 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1j27 h ALA 79 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1j27 h ALA 79 CO -0.11 0.00 -0.58 0.39 0.00 0.00 0.00 179.25 178.95 1j27 n GLU 80 N -2.48 0.45 -0.05 0.00 1.02 -0.30 -4.21 120.64 115.07 1j27 n GLU 80 Ca 0.02 -0.32 0.01 0.00 -0.02 0.00 0.00 57.16 56.85 1j27 n GLU 80 Cb 0.30 -1.49 0.31 0.00 -0.02 0.00 0.00 31.44 30.54 1j27 n GLU 80 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1j27 h ALA 81 N 3.34 1.46 -0.91 0.62 0.00 -1.23 -3.49 119.26 119.05 1j27 h ALA 81 Ca 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1j27 h ALA 81 Cb 0.56 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1j27 h ALA 81 CO 0.00 0.41 -0.09 0.41 0.00 0.00 0.00 179.25 179.98 1j27 n GLY 82 N -1.12 -1.92 3.06 0.00 0.00 -1.26 -4.87 105.19 99.09 1j27 n GLY 82 Ca 0.03 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1j27 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j27 n GLY 83 N -1.08 1.97 3.31 -0.02 0.00 -1.26 -4.85 105.19 103.26 1j27 n GLY 83 Ca 0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 1j27 n GLY 83 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1j27 s PHE 84 N -0.43 0.29 0.03 1.61 -0.12 -1.26 -4.49 117.98 113.61 1j27 s PHE 84 Ca 0.00 -0.67 0.05 0.00 -0.05 0.00 0.00 56.93 56.26 1j27 s PHE 84 Cb 0.00 -0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.33 1j27 s PHE 84 CO 0.00 -0.68 -0.08 -0.65 -0.05 0.00 0.00 175.22 173.75 1j27 s GLN 85 N -3.93 2.40 -0.48 1.99 -0.21 -0.54 -4.92 119.66 113.98 1j27 s GLN 85 Ca 0.13 -0.82 -0.20 0.00 0.02 0.00 0.00 55.36 54.49 1j27 s GLN 85 Cb 0.03 -2.42 0.04 0.00 1.00 0.00 0.00 33.01 31.66 1j27 s GLN 85 CO -0.03 0.57 0.66 0.08 -2.12 0.00 0.00 175.29 174.45 1j27 s VAL 86 N -1.05 4.81 -0.03 1.09 1.01 -1.26 -0.77 120.40 124.20 1j27 s VAL 86 Ca 0.18 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1j27 s VAL 86 Cb -0.11 -4.27 -0.25 0.00 0.00 0.00 0.00 36.38 31.75 1j27 s VAL 86 CO 0.09 -0.73 0.72 0.00 0.00 0.00 0.00 175.10 175.18 1j27 h ALA 87 N 8.96 0.51 -2.49 5.51 0.00 -1.00 -3.48 119.26 127.27 1j27 h ALA 87 Ca -0.26 -1.29 -0.11 0.00 0.00 0.00 0.00 54.91 53.24 1j27 h ALA 87 Cb 1.09 0.41 -0.20 0.00 0.00 0.00 0.00 17.79 19.10 1j27 h ALA 87 CO 0.94 1.36 -0.24 -0.51 0.00 0.00 0.00 179.25 180.79 1j27 s LEU 88 N -6.63 0.77 0.14 0.00 1.43 -1.20 -4.98 118.68 108.20 1j27 s LEU 88 Ca -0.09 0.10 -0.14 0.00 -1.03 0.00 0.00 54.13 52.97 1j27 s LEU 88 Cb 0.07 1.35 0.02 0.00 0.03 0.00 0.00 46.19 47.66 1j27 s LEU 88 CO 0.82 -0.47 0.36 -1.83 0.23 0.00 0.00 176.35 175.46 1j27 s GLU 89 N -1.42 1.10 -0.07 1.70 -1.05 -1.26 -0.69 118.70 117.01 1j27 s GLU 89 Ca -0.13 -0.87 -0.05 0.00 -0.15 0.00 0.00 54.97 53.78 1j27 s GLU 89 Cb -0.05 0.44 0.02 0.00 -0.44 0.00 0.00 34.13 34.11 1j27 s GLU 89 CO 0.04 -0.42 0.17 -2.00 0.95 0.00 0.00 175.26 174.00 1j27 s GLU 90 N -3.86 0.17 -0.04 -4.83 2.12 0.11 -4.99 118.70 107.39 1j27 s GLU 90 Ca 0.07 0.29 0.04 0.00 0.36 0.00 0.00 54.97 55.73 1j27 s GLU 90 Cb 0.02 0.01 -0.03 0.00 0.26 0.00 0.00 34.13 34.40 1j27 s GLU 90 CO -0.08 -0.07 -0.14 -0.06 -0.54 0.00 0.00 175.26 174.37 1j27 s PHE 91 N 0.45 2.72 0.02 5.30 0.40 -1.26 -1.34 117.98 124.27 1j27 s PHE 91 Ca -0.03 -0.14 -0.00 0.00 -0.60 0.00 0.00 56.93 56.16 1j27 s PHE 91 Cb -0.04 -1.62 -0.02 0.00 0.51 0.00 0.00 43.02 41.85 1j27 s PHE 91 CO -0.02 0.21 -0.02 1.03 0.70 0.00 0.00 175.22 177.12 1j27 s ARG 92 N -0.83 0.26 -0.18 0.44 0.52 -0.29 -5.01 118.95 113.86 1j27 s ARG 92 Ca 0.12 -0.50 -0.04 0.00 -0.52 0.00 0.00 55.73 54.79 1j27 s ARG 92 Cb -0.11 0.09 0.06 0.00 0.52 0.00 0.00 34.95 35.52 1j27 s ARG 92 CO 0.01 -0.04 0.08 -1.17 0.02 0.00 0.00 175.30 174.20 1j27 s LEU 93 N -1.20 0.56 0.08 2.53 0.20 -1.26 -0.83 118.68 118.75 1j27 s LEU 93 Ca -0.13 -0.68 0.04 0.00 0.69 0.00 0.00 54.13 54.05 1j27 s LEU 93 Cb -0.08 -0.33 -0.04 0.00 -0.43 0.00 0.00 46.19 45.31 1j27 s LEU 93 CO -0.01 -0.34 -0.00 -1.61 -0.29 0.00 0.00 176.35 174.10 1j27 s GLU 94 N 2.07 2.57 -0.04 1.98 0.41 0.11 -4.94 118.70 120.86 1j27 s GLU 94 Ca 0.01 -0.81 0.06 0.00 -0.41 0.00 0.00 54.97 53.82 1j27 s GLU 94 Cb -0.16 -2.55 -0.02 0.00 -1.78 0.00 0.00 34.13 29.62 1j27 s GLU 94 CO -0.09 0.55 -0.21 0.00 -0.49 0.00 0.00 175.26 175.02 1j27 s ALA 95 N -1.28 2.37 -0.08 5.21 0.00 -1.26 -0.48 121.76 126.24 1j27 s ALA 95 Ca 0.25 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 51.17 1j27 s ALA 95 Cb -0.12 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.28 1j27 s ALA 95 CO 0.17 0.53 -0.12 -0.06 0.00 0.00 0.00 175.76 176.28 1j27 s PHE 96 N -0.61 1.55 0.29 0.00 0.40 0.45 -4.96 117.98 115.10 1j27 s PHE 96 Ca 0.09 -0.64 -0.29 0.00 -0.60 0.00 0.00 56.93 55.49 1j27 s PHE 96 Cb -0.11 -1.16 -0.10 0.00 0.51 0.00 0.00 43.02 42.17 1j27 s PHE 96 CO 0.00 -0.35 1.13 -2.00 0.70 0.00 0.00 175.22 174.70 1j27 s GLU 97 N 0.91 4.58 0.00 0.44 2.56 -1.26 -0.16 118.70 125.76 1j27 s GLU 97 Ca -0.10 1.87 0.23 0.00 0.00 0.00 0.00 54.97 56.97 1j27 s GLU 97 Cb -0.15 -3.15 0.18 0.00 2.00 0.00 0.00 34.13 33.01 1j27 s GLU 97 CO 0.01 0.13 1.23 1.28 -0.56 0.00 0.00 175.26 177.35