#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 -0.17 0.00 -1.42 -0.00 -1.26 -4.76 118.94 111.33 1c07 s TRP 10 Ca 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 56.10 56.31 1c07 s TRP 10 Cb 0.00 0.50 0.00 0.00 -0.00 0.00 0.00 33.47 33.97 1c07 s TRP 10 CO 0.00 -0.22 0.00 1.33 -0.00 0.00 0.00 176.95 178.06 1c07 n VAL 11 N 0.23 0.00 -2.18 5.86 0.24 0.71 -4.40 118.33 118.78 1c07 n VAL 11 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1c07 n VAL 11 Cb 0.59 -1.94 0.00 0.00 -1.47 0.00 0.00 33.84 31.02 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 -0.63 0.00 -0.10 3.34 3.14 -1.26 -4.71 118.33 118.12 1c07 n VAL 12 Ca 0.00 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.27 1c07 n VAL 12 Cb 0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.65 1c07 n VAL 12 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1c07 n SER 13 N 0.54 1.08 -3.25 6.55 7.64 -1.26 -3.33 113.62 121.58 1c07 n SER 13 Ca 0.00 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1c07 n SER 13 Cb 0.00 0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1c07 n SER 13 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1c07 n PRO 14 N -2.82 1.76 -0.15 1.43 -0.04 -1.26 -4.25 135.00 129.67 1c07 n PRO 14 Ca -0.33 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.20 1c07 n PRO 14 Cb 1.04 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.62 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 0.22 -0.09 0.55 0.00 -1.26 0.10 120.51 117.02 1c07 n ALA 15 Ca 0.00 0.48 -0.13 0.00 0.00 0.00 0.00 53.44 53.79 1c07 n ALA 15 Cb 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 19.45 19.02 1c07 n ALA 15 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1c07 h GLU 16 N 0.00 -0.40 -0.91 0.00 5.08 -1.88 1.31 114.58 117.79 1c07 h GLU 16 Ca 0.26 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.81 1c07 h GLU 16 Cb 0.53 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.80 1c07 h GLU 16 CO -0.42 -0.26 0.58 -0.22 -1.00 0.00 0.00 179.01 177.69 1c07 h LYS 17 N -0.41 0.63 -0.00 2.33 3.11 -0.34 0.06 116.57 121.96 1c07 h LYS 17 Ca 0.05 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1c07 h LYS 17 Cb 0.56 -0.14 -0.00 0.00 -1.00 0.00 0.00 32.23 31.65 1c07 h LYS 17 CO -0.49 0.42 -0.00 0.00 -2.81 0.00 0.00 179.45 176.57 1c07 h ALA 18 N 1.60 0.00 -0.46 5.00 0.00 -0.39 0.88 119.26 125.90 1c07 h ALA 18 Ca 0.47 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 55.28 1c07 h ALA 18 Cb 0.81 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1c07 h ALA 18 CO -0.22 -0.28 0.34 -0.22 0.00 0.00 0.00 179.25 178.87 1c07 h LYS 19 N -0.45 0.00 0.04 0.00 3.64 0.27 -1.52 116.57 118.55 1c07 h LYS 19 Ca 0.00 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.14 1c07 h LYS 19 Cb 0.45 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1c07 h LYS 19 CO 0.00 0.00 -1.27 1.88 -2.27 0.00 0.00 179.45 177.79 1c07 h TYR 20 N 0.00 0.14 -1.05 1.91 0.05 -0.74 -3.07 116.97 114.21 1c07 h TYR 20 Ca 0.22 -0.10 0.28 0.00 0.05 0.00 0.00 58.73 59.18 1c07 h TYR 20 Cb 0.89 -0.01 -0.07 0.00 1.01 0.00 0.00 36.73 38.55 1c07 h TYR 20 CO 0.00 1.50 0.71 0.22 -1.05 0.00 0.00 178.16 179.54 1c07 h ASP 21 N -0.74 0.26 0.15 3.88 3.58 0.13 0.79 116.42 124.46 1c07 h ASP 21 Ca -0.32 0.05 -0.28 0.00 0.42 0.00 0.00 57.03 56.89 1c07 h ASP 21 Cb 1.45 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.53 1c07 h ASP 21 CO -0.11 0.06 -1.17 -0.33 -2.88 0.00 0.00 179.24 174.81 1c07 h GLU 22 N 0.24 0.61 -0.39 0.28 4.39 -1.42 -3.23 114.58 115.06 1c07 h GLU 22 Ca 0.55 -0.76 -0.11 0.00 0.34 0.00 0.00 59.36 59.38 1c07 h GLU 22 Cb 1.71 0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 30.59 1c07 h GLU 22 CO -0.17 1.34 -0.19 0.82 -1.16 0.00 0.00 179.01 179.64 1c07 h ILE 23 N 0.29 1.27 -1.04 3.13 2.04 0.04 -2.32 117.51 120.92 1c07 h ILE 23 Ca -0.16 -1.28 0.27 0.00 1.00 0.00 0.00 64.86 64.68 1c07 h ILE 23 Cb 1.84 1.18 -0.09 0.00 -0.74 0.00 0.00 36.82 39.00 1c07 h ILE 23 CO 0.22 0.43 0.67 0.15 0.00 0.00 0.00 178.15 179.62 1c07 h PHE 24 N 0.66 0.66 0.00 1.37 3.57 0.28 3.02 116.94 126.51 1c07 h PHE 24 Ca 0.10 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1c07 h PHE 24 Cb 0.69 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 1c07 h PHE 24 CO 0.03 0.06 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.01 1c07 h LEU 25 N 0.39 0.00 0.00 0.59 3.38 -1.49 1.05 115.31 119.23 1c07 h LEU 25 Ca 0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.57 1c07 h LEU 25 Cb 1.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1c07 h LEU 25 CO -0.30 0.09 -1.38 0.29 0.09 0.00 0.00 178.44 177.23 1c07 n LYS 26 N -3.99 0.44 -0.08 1.13 5.02 0.86 -4.49 118.16 117.05 1c07 n LYS 26 Ca -0.02 -0.08 -0.13 0.00 -2.02 0.00 0.00 58.31 56.06 1c07 n LYS 26 Cb 0.18 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.65 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 0.48 -0.76 -0.18 2.02 0.46 -3.42 112.91 111.50 1c07 h THR 27 Ca 0.00 -1.58 -0.37 0.00 0.77 0.00 0.00 66.41 65.23 1c07 h THR 27 Cb 0.68 1.12 -0.06 0.00 -1.74 0.00 0.00 68.15 68.16 1c07 h THR 27 CO 0.00 0.16 0.98 -0.62 0.37 0.00 0.00 175.52 176.41 1c07 s ASP 28 N -6.25 5.45 0.00 4.18 2.15 0.35 -4.32 116.67 118.22 1c07 s ASP 28 Ca -0.21 -1.02 0.28 0.00 0.43 0.00 0.00 52.55 52.03 1c07 s ASP 28 Cb 0.04 -2.57 1.02 0.00 -0.30 0.00 0.00 42.92 41.11 1c07 s ASP 28 CO 0.39 -2.50 1.74 0.29 -0.17 0.00 0.00 175.17 174.93 1c07 n LYS 29 N 8.77 0.55 -0.29 4.34 5.02 -1.26 -3.69 118.16 131.61 1c07 n LYS 29 Ca 0.40 -0.23 0.06 0.00 -2.02 0.00 0.00 58.31 56.52 1c07 n LYS 29 Cb 0.48 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 34.19 1c07 n LYS 29 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1c07 n ASP 30 N -1.02 2.59 -3.59 4.39 8.00 -1.26 -4.89 116.55 120.77 1c07 n ASP 30 Ca 0.12 -2.13 -0.24 0.00 0.71 0.00 0.00 54.79 53.25 1c07 n ASP 30 Cb 0.31 -0.36 -0.04 0.00 -0.02 0.00 0.00 41.12 41.01 1c07 n ASP 30 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1c07 n MET 31 N 0.64 -2.02 -0.20 -1.24 2.81 -1.24 -4.74 117.12 111.13 1c07 n MET 31 Ca 0.14 0.15 0.06 0.00 -1.81 0.00 0.00 57.70 56.24 1c07 n MET 31 Cb 0.46 -4.72 0.15 0.00 -0.71 0.00 0.00 33.22 28.40 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 -2.08 2.96 -0.22 7.83 5.75 -1.26 -4.93 116.55 124.59 1c07 n ASP 32 Ca 0.05 -2.23 -0.03 0.00 -0.01 0.00 0.00 54.79 52.58 1c07 n ASP 32 Cb 0.48 -0.26 -0.01 0.00 -1.03 0.00 0.00 41.12 40.30 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 0.12 0.51 2.88 6.12 0.00 -1.26 -4.95 105.19 108.61 1c07 n GLY 33 Ca 0.12 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.75 -0.53 -0.00 1.61 0.08 -1.26 -3.59 117.98 112.53 1c07 s PHE 34 Ca 0.00 0.64 -0.20 0.00 0.12 0.00 0.00 56.93 57.49 1c07 s PHE 34 Cb 0.00 -0.13 -0.05 0.00 -0.57 0.00 0.00 43.02 42.27 1c07 s PHE 34 CO 0.00 -0.60 0.57 0.54 -0.10 0.00 0.00 175.22 175.63 1c07 s VAL 35 N 2.44 4.92 0.32 -0.44 0.11 0.15 -4.66 120.40 123.24 1c07 s VAL 35 Ca 0.08 1.19 -0.11 0.00 -2.93 0.00 0.00 61.98 60.21 1c07 s VAL 35 Cb -0.15 -3.90 -0.07 0.00 -1.53 0.00 0.00 36.38 30.73 1c07 s VAL 35 CO -0.13 0.44 0.67 -0.94 -3.33 0.00 0.00 175.10 171.81 1c07 s SER 36 N -0.29 6.60 0.61 3.54 1.04 -1.26 0.39 113.70 124.32 1c07 s SER 36 Ca 0.30 1.05 0.26 0.00 0.48 0.00 0.00 55.95 58.04 1c07 s SER 36 Cb -0.18 -2.28 1.18 0.00 0.10 0.00 0.00 66.02 64.84 1c07 s SER 36 CO 0.17 -0.23 1.61 1.23 0.98 0.00 0.00 173.24 176.99 1c07 h GLY 37 N 1.91 0.00 1.97 7.32 0.00 -1.93 0.96 103.07 113.30 1c07 h GLY 37 Ca -0.47 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 1c07 h GLY 37 CO 0.66 0.00 -0.44 0.17 0.00 0.00 0.00 176.54 176.93 1c07 h LEU 38 N 0.00 0.03 0.00 3.11 8.10 -1.96 0.38 115.31 124.96 1c07 h LEU 38 Ca 0.29 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 58.27 1c07 h LEU 38 Cb 1.87 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 42.08 1c07 h LEU 38 CO -0.00 0.47 -0.30 -0.33 -4.11 0.00 0.00 178.44 174.17 1c07 h GLU 39 N 0.03 0.00 0.00 0.17 5.08 0.65 -3.31 114.58 117.20 1c07 h GLU 39 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1c07 h GLU 39 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1c07 h GLU 39 CO 0.06 0.00 0.16 -0.24 -1.00 0.00 0.00 179.01 177.99 1c07 h VAL 40 N -0.91 0.00 0.00 3.13 3.04 -1.57 -3.16 116.25 116.78 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 0.30 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 30.12 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 -2.45 0.00 -0.29 4.17 0.63 0.13 0.22 116.66 119.07 1c07 n ARG 41 Ca -0.02 0.75 0.09 0.00 -0.92 0.00 0.00 57.85 57.76 1c07 n ARG 41 Cb 0.20 -1.31 0.22 0.00 0.45 0.00 0.00 32.46 32.02 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 0.09 -0.79 -0.14 5.08 -1.77 2.55 114.58 119.60 1c07 h GLU 42 Ca 0.00 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1c07 h GLU 42 Cb 0.00 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.16 1c07 h GLU 42 CO 0.00 0.06 0.45 0.82 -1.00 0.00 0.00 179.01 179.34 1c07 h ILE 43 N 0.09 0.94 0.00 3.13 2.04 -0.86 0.10 117.51 122.96 1c07 h ILE 43 Ca 0.49 -0.27 -0.09 0.00 1.00 0.00 0.00 64.86 65.99 1c07 h ILE 43 Cb 0.94 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1c07 h ILE 43 CO -0.75 0.14 -0.47 -0.26 0.00 0.00 0.00 178.15 176.82 1c07 h PHE 44 N 0.79 0.00 0.00 1.37 0.04 1.25 -3.07 116.94 117.33 1c07 h PHE 44 Ca 0.37 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.14 1c07 h PHE 44 Cb 0.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1c07 h PHE 44 CO -0.06 0.42 0.00 -0.07 -0.60 0.00 0.00 178.31 177.99 1c07 h LEU 45 N 0.00 0.00 -0.01 1.54 3.38 0.56 -2.26 115.31 118.52 1c07 h LEU 45 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1c07 h LEU 45 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1c07 h LEU 45 CO 0.05 0.00 -0.09 0.29 0.09 0.00 0.00 178.44 178.79 1c07 n LYS 46 N -3.06 0.05 0.22 1.13 5.02 0.17 -3.31 118.16 118.40 1c07 n LYS 46 Ca 0.02 -0.01 0.16 0.00 -2.02 0.00 0.00 58.31 56.45 1c07 n LYS 46 Cb 0.38 -1.50 0.66 0.00 -0.02 0.00 0.00 35.03 34.55 1c07 n LYS 46 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1c07 h THR 47 N 0.02 0.00 0.00 -0.18 1.35 -1.49 -3.45 112.91 109.16 1c07 h THR 47 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1c07 h THR 47 Cb 0.48 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1c07 h THR 47 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1c07 n GLY 48 N -0.18 0.45 3.97 5.82 0.00 -1.21 -4.57 105.19 109.47 1c07 n GLY 48 Ca 0.01 -0.97 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 3.45 0.00 0.99 1.02 -1.26 -5.03 118.68 117.85 1c07 s LEU 49 Ca 0.00 -0.62 0.00 0.00 0.02 0.00 0.00 54.13 53.53 1c07 s LEU 49 Cb 0.00 -2.26 0.00 0.00 0.02 0.00 0.00 46.19 43.95 1c07 s LEU 49 CO 0.00 -0.82 0.00 -0.81 0.02 0.00 0.00 176.35 174.74 1c07 n PRO 50 N -1.81 0.68 -0.06 1.29 -0.04 -1.26 -4.94 135.00 128.86 1c07 n PRO 50 Ca 0.07 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.49 1c07 n PRO 50 Cb 0.60 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.05 1c07 n PRO 50 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1c07 n SER 51 N -1.18 1.41 -0.31 3.54 2.88 -1.26 -3.86 113.62 114.84 1c07 n SER 51 Ca 0.00 0.44 0.16 0.00 -1.33 0.00 0.00 58.87 58.14 1c07 n SER 51 Cb 0.00 -0.75 0.34 0.00 -0.75 0.00 0.00 64.21 63.05 1c07 n SER 51 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1c07 h THR 52 N -0.76 0.35 0.29 2.46 2.02 -1.98 0.74 112.91 116.04 1c07 h THR 52 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1c07 h THR 52 Cb 0.52 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1c07 h THR 52 CO 0.00 0.05 -0.30 0.25 0.37 0.00 0.00 175.52 175.89 1c07 h LEU 53 N 0.29 -0.82 -1.31 2.58 5.85 -1.98 0.32 115.31 120.24 1c07 h LEU 53 Ca 0.60 0.07 0.07 0.00 0.84 0.00 0.00 57.88 59.47 1c07 h LEU 53 Cb 1.24 0.28 -0.05 0.00 0.37 0.00 0.00 40.66 42.50 1c07 h LEU 53 CO -0.61 -0.43 0.51 -0.07 -0.34 0.00 0.00 178.44 177.50 1c07 h LEU 54 N -0.63 0.72 -0.11 2.25 3.38 -1.10 0.56 115.31 120.38 1c07 h LEU 54 Ca -0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1c07 h LEU 54 Cb 0.58 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1c07 h LEU 54 CO -0.07 0.46 0.04 0.00 0.09 0.00 0.00 178.44 178.96 1c07 h ALA 55 N 1.58 0.15 0.00 1.53 0.00 0.10 2.16 119.26 124.79 1c07 h ALA 55 Ca 0.34 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1c07 h ALA 55 Cb 0.28 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1c07 h ALA 55 CO -0.12 -0.25 -0.17 1.25 0.00 0.00 0.00 179.25 179.96 1c07 h HIS 56 N 0.01 0.00 0.05 0.00 -0.00 0.72 -1.52 115.15 114.42 1c07 h HIS 56 Ca 0.04 0.00 -0.25 0.00 -0.00 0.00 0.00 60.37 60.15 1c07 h HIS 56 Cb 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.58 1c07 h HIS 56 CO -0.01 0.17 -1.25 0.82 -0.00 0.00 0.00 177.93 177.65 1c07 h ILE 57 N 0.00 1.45 -0.72 6.26 2.04 0.11 -2.63 117.51 124.02 1c07 h ILE 57 Ca -0.00 -3.13 -0.04 0.00 1.00 0.00 0.00 64.86 62.69 1c07 h ILE 57 Cb 0.44 2.80 -0.03 0.00 -0.74 0.00 0.00 36.82 39.29 1c07 h ILE 57 CO 0.02 0.87 0.30 -0.25 0.00 0.00 0.00 178.15 179.09 1c07 h TRP 58 N 0.03 1.07 0.00 1.37 2.91 0.45 -0.60 115.95 121.18 1c07 h TRP 58 Ca -0.12 -0.07 -0.09 0.00 1.13 0.00 0.00 58.89 59.74 1c07 h TRP 58 Cb 1.90 -0.33 -0.01 0.00 -0.51 0.00 0.00 29.16 30.21 1c07 h TRP 58 CO 0.03 0.81 -0.43 0.66 -1.03 0.00 0.00 178.44 178.47 1c07 h SER 59 N 1.04 0.00 0.82 2.65 4.64 -1.45 0.52 113.55 121.78 1c07 h SER 59 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1c07 h SER 59 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1c07 h SER 59 CO -0.02 0.43 0.00 0.18 -0.87 0.00 0.00 176.83 176.55 1c07 n LEU 60 N -3.36 0.00 -0.02 5.97 4.77 -0.38 -3.47 117.00 120.51 1c07 n LEU 60 Ca 0.01 0.48 -0.02 0.00 -0.03 0.00 0.00 56.01 56.45 1c07 n LEU 60 Cb 0.62 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1c07 n LEU 60 CO 0.38 -0.07 -0.62 0.00 -1.33 0.00 0.00 177.39 175.75 1c07 n ASP 62 N -2.11 4.45 -0.09 0.00 -0.08 0.18 -4.52 116.55 114.38 1c07 n ASP 62 Ca -0.06 -2.26 0.25 0.00 -1.51 0.00 0.00 54.79 51.21 1c07 n ASP 62 Cb 0.59 -1.09 0.72 0.00 2.34 0.00 0.00 41.12 43.68 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 2.53 0.53 0.00 5.18 1.35 -1.84 0.57 112.91 121.22 1c07 h THR 63 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 1c07 h THR 63 Cb 0.87 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1c07 h THR 63 CO 0.63 0.00 0.04 0.11 -0.25 0.00 0.00 175.52 176.04 1c07 h LYS 64 N 0.00 0.00 -6.74 4.72 1.79 -1.90 -3.45 116.57 110.99 1c07 h LYS 64 Ca 0.35 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 58.26 1c07 h LYS 64 Cb 1.48 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 32.08 1c07 h LYS 64 CO -0.00 0.00 -0.96 -3.47 -1.08 0.00 0.00 179.45 173.93 1c07 n ASP 65 N -2.30 -2.44 0.00 0.86 2.03 0.20 -4.83 116.55 110.06 1c07 n ASP 65 Ca -0.01 -1.18 0.00 0.00 0.52 0.00 0.00 54.79 54.11 1c07 n ASP 65 Cb 0.07 -2.28 0.00 0.00 -0.72 0.00 0.00 41.12 38.19 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 -0.16 2.27 1.01 0.00 0.00 -1.26 -4.99 105.19 102.05 1c07 n GLY 67 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 1.62 -3.96 1.61 4.76 -1.26 -4.63 118.16 114.30 1c07 n LYS 68 Ca 0.00 -1.03 -0.31 0.00 -2.87 0.00 0.00 58.31 54.10 1c07 n LYS 68 Cb 0.00 0.29 -0.15 0.00 -1.84 0.00 0.00 35.03 33.33 1c07 n LYS 68 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1c07 s LEU 69 N 0.00 3.86 0.00 -0.35 0.20 0.16 -4.74 118.68 117.82 1c07 s LEU 69 Ca 0.00 -1.85 -0.05 0.00 0.69 0.00 0.00 54.13 52.92 1c07 s LEU 69 Cb 0.00 -1.42 0.08 0.00 -0.43 0.00 0.00 46.19 44.42 1c07 s LEU 69 CO 0.00 -0.35 0.19 -0.24 -0.29 0.00 0.00 176.35 175.66 1c07 n SER 70 N 4.44 -2.39 0.00 3.68 2.88 -1.26 -0.68 113.62 120.29 1c07 n SER 70 Ca -0.01 -0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1c07 n SER 70 Cb 0.42 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 1c07 n SER 70 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1c07 n LYS 71 N -2.68 0.00 -0.48 -1.46 4.81 -1.24 -1.75 118.16 115.37 1c07 n LYS 71 Ca 0.03 0.00 0.40 0.00 -0.87 0.00 0.00 58.31 57.87 1c07 n LYS 71 Cb 0.13 -0.62 0.71 0.00 0.02 0.00 0.00 35.03 35.27 1c07 n LYS 71 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1c07 h ASP 72 N 0.00 0.13 0.72 3.14 1.82 -1.95 0.18 116.42 120.47 1c07 h ASP 72 Ca 0.00 0.06 -0.03 0.00 -0.39 0.00 0.00 57.03 56.66 1c07 h ASP 72 Cb 0.00 0.05 0.01 0.00 0.68 0.00 0.00 39.33 40.06 1c07 h ASP 72 CO 0.00 -0.06 -0.36 1.56 -1.61 0.00 0.00 179.24 178.77 1c07 h GLN 73 N 0.07 -0.96 -0.95 0.28 7.50 -1.82 -1.23 115.11 118.00 1c07 h GLN 73 Ca 0.77 0.07 0.27 0.00 0.50 0.00 0.00 58.65 60.26 1c07 h GLN 73 Cb 2.74 0.22 -0.04 0.00 0.05 0.00 0.00 27.48 30.45 1c07 h GLN 73 CO -0.19 -0.64 0.68 0.35 -1.50 0.00 0.00 178.83 177.54 1c07 h PHE 74 N -0.99 0.04 0.00 2.96 3.04 -0.10 2.21 116.94 124.10 1c07 h PHE 74 Ca -0.10 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.85 1c07 h PHE 74 Cb 0.77 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.27 1c07 h PHE 74 CO -0.04 0.01 0.00 0.00 -2.02 0.00 0.00 178.31 176.26 1c07 n ALA 75 N -2.71 2.20 0.07 2.41 0.00 -0.52 -3.09 120.51 118.88 1c07 n ALA 75 Ca 0.20 -0.11 -0.23 0.00 0.00 0.00 0.00 53.44 53.30 1c07 n ALA 75 Cb 1.00 -1.40 -0.15 0.00 0.00 0.00 0.00 19.45 18.91 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 0.62 -0.90 0.00 7.12 0.43 -3.31 115.31 119.27 1c07 h LEU 76 Ca 0.00 -0.93 -0.06 0.00 0.13 0.00 0.00 57.88 57.02 1c07 h LEU 76 Cb 0.28 -0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 40.19 1c07 h LEU 76 CO 0.00 1.76 0.15 0.00 -0.13 0.00 0.00 178.44 180.22 1c07 h ALA 77 N 0.10 1.11 -0.26 1.25 0.00 -1.46 -1.75 119.26 118.24 1c07 h ALA 77 Ca -0.33 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.40 1c07 h ALA 77 Cb 2.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 1c07 h ALA 77 CO 0.18 0.60 0.18 0.74 0.00 0.00 0.00 179.25 180.94 1c07 h PHE 78 N 0.92 0.14 0.00 0.00 -1.00 -1.67 0.40 116.94 115.73 1c07 h PHE 78 Ca 0.20 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.97 1c07 h PHE 78 Cb 0.33 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 39.84 1c07 h PHE 78 CO 0.02 0.08 -0.05 1.25 -1.61 0.00 0.00 178.31 178.00 1c07 h HIS 79 N 0.14 0.00 0.00 -0.55 2.76 -1.39 0.27 115.15 116.38 1c07 h HIS 79 Ca 0.12 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.19 1c07 h HIS 79 Cb 0.28 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 1c07 h HIS 79 CO -0.00 0.05 -1.10 1.28 -1.30 0.00 0.00 177.93 176.85 1c07 n LEU 80 N -4.16 1.89 -0.35 0.26 4.77 0.68 -4.19 117.00 115.90 1c07 n LEU 80 Ca -0.03 0.43 0.35 0.00 -0.03 0.00 0.00 56.01 56.73 1c07 n LEU 80 Cb 0.13 -0.81 0.72 0.00 -2.33 0.00 0.00 43.42 41.12 1c07 n LEU 80 CO 0.32 -0.16 1.32 0.40 -1.33 0.00 0.00 177.39 177.94 1c07 h ILE 81 N -1.00 0.39 0.28 -0.08 2.04 -0.37 -0.07 117.51 118.69 1c07 h ILE 81 Ca -0.14 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1c07 h ILE 81 Cb 0.97 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1c07 h ILE 81 CO -0.08 0.01 -0.18 -1.28 0.00 0.00 0.00 178.15 176.62 1c07 h SER 82 N 0.06 -0.46 0.26 1.72 0.87 -0.63 -1.45 113.55 113.92 1c07 h SER 82 Ca 0.60 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.19 1c07 h SER 82 Cb 2.25 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 64.35 1c07 h SER 82 CO -0.07 -0.29 0.00 0.00 -0.53 0.00 0.00 176.83 175.94 1c07 n GLN 83 N -5.31 0.09 0.03 2.24 10.64 -0.05 -1.90 117.38 123.11 1c07 n GLN 83 Ca -0.09 0.24 0.12 0.00 -1.83 0.00 0.00 57.00 55.44 1c07 n GLN 83 Cb 0.22 -1.50 0.16 0.00 -0.86 0.00 0.00 30.24 28.26 1c07 n GLN 83 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 1c07 n LYS 84 N -1.37 0.16 -0.02 2.61 0.00 -0.56 0.26 118.16 119.24 1c07 n LYS 84 Ca 0.04 0.03 -0.02 0.00 0.00 0.00 0.00 58.31 58.36 1c07 n LYS 84 Cb 0.10 -1.58 -0.01 0.00 0.00 0.00 0.00 35.03 33.54 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 -1.80 0.58 -0.01 3.14 4.77 -0.80 -3.82 117.00 119.07 1c07 n LEU 85 Ca 0.04 0.36 -0.14 0.00 -0.03 0.00 0.00 56.01 56.24 1c07 n LEU 85 Cb 0.39 -0.62 -0.14 0.00 -2.33 0.00 0.00 43.42 40.72 1c07 n LEU 85 CO 0.37 -0.49 -0.63 0.40 -1.33 0.00 0.00 177.39 175.71 1c07 h ILE 86 N -0.32 0.77 0.00 -0.08 1.08 -1.80 -3.37 117.51 113.80 1c07 h ILE 86 Ca 0.00 -2.56 -0.15 0.00 -0.39 0.00 0.00 64.86 61.76 1c07 h ILE 86 Cb 0.17 2.47 -0.03 0.00 -3.07 0.00 0.00 36.82 36.37 1c07 h ILE 86 CO 0.00 0.67 -1.31 0.11 -0.69 0.00 0.00 178.15 176.93 1c07 h LYS 87 N 0.03 0.00 0.00 2.37 1.79 -1.75 -3.47 116.57 115.54 1c07 h LYS 87 Ca -0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 1c07 h LYS 87 Cb 2.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.67 1c07 h LYS 87 CO 0.09 0.28 0.00 0.41 -1.08 0.00 0.00 179.45 179.15 1c07 n GLY 88 N 1.37 0.28 3.79 3.86 0.00 0.72 -4.89 105.19 110.33 1c07 n GLY 88 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.74 3.60 0.89 -0.61 1.01 0.45 -4.76 121.20 120.04 1c07 s ILE 89 Ca 0.00 0.84 -0.13 0.00 0.00 0.00 0.00 60.65 61.36 1c07 s ILE 89 Cb 0.00 -3.33 0.17 0.00 0.01 0.00 0.00 42.46 39.31 1c07 s ILE 89 CO 0.00 -0.37 1.24 1.51 0.00 0.00 0.00 174.94 177.32 1c07 s ASP 90 N -2.43 3.54 0.95 3.58 -4.77 -1.26 -3.42 116.67 112.86 1c07 s ASP 90 Ca 0.66 0.22 -0.12 0.00 -3.30 0.00 0.00 52.55 50.02 1c07 s ASP 90 Cb -0.18 -0.40 0.16 0.00 -1.09 0.00 0.00 42.92 41.42 1c07 s ASP 90 CO 0.33 -2.45 1.10 -2.16 0.70 0.00 0.00 175.17 172.68 1c07 s PRO 91 N -5.71 0.79 0.00 2.11 0.04 -1.26 -4.89 135.00 126.08 1c07 s PRO 91 Ca 0.71 0.56 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1c07 s PRO 91 Cb -0.05 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1c07 s PRO 91 CO 0.51 -2.50 1.73 -0.35 0.04 0.00 0.00 177.00 176.43 1c07 n PRO 92 N -4.02 0.94 0.00 0.56 -0.04 -1.26 -4.90 135.00 126.29 1c07 n PRO 92 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1c07 n PRO 92 Cb 0.57 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 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 1.37 0.00 -2.94 0.54 8.25 -1.26 -4.58 115.22 116.59 1c07 n HIS 93 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1c07 n HIS 93 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 -3.72 1.59 0.24 -1.26 -4.90 118.33 110.28 1c07 n VAL 94 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.98 1c07 n VAL 94 Cb 0.00 -0.16 -0.05 0.00 -1.47 0.00 0.00 33.84 32.16 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 4.30 0.46 1.34 2.01 -1.26 -5.00 118.68 120.52 1c07 s LEU 95 Ca 0.00 0.54 0.05 0.00 0.01 0.00 0.00 54.13 54.73 1c07 s LEU 95 Cb 0.00 -3.17 -0.04 0.00 0.01 0.00 0.00 46.19 42.99 1c07 s LEU 95 CO 0.00 0.10 0.10 0.42 1.01 0.00 0.00 176.35 177.98 1c07 s THR 96 N -1.58 1.79 -0.79 5.49 -4.23 -1.26 -5.00 115.64 110.06 1c07 s THR 96 Ca 0.38 -1.86 0.21 0.00 -1.18 0.00 0.00 61.69 59.25 1c07 s THR 96 Cb -0.12 -2.65 0.20 0.00 1.34 0.00 0.00 72.50 71.26 1c07 s THR 96 CO 0.24 0.00 1.66 -0.81 -0.54 0.00 0.00 174.62 175.17 1c07 n PRO 97 N -1.22 0.10 0.00 3.99 -0.04 -1.26 -2.17 135.00 134.40 1c07 n PRO 97 Ca -0.08 0.26 0.11 0.00 -0.04 0.00 0.00 63.50 63.76 1c07 n PRO 97 Cb 0.66 -1.66 0.04 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.85 0.57 -0.09 0.54 1.02 -1.26 -4.03 120.64 115.54 1c07 n GLU 98 Ca 0.04 -0.44 0.03 0.00 -0.02 0.00 0.00 57.16 56.77 1c07 n GLU 98 Cb 0.25 -1.49 0.08 0.00 -0.02 0.00 0.00 31.44 30.26 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 -0.83 2.87 -4.32 3.49 2.81 -0.92 0.26 117.12 120.47 1c07 n MET 99 Ca 0.07 -1.81 -0.35 0.00 -1.81 0.00 0.00 57.70 53.80 1c07 n MET 99 Cb 0.39 -1.16 -0.10 0.00 -0.71 0.00 0.00 33.22 31.64 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 -1.16 4.38 0.15 2.02 1.01 -1.03 -4.79 121.20 121.78 1c07 s ILE 100 Ca 0.12 -0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.26 1c07 s ILE 100 Cb 0.07 -2.86 -0.07 0.00 0.01 0.00 0.00 42.46 39.61 1c07 s ILE 100 CO 0.07 0.58 1.10 -2.16 0.00 0.00 0.00 174.94 174.53 1c07 s PRO 101 N -0.67 4.57 -0.47 2.79 0.04 -1.26 -4.97 135.00 135.03 1c07 s PRO 101 Ca 0.11 1.70 -0.28 0.00 0.04 0.00 0.00 61.00 62.57 1c07 s PRO 101 Cb -0.12 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1c07 s PRO 101 CO 0.02 0.03 1.56 -1.25 0.04 0.00 0.00 177.00 177.40 1c07 s PRO 102 N -0.08 3.31 0.00 0.56 0.04 -1.26 -5.09 135.00 132.48 1c07 s PRO 102 Ca 0.51 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1c07 s PRO 102 Cb -0.29 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.11 1c07 s PRO 102 CO 0.34 -1.90 0.00 0.43 0.04 0.00 0.00 177.00 175.91