#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1okd n GLY 3 N 0.00 -1.54 0.20 0.23 0.00 -1.26 -3.38 105.19 99.44 1okd n GLY 3 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.00 1okd n GLY 3 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1okd h LEU 4 N 0.00 0.02 -0.75 0.99 3.38 -1.85 -2.81 115.31 114.30 1okd h LEU 4 Ca 0.00 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1okd h LEU 4 Cb 0.57 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1okd h LEU 4 CO 0.00 0.30 0.48 0.44 0.09 0.00 0.00 178.44 179.76 1okd h ASP 5 N 0.02 0.81 -0.55 -0.43 5.19 -1.80 -1.41 116.42 118.24 1okd h ASP 5 Ca 0.00 -0.01 0.10 0.00 -0.62 0.00 0.00 57.03 56.51 1okd h ASP 5 Cb 0.51 -0.19 -0.08 0.00 0.18 0.00 0.00 39.33 39.75 1okd h ASP 5 CO 0.04 0.57 0.07 0.50 -3.12 0.00 0.00 179.24 177.30 1okd h LYS 6 N 0.96 0.19 -0.09 3.56 3.64 -1.71 0.56 116.57 123.68 1okd h LYS 6 Ca 0.29 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.54 1okd h LYS 6 Cb -0.03 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1okd h LYS 6 CO -0.09 0.13 -0.47 1.88 -2.27 0.00 0.00 179.45 178.63 1okd h TYR 7 N 0.20 0.25 -2.58 1.91 -1.99 -1.56 -3.35 116.97 109.84 1okd h TYR 7 Ca 0.28 -0.08 -0.60 0.00 2.00 0.00 0.00 58.73 60.34 1okd h TYR 7 Cb 0.42 -0.05 -0.41 0.00 2.00 0.00 0.00 36.73 38.69 1okd h TYR 7 CO -0.27 0.64 -0.72 1.28 -0.00 0.00 0.00 178.16 179.09 1okd n LEU 8 N -3.98 2.22 -4.62 3.88 4.77 -0.11 -2.20 117.00 116.96 1okd n LEU 8 Ca -0.02 -5.05 -0.43 0.00 -0.03 0.00 0.00 56.01 50.48 1okd n LEU 8 Cb 0.52 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1okd n LEU 8 CO 0.42 1.89 1.64 -2.84 -1.33 0.00 0.00 177.39 177.17 1okd s PRO 9 N -1.42 3.50 0.00 3.23 0.02 0.00 -4.13 135.00 136.20 1okd s PRO 9 Ca 0.32 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.27 1okd s PRO 9 Cb 0.05 -4.23 0.00 0.00 0.02 0.00 0.00 34.50 30.34 1okd s PRO 9 CO -0.13 -1.67 0.00 0.41 -0.33 0.00 0.00 177.00 175.28 1okd n GLY 10 N 5.24 0.76 3.15 0.52 0.00 -1.26 -4.70 105.19 108.89 1okd n GLY 10 Ca 0.24 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 1okd n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1okd s ILE 11 N -0.89 0.86 0.22 -0.61 -1.09 -1.26 -4.65 121.20 113.78 1okd s ILE 11 Ca 0.00 -1.48 0.00 0.00 -2.23 0.00 0.00 60.65 56.94 1okd s ILE 11 Cb 0.00 -1.17 0.00 0.00 -1.58 0.00 0.00 42.46 39.71 1okd s ILE 11 CO 0.00 -0.49 0.00 1.21 -1.23 0.00 0.00 174.94 174.43 1okd n GLU 12 N 0.83 0.00 -3.94 2.79 4.07 -1.26 -5.15 120.64 117.99 1okd n GLU 12 Ca -0.18 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 56.82 1okd n GLU 12 Cb 0.57 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.85 1okd n GLU 12 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1okd s LYS 13 N -2.00 0.53 0.34 5.31 1.02 -1.26 -4.12 119.74 119.55 1okd s LYS 13 Ca 0.00 -0.70 0.07 0.00 0.02 0.00 0.00 55.97 55.36 1okd s LYS 13 Cb 0.00 0.20 -0.01 0.00 -0.52 0.00 0.00 37.83 37.50 1okd s LYS 13 CO 0.00 -0.12 0.41 -0.51 -0.92 0.00 0.00 175.35 174.21 1okd s LEU 14 N -1.94 3.82 -0.49 3.17 1.43 -1.21 -4.35 118.68 119.10 1okd s LEU 14 Ca -0.08 -0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 52.57 1okd s LEU 14 Cb -0.03 -2.55 0.10 0.00 0.03 0.00 0.00 46.19 43.74 1okd s LEU 14 CO -0.03 -0.43 0.42 -0.13 0.23 0.00 0.00 176.35 176.41 1okd s ARG 15 N -4.12 2.86 0.43 1.70 0.52 0.38 -3.07 118.95 117.65 1okd s ARG 15 Ca 0.44 -1.58 0.07 0.00 -0.52 0.00 0.00 55.73 54.14 1okd s ARG 15 Cb -0.08 -4.13 0.01 0.00 0.52 0.00 0.00 34.95 31.27 1okd s ARG 15 CO 0.30 -1.17 0.59 0.50 0.02 0.00 0.00 175.30 175.53 1okd s ARG 16 N 1.56 2.80 0.00 3.54 3.52 0.32 -1.80 118.95 128.89 1okd s ARG 16 Ca 0.04 -1.18 0.00 0.00 -0.13 0.00 0.00 55.73 54.45 1okd s ARG 16 Cb -0.27 -2.73 0.00 0.00 -1.56 0.00 0.00 34.95 30.39 1okd s ARG 16 CO 0.03 -0.32 0.00 0.41 -0.81 0.00 0.00 175.30 174.62 1okd n GLY 17 N -1.90 -1.00 0.44 8.12 0.00 -1.19 -2.76 105.19 106.90 1okd n GLY 17 Ca 0.08 0.00 0.34 0.00 0.00 0.00 0.00 46.02 46.44 1okd n GLY 17 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1okd h ASP 18 N 0.00 0.29 0.00 1.61 3.58 -1.97 -3.45 116.42 116.48 1okd h ASP 18 Ca 0.00 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1okd h ASP 18 Cb 0.00 0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1okd h ASP 18 CO 0.00 -0.17 0.00 0.61 -2.88 0.00 0.00 179.24 176.80 1okd n GLY 19 N -1.48 1.28 3.83 -0.78 0.00 -1.11 -5.16 105.19 101.76 1okd n GLY 19 Ca 0.36 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 1okd n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1okd s GLU 20 N 4.94 3.06 -0.05 1.61 1.03 -1.26 0.12 118.70 128.15 1okd s GLU 20 Ca 0.00 -0.65 0.05 0.00 0.03 0.00 0.00 54.97 54.40 1okd s GLU 20 Cb 0.00 -2.81 -0.00 0.00 -0.80 0.00 0.00 34.13 30.52 1okd s GLU 20 CO 0.00 0.56 -0.20 0.14 -1.33 0.00 0.00 175.26 174.43 1okd s VAL 21 N -1.50 1.64 0.44 1.83 -7.23 -1.18 -4.87 120.40 109.53 1okd s VAL 21 Ca 0.31 -0.83 -0.25 0.00 -1.81 0.00 0.00 61.98 59.40 1okd s VAL 21 Cb -0.12 -1.40 -0.09 0.00 0.56 0.00 0.00 36.38 35.32 1okd s VAL 21 CO 0.24 0.47 1.27 -0.62 -0.31 0.00 0.00 175.10 176.15 1okd n GLU 22 N 3.13 1.90 0.13 4.82 -0.58 -1.26 -3.34 120.64 125.43 1okd n GLU 22 Ca -0.18 0.68 0.18 0.00 -0.42 0.00 0.00 57.16 57.41 1okd n GLU 22 Cb 0.53 -2.40 0.75 0.00 -0.57 0.00 0.00 31.44 29.75 1okd n GLU 22 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1okd h VAL 23 N 2.00 0.60 -0.60 2.62 2.07 -1.97 -1.14 116.25 119.83 1okd h VAL 23 Ca -0.48 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.21 1okd h VAL 23 Cb 1.30 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1okd h VAL 23 CO 0.59 0.00 0.56 0.50 0.02 0.00 0.00 177.57 179.24 1okd h LYS 24 N 0.00 0.00 0.00 1.57 1.63 -1.93 0.22 116.57 118.06 1okd h LYS 24 Ca 0.15 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1okd h LYS 24 Cb 0.68 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 1okd h LYS 24 CO -0.00 0.00 0.00 1.03 -3.45 0.00 0.00 179.45 177.03 1okd h SER 25 N 0.00 0.00 -1.33 4.20 0.87 -1.56 -2.05 113.55 113.68 1okd h SER 25 Ca 0.29 0.00 -0.70 0.00 -1.23 0.00 0.00 61.79 60.15 1okd h SER 25 Cb 1.40 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 63.06 1okd h SER 25 CO -0.00 0.00 0.75 0.18 -0.53 0.00 0.00 176.83 177.23 1okd n LEU 26 N -2.59 7.34 -4.11 2.23 4.77 0.76 -4.85 117.00 120.54 1okd n LEU 26 Ca -0.02 -4.54 -0.37 0.00 -0.03 0.00 0.00 56.01 51.05 1okd n LEU 26 Cb 0.06 -0.94 -0.10 0.00 -2.33 0.00 0.00 43.42 40.11 1okd n LEU 26 CO 0.14 1.64 -0.01 0.00 -1.33 0.00 0.00 177.39 177.84 1okd s ALA 27 N -3.88 3.47 0.00 -1.18 0.00 -0.77 -4.47 121.76 114.93 1okd s ALA 27 Ca 0.59 -3.04 0.00 0.00 0.00 0.00 0.00 51.96 49.51 1okd s ALA 27 Cb 0.48 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.97 1okd s ALA 27 CO -0.15 -2.02 0.00 0.41 0.00 0.00 0.00 175.76 174.00 1okd n GLY 28 N 3.85 0.51 3.56 0.00 0.00 -1.26 -5.03 105.19 106.82 1okd n GLY 28 Ca 0.05 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1okd n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1okd s LYS 29 N 0.50 0.67 0.66 1.61 -2.85 -1.26 -4.99 119.74 114.08 1okd s LYS 29 Ca 0.00 0.12 -0.13 0.00 -1.00 0.00 0.00 55.97 54.96 1okd s LYS 29 Cb 0.00 0.31 -0.01 0.00 -2.06 0.00 0.00 37.83 36.08 1okd s LYS 29 CO 0.00 -0.22 1.06 -1.17 0.10 0.00 0.00 175.35 175.13 1okd s LEU 30 N -1.25 3.29 -0.08 2.77 0.20 -1.26 -2.98 118.68 119.37 1okd s LEU 30 Ca -0.02 1.73 -0.02 0.00 0.69 0.00 0.00 54.13 56.51 1okd s LEU 30 Cb -0.00 -4.52 0.04 0.00 -0.43 0.00 0.00 46.19 41.28 1okd s LEU 30 CO 0.02 -1.39 0.04 -0.69 -0.29 0.00 0.00 176.35 174.04 1okd s VAL 31 N -2.76 0.10 0.34 1.68 1.01 0.29 -1.63 120.40 119.43 1okd s VAL 31 Ca 0.61 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.78 1okd s VAL 31 Cb -0.15 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 1okd s VAL 31 CO 0.47 0.12 0.54 -0.36 0.00 0.00 0.00 175.10 175.87 1okd s PHE 32 N 2.08 3.49 -0.22 5.22 0.40 -0.88 0.39 117.98 128.45 1okd s PHE 32 Ca 0.04 0.32 -0.03 0.00 -0.60 0.00 0.00 56.93 56.66 1okd s PHE 32 Cb -0.13 -1.87 0.07 0.00 0.51 0.00 0.00 43.02 41.60 1okd s PHE 32 CO -0.05 0.14 0.07 -0.06 0.70 0.00 0.00 175.22 176.02 1okd s PHE 33 N -2.30 0.86 -0.38 0.36 0.08 8.67 -1.69 117.98 123.58 1okd s PHE 33 Ca 0.40 -0.90 -0.19 0.00 0.12 0.00 0.00 56.93 56.36 1okd s PHE 33 Cb -0.10 -1.05 0.01 0.00 -0.57 0.00 0.00 43.02 41.31 1okd s PHE 33 CO 0.36 -0.67 0.56 -0.47 -0.10 0.00 0.00 175.22 174.90 1okd s TYR 34 N 1.91 3.15 -0.20 0.36 5.04 4.82 -2.46 117.35 129.97 1okd s TYR 34 Ca 0.03 0.12 -0.11 0.00 -2.44 0.00 0.00 57.07 54.67 1okd s TYR 34 Cb -0.17 -3.06 -0.05 0.00 0.35 0.00 0.00 41.96 39.03 1okd s TYR 34 CO -0.16 -0.64 0.19 -0.06 -1.34 0.00 0.00 175.55 173.54 1okd s PHE 35 N 2.54 3.40 0.02 4.97 0.40 0.13 -2.54 117.98 126.90 1okd s PHE 35 Ca 0.20 0.39 -0.29 0.00 -0.60 0.00 0.00 56.93 56.64 1okd s PHE 35 Cb -0.15 -2.25 0.11 0.00 0.51 0.00 0.00 43.02 41.24 1okd s PHE 35 CO 0.15 0.22 1.23 0.45 0.70 0.00 0.00 175.22 177.97 1okd s SER 36 N 0.55 -0.05 0.18 1.36 0.15 -1.24 -0.54 113.70 114.11 1okd s SER 36 Ca 0.11 -0.23 -0.02 0.00 0.70 0.00 0.00 55.95 56.50 1okd s SER 36 Cb -0.12 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.37 1okd s SER 36 CO 0.01 -0.42 0.13 0.00 1.20 0.00 0.00 173.24 174.17 1okd s ALA 37 N -2.37 0.91 -1.55 5.45 0.00 -1.26 0.11 121.76 123.04 1okd s ALA 37 Ca 0.19 -1.53 0.13 0.00 0.00 0.00 0.00 51.96 50.75 1okd s ALA 37 Cb 0.02 1.16 0.44 0.00 0.00 0.00 0.00 23.12 24.75 1okd s ALA 37 CO -0.02 -0.57 1.32 0.43 0.00 0.00 0.00 175.76 176.92 1okd n SER 38 N -0.21 2.94 0.00 0.00 7.64 -1.26 -3.84 113.62 118.89 1okd n SER 38 Ca -0.01 -2.18 0.00 0.00 1.01 0.00 0.00 58.87 57.69 1okd n SER 38 Cb 0.65 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1okd n SER 38 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1okd n TRP 39 N 0.72 0.00 -1.34 1.43 4.27 -1.26 -5.06 117.44 116.19 1okd n TRP 39 Ca 0.16 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.41 1okd n TRP 39 Cb 0.53 0.00 0.06 0.00 -1.36 0.00 0.00 31.31 30.54 1okd n TRP 39 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1okd h PRO 41 N -0.16 -0.03 0.00 0.00 0.11 -1.95 -3.33 132.00 126.65 1okd h PRO 41 Ca -0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1okd h PRO 41 Cb 1.36 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1okd h PRO 41 CO 0.45 -0.02 -0.00 -1.35 -0.21 0.00 0.00 178.00 176.87 1okd h PRO 42 N -0.03 -0.00 -4.60 1.05 0.11 -1.97 -3.46 132.00 123.10 1okd h PRO 42 Ca 0.11 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.12 1okd h PRO 42 Cb 0.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 1okd h PRO 42 CO -0.24 -0.00 -0.12 0.00 -0.21 0.00 0.00 178.00 177.43 1okd n ARG 44 N -2.63 0.08 0.00 0.00 0.00 -1.26 -4.97 116.66 107.88 1okd n ARG 44 Ca -0.05 -0.43 0.00 0.00 -0.00 0.00 0.00 57.85 57.37 1okd n ARG 44 Cb 0.54 0.45 0.00 0.00 0.00 0.00 0.00 32.46 33.45 1okd n ARG 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1okd n GLY 45 N -0.10 0.45 3.18 5.14 0.00 -1.26 -5.06 105.19 107.55 1okd n GLY 45 Ca -0.11 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.96 1okd n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1okd s PHE 46 N -0.04 -0.22 0.05 1.61 5.36 -1.26 -5.07 117.98 118.41 1okd s PHE 46 Ca 0.00 0.29 0.00 0.00 -0.96 0.00 0.00 56.93 56.26 1okd s PHE 46 Cb 0.00 0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.78 1okd s PHE 46 CO 0.00 -0.11 0.00 2.41 -1.46 0.00 0.00 175.22 176.06 1okd n THR 47 N 5.12 0.00 1.78 0.12 -1.04 -1.26 -4.95 114.28 114.06 1okd n THR 47 Ca -0.08 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.95 1okd n THR 47 Cb 0.55 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 69.13 1okd n THR 47 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1okd n PRO 48 N -2.43 1.16 0.09 -2.82 -0.04 -1.26 -3.66 135.00 126.04 1okd n PRO 48 Ca 0.00 -0.25 -0.05 0.00 -0.04 0.00 0.00 63.50 63.16 1okd n PRO 48 Cb 0.00 -1.08 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 1okd n PRO 48 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1okd h GLN 49 N 0.42 0.00 0.00 0.54 1.08 -1.97 -3.27 115.11 111.91 1okd h GLN 49 Ca 0.00 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.02 1okd h GLN 49 Cb 0.10 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 1okd h GLN 49 CO 0.00 0.86 -1.12 1.25 -0.95 0.00 0.00 178.83 178.87 1okd h LEU 50 N 0.00 0.00 -0.69 1.46 5.85 -1.98 -3.36 115.31 116.59 1okd h LEU 50 Ca -0.01 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.83 1okd h LEU 50 Cb 1.53 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.48 1okd h LEU 50 CO 0.11 0.71 0.26 0.40 -0.34 0.00 0.00 178.44 179.58 1okd h ILE 51 N 0.00 0.70 -0.73 4.05 1.08 -1.75 0.11 117.51 120.96 1okd h ILE 51 Ca -0.11 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.20 1okd h ILE 51 Cb 1.63 0.24 -0.03 0.00 -3.07 0.00 0.00 36.82 35.59 1okd h ILE 51 CO 0.07 0.08 0.40 -0.08 -0.69 0.00 0.00 178.15 177.93 1okd h GLU 52 N 0.42 1.02 -0.17 2.37 4.81 -1.71 1.26 114.58 122.57 1okd h GLU 52 Ca 0.37 -0.12 -0.16 0.00 -0.13 0.00 0.00 59.36 59.32 1okd h GLU 52 Cb 0.52 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1okd h GLU 52 CO -0.37 0.75 -0.52 0.35 -0.73 0.00 0.00 179.01 178.50 1okd h PHE 53 N 1.01 0.85 0.07 0.92 3.57 -1.49 -2.78 116.94 119.08 1okd h PHE 53 Ca 0.26 -0.34 -0.30 0.00 3.53 0.00 0.00 57.97 61.12 1okd h PHE 53 Cb 0.03 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 1okd h PHE 53 CO -0.00 1.13 -1.58 1.88 -2.23 0.00 0.00 178.31 177.51 1okd h TYR 54 N 0.32 0.28 0.00 0.41 -1.99 -0.71 -3.25 116.97 112.03 1okd h TYR 54 Ca -0.02 -0.20 -0.12 0.00 2.00 0.00 0.00 58.73 60.39 1okd h TYR 54 Cb 1.14 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.84 1okd h TYR 54 CO 0.10 1.28 -0.55 -0.44 -0.00 0.00 0.00 178.16 178.55 1okd h ASP 55 N 0.04 0.00 0.80 3.88 5.19 0.15 0.24 116.42 126.73 1okd h ASP 55 Ca -0.25 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 1okd h ASP 55 Cb 1.99 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.50 1okd h ASP 55 CO 0.13 0.55 -0.27 0.29 -3.12 0.00 0.00 179.24 176.82 1okd n LYS 56 N -3.42 0.04 0.00 3.56 4.76 -1.05 -3.99 118.16 118.06 1okd n LYS 56 Ca 0.00 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1okd n LYS 56 Cb 0.67 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 1okd n LYS 56 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1okd n PHE 57 N -1.60 0.00 -0.19 2.13 3.01 -1.18 -4.81 117.46 114.82 1okd n PHE 57 Ca 0.06 -0.06 0.29 0.00 1.01 0.00 0.00 57.45 58.75 1okd n PHE 57 Cb 0.35 -0.01 0.72 0.00 -0.01 0.00 0.00 39.48 40.54 1okd n PHE 57 CO 0.00 0.00 0.00 1.12 1.01 0.00 0.00 176.76 178.89 1okd h HIS 58 N 0.00 0.01 0.00 1.38 2.07 -0.64 0.24 115.15 118.20 1okd h HIS 58 Ca 0.00 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.31 1okd h HIS 58 Cb 0.41 -0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.36 1okd h HIS 58 CO 0.00 0.00 -1.01 0.93 -3.07 0.00 0.00 177.93 174.78 1okd h GLU 59 N 0.01 0.00 0.00 5.12 5.08 -1.86 -2.67 114.58 120.26 1okd h GLU 59 Ca 0.44 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1okd h GLU 59 Cb 1.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.01 1okd h GLU 59 CO -0.01 1.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.87 1okd n SER 60 N -3.35 0.00 0.00 1.42 3.41 0.75 -4.05 113.62 111.81 1okd n SER 60 Ca -0.00 0.53 0.06 0.00 -0.26 0.00 0.00 58.87 59.20 1okd n SER 60 Cb 0.94 -0.49 0.29 0.00 -0.26 0.00 0.00 64.21 64.70 1okd n SER 60 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1okd n LYS 61 N -1.97 0.10 -3.25 4.33 5.02 -0.75 -4.93 118.16 116.71 1okd n LYS 61 Ca 0.00 0.22 -0.23 0.00 -2.02 0.00 0.00 58.31 56.29 1okd n LYS 61 Cb 0.00 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.53 1okd n LYS 61 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1okd n ASN 62 N -1.38 -6.41 -4.09 4.39 6.94 -1.01 -4.87 115.26 108.83 1okd n ASN 62 Ca 0.05 0.21 -0.12 0.00 -0.02 0.00 0.00 54.58 54.70 1okd n ASN 62 Cb 0.12 -2.71 -0.09 0.00 -2.36 0.00 0.00 39.78 34.74 1okd n ASN 62 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 1okd s PHE 63 N -1.64 1.06 -0.00 -2.53 -0.71 -1.20 -4.07 117.98 108.89 1okd s PHE 63 Ca 0.26 -1.29 -0.00 0.00 -1.04 0.00 0.00 56.93 54.86 1okd s PHE 63 Cb -0.04 -0.44 0.00 0.00 -1.21 0.00 0.00 43.02 41.34 1okd s PHE 63 CO 0.69 -0.72 0.01 -2.00 -1.34 0.00 0.00 175.22 171.85 1okd s GLU 64 N -4.06 -0.00 -0.15 1.99 2.56 -0.65 -4.90 118.70 113.49 1okd s GLU 64 Ca 0.36 0.03 -0.01 0.00 0.00 0.00 0.00 54.97 55.35 1okd s GLU 64 Cb 0.05 -0.03 -0.02 0.00 2.00 0.00 0.00 34.13 36.14 1okd s GLU 64 CO 0.13 -0.02 -0.10 0.08 -0.56 0.00 0.00 175.26 174.78 1okd s VAL 65 N 0.15 3.24 -0.09 3.70 1.01 -1.26 -2.08 120.40 125.06 1okd s VAL 65 Ca -0.01 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 1okd s VAL 65 Cb -0.02 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1okd s VAL 65 CO -0.00 0.51 0.10 -0.69 0.00 0.00 0.00 175.10 175.01 1okd s VAL 66 N 0.49 5.12 -0.55 2.92 1.01 -0.68 -2.94 120.40 125.78 1okd s VAL 66 Ca -0.07 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.83 1okd s VAL 66 Cb -0.15 -3.23 0.14 0.00 0.00 0.00 0.00 36.38 33.13 1okd s VAL 66 CO 0.04 0.57 0.41 0.12 0.00 0.00 0.00 175.10 176.25 1okd s PHE 67 N -1.03 3.48 0.22 5.22 5.36 0.55 -2.69 117.98 129.08 1okd s PHE 67 Ca 0.16 -2.08 -0.10 0.00 -0.96 0.00 0.00 56.93 53.95 1okd s PHE 67 Cb -0.12 -3.48 -0.07 0.00 -0.34 0.00 0.00 43.02 39.01 1okd s PHE 67 CO 0.05 -0.96 0.55 0.00 -1.46 0.00 0.00 175.22 173.40 1okd s THR 69 N -1.77 5.12 -0.14 0.00 -1.32 -1.26 -3.66 115.64 112.61 1okd s THR 69 Ca 0.46 -0.79 0.22 0.00 -1.21 0.00 0.00 61.69 60.37 1okd s THR 69 Cb -0.12 -3.83 0.44 0.00 -1.51 0.00 0.00 72.50 67.48 1okd s THR 69 CO 0.21 -0.40 1.16 0.79 -2.21 0.00 0.00 174.62 174.16 1okd n TRP 70 N -1.57 0.44 -2.84 9.09 7.02 0.30 -4.66 117.44 125.22 1okd n TRP 70 Ca -0.07 -1.32 -0.21 0.00 -1.02 0.00 0.00 57.50 54.88 1okd n TRP 70 Cb 0.57 -0.04 0.07 0.00 -2.42 0.00 0.00 31.31 29.49 1okd n TRP 70 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1okd s ASP 71 N -2.71 4.85 -0.17 -0.99 1.11 -1.26 -4.46 116.67 113.04 1okd s ASP 71 Ca 0.27 -0.59 0.16 0.00 0.18 0.00 0.00 52.55 52.58 1okd s ASP 71 Cb 0.34 0.05 -0.23 0.00 1.07 0.00 0.00 42.92 44.15 1okd s ASP 71 CO -0.10 -1.50 0.08 -0.62 1.18 0.00 0.00 175.17 174.22 1okd n GLU 72 N -2.45 0.99 -4.38 8.23 -0.58 -1.26 -5.00 120.64 116.19 1okd n GLU 72 Ca 0.14 -0.02 -0.24 0.00 -0.42 0.00 0.00 57.16 56.63 1okd n GLU 72 Cb 0.61 -1.47 -0.09 0.00 -0.57 0.00 0.00 31.44 29.92 1okd n GLU 72 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1okd s GLU 73 N -2.49 1.99 0.33 3.49 2.12 -1.26 -5.03 118.70 117.84 1okd s GLU 73 Ca -0.09 -1.67 0.16 0.00 0.36 0.00 0.00 54.97 53.73 1okd s GLU 73 Cb 0.06 -1.93 0.52 0.00 0.26 0.00 0.00 34.13 33.04 1okd s GLU 73 CO 0.75 0.27 1.67 0.93 -0.54 0.00 0.00 175.26 178.34 1okd h GLU 74 N 2.01 0.00 -0.76 4.30 5.08 -2.00 -3.19 114.58 120.01 1okd h GLU 74 Ca -0.42 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.01 1okd h GLU 74 Cb 1.25 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.44 1okd h GLU 74 CO 0.63 0.46 0.43 0.22 -1.00 0.00 0.00 179.01 179.76 1okd h ASP 75 N 0.00 0.64 0.48 1.42 1.82 -1.99 -1.20 116.42 117.58 1okd h ASP 75 Ca -0.00 0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.65 1okd h ASP 75 Cb 1.01 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.94 1okd h ASP 75 CO 0.06 0.39 -0.23 1.23 -1.61 0.00 0.00 179.24 179.08 1okd h GLY 76 N 0.77 -0.67 1.05 -0.78 0.00 -1.97 -2.46 103.07 99.00 1okd h GLY 76 Ca 0.35 0.25 0.11 0.00 0.00 0.00 0.00 47.33 48.04 1okd h GLY 76 CO -0.21 -0.24 0.37 -2.75 0.00 0.00 0.00 176.54 173.70 1okd h PHE 77 N -0.90 0.00 0.20 5.60 3.57 -1.60 1.00 116.94 124.81 1okd h PHE 77 Ca -0.07 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1okd h PHE 77 Cb 0.59 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1okd h PHE 77 CO 0.00 0.00 -0.09 0.00 -2.23 0.00 0.00 178.31 175.99 1okd h ALA 78 N 1.63 -0.26 0.00 2.41 0.00 -1.02 0.30 119.26 122.32 1okd h ALA 78 Ca 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1okd h ALA 78 Cb 0.92 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1okd h ALA 78 CO -0.00 -0.36 0.00 0.41 0.00 0.00 0.00 179.25 179.30 1okd n GLY 79 N 0.39 -1.48 0.19 0.00 0.00 -0.83 -2.20 105.19 101.25 1okd n GLY 79 Ca -0.08 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1okd n GLY 79 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1okd n TYR 80 N -2.25 0.00 0.11 1.61 9.36 0.34 -4.06 117.16 122.27 1okd n TYR 80 Ca 0.04 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.24 1okd n TYR 80 Cb 0.33 -0.11 -0.00 0.00 -0.63 0.00 0.00 39.34 38.93 1okd n TYR 80 CO 0.00 0.00 0.00 0.35 0.22 0.00 0.00 176.86 177.43 1okd h PHE 81 N 0.92 0.00 -0.54 2.98 3.57 0.10 -3.25 116.94 120.72 1okd h PHE 81 Ca 0.00 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.63 1okd h PHE 81 Cb 0.56 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 1okd h PHE 81 CO 0.00 0.71 0.38 0.00 -2.23 0.00 0.00 178.31 177.17 1okd h ALA 82 N 1.29 2.32 -2.70 2.41 0.00 -1.71 -3.39 119.26 117.49 1okd h ALA 82 Ca -0.01 -0.01 -0.52 0.00 0.00 0.00 0.00 54.91 54.37 1okd h ALA 82 Cb 1.50 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.32 1okd h ALA 82 CO 0.09 -0.47 0.66 0.15 0.00 0.00 0.00 179.25 179.69 1okd s LYS 83 N -5.14 4.37 -0.31 0.00 -0.14 -1.23 -4.09 119.74 113.20 1okd s LYS 83 Ca -0.06 2.10 -0.12 0.00 -1.36 0.00 0.00 55.97 56.53 1okd s LYS 83 Cb 0.20 -3.17 0.02 0.00 -1.68 0.00 0.00 37.83 33.19 1okd s LYS 83 CO 0.74 -0.27 0.33 0.00 -0.76 0.00 0.00 175.35 175.39 1okd n MET 84 N 2.45 -0.90 0.00 1.68 0.00 -1.26 -4.79 117.12 114.30 1okd n MET 84 Ca 0.06 0.57 0.06 0.00 0.00 0.00 0.00 57.70 58.39 1okd n MET 84 Cb 0.42 -1.06 0.33 0.00 0.00 0.00 0.00 33.22 32.91 1okd n MET 84 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 1okd n PRO 85 N -0.74 0.82 0.00 3.17 -0.02 -1.26 -4.51 135.00 132.46 1okd n PRO 85 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1okd n PRO 85 Cb 0.35 -1.21 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 1okd n PRO 85 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1okd n TRP 86 N -0.71 0.00 -3.85 6.00 2.14 -1.26 -3.15 117.44 116.61 1okd n TRP 86 Ca 0.08 0.00 -0.14 0.00 2.07 0.00 0.00 57.50 59.51 1okd n TRP 86 Cb 0.04 -0.31 -0.15 0.00 -0.81 0.00 0.00 31.31 30.07 1okd n TRP 86 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1okd s LEU 87 N -4.52 1.47 -0.13 5.67 1.43 -1.15 -4.12 118.68 117.33 1okd s LEU 87 Ca 0.00 0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 53.05 1okd s LEU 87 Cb 0.00 -0.07 0.06 0.00 0.03 0.00 0.00 46.19 46.20 1okd s LEU 87 CO 0.00 -0.07 0.29 0.00 0.23 0.00 0.00 176.35 176.80 1okd s ALA 88 N 0.62 -0.68 -0.14 4.21 0.00 -0.75 0.21 121.76 125.22 1okd s ALA 88 Ca -0.05 1.11 -0.29 0.00 0.00 0.00 0.00 51.96 52.73 1okd s ALA 88 Cb -0.08 -0.82 -0.06 0.00 0.00 0.00 0.00 23.12 22.16 1okd s ALA 88 CO -0.02 -0.35 2.03 0.08 0.00 0.00 0.00 175.76 177.50 1okd s VAL 89 N 1.65 3.14 0.91 0.00 1.01 -1.26 0.14 120.40 125.99 1okd s VAL 89 Ca -0.06 0.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 1okd s VAL 89 Cb -0.11 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.14 1okd s VAL 89 CO -0.10 -0.07 0.40 -0.81 0.00 0.00 0.00 175.10 174.53 1okd n PRO 90 N 8.20 -0.16 0.16 2.72 -0.04 -1.26 -4.77 135.00 139.84 1okd n PRO 90 Ca 0.25 -0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.89 1okd n PRO 90 Cb 0.44 -1.83 0.77 0.00 -0.04 0.00 0.00 33.50 32.83 1okd n PRO 90 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1okd h PHE 91 N -1.31 0.00 -0.95 0.54 3.04 -1.98 -1.35 116.94 114.92 1okd h PHE 91 Ca -0.44 0.00 0.19 0.00 3.98 0.00 0.00 57.97 61.71 1okd h PHE 91 Cb 1.29 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 39.72 1okd h PHE 91 CO 0.38 0.00 0.61 0.00 -2.02 0.00 0.00 178.31 177.28 1okd h ALA 92 N 1.48 1.96 -0.34 2.41 0.00 -1.99 -0.22 119.26 122.55 1okd h ALA 92 Ca 0.14 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1okd h ALA 92 Cb 0.93 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 1okd h ALA 92 CO -0.00 -0.28 -0.03 1.04 0.00 0.00 0.00 179.25 179.98 1okd n GLN 93 N -4.62 2.13 -0.13 0.00 3.00 -0.51 -4.68 117.38 112.57 1okd n GLN 93 Ca 0.21 -3.07 0.18 0.00 -0.01 0.00 0.00 57.00 54.31 1okd n GLN 93 Cb 0.63 -1.83 0.58 0.00 0.00 0.00 0.00 30.24 29.62 1okd n GLN 93 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1okd h SER 94 N 1.19 0.24 -0.44 1.08 4.64 -1.05 0.30 113.55 119.51 1okd h SER 94 Ca 0.17 0.02 0.03 0.00 -0.47 0.00 0.00 61.79 61.54 1okd h SER 94 Cb 1.63 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.67 1okd h SER 94 CO 0.36 0.12 0.29 -0.08 -0.87 0.00 0.00 176.83 176.65 1okd h GLU 95 N 0.25 0.46 -0.79 4.77 4.81 -1.83 -0.89 114.58 121.35 1okd h GLU 95 Ca 0.35 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.56 1okd h GLU 95 Cb 1.01 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.25 1okd h GLU 95 CO -0.08 0.30 0.53 0.00 -0.73 0.00 0.00 179.01 179.03 1okd h ALA 96 N 1.75 1.44 -0.80 2.92 0.00 -0.68 -0.11 119.26 123.78 1okd h ALA 96 Ca 0.18 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1okd h ALA 96 Cb 0.13 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1okd h ALA 96 CO -0.04 0.52 0.52 0.28 0.00 0.00 0.00 179.25 180.53 1okd h VAL 97 N 1.07 1.07 0.00 0.00 2.07 -1.18 1.59 116.25 120.87 1okd h VAL 97 Ca 0.29 -0.31 -0.21 0.00 0.82 0.00 0.00 66.70 67.29 1okd h VAL 97 Cb -0.12 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.70 1okd h VAL 97 CO -0.06 0.17 -1.13 1.56 0.02 0.00 0.00 177.57 178.12 1okd h GLN 98 N 0.90 0.00 0.03 1.57 4.20 -1.35 -2.14 115.11 118.32 1okd h GLN 98 Ca 0.34 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.81 1okd h GLN 98 Cb 0.17 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1okd h GLN 98 CO -0.11 0.78 -1.15 0.87 -0.67 0.00 0.00 178.83 178.55 1okd h LYS 99 N 0.00 0.07 0.00 1.46 1.57 0.02 -3.11 116.57 116.58 1okd h LYS 99 Ca -0.08 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1okd h LYS 99 Cb 1.77 0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.13 1okd h LYS 99 CO 0.11 1.00 -0.00 1.37 -0.57 0.00 0.00 179.45 181.35 1okd h LEU 100 N 0.02 -0.00 -1.25 2.94 8.10 0.28 -3.27 115.31 122.12 1okd h LEU 100 Ca -0.08 -0.93 0.21 0.00 0.11 0.00 0.00 57.88 57.20 1okd h LEU 100 Cb 1.85 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 41.98 1okd h LEU 100 CO 0.14 0.96 0.62 0.28 -4.11 0.00 0.00 178.44 176.33 1okd h SER 101 N -0.99 0.58 0.13 0.17 0.02 -1.53 0.38 113.55 112.32 1okd h SER 101 Ca -0.00 0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1okd h SER 101 Cb 0.93 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 1okd h SER 101 CO 0.00 0.19 -0.19 0.50 -1.14 0.00 0.00 176.83 176.19 1okd h LYS 102 N 0.56 0.11 -0.02 3.45 3.64 -1.63 -2.22 116.57 120.47 1okd h LYS 102 Ca 0.55 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.77 1okd h LYS 102 Cb 1.14 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1okd h LYS 102 CO -0.30 0.31 -0.63 0.45 -2.27 0.00 0.00 179.45 177.01 1okd h HIS 103 N 0.11 0.08 -0.07 1.91 3.86 -0.30 -2.78 115.15 117.95 1okd h HIS 103 Ca 0.02 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1okd h HIS 103 Cb 0.40 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.86 1okd h HIS 103 CO 0.00 0.67 0.00 1.19 0.86 0.00 0.00 177.93 180.65 1okd n PHE 104 N -3.81 0.09 -2.41 2.45 3.72 -0.85 -4.89 117.46 111.75 1okd n PHE 104 Ca -0.02 -0.04 -0.15 0.00 -0.05 0.00 0.00 57.45 57.19 1okd n PHE 104 Cb 0.62 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.16 1okd n PHE 104 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1okd n ASN 105 N -0.24 -4.47 -4.53 4.37 5.15 -1.05 -4.78 115.26 109.70 1okd n ASN 105 Ca 0.16 0.14 -0.37 0.00 -0.60 0.00 0.00 54.58 53.91 1okd n ASN 105 Cb 0.21 -3.77 -0.07 0.00 -0.53 0.00 0.00 39.78 35.61 1okd n ASN 105 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1okd n VAL 106 N -3.54 -0.06 -0.26 3.44 0.31 -1.11 -4.77 118.33 112.34 1okd n VAL 106 Ca -0.17 -0.51 0.11 0.00 -0.01 0.00 0.00 64.34 63.75 1okd n VAL 106 Cb 0.63 -1.96 0.37 0.00 -0.91 0.00 0.00 33.84 31.97 1okd n VAL 106 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1okd h GLU 107 N 16.79 0.69 0.00 5.55 5.08 -1.92 -3.45 114.58 137.32 1okd h GLU 107 Ca -0.17 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1okd h GLU 107 Cb 1.28 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1okd h GLU 107 CO 1.24 0.46 0.00 -1.13 -1.00 0.00 0.00 179.01 178.58 1okd n SER 108 N -4.55 0.00 -4.87 1.42 3.41 -1.26 -5.17 113.62 102.60 1okd n SER 108 Ca 0.16 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.46 1okd n SER 108 Cb 0.43 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.39 1okd n SER 108 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1okd s ILE 109 N -2.00 4.70 0.82 -1.33 -5.25 -1.26 -4.54 121.20 112.35 1okd s ILE 109 Ca 0.00 0.89 -0.12 0.00 -0.99 0.00 0.00 60.65 60.43 1okd s ILE 109 Cb 0.00 -3.87 0.08 0.00 2.95 0.00 0.00 42.46 41.63 1okd s ILE 109 CO 0.00 -1.13 1.10 -2.84 -1.79 0.00 0.00 174.94 170.28 1okd s PRO 110 N -5.14 1.88 0.03 0.37 0.02 -1.26 -5.02 135.00 125.88 1okd s PRO 110 Ca 0.55 0.61 -0.18 0.00 0.02 0.00 0.00 61.00 62.00 1okd s PRO 110 Cb -0.11 -1.90 0.04 0.00 0.02 0.00 0.00 34.50 32.55 1okd s PRO 110 CO 0.53 -1.75 0.41 0.99 -0.33 0.00 0.00 177.00 176.85 1okd s THR 111 N -3.15 0.05 -0.13 0.99 2.01 0.30 -4.96 115.64 110.75 1okd s THR 111 Ca 0.61 -0.43 -0.05 0.00 0.31 0.00 0.00 61.69 62.13 1okd s THR 111 Cb -0.15 -0.90 0.06 0.00 0.01 0.00 0.00 72.50 71.52 1okd s THR 111 CO 0.54 -0.24 0.27 -0.22 -0.69 0.00 0.00 174.62 174.28 1okd s LEU 112 N -1.85 -0.08 0.06 4.42 2.96 -1.26 0.20 118.68 123.13 1okd s LEU 112 Ca -0.07 0.60 0.02 0.00 -0.22 0.00 0.00 54.13 54.45 1okd s LEU 112 Cb -0.01 0.76 -0.03 0.00 0.50 0.00 0.00 46.19 47.40 1okd s LEU 112 CO -0.01 -0.21 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.12 1okd s ILE 113 N 2.02 0.52 -0.07 6.68 1.01 -1.03 0.25 121.20 130.57 1okd s ILE 113 Ca -0.03 -1.41 0.04 0.00 0.00 0.00 0.00 60.65 59.26 1okd s ILE 113 Cb -0.11 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 1okd s ILE 113 CO -0.09 -0.61 -0.18 -0.83 0.00 0.00 0.00 174.94 173.23 1okd s GLY 114 N -2.16 1.44 0.09 6.18 0.00 -1.25 0.70 107.32 112.31 1okd s GLY 114 Ca -0.02 -0.99 0.04 0.00 0.00 0.00 0.00 44.72 43.75 1okd s GLY 114 CO -0.02 -0.57 -0.10 -1.34 0.00 0.00 0.00 173.10 171.06 1okd s VAL 115 N -0.22 0.90 -0.14 1.40 -7.23 0.16 -0.24 120.40 115.03 1okd s VAL 115 Ca -0.00 -1.56 -0.21 0.00 -1.81 0.00 0.00 61.98 58.39 1okd s VAL 115 Cb -0.13 -1.27 -0.03 0.00 0.56 0.00 0.00 36.38 35.50 1okd s VAL 115 CO 0.03 -0.52 0.61 -1.81 -0.31 0.00 0.00 175.10 173.09 1okd s ASP 116 N -2.32 6.77 -0.01 4.85 1.01 -1.24 0.10 116.67 125.84 1okd s ASP 116 Ca 0.03 0.93 -0.25 0.00 0.71 0.00 0.00 52.55 53.97 1okd s ASP 116 Cb -0.04 -2.35 -0.19 0.00 1.01 0.00 0.00 42.92 41.35 1okd s ASP 116 CO 0.00 -0.15 1.28 0.00 0.21 0.00 0.00 175.17 176.51 1okd h ALA 117 N 7.06 0.04 0.01 5.23 0.00 -1.81 -0.50 119.26 129.30 1okd h ALA 117 Ca -0.37 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 1okd h ALA 117 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1okd h ALA 117 CO 0.76 -0.18 -0.01 0.22 0.00 0.00 0.00 179.25 180.04 1okd h ASP 118 N -0.39 -0.02 -0.62 0.00 1.82 -1.79 -2.90 116.42 112.52 1okd h ASP 118 Ca 0.00 -0.77 0.02 0.00 -0.39 0.00 0.00 57.03 55.90 1okd h ASP 118 Cb 0.53 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.51 1okd h ASP 118 CO 0.01 0.82 0.39 0.28 -1.61 0.00 0.00 179.24 179.13 1okd h SER 119 N -0.92 0.65 0.00 2.28 0.02 -1.95 -3.45 113.55 110.18 1okd h SER 119 Ca -0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1okd h SER 119 Cb 0.79 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1okd h SER 119 CO 0.00 0.45 0.00 0.61 -1.14 0.00 0.00 176.83 176.76 1okd n GLY 120 N -1.27 2.10 3.67 -3.77 0.00 -0.19 -4.81 105.19 100.92 1okd n GLY 120 Ca 0.06 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1okd n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1okd n ASP 121 N 2.63 1.28 -4.68 1.61 8.00 -1.26 -4.57 116.55 119.56 1okd n ASP 121 Ca 0.00 0.77 -0.42 0.00 0.71 0.00 0.00 54.79 55.84 1okd n ASP 121 Cb 0.00 -1.48 -0.03 0.00 -0.02 0.00 0.00 41.12 39.60 1okd n ASP 121 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1okd s VAL 122 N -1.57 3.08 -0.17 2.53 1.01 -1.26 -3.65 120.40 120.37 1okd s VAL 122 Ca 0.78 0.47 0.02 0.00 0.00 0.00 0.00 61.98 63.26 1okd s VAL 122 Cb -0.37 -3.30 -0.22 0.00 0.00 0.00 0.00 36.38 32.48 1okd s VAL 122 CO 0.45 -0.01 0.17 0.52 0.00 0.00 0.00 175.10 176.23 1okd n VAL 123 N 4.85 1.61 -4.18 2.92 0.31 -1.20 -4.96 118.33 117.69 1okd n VAL 123 Ca 0.16 -0.67 -0.11 0.00 -0.01 0.00 0.00 64.34 63.71 1okd n VAL 123 Cb 0.41 -1.37 -0.10 0.00 -0.91 0.00 0.00 33.84 31.87 1okd n VAL 123 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1okd s THR 124 N -2.54 0.38 -0.31 2.52 -4.23 0.67 -2.84 115.64 109.28 1okd s THR 124 Ca -0.23 -1.92 0.16 0.00 -1.18 0.00 0.00 61.69 58.52 1okd s THR 124 Cb 0.08 -1.97 0.43 0.00 1.34 0.00 0.00 72.50 72.38 1okd s THR 124 CO 0.73 -0.58 1.42 0.35 -0.54 0.00 0.00 174.62 176.00 1okd n THR 125 N -0.12 0.35 -2.64 3.99 -2.24 -1.26 -3.93 114.28 108.44 1okd n THR 125 Ca -0.08 -1.52 -0.03 0.00 -2.27 0.00 0.00 64.05 60.15 1okd n THR 125 Cb 0.63 1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.91 1okd n THR 125 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1okd n ARG 126 N -1.27 0.02 0.00 -0.78 0.00 -1.25 -5.00 116.66 108.38 1okd n ARG 126 Ca -0.11 -0.49 0.10 0.00 -0.00 0.00 0.00 57.85 57.35 1okd n ARG 126 Cb 0.86 -0.00 0.46 0.00 -0.00 0.00 0.00 32.46 33.78 1okd n ARG 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1okd n ALA 127 N -0.47 1.98 0.10 2.89 0.00 0.68 -1.39 120.51 124.31 1okd n ALA 127 Ca -0.29 -0.08 -0.24 0.00 0.00 0.00 0.00 53.44 52.83 1okd n ALA 127 Cb 0.61 -1.32 -0.15 0.00 0.00 0.00 0.00 19.45 18.58 1okd n ALA 127 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1okd h ARG 128 N 0.00 0.45 0.15 0.00 0.11 -1.66 -3.12 114.38 110.32 1okd h ARG 128 Ca 0.00 -0.78 -0.33 0.00 0.10 0.00 0.00 59.98 58.97 1okd h ARG 128 Cb 0.26 0.29 0.00 0.00 1.11 0.00 0.00 29.97 31.63 1okd h ARG 128 CO 0.00 1.37 -1.68 0.00 0.10 0.00 0.00 179.97 179.76 1okd h ALA 129 N 0.12 0.23 0.02 0.08 0.00 -1.83 -3.36 119.26 114.51 1okd h ALA 129 Ca -0.29 -1.15 -0.00 0.00 0.00 0.00 0.00 54.91 53.47 1okd h ALA 129 Cb 2.09 0.40 0.00 0.00 0.00 0.00 0.00 17.79 20.28 1okd h ALA 129 CO 0.22 1.10 -0.01 1.79 0.00 0.00 0.00 179.25 182.35 1okd h THR 130 N 0.09 1.27 -0.83 0.00 1.35 -1.40 0.76 112.91 114.15 1okd h THR 130 Ca -0.31 -0.87 0.18 0.00 -0.55 0.00 0.00 66.41 64.86 1okd h THR 130 Cb 2.06 1.85 -0.06 0.00 -1.73 0.00 0.00 68.15 70.28 1okd h THR 130 CO 0.17 0.22 0.55 0.25 -0.25 0.00 0.00 175.52 176.46 1okd h LEU 131 N -0.40 0.37 0.12 3.87 6.46 -1.74 1.33 115.31 125.32 1okd h LEU 131 Ca -0.00 0.03 -0.36 0.00 -0.12 0.00 0.00 57.88 57.43 1okd h LEU 131 Cb 0.39 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.26 1okd h LEU 131 CO 0.00 0.17 -1.94 0.58 -0.62 0.00 0.00 178.44 176.63 1okd h VAL 132 N 0.38 0.66 -0.58 1.05 2.07 -1.69 -3.37 116.25 114.77 1okd h VAL 132 Ca 0.42 -2.34 -0.14 0.00 0.82 0.00 0.00 66.70 65.46 1okd h VAL 132 Cb 1.05 2.51 -0.08 0.00 -1.52 0.00 0.00 31.29 33.25 1okd h VAL 132 CO -0.14 0.87 0.17 0.29 0.02 0.00 0.00 177.57 178.79 1okd n LYS 133 N -3.55 3.46 -2.81 1.57 5.02 0.26 -4.43 118.16 117.69 1okd n LYS 133 Ca -0.31 -2.51 -0.10 0.00 -2.02 0.00 0.00 58.31 53.37 1okd n LYS 133 Cb 1.03 -2.07 0.04 0.00 -0.02 0.00 0.00 35.03 34.01 1okd n LYS 133 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1okd n ASP 134 N 0.07 -2.45 -0.19 4.39 -0.08 0.45 -4.85 116.55 113.89 1okd n ASP 134 Ca 0.31 -3.25 0.00 0.00 -1.51 0.00 0.00 54.79 50.35 1okd n ASP 134 Cb 1.16 1.50 0.01 0.00 2.34 0.00 0.00 41.12 46.13 1okd n ASP 134 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1okd n PRO 135 N 1.54 1.08 -0.03 -0.67 -0.04 -1.26 -3.20 135.00 132.42 1okd n PRO 135 Ca 0.11 -0.09 0.03 0.00 -0.04 0.00 0.00 63.50 63.50 1okd n PRO 135 Cb 0.62 -1.17 -0.13 0.00 -0.04 0.00 0.00 33.50 32.79 1okd n PRO 135 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1okd n GLU 136 N -0.30 0.83 -1.51 0.54 1.02 -1.26 -4.98 120.64 114.99 1okd n GLU 136 Ca 0.01 -0.10 -0.18 0.00 -0.02 0.00 0.00 57.16 56.87 1okd n GLU 136 Cb 0.10 -1.39 -0.08 0.00 -0.02 0.00 0.00 31.44 30.05 1okd n GLU 136 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1okd n GLY 137 N 1.73 1.67 0.14 0.62 0.00 -1.19 -4.79 105.19 103.37 1okd n GLY 137 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1okd n GLY 137 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1okd n GLU 138 N -2.17 0.18 -0.41 1.61 0.28 -1.26 -2.39 120.64 116.49 1okd n GLU 138 Ca -0.18 0.50 0.02 0.00 -0.16 0.00 0.00 57.16 57.35 1okd n GLU 138 Cb 0.58 -1.91 0.03 0.00 1.43 0.00 0.00 31.44 31.57 1okd n GLU 138 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1okd n GLN 139 N -2.25 0.28 0.00 3.44 6.02 -1.26 -4.98 117.38 118.63 1okd n GLN 139 Ca 0.01 -1.34 0.00 0.00 -0.01 0.00 0.00 57.00 55.66 1okd n GLN 139 Cb 0.16 -0.71 0.00 0.00 1.02 0.00 0.00 30.24 30.70 1okd n GLN 139 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1okd n PHE 140 N -0.31 0.00 0.07 1.08 7.35 -1.00 0.44 117.46 125.09 1okd n PHE 140 Ca 0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 1okd n PHE 140 Cb 0.69 -0.49 0.01 0.00 0.35 0.00 0.00 39.48 40.03 1okd n PHE 140 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1okd n PRO 141 N -3.90 0.03 -0.69 -7.13 -0.04 -1.26 -4.77 135.00 117.24 1okd n PRO 141 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1okd n PRO 141 Cb 0.00 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1okd n PRO 141 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1okd n TRP 142 N -0.60 0.00 -4.13 0.54 8.01 1.53 -4.06 117.44 118.72 1okd n TRP 142 Ca 0.00 0.00 -0.23 0.00 -1.31 0.00 0.00 57.50 55.96 1okd n TRP 142 Cb 0.00 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.25 1okd n TRP 142 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.69 175.09 1okd s LYS 143 N -0.78 2.83 0.00 -0.99 -2.85 -1.13 -4.30 119.74 112.53 1okd s LYS 143 Ca 0.00 -1.05 0.00 0.00 -1.00 0.00 0.00 55.97 53.92 1okd s LYS 143 Cb 0.00 -2.53 0.00 0.00 -2.06 0.00 0.00 37.83 33.24 1okd s LYS 143 CO 0.00 0.42 0.00 -3.47 0.10 0.00 0.00 175.35 172.40 1okd n ASP 144 N -0.93 0.00 0.18 0.03 2.03 -1.26 -4.76 116.55 111.84 1okd n ASP 144 Ca -0.08 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.09 1okd n ASP 144 Cb 0.57 -1.69 -0.08 0.00 -0.72 0.00 0.00 41.12 39.21 1okd n ASP 144 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1okd h ALA 145 N 0.00 -0.38 -0.15 -1.67 0.00 -1.95 -2.60 119.26 112.51 1okd h ALA 145 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1okd h ALA 145 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1okd h ALA 145 CO 0.00 -0.71 0.00 -0.35 0.00 0.00 0.00 179.25 178.19 1okd n PRO 146 N -5.25 1.56 0.31 0.00 -0.04 -1.26 -4.15 135.00 126.17 1okd n PRO 146 Ca -0.10 -0.62 0.19 0.00 -0.04 0.00 0.00 63.50 62.93 1okd n PRO 146 Cb 0.17 -1.34 1.04 0.00 -0.04 0.00 0.00 33.50 33.33 1okd n PRO 146 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1okd h LEU 147 N 0.91 0.00-10.15 1.53 7.12 -1.84 -3.42 115.31 109.46 1okd h LEU 147 Ca 0.00 0.00 -0.47 0.00 0.13 0.00 0.00 57.88 57.54 1okd h LEU 147 Cb 0.46 0.00 0.21 0.00 -0.53 0.00 0.00 40.66 40.80 1okd h LEU 147 CO 0.04 0.00 0.03 -1.84 -0.13 0.00 0.00 178.44 176.54 1okd n GLU 148 N -3.30 -1.84 0.00 1.25 0.28 -1.26 -5.15 120.64 110.61 1okd n GLU 148 Ca -0.02 -0.50 0.00 0.00 -0.16 0.00 0.00 57.16 56.48 1okd n GLU 148 Cb 0.16 -2.22 0.00 0.00 1.43 0.00 0.00 31.44 30.81 1okd n GLU 148 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69