#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c07 n TRP 10 N 0.00 0.00 0.59 4.78 -0.00 -0.76 -4.47 117.44 117.58 1c07 n TRP 10 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.63 1c07 n TRP 10 Cb 0.00 0.00 0.42 0.00 -0.00 0.00 0.00 31.31 31.73 1c07 n TRP 10 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 1c07 n VAL 11 N 0.00 0.63 -3.18 5.87 0.24 -0.07 -4.15 118.33 117.67 1c07 n VAL 11 Ca 0.00 -0.19 -0.22 0.00 -2.04 0.00 0.00 64.34 61.89 1c07 n VAL 11 Cb 0.00 -0.69 -0.06 0.00 -1.47 0.00 0.00 33.84 31.62 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 -2.25 -0.57 -0.07 3.34 3.14 -1.26 -4.93 118.33 115.73 1c07 n VAL 12 Ca 0.05 -4.08 -0.04 0.00 -2.96 0.00 0.00 64.34 57.30 1c07 n VAL 12 Cb 0.39 -1.52 -0.13 0.00 -1.06 0.00 0.00 33.84 31.52 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 1.17 0.87 -3.19 6.55 2.88 -1.26 -3.45 113.62 117.19 1c07 n SER 13 Ca 0.22 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1c07 n SER 13 Cb 0.56 1.11 0.00 0.00 -0.75 0.00 0.00 64.21 65.13 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 -2.51 1.70 -0.19 -1.46 -0.04 -1.26 -4.43 135.00 126.81 1c07 n PRO 14 Ca -0.22 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.21 1c07 n PRO 14 Cb 0.92 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.36 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 -0.19 -0.27 0.55 0.00 -1.26 -0.45 120.51 115.90 1c07 n ALA 15 Ca 0.00 0.44 -0.07 0.00 0.00 0.00 0.00 53.44 53.81 1c07 n ALA 15 Cb 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 19.45 19.25 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 -4.65 -0.28 -0.25 0.00 1.02 -1.26 0.51 120.64 115.73 1c07 n GLU 16 Ca 0.03 1.31 0.06 0.00 -0.02 0.00 0.00 57.16 58.54 1c07 n GLU 16 Cb 0.15 -1.94 0.18 0.00 -0.02 0.00 0.00 31.44 29.82 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 0.22 -0.35 3.49 3.11 -0.78 0.12 116.57 122.38 1c07 h LYS 17 Ca 0.10 -0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.90 1c07 h LYS 17 Cb 0.26 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.42 1c07 h LYS 17 CO -0.59 0.15 0.10 0.00 -2.81 0.00 0.00 179.45 176.29 1c07 h ALA 18 N 1.63 0.46 0.00 5.00 0.00 -0.30 0.81 119.26 126.87 1c07 h ALA 18 Ca 0.42 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1c07 h ALA 18 Cb 0.73 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1c07 h ALA 18 CO -0.54 0.12 -0.04 -0.22 0.00 0.00 0.00 179.25 178.56 1c07 h LYS 19 N 0.42 0.00 0.02 0.00 3.11 0.20 -2.45 116.57 117.87 1c07 h LYS 19 Ca 0.11 0.00 -0.24 0.00 -2.81 0.00 0.00 60.65 57.71 1c07 h LYS 19 Cb 0.28 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.48 1c07 h LYS 19 CO -0.00 0.04 -1.32 1.88 -2.81 0.00 0.00 179.45 177.25 1c07 h TYR 20 N 0.00 0.08 -1.14 1.91 0.05 -0.26 -3.20 116.97 114.41 1c07 h TYR 20 Ca -0.00 -0.06 0.32 0.00 0.05 0.00 0.00 58.73 59.04 1c07 h TYR 20 Cb 0.09 -0.00 -0.09 0.00 1.01 0.00 0.00 36.73 37.74 1c07 h TYR 20 CO 0.00 1.52 0.76 -0.44 -1.05 0.00 0.00 178.16 178.94 1c07 h ASP 21 N -0.83 0.30 0.29 3.88 5.19 0.77 1.05 116.42 127.07 1c07 h ASP 21 Ca -0.34 0.07 -0.22 0.00 -0.62 0.00 0.00 57.03 55.92 1c07 h ASP 21 Cb 1.41 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.95 1c07 h ASP 21 CO -0.15 0.01 -0.91 -0.33 -3.12 0.00 0.00 179.24 174.73 1c07 h GLU 22 N 0.24 0.44 -0.36 3.56 5.08 -1.58 -3.20 114.58 118.76 1c07 h GLU 22 Ca 0.64 -0.45 -0.16 0.00 -1.00 0.00 0.00 59.36 58.39 1c07 h GLU 22 Cb 1.93 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.29 1c07 h GLU 22 CO -0.25 1.11 -0.40 0.82 -1.00 0.00 0.00 179.01 179.29 1c07 h ILE 23 N 0.26 1.27 -1.10 3.13 2.04 0.86 -2.65 117.51 121.33 1c07 h ILE 23 Ca -0.07 -1.57 0.30 0.00 1.00 0.00 0.00 64.86 64.51 1c07 h ILE 23 Cb 1.54 1.41 -0.07 0.00 -0.74 0.00 0.00 36.82 38.96 1c07 h ILE 23 CO 0.16 0.52 0.74 0.15 0.00 0.00 0.00 178.15 179.73 1c07 h PHE 24 N 0.72 0.35 0.00 1.37 3.04 -0.10 2.94 116.94 125.27 1c07 h PHE 24 Ca 0.06 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.98 1c07 h PHE 24 Cb 0.98 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.38 1c07 h PHE 24 CO 0.06 0.02 -0.21 -0.07 -2.02 0.00 0.00 178.31 176.09 1c07 h LEU 25 N 0.20 0.00 0.00 0.59 3.38 -1.53 0.23 115.31 118.18 1c07 h LEU 25 Ca 0.58 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.55 1c07 h LEU 25 Cb 1.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1c07 h LEU 25 CO -0.17 0.21 -1.20 0.29 0.09 0.00 0.00 178.44 177.66 1c07 n LYS 26 N -3.62 0.18 -0.09 1.13 5.02 0.89 -4.47 118.16 117.21 1c07 n LYS 26 Ca -0.01 -0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.09 1c07 n LYS 26 Cb 0.34 -1.51 -0.07 0.00 -0.02 0.00 0.00 35.03 33.77 1c07 n LYS 26 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1c07 h THR 27 N 0.00 0.50 -0.51 -0.18 2.02 0.20 -3.42 112.91 111.52 1c07 h THR 27 Ca 0.00 -1.65 -0.11 0.00 0.77 0.00 0.00 66.41 65.42 1c07 h THR 27 Cb 0.64 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 1c07 h THR 27 CO 0.00 0.17 0.29 -0.62 0.37 0.00 0.00 175.52 175.73 1c07 s ASP 28 N -6.35 4.32 0.29 4.18 2.15 0.73 -4.48 116.67 117.50 1c07 s ASP 28 Ca -0.22 -0.17 0.24 0.00 0.43 0.00 0.00 52.55 52.82 1c07 s ASP 28 Cb 0.04 -2.55 0.38 0.00 -0.30 0.00 0.00 42.92 40.49 1c07 s ASP 28 CO 0.42 -3.48 1.48 0.11 -0.17 0.00 0.00 175.17 173.53 1c07 h LYS 29 N 12.35 0.00 -0.55 4.34 6.56 -1.87 -3.28 116.57 134.12 1c07 h LYS 29 Ca 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 1c07 h LYS 29 Cb 1.01 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.67 1c07 h LYS 29 CO 1.08 0.00 0.00 -0.40 -2.06 0.00 0.00 179.45 178.07 1c07 n ASP 30 N -2.66 2.91 -3.40 0.86 5.75 -1.26 -4.90 116.55 113.85 1c07 n ASP 30 Ca 0.03 -2.18 -0.25 0.00 -0.01 0.00 0.00 54.79 52.39 1c07 n ASP 30 Cb 0.50 -0.40 0.01 0.00 -1.03 0.00 0.00 41.12 40.20 1c07 n ASP 30 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1c07 n MET 31 N 0.70 -4.30 -0.48 0.11 2.81 -1.24 -4.84 117.12 109.88 1c07 n MET 31 Ca 0.16 0.62 0.05 0.00 -1.81 0.00 0.00 57.70 56.72 1c07 n MET 31 Cb 0.53 -5.41 0.22 0.00 -0.71 0.00 0.00 33.22 27.85 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 -2.48 3.25 -2.03 7.83 5.75 -1.26 -4.91 116.55 122.70 1c07 n ASP 32 Ca -0.03 -3.24 -0.08 0.00 -0.01 0.00 0.00 54.79 51.43 1c07 n ASP 32 Cb 0.56 -0.55 -0.02 0.00 -1.03 0.00 0.00 41.12 40.08 1c07 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1c07 n GLY 33 N -0.83 -0.04 2.87 6.12 0.00 -1.26 -4.84 105.19 107.21 1c07 n GLY 33 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.16 -0.86 -0.16 1.61 0.08 -1.26 -4.21 117.98 111.02 1c07 s PHE 34 Ca 0.00 0.25 -0.21 0.00 0.12 0.00 0.00 56.93 57.09 1c07 s PHE 34 Cb 0.00 -0.21 -0.03 0.00 -0.57 0.00 0.00 43.02 42.21 1c07 s PHE 34 CO 0.00 -0.94 0.63 0.54 -0.10 0.00 0.00 175.22 175.35 1c07 s VAL 35 N 2.50 5.04 0.51 -0.44 0.11 -0.36 -4.63 120.40 123.14 1c07 s VAL 35 Ca 0.10 1.21 -0.11 0.00 -2.93 0.00 0.00 61.98 60.26 1c07 s VAL 35 Cb -0.13 -3.95 -0.05 0.00 -1.53 0.00 0.00 36.38 30.72 1c07 s VAL 35 CO -0.29 0.16 0.90 -0.94 -3.33 0.00 0.00 175.10 171.60 1c07 s SER 36 N 1.06 6.39 0.60 3.54 1.04 -1.26 0.08 113.70 125.15 1c07 s SER 36 Ca 0.30 1.27 0.27 0.00 0.48 0.00 0.00 55.95 58.27 1c07 s SER 36 Cb -0.16 -2.39 1.12 0.00 0.10 0.00 0.00 66.02 64.69 1c07 s SER 36 CO 0.12 -0.63 1.52 1.23 0.98 0.00 0.00 173.24 176.46 1c07 h GLY 37 N 0.44 0.00 0.96 7.32 0.00 -1.93 0.94 103.07 110.81 1c07 h GLY 37 Ca -0.46 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.88 1c07 h GLY 37 CO 0.62 0.00 0.11 1.41 0.00 0.00 0.00 176.54 178.68 1c07 h LEU 38 N 0.00 0.18 0.05 3.11 4.07 -1.96 0.55 115.31 121.32 1c07 h LEU 38 Ca 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.33 1c07 h LEU 38 Cb 2.24 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 43.94 1c07 h LEU 38 CO -0.00 0.14 -0.03 -0.33 -1.08 0.00 0.00 178.44 177.14 1c07 h GLU 39 N 0.23 -0.07 0.00 1.13 5.08 -1.10 -3.23 114.58 116.62 1c07 h GLU 39 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1c07 h GLU 39 Cb -0.01 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1c07 h GLU 39 CO -0.03 0.15 0.13 -0.24 -1.00 0.00 0.00 179.01 178.02 1c07 h VAL 40 N -1.01 0.00 0.00 3.13 3.04 -1.60 -3.20 116.25 116.62 1c07 h VAL 40 Ca -0.01 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 1c07 h VAL 40 Cb 0.25 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.11 1c07 h VAL 40 CO 0.01 0.00 0.00 -1.14 -1.01 0.00 0.00 177.57 175.43 1c07 n ARG 41 N -2.48 0.00 -0.42 4.17 0.63 0.19 0.19 116.66 118.93 1c07 n ARG 41 Ca -0.02 0.37 0.36 0.00 -0.92 0.00 0.00 57.85 57.65 1c07 n ARG 41 Cb 0.17 -1.12 0.64 0.00 0.45 0.00 0.00 32.46 32.59 1c07 n ARG 41 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1c07 h GLU 42 N 0.00 0.05 0.08 -0.14 4.81 -1.74 1.65 114.58 119.29 1c07 h GLU 42 Ca 0.00 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1c07 h GLU 42 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1c07 h GLU 42 CO 0.00 0.03 -0.04 0.82 -0.73 0.00 0.00 179.01 179.10 1c07 h ILE 43 N 0.05 1.07 -0.18 2.32 2.04 -1.26 -2.60 117.51 118.95 1c07 h ILE 43 Ca 0.84 -0.52 -0.19 0.00 1.00 0.00 0.00 64.86 65.99 1c07 h ILE 43 Cb 2.55 1.41 0.01 0.00 -0.74 0.00 0.00 36.82 40.05 1c07 h ILE 43 CO -0.52 0.13 -0.62 -0.26 0.00 0.00 0.00 178.15 176.88 1c07 h PHE 44 N -0.34 0.97 -0.44 1.37 0.04 1.02 -2.79 116.94 116.76 1c07 h PHE 44 Ca -0.01 -0.40 0.13 0.00 2.80 0.00 0.00 57.97 60.49 1c07 h PHE 44 Cb 0.29 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 1c07 h PHE 44 CO 0.00 1.21 0.62 -0.07 -0.60 0.00 0.00 178.31 179.48 1c07 h LEU 45 N 0.45 0.00 -1.07 1.54 3.38 0.19 1.91 115.31 121.71 1c07 h LEU 45 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1c07 h LEU 45 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1c07 h LEU 45 CO 0.13 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.77 1c07 h LYS 46 N 0.00 0.00 0.00 1.13 1.57 -1.17 -2.84 116.57 115.26 1c07 h LYS 46 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1c07 h LYS 46 Cb 1.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.76 1c07 h LYS 46 CO -0.00 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.13 1c07 n THR 47 N -3.06 1.06 -1.47 -0.16 -2.24 0.65 -4.81 114.28 104.24 1c07 n THR 47 Ca 0.02 0.49 -0.04 0.00 -2.27 0.00 0.00 64.05 62.25 1c07 n THR 47 Cb 0.36 -1.45 -0.01 0.00 -2.10 0.00 0.00 70.33 67.13 1c07 n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c07 n GLY 48 N -0.75 0.50 3.98 3.38 0.00 -1.07 -4.83 105.19 106.40 1c07 n GLY 48 Ca 0.00 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.96 4.05 0.28 0.99 1.02 -1.26 -5.08 118.68 117.72 1c07 s LEU 49 Ca 0.00 -0.13 -0.29 0.00 0.02 0.00 0.00 54.13 53.73 1c07 s LEU 49 Cb 0.00 -2.77 -0.09 0.00 0.02 0.00 0.00 46.19 43.35 1c07 s LEU 49 CO 0.00 -0.34 1.04 -2.16 0.02 0.00 0.00 176.35 174.91 1c07 s PRO 50 N -4.12 4.65 0.26 1.29 0.04 -1.26 -4.91 135.00 130.96 1c07 s PRO 50 Ca 0.42 1.67 -0.03 0.00 0.04 0.00 0.00 61.00 63.10 1c07 s PRO 50 Cb -0.09 -3.14 0.55 0.00 0.04 0.00 0.00 34.50 31.85 1c07 s PRO 50 CO 0.31 0.27 1.63 1.03 0.04 0.00 0.00 177.00 180.28 1c07 h SER 51 N 3.76 -0.25 0.12 6.66 0.87 -1.99 -0.67 113.55 122.05 1c07 h SER 51 Ca -0.46 0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.31 1c07 h SER 51 Cb 1.21 0.33 -0.02 0.00 -0.44 0.00 0.00 62.40 63.48 1c07 h SER 51 CO 0.67 -0.18 -0.17 0.74 -0.53 0.00 0.00 176.83 177.36 1c07 h THR 52 N 0.13 0.62 -0.91 2.23 2.02 -1.99 0.35 112.91 115.37 1c07 h THR 52 Ca 0.47 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.79 1c07 h THR 52 Cb 0.88 0.62 -0.09 0.00 -1.74 0.00 0.00 68.15 67.83 1c07 h THR 52 CO -0.68 0.00 0.52 0.25 0.37 0.00 0.00 175.52 175.98 1c07 h LEU 53 N -0.34 0.70 -0.52 2.58 5.85 -1.53 0.59 115.31 122.63 1c07 h LEU 53 Ca 0.02 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 1c07 h LEU 53 Cb 0.34 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1c07 h LEU 53 CO -0.08 0.33 0.00 -0.07 -0.34 0.00 0.00 178.44 178.28 1c07 h LEU 54 N 0.77 0.91 -0.67 2.25 3.38 -0.73 1.39 115.31 122.61 1c07 h LEU 54 Ca 0.48 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1c07 h LEU 54 Cb 0.59 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1c07 h LEU 54 CO -0.32 0.99 0.20 0.00 0.09 0.00 0.00 178.44 179.41 1c07 h ALA 55 N 0.95 0.88 -0.17 1.53 0.00 0.99 0.97 119.26 124.41 1c07 h ALA 55 Ca 0.15 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1c07 h ALA 55 Cb 0.53 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1c07 h ALA 55 CO 0.03 0.57 -0.50 1.25 0.00 0.00 0.00 179.25 180.59 1c07 h HIS 56 N 0.98 0.57 0.00 0.00 -0.00 0.52 -2.22 115.15 115.00 1c07 h HIS 56 Ca 0.22 -0.19 -0.04 0.00 -0.00 0.00 0.00 60.37 60.36 1c07 h HIS 56 Cb 0.31 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.61 1c07 h HIS 56 CO 0.02 0.87 -0.18 0.82 -0.00 0.00 0.00 177.93 179.47 1c07 h ILE 57 N 0.36 0.38 -0.23 6.26 2.04 0.26 -2.58 117.51 124.01 1c07 h ILE 57 Ca 0.02 -1.12 -0.08 0.00 1.00 0.00 0.00 64.86 64.68 1c07 h ILE 57 Cb 1.01 1.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.93 1c07 h ILE 57 CO 0.09 0.17 -0.15 -0.25 0.00 0.00 0.00 178.15 178.01 1c07 h TRP 58 N 0.00 0.59 0.00 1.37 2.91 0.16 -2.22 115.95 118.76 1c07 h TRP 58 Ca -0.00 -0.16 -0.09 0.00 1.13 0.00 0.00 58.89 59.77 1c07 h TRP 58 Cb 0.83 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.33 1c07 h TRP 58 CO 0.00 0.81 -0.44 0.77 -1.03 0.00 0.00 178.44 178.55 1c07 h SER 59 N 0.21 0.00 0.66 2.65 0.02 -1.40 1.14 113.55 116.82 1c07 h SER 59 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1c07 h SER 59 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1c07 h SER 59 CO 0.04 0.44 0.00 0.18 -1.14 0.00 0.00 176.83 176.35 1c07 n LEU 60 N -3.86 0.04 -0.01 5.07 4.77 -0.98 -3.46 117.00 118.57 1c07 n LEU 60 Ca -0.01 0.51 -0.02 0.00 -0.03 0.00 0.00 56.01 56.46 1c07 n LEU 60 Cb 0.48 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1c07 n LEU 60 CO 0.39 -0.19 -0.59 0.00 -1.33 0.00 0.00 177.39 175.66 1c07 n ASP 62 N -2.32 2.43 0.24 0.00 -0.08 0.38 -4.53 116.55 112.67 1c07 n ASP 62 Ca -0.05 -2.19 0.13 0.00 -1.51 0.00 0.00 54.79 51.17 1c07 n ASP 62 Cb 0.57 -0.80 0.76 0.00 2.34 0.00 0.00 41.12 44.00 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 3.78 0.74 0.00 5.18 1.35 -1.85 0.07 112.91 122.18 1c07 h THR 63 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.11 1c07 h THR 63 Cb 0.12 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1c07 h THR 63 CO 1.27 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.83 1c07 n LYS 64 N -4.19 0.18 -4.09 4.72 4.01 -1.26 -4.86 118.16 112.66 1c07 n LYS 64 Ca -0.01 0.17 -0.35 0.00 -0.51 0.00 0.00 58.31 57.61 1c07 n LYS 64 Cb 0.17 -1.50 -0.04 0.00 -0.51 0.00 0.00 35.03 33.16 1c07 n LYS 64 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1c07 n ASP 65 N -1.29 -1.30 0.00 4.39 5.75 0.01 -4.80 116.55 119.31 1c07 n ASP 65 Ca 0.06 -1.16 0.00 0.00 -0.01 0.00 0.00 54.79 53.68 1c07 n ASP 65 Cb 0.10 -1.41 0.00 0.00 -1.03 0.00 0.00 41.12 38.78 1c07 n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1c07 n GLY 67 N 2.58 1.32 1.64 0.00 0.00 -1.26 -5.11 105.19 104.36 1c07 n GLY 67 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 1.12 -3.96 1.61 5.02 -1.26 -4.62 118.16 116.07 1c07 n LYS 68 Ca 0.00 -1.68 -0.34 0.00 -2.02 0.00 0.00 58.31 54.27 1c07 n LYS 68 Cb 0.00 0.66 -0.14 0.00 -0.02 0.00 0.00 35.03 35.53 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 3.41 0.00 -0.35 0.20 0.11 -4.75 118.68 117.30 1c07 s LEU 69 Ca 0.05 -1.03 -0.13 0.00 0.69 0.00 0.00 54.13 53.70 1c07 s LEU 69 Cb 0.00 -1.67 0.18 0.00 -0.43 0.00 0.00 46.19 44.28 1c07 s LEU 69 CO 0.03 -0.17 0.93 -0.24 -0.29 0.00 0.00 176.35 176.62 1c07 n SER 70 N 4.63 -0.46 0.00 3.68 2.88 -1.26 -1.22 113.62 121.87 1c07 n SER 70 Ca -0.15 -1.25 0.00 0.00 -1.33 0.00 0.00 58.87 56.13 1c07 n SER 70 Cb 0.46 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 1c07 n SER 70 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1c07 n LYS 71 N -3.33 0.00 -0.46 -1.46 4.76 -1.26 -0.77 118.16 115.64 1c07 n LYS 71 Ca 0.12 0.00 0.38 0.00 -2.87 0.00 0.00 58.31 55.94 1c07 n LYS 71 Cb 0.43 -0.37 0.70 0.00 -1.84 0.00 0.00 35.03 33.95 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 0.15 -0.93 4.39 5.19 -1.98 0.54 116.42 123.78 1c07 h ASP 72 Ca 0.00 0.06 0.04 0.00 -0.62 0.00 0.00 57.03 56.51 1c07 h ASP 72 Cb 0.00 0.05 -0.06 0.00 0.18 0.00 0.00 39.33 39.50 1c07 h ASP 72 CO 0.00 -0.05 0.60 1.56 -3.12 0.00 0.00 179.24 178.23 1c07 h GLN 73 N 0.09 1.12 -0.50 3.56 7.50 -1.77 -2.16 115.11 122.94 1c07 h GLN 73 Ca 0.75 -0.07 -0.09 0.00 0.50 0.00 0.00 58.65 59.74 1c07 h GLN 73 Cb 2.62 -0.25 -0.02 0.00 0.05 0.00 0.00 27.48 29.88 1c07 h GLN 73 CO -0.20 0.74 -0.03 0.35 -1.50 0.00 0.00 178.83 178.19 1c07 h PHE 74 N 1.15 1.00 0.00 2.96 3.57 0.22 -1.87 116.94 123.97 1c07 h PHE 74 Ca 0.38 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1c07 h PHE 74 Cb 0.04 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.52 1c07 h PHE 74 CO -0.01 0.94 0.00 0.00 -2.23 0.00 0.00 178.31 177.01 1c07 n ALA 75 N -2.46 1.24 0.08 2.41 0.00 -0.85 -2.03 120.51 118.90 1c07 n ALA 75 Ca 0.01 0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.25 1c07 n ALA 75 Cb 0.34 -1.13 -0.15 0.00 0.00 0.00 0.00 19.45 18.51 1c07 n ALA 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1c07 h LEU 76 N 0.00 0.57 0.17 0.00 7.12 -0.95 -3.03 115.31 119.20 1c07 h LEU 76 Ca 0.00 -0.94 -0.01 0.00 0.13 0.00 0.00 57.88 57.06 1c07 h LEU 76 Cb 0.10 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.04 1c07 h LEU 76 CO 0.00 1.49 -0.08 0.00 -0.13 0.00 0.00 178.44 179.72 1c07 h ALA 77 N 0.10 -0.23 -1.01 1.25 0.00 -1.41 -2.60 119.26 115.35 1c07 h ALA 77 Ca -0.18 -0.14 0.24 0.00 0.00 0.00 0.00 54.91 54.83 1c07 h ALA 77 Cb 1.79 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 19.56 1c07 h ALA 77 CO 0.18 -0.52 0.61 0.74 0.00 0.00 0.00 179.25 180.26 1c07 h PHE 78 N -0.45 0.97 -0.30 0.00 0.04 -1.66 0.96 116.94 116.50 1c07 h PHE 78 Ca -0.02 0.03 0.09 0.00 2.80 0.00 0.00 57.97 60.87 1c07 h PHE 78 Cb 0.35 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 1c07 h PHE 78 CO -0.00 0.09 0.33 1.25 -0.60 0.00 0.00 178.31 179.39 1c07 h HIS 79 N 0.58 0.00 0.00 -0.55 2.76 -1.33 0.51 115.15 117.12 1c07 h HIS 79 Ca 0.63 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.68 1c07 h HIS 79 Cb 1.21 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.15 1c07 h HIS 79 CO -0.01 0.00 -1.31 1.28 -1.30 0.00 0.00 177.93 176.59 1c07 n LEU 80 N -3.75 0.82 0.07 0.26 4.77 0.33 -3.88 117.00 115.62 1c07 n LEU 80 Ca 0.05 0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 56.28 1c07 n LEU 80 Cb 0.48 0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 1c07 n LEU 80 CO 0.27 0.04 0.29 0.40 -1.33 0.00 0.00 177.39 177.06 1c07 h ILE 81 N 0.00 0.53 -1.08 -0.08 1.08 0.66 -3.10 117.51 115.53 1c07 h ILE 81 Ca -0.11 -1.01 0.31 0.00 -0.39 0.00 0.00 64.86 63.66 1c07 h ILE 81 Cb 1.39 0.91 -0.04 0.00 -3.07 0.00 0.00 36.82 36.01 1c07 h ILE 81 CO 0.03 0.14 0.90 0.28 -0.69 0.00 0.00 178.15 178.81 1c07 h SER 82 N -0.97 0.00 1.50 1.72 0.02 -1.15 1.58 113.55 116.25 1c07 h SER 82 Ca -0.03 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 1c07 h SER 82 Cb 0.45 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1c07 h SER 82 CO 0.05 0.00 -0.22 1.56 -1.14 0.00 0.00 176.83 177.07 1c07 h GLN 83 N 0.00 0.00 0.01 3.45 4.20 -1.65 -2.78 115.11 118.34 1c07 h GLN 83 Ca 0.51 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.91 1c07 h GLN 83 Cb 2.30 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 30.03 1c07 h GLN 83 CO -0.01 0.22 -1.83 1.17 -0.67 0.00 0.00 178.83 177.71 1c07 n LYS 84 N -3.21 0.65 -0.05 1.46 0.00 0.53 0.27 118.16 117.81 1c07 n LYS 84 Ca 0.02 0.25 -0.02 0.00 0.00 0.00 0.00 58.31 58.56 1c07 n LYS 84 Cb 0.56 -1.75 -0.02 0.00 0.00 0.00 0.00 35.03 33.82 1c07 n LYS 84 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1c07 h LEU 85 N 0.01 0.00 0.18 3.14 3.38 -1.29 -2.66 115.31 118.07 1c07 h LEU 85 Ca -0.34 -0.10 -0.24 0.00 0.09 0.00 0.00 57.88 57.29 1c07 h LEU 85 Cb 2.05 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.82 1c07 h LEU 85 CO 0.07 0.58 -1.07 0.40 0.09 0.00 0.00 178.44 178.52 1c07 h ILE 86 N -1.00 1.42 0.04 1.22 1.08 -1.73 -3.38 117.51 115.16 1c07 h ILE 86 Ca -0.00 -2.59 -0.35 0.00 -0.39 0.00 0.00 64.86 61.52 1c07 h ILE 86 Cb 0.16 3.14 -0.05 0.00 -3.07 0.00 0.00 36.82 37.00 1c07 h ILE 86 CO -0.00 0.75 -2.11 0.29 -0.69 0.00 0.00 178.15 176.39 1c07 n LYS 87 N -3.98 0.69 -0.71 2.37 4.01 -1.17 -4.97 118.16 114.40 1c07 n LYS 87 Ca -0.15 0.19 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 1c07 n LYS 87 Cb 0.93 -1.65 0.00 0.00 -0.51 0.00 0.00 35.03 33.79 1c07 n LYS 87 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1c07 n GLY 88 N 1.89 0.78 3.66 0.72 0.00 0.76 -4.89 105.19 108.12 1c07 n GLY 88 Ca -0.31 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.93 2.42 0.32 -0.61 1.01 0.46 -4.73 121.20 117.13 1c07 s ILE 89 Ca 0.00 0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.85 1c07 s ILE 89 Cb 0.00 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 1c07 s ILE 89 CO 0.00 -0.18 0.38 -1.81 0.00 0.00 0.00 174.94 173.33 1c07 s ASP 90 N -3.15 5.78 0.39 3.58 1.11 -1.26 -3.68 116.67 119.44 1c07 s ASP 90 Ca 0.65 -0.25 -0.25 0.00 0.18 0.00 0.00 52.55 52.88 1c07 s ASP 90 Cb -0.20 -1.25 -0.09 0.00 1.07 0.00 0.00 42.92 42.45 1c07 s ASP 90 CO 0.59 -0.33 1.07 -2.16 1.18 0.00 0.00 175.17 175.51 1c07 s PRO 91 N -4.07 4.18 1.16 8.23 0.04 -1.26 -5.00 135.00 138.27 1c07 s PRO 91 Ca 0.41 1.58 -0.18 0.00 0.04 0.00 0.00 61.00 62.85 1c07 s PRO 91 Cb -0.08 -2.60 0.27 0.00 0.04 0.00 0.00 34.50 32.12 1c07 s PRO 91 CO 0.29 -0.14 1.14 -1.25 0.04 0.00 0.00 177.00 177.08 1c07 s PRO 92 N -2.40 -0.86 0.00 0.56 0.04 -1.26 -5.02 135.00 126.06 1c07 s PRO 92 Ca 0.57 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.50 1c07 s PRO 92 Cb -0.24 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1c07 s PRO 92 CO 0.30 -3.47 0.20 0.72 0.04 0.00 0.00 177.00 174.80 1c07 n HIS 93 N -4.58 0.00 -3.29 0.56 8.25 -1.26 -4.96 115.22 109.95 1c07 n HIS 93 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1c07 n HIS 93 Cb 0.59 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.70 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 -0.27 0.00 -2.02 1.59 0.24 -1.26 -4.84 118.33 111.76 1c07 n VAL 94 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.01 1c07 n VAL 94 Cb 0.00 -0.51 0.14 0.00 -1.47 0.00 0.00 33.84 32.00 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 2.71 0.34 1.34 1.43 -1.26 -4.98 118.68 118.25 1c07 s LEU 95 Ca 0.00 0.33 0.07 0.00 -1.03 0.00 0.00 54.13 53.51 1c07 s LEU 95 Cb 0.00 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 1c07 s LEU 95 CO 0.00 -2.33 0.28 0.42 0.23 0.00 0.00 176.35 174.94 1c07 s THR 96 N -3.67 0.02 0.06 5.49 -4.23 -1.26 -5.01 115.64 107.04 1c07 s THR 96 Ca 0.69 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.52 1c07 s THR 96 Cb -0.06 -2.49 0.37 0.00 1.34 0.00 0.00 72.50 71.66 1c07 s THR 96 CO 0.50 0.00 1.94 1.55 -0.54 0.00 0.00 174.62 178.07 1c07 h PRO 97 N 2.12 0.00 0.00 3.99 0.13 -1.99 -1.69 132.00 134.55 1c07 h PRO 97 Ca -0.25 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.75 1c07 h PRO 97 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1c07 h PRO 97 CO 0.37 0.02 -0.63 0.93 -0.23 0.00 0.00 178.00 178.46 1c07 h GLU 98 N 0.00 0.00 0.02 0.86 5.08 -1.95 -3.26 114.58 115.33 1c07 h GLU 98 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1c07 h GLU 98 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1c07 h GLU 98 CO 0.00 0.63 -0.20 0.52 -1.00 0.00 0.00 179.01 178.96 1c07 h MET 99 N 0.00 0.04 -6.70 2.33 2.86 -1.76 0.04 114.93 111.73 1c07 h MET 99 Ca -0.01 -0.07 -0.56 0.00 -2.06 0.00 0.00 59.70 57.01 1c07 h MET 99 Cb 1.23 0.02 0.09 0.00 0.06 0.00 0.00 31.60 33.01 1c07 h MET 99 CO 0.08 1.03 0.68 -0.89 1.06 0.00 0.00 176.91 178.87 1c07 n ILE 100 N -4.53 1.26 -0.84 -1.22 5.41 -0.69 -4.73 119.36 114.02 1c07 n ILE 100 Ca -0.12 -0.32 -0.30 0.00 1.00 0.00 0.00 62.75 63.02 1c07 n ILE 100 Cb 0.54 -1.67 0.24 0.00 -0.71 0.00 0.00 39.64 38.04 1c07 n ILE 100 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1c07 s PRO 101 N -0.86 -1.35 -0.70 0.38 0.04 -1.26 -4.63 135.00 126.63 1c07 s PRO 101 Ca 0.63 0.21 -0.25 0.00 0.04 0.00 0.00 61.00 61.63 1c07 s PRO 101 Cb -0.58 -1.56 -0.20 0.00 0.04 0.00 0.00 34.50 32.20 1c07 s PRO 101 CO 0.53 -3.85 1.86 -0.35 0.04 0.00 0.00 177.00 175.23 1c07 n PRO 102 N -4.91 1.05 0.00 0.56 -0.04 -1.26 -4.97 135.00 125.42 1c07 n PRO 102 Ca 0.10 -1.76 0.00 0.00 -0.04 0.00 0.00 63.50 61.80 1c07 n PRO 102 Cb 0.58 -3.07 0.00 0.00 -0.04 0.00 0.00 33.50 30.98 1c07 n PRO 102 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91