#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c07 s TRP 10 N 0.00 -0.34 0.00 -1.42 1.48 -1.26 -4.41 118.94 113.00 1c07 s TRP 10 Ca 0.00 0.49 0.00 0.00 -1.06 0.00 0.00 56.10 55.53 1c07 s TRP 10 Cb 0.00 0.48 0.00 0.00 -1.16 0.00 0.00 33.47 32.79 1c07 s TRP 10 CO 0.00 -0.37 0.00 1.33 -4.06 0.00 0.00 176.95 173.85 1c07 n VAL 11 N 0.45 0.00 -1.16 -0.66 0.24 0.42 -4.68 118.33 112.94 1c07 n VAL 11 Ca -0.09 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.18 1c07 n VAL 11 Cb 0.59 -1.72 0.00 0.00 -1.47 0.00 0.00 33.84 31.24 1c07 n VAL 11 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1c07 n VAL 12 N 0.00 -0.28 -0.07 3.34 3.14 -1.26 -4.87 118.33 118.33 1c07 n VAL 12 Ca 0.00 0.01 -0.10 0.00 -2.96 0.00 0.00 64.34 61.29 1c07 n VAL 12 Cb 0.00 -0.26 -0.06 0.00 -1.06 0.00 0.00 33.84 32.46 1c07 n VAL 12 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1c07 n SER 13 N 0.94 2.83 -2.99 6.55 2.88 -1.26 -4.32 113.62 118.24 1c07 n SER 13 Ca -0.01 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1c07 n SER 13 Cb 0.05 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 1c07 n SER 13 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1c07 n PRO 14 N -2.94 2.44 -0.15 -1.46 -0.04 -1.26 -4.50 135.00 127.08 1c07 n PRO 14 Ca -0.25 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.21 1c07 n PRO 14 Cb 0.76 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.23 1c07 n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1c07 n ALA 15 N -3.00 -0.06 -0.35 0.55 0.00 -1.26 -0.43 120.51 115.96 1c07 n ALA 15 Ca 0.00 0.39 -0.09 0.00 0.00 0.00 0.00 53.44 53.74 1c07 n ALA 15 Cb 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 19.45 19.19 1c07 n ALA 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1c07 n GLU 16 N -4.58 -0.37 -0.23 0.00 1.02 -1.26 0.20 120.64 115.42 1c07 n GLU 16 Ca 0.04 1.33 0.09 0.00 -0.02 0.00 0.00 57.16 58.60 1c07 n GLU 16 Cb 0.16 -1.95 0.36 0.00 -0.02 0.00 0.00 31.44 29.98 1c07 n GLU 16 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1c07 h LYS 17 N 0.00 0.72 -0.07 3.49 3.11 -0.94 -1.39 116.57 121.49 1c07 h LYS 17 Ca 0.13 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.92 1c07 h LYS 17 Cb 0.35 -0.16 -0.00 0.00 -1.00 0.00 0.00 32.23 31.41 1c07 h LYS 17 CO -0.79 0.47 -0.01 0.00 -2.81 0.00 0.00 179.45 176.31 1c07 h ALA 18 N 1.60 0.09 -0.52 5.00 0.00 0.23 0.33 119.26 125.99 1c07 h ALA 18 Ca 0.38 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.22 1c07 h ALA 18 Cb 0.47 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1c07 h ALA 18 CO -0.15 -0.21 0.37 -0.22 0.00 0.00 0.00 179.25 179.04 1c07 h LYS 19 N -0.20 0.10 0.15 0.00 3.64 0.14 -1.24 116.57 119.16 1c07 h LYS 19 Ca 0.02 -0.01 -0.33 0.00 -1.27 0.00 0.00 60.65 59.06 1c07 h LYS 19 Cb 0.39 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1c07 h LYS 19 CO 0.01 0.06 -1.68 1.88 -2.27 0.00 0.00 179.45 177.45 1c07 h TYR 20 N 0.10 0.59 -0.58 1.91 0.05 -0.93 -2.81 116.97 115.31 1c07 h TYR 20 Ca 0.25 -0.43 0.01 0.00 0.05 0.00 0.00 58.73 58.61 1c07 h TYR 20 Cb 0.84 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.53 1c07 h TYR 20 CO -0.00 1.55 0.39 0.22 -1.05 0.00 0.00 178.16 179.27 1c07 h ASP 21 N 0.09 0.64 -0.00 3.88 1.82 0.74 1.29 116.42 124.88 1c07 h ASP 21 Ca -0.31 -0.01 -0.24 0.00 -0.39 0.00 0.00 57.03 56.08 1c07 h ASP 21 Cb 2.06 -0.16 0.02 0.00 0.68 0.00 0.00 39.33 41.94 1c07 h ASP 21 CO 0.17 0.46 -0.95 -0.33 -1.61 0.00 0.00 179.24 176.98 1c07 h GLU 22 N 0.75 0.64 -0.34 0.28 5.08 -1.37 -3.23 114.58 116.38 1c07 h GLU 22 Ca 0.22 -0.69 -0.14 0.00 -1.00 0.00 0.00 59.36 57.75 1c07 h GLU 22 Cb -0.03 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1c07 h GLU 22 CO -0.05 1.28 -0.35 0.82 -1.00 0.00 0.00 179.01 179.70 1c07 h ILE 23 N 0.29 1.28 -1.28 3.13 2.04 -1.06 -2.54 117.51 119.36 1c07 h ILE 23 Ca -0.12 -1.52 0.37 0.00 1.00 0.00 0.00 64.86 64.59 1c07 h ILE 23 Cb 1.61 1.40 -0.06 0.00 -0.74 0.00 0.00 36.82 39.02 1c07 h ILE 23 CO 0.19 0.50 0.90 0.15 0.00 0.00 0.00 178.15 179.89 1c07 h PHE 24 N 0.65 0.13 -0.07 1.37 3.57 0.16 2.92 116.94 125.67 1c07 h PHE 24 Ca 0.06 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 1c07 h PHE 24 Cb 0.90 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1c07 h PHE 24 CO 0.05 -0.01 -0.49 -0.07 -2.23 0.00 0.00 178.31 175.56 1c07 h LEU 25 N 0.06 0.20 0.00 0.59 3.38 -1.53 0.82 115.31 118.84 1c07 h LEU 25 Ca 0.64 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.51 1c07 h LEU 25 Cb 2.38 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 43.07 1c07 h LEU 25 CO -0.08 0.67 -0.77 0.11 0.09 0.00 0.00 178.44 178.46 1c07 h LYS 26 N 0.15 0.00 0.00 1.13 1.57 0.45 -3.37 116.57 116.50 1c07 h LYS 26 Ca 0.01 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1c07 h LYS 26 Cb 0.93 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.21 1c07 h LYS 26 CO 0.07 0.00 -1.08 1.15 -0.57 0.00 0.00 179.45 179.02 1c07 h THR 27 N 0.00 0.77 0.00 -0.16 2.02 0.20 -3.38 112.91 112.36 1c07 h THR 27 Ca 0.00 -1.96 -0.30 0.00 0.77 0.00 0.00 66.41 64.92 1c07 h THR 27 Cb 0.80 1.84 -0.00 0.00 -1.74 0.00 0.00 68.15 69.04 1c07 h THR 27 CO 0.00 0.26 1.84 -0.67 0.37 0.00 0.00 175.52 177.32 1c07 n ASP 28 N -4.47 4.40 0.02 4.18 2.03 0.28 -4.25 116.55 118.74 1c07 n ASP 28 Ca -0.27 -2.24 0.20 0.00 0.52 0.00 0.00 54.79 52.99 1c07 n ASP 28 Cb 0.60 -1.02 0.47 0.00 -0.72 0.00 0.00 41.12 40.45 1c07 n ASP 28 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1c07 h LYS 29 N 5.69 0.00 -0.05 -0.67 1.57 -1.77 1.68 116.57 123.01 1c07 h LYS 29 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1c07 h LYS 29 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1c07 h LYS 29 CO 1.12 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 179.75 1c07 n ASP 30 N -3.18 1.49 -3.92 0.86 9.92 -1.26 -4.94 116.55 115.52 1c07 n ASP 30 Ca 0.12 -1.54 -0.30 0.00 -0.53 0.00 0.00 54.79 52.55 1c07 n ASP 30 Cb 1.09 -0.03 -0.01 0.00 -0.64 0.00 0.00 41.12 41.54 1c07 n ASP 30 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1c07 n MET 31 N 0.17 -2.20 -0.40 -1.24 2.81 0.57 -4.86 117.12 111.97 1c07 n MET 31 Ca 0.18 0.36 0.07 0.00 -1.81 0.00 0.00 57.70 56.50 1c07 n MET 31 Cb 0.34 -4.12 0.12 0.00 -0.71 0.00 0.00 33.22 28.85 1c07 n MET 31 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1c07 n ASP 32 N -2.80 1.65 -0.25 7.83 5.68 -1.26 -4.94 116.55 122.45 1c07 n ASP 32 Ca -0.23 -2.99 -0.03 0.00 -0.50 0.00 0.00 54.79 51.03 1c07 n ASP 32 Cb 0.65 -0.40 -0.01 0.00 -1.14 0.00 0.00 41.12 40.21 1c07 n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1c07 n GLY 33 N -0.93 0.43 2.90 6.12 0.00 -1.26 -4.92 105.19 107.54 1c07 n GLY 33 Ca 0.13 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 1c07 n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c07 s PHE 34 N -1.53 -0.81 -0.07 1.61 0.08 -1.26 -3.56 117.98 112.43 1c07 s PHE 34 Ca 0.00 0.71 -0.16 0.00 0.12 0.00 0.00 56.93 57.60 1c07 s PHE 34 Cb 0.00 -0.03 -0.05 0.00 -0.57 0.00 0.00 43.02 42.37 1c07 s PHE 34 CO 0.00 -0.75 0.43 0.54 -0.10 0.00 0.00 175.22 175.33 1c07 s VAL 35 N 2.53 5.13 0.36 -0.44 0.11 -0.47 -4.67 120.40 122.95 1c07 s VAL 35 Ca 0.12 0.86 -0.10 0.00 -2.93 0.00 0.00 61.98 59.92 1c07 s VAL 35 Cb -0.15 -3.75 -0.07 0.00 -1.53 0.00 0.00 36.38 30.88 1c07 s VAL 35 CO -0.18 0.44 0.72 -0.55 -3.33 0.00 0.00 175.10 172.20 1c07 s SER 36 N -0.11 6.56 0.59 3.54 0.15 -1.26 0.20 113.70 123.38 1c07 s SER 36 Ca 0.24 1.08 0.30 0.00 0.70 0.00 0.00 55.95 58.27 1c07 s SER 36 Cb -0.16 -2.30 1.27 0.00 -1.71 0.00 0.00 66.02 63.13 1c07 s SER 36 CO 0.11 -0.32 1.61 1.23 1.20 0.00 0.00 173.24 177.07 1c07 h GLY 37 N 1.56 0.00 1.01 9.45 0.00 -1.90 0.25 103.07 113.44 1c07 h GLY 37 Ca -0.47 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 1c07 h GLY 37 CO 0.65 0.00 0.33 1.41 0.00 0.00 0.00 176.54 178.93 1c07 h LEU 38 N 0.00 0.90 0.00 3.11 4.07 -1.92 0.39 115.31 121.86 1c07 h LEU 38 Ca 0.41 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.24 1c07 h LEU 38 Cb 2.20 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 43.71 1c07 h LEU 38 CO -0.00 0.78 -0.05 -0.33 -1.08 0.00 0.00 178.44 177.76 1c07 h GLU 39 N 0.96 0.00 -0.03 1.13 5.08 -0.79 -3.28 114.58 117.65 1c07 h GLU 39 Ca 0.24 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1c07 h GLU 39 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1c07 h GLU 39 CO -0.03 0.00 0.38 -0.24 -1.00 0.00 0.00 179.01 178.12 1c07 h VAL 40 N -0.82 0.03 0.00 3.13 3.04 -1.59 -3.00 116.25 117.03 1c07 h VAL 40 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1c07 h VAL 40 Cb 0.05 0.63 0.00 0.00 -2.01 0.00 0.00 31.29 29.96 1c07 h VAL 40 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.57 175.42 1c07 n ARG 41 N -2.93 0.00 -0.32 4.17 0.63 0.14 0.16 116.66 118.51 1c07 n ARG 41 Ca -0.01 0.67 0.21 0.00 -0.92 0.00 0.00 57.85 57.80 1c07 n ARG 41 Cb 0.43 -1.34 0.42 0.00 0.45 0.00 0.00 32.46 32.42 1c07 n ARG 41 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1c07 h GLU 42 N 0.00 0.16 -0.55 -0.14 5.08 -1.72 2.24 114.58 119.66 1c07 h GLU 42 Ca 0.00 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1c07 h GLU 42 Cb 0.00 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1c07 h GLU 42 CO 0.00 0.11 0.33 0.82 -1.00 0.00 0.00 179.01 179.27 1c07 h ILE 43 N 0.17 1.07 0.04 3.13 2.04 -0.96 -2.08 117.51 120.92 1c07 h ILE 43 Ca 0.69 -0.23 -0.23 0.00 1.00 0.00 0.00 64.86 66.08 1c07 h ILE 43 Cb 1.57 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1c07 h ILE 43 CO -0.71 0.12 -1.11 -0.26 0.00 0.00 0.00 178.15 176.20 1c07 h PHE 44 N 0.66 0.15 0.00 1.37 0.04 1.13 -3.12 116.94 117.18 1c07 h PHE 44 Ca 0.22 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.88 1c07 h PHE 44 Cb 0.01 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1c07 h PHE 44 CO -0.06 1.09 0.00 -0.07 -0.60 0.00 0.00 178.31 178.67 1c07 h LEU 45 N 0.02 0.00 0.00 1.54 3.38 0.35 0.19 115.31 120.80 1c07 h LEU 45 Ca -0.06 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1c07 h LEU 45 Cb 1.84 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 1c07 h LEU 45 CO 0.15 0.00 -0.26 0.11 0.09 0.00 0.00 178.44 178.53 1c07 h LYS 46 N 0.00 0.00 -0.20 1.13 1.57 -1.32 -3.22 116.57 114.54 1c07 h LYS 46 Ca 0.00 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1c07 h LYS 46 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1c07 h LYS 46 CO 0.00 0.24 0.22 1.79 -0.57 0.00 0.00 179.45 181.14 1c07 h THR 47 N 0.00 0.44 -0.02 -0.16 1.35 -0.75 -3.44 112.91 110.33 1c07 h THR 47 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 1c07 h THR 47 Cb 1.19 0.82 -0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1c07 h THR 47 CO 0.03 0.00 -0.01 0.61 -0.25 0.00 0.00 175.52 175.90 1c07 n GLY 48 N -1.40 0.47 3.92 5.82 0.00 -1.22 -4.97 105.19 107.81 1c07 n GLY 48 Ca 0.02 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 1c07 n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1c07 s LEU 49 N -0.11 3.67 0.17 0.99 1.02 -1.26 -5.03 118.68 118.14 1c07 s LEU 49 Ca 0.00 0.78 -0.31 0.00 0.02 0.00 0.00 54.13 54.63 1c07 s LEU 49 Cb 0.00 -3.71 -0.09 0.00 0.02 0.00 0.00 46.19 42.41 1c07 s LEU 49 CO 0.00 -0.57 1.40 -2.16 0.02 0.00 0.00 176.35 175.04 1c07 s PRO 50 N -4.67 4.32 0.22 1.29 0.04 -1.26 -4.82 135.00 130.12 1c07 s PRO 50 Ca 0.46 2.15 -0.18 0.00 0.04 0.00 0.00 61.00 63.48 1c07 s PRO 50 Cb -0.10 -3.19 0.20 0.00 0.04 0.00 0.00 34.50 31.45 1c07 s PRO 50 CO 0.43 -0.40 1.50 -1.13 0.04 0.00 0.00 177.00 177.44 1c07 n SER 51 N 3.21 -0.67 -0.16 6.66 3.41 -1.26 -0.10 113.62 124.71 1c07 n SER 51 Ca 0.09 1.69 -0.04 0.00 -0.26 0.00 0.00 58.87 60.35 1c07 n SER 51 Cb 0.41 -0.37 0.02 0.00 -0.26 0.00 0.00 64.21 64.02 1c07 n SER 51 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1c07 h THR 52 N 0.00 0.31 -0.09 6.66 2.02 -1.98 0.59 112.91 120.43 1c07 h THR 52 Ca 0.32 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.53 1c07 h THR 52 Cb 0.56 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 1c07 h THR 52 CO -0.95 0.00 -0.12 0.25 0.37 0.00 0.00 175.52 175.06 1c07 h LEU 53 N -0.12 -0.38 -1.00 2.58 5.85 -0.87 1.57 115.31 122.94 1c07 h LEU 53 Ca 0.23 0.07 0.03 0.00 0.84 0.00 0.00 57.88 59.06 1c07 h LEU 53 Cb 0.49 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 1c07 h LEU 53 CO -0.59 -0.17 0.65 -0.07 -0.34 0.00 0.00 178.44 177.93 1c07 h LEU 54 N -0.17 1.10 -0.18 2.25 3.38 -0.26 1.34 115.31 122.77 1c07 h LEU 54 Ca 0.07 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1c07 h LEU 54 Cb 0.27 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1c07 h LEU 54 CO -0.19 0.76 -0.14 0.00 0.09 0.00 0.00 178.44 178.96 1c07 h ALA 55 N 1.40 0.26 0.00 1.53 0.00 0.12 0.31 119.26 122.88 1c07 h ALA 55 Ca 0.39 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1c07 h ALA 55 Cb -0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1c07 h ALA 55 CO -0.12 0.13 -0.14 1.25 0.00 0.00 0.00 179.25 180.37 1c07 h HIS 56 N 0.08 0.00 0.00 0.00 -0.00 0.29 -0.35 115.15 115.17 1c07 h HIS 56 Ca 0.03 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 60.24 1c07 h HIS 56 Cb 0.66 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.04 1c07 h HIS 56 CO 0.07 0.14 -0.80 0.82 -0.00 0.00 0.00 177.93 178.17 1c07 h ILE 57 N 0.00 1.31 -0.09 6.26 2.04 0.22 -2.83 117.51 124.42 1c07 h ILE 57 Ca -0.00 -2.86 -0.03 0.00 1.00 0.00 0.00 64.86 62.97 1c07 h ILE 57 Cb 0.39 2.64 -0.00 0.00 -0.74 0.00 0.00 36.82 39.11 1c07 h ILE 57 CO 0.02 0.75 -0.05 -0.25 0.00 0.00 0.00 178.15 178.61 1c07 h TRP 58 N 0.00 0.23 0.00 1.37 2.91 0.13 -1.20 115.95 119.40 1c07 h TRP 58 Ca -0.02 -0.06 -0.01 0.00 1.13 0.00 0.00 58.89 59.93 1c07 h TRP 58 Cb 1.60 -0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 30.20 1c07 h TRP 58 CO 0.00 0.57 -0.06 1.03 -1.03 0.00 0.00 178.44 178.95 1c07 h SER 59 N -0.17 0.00 -0.13 2.65 0.87 -1.41 1.73 113.55 117.09 1c07 h SER 59 Ca 0.02 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 1c07 h SER 59 Cb 0.52 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1c07 h SER 59 CO 0.02 0.06 -0.04 0.25 -0.53 0.00 0.00 176.83 176.59 1c07 h LEU 60 N 0.00 0.26 0.12 2.23 5.85 -1.19 -3.23 115.31 119.36 1c07 h LEU 60 Ca -0.00 -0.38 -0.28 0.00 0.84 0.00 0.00 57.88 58.06 1c07 h LEU 60 Cb 0.12 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1c07 h LEU 60 CO 0.01 0.58 -1.30 0.00 -0.34 0.00 0.00 178.44 177.38 1c07 n ASP 62 N -3.51 2.35 0.20 0.00 -0.08 0.58 -4.48 116.55 111.62 1c07 n ASP 62 Ca -0.10 -2.13 0.04 0.00 -1.51 0.00 0.00 54.79 51.09 1c07 n ASP 62 Cb 1.03 -0.77 0.45 0.00 2.34 0.00 0.00 41.12 44.17 1c07 n ASP 62 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1c07 h THR 63 N 3.66 1.17 0.00 5.18 1.35 -1.76 -1.28 112.91 121.24 1c07 h THR 63 Ca 0.23 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1c07 h THR 63 Cb 0.10 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1c07 h THR 63 CO 1.17 0.23 0.00 0.29 -0.25 0.00 0.00 175.52 176.96 1c07 n LYS 64 N -4.26 0.03 -4.11 4.72 4.01 -1.26 -4.86 118.16 112.43 1c07 n LYS 64 Ca -0.02 0.37 -0.36 0.00 -0.51 0.00 0.00 58.31 57.79 1c07 n LYS 64 Cb 0.29 -1.57 -0.03 0.00 -0.51 0.00 0.00 35.03 33.21 1c07 n LYS 64 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1c07 n ASP 65 N -1.62 -1.84 0.00 4.39 2.03 -0.48 -4.83 116.55 114.20 1c07 n ASP 65 Ca 0.02 -1.22 0.00 0.00 0.52 0.00 0.00 54.79 54.11 1c07 n ASP 65 Cb 0.11 -2.02 0.00 0.00 -0.72 0.00 0.00 41.12 38.49 1c07 n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1c07 n GLY 67 N -0.23 1.88 0.30 0.00 0.00 -1.26 -5.00 105.19 100.89 1c07 n GLY 67 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1c07 n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1c07 n LYS 68 N -2.00 1.81 -4.01 1.61 5.02 -1.26 -4.23 118.16 115.11 1c07 n LYS 68 Ca 0.00 -0.31 -0.31 0.00 -2.02 0.00 0.00 58.31 55.67 1c07 n LYS 68 Cb 0.00 0.09 -0.15 0.00 -0.02 0.00 0.00 35.03 34.95 1c07 n LYS 68 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1c07 s LEU 69 N 0.00 3.12 0.00 -0.35 0.20 0.55 -4.76 118.68 117.43 1c07 s LEU 69 Ca 0.00 -1.34 -0.21 0.00 0.69 0.00 0.00 54.13 53.28 1c07 s LEU 69 Cb 0.00 -1.39 0.32 0.00 -0.43 0.00 0.00 46.19 44.69 1c07 s LEU 69 CO 0.00 -0.22 0.78 -1.20 -0.29 0.00 0.00 176.35 175.42 1c07 n SER 70 N 4.53 -3.56 0.00 3.68 7.64 -1.26 -1.37 113.62 123.27 1c07 n SER 70 Ca -0.12 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1c07 n SER 70 Cb 0.43 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 1c07 n SER 70 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1c07 n LYS 71 N -5.14 0.00 -0.08 1.43 4.76 -1.23 -1.51 118.16 116.39 1c07 n LYS 71 Ca 0.12 0.00 0.25 0.00 -2.87 0.00 0.00 58.31 55.81 1c07 n LYS 71 Cb 0.51 -0.80 0.59 0.00 -1.84 0.00 0.00 35.03 33.50 1c07 n LYS 71 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1c07 h ASP 72 N 0.00 0.00 0.40 4.39 5.19 -1.94 0.18 116.42 124.64 1c07 h ASP 72 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 1c07 h ASP 72 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1c07 h ASP 72 CO 0.00 0.00 -0.19 1.56 -3.12 0.00 0.00 179.24 177.49 1c07 h GLN 73 N 0.00 -0.52 -0.11 3.56 4.20 -1.81 -2.55 115.11 117.88 1c07 h GLN 73 Ca 0.36 0.04 0.03 0.00 0.06 0.00 0.00 58.65 59.14 1c07 h GLN 73 Cb 2.08 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 29.97 1c07 h GLN 73 CO -0.00 -0.22 0.39 0.35 -0.67 0.00 0.00 178.83 178.68 1c07 h PHE 74 N -0.98 0.00 0.00 2.96 3.04 0.14 1.97 116.94 124.07 1c07 h PHE 74 Ca -0.06 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.89 1c07 h PHE 74 Cb 0.55 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.06 1c07 h PHE 74 CO 0.02 0.00 -0.29 0.00 -2.02 0.00 0.00 178.31 176.02 1c07 n ALA 75 N -1.98 3.04 -0.05 2.41 0.00 -1.03 -3.84 120.51 119.06 1c07 n ALA 75 Ca 0.00 -0.25 -0.22 0.00 0.00 0.00 0.00 53.44 52.98 1c07 n ALA 75 Cb 0.47 -1.27 -0.13 0.00 0.00 0.00 0.00 19.45 18.53 1c07 n ALA 75 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1c07 n LEU 76 N -1.51 2.39 0.09 0.00 7.94 0.66 -3.58 117.00 123.00 1c07 n LEU 76 Ca 0.06 0.26 0.11 0.00 -1.11 0.00 0.00 56.01 55.33 1c07 n LEU 76 Cb 0.34 -1.04 0.59 0.00 0.53 0.00 0.00 43.42 43.83 1c07 n LEU 76 CO 0.32 0.67 1.13 0.00 -1.11 0.00 0.00 177.39 178.40 1c07 h ALA 77 N -0.16 2.07 -0.12 1.96 0.00 -1.58 0.02 119.26 121.45 1c07 h ALA 77 Ca -0.43 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.30 1c07 h ALA 77 Cb 1.78 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1c07 h ALA 77 CO -0.04 -0.13 -0.64 0.74 0.00 0.00 0.00 179.25 179.17 1c07 h PHE 78 N 0.17 0.58 -0.25 0.00 -1.00 -1.71 -2.12 116.94 112.60 1c07 h PHE 78 Ca 0.14 -0.23 0.07 0.00 2.81 0.00 0.00 57.97 60.76 1c07 h PHE 78 Cb 0.33 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.78 1c07 h PHE 78 CO -0.00 0.97 0.38 1.25 -1.61 0.00 0.00 178.31 179.30 1c07 h HIS 79 N 0.32 0.00 0.07 -0.55 -0.00 -1.04 0.87 115.15 114.82 1c07 h HIS 79 Ca -0.01 0.00 -0.36 0.00 -0.00 0.00 0.00 60.37 60.00 1c07 h HIS 79 Cb 1.20 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.57 1c07 h HIS 79 CO 0.04 0.00 -2.04 1.28 -0.00 0.00 0.00 177.93 177.21 1c07 n LEU 80 N -3.45 2.56 0.18 0.26 4.77 -0.99 -4.03 117.00 116.30 1c07 n LEU 80 Ca 0.04 0.17 -0.15 0.00 -0.03 0.00 0.00 56.01 56.04 1c07 n LEU 80 Cb 0.51 -1.03 -0.07 0.00 -2.33 0.00 0.00 43.42 40.50 1c07 n LEU 80 CO 0.23 0.77 0.63 0.40 -1.33 0.00 0.00 177.39 178.09 1c07 h ILE 81 N -0.18 0.27 -0.88 -0.08 1.08 -0.40 -2.15 117.51 115.17 1c07 h ILE 81 Ca -0.47 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.22 1c07 h ILE 81 Cb 1.87 0.27 -0.16 0.00 -3.07 0.00 0.00 36.82 35.73 1c07 h ILE 81 CO -0.03 0.00 0.05 -1.28 -0.69 0.00 0.00 178.15 176.19 1c07 h SER 82 N -0.67 -0.36 -0.21 1.72 0.87 -1.11 1.54 113.55 115.32 1c07 h SER 82 Ca -0.00 0.24 0.06 0.00 -1.23 0.00 0.00 61.79 60.85 1c07 h SER 82 Cb 0.64 0.40 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 1c07 h SER 82 CO -0.12 -0.25 0.28 1.56 -0.53 0.00 0.00 176.83 177.77 1c07 h GLN 83 N 0.08 0.00 0.00 2.24 4.20 -1.53 0.20 115.11 120.30 1c07 h GLN 83 Ca 0.52 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.23 1c07 h GLN 83 Cb 1.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1c07 h GLN 83 CO -0.78 0.00 -0.95 1.17 -0.67 0.00 0.00 178.83 177.60 1c07 n LYS 84 N -3.62 0.52 -0.08 1.46 3.00 0.52 0.29 118.16 120.26 1c07 n LYS 84 Ca 0.02 0.10 -0.22 0.00 -0.00 0.00 0.00 58.31 58.21 1c07 n LYS 84 Cb 0.40 -1.78 -0.12 0.00 0.00 0.00 0.00 35.03 33.53 1c07 n LYS 84 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1c07 n LEU 85 N -2.51 2.10 -0.01 3.14 4.77 0.59 -3.76 117.00 121.34 1c07 n LEU 85 Ca 0.01 0.35 0.06 0.00 -0.03 0.00 0.00 56.01 56.40 1c07 n LEU 85 Cb 0.52 -1.00 -0.09 0.00 -2.33 0.00 0.00 43.42 40.51 1c07 n LEU 85 CO 0.39 0.47 -0.58 -0.38 -1.33 0.00 0.00 177.39 175.97 1c07 n ILE 86 N -4.13 0.00 0.13 -0.08 2.08 -0.55 -4.60 119.36 112.21 1c07 n ILE 86 Ca -0.34 -0.28 0.06 0.00 0.56 0.00 0.00 62.75 62.75 1c07 n ILE 86 Cb 0.80 0.30 -0.08 0.00 -0.75 0.00 0.00 39.64 39.92 1c07 n ILE 86 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1c07 n LYS 87 N -1.86 1.15 -1.06 0.38 4.76 -1.00 -4.97 118.16 115.56 1c07 n LYS 87 Ca -0.02 -0.08 -0.02 0.00 -2.87 0.00 0.00 58.31 55.33 1c07 n LYS 87 Cb 0.31 -1.20 -0.01 0.00 -1.84 0.00 0.00 35.03 32.29 1c07 n LYS 87 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1c07 n GLY 88 N 1.70 0.42 3.85 0.72 0.00 0.77 -4.88 105.19 107.77 1c07 n GLY 88 Ca -0.01 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 1c07 n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c07 s ILE 89 N -1.66 5.03 0.19 -0.61 1.01 0.83 -4.79 121.20 121.21 1c07 s ILE 89 Ca 0.00 0.74 -0.03 0.00 0.00 0.00 0.00 60.65 61.36 1c07 s ILE 89 Cb 0.00 -3.70 0.04 0.00 0.01 0.00 0.00 42.46 38.82 1c07 s ILE 89 CO 0.00 0.47 0.26 0.47 0.00 0.00 0.00 174.94 176.14 1c07 n ASP 90 N 1.47 0.06 -4.85 3.58 8.00 -1.26 -1.98 116.55 121.56 1c07 n ASP 90 Ca -0.11 -1.12 -0.31 0.00 0.71 0.00 0.00 54.79 53.96 1c07 n ASP 90 Cb 0.52 -0.20 0.01 0.00 -0.02 0.00 0.00 41.12 41.44 1c07 n ASP 90 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1c07 s PRO 91 N -3.50 3.46 0.00 -0.24 0.04 -1.26 -4.86 135.00 128.64 1c07 s PRO 91 Ca 0.15 0.86 -0.03 0.00 0.04 0.00 0.00 61.00 62.02 1c07 s PRO 91 Cb -0.00 -2.06 -0.12 0.00 0.04 0.00 0.00 34.50 32.35 1c07 s PRO 91 CO 0.11 -0.68 2.15 -0.35 0.04 0.00 0.00 177.00 178.26 1c07 n PRO 92 N -2.65 1.10 0.00 0.56 -0.04 -1.26 -4.84 135.00 127.87 1c07 n PRO 92 Ca 0.07 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.07 1c07 n PRO 92 Cb 0.54 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1c07 n PRO 92 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1c07 n HIS 93 N 2.38 0.00 -3.04 0.54 8.25 -1.26 -4.54 115.22 117.55 1c07 n HIS 93 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1c07 n HIS 93 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 1c07 n HIS 93 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1c07 n VAL 94 N 0.00 0.00 -3.54 1.59 0.24 -1.26 -4.94 118.33 110.42 1c07 n VAL 94 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.11 1c07 n VAL 94 Cb 0.00 -0.14 -0.01 0.00 -1.47 0.00 0.00 33.84 32.22 1c07 n VAL 94 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1c07 s LEU 95 N 0.00 4.03 0.00 1.34 2.01 -1.26 -5.02 118.68 119.77 1c07 s LEU 95 Ca 0.00 -0.12 0.02 0.00 0.01 0.00 0.00 54.13 54.04 1c07 s LEU 95 Cb 0.00 -2.79 -0.01 0.00 0.01 0.00 0.00 46.19 43.40 1c07 s LEU 95 CO 0.00 -0.37 0.09 0.35 1.01 0.00 0.00 176.35 177.43 1c07 n THR 96 N -1.61 0.00 1.12 5.49 -2.24 -1.26 -5.00 114.28 110.78 1c07 n THR 96 Ca -0.02 -1.96 0.11 0.00 -2.27 0.00 0.00 64.05 59.92 1c07 n THR 96 Cb 0.58 0.63 0.59 0.00 -2.10 0.00 0.00 70.33 70.02 1c07 n THR 96 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1c07 n PRO 97 N -0.83 0.36 0.03 -0.78 -0.04 -1.26 -2.09 135.00 130.40 1c07 n PRO 97 Ca -0.08 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.56 1c07 n PRO 97 Cb 0.51 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 1c07 n PRO 97 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1c07 n GLU 98 N -1.26 0.53 -0.04 0.54 1.02 -1.26 -4.24 120.64 115.93 1c07 n GLU 98 Ca 0.11 -0.06 -0.16 0.00 -0.02 0.00 0.00 57.16 57.03 1c07 n GLU 98 Cb 0.17 -1.62 -0.14 0.00 -0.02 0.00 0.00 31.44 29.84 1c07 n GLU 98 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1c07 n MET 99 N -2.27 0.70 -1.76 3.49 2.81 -0.98 0.16 117.12 119.27 1c07 n MET 99 Ca -0.01 0.22 -0.42 0.00 -1.81 0.00 0.00 57.70 55.67 1c07 n MET 99 Cb 0.52 -1.67 -0.03 0.00 -0.71 0.00 0.00 33.22 31.33 1c07 n MET 99 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1c07 s ILE 100 N -2.55 2.27 0.33 2.02 1.01 -0.89 -4.90 121.20 118.50 1c07 s ILE 100 Ca -0.19 0.10 -0.28 0.00 0.00 0.00 0.00 60.65 60.28 1c07 s ILE 100 Cb 0.07 -3.07 -0.10 0.00 0.01 0.00 0.00 42.46 39.38 1c07 s ILE 100 CO 0.76 0.01 1.21 -2.16 0.00 0.00 0.00 174.94 174.75 1c07 s PRO 101 N 1.61 4.37 0.00 2.79 0.04 -1.26 -4.94 135.00 137.60 1c07 s PRO 101 Ca 0.76 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.79 1c07 s PRO 101 Cb -0.48 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1c07 s PRO 101 CO 0.33 -0.10 0.00 -0.35 0.04 0.00 0.00 177.00 176.92 1c07 n PRO 102 N 0.74 0.00 0.00 0.56 -0.04 -1.26 -5.15 135.00 129.85 1c07 n PRO 102 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1c07 n PRO 102 Cb 0.44 -0.09 0.00 0.00 -0.04 0.00 0.00 33.50 33.81 1c07 n PRO 102 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89