#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j34 s PRO 3 N -2.58 1.89 0.27 0.00 0.02 -1.26 -4.87 135.00 128.47 1j34 s PRO 3 Ca 0.22 1.44 -0.31 0.00 0.02 0.00 0.00 61.00 62.37 1j34 s PRO 3 Cb -0.09 -1.84 -0.12 0.00 0.02 0.00 0.00 34.50 32.47 1j34 s PRO 3 CO 0.12 -1.96 1.55 0.45 -0.33 0.00 0.00 177.00 176.83 1j34 n SER 4 N -3.46 3.51 0.00 2.53 2.88 -1.26 -1.42 113.62 116.40 1j34 n SER 4 Ca 0.11 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 1j34 n SER 4 Cb 0.52 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 1j34 n SER 4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j34 n GLY 5 N 2.30 2.14 3.86 0.46 0.00 -1.26 -5.05 105.19 107.63 1j34 n GLY 5 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 1j34 n GLY 5 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1j34 s TRP 6 N -2.55 3.23 -0.02 1.61 0.52 -0.51 -4.80 118.94 116.43 1j34 s TRP 6 Ca 0.00 -0.05 0.07 0.00 0.02 0.00 0.00 56.10 56.14 1j34 s TRP 6 Cb 0.00 -1.49 -0.02 0.00 -1.15 0.00 0.00 33.47 30.81 1j34 s TRP 6 CO 0.00 0.50 -0.23 -1.12 0.02 0.00 0.00 176.95 176.12 1j34 s SER 7 N -3.64 2.78 -0.10 2.95 0.01 0.14 -4.79 113.70 111.05 1j34 s SER 7 Ca 0.33 -0.43 -0.15 0.00 1.31 0.00 0.00 55.95 57.00 1j34 s SER 7 Cb -0.09 -0.40 -0.05 0.00 0.21 0.00 0.00 66.02 65.70 1j34 s SER 7 CO 0.26 0.28 0.37 -0.55 0.41 0.00 0.00 173.24 174.01 1j34 s SER 8 N -0.47 6.62 -0.16 2.44 0.15 -1.26 -0.12 113.70 120.89 1j34 s SER 8 Ca 0.07 0.74 -0.06 0.00 0.70 0.00 0.00 55.95 57.40 1j34 s SER 8 Cb -0.10 -2.23 0.08 0.00 -1.71 0.00 0.00 66.02 62.06 1j34 s SER 8 CO -0.00 0.16 0.33 -0.47 1.20 0.00 0.00 173.24 174.46 1j34 s TYR 9 N -0.06 -0.59 -1.01 3.44 5.04 -0.63 -4.98 117.35 118.56 1j34 s TYR 9 Ca 0.21 1.18 -0.25 0.00 -2.44 0.00 0.00 57.07 55.77 1j34 s TYR 9 Cb -0.15 0.10 0.03 0.00 0.35 0.00 0.00 41.96 42.30 1j34 s TYR 9 CO 0.09 -0.43 0.59 0.39 -1.34 0.00 0.00 175.55 174.85 1j34 n GLU 10 N 5.37 -0.53 0.00 4.97 1.02 -1.26 -1.56 120.64 128.65 1j34 n GLU 10 Ca -0.07 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1j34 n GLU 10 Cb 0.50 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 1j34 n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j34 n GLY 11 N -1.89 2.79 3.67 0.62 0.00 -1.26 -5.02 105.19 104.11 1j34 n GLY 11 Ca -0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 1j34 n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j34 s HIS 12 N -2.27 2.61 -0.10 1.61 3.76 -0.60 -5.02 115.29 115.29 1j34 s HIS 12 Ca 0.00 -0.41 0.02 0.00 -0.15 0.00 0.00 55.06 54.52 1j34 s HIS 12 Cb 0.00 -1.53 -0.02 0.00 1.11 0.00 0.00 32.58 32.14 1j34 s HIS 12 CO 0.00 0.43 -0.15 0.00 -0.85 0.00 0.00 174.74 174.17 1j34 s TYR 14 N 0.00 2.01 -0.23 0.00 1.51 0.82 -0.78 117.35 120.68 1j34 s TYR 14 Ca -0.05 -0.40 -0.09 0.00 -1.01 0.00 0.00 57.07 55.52 1j34 s TYR 14 Cb -0.14 -1.09 0.10 0.00 -0.11 0.00 0.00 41.96 40.71 1j34 s TYR 14 CO 0.04 0.26 0.52 0.21 -1.11 0.00 0.00 175.55 175.47 1j34 s LYS 15 N -1.97 0.46 0.32 -0.62 2.20 -0.61 0.25 119.74 119.77 1j34 s LYS 15 Ca 0.10 1.14 -0.16 0.00 -0.36 0.00 0.00 55.97 56.68 1j34 s LYS 15 Cb -0.10 0.41 -0.09 0.00 -1.51 0.00 0.00 37.83 36.53 1j34 s LYS 15 CO 0.05 -0.21 0.76 -1.25 -0.36 0.00 0.00 175.35 174.35 1j34 s PRO 16 N 2.37 4.07 -0.05 4.03 0.04 -1.26 -1.01 135.00 143.19 1j34 s PRO 16 Ca -0.05 0.76 0.03 0.00 0.04 0.00 0.00 61.00 61.78 1j34 s PRO 16 Cb -0.10 -2.46 0.01 0.00 0.04 0.00 0.00 34.50 31.98 1j34 s PRO 16 CO -0.16 0.17 -0.12 -0.06 0.04 0.00 0.00 177.00 176.87 1j34 s PHE 17 N -1.94 1.34 -0.41 0.56 0.40 0.63 -4.96 117.98 113.59 1j34 s PHE 17 Ca 0.54 -0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 56.42 1j34 s PHE 17 Cb -0.11 -0.97 0.28 0.00 0.51 0.00 0.00 43.02 42.73 1j34 s PHE 17 CO 0.17 -0.21 2.03 1.17 0.70 0.00 0.00 175.22 179.08 1j34 n LYS 18 N 3.56 2.05 -4.47 0.44 3.00 -1.26 -2.47 118.16 119.01 1j34 n LYS 18 Ca -0.21 -2.04 -0.34 0.00 -0.00 0.00 0.00 58.31 55.72 1j34 n LYS 18 Cb 0.52 -1.80 -0.10 0.00 0.00 0.00 0.00 35.03 33.65 1j34 n LYS 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1j34 s LEU 19 N -2.37 3.39 -0.44 3.14 1.43 -1.26 -4.99 118.68 117.59 1j34 s LEU 19 Ca 0.40 0.05 -0.16 0.00 -1.03 0.00 0.00 54.13 53.39 1j34 s LEU 19 Cb 0.32 -1.77 0.04 0.00 0.03 0.00 0.00 46.19 44.80 1j34 s LEU 19 CO -0.01 0.35 0.40 -0.31 0.23 0.00 0.00 176.35 177.01 1j34 s TYR 20 N -0.69 3.20 0.09 0.29 2.02 -1.26 -3.42 117.35 117.57 1j34 s TYR 20 Ca 0.11 -0.60 0.02 0.00 -0.37 0.00 0.00 57.07 56.23 1j34 s TYR 20 Cb -0.12 -2.93 -0.04 0.00 -0.40 0.00 0.00 41.96 38.48 1j34 s TYR 20 CO 0.02 -0.72 -0.07 0.15 -1.57 0.00 0.00 175.55 173.36 1j34 s LYS 21 N 1.92 0.77 1.02 -0.62 1.02 -0.79 -4.67 119.74 118.40 1j34 s LYS 21 Ca 0.08 -1.21 -0.12 0.00 0.02 0.00 0.00 55.97 54.74 1j34 s LYS 21 Cb -0.20 -0.25 0.20 0.00 -0.52 0.00 0.00 37.83 37.06 1j34 s LYS 21 CO 0.11 0.00 1.09 0.95 -0.92 0.00 0.00 175.35 176.58 1j34 s THR 22 N -3.08 2.05 0.14 2.17 -4.23 -1.25 -1.20 115.64 110.25 1j34 s THR 22 Ca 0.07 0.02 -0.17 0.00 -1.18 0.00 0.00 61.69 60.42 1j34 s THR 22 Cb 0.02 -2.46 -0.01 0.00 1.34 0.00 0.00 72.50 71.39 1j34 s THR 22 CO -0.03 -0.02 1.77 -0.25 -0.54 0.00 0.00 174.62 175.55 1j34 h TRP 23 N -1.99 0.29 -0.31 3.99 7.01 -1.53 -0.28 115.95 123.12 1j34 h TRP 23 Ca -0.56 0.01 0.01 0.00 2.11 0.00 0.00 58.89 60.46 1j34 h TRP 23 Cb 1.33 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 28.29 1j34 h TRP 23 CO 0.28 0.16 0.20 -0.44 -2.79 0.00 0.00 178.44 175.85 1j34 h ASP 24 N 0.32 0.34 -0.66 2.65 3.32 -1.92 -0.18 116.42 120.30 1j34 h ASP 24 Ca 0.13 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 1j34 h ASP 24 Cb 0.05 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1j34 h ASP 24 CO -0.09 0.25 0.13 0.44 -1.72 0.00 0.00 179.24 178.25 1j34 h ASP 25 N 0.41 1.03 -0.24 6.45 3.32 -1.86 -1.28 116.42 124.26 1j34 h ASP 25 Ca 0.12 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 1j34 h ASP 25 Cb -0.04 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 1j34 h ASP 25 CO -0.03 1.01 0.05 0.00 -1.72 0.00 0.00 179.24 178.54 1j34 h ALA 26 N 1.11 0.31 -0.22 3.45 0.00 -0.77 0.25 119.26 123.39 1j34 h ALA 26 Ca 0.21 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1j34 h ALA 26 Cb 0.40 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1j34 h ALA 26 CO 0.01 -0.02 0.09 1.49 0.00 0.00 0.00 179.25 180.82 1j34 h GLU 27 N 0.20 0.19 -0.54 0.00 4.57 -0.88 0.30 114.58 118.42 1j34 h GLU 27 Ca 0.07 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1j34 h GLU 27 Cb 0.31 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.83 1j34 h GLU 27 CO 0.00 0.13 0.35 -0.09 -1.18 0.00 0.00 179.01 178.22 1j34 h ARG 28 N 0.20 0.73 -0.64 1.92 2.43 -1.13 -2.11 114.38 115.78 1j34 h ARG 28 Ca 0.09 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.28 1j34 h ARG 28 Cb 0.05 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 29.38 1j34 h ARG 28 CO -0.08 0.50 0.32 0.35 -1.51 0.00 0.00 179.97 179.55 1j34 h PHE 29 N 0.74 0.59 -0.56 2.20 3.57 -0.47 -1.90 116.94 121.10 1j34 h PHE 29 Ca 0.20 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 1j34 h PHE 29 Cb -0.06 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 1j34 h PHE 29 CO -0.03 0.25 0.23 0.00 -2.23 0.00 0.00 178.31 176.52 1j34 h THR 31 N 0.80 0.00 -0.00 0.00 1.35 -0.72 -2.21 112.91 112.13 1j34 h THR 31 Ca 0.19 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 1j34 h THR 31 Cb 0.16 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1j34 h THR 31 CO -0.02 0.00 -0.88 -0.62 -0.25 0.00 0.00 175.52 173.75 1j34 n GLU 32 N -2.56 0.32 0.18 4.72 1.02 -0.63 -4.34 120.64 119.35 1j34 n GLU 32 Ca -0.00 -0.22 0.09 0.00 -0.02 0.00 0.00 57.16 57.01 1j34 n GLU 32 Cb 0.15 -1.49 0.10 0.00 -0.02 0.00 0.00 31.44 30.19 1j34 n GLU 32 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1j34 h GLN 33 N 0.53 0.00 -2.46 3.49 1.08 -1.12 -3.47 115.11 113.16 1j34 h GLN 33 Ca 0.00 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.24 1j34 h GLN 33 Cb 0.55 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 27.83 1j34 h GLN 33 CO 0.00 0.17 0.36 0.00 -0.95 0.00 0.00 178.83 178.41 1j34 s ALA 34 N -3.13 -1.74 -0.02 3.87 0.00 -1.25 -5.04 121.76 114.45 1j34 s ALA 34 Ca 0.05 0.90 -0.30 0.00 0.00 0.00 0.00 51.96 52.61 1j34 s ALA 34 Cb 0.06 0.46 -0.06 0.00 0.00 0.00 0.00 23.12 23.58 1j34 s ALA 34 CO 0.71 -0.65 1.66 0.21 0.00 0.00 0.00 175.76 177.69 1j34 s LYS 35 N -2.99 4.19 0.00 0.00 2.47 -1.26 -1.36 119.74 120.79 1j34 s LYS 35 Ca 0.01 2.24 0.00 0.00 -1.56 0.00 0.00 55.97 56.67 1j34 s LYS 35 Cb -0.01 -3.89 0.00 0.00 -1.46 0.00 0.00 37.83 32.47 1j34 s LYS 35 CO -0.08 -0.81 0.00 0.41 0.16 0.00 0.00 175.35 175.03 1j34 n GLY 36 N 4.10 0.50 3.77 5.54 0.00 -1.26 -4.95 105.19 112.90 1j34 n GLY 36 Ca 0.17 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 1j34 n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j34 s GLY 37 N -2.39 2.59 0.26 -0.02 0.00 -0.46 -4.66 107.32 102.63 1j34 s GLY 37 Ca 0.00 0.79 -0.21 0.00 0.00 0.00 0.00 44.72 45.30 1j34 s GLY 37 CO 0.00 1.14 0.68 0.30 0.00 0.00 0.00 173.10 175.23 1j34 s HIS 38 N -1.83 -0.21 0.64 1.90 3.76 -0.73 -3.40 115.29 115.42 1j34 s HIS 38 Ca 0.72 -0.21 -0.18 0.00 -0.15 0.00 0.00 55.06 55.24 1j34 s HIS 38 Cb -0.23 0.65 -0.01 0.00 1.11 0.00 0.00 32.58 34.10 1j34 s HIS 38 CO 0.28 -1.16 1.25 -0.51 -0.85 0.00 0.00 174.74 173.75 1j34 s LEU 39 N -2.90 3.57 0.36 0.89 1.43 -1.26 -0.24 118.68 120.52 1j34 s LEU 39 Ca 0.10 2.50 -0.27 0.00 -1.03 0.00 0.00 54.13 55.43 1j34 s LEU 39 Cb -0.05 -4.61 -0.12 0.00 0.03 0.00 0.00 46.19 41.45 1j34 s LEU 39 CO 0.04 -1.91 1.27 0.55 0.23 0.00 0.00 176.35 176.54 1j34 n VAL 40 N -1.92 2.13 -3.90 -1.59 3.14 0.53 -4.22 118.33 112.50 1j34 n VAL 40 Ca 0.15 -0.50 -0.35 0.00 -2.96 0.00 0.00 64.34 60.68 1j34 n VAL 40 Cb 0.49 -1.55 -0.14 0.00 -1.06 0.00 0.00 33.84 31.58 1j34 n VAL 40 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1j34 s SER 41 N -0.37 4.72 -0.59 6.55 1.04 -1.26 -0.19 113.70 123.59 1j34 s SER 41 Ca 0.57 -1.04 -0.23 0.00 0.48 0.00 0.00 55.95 55.73 1j34 s SER 41 Cb -0.56 -1.72 0.06 0.00 0.10 0.00 0.00 66.02 63.90 1j34 s SER 41 CO 0.61 -0.21 0.90 -0.63 0.98 0.00 0.00 173.24 174.90 1j34 s ILE 42 N 1.32 4.44 -1.27 -1.02 -1.09 -1.26 -4.88 121.20 117.44 1j34 s ILE 42 Ca -0.02 -0.16 0.13 0.00 -2.23 0.00 0.00 60.65 58.37 1j34 s ILE 42 Cb -0.18 -4.57 0.30 0.00 -1.58 0.00 0.00 42.46 36.43 1j34 s ILE 42 CO -0.02 -1.22 1.21 -0.62 -1.23 0.00 0.00 174.94 173.05 1j34 n GLU 43 N 7.35 2.32 -3.53 2.79 1.02 -1.26 -4.99 120.64 124.34 1j34 n GLU 43 Ca -0.02 -1.94 -0.09 0.00 -0.02 0.00 0.00 57.16 55.10 1j34 n GLU 43 Cb 0.46 -1.31 -0.02 0.00 -0.02 0.00 0.00 31.44 30.55 1j34 n GLU 43 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1j34 s SER 44 N -1.03 -0.38 0.20 1.62 1.04 -1.26 -5.02 113.70 108.87 1j34 s SER 44 Ca 0.25 -0.08 -0.09 0.00 0.48 0.00 0.00 55.95 56.51 1j34 s SER 44 Cb 0.14 0.47 0.13 0.00 0.10 0.00 0.00 66.02 66.85 1j34 s SER 44 CO 0.18 -0.78 1.75 0.00 0.98 0.00 0.00 173.24 175.37 1j34 h ALA 45 N 2.00 0.96 -0.70 5.32 0.00 -1.98 -0.44 119.26 124.42 1j34 h ALA 45 Ca -0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1j34 h ALA 45 Cb 1.26 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1j34 h ALA 45 CO 0.31 0.63 0.35 0.78 0.00 0.00 0.00 179.25 181.32 1j34 h GLY 46 N 1.09 1.08 1.24 0.00 0.00 -1.99 0.13 103.07 104.62 1j34 h GLY 46 Ca 0.24 -0.53 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 1j34 h GLY 46 CO -0.01 0.50 -0.12 -2.09 0.00 0.00 0.00 176.54 174.82 1j34 h GLU 47 N 0.98 0.89 -0.84 4.80 4.81 -1.89 0.22 114.58 123.55 1j34 h GLU 47 Ca 0.24 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1j34 h GLU 47 Cb 0.10 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1j34 h GLU 47 CO -0.03 0.96 0.50 0.00 -0.73 0.00 0.00 179.01 179.71 1j34 h ALA 48 N 1.06 1.07 -0.45 2.92 0.00 -0.47 -0.20 119.26 123.20 1j34 h ALA 48 Ca 0.13 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1j34 h ALA 48 Cb 0.65 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1j34 h ALA 48 CO 0.04 0.54 -0.26 -0.44 0.00 0.00 0.00 179.25 179.13 1j34 h ASP 49 N 1.16 1.01 -0.39 0.00 3.32 -0.28 -0.89 116.42 120.36 1j34 h ASP 49 Ca 0.30 -0.42 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1j34 h ASP 49 Cb -0.04 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 1j34 h ASP 49 CO -0.06 1.21 0.19 0.15 -1.72 0.00 0.00 179.24 179.01 1j34 h PHE 50 N 0.82 0.56 -0.66 4.55 3.57 -0.49 -1.93 116.94 123.36 1j34 h PHE 50 Ca 0.10 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 1j34 h PHE 50 Cb 0.85 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 1j34 h PHE 50 CO 0.06 0.47 0.10 0.28 -2.23 0.00 0.00 178.31 176.99 1j34 h VAL 51 N 0.49 1.26 -0.49 1.41 2.07 -0.97 -1.83 116.25 118.20 1j34 h VAL 51 Ca 0.13 -1.04 0.03 0.00 0.82 0.00 0.00 66.70 66.64 1j34 h VAL 51 Cb 0.11 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 1j34 h VAL 51 CO -0.02 0.39 0.27 0.00 0.02 0.00 0.00 177.57 178.23 1j34 h ALA 52 N 1.05 0.63 -0.66 1.67 0.00 -0.91 -0.14 119.26 120.90 1j34 h ALA 52 Ca 0.20 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1j34 h ALA 52 Cb 0.45 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1j34 h ALA 52 CO 0.01 -0.06 0.25 0.37 0.00 0.00 0.00 179.25 179.82 1j34 h GLN 53 N 0.53 1.00 -0.83 0.00 4.15 -1.14 -1.50 115.11 117.31 1j34 h GLN 53 Ca 0.21 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 1j34 h GLN 53 Cb 0.08 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.57 1j34 h GLN 53 CO -0.12 0.85 0.45 1.25 -1.93 0.00 0.00 178.83 179.32 1j34 h LEU 54 N 0.94 1.05 -0.05 -2.39 5.85 -0.77 -2.26 115.31 117.67 1j34 h LEU 54 Ca 0.22 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1j34 h LEU 54 Cb 0.24 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1j34 h LEU 54 CO -0.01 0.85 -0.01 0.58 -0.34 0.00 0.00 178.44 179.51 1j34 h VAL 55 N 1.16 1.27 -0.94 1.05 2.07 -0.74 -2.42 116.25 117.71 1j34 h VAL 55 Ca 0.29 -0.84 0.06 0.00 0.82 0.00 0.00 66.70 67.04 1j34 h VAL 55 Cb 0.04 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 1j34 h VAL 55 CO -0.05 0.23 0.61 0.71 0.02 0.00 0.00 177.57 179.09 1j34 h THR 56 N -0.23 1.08 0.00 2.57 1.35 -1.15 0.32 112.91 116.84 1j34 h THR 56 Ca 0.01 -0.37 -0.01 0.00 -0.55 0.00 0.00 66.41 65.50 1j34 h THR 56 Cb 0.36 -0.10 -0.00 0.00 -1.73 0.00 0.00 68.15 66.68 1j34 h THR 56 CO 0.00 0.20 -0.02 1.05 -0.25 0.00 0.00 175.52 176.50 1j34 h GLU 57 N 1.08 0.00 0.00 4.72 4.11 -1.40 -3.39 114.58 119.71 1j34 h GLU 57 Ca 0.40 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.71 1j34 h GLU 57 Cb 0.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1j34 h GLU 57 CO -0.15 0.02 -1.47 0.09 0.07 0.00 0.00 179.01 177.58 1j34 n ASN 58 N -3.11 3.31 -4.28 3.06 3.02 -0.88 -4.89 115.26 111.49 1j34 n ASN 58 Ca 0.04 0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 54.14 1j34 n ASN 58 Cb 0.53 0.69 -0.05 0.00 -0.61 0.00 0.00 39.78 40.33 1j34 n ASN 58 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1j34 s ILE 59 N -2.17 4.99 0.00 2.41 1.01 0.11 -4.91 121.20 122.63 1j34 s ILE 59 Ca -0.03 -1.86 0.00 0.00 0.00 0.00 0.00 60.65 58.76 1j34 s ILE 59 Cb 0.02 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.30 1j34 s ILE 59 CO 0.28 -0.88 0.84 1.67 0.00 0.00 0.00 174.94 176.84 1j34 n GLN 60 N 4.80 0.00 -1.38 2.79 -0.06 -1.26 -4.66 117.38 117.60 1j34 n GLN 60 Ca -0.05 0.42 -0.60 0.00 -2.00 0.00 0.00 57.00 54.77 1j34 n GLN 60 Cb 0.42 -1.34 -0.11 0.00 -4.06 0.00 0.00 30.24 25.15 1j34 n GLN 60 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1j34 n ASN 61 N -1.65 1.12 -0.09 1.69 5.15 -1.26 -4.77 115.26 115.45 1j34 n ASN 61 Ca 0.00 0.74 0.06 0.00 -0.60 0.00 0.00 54.58 54.78 1j34 n ASN 61 Cb 0.00 -0.97 0.31 0.00 -0.53 0.00 0.00 39.78 38.60 1j34 n ASN 61 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1j34 n THR 62 N 6.13 0.05 0.02 -0.44 -2.24 -1.26 -2.97 114.28 113.56 1j34 n THR 62 Ca 0.48 -0.06 0.02 0.00 -2.27 0.00 0.00 64.05 62.22 1j34 n THR 62 Cb 0.01 -0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.05 1j34 n THR 62 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1j34 n LYS 63 N -0.51 0.63 -1.75 -0.78 5.02 -1.26 -4.52 118.16 114.99 1j34 n LYS 63 Ca 0.09 0.11 -0.33 0.00 -2.02 0.00 0.00 58.31 56.16 1j34 n LYS 63 Cb 0.08 -1.73 0.05 0.00 -0.02 0.00 0.00 35.03 33.41 1j34 n LYS 63 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1j34 s SER 64 N -5.48 5.14 0.04 4.39 0.01 -1.16 -5.01 113.70 111.64 1j34 s SER 64 Ca -0.04 1.97 0.05 0.00 1.31 0.00 0.00 55.95 59.23 1j34 s SER 64 Cb 0.09 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 1j34 s SER 64 CO 0.83 -1.61 -0.06 -0.31 0.41 0.00 0.00 173.24 172.50 1j34 s TYR 65 N -2.40 2.87 -0.20 2.43 1.51 -1.26 -4.57 117.35 115.74 1j34 s TYR 65 Ca 0.66 -0.07 -0.02 0.00 -1.01 0.00 0.00 57.07 56.64 1j34 s TYR 65 Cb -0.20 -1.55 0.00 0.00 -0.11 0.00 0.00 41.96 40.11 1j34 s TYR 65 CO 0.42 0.40 -0.11 0.08 -1.11 0.00 0.00 175.55 175.23 1j34 s VAL 66 N -1.11 2.82 0.34 0.71 1.01 0.11 -3.27 120.40 121.02 1j34 s VAL 66 Ca 0.20 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.20 1j34 s VAL 66 Cb -0.11 -2.24 -0.11 0.00 0.00 0.00 0.00 36.38 33.92 1j34 s VAL 66 CO 0.11 0.48 1.44 0.26 0.00 0.00 0.00 175.10 177.38 1j34 s TRP 67 N 1.32 2.78 0.31 5.22 0.23 -0.68 -0.37 118.94 127.76 1j34 s TRP 67 Ca 0.04 1.20 0.08 0.00 -2.03 0.00 0.00 56.10 55.39 1j34 s TRP 67 Cb -0.14 -3.90 -0.06 0.00 0.03 0.00 0.00 33.47 29.40 1j34 s TRP 67 CO -0.06 -2.66 -0.08 0.96 0.96 0.00 0.00 176.95 176.07 1j34 s ILE 68 N -0.93 1.95 -2.00 2.03 -4.36 -1.12 -3.64 121.20 113.13 1j34 s ILE 68 Ca 0.53 -2.17 0.14 0.00 -0.26 0.00 0.00 60.65 58.89 1j34 s ILE 68 Cb -0.44 -2.55 0.39 0.00 1.25 0.00 0.00 42.46 41.12 1j34 s ILE 68 CO 0.57 -0.25 1.49 0.61 0.24 0.00 0.00 174.94 177.60 1j34 n GLY 69 N -0.69 -0.95 3.65 6.27 0.00 0.73 -4.71 105.19 109.49 1j34 n GLY 69 Ca -0.05 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 1j34 n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j34 s LEU 70 N -1.46 4.11 0.19 0.99 2.96 -1.26 -4.98 118.68 119.23 1j34 s LEU 70 Ca 0.21 0.53 -0.19 0.00 -0.22 0.00 0.00 54.13 54.46 1j34 s LEU 70 Cb 0.10 -2.59 0.03 0.00 0.50 0.00 0.00 46.19 44.23 1j34 s LEU 70 CO 0.16 -0.17 0.55 0.00 -1.32 0.00 0.00 176.35 175.57 1j34 s ARG 71 N 1.73 1.38 -0.14 1.98 1.70 -1.26 -3.48 118.95 120.87 1j34 s ARG 71 Ca 0.20 -0.80 -0.29 0.00 -0.47 0.00 0.00 55.73 54.37 1j34 s ARG 71 Cb -0.15 0.54 -0.03 0.00 -0.57 0.00 0.00 34.95 34.73 1j34 s ARG 71 CO 0.09 -0.59 1.52 0.08 -1.08 0.00 0.00 175.30 175.31 1j34 s VAL 72 N -3.85 3.84 -1.01 4.99 1.01 -0.64 -4.92 120.40 119.81 1j34 s VAL 72 Ca 0.08 0.99 -0.14 0.00 0.00 0.00 0.00 61.98 62.91 1j34 s VAL 72 Cb -0.01 -3.71 0.20 0.00 0.00 0.00 0.00 36.38 32.86 1j34 s VAL 72 CO -0.04 -0.16 1.09 -1.10 0.00 0.00 0.00 175.10 174.88 1j34 s GLN 73 N 4.05 3.86 0.00 2.72 -1.52 -1.26 -4.88 119.66 122.64 1j34 s GLN 73 Ca 0.67 -2.52 0.00 0.00 -1.95 0.00 0.00 55.36 51.56 1j34 s GLN 73 Cb -0.27 -4.72 0.00 0.00 -0.22 0.00 0.00 33.01 27.80 1j34 s GLN 73 CO 0.25 -1.50 0.00 0.41 -0.25 0.00 0.00 175.29 174.20 1j34 n GLY 74 N 4.04 -0.34 0.44 3.09 0.00 -1.26 -5.04 105.19 106.13 1j34 n GLY 74 Ca 0.24 -1.03 0.10 0.00 0.00 0.00 0.00 46.02 45.32 1j34 n GLY 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j34 n LYS 75 N -0.31 1.35 -1.71 1.61 5.02 -1.26 -5.01 118.16 117.85 1j34 n LYS 75 Ca 0.00 -0.91 -0.40 0.00 -2.02 0.00 0.00 58.31 54.98 1j34 n LYS 75 Cb 0.00 -1.41 0.02 0.00 -0.02 0.00 0.00 35.03 33.62 1j34 n LYS 75 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1j34 n GLU 76 N -0.09 1.86 0.06 1.97 4.71 -1.26 -4.90 120.64 122.98 1j34 n GLU 76 Ca 0.08 0.67 0.04 0.00 -0.01 0.00 0.00 57.16 57.94 1j34 n GLU 76 Cb 0.42 -2.45 -0.05 0.00 -1.01 0.00 0.00 31.44 28.34 1j34 n GLU 76 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1j34 n LYS 77 N -0.31 0.62 -3.51 3.49 4.76 -1.26 -4.92 118.16 117.02 1j34 n LYS 77 Ca 0.08 0.18 -0.16 0.00 -2.87 0.00 0.00 58.31 55.54 1j34 n LYS 77 Cb 0.42 -1.81 -0.05 0.00 -1.84 0.00 0.00 35.03 31.74 1j34 n LYS 77 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1j34 s GLN 78 N -3.08 1.10 -0.15 1.97 1.03 -1.26 -4.84 119.66 114.42 1j34 s GLN 78 Ca -0.02 0.02 0.17 0.00 0.04 0.00 0.00 55.36 55.57 1j34 s GLN 78 Cb 0.09 0.51 0.35 0.00 0.03 0.00 0.00 33.01 33.99 1j34 s GLN 78 CO 0.80 -0.38 1.21 0.00 -2.54 0.00 0.00 175.29 174.38 1j34 h SER 80 N 0.43 0.48 0.00 0.00 0.87 -2.02 -3.47 113.55 109.84 1j34 h SER 80 Ca 0.01 -0.81 0.00 0.00 -1.23 0.00 0.00 61.79 59.76 1j34 h SER 80 Cb 1.09 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1j34 h SER 80 CO 0.05 1.23 0.00 -1.20 -0.53 0.00 0.00 176.83 176.38 1j34 n SER 81 N -4.23 0.00 -3.73 6.23 7.64 -1.26 -4.93 113.62 113.34 1j34 n SER 81 Ca -0.11 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.65 1j34 n SER 81 Cb 0.69 -0.93 -0.11 0.00 -1.01 0.00 0.00 64.21 62.84 1j34 n SER 81 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1j34 s GLU 82 N -0.16 0.34 0.85 1.43 2.12 -1.26 -1.61 118.70 120.41 1j34 s GLU 82 Ca 0.00 0.58 -0.12 0.00 0.36 0.00 0.00 54.97 55.79 1j34 s GLU 82 Cb 0.00 0.05 0.10 0.00 0.26 0.00 0.00 34.13 34.53 1j34 s GLU 82 CO 0.00 -0.11 1.10 -1.58 -0.54 0.00 0.00 175.26 174.13 1j34 s TRP 83 N 0.82 2.61 0.43 5.30 0.52 -0.01 -4.91 118.94 123.69 1j34 s TRP 83 Ca -0.05 1.15 0.40 0.00 0.02 0.00 0.00 56.10 57.62 1j34 s TRP 83 Cb -0.06 -3.16 1.97 0.00 -1.15 0.00 0.00 33.47 31.07 1j34 s TRP 83 CO -0.06 -2.07 2.21 0.66 0.02 0.00 0.00 176.95 177.71 1j34 h SER 84 N -1.30 0.00 -0.14 2.95 4.64 -2.02 -1.07 113.55 116.60 1j34 h SER 84 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1j34 h SER 84 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1j34 h SER 84 CO 0.58 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.64 1j34 n ASP 85 N -3.10 0.97 0.00 4.97 5.68 -1.26 -4.90 116.55 118.91 1j34 n ASP 85 Ca -0.01 -1.80 0.00 0.00 -0.50 0.00 0.00 54.79 52.47 1j34 n ASP 85 Cb 0.17 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 1j34 n ASP 85 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j34 n GLY 86 N 0.88 2.64 3.81 6.12 0.00 -0.41 -5.04 105.19 113.20 1j34 n GLY 86 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1j34 n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j34 s SER 87 N -1.74 6.38 0.60 1.61 1.04 -1.26 -4.75 113.70 115.57 1j34 s SER 87 Ca 0.00 1.80 -0.18 0.00 0.48 0.00 0.00 55.95 58.05 1j34 s SER 87 Cb 0.00 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 1j34 s SER 87 CO 0.00 -0.75 1.13 -0.44 0.98 0.00 0.00 173.24 174.15 1j34 s SER 88 N -2.38 5.43 -0.49 7.02 0.01 -1.26 -0.83 113.70 121.20 1j34 s SER 88 Ca 0.64 2.12 -0.21 0.00 1.31 0.00 0.00 55.95 59.81 1j34 s SER 88 Cb -0.14 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.56 1j34 s SER 88 CO 0.24 -1.42 0.71 -0.69 0.41 0.00 0.00 173.24 172.49 1j34 s VAL 89 N -2.00 4.74 0.00 3.43 1.01 -0.63 -4.73 120.40 122.21 1j34 s VAL 89 Ca 0.71 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1j34 s VAL 89 Cb -0.23 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 31.84 1j34 s VAL 89 CO 0.33 -0.79 0.00 -0.24 0.00 0.00 0.00 175.10 174.41 1j34 n SER 90 N 6.51 0.00 -4.77 3.32 2.88 -1.26 -4.94 113.62 115.36 1j34 n SER 90 Ca -0.02 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.11 1j34 n SER 90 Cb 0.47 -0.17 -0.01 0.00 -0.75 0.00 0.00 64.21 63.75 1j34 n SER 90 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1j34 s TYR 91 N -0.75 2.77 0.06 0.66 5.04 -1.26 -5.02 117.35 118.84 1j34 s TYR 91 Ca 0.00 1.28 -0.04 0.00 -2.44 0.00 0.00 57.07 55.87 1j34 s TYR 91 Cb 0.00 -3.87 -0.02 0.00 0.35 0.00 0.00 41.96 38.42 1j34 s TYR 91 CO 0.00 -2.50 0.07 -1.21 -1.34 0.00 0.00 175.55 170.57 1j34 s GLU 92 N -2.01 0.66 -0.36 4.97 2.02 -1.26 -5.09 118.70 117.64 1j34 s GLU 92 Ca 0.52 -0.99 0.13 0.00 0.02 0.00 0.00 54.97 54.65 1j34 s GLU 92 Cb -0.43 0.25 0.42 0.00 0.10 0.00 0.00 34.13 34.47 1j34 s GLU 92 CO 0.58 -0.16 1.26 -1.71 0.02 0.00 0.00 175.26 175.25 1j34 n ASN 93 N 0.30 -0.72 -4.77 -0.19 5.15 -1.26 -5.13 115.26 108.64 1j34 n ASN 93 Ca -0.16 -2.46 -0.34 0.00 -0.60 0.00 0.00 54.58 51.02 1j34 n ASN 93 Cb 0.60 0.46 0.03 0.00 -0.53 0.00 0.00 39.78 40.34 1j34 n ASN 93 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1j34 s TRP 94 N -0.97 2.57 -0.14 1.20 0.52 -1.26 -5.00 118.94 115.86 1j34 s TRP 94 Ca 0.22 1.55 -0.18 0.00 0.02 0.00 0.00 56.10 57.71 1j34 s TRP 94 Cb 0.42 -3.28 -0.04 0.00 -1.15 0.00 0.00 33.47 29.41 1j34 s TRP 94 CO -0.06 -1.78 0.46 0.42 0.02 0.00 0.00 176.95 176.01 1j34 s ILE 95 N -1.98 5.19 0.30 2.03 1.01 -1.26 -4.95 121.20 121.54 1j34 s ILE 95 Ca 0.71 0.90 0.04 0.00 0.00 0.00 0.00 60.65 62.31 1j34 s ILE 95 Cb -0.24 -3.80 0.29 0.00 0.01 0.00 0.00 42.46 38.72 1j34 s ILE 95 CO 0.35 0.31 1.78 -0.33 0.00 0.00 0.00 174.94 177.04 1j34 h GLU 96 N 6.86 0.73 0.00 2.79 5.08 -1.95 0.46 114.58 128.56 1j34 h GLU 96 Ca -0.40 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1j34 h GLU 96 Cb 1.17 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1j34 h GLU 96 CO 0.75 0.48 0.00 0.00 -1.00 0.00 0.00 179.01 179.25 1j34 n ALA 97 N -2.35 1.49 0.76 3.43 0.00 -1.26 -1.82 120.51 120.76 1j34 n ALA 97 Ca 0.22 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.87 1j34 n ALA 97 Cb 0.54 -1.34 0.23 0.00 0.00 0.00 0.00 19.45 18.88 1j34 n ALA 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1j34 n GLU 98 N -2.12 0.17 -3.02 0.00 -0.58 0.15 -4.40 120.64 110.83 1j34 n GLU 98 Ca 0.01 0.05 -0.45 0.00 -0.42 0.00 0.00 57.16 56.36 1j34 n GLU 98 Cb 0.17 -1.60 -0.03 0.00 -0.57 0.00 0.00 31.44 29.41 1j34 n GLU 98 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1j34 s SER 99 N -3.69 6.61 -1.22 1.62 0.15 -0.75 -4.94 113.70 111.47 1j34 s SER 99 Ca 0.08 -2.10 -0.14 0.00 0.70 0.00 0.00 55.95 54.50 1j34 s SER 99 Cb 0.15 -2.35 0.16 0.00 -1.71 0.00 0.00 66.02 62.27 1j34 s SER 99 CO 0.70 -0.98 1.50 0.29 1.20 0.00 0.00 173.24 175.95 1j34 n LYS 100 N 6.02 3.38 -0.70 5.44 5.02 -1.26 -4.67 118.16 131.38 1j34 n LYS 100 Ca 0.18 -3.78 0.08 0.00 -2.02 0.00 0.00 58.31 52.77 1j34 n LYS 100 Cb 0.48 -3.06 0.36 0.00 -0.02 0.00 0.00 35.03 32.79 1j34 n LYS 100 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1j34 n THR 101 N 4.61 2.11 -4.46 -0.18 -2.24 -1.22 -4.17 114.28 108.73 1j34 n THR 101 Ca 0.38 -1.19 -0.22 0.00 -2.27 0.00 0.00 64.05 60.74 1j34 n THR 101 Cb 0.42 -0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.46 1j34 n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j34 s LEU 103 N -3.49 2.06 0.07 0.00 1.43 -1.23 -0.98 118.68 116.54 1j34 s LEU 103 Ca 0.31 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 1j34 s LEU 103 Cb 0.04 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.55 1j34 s LEU 103 CO 0.13 0.13 -0.05 -0.83 0.23 0.00 0.00 176.35 175.96 1j34 s GLY 104 N -0.54 0.59 0.10 -3.19 0.00 -0.45 -2.78 107.32 101.06 1j34 s GLY 104 Ca 0.04 -1.19 -0.04 0.00 0.00 0.00 0.00 44.72 43.53 1j34 s GLY 104 CO -0.00 -1.29 0.32 1.08 0.00 0.00 0.00 173.10 173.21 1j34 s LEU 105 N -2.76 4.31 0.06 0.66 1.43 0.51 -1.25 118.68 121.65 1j34 s LEU 105 Ca 0.06 0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 53.55 1j34 s LEU 105 Cb 0.04 -3.11 0.02 0.00 0.03 0.00 0.00 46.19 43.16 1j34 s LEU 105 CO -0.06 0.12 0.28 -1.83 0.23 0.00 0.00 176.35 175.09 1j34 s GLU 106 N -2.45 0.84 0.17 1.70 4.04 -1.26 -0.71 118.70 121.03 1j34 s GLU 106 Ca 0.37 -0.65 -0.21 0.00 0.04 0.00 0.00 54.97 54.53 1j34 s GLU 106 Cb -0.13 0.36 0.08 0.00 0.02 0.00 0.00 34.13 34.46 1j34 s GLU 106 CO 0.24 -0.28 1.62 -0.22 -1.84 0.00 0.00 175.26 174.78 1j34 h LYS 107 N 3.01 -0.18 -1.11 -4.83 1.63 -1.80 -0.08 116.57 113.21 1j34 h LYS 107 Ca -0.33 0.01 0.31 0.00 -0.85 0.00 0.00 60.65 59.79 1j34 h LYS 107 Cb 1.21 0.04 -0.09 0.00 -0.60 0.00 0.00 32.23 32.78 1j34 h LYS 107 CO 0.49 -0.12 0.72 0.93 -3.45 0.00 0.00 179.45 178.02 1j34 h GLU 108 N -0.19 0.28 -0.61 1.90 4.39 -1.98 0.28 114.58 118.65 1j34 h GLU 108 Ca 0.18 -0.02 -0.28 0.00 0.34 0.00 0.00 59.36 59.58 1j34 h GLU 108 Cb 0.48 -0.06 -0.17 0.00 -0.10 0.00 0.00 28.75 28.90 1j34 h GLU 108 CO -0.49 0.19 0.22 0.25 -1.16 0.00 0.00 179.01 178.02 1j34 n THR 109 N -4.59 2.80 -1.78 1.13 -2.24 -1.03 -4.94 114.28 103.64 1j34 n THR 109 Ca 0.27 -2.23 -0.21 0.00 -2.27 0.00 0.00 64.05 59.61 1j34 n THR 109 Cb 1.02 -0.37 -0.07 0.00 -2.10 0.00 0.00 70.33 68.81 1j34 n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j34 n GLY 110 N -0.93 1.42 2.42 3.38 0.00 0.10 -2.17 105.19 109.40 1j34 n GLY 110 Ca 0.42 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 46.24 1j34 n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1j34 n PHE 111 N -2.76 -0.76 0.18 1.61 3.72 -0.07 -4.82 117.46 114.55 1j34 n PHE 111 Ca -0.22 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.21 1j34 n PHE 111 Cb 0.68 -3.49 -0.03 0.00 -0.94 0.00 0.00 39.48 35.70 1j34 n PHE 111 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1j34 n ARG 112 N -2.70 3.81 -4.18 -1.08 1.74 -0.92 -4.31 116.66 109.02 1j34 n ARG 112 Ca -0.21 -0.01 -0.30 0.00 -0.77 0.00 0.00 57.85 56.56 1j34 n ARG 112 Cb 0.65 -0.86 -0.09 0.00 -1.02 0.00 0.00 32.46 31.14 1j34 n ARG 112 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1j34 s LYS 113 N -1.75 2.32 -0.29 5.56 -0.14 -1.24 -5.02 119.74 119.19 1j34 s LYS 113 Ca 0.01 -0.95 -0.18 0.00 -1.36 0.00 0.00 55.97 53.49 1j34 s LYS 113 Cb 0.04 -2.41 -0.02 0.00 -1.68 0.00 0.00 37.83 33.76 1j34 s LYS 113 CO 0.22 0.52 0.51 -1.58 -0.76 0.00 0.00 175.35 174.26 1j34 s TRP 114 N -1.29 3.24 -0.19 3.18 0.51 -1.26 -4.44 118.94 118.69 1j34 s TRP 114 Ca 0.24 0.49 -0.07 0.00 -2.12 0.00 0.00 56.10 54.64 1j34 s TRP 114 Cb -0.11 -2.79 -0.04 0.00 -0.81 0.00 0.00 33.47 29.72 1j34 s TRP 114 CO 0.16 -0.36 0.06 0.08 -0.51 0.00 0.00 176.95 176.37 1j34 s VAL 115 N 2.34 4.66 -0.03 4.03 1.01 -0.38 -4.89 120.40 127.15 1j34 s VAL 115 Ca 0.20 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 1j34 s VAL 115 Cb -0.15 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 1j34 s VAL 115 CO 0.11 0.44 1.51 0.20 0.00 0.00 0.00 175.10 177.36 1j34 s ASN 116 N 0.58 6.76 0.18 3.32 -0.87 -1.26 -1.34 114.94 122.31 1j34 s ASN 116 Ca 0.03 2.16 -0.05 0.00 -1.57 0.00 0.00 52.86 53.43 1j34 s ASN 116 Cb -0.13 -2.55 -0.03 0.00 -0.02 0.00 0.00 41.25 38.52 1j34 s ASN 116 CO 0.01 -0.82 0.21 0.27 -2.57 0.00 0.00 177.10 174.20 1j34 s ILE 117 N 3.15 0.04 0.07 0.60 -4.36 -0.16 -4.92 121.20 115.62 1j34 s ILE 117 Ca 0.68 -1.73 -0.31 0.00 -0.26 0.00 0.00 60.65 59.03 1j34 s ILE 117 Cb -0.32 -2.18 -0.08 0.00 1.25 0.00 0.00 42.46 41.13 1j34 s ILE 117 CO 0.27 -0.18 1.50 -0.47 0.24 0.00 0.00 174.94 176.30 1j34 s TYR 118 N -4.06 2.83 0.48 1.37 5.04 -1.26 -2.30 117.35 119.44 1j34 s TYR 118 Ca 0.27 0.66 0.37 0.00 -2.44 0.00 0.00 57.07 55.93 1j34 s TYR 118 Cb 0.05 -3.80 1.94 0.00 0.35 0.00 0.00 41.96 40.50 1j34 s TYR 118 CO 0.06 -3.03 2.22 0.00 -1.34 0.00 0.00 175.55 173.45 1j34 n GLY 120 N -0.77 -0.38 3.77 0.00 0.00 -1.26 -1.98 105.19 104.57 1j34 n GLY 120 Ca -0.02 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 1j34 n GLY 120 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1j34 s GLN 121 N -1.97 4.10 -0.37 1.61 0.74 -0.90 -4.77 119.66 118.10 1j34 s GLN 121 Ca 0.40 1.71 -0.16 0.00 0.05 0.00 0.00 55.36 57.36 1j34 s GLN 121 Cb 0.20 -2.64 -0.00 0.00 1.10 0.00 0.00 33.01 31.67 1j34 s GLN 121 CO 0.33 -0.24 0.38 -0.65 -0.55 0.00 0.00 175.29 174.55 1j34 s GLN 122 N -2.35 3.40 0.16 1.67 -0.21 -1.26 -3.78 119.66 117.29 1j34 s GLN 122 Ca 0.57 -0.54 0.02 0.00 0.02 0.00 0.00 55.36 55.43 1j34 s GLN 122 Cb -0.28 -3.86 -0.04 0.00 1.00 0.00 0.00 33.01 29.83 1j34 s GLN 122 CO 0.34 -0.63 -0.01 -0.80 -2.12 0.00 0.00 175.29 172.08 1j34 s ASN 123 N 1.75 1.18 1.03 5.90 0.01 -0.34 -4.60 114.94 119.87 1j34 s ASN 123 Ca 0.12 -1.14 -0.16 0.00 -0.71 0.00 0.00 52.86 50.97 1j34 s ASN 123 Cb -0.17 0.12 0.21 0.00 0.41 0.00 0.00 41.25 41.82 1j34 s ASN 123 CO 0.12 -0.55 1.21 -2.16 -1.51 0.00 0.00 177.10 174.21 1j34 s PRO 124 N -3.90 0.16 0.27 -0.60 0.04 -1.20 -1.88 135.00 127.89 1j34 s PRO 124 Ca 0.21 -0.14 -0.20 0.00 0.04 0.00 0.00 61.00 60.91 1j34 s PRO 124 Cb 0.06 -1.76 0.06 0.00 0.04 0.00 0.00 34.50 32.89 1j34 s PRO 124 CO 0.02 -2.78 0.90 -0.59 0.04 0.00 0.00 177.00 174.59 1j34 s PHE 125 N -3.47 0.03 -0.07 0.56 -0.12 -1.03 -1.69 117.98 112.20 1j34 s PHE 125 Ca 0.71 -0.54 0.02 0.00 -0.05 0.00 0.00 56.93 57.07 1j34 s PHE 125 Cb -0.08 0.75 0.01 0.00 -0.63 0.00 0.00 43.02 43.07 1j34 s PHE 125 CO 0.54 -1.20 -0.13 0.08 -0.05 0.00 0.00 175.22 174.46 1j34 s VAL 126 N -2.57 1.18 0.10 -2.49 1.01 -1.24 -0.27 120.40 116.12 1j34 s VAL 126 Ca 0.17 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1j34 s VAL 126 Cb -0.04 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1j34 s VAL 126 CO 0.07 0.36 0.21 0.00 0.00 0.00 0.00 175.10 175.75 1j34 s GLU 128 N -2.77 0.35 0.00 0.00 2.12 0.66 -1.57 118.70 117.49 1j34 s GLU 128 Ca 0.34 -0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.44 1j34 s GLU 128 Cb -0.12 -0.31 0.00 0.00 0.26 0.00 0.00 34.13 33.96 1j34 s GLU 128 CO 0.27 0.08 0.18 0.00 -0.54 0.00 0.00 175.26 175.25