#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 -2.43 0.26 -1.42 -0.00 0.18 -4.87 117.44 109.16 1c07 n TRP 10 Ca 0.00 1.36 0.15 0.00 -0.00 0.00 0.00 57.50 59.01 1c07 n TRP 10 Cb 0.00 -2.85 0.61 0.00 -0.00 0.00 0.00 31.31 29.07 1c07 n TRP 10 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 177.69 177.30 1c07 h VAL 11 N 2.13 0.12 -2.13 5.87 -1.51 -1.52 -3.34 116.25 115.87 1c07 h VAL 11 Ca -0.26 -0.67 -0.57 0.00 -1.23 0.00 0.00 66.70 63.97 1c07 h VAL 11 Cb 0.58 1.59 -0.39 0.00 -2.13 0.00 0.00 31.29 30.95 1c07 h VAL 11 CO 0.01 0.05 -1.05 0.55 -1.23 0.00 0.00 177.57 175.91 1c07 n VAL 12 N -3.16 -0.72 -0.09 7.19 3.14 -1.26 -4.94 118.33 118.49 1c07 n VAL 12 Ca 0.01 -3.89 -0.10 0.00 -2.96 0.00 0.00 64.34 57.40 1c07 n VAL 12 Cb 0.35 -1.88 -0.13 0.00 -1.06 0.00 0.00 33.84 31.12 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 1.82 0.95 -3.18 6.55 2.88 -1.26 -3.60 113.62 117.78 1c07 n SER 13 Ca 0.24 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1c07 n SER 13 Cb 0.51 0.72 0.00 0.00 -0.75 0.00 0.00 64.21 64.69 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 -2.73 2.30 -0.16 -1.46 -0.04 -1.26 -4.35 135.00 127.29 1c07 n PRO 14 Ca -0.30 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.11 1c07 n PRO 14 Cb 1.05 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.47 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 -0.24 -0.38 0.55 0.00 -1.26 0.08 120.51 116.26 1c07 n ALA 15 Ca 0.00 0.32 -0.06 0.00 0.00 0.00 0.00 53.44 53.70 1c07 n ALA 15 Cb 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.39 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 -4.27 -0.32 -0.18 0.00 1.02 -1.26 0.20 120.64 115.82 1c07 n GLU 16 Ca 0.01 1.42 0.12 0.00 -0.02 0.00 0.00 57.16 58.69 1c07 n GLU 16 Cb 0.10 -2.10 0.45 0.00 -0.02 0.00 0.00 31.44 29.87 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 0.52 -0.08 3.49 3.11 -0.41 -1.53 116.57 121.66 1c07 h LYS 17 Ca 0.23 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 58.02 1c07 h LYS 17 Cb 0.46 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.57 1c07 h LYS 17 CO -0.90 0.35 -0.00 0.00 -2.81 0.00 0.00 179.45 176.08 1c07 h ALA 18 N 1.64 0.11 -0.21 5.00 0.00 0.25 0.92 119.26 126.97 1c07 h ALA 18 Ca 0.36 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1c07 h ALA 18 Cb 0.66 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1c07 h ALA 18 CO -0.13 -0.20 0.15 -0.22 0.00 0.00 0.00 179.25 178.85 1c07 h LYS 19 N -0.13 0.00 0.00 0.00 3.64 -0.07 -1.96 116.57 118.04 1c07 h LYS 19 Ca 0.02 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.25 1c07 h LYS 19 Cb 0.35 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1c07 h LYS 19 CO 0.00 0.00 -0.91 1.88 -2.27 0.00 0.00 179.45 178.15 1c07 h TYR 20 N 0.00 0.00 -1.02 1.91 0.05 -0.95 -3.15 116.97 113.81 1c07 h TYR 20 Ca 0.10 0.00 0.31 0.00 0.05 0.00 0.00 58.73 59.19 1c07 h TYR 20 Cb 0.40 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.00 1c07 h TYR 20 CO 0.00 1.16 0.60 0.22 -1.05 0.00 0.00 178.16 179.09 1c07 h ASP 21 N -1.00 0.53 -0.15 3.88 3.58 0.11 0.95 116.42 124.33 1c07 h ASP 21 Ca -0.23 0.17 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 1c07 h ASP 21 Cb 1.10 0.11 -0.00 0.00 1.72 0.00 0.00 39.33 42.26 1c07 h ASP 21 CO -0.14 -0.08 -0.04 -0.33 -2.88 0.00 0.00 179.24 175.77 1c07 h GLU 22 N 0.36 0.28 -0.82 0.28 4.39 -1.50 -2.99 114.58 114.59 1c07 h GLU 22 Ca 0.72 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 60.28 1c07 h GLU 22 Cb 1.63 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 30.23 1c07 h GLU 22 CO -0.55 0.57 0.40 0.82 -1.16 0.00 0.00 179.01 179.09 1c07 h ILE 23 N -0.02 1.25 -1.00 3.13 2.04 0.04 -0.64 117.51 122.31 1c07 h ILE 23 Ca 0.04 -0.70 0.29 0.00 1.00 0.00 0.00 64.86 65.49 1c07 h ILE 23 Cb 0.47 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1c07 h ILE 23 CO 0.02 0.30 0.87 0.15 0.00 0.00 0.00 178.15 179.49 1c07 h PHE 24 N 1.17 0.00 -0.06 1.37 3.04 0.79 2.77 116.94 126.01 1c07 h PHE 24 Ca 0.28 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 62.11 1c07 h PHE 24 Cb 0.11 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 1c07 h PHE 24 CO 0.01 0.00 -0.52 -0.07 -2.02 0.00 0.00 178.31 175.71 1c07 h LEU 25 N 0.00 0.17 0.00 0.59 3.38 -1.10 0.37 115.31 118.72 1c07 h LEU 25 Ca 0.47 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1c07 h LEU 25 Cb 2.21 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.92 1c07 h LEU 25 CO -0.00 0.67 -1.14 0.29 0.09 0.00 0.00 178.44 178.34 1c07 n LYS 26 N -3.93 0.18 -0.10 1.13 4.76 0.83 -4.37 118.16 116.66 1c07 n LYS 26 Ca -0.02 -0.04 -0.19 0.00 -2.87 0.00 0.00 58.31 55.20 1c07 n LYS 26 Cb 0.55 -1.52 -0.10 0.00 -1.84 0.00 0.00 35.03 32.12 1c07 n LYS 26 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1c07 h THR 27 N 0.00 0.84 -0.34 -0.18 2.02 0.17 -3.41 112.91 112.02 1c07 h THR 27 Ca 0.00 -2.02 -0.17 0.00 0.77 0.00 0.00 66.41 64.99 1c07 h THR 27 Cb 0.64 1.98 -0.02 0.00 -1.74 0.00 0.00 68.15 69.01 1c07 h THR 27 CO 0.00 0.29 0.51 -0.62 0.37 0.00 0.00 175.52 176.07 1c07 s ASP 28 N -6.65 4.27 0.00 4.18 2.15 0.13 -4.37 116.67 116.37 1c07 s ASP 28 Ca -0.26 -1.08 0.04 0.00 0.43 0.00 0.00 52.55 51.67 1c07 s ASP 28 Cb 0.05 -2.58 0.23 0.00 -0.30 0.00 0.00 42.92 40.31 1c07 s ASP 28 CO 0.54 -3.81 0.71 0.29 -0.17 0.00 0.00 175.17 172.72 1c07 n LYS 29 N 8.37 0.12 0.00 4.34 4.01 -1.26 -1.92 118.16 131.81 1c07 n LYS 29 Ca 0.43 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.23 1c07 n LYS 29 Cb 0.46 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.49 1c07 n LYS 29 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1c07 n ASP 30 N -1.00 1.16 -3.67 4.39 5.75 -1.26 -5.00 116.55 116.93 1c07 n ASP 30 Ca 0.03 -1.30 -0.27 0.00 -0.01 0.00 0.00 54.79 53.24 1c07 n ASP 30 Cb 0.01 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.15 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 -0.15 -6.10 -0.75 0.11 2.81 -0.81 -4.87 117.12 107.36 1c07 n MET 31 Ca 0.00 0.70 -0.02 0.00 -1.81 0.00 0.00 57.70 56.57 1c07 n MET 31 Cb 0.12 -5.63 0.22 0.00 -0.71 0.00 0.00 33.22 27.22 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 -2.81 3.16 -1.35 7.83 5.75 -1.26 -4.90 116.55 122.97 1c07 n ASP 32 Ca 0.01 -3.50 -0.14 0.00 -0.01 0.00 0.00 54.79 51.15 1c07 n ASP 32 Cb 0.55 -0.64 -0.06 0.00 -1.03 0.00 0.00 41.12 39.94 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 -0.89 1.33 2.87 6.12 0.00 -1.26 -4.86 105.19 108.50 1c07 n GLY 33 Ca 0.33 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.16 -0.86 -0.01 1.61 2.19 -1.26 -3.53 117.98 113.96 1c07 s PHE 34 Ca 0.00 0.15 -0.19 0.00 0.33 0.00 0.00 56.93 57.22 1c07 s PHE 34 Cb 0.00 -0.24 -0.05 0.00 -1.31 0.00 0.00 43.02 41.42 1c07 s PHE 34 CO 0.00 -0.97 0.56 0.54 1.83 0.00 0.00 175.22 177.17 1c07 s VAL 35 N 2.45 4.93 0.20 3.12 0.11 -0.79 -4.61 120.40 125.80 1c07 s VAL 35 Ca 0.10 1.17 -0.12 0.00 -2.93 0.00 0.00 61.98 60.19 1c07 s VAL 35 Cb -0.13 -3.89 -0.07 0.00 -1.53 0.00 0.00 36.38 30.76 1c07 s VAL 35 CO -0.30 0.44 0.57 -0.94 -3.33 0.00 0.00 175.10 171.55 1c07 s SER 36 N -0.33 6.73 0.58 3.54 1.04 -1.26 0.26 113.70 124.26 1c07 s SER 36 Ca 0.29 1.03 0.36 0.00 0.48 0.00 0.00 55.95 58.11 1c07 s SER 36 Cb -0.18 -2.27 1.36 0.00 0.10 0.00 0.00 66.02 65.03 1c07 s SER 36 CO 0.16 -0.01 1.55 1.23 0.98 0.00 0.00 173.24 177.15 1c07 h GLY 37 N 2.95 0.00 1.94 7.32 0.00 -1.89 1.61 103.07 115.00 1c07 h GLY 37 Ca -0.48 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 1c07 h GLY 37 CO 0.67 0.00 -0.23 1.41 0.00 0.00 0.00 176.54 178.39 1c07 h LEU 38 N 0.00 0.06 0.00 3.11 4.07 -1.91 0.75 115.31 121.39 1c07 h LEU 38 Ca 0.62 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.56 1c07 h LEU 38 Cb 2.88 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 44.61 1c07 h LEU 38 CO -0.01 0.30 -0.27 -0.33 -1.08 0.00 0.00 178.44 177.06 1c07 h GLU 39 N 0.06 0.00 0.00 1.13 5.08 0.21 -3.33 114.58 117.72 1c07 h GLU 39 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1c07 h GLU 39 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1c07 h GLU 39 CO 0.03 0.00 0.06 -0.24 -1.00 0.00 0.00 179.01 177.86 1c07 h VAL 40 N -0.78 0.00 0.00 3.13 3.04 -1.54 -3.30 116.25 116.79 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 0.27 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.01 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 -2.26 0.00 -0.32 4.17 0.63 0.26 0.11 116.66 119.26 1c07 n ARG 41 Ca -0.01 0.40 0.16 0.00 -0.92 0.00 0.00 57.85 57.48 1c07 n ARG 41 Cb 0.09 -0.98 0.33 0.00 0.45 0.00 0.00 32.46 32.36 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 0.09 -1.01 -0.14 4.57 -1.81 1.69 114.58 117.97 1c07 h GLU 42 Ca 0.00 -0.01 0.19 0.00 -1.18 0.00 0.00 59.36 58.36 1c07 h GLU 42 Cb 0.00 -0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 28.46 1c07 h GLU 42 CO 0.00 0.06 0.61 0.82 -1.18 0.00 0.00 179.01 179.32 1c07 h ILE 43 N 0.09 0.71 0.00 2.32 2.04 -1.31 0.20 117.51 121.57 1c07 h ILE 43 Ca 0.62 -0.26 -0.23 0.00 1.00 0.00 0.00 64.86 65.98 1c07 h ILE 43 Cb 1.33 -0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1c07 h ILE 43 CO -0.78 0.14 -1.39 -0.26 0.00 0.00 0.00 178.15 175.86 1c07 h PHE 44 N 0.77 0.00 0.00 1.37 0.04 0.63 -3.25 116.94 116.50 1c07 h PHE 44 Ca 0.58 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.35 1c07 h PHE 44 Cb 0.89 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.04 1c07 h PHE 44 CO -0.00 0.84 0.00 -0.07 -0.60 0.00 0.00 178.31 178.48 1c07 h LEU 45 N 0.00 0.00 -0.61 1.54 3.38 0.24 -1.55 115.31 118.31 1c07 h LEU 45 Ca -0.17 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1c07 h LEU 45 Cb 1.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.55 1c07 h LEU 45 CO 0.08 0.00 -0.10 0.11 0.09 0.00 0.00 178.44 178.61 1c07 h LYS 46 N 0.00 0.00 -0.07 1.13 1.57 -0.74 -3.31 116.57 115.15 1c07 h LYS 46 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1c07 h LYS 46 Cb 0.35 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.60 1c07 h LYS 46 CO 0.00 0.10 -0.46 1.79 -0.57 0.00 0.00 179.45 180.31 1c07 h THR 47 N 0.00 0.10 0.00 -0.16 1.35 -1.43 -3.46 112.91 109.30 1c07 h THR 47 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1c07 h THR 47 Cb 0.87 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 1c07 h THR 47 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1c07 n GLY 48 N -1.45 1.93 0.94 5.82 0.00 -1.25 -5.05 105.19 106.14 1c07 n GLY 48 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 1c07 n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1c07 n LEU 49 N 0.00 0.00 0.00 0.99 4.77 -1.26 -5.12 117.00 116.38 1c07 n LEU 49 Ca 0.00 -0.61 -0.05 0.00 -0.03 0.00 0.00 56.01 55.32 1c07 n LEU 49 Cb 0.00 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1c07 n LEU 49 CO 0.00 -0.53 0.12 -0.81 -1.33 0.00 0.00 177.39 174.84 1c07 n PRO 50 N -1.25 -0.87 -0.08 3.23 -0.04 -1.26 -4.99 135.00 129.74 1c07 n PRO 50 Ca 0.03 -0.32 -0.22 0.00 -0.04 0.00 0.00 63.50 62.96 1c07 n PRO 50 Cb 0.15 -0.25 -0.12 0.00 -0.04 0.00 0.00 33.50 33.23 1c07 n PRO 50 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1c07 n SER 51 N -3.24 1.92 0.12 3.54 7.64 -1.26 -4.07 113.62 118.27 1c07 n SER 51 Ca 0.03 0.37 0.03 0.00 1.01 0.00 0.00 58.87 60.31 1c07 n SER 51 Cb 0.10 -0.94 0.43 0.00 -1.01 0.00 0.00 64.21 62.78 1c07 n SER 51 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1c07 h THR 52 N -0.76 1.14 0.74 0.44 2.02 -1.98 -3.03 112.91 111.48 1c07 h THR 52 Ca -0.37 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 66.17 1c07 h THR 52 Cb 1.47 1.08 0.01 0.00 -1.74 0.00 0.00 68.15 68.97 1c07 h THR 52 CO -0.15 0.19 -0.36 0.25 0.37 0.00 0.00 175.52 175.82 1c07 h LEU 53 N 0.25 -0.85 -1.99 2.58 5.85 -1.97 1.80 115.31 120.98 1c07 h LEU 53 Ca 0.06 0.03 0.28 0.00 0.84 0.00 0.00 57.88 59.09 1c07 h LEU 53 Cb 0.26 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1c07 h LEU 53 CO 0.01 -0.60 0.71 -0.07 -0.34 0.00 0.00 178.44 178.14 1c07 h LEU 54 N -1.00 0.00 0.22 2.25 -0.00 -1.70 1.07 115.31 116.15 1c07 h LEU 54 Ca -0.10 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.45 1c07 h LEU 54 Cb 0.77 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.46 1c07 h LEU 54 CO 0.16 0.00 -1.42 0.00 -0.00 0.00 0.00 178.44 177.18 1c07 h ALA 55 N 1.49 -0.11 0.00 1.53 0.00 -1.24 -2.62 119.26 118.31 1c07 h ALA 55 Ca 0.46 -0.85 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1c07 h ALA 55 Cb 1.87 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 1c07 h ALA 55 CO -0.00 0.72 -0.17 1.25 0.00 0.00 0.00 179.25 181.05 1c07 h HIS 56 N 0.16 0.00 0.00 0.00 -0.00 0.92 -0.55 115.15 115.69 1c07 h HIS 56 Ca -0.23 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.08 1c07 h HIS 56 Cb 2.11 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 29.52 1c07 h HIS 56 CO 0.12 0.17 -0.28 0.82 -0.00 0.00 0.00 177.93 178.76 1c07 h ILE 57 N 0.00 0.50 -0.12 6.26 2.04 0.84 -2.77 117.51 124.27 1c07 h ILE 57 Ca -0.00 -1.59 -0.08 0.00 1.00 0.00 0.00 64.86 64.18 1c07 h ILE 57 Cb 0.51 2.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1c07 h ILE 57 CO 0.02 0.27 -0.25 -0.25 0.00 0.00 0.00 178.15 177.95 1c07 h TRP 58 N 0.00 0.49 0.00 1.37 2.91 -0.71 -2.64 115.95 117.36 1c07 h TRP 58 Ca -0.00 -0.18 -0.08 0.00 1.13 0.00 0.00 58.89 59.76 1c07 h TRP 58 Cb 1.13 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 29.68 1c07 h TRP 58 CO 0.00 0.87 -0.36 0.66 -1.03 0.00 0.00 178.44 178.58 1c07 h SER 59 N -0.03 0.00 0.34 2.65 4.64 -1.53 2.37 113.55 121.98 1c07 h SER 59 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1c07 h SER 59 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1c07 h SER 59 CO 0.06 0.36 0.00 0.18 -0.87 0.00 0.00 176.83 176.55 1c07 n LEU 60 N -3.77 0.00 0.00 5.97 4.77 -1.05 -3.70 117.00 119.23 1c07 n LEU 60 Ca -0.01 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1c07 n LEU 60 Cb 0.44 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1c07 n LEU 60 CO 0.37 -0.06 -0.29 0.00 -1.33 0.00 0.00 177.39 176.08 1c07 n ASP 62 N -1.75 2.49 -0.24 0.00 2.03 0.78 -4.53 116.55 115.33 1c07 n ASP 62 Ca 0.00 -2.14 0.10 0.00 0.52 0.00 0.00 54.79 53.27 1c07 n ASP 62 Cb 0.29 -0.78 0.36 0.00 -0.72 0.00 0.00 41.12 40.27 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 3.64 0.92 0.00 5.18 1.35 -1.83 0.25 112.91 122.42 1c07 h THR 63 Ca 0.24 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1c07 h THR 63 Cb 0.10 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 66.65 1c07 h THR 63 CO 1.18 0.13 0.16 0.11 -0.25 0.00 0.00 175.52 176.85 1c07 h LYS 64 N 0.73 0.00 -7.03 4.72 6.56 -1.91 -3.45 116.57 116.18 1c07 h LYS 64 Ca 0.39 0.00 -0.61 0.00 -1.06 0.00 0.00 60.65 59.37 1c07 h LYS 64 Cb 0.53 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 32.07 1c07 h LYS 64 CO -0.16 0.00 -0.99 -0.25 -2.06 0.00 0.00 179.45 175.99 1c07 n ASP 65 N -2.50 -1.46 0.00 0.86 8.00 0.89 -4.81 116.55 117.54 1c07 n ASP 65 Ca -0.02 -1.30 0.00 0.00 0.71 0.00 0.00 54.79 54.19 1c07 n ASP 65 Cb 0.20 -1.60 0.00 0.00 -0.02 0.00 0.00 41.12 39.70 1c07 n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c07 n GLY 67 N 1.34 0.83 2.22 0.00 0.00 -1.26 -5.10 105.19 103.23 1c07 n GLY 67 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.68 0.74 -3.92 1.61 5.02 -1.26 -4.35 118.16 115.33 1c07 n LYS 68 Ca 0.00 -2.28 -0.30 0.00 -2.02 0.00 0.00 58.31 53.71 1c07 n LYS 68 Cb 0.00 1.19 -0.15 0.00 -0.02 0.00 0.00 35.03 36.05 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 3.93 1.19 -0.35 0.20 0.73 -4.80 118.68 119.58 1c07 s LEU 69 Ca 0.13 -2.18 -0.17 0.00 0.69 0.00 0.00 54.13 52.60 1c07 s LEU 69 Cb 0.01 -1.40 0.22 0.00 -0.43 0.00 0.00 46.19 44.59 1c07 s LEU 69 CO 0.09 -0.36 0.50 -1.20 -0.29 0.00 0.00 176.35 175.09 1c07 n SER 70 N 4.20 -2.58 0.00 3.68 7.64 -1.26 -1.89 113.62 123.41 1c07 n SER 70 Ca 0.03 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.60 1c07 n SER 70 Cb 0.40 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 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 -3.59 0.00 -0.32 1.43 5.02 -1.23 -0.75 118.16 118.72 1c07 n LYS 71 Ca 0.04 0.26 0.24 0.00 -2.02 0.00 0.00 58.31 56.82 1c07 n LYS 71 Cb 0.56 -1.17 0.46 0.00 -0.02 0.00 0.00 35.03 34.86 1c07 n LYS 71 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1c07 n ASP 72 N -1.12 0.16 0.01 4.39 8.00 -1.26 0.64 116.55 127.37 1c07 n ASP 72 Ca 0.00 1.62 -0.12 0.00 0.71 0.00 0.00 54.79 57.01 1c07 n ASP 72 Cb 0.00 -0.71 -0.06 0.00 -0.02 0.00 0.00 41.12 40.33 1c07 n ASP 72 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1c07 h GLN 73 N 0.00 0.07 -0.88 -1.24 4.20 -1.76 -1.98 115.11 113.51 1c07 h GLN 73 Ca 0.73 -0.01 0.13 0.00 0.06 0.00 0.00 58.65 59.56 1c07 h GLN 73 Cb 1.79 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 29.49 1c07 h GLN 73 CO -0.81 0.10 0.57 0.35 -0.67 0.00 0.00 178.83 178.36 1c07 h PHE 74 N 0.02 0.86 0.00 2.96 3.57 0.24 0.87 116.94 125.45 1c07 h PHE 74 Ca 0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1c07 h PHE 74 Cb 0.05 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.51 1c07 h PHE 74 CO -0.06 0.35 0.00 0.00 -2.23 0.00 0.00 178.31 176.37 1c07 n ALA 75 N -2.42 2.02 -0.00 2.41 0.00 -0.77 -3.05 120.51 118.71 1c07 n ALA 75 Ca 0.16 -0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.30 1c07 n ALA 75 Cb 0.41 -1.33 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 1c07 n ALA 75 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1c07 n LEU 76 N -1.34 2.61 0.36 0.00 0.00 0.30 -3.64 117.00 115.28 1c07 n LEU 76 Ca 0.08 0.22 -0.16 0.00 0.00 0.00 0.00 56.01 56.16 1c07 n LEU 76 Cb 0.18 -1.11 -0.08 0.00 0.00 0.00 0.00 43.42 42.41 1c07 n LEU 76 CO 0.16 0.83 0.45 0.00 0.00 0.00 0.00 177.39 178.84 1c07 h ALA 77 N 0.04 -0.93 -1.34 1.96 0.00 -1.37 -2.42 119.26 115.21 1c07 h ALA 77 Ca -0.42 -0.22 0.39 0.00 0.00 0.00 0.00 54.91 54.66 1c07 h ALA 77 Cb 2.00 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 20.07 1c07 h ALA 77 CO 0.07 -0.91 0.93 0.74 0.00 0.00 0.00 179.25 180.09 1c07 h PHE 78 N -1.16 0.21 -0.03 0.00 -1.00 -1.75 1.33 116.94 114.54 1c07 h PHE 78 Ca -0.10 0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.63 1c07 h PHE 78 Cb 0.74 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 40.23 1c07 h PHE 78 CO 0.00 -0.03 -0.30 1.25 -1.61 0.00 0.00 178.31 177.63 1c07 h HIS 79 N 0.08 0.05 0.00 -0.55 -0.00 -1.50 -1.82 115.15 111.41 1c07 h HIS 79 Ca 0.69 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 61.05 1c07 h HIS 79 Cb 2.48 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 29.88 1c07 h HIS 79 CO -0.00 0.34 -0.40 -0.07 -0.00 0.00 0.00 177.93 177.80 1c07 h LEU 80 N 0.04 0.00 0.23 0.26 3.38 0.19 -3.33 115.31 116.08 1c07 h LEU 80 Ca 0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1c07 h LEU 80 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1c07 h LEU 80 CO 0.04 0.04 -0.11 0.40 0.09 0.00 0.00 178.44 178.90 1c07 h ILE 81 N 0.00 0.46 -1.15 1.22 1.08 -0.50 -3.17 117.51 115.45 1c07 h ILE 81 Ca 0.00 -0.95 0.33 0.00 -0.39 0.00 0.00 64.86 63.85 1c07 h ILE 81 Cb 0.84 0.78 -0.07 0.00 -3.07 0.00 0.00 36.82 35.30 1c07 h ILE 81 CO 0.00 0.12 0.80 0.77 -0.69 0.00 0.00 178.15 179.15 1c07 h SER 82 N -0.99 0.16 0.37 1.72 4.64 -1.61 1.16 113.55 118.99 1c07 h SER 82 Ca -0.03 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1c07 h SER 82 Cb 0.44 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1c07 h SER 82 CO 0.05 0.02 -0.10 -0.61 -0.87 0.00 0.00 176.83 175.32 1c07 h GLN 83 N 0.13 0.00 0.00 4.77 4.15 -1.66 -1.56 115.11 120.94 1c07 h GLN 83 Ca 0.59 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.97 1c07 h GLN 83 Cb 2.06 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.74 1c07 h GLN 83 CO -0.12 0.10 -1.21 1.17 -1.93 0.00 0.00 178.83 176.83 1c07 n LYS 84 N -3.58 0.61 -0.02 1.69 3.00 0.40 0.17 118.16 120.44 1c07 n LYS 84 Ca -0.02 0.12 -0.01 0.00 -0.00 0.00 0.00 58.31 58.40 1c07 n LYS 84 Cb 0.22 -1.79 -0.00 0.00 0.00 0.00 0.00 35.03 33.46 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 0.00 0.00 3.14 3.38 -0.92 -2.94 115.31 117.98 1c07 h LEU 85 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1c07 h LEU 85 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1c07 h LEU 85 CO 0.01 0.17 -0.11 -0.38 0.09 0.00 0.00 178.44 178.22 1c07 n ILE 86 N -2.78 0.00 0.03 1.22 2.08 -0.65 -3.74 119.36 115.52 1c07 n ILE 86 Ca -0.02 -0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.30 1c07 n ILE 86 Cb 0.06 -0.34 -0.00 0.00 -0.75 0.00 0.00 39.64 38.61 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 -1.51 4.75 -1.78 0.38 4.01 -1.14 -4.96 118.16 117.91 1c07 n LYS 87 Ca 0.07 -0.14 -0.08 0.00 -0.51 0.00 0.00 58.31 57.65 1c07 n LYS 87 Cb 0.34 -0.66 -0.02 0.00 -0.51 0.00 0.00 35.03 34.18 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 0.75 0.17 4.00 0.72 0.00 -0.31 -4.82 105.19 105.71 1c07 n GLY 88 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.97 2.58 0.34 -0.61 1.01 0.45 -4.88 121.20 118.11 1c07 s ILE 89 Ca 0.00 -0.86 0.09 0.00 0.00 0.00 0.00 60.65 59.88 1c07 s ILE 89 Cb 0.00 -2.72 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 1c07 s ILE 89 CO 0.00 0.00 0.03 -1.81 0.00 0.00 0.00 174.94 173.16 1c07 s ASP 90 N -4.51 4.26 0.62 3.58 1.01 -1.26 -3.39 116.67 116.98 1c07 s ASP 90 Ca 0.59 -0.95 -0.16 0.00 0.71 0.00 0.00 52.55 52.73 1c07 s ASP 90 Cb -0.08 -0.56 -0.02 0.00 1.01 0.00 0.00 42.92 43.26 1c07 s ASP 90 CO 0.37 -0.24 1.11 -2.16 0.21 0.00 0.00 175.17 174.46 1c07 s PRO 91 N -3.73 3.00 0.56 8.23 0.04 -1.26 -4.98 135.00 136.85 1c07 s PRO 91 Ca 0.35 1.41 -0.18 0.00 0.04 0.00 0.00 61.00 62.62 1c07 s PRO 91 Cb -0.01 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 1c07 s PRO 91 CO 0.20 -1.10 1.09 -1.25 0.04 0.00 0.00 177.00 175.98 1c07 s PRO 92 N -3.92 3.35 0.13 0.56 0.04 -1.26 -4.95 135.00 128.94 1c07 s PRO 92 Ca 0.68 1.43 -0.33 0.00 0.04 0.00 0.00 61.00 62.81 1c07 s PRO 92 Cb -0.20 -2.02 -0.11 0.00 0.04 0.00 0.00 34.50 32.20 1c07 s PRO 92 CO 0.38 -0.82 1.55 1.25 0.04 0.00 0.00 177.00 179.40 1c07 h HIS 93 N 0.91 -1.64 -3.02 0.56 2.76 -2.00 -3.45 115.15 109.27 1c07 h HIS 93 Ca -0.49 0.07 0.00 0.00 -2.20 0.00 0.00 60.37 57.75 1c07 h HIS 93 Cb 1.24 0.75 0.00 0.00 1.55 0.00 0.00 27.41 30.95 1c07 h HIS 93 CO 0.55 -0.52 0.00 1.33 -1.30 0.00 0.00 177.93 177.99 1c07 n VAL 94 N -5.41 0.00 -2.28 5.26 0.24 -1.26 -4.93 118.33 109.96 1c07 n VAL 94 Ca -0.05 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.11 1c07 n VAL 94 Cb 0.36 0.00 0.08 0.00 -1.47 0.00 0.00 33.84 32.81 1c07 n VAL 94 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1c07 n LEU 95 N 0.00 0.00 0.00 1.34 4.77 -1.26 -4.99 117.00 116.86 1c07 n LEU 95 Ca 0.00 -1.18 -0.17 0.00 -0.03 0.00 0.00 56.01 54.63 1c07 n LEU 95 Cb 0.00 -0.43 -0.06 0.00 -2.33 0.00 0.00 43.42 40.60 1c07 n LEU 95 CO 0.00 -0.85 -0.00 0.35 -1.33 0.00 0.00 177.39 175.56 1c07 n THR 96 N -2.43 0.00 1.15 -5.08 -2.24 -1.26 -5.01 114.28 99.40 1c07 n THR 96 Ca 0.10 -2.09 0.12 0.00 -2.27 0.00 0.00 64.05 59.90 1c07 n THR 96 Cb 0.35 1.12 0.61 0.00 -2.10 0.00 0.00 70.33 70.31 1c07 n THR 96 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1c07 n PRO 97 N -0.58 0.34 0.03 -0.78 -0.04 -1.26 -2.40 135.00 130.30 1c07 n PRO 97 Ca 0.05 0.06 0.05 0.00 -0.04 0.00 0.00 63.50 63.61 1c07 n PRO 97 Cb 0.57 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.29 0.63 0.04 0.54 1.02 -1.26 -4.14 120.64 116.19 1c07 n GLU 98 Ca 0.11 0.06 -0.17 0.00 -0.02 0.00 0.00 57.16 57.15 1c07 n GLU 98 Cb 0.20 -1.71 -0.14 0.00 -0.02 0.00 0.00 31.44 29.76 1c07 n GLU 98 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1c07 h MET 99 N 0.00 0.23 -6.43 3.49 2.86 -1.88 0.91 114.93 114.11 1c07 h MET 99 Ca -0.12 -0.40 -0.53 0.00 -2.06 0.00 0.00 59.70 56.59 1c07 h MET 99 Cb 1.34 0.15 0.02 0.00 0.06 0.00 0.00 31.60 33.17 1c07 h MET 99 CO 0.02 1.07 0.99 0.42 1.06 0.00 0.00 176.91 180.47 1c07 s ILE 100 N -2.60 3.11 1.04 -1.22 1.01 -1.01 -4.87 121.20 116.66 1c07 s ILE 100 Ca -0.12 0.53 -0.16 0.00 0.00 0.00 0.00 60.65 60.91 1c07 s ILE 100 Cb 0.07 -3.34 0.21 0.00 0.01 0.00 0.00 42.46 39.41 1c07 s ILE 100 CO 0.83 -0.00 1.17 -2.16 0.00 0.00 0.00 174.94 174.78 1c07 s PRO 101 N 2.71 0.05 1.27 2.79 0.04 -1.26 -4.76 135.00 135.84 1c07 s PRO 101 Ca 0.73 0.00 -0.21 0.00 0.04 0.00 0.00 61.00 61.56 1c07 s PRO 101 Cb -0.39 -1.74 0.32 0.00 0.04 0.00 0.00 34.50 32.73 1c07 s PRO 101 CO 0.32 -2.88 1.09 -1.25 0.04 0.00 0.00 177.00 174.32 1c07 s PRO 102 N -5.45 -1.78 0.00 0.56 0.04 -1.26 -5.14 135.00 121.98 1c07 s PRO 102 Ca 0.69 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1c07 s PRO 102 Cb -0.11 -1.54 0.00 0.00 0.04 0.00 0.00 34.50 32.90 1c07 s PRO 102 CO 0.55 -4.06 0.00 0.45 0.04 0.00 0.00 177.00 173.98