#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 -1.61 -1.07 -1.42 4.27 -1.26 -4.84 117.44 111.52 1c07 n TRP 10 Ca 0.00 0.20 0.00 0.00 -3.89 0.00 0.00 57.50 53.81 1c07 n TRP 10 Cb 0.00 -1.68 0.00 0.00 -1.36 0.00 0.00 31.31 28.27 1c07 n TRP 10 CO 0.00 0.00 0.00 1.33 -2.29 0.00 0.00 177.69 176.73 1c07 n VAL 11 N -3.84 0.00 -1.76 -1.67 0.24 0.77 -4.77 118.33 107.29 1c07 n VAL 11 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1c07 n VAL 11 Cb 0.57 -1.84 0.00 0.00 -1.47 0.00 0.00 33.84 31.10 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 -1.39 -0.61 0.09 3.34 3.14 -1.26 -4.95 118.33 116.68 1c07 n VAL 12 Ca 0.00 0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 1c07 n VAL 12 Cb 0.00 -1.43 0.00 0.00 -1.06 0.00 0.00 33.84 31.35 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 1.82 0.15 -1.45 6.55 7.64 -1.26 -4.64 113.62 122.42 1c07 n SER 13 Ca 0.00 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1c07 n SER 13 Cb 0.03 0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 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 -3.28 2.73 -0.15 1.43 -0.04 -1.26 -3.62 135.00 130.81 1c07 n PRO 14 Ca 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 1c07 n PRO 14 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 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 -0.23 -0.35 0.55 0.00 -1.26 -0.50 120.51 115.72 1c07 n ALA 15 Ca 0.00 0.30 -0.09 0.00 0.00 0.00 0.00 53.44 53.65 1c07 n ALA 15 Cb 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.33 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 -4.32 -0.37 -0.16 0.00 1.02 -1.26 0.18 120.64 115.73 1c07 n GLU 16 Ca 0.01 1.30 0.14 0.00 -0.02 0.00 0.00 57.16 58.59 1c07 n GLU 16 Cb 0.09 -1.91 0.49 0.00 -0.02 0.00 0.00 31.44 30.09 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 0.43 -0.16 3.49 3.11 -0.86 -1.05 116.57 121.54 1c07 h LYS 17 Ca 0.13 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 57.91 1c07 h LYS 17 Cb 0.34 -0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 31.47 1c07 h LYS 17 CO -0.78 0.28 -0.06 0.00 -2.81 0.00 0.00 179.45 176.09 1c07 h ALA 18 N 1.65 0.22 -0.31 5.00 0.00 0.20 0.59 119.26 126.61 1c07 h ALA 18 Ca 0.36 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1c07 h ALA 18 Cb 0.78 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1c07 h ALA 18 CO -0.12 0.00 0.22 -0.22 0.00 0.00 0.00 179.25 179.13 1c07 h LYS 19 N 0.01 0.05 0.00 0.00 3.64 0.58 -2.07 116.57 118.78 1c07 h LYS 19 Ca 0.04 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 1c07 h LYS 19 Cb 0.51 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1c07 h LYS 19 CO 0.02 0.03 -0.61 1.88 -2.27 0.00 0.00 179.45 178.50 1c07 h TYR 20 N 0.05 0.00 -0.98 1.91 0.05 -1.11 -2.84 116.97 114.05 1c07 h TYR 20 Ca 0.14 0.00 0.26 0.00 0.05 0.00 0.00 58.73 59.19 1c07 h TYR 20 Cb 0.51 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.19 1c07 h TYR 20 CO -0.00 1.24 0.67 0.22 -1.05 0.00 0.00 178.16 179.24 1c07 h ASP 21 N -1.00 0.20 0.57 3.88 3.58 -0.63 1.87 116.42 124.89 1c07 h ASP 21 Ca -0.17 0.03 -0.26 0.00 0.42 0.00 0.00 57.03 57.05 1c07 h ASP 21 Cb 1.15 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 1c07 h ASP 21 CO -0.10 0.06 -1.16 -0.33 -2.88 0.00 0.00 179.24 174.82 1c07 h GLU 22 N 0.18 0.30 0.10 0.28 4.39 -1.48 -3.30 114.58 115.06 1c07 h GLU 22 Ca 0.50 -0.45 -0.27 0.00 0.34 0.00 0.00 59.36 59.48 1c07 h GLU 22 Cb 1.63 0.16 0.03 0.00 -0.10 0.00 0.00 28.75 30.47 1c07 h GLU 22 CO -0.11 1.18 -1.11 0.82 -1.16 0.00 0.00 179.01 178.63 1c07 h ILE 23 N 0.11 1.32 -0.75 3.13 2.04 0.37 -3.12 117.51 120.61 1c07 h ILE 23 Ca -0.12 -2.41 0.22 0.00 1.00 0.00 0.00 64.86 63.55 1c07 h ILE 23 Cb 1.87 2.73 -0.03 0.00 -0.74 0.00 0.00 36.82 40.65 1c07 h ILE 23 CO 0.19 0.73 0.74 0.15 0.00 0.00 0.00 178.15 179.96 1c07 h PHE 24 N 0.16 0.00 0.00 1.37 3.04 0.25 2.86 116.94 124.62 1c07 h PHE 24 Ca -0.17 0.00 -0.15 0.00 3.98 0.00 0.00 57.97 61.63 1c07 h PHE 24 Cb 1.81 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 40.30 1c07 h PHE 24 CO 0.13 0.00 -0.73 -0.07 -2.02 0.00 0.00 178.31 175.62 1c07 h LEU 25 N 0.00 0.00 -0.17 0.59 3.38 -1.61 -0.58 115.31 116.92 1c07 h LEU 25 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1c07 h LEU 25 Cb 1.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.58 1c07 h LEU 25 CO -0.00 0.73 -0.84 1.17 0.09 0.00 0.00 178.44 179.58 1c07 n LYS 26 N -3.47 0.21 -0.08 1.13 4.81 0.80 -4.44 118.16 117.12 1c07 n LYS 26 Ca -0.00 -0.17 -0.10 0.00 -0.87 0.00 0.00 58.31 57.17 1c07 n LYS 26 Cb 0.76 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 34.27 1c07 n LYS 26 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1c07 n THR 27 N -1.25 1.45 -1.84 3.15 -1.04 0.68 -4.60 114.28 110.83 1c07 n THR 27 Ca 0.05 0.14 -0.22 0.00 -2.04 0.00 0.00 64.05 61.98 1c07 n THR 27 Cb 0.35 -2.29 -0.09 0.00 -1.82 0.00 0.00 70.33 66.49 1c07 n THR 27 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1c07 s ASP 28 N -6.07 4.24 0.00 8.00 2.15 -0.24 -4.32 116.67 120.43 1c07 s ASP 28 Ca -0.20 -1.32 0.00 0.00 0.43 0.00 0.00 52.55 51.46 1c07 s ASP 28 Cb 0.03 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 1c07 s ASP 28 CO 0.33 -3.91 0.82 0.29 -0.17 0.00 0.00 175.17 172.53 1c07 n LYS 29 N 8.23 0.92 -0.28 4.34 5.02 -1.26 -3.20 118.16 131.94 1c07 n LYS 29 Ca 0.43 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.79 1c07 n LYS 29 Cb 0.47 -1.11 0.20 0.00 -0.02 0.00 0.00 35.03 34.57 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 -0.38 3.33 -3.43 4.39 8.00 -1.26 -4.95 116.55 122.26 1c07 n ASP 30 Ca 0.00 -2.23 -0.21 0.00 0.71 0.00 0.00 54.79 53.06 1c07 n ASP 30 Cb 0.05 -0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 40.79 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 0.44 -2.27 -0.07 -1.24 2.81 -1.19 -4.73 117.12 110.86 1c07 n MET 31 Ca 0.15 0.18 0.05 0.00 -1.81 0.00 0.00 57.70 56.28 1c07 n MET 31 Cb 0.57 -4.76 0.09 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 -2.04 2.29 -0.29 7.83 5.68 -1.26 -4.95 116.55 123.81 1c07 n ASP 32 Ca 0.03 -1.67 -0.04 0.00 -0.50 0.00 0.00 54.79 52.62 1c07 n ASP 32 Cb 0.50 -0.09 -0.02 0.00 -1.14 0.00 0.00 41.12 40.37 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 0.54 0.59 2.80 6.12 0.00 -1.26 -4.95 105.19 109.04 1c07 n GLY 33 Ca 0.08 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 1c07 n GLY 33 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1c07 s PHE 34 N -1.83 -0.52 -0.01 1.61 2.19 -1.26 -4.33 117.98 113.84 1c07 s PHE 34 Ca 0.00 0.21 -0.19 0.00 0.33 0.00 0.00 56.93 57.28 1c07 s PHE 34 Cb 0.00 -0.30 -0.05 0.00 -1.31 0.00 0.00 43.02 41.35 1c07 s PHE 34 CO 0.00 -0.78 0.56 0.54 1.83 0.00 0.00 175.22 177.37 1c07 s VAL 35 N 2.40 4.93 0.52 3.12 0.11 -1.05 -4.72 120.40 125.72 1c07 s VAL 35 Ca 0.09 1.16 0.08 0.00 -2.93 0.00 0.00 61.98 60.38 1c07 s VAL 35 Cb -0.15 -3.89 0.05 0.00 -1.53 0.00 0.00 36.38 30.86 1c07 s VAL 35 CO -0.22 0.44 0.59 -0.44 -3.33 0.00 0.00 175.10 172.14 1c07 s SER 36 N -0.32 5.03 -0.35 3.54 0.01 -1.26 0.29 113.70 120.63 1c07 s SER 36 Ca 0.29 -0.89 -0.04 0.00 1.31 0.00 0.00 55.95 56.62 1c07 s SER 36 Cb -0.18 0.08 -0.09 0.00 0.21 0.00 0.00 66.02 66.05 1c07 s SER 36 CO 0.16 -1.10 1.94 0.61 0.41 0.00 0.00 173.24 175.26 1c07 n GLY 37 N -1.95 2.36 0.22 3.44 0.00 -1.26 -2.46 105.19 105.54 1c07 n GLY 37 Ca 0.08 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1c07 n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1c07 n LEU 38 N 3.50 0.01 -0.06 0.99 4.77 -1.26 -4.66 117.00 120.29 1c07 n LEU 38 Ca 0.28 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.22 1c07 n LEU 38 Cb 0.28 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1c07 n LEU 38 CO 0.41 -0.05 -0.31 -0.62 -1.33 0.00 0.00 177.39 175.49 1c07 n GLU 39 N -1.61 0.38 0.20 3.23 1.02 -1.03 -3.95 120.64 118.88 1c07 n GLU 39 Ca 0.00 0.45 0.17 0.00 -0.02 0.00 0.00 57.16 57.77 1c07 n GLU 39 Cb 0.00 -1.51 0.72 0.00 -0.02 0.00 0.00 31.44 30.63 1c07 n GLU 39 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1c07 h VAL 40 N -0.83 0.16 -0.47 2.62 3.04 -1.75 -2.04 116.25 116.99 1c07 h VAL 40 Ca 0.00 0.00 0.09 0.00 -1.01 0.00 0.00 66.70 65.78 1c07 h VAL 40 Cb 0.46 0.59 -0.10 0.00 -2.01 0.00 0.00 31.29 30.23 1c07 h VAL 40 CO 0.00 0.00 -0.33 0.08 -1.01 0.00 0.00 177.57 176.31 1c07 h ARG 41 N 0.00 -0.21 -0.66 4.17 0.11 -1.76 1.37 114.38 117.39 1c07 h ARG 41 Ca 0.11 0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.20 1c07 h ARG 41 Cb 1.04 0.05 -0.03 0.00 1.11 0.00 0.00 29.97 32.14 1c07 h ARG 41 CO -0.00 -0.14 0.40 1.49 0.10 0.00 0.00 179.97 181.82 1c07 h GLU 42 N -0.22 0.89 -0.95 0.08 4.81 -1.57 1.12 114.58 118.74 1c07 h GLU 42 Ca 0.19 -0.08 0.12 0.00 -0.13 0.00 0.00 59.36 59.47 1c07 h GLU 42 Cb 0.54 -0.19 -0.09 0.00 0.63 0.00 0.00 28.75 29.65 1c07 h GLU 42 CO -0.59 0.64 0.58 0.82 -0.73 0.00 0.00 179.01 179.72 1c07 h ILE 43 N 0.90 0.88 -0.00 2.32 2.04 -0.64 -0.56 117.51 122.44 1c07 h ILE 43 Ca 0.24 -0.31 -0.10 0.00 1.00 0.00 0.00 64.86 65.69 1c07 h ILE 43 Cb -0.03 -0.09 0.01 0.00 -0.74 0.00 0.00 36.82 35.97 1c07 h ILE 43 CO -0.04 0.16 -0.40 -0.26 0.00 0.00 0.00 178.15 177.61 1c07 h PHE 44 N 0.89 0.40 -0.38 1.37 0.04 0.34 -3.03 116.94 116.57 1c07 h PHE 44 Ca 0.48 -0.22 0.11 0.00 2.80 0.00 0.00 57.97 61.14 1c07 h PHE 44 Cb 0.52 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.61 1c07 h PHE 44 CO -0.03 1.03 0.54 -0.07 -0.60 0.00 0.00 178.31 179.19 1c07 h LEU 45 N -0.34 0.00 -0.64 1.54 3.38 0.21 2.03 115.31 121.50 1c07 h LEU 45 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1c07 h LEU 45 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1c07 h LEU 45 CO 0.08 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.72 1c07 h LYS 46 N 0.00 0.00 0.00 1.13 1.57 -1.01 -2.84 116.57 115.42 1c07 h LYS 46 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1c07 h LYS 46 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1c07 h LYS 46 CO -0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1c07 h THR 47 N 0.00 0.00 -0.70 -0.16 1.35 0.32 -3.46 112.91 110.26 1c07 h THR 47 Ca 0.00 -0.48 -0.12 0.00 -0.55 0.00 0.00 66.41 65.26 1c07 h THR 47 Cb 0.54 1.46 -0.02 0.00 -1.73 0.00 0.00 68.15 68.40 1c07 h THR 47 CO 0.00 0.00 -0.14 0.61 -0.25 0.00 0.00 175.52 175.74 1c07 n GLY 48 N 0.02 0.34 3.97 5.82 0.00 -1.07 -4.92 105.19 109.35 1c07 n GLY 48 Ca 0.01 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.66 3.80 0.99 0.99 1.02 -1.26 -5.10 118.68 117.46 1c07 s LEU 49 Ca 0.00 0.10 -0.14 0.00 0.02 0.00 0.00 54.13 54.10 1c07 s LEU 49 Cb 0.00 -2.99 0.19 0.00 0.02 0.00 0.00 46.19 43.40 1c07 s LEU 49 CO 0.00 -0.57 1.15 -2.16 0.02 0.00 0.00 176.35 174.79 1c07 s PRO 50 N -4.39 0.47 0.00 1.29 0.04 -1.26 -4.90 135.00 126.25 1c07 s PRO 50 Ca 0.46 0.13 -0.06 0.00 0.04 0.00 0.00 61.00 61.57 1c07 s PRO 50 Cb -0.10 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 1c07 s PRO 50 CO 0.35 -2.62 0.75 1.03 0.04 0.00 0.00 177.00 176.55 1c07 h SER 51 N -1.80 -0.18 -0.52 6.66 0.87 -2.00 -2.89 113.55 113.69 1c07 h SER 51 Ca -0.49 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.13 1c07 h SER 51 Cb 1.31 0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 63.24 1c07 h SER 51 CO 0.52 -0.09 -0.43 0.74 -0.53 0.00 0.00 176.83 177.04 1c07 h THR 52 N -0.30 0.00 -0.80 2.23 2.02 -1.99 -1.21 112.91 112.86 1c07 h THR 52 Ca -0.02 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.27 1c07 h THR 52 Cb 0.17 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.44 1c07 h THR 52 CO 0.04 0.00 -0.42 0.25 0.37 0.00 0.00 175.52 175.75 1c07 h LEU 53 N -0.15 -1.51 -1.45 2.58 5.85 -1.97 1.00 115.31 119.67 1c07 h LEU 53 Ca 0.09 0.28 0.18 0.00 0.84 0.00 0.00 57.88 59.26 1c07 h LEU 53 Cb 0.37 0.73 -0.07 0.00 0.37 0.00 0.00 40.66 42.07 1c07 h LEU 53 CO -0.57 -0.30 0.57 -0.07 -0.34 0.00 0.00 178.44 177.74 1c07 h LEU 54 N -0.10 0.48 -0.16 2.25 3.38 -1.03 1.53 115.31 121.66 1c07 h LEU 54 Ca 0.25 0.04 -0.22 0.00 0.09 0.00 0.00 57.88 58.04 1c07 h LEU 54 Cb 0.55 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1c07 h LEU 54 CO -0.84 0.21 -0.97 0.00 0.09 0.00 0.00 178.44 176.94 1c07 h ALA 55 N 1.62 0.39 -0.06 1.53 0.00 0.15 -2.09 119.26 120.80 1c07 h ALA 55 Ca 0.45 -0.76 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 1c07 h ALA 55 Cb 0.99 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1c07 h ALA 55 CO -0.18 0.92 -0.74 1.25 0.00 0.00 0.00 179.25 180.50 1c07 h HIS 56 N 0.13 0.45 0.00 0.00 -0.00 0.44 -2.58 115.15 113.59 1c07 h HIS 56 Ca -0.07 -0.20 0.00 0.00 -0.00 0.00 0.00 60.37 60.10 1c07 h HIS 56 Cb 1.62 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.96 1c07 h HIS 56 CO 0.04 0.95 0.00 0.82 -0.00 0.00 0.00 177.93 179.74 1c07 h ILE 57 N 0.22 0.00 -0.18 6.26 2.04 0.20 -2.78 117.51 123.27 1c07 h ILE 57 Ca -0.03 -0.63 -0.10 0.00 1.00 0.00 0.00 64.86 65.10 1c07 h ILE 57 Cb 1.31 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 39.02 1c07 h ILE 57 CO 0.12 0.00 -0.27 -0.25 0.00 0.00 0.00 178.15 177.75 1c07 h TRP 58 N 0.00 0.61 0.00 1.37 2.91 -0.96 -2.46 115.95 117.42 1c07 h TRP 58 Ca 0.00 -0.21 -0.09 0.00 1.13 0.00 0.00 58.89 59.72 1c07 h TRP 58 Cb 0.64 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 29.16 1c07 h TRP 58 CO 0.00 0.91 -0.43 1.03 -1.03 0.00 0.00 178.44 178.92 1c07 h SER 59 N 0.14 0.00 0.89 2.65 0.87 -1.45 1.71 113.55 118.35 1c07 h SER 59 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1c07 h SER 59 Cb 0.85 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1c07 h SER 59 CO 0.06 0.43 0.00 0.18 -0.53 0.00 0.00 176.83 176.98 1c07 n LEU 60 N -3.79 0.42 -0.02 2.23 4.77 -1.06 -3.44 117.00 116.11 1c07 n LEU 60 Ca -0.01 0.57 -0.02 0.00 -0.03 0.00 0.00 56.01 56.52 1c07 n LEU 60 Cb 0.49 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1c07 n LEU 60 CO 0.39 -0.30 -0.64 0.00 -1.33 0.00 0.00 177.39 175.51 1c07 n ASP 62 N -2.24 7.05 -0.22 0.00 2.03 0.57 -4.38 116.55 119.36 1c07 n ASP 62 Ca -0.07 -2.79 0.27 0.00 0.52 0.00 0.00 54.79 52.71 1c07 n ASP 62 Cb 0.62 -1.41 0.66 0.00 -0.72 0.00 0.00 41.12 40.28 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 2.40 0.56 -0.11 5.18 1.35 -1.82 0.40 112.91 120.87 1c07 h THR 63 Ca 0.53 -0.04 0.03 0.00 -0.55 0.00 0.00 66.41 66.38 1c07 h THR 63 Cb 0.76 0.43 -0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1c07 h THR 63 CO 1.05 0.02 0.53 0.11 -0.25 0.00 0.00 175.52 176.98 1c07 h LYS 64 N 0.12 0.00 -6.66 4.72 1.79 -1.90 -3.44 116.57 111.20 1c07 h LYS 64 Ca 0.47 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 58.40 1c07 h LYS 64 Cb 1.63 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 32.21 1c07 h LYS 64 CO -0.07 0.00 -0.93 -0.25 -1.08 0.00 0.00 179.45 177.12 1c07 n ASP 65 N -2.95 -0.84 0.00 0.86 9.92 0.14 -4.83 116.55 118.86 1c07 n ASP 65 Ca 0.01 -1.10 0.00 0.00 -0.53 0.00 0.00 54.79 53.17 1c07 n ASP 65 Cb 0.59 -2.60 0.00 0.00 -0.64 0.00 0.00 41.12 38.48 1c07 n ASP 65 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1c07 n GLY 67 N 0.36 1.74 3.11 0.00 0.00 -1.26 -5.05 105.19 104.10 1c07 n GLY 67 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.92 0.91 -3.96 1.61 5.02 -1.26 -4.10 118.16 114.45 1c07 n LYS 68 Ca 0.00 -3.04 -0.32 0.00 -2.02 0.00 0.00 58.31 52.93 1c07 n LYS 68 Cb 0.00 0.65 -0.14 0.00 -0.02 0.00 0.00 35.03 35.52 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 4.85 0.00 -0.35 0.20 0.82 -4.79 118.68 119.42 1c07 s LEU 69 Ca 0.09 -2.20 -0.03 0.00 0.69 0.00 0.00 54.13 52.69 1c07 s LEU 69 Cb -0.01 -1.68 0.04 0.00 -0.43 0.00 0.00 46.19 44.12 1c07 s LEU 69 CO 0.06 -0.40 0.09 -1.20 -0.29 0.00 0.00 176.35 174.60 1c07 n SER 70 N 4.23 -2.04 0.00 3.68 7.64 -1.26 -2.54 113.62 123.33 1c07 n SER 70 Ca 0.03 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1c07 n SER 70 Cb 0.41 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 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 -2.14 0.00 0.28 1.43 4.76 -1.26 -1.89 118.16 119.34 1c07 n LYS 71 Ca 0.01 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.58 1c07 n LYS 71 Cb 0.06 -0.75 0.60 0.00 -1.84 0.00 0.00 35.03 33.10 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 -0.01 4.39 3.32 -1.97 -0.44 116.42 121.71 1c07 h ASP 72 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1c07 h ASP 72 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1c07 h ASP 72 CO 0.00 0.00 -0.03 1.56 -1.72 0.00 0.00 179.24 179.05 1c07 h GLN 73 N 0.00 0.03 0.00 3.56 1.08 -1.76 -2.70 115.11 115.33 1c07 h GLN 73 Ca 0.05 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1c07 h GLN 73 Cb 1.14 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.57 1c07 h GLN 73 CO -0.00 0.67 -0.04 0.35 -0.95 0.00 0.00 178.83 178.86 1c07 h PHE 74 N -0.60 0.00 0.00 2.96 3.04 -0.35 0.11 116.94 122.09 1c07 h PHE 74 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1c07 h PHE 74 Cb 0.68 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.19 1c07 h PHE 74 CO 0.15 0.04 0.00 0.00 -2.02 0.00 0.00 178.31 176.48 1c07 n ALA 75 N -2.37 2.19 -0.01 2.41 0.00 -1.07 -3.33 120.51 118.33 1c07 n ALA 75 Ca -0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 1c07 n ALA 75 Cb 0.13 -1.45 -0.12 0.00 0.00 0.00 0.00 19.45 18.00 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 -2.12 0.83 0.09 0.00 0.00 0.35 -4.07 117.00 112.08 1c07 n LEU 76 Ca 0.05 0.39 -0.13 0.00 0.00 0.00 0.00 56.01 56.32 1c07 n LEU 76 Cb 0.38 0.15 -0.08 0.00 0.00 0.00 0.00 43.42 43.88 1c07 n LEU 76 CO 0.28 0.32 0.73 0.00 0.00 0.00 0.00 177.39 178.72 1c07 h ALA 77 N 1.13 -0.18 -0.92 1.96 0.00 -1.49 -2.51 119.26 117.24 1c07 h ALA 77 Ca -0.26 -0.11 0.22 0.00 0.00 0.00 0.00 54.91 54.76 1c07 h ALA 77 Cb 1.90 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.69 1c07 h ALA 77 CO 0.07 -0.51 0.62 0.74 0.00 0.00 0.00 179.25 180.16 1c07 h PHE 78 N -0.36 0.43 -0.02 0.00 -1.00 -1.74 0.42 116.94 114.67 1c07 h PHE 78 Ca -0.02 0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.78 1c07 h PHE 78 Cb 0.29 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 39.72 1c07 h PHE 78 CO -0.01 0.10 0.13 1.25 -1.61 0.00 0.00 178.31 178.17 1c07 h HIS 79 N 0.31 0.00 0.00 -0.55 2.76 -1.59 -1.11 115.15 114.97 1c07 h HIS 79 Ca 0.48 0.00 -0.37 0.00 -2.20 0.00 0.00 60.37 58.28 1c07 h HIS 79 Cb 1.34 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 30.23 1c07 h HIS 79 CO -0.00 0.00 -2.37 1.28 -1.30 0.00 0.00 177.93 175.54 1c07 n LEU 80 N -3.15 0.52 0.37 0.26 4.77 0.14 -4.31 117.00 115.61 1c07 n LEU 80 Ca -0.02 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.79 1c07 n LEU 80 Cb 0.20 0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 1c07 n LEU 80 CO 0.19 0.56 0.51 0.40 -1.33 0.00 0.00 177.39 177.73 1c07 h ILE 81 N 0.00 0.19 -1.20 -0.08 2.04 -0.74 -2.82 117.51 114.91 1c07 h ILE 81 Ca -0.54 -0.20 0.39 0.00 1.00 0.00 0.00 64.86 65.52 1c07 h ILE 81 Cb 2.18 0.24 -0.13 0.00 -0.74 0.00 0.00 36.82 38.37 1c07 h ILE 81 CO 0.01 0.02 0.75 0.28 0.00 0.00 0.00 178.15 179.21 1c07 h SER 82 N -1.11 0.32 -0.21 1.72 0.02 -1.53 0.93 113.55 113.69 1c07 h SER 82 Ca -0.10 0.15 0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1c07 h SER 82 Cb 0.76 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 1c07 h SER 82 CO 0.16 -0.17 0.14 1.56 -1.14 0.00 0.00 176.83 177.39 1c07 h GLN 83 N 0.15 0.12 0.00 3.45 7.50 -1.69 -0.32 115.11 124.32 1c07 h GLN 83 Ca 0.78 -0.01 -0.05 0.00 0.50 0.00 0.00 58.65 59.87 1c07 h GLN 83 Cb 2.26 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 29.76 1c07 h GLN 83 CO -0.47 0.08 -1.17 1.17 -1.50 0.00 0.00 178.83 176.95 1c07 n LYS 84 N -4.50 0.61 -0.06 1.46 0.00 0.32 0.28 118.16 116.27 1c07 n LYS 84 Ca 0.01 0.14 -0.20 0.00 0.00 0.00 0.00 58.31 58.26 1c07 n LYS 84 Cb 0.20 -1.81 -0.13 0.00 0.00 0.00 0.00 35.03 33.29 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 0.00 0.14 0.00 3.14 3.38 -0.82 -3.27 115.31 117.88 1c07 h LEU 85 Ca -0.05 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1c07 h LEU 85 Cb 1.18 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1c07 h LEU 85 CO 0.01 1.46 -0.47 -0.38 0.09 0.00 0.00 178.44 179.15 1c07 n ILE 86 N -4.26 0.00 0.08 1.22 2.08 -0.21 -4.60 119.36 113.68 1c07 n ILE 86 Ca -0.26 -0.27 0.01 0.00 0.56 0.00 0.00 62.75 62.79 1c07 n ILE 86 Cb 0.73 0.99 -0.01 0.00 -0.75 0.00 0.00 39.64 40.60 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 -1.23 6.23 -1.10 0.38 4.76 -0.94 -4.98 118.16 121.27 1c07 n LYS 87 Ca 0.02 -0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.42 1c07 n LYS 87 Cb 0.15 -0.60 -0.01 0.00 -1.84 0.00 0.00 35.03 32.73 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 1.08 0.39 3.96 0.72 0.00 0.59 -4.84 105.19 107.08 1c07 n GLY 88 Ca 0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.42 2.53 0.31 -0.61 1.01 0.79 -4.80 121.20 119.01 1c07 s ILE 89 Ca 0.00 -0.53 0.09 0.00 0.00 0.00 0.00 60.65 60.21 1c07 s ILE 89 Cb 0.00 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 1c07 s ILE 89 CO 0.00 0.00 0.01 -1.81 0.00 0.00 0.00 174.94 173.14 1c07 s ASP 90 N -4.46 4.32 0.77 3.58 1.11 -1.26 -2.48 116.67 118.25 1c07 s ASP 90 Ca 0.58 -0.84 -0.12 0.00 0.18 0.00 0.00 52.55 52.35 1c07 s ASP 90 Cb -0.10 -0.65 0.06 0.00 1.07 0.00 0.00 42.92 43.30 1c07 s ASP 90 CO 0.41 -0.14 1.11 -2.16 1.18 0.00 0.00 175.17 175.57 1c07 s PRO 91 N -3.70 2.19 1.17 8.23 0.04 -1.26 -4.98 135.00 136.68 1c07 s PRO 91 Ca 0.34 1.31 -0.19 0.00 0.04 0.00 0.00 61.00 62.49 1c07 s PRO 91 Cb -0.03 -1.88 0.28 0.00 0.04 0.00 0.00 34.50 32.91 1c07 s PRO 91 CO 0.20 -1.71 1.16 -1.25 0.04 0.00 0.00 177.00 175.44 1c07 s PRO 92 N -4.64 -0.97 0.00 0.56 0.04 -1.26 -5.02 135.00 123.72 1c07 s PRO 92 Ca 0.64 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.48 1c07 s PRO 92 Cb -0.19 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1c07 s PRO 92 CO 0.53 -3.52 0.27 0.72 0.04 0.00 0.00 177.00 175.04 1c07 n HIS 93 N -4.60 0.00 -3.45 0.56 8.25 -1.26 -4.97 115.22 109.75 1c07 n HIS 93 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1c07 n HIS 93 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 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 -0.34 0.00 -2.44 1.59 0.24 -1.26 -4.87 118.33 111.25 1c07 n VAL 94 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.97 1c07 n VAL 94 Cb 0.00 -0.11 -0.03 0.00 -1.47 0.00 0.00 33.84 32.23 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 3.72 0.37 1.34 1.43 -1.26 -4.94 118.68 119.34 1c07 s LEU 95 Ca 0.00 1.76 0.06 0.00 -1.03 0.00 0.00 54.13 54.91 1c07 s LEU 95 Cb 0.00 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.61 1c07 s LEU 95 CO 0.00 -0.73 0.03 0.42 0.23 0.00 0.00 176.35 176.30 1c07 s THR 96 N -2.31 1.63 0.37 5.49 -4.23 -1.26 -4.99 115.64 110.34 1c07 s THR 96 Ca 0.63 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.36 1c07 s THR 96 Cb -0.13 -2.90 0.23 0.00 1.34 0.00 0.00 72.50 71.04 1c07 s THR 96 CO 0.26 -0.00 1.98 1.55 -0.54 0.00 0.00 174.62 177.87 1c07 h PRO 97 N 1.93 0.00 0.00 3.99 0.13 -1.98 0.17 132.00 136.24 1c07 h PRO 97 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1c07 h PRO 97 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1c07 h PRO 97 CO 0.76 0.19 0.00 0.39 -0.23 0.00 0.00 178.00 179.11 1c07 n GLU 98 N -3.78 0.29 -0.07 0.86 1.02 -1.26 -3.37 120.64 114.34 1c07 n GLU 98 Ca -0.02 0.01 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 1c07 n GLU 98 Cb 0.30 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.12 1c07 n GLU 98 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1c07 n MET 99 N -1.35 1.54 -2.09 3.49 1.56 0.05 0.27 117.12 120.59 1c07 n MET 99 Ca 0.12 0.02 -0.43 0.00 -0.27 0.00 0.00 57.70 57.14 1c07 n MET 99 Cb 0.26 -1.32 -0.03 0.00 2.15 0.00 0.00 33.22 34.28 1c07 n MET 99 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 1c07 s ILE 100 N -2.31 3.62 0.18 1.12 1.01 0.38 -4.74 121.20 120.46 1c07 s ILE 100 Ca -0.10 0.66 0.11 0.00 0.00 0.00 0.00 60.65 61.31 1c07 s ILE 100 Cb 0.04 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 1c07 s ILE 100 CO 0.48 -0.42 1.52 1.55 0.00 0.00 0.00 174.94 178.08 1c07 h PRO 101 N 11.74 0.00 -5.82 2.79 0.13 -1.90 -3.42 132.00 135.51 1c07 h PRO 101 Ca -0.33 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.43 1c07 h PRO 101 Cb 1.15 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 1c07 h PRO 101 CO 1.03 0.68 0.96 -1.25 -0.23 0.00 0.00 178.00 179.19 1c07 s PRO 102 N -3.31 2.61 0.00 1.56 0.04 -1.26 -5.06 135.00 129.58 1c07 s PRO 102 Ca -0.00 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.02 1c07 s PRO 102 Cb 0.11 -4.84 0.00 0.00 0.04 0.00 0.00 34.50 29.81 1c07 s PRO 102 CO 0.77 -3.12 0.00 0.43 0.04 0.00 0.00 177.00 175.11