#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 -4.91 0.00 -1.42 -0.00 -0.20 -4.99 117.44 105.92 1c07 n TRP 10 Ca 0.00 2.94 0.00 0.00 -0.00 0.00 0.00 57.50 60.44 1c07 n TRP 10 Cb 0.00 -3.80 0.00 0.00 -0.00 0.00 0.00 31.31 27.51 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 1.87 0.00 -2.77 5.87 0.24 0.72 -4.79 118.33 119.47 1c07 n VAL 11 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.28 1c07 n VAL 11 Cb 0.00 -1.10 -0.02 0.00 -1.47 0.00 0.00 33.84 31.25 1c07 n VAL 11 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1c07 n VAL 12 N -0.39 -6.47 0.03 3.34 0.31 -1.26 -4.99 118.33 108.90 1c07 n VAL 12 Ca 0.00 1.32 0.00 0.00 -0.01 0.00 0.00 64.34 65.65 1c07 n VAL 12 Cb 0.00 -4.27 0.00 0.00 -0.91 0.00 0.00 33.84 28.66 1c07 n VAL 12 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1c07 n SER 13 N 2.14 0.10 -3.34 4.52 7.64 -1.26 -4.68 113.62 118.73 1c07 n SER 13 Ca -0.17 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1c07 n SER 13 Cb 0.27 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 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 -2.76 2.47 -0.14 1.43 -0.04 -1.26 -4.03 135.00 130.67 1c07 n PRO 14 Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 1c07 n PRO 14 Cb 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.50 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 -0.32 0.55 0.00 -1.26 -0.34 120.51 116.20 1c07 n ALA 15 Ca 0.00 0.42 -0.09 0.00 0.00 0.00 0.00 53.44 53.77 1c07 n ALA 15 Cb 0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.02 -0.51 0.00 5.08 -1.97 1.43 114.58 118.59 1c07 h GLU 16 Ca 0.17 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.63 1c07 h GLU 16 Cb 0.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1c07 h GLU 16 CO -0.40 -0.01 0.35 -0.22 -1.00 0.00 0.00 179.01 177.73 1c07 h LYS 17 N -0.02 0.28 -0.04 2.33 3.11 -0.82 0.36 116.57 121.77 1c07 h LYS 17 Ca 0.12 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.92 1c07 h LYS 17 Cb 0.34 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.51 1c07 h LYS 17 CO -0.74 0.18 -0.10 0.00 -2.81 0.00 0.00 179.45 175.99 1c07 h ALA 18 N 1.74 0.06 0.00 5.00 0.00 0.13 0.32 119.26 126.51 1c07 h ALA 18 Ca 0.24 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1c07 h ALA 18 Cb 0.55 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1c07 h ALA 18 CO -0.05 -0.06 -0.03 -0.22 0.00 0.00 0.00 179.25 178.89 1c07 h LYS 19 N -0.41 0.00 0.09 0.00 3.64 0.22 -2.04 116.57 118.06 1c07 h LYS 19 Ca -0.00 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 1c07 h LYS 19 Cb 0.71 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1c07 h LYS 19 CO 0.02 0.03 -1.05 1.88 -2.27 0.00 0.00 179.45 178.06 1c07 h TYR 20 N 0.00 0.33 -1.00 1.91 0.05 -0.85 -2.69 116.97 114.72 1c07 h TYR 20 Ca -0.00 -0.24 0.11 0.00 0.05 0.00 0.00 58.73 58.65 1c07 h TYR 20 Cb 0.05 -0.01 -0.08 0.00 1.01 0.00 0.00 36.73 37.70 1c07 h TYR 20 CO 0.00 1.41 0.63 0.22 -1.05 0.00 0.00 178.16 179.37 1c07 h ASP 21 N -0.53 0.94 0.02 3.88 3.58 -0.12 2.36 116.42 126.56 1c07 h ASP 21 Ca -0.23 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.26 1c07 h ASP 21 Cb 1.55 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.46 1c07 h ASP 21 CO 0.03 0.51 -0.01 -0.33 -2.88 0.00 0.00 179.24 176.56 1c07 h GLU 22 N 1.01 -0.02 -0.70 0.28 4.39 -1.49 -3.10 114.58 114.94 1c07 h GLU 22 Ca 0.49 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.14 1c07 h GLU 22 Cb 0.46 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 1c07 h GLU 22 CO -0.25 0.44 0.22 0.82 -1.16 0.00 0.00 179.01 179.07 1c07 h ILE 23 N -0.50 1.25 -1.12 3.13 2.04 -0.99 -2.32 117.51 119.01 1c07 h ILE 23 Ca -0.00 -0.87 0.32 0.00 1.00 0.00 0.00 64.86 65.30 1c07 h ILE 23 Cb 0.47 0.49 -0.11 0.00 -0.74 0.00 0.00 36.82 36.93 1c07 h ILE 23 CO 0.00 0.34 0.72 0.15 0.00 0.00 0.00 178.15 179.37 1c07 h PHE 24 N 1.03 0.62 0.00 1.37 3.57 0.40 2.69 116.94 126.62 1c07 h PHE 24 Ca 0.23 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1c07 h PHE 24 Cb 0.29 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 1c07 h PHE 24 CO 0.02 -0.03 -0.05 -0.07 -2.23 0.00 0.00 178.31 175.95 1c07 h LEU 25 N 0.29 0.00 0.00 0.59 3.38 -1.37 -0.49 115.31 117.71 1c07 h LEU 25 Ca 0.67 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.64 1c07 h LEU 25 Cb 1.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1c07 h LEU 25 CO -0.34 0.05 -1.09 0.29 0.09 0.00 0.00 178.44 177.44 1c07 n LYS 26 N -3.20 0.43 -0.10 1.13 5.02 0.85 -4.47 118.16 117.82 1c07 n LYS 26 Ca -0.00 -0.03 -0.21 0.00 -2.02 0.00 0.00 58.31 56.05 1c07 n LYS 26 Cb 0.30 -1.45 -0.11 0.00 -0.02 0.00 0.00 35.03 33.74 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 0.88 -0.03 -0.18 2.02 0.71 -3.40 112.91 112.90 1c07 h THR 27 Ca 0.00 -2.13 -0.59 0.00 0.77 0.00 0.00 66.41 64.46 1c07 h THR 27 Cb 0.54 2.14 0.08 0.00 -1.74 0.00 0.00 68.15 69.17 1c07 h THR 27 CO 0.00 0.30 1.82 -0.67 0.37 0.00 0.00 175.52 177.34 1c07 n ASP 28 N -4.44 1.99 0.10 4.18 2.03 -0.25 -4.26 116.55 115.90 1c07 n ASP 28 Ca -0.31 -2.61 0.08 0.00 0.52 0.00 0.00 54.79 52.46 1c07 n ASP 28 Cb 0.67 -0.97 0.38 0.00 -0.72 0.00 0.00 41.12 40.48 1c07 n ASP 28 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1c07 n LYS 29 N 7.47 0.10 0.00 -0.67 4.01 -1.26 -1.18 118.16 126.62 1c07 n LYS 29 Ca 0.48 0.54 0.13 0.00 -0.51 0.00 0.00 58.31 58.95 1c07 n LYS 29 Cb 0.42 -1.78 0.35 0.00 -0.51 0.00 0.00 35.03 33.51 1c07 n LYS 29 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1c07 n ASP 30 N -1.97 2.05 -2.11 4.39 8.00 -1.26 -4.91 116.55 120.74 1c07 n ASP 30 Ca -0.00 -1.66 -0.06 0.00 0.71 0.00 0.00 54.79 53.78 1c07 n ASP 30 Cb 0.06 0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.17 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 0.58 -2.22 -0.06 -1.24 2.81 -0.32 -4.72 117.12 111.94 1c07 n MET 31 Ca 0.17 0.29 0.12 0.00 -1.81 0.00 0.00 57.70 56.46 1c07 n MET 31 Cb 0.45 -4.71 0.42 0.00 -0.71 0.00 0.00 33.22 28.67 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 -1.08 1.68 0.00 7.83 5.75 -1.26 -4.88 116.55 124.59 1c07 n ASP 32 Ca -0.06 -1.65 0.00 0.00 -0.01 0.00 0.00 54.79 53.07 1c07 n ASP 32 Cb 0.45 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 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 1.16 2.09 3.33 6.12 0.00 -1.26 -5.06 105.19 111.58 1c07 n GLY 33 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 1c07 n GLY 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1c07 s PHE 34 N -2.05 0.09 0.00 1.61 -0.71 -1.26 -4.24 117.98 111.42 1c07 s PHE 34 Ca 0.00 -0.45 -0.03 0.00 -1.04 0.00 0.00 56.93 55.41 1c07 s PHE 34 Cb 0.00 0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.88 1c07 s PHE 34 CO 0.00 -0.71 0.19 0.54 -1.34 0.00 0.00 175.22 173.90 1c07 s VAL 35 N -3.88 5.42 0.25 -2.49 0.11 -0.63 -4.65 120.40 114.54 1c07 s VAL 35 Ca 0.09 -0.17 -0.02 0.00 -2.93 0.00 0.00 61.98 58.95 1c07 s VAL 35 Cb 0.03 -3.55 -0.05 0.00 -1.53 0.00 0.00 36.38 31.28 1c07 s VAL 35 CO -0.06 0.30 0.48 -0.94 -3.33 0.00 0.00 175.10 171.55 1c07 s SER 36 N -2.00 6.40 0.56 3.54 1.04 -1.26 0.19 113.70 122.18 1c07 s SER 36 Ca 0.28 0.54 0.24 0.00 0.48 0.00 0.00 55.95 57.50 1c07 s SER 36 Cb -0.13 -2.07 1.33 0.00 0.10 0.00 0.00 66.02 65.26 1c07 s SER 36 CO 0.20 -0.14 1.72 1.23 0.98 0.00 0.00 173.24 177.23 1c07 h GLY 37 N 1.73 0.00 1.96 7.32 0.00 -1.91 0.16 103.07 112.33 1c07 h GLY 37 Ca -0.48 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.70 1c07 h GLY 37 CO 0.66 0.00 -0.68 1.41 0.00 0.00 0.00 176.54 177.93 1c07 h LEU 38 N 0.00 0.04 0.00 3.11 3.38 -1.95 -1.73 115.31 118.16 1c07 h LEU 38 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1c07 h LEU 38 Cb 0.65 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1c07 h LEU 38 CO 0.00 0.71 -0.38 -0.33 0.09 0.00 0.00 178.44 178.53 1c07 h GLU 39 N 0.03 0.00 0.00 1.13 5.08 -0.96 -3.33 114.58 116.52 1c07 h GLU 39 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1c07 h GLU 39 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1c07 h GLU 39 CO 0.09 0.00 0.25 -0.24 -1.00 0.00 0.00 179.01 178.11 1c07 h VAL 40 N -0.98 0.00 0.00 3.13 3.04 -1.64 -3.14 116.25 116.66 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 0.38 0.53 0.00 0.00 -2.01 0.00 0.00 31.29 30.19 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 -2.52 0.00 -0.38 4.17 0.63 -0.65 0.92 116.66 118.84 1c07 n ARG 41 Ca -0.02 0.54 0.29 0.00 -0.92 0.00 0.00 57.85 57.75 1c07 n ARG 41 Cb 0.29 -1.21 0.56 0.00 0.45 0.00 0.00 32.46 32.55 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 0.22 -0.28 -0.14 5.08 -1.77 1.19 114.58 118.88 1c07 h GLU 42 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1c07 h GLU 42 Cb 0.00 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1c07 h GLU 42 CO 0.00 0.15 0.15 0.82 -1.00 0.00 0.00 179.01 179.13 1c07 h ILE 43 N 0.23 1.12 0.00 3.13 2.04 -1.06 -2.53 117.51 120.44 1c07 h ILE 43 Ca 0.74 -0.33 -0.15 0.00 1.00 0.00 0.00 64.86 66.12 1c07 h ILE 43 Cb 2.04 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.93 1c07 h ILE 43 CO -0.45 0.12 -0.72 -0.26 0.00 0.00 0.00 178.15 176.84 1c07 h PHE 44 N 0.33 0.00 0.00 1.37 0.04 0.66 -3.00 116.94 116.35 1c07 h PHE 44 Ca 0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1c07 h PHE 44 Cb 0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 1c07 h PHE 44 CO -0.03 0.72 0.00 -0.07 -0.60 0.00 0.00 178.31 178.33 1c07 h LEU 45 N 0.00 0.00 0.00 1.54 3.38 0.14 0.13 115.31 120.50 1c07 h LEU 45 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1c07 h LEU 45 Cb 1.55 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.28 1c07 h LEU 45 CO 0.09 0.00 -0.55 0.11 0.09 0.00 0.00 178.44 178.18 1c07 h LYS 46 N 0.00 0.00 -0.47 1.13 1.57 -1.31 -3.25 116.57 114.24 1c07 h LYS 46 Ca 0.00 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 1c07 h LYS 46 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1c07 h LYS 46 CO 0.00 0.51 0.47 1.79 -0.57 0.00 0.00 179.45 181.65 1c07 h THR 47 N 0.00 0.41 0.00 -0.16 1.35 -0.88 -3.44 112.91 110.19 1c07 h THR 47 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1c07 h THR 47 Cb 1.40 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1c07 h THR 47 CO 0.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 1c07 n GLY 48 N -1.52 1.66 3.66 5.82 0.00 -1.23 -4.94 105.19 108.64 1c07 n GLY 48 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 1.79 0.59 0.99 1.02 -1.26 -4.99 118.68 116.81 1c07 s LEU 49 Ca 0.00 1.40 -0.17 0.00 0.02 0.00 0.00 54.13 55.39 1c07 s LEU 49 Cb 0.00 -3.64 -0.04 0.00 0.02 0.00 0.00 46.19 42.53 1c07 s LEU 49 CO 0.00 -3.12 1.08 -2.16 0.02 0.00 0.00 176.35 172.17 1c07 s PRO 50 N -4.86 3.23 0.04 1.29 0.04 -1.26 -4.92 135.00 128.57 1c07 s PRO 50 Ca 0.65 1.35 -0.26 0.00 0.04 0.00 0.00 61.00 62.79 1c07 s PRO 50 Cb -0.20 -2.01 -0.14 0.00 0.04 0.00 0.00 34.50 32.20 1c07 s PRO 50 CO 0.58 -0.90 1.39 1.03 0.04 0.00 0.00 177.00 179.14 1c07 h SER 51 N 0.59 -0.82 -1.00 6.66 0.87 -1.99 -2.57 113.55 115.29 1c07 h SER 51 Ca -0.48 0.04 0.23 0.00 -1.23 0.00 0.00 61.79 60.35 1c07 h SER 51 Cb 1.24 0.23 -0.19 0.00 -0.44 0.00 0.00 62.40 63.23 1c07 h SER 51 CO 0.56 -0.55 -0.14 0.74 -0.53 0.00 0.00 176.83 176.92 1c07 h THR 52 N -0.89 0.00 0.28 2.23 2.02 -1.98 0.20 112.91 114.77 1c07 h THR 52 Ca -0.09 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1c07 h THR 52 Cb 0.69 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1c07 h THR 52 CO 0.12 0.00 -0.35 0.25 0.37 0.00 0.00 175.52 175.91 1c07 h LEU 53 N 0.00 -0.98 -1.32 2.58 5.85 -1.91 0.73 115.31 120.27 1c07 h LEU 53 Ca 0.53 0.09 0.14 0.00 0.84 0.00 0.00 57.88 59.48 1c07 h LEU 53 Cb 0.93 0.34 -0.07 0.00 0.37 0.00 0.00 40.66 42.24 1c07 h LEU 53 CO -0.99 -0.48 0.57 -0.07 -0.34 0.00 0.00 178.44 177.13 1c07 h LEU 54 N -0.68 0.63 -0.46 2.25 3.38 -0.32 1.16 115.31 121.26 1c07 h LEU 54 Ca -0.01 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1c07 h LEU 54 Cb 0.64 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1c07 h LEU 54 CO -0.11 0.32 -0.10 0.00 0.09 0.00 0.00 178.44 178.65 1c07 h ALA 55 N 1.60 0.63 0.00 1.53 0.00 0.52 0.35 119.26 123.90 1c07 h ALA 55 Ca 0.44 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1c07 h ALA 55 Cb 0.71 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1c07 h ALA 55 CO -0.19 0.52 -0.27 1.25 0.00 0.00 0.00 179.25 180.56 1c07 h HIS 56 N 0.72 0.00 0.00 0.00 -0.00 0.40 -1.37 115.15 114.91 1c07 h HIS 56 Ca 0.12 0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 60.32 1c07 h HIS 56 Cb 0.64 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.03 1c07 h HIS 56 CO 0.05 0.27 -0.78 0.82 -0.00 0.00 0.00 177.93 178.28 1c07 h ILE 57 N 0.00 1.50 -0.30 6.26 2.04 0.22 -1.44 117.51 125.78 1c07 h ILE 57 Ca -0.00 -2.73 -0.03 0.00 1.00 0.00 0.00 64.86 63.10 1c07 h ILE 57 Cb 0.61 2.50 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 1c07 h ILE 57 CO 0.03 0.77 0.08 -0.25 0.00 0.00 0.00 178.15 178.78 1c07 h TRP 58 N 0.00 0.50 -0.26 1.37 2.91 0.79 0.13 115.95 121.39 1c07 h TRP 58 Ca -0.01 -0.06 -0.16 0.00 1.13 0.00 0.00 58.89 59.80 1c07 h TRP 58 Cb 1.43 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.93 1c07 h TRP 58 CO 0.00 0.53 -0.48 0.77 -1.03 0.00 0.00 178.44 178.23 1c07 h SER 59 N 0.33 0.76 0.46 2.65 0.02 -1.47 2.34 113.55 118.64 1c07 h SER 59 Ca 0.10 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1c07 h SER 59 Cb 0.27 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1c07 h SER 59 CO -0.00 1.11 0.00 0.18 -1.14 0.00 0.00 176.83 176.98 1c07 n LEU 60 N -4.00 0.61 -0.07 5.07 4.77 -0.55 -3.08 117.00 119.75 1c07 n LEU 60 Ca -0.03 0.70 -0.10 0.00 -0.03 0.00 0.00 56.01 56.55 1c07 n LEU 60 Cb 0.58 -0.66 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 1c07 n LEU 60 CO 0.47 -0.70 -0.93 0.00 -1.33 0.00 0.00 177.39 174.91 1c07 n ASP 62 N -3.00 1.40 -0.04 0.00 2.03 0.78 -4.59 116.55 113.13 1c07 n ASP 62 Ca -0.24 -2.48 -0.02 0.00 0.52 0.00 0.00 54.79 52.57 1c07 n ASP 62 Cb 0.74 -0.67 0.23 0.00 -0.72 0.00 0.00 41.12 40.69 1c07 n ASP 62 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1c07 h THR 63 N 4.71 1.23 0.00 5.18 1.35 -1.84 -1.79 112.91 121.74 1c07 h THR 63 Ca 0.28 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 1c07 h THR 63 Cb 0.60 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1c07 h THR 63 CO 1.89 0.33 0.16 0.11 -0.25 0.00 0.00 175.52 177.76 1c07 h LYS 64 N 0.58 0.00 -6.35 4.72 6.56 -1.90 -3.45 116.57 116.73 1c07 h LYS 64 Ca 0.11 0.00 -0.47 0.00 -1.06 0.00 0.00 60.65 59.24 1c07 h LYS 64 Cb 0.44 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.11 1c07 h LYS 64 CO 0.02 0.00 -0.89 -3.47 -2.06 0.00 0.00 179.45 173.05 1c07 n ASP 65 N -2.51 -1.91 0.00 0.86 2.03 -0.67 -4.86 116.55 109.48 1c07 n ASP 65 Ca -0.02 -0.98 0.00 0.00 0.52 0.00 0.00 54.79 54.31 1c07 n ASP 65 Cb 0.20 -3.31 0.00 0.00 -0.72 0.00 0.00 41.12 37.29 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 -0.25 0.35 3.55 0.00 0.00 -1.26 -5.03 105.19 102.55 1c07 n GLY 67 Ca 0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 1c07 n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c07 s LYS 68 N -3.60 1.71 -0.53 1.61 0.00 -1.26 -4.64 119.74 113.03 1c07 s LYS 68 Ca 0.00 -1.46 -0.01 0.00 0.00 0.00 0.00 55.97 54.50 1c07 s LYS 68 Cb 0.00 0.46 0.14 0.00 0.00 0.00 0.00 37.83 38.43 1c07 s LYS 68 CO 0.00 -0.71 0.31 -0.51 0.00 0.00 0.00 175.35 174.44 1c07 s LEU 69 N -3.11 4.99 0.00 2.77 1.43 0.52 -4.70 118.68 120.59 1c07 s LEU 69 Ca 0.26 -2.65 -0.02 0.00 -1.03 0.00 0.00 54.13 50.69 1c07 s LEU 69 Cb -0.01 -1.78 0.03 0.00 0.03 0.00 0.00 46.19 44.46 1c07 s LEU 69 CO 0.13 -0.38 0.07 -1.54 0.23 0.00 0.00 176.35 174.86 1c07 n SER 70 N 3.71 -1.37 0.00 2.29 3.41 -1.26 -1.60 113.62 118.81 1c07 n SER 70 Ca 0.05 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1c07 n SER 70 Cb 0.38 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1c07 n SER 70 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1c07 n LYS 71 N -1.17 0.00 -0.46 4.33 4.76 -1.26 -2.27 118.16 122.08 1c07 n LYS 71 Ca 0.01 0.00 0.42 0.00 -2.87 0.00 0.00 58.31 55.87 1c07 n LYS 71 Cb 0.05 -0.52 0.72 0.00 -1.84 0.00 0.00 35.03 33.43 1c07 n LYS 71 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 1c07 h ASP 72 N 0.00 0.00 0.74 4.39 3.04 -1.96 0.40 116.42 123.03 1c07 h ASP 72 Ca 0.00 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.75 1c07 h ASP 72 Cb 0.00 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.30 1c07 h ASP 72 CO 0.00 0.00 -0.36 1.56 -2.04 0.00 0.00 179.24 178.40 1c07 h GLN 73 N 0.00 -0.96 -1.39 4.15 4.20 -1.87 -2.22 115.11 117.01 1c07 h GLN 73 Ca 0.71 0.07 0.40 0.00 0.06 0.00 0.00 58.65 59.89 1c07 h GLN 73 Cb 3.11 0.22 -0.06 0.00 0.30 0.00 0.00 27.48 31.05 1c07 h GLN 73 CO -0.01 -0.62 1.02 0.35 -0.67 0.00 0.00 178.83 178.90 1c07 h PHE 74 N -1.20 0.00 0.00 2.96 3.57 -0.47 2.69 116.94 124.49 1c07 h PHE 74 Ca -0.10 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1c07 h PHE 74 Cb 0.78 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1c07 h PHE 74 CO -0.00 0.00 -0.03 0.00 -2.23 0.00 0.00 178.31 176.05 1c07 n ALA 75 N -2.79 2.33 -0.01 2.41 0.00 -0.91 -3.54 120.51 118.00 1c07 n ALA 75 Ca 0.30 -0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.55 1c07 n ALA 75 Cb 1.46 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 19.32 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 0.18 -0.36 0.00 5.85 0.53 -3.35 115.31 118.16 1c07 h LEU 76 Ca 0.00 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.34 1c07 h LEU 76 Cb 0.69 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1c07 h LEU 76 CO 0.00 1.36 0.19 0.00 -0.34 0.00 0.00 178.44 179.65 1c07 h ALA 77 N 0.61 0.44 -0.21 1.25 0.00 -1.43 -1.56 119.26 118.36 1c07 h ALA 77 Ca -0.34 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1c07 h ALA 77 Cb 2.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 1c07 h ALA 77 CO 0.09 -0.17 0.14 0.74 0.00 0.00 0.00 179.25 180.05 1c07 h PHE 78 N 0.39 0.20 -0.15 0.00 -1.00 -1.73 -0.60 116.94 114.05 1c07 h PHE 78 Ca 0.15 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.98 1c07 h PHE 78 Cb 0.04 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 1c07 h PHE 78 CO -0.09 0.12 0.16 1.25 -1.61 0.00 0.00 178.31 178.14 1c07 h HIS 79 N 0.21 0.00 0.00 -0.55 -0.00 -1.41 1.48 115.15 114.89 1c07 h HIS 79 Ca 0.09 0.00 -0.28 0.00 -0.00 0.00 0.00 60.37 60.18 1c07 h HIS 79 Cb 0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.45 1c07 h HIS 79 CO -0.00 0.00 -1.68 1.28 -0.00 0.00 0.00 177.93 177.53 1c07 n LEU 80 N -3.85 0.86 -0.03 0.26 4.77 -0.27 -3.64 117.00 115.10 1c07 n LEU 80 Ca 0.01 0.41 -0.13 0.00 -0.03 0.00 0.00 56.01 56.26 1c07 n LEU 80 Cb 0.28 0.16 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 1c07 n LEU 80 CO 0.28 0.36 0.52 0.40 -1.33 0.00 0.00 177.39 177.62 1c07 h ILE 81 N 0.00 1.51 -0.42 -0.08 1.08 -0.24 -3.14 117.51 116.22 1c07 h ILE 81 Ca -0.27 -1.62 0.12 0.00 -0.39 0.00 0.00 64.86 62.70 1c07 h ILE 81 Cb 1.96 2.60 -0.02 0.00 -3.07 0.00 0.00 36.82 38.30 1c07 h ILE 81 CO 0.07 0.42 0.38 -1.28 -0.69 0.00 0.00 178.15 177.05 1c07 h SER 82 N -0.72 0.00 0.97 1.72 0.87 0.17 0.28 113.55 116.85 1c07 h SER 82 Ca -0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1c07 h SER 82 Cb 0.69 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 1c07 h SER 82 CO 0.00 0.00 -0.29 1.56 -0.53 0.00 0.00 176.83 177.57 1c07 h GLN 83 N 0.00 0.00 0.00 2.24 4.20 -1.61 -2.95 115.11 116.99 1c07 h GLN 83 Ca 0.20 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.66 1c07 h GLN 83 Cb 0.97 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.70 1c07 h GLN 83 CO -0.00 0.29 -1.52 -0.22 -0.67 0.00 0.00 178.83 176.70 1c07 h LYS 84 N 0.00 0.00 0.15 1.46 1.63 -0.36 2.61 116.57 122.05 1c07 h LYS 84 Ca -0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1c07 h LYS 84 Cb 0.85 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 1c07 h LYS 84 CO 0.04 0.52 -0.07 -0.07 -3.45 0.00 0.00 179.45 176.41 1c07 h LEU 85 N 0.00 -0.17 0.00 5.20 3.38 -1.43 -1.74 115.31 120.55 1c07 h LEU 85 Ca -0.22 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1c07 h LEU 85 Cb 1.88 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.67 1c07 h LEU 85 CO 0.08 0.33 -1.08 -0.38 0.09 0.00 0.00 178.44 177.48 1c07 n ILE 86 N -4.90 0.22 0.11 1.22 2.08 -1.12 -4.31 119.36 112.65 1c07 n ILE 86 Ca -0.03 -0.30 0.01 0.00 0.56 0.00 0.00 62.75 62.99 1c07 n ILE 86 Cb 0.11 0.11 -0.02 0.00 -0.75 0.00 0.00 39.64 39.10 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 -2.08 5.18 -1.57 0.38 4.01 -0.77 -4.96 118.16 118.35 1c07 n LYS 87 Ca 0.01 -0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.69 1c07 n LYS 87 Cb 0.46 -0.70 -0.04 0.00 -0.51 0.00 0.00 35.03 34.24 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 1.26 0.84 3.84 0.72 0.00 0.64 -4.76 105.19 107.72 1c07 n GLY 88 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.15 4.83 0.68 -0.61 1.01 0.73 -4.78 121.20 120.90 1c07 s ILE 89 Ca 0.00 0.92 -0.09 0.00 0.00 0.00 0.00 60.65 61.47 1c07 s ILE 89 Cb 0.00 -3.77 0.02 0.00 0.01 0.00 0.00 42.46 38.73 1c07 s ILE 89 CO 0.00 0.30 1.04 -1.81 0.00 0.00 0.00 174.94 174.47 1c07 s ASP 90 N -1.60 5.32 0.76 3.58 1.11 -1.26 -3.03 116.67 121.55 1c07 s ASP 90 Ca 0.36 0.91 -0.12 0.00 0.18 0.00 0.00 52.55 53.87 1c07 s ASP 90 Cb -0.16 -1.71 0.06 0.00 1.07 0.00 0.00 42.92 42.18 1c07 s ASP 90 CO 0.19 -1.35 1.13 -2.16 1.18 0.00 0.00 175.17 174.16 1c07 s PRO 91 N -5.27 2.12 -0.68 8.23 0.04 -1.26 -4.85 135.00 133.33 1c07 s PRO 91 Ca 0.58 1.43 -0.05 0.00 0.04 0.00 0.00 61.00 62.99 1c07 s PRO 91 Cb -0.11 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 1c07 s PRO 91 CO 0.49 -1.78 2.33 -0.35 0.04 0.00 0.00 177.00 177.73 1c07 n PRO 92 N -3.22 1.98 0.00 0.56 -0.04 -1.26 -4.87 135.00 128.15 1c07 n PRO 92 Ca 0.11 -1.25 0.00 0.00 -0.04 0.00 0.00 63.50 62.31 1c07 n PRO 92 Cb 0.52 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 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 3.61 0.00 -3.36 0.54 8.25 -1.26 -4.40 115.22 118.60 1c07 n HIS 93 Ca 0.42 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.87 1c07 n HIS 93 Cb 0.30 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 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 -1.57 1.59 0.24 -1.26 -4.84 118.33 112.49 1c07 n VAL 94 Ca 0.00 -0.14 -0.29 0.00 -2.04 0.00 0.00 64.34 61.87 1c07 n VAL 94 Cb 0.00 -0.62 0.11 0.00 -1.47 0.00 0.00 33.84 31.86 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 2.29 0.17 1.34 2.01 -1.26 -4.99 118.68 118.24 1c07 s LEU 95 Ca 0.03 1.09 -0.07 0.00 0.01 0.00 0.00 54.13 55.19 1c07 s LEU 95 Cb -0.00 -3.55 -0.02 0.00 0.01 0.00 0.00 46.19 42.63 1c07 s LEU 95 CO 0.02 -2.26 0.24 0.42 1.01 0.00 0.00 176.35 175.78 1c07 s THR 96 N -3.25 0.05 0.31 5.49 -4.23 -1.26 -5.02 115.64 107.74 1c07 s THR 96 Ca 0.62 -1.59 0.14 0.00 -1.18 0.00 0.00 61.69 59.68 1c07 s THR 96 Cb -0.14 -2.03 0.07 0.00 1.34 0.00 0.00 72.50 71.74 1c07 s THR 96 CO 0.53 -0.25 1.76 1.55 -0.54 0.00 0.00 174.62 177.68 1c07 h PRO 97 N 2.58 0.00 0.00 3.99 0.13 -1.98 0.35 132.00 137.07 1c07 h PRO 97 Ca -0.32 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 1c07 h PRO 97 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1c07 h PRO 97 CO 0.49 0.44 -0.02 0.93 -0.23 0.00 0.00 178.00 179.61 1c07 h GLU 98 N 0.00 0.00 0.02 0.86 5.08 -1.96 -3.30 114.58 115.29 1c07 h GLU 98 Ca -0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 1c07 h GLU 98 Cb 0.81 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.01 1c07 h GLU 98 CO 0.06 0.02 -2.00 -0.12 -1.00 0.00 0.00 179.01 175.97 1c07 n MET 99 N -3.11 0.62 -1.60 2.33 1.56 -0.76 0.26 117.12 116.42 1c07 n MET 99 Ca 0.02 0.35 -0.42 0.00 -0.27 0.00 0.00 57.70 57.38 1c07 n MET 99 Cb 0.43 -1.62 0.00 0.00 2.15 0.00 0.00 33.22 34.18 1c07 n MET 99 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 1c07 n ILE 100 N -4.02 2.27 0.00 1.12 5.41 0.12 -4.49 119.36 119.76 1c07 n ILE 100 Ca -0.42 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 62.83 1c07 n ILE 100 Cb 0.86 -1.10 0.00 0.00 -0.71 0.00 0.00 39.64 38.69 1c07 n ILE 100 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1c07 n PRO 101 N 0.33 0.00 0.00 0.38 -0.04 -1.26 -4.40 135.00 130.01 1c07 n PRO 101 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1c07 n PRO 101 Cb 0.37 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 1c07 n PRO 101 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1c07 n PRO 102 N 0.00 -0.05 0.00 0.54 -0.04 -1.26 -4.86 135.00 129.33 1c07 n PRO 102 Ca 0.00 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.62 1c07 n PRO 102 Cb 0.00 0.00 0.90 0.00 -0.04 0.00 0.00 33.50 34.36 1c07 n PRO 102 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33