#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1okd h GLY 3 N 0.00 0.00 0.83 0.23 0.00 -1.69 -3.16 103.07 99.29 1okd h GLY 3 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.46 1okd h GLY 3 CO 0.00 0.00 0.46 1.41 0.00 0.00 0.00 176.54 178.41 1okd h LEU 4 N 0.00 0.00 -1.22 3.11 3.38 -1.86 0.91 115.31 119.64 1okd h LEU 4 Ca -0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1okd h LEU 4 Cb 0.99 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.68 1okd h LEU 4 CO 0.03 0.00 0.57 0.44 0.09 0.00 0.00 178.44 179.57 1okd h ASP 5 N 0.00 0.79 -0.50 -0.43 3.32 -1.81 0.32 116.42 118.11 1okd h ASP 5 Ca 0.21 0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.37 1okd h ASP 5 Cb 1.13 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 40.46 1okd h ASP 5 CO -0.00 0.47 0.08 0.50 -1.72 0.00 0.00 179.24 178.57 1okd h LYS 6 N 0.88 0.20 -0.00 3.56 3.64 -1.06 0.28 116.57 124.07 1okd h LYS 6 Ca 0.40 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1okd h LYS 6 Cb 0.39 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1okd h LYS 6 CO -0.17 0.13 -0.19 0.66 -2.27 0.00 0.00 179.45 177.62 1okd n TYR 7 N -5.14 0.00 -3.84 1.91 4.01 -0.71 -4.53 117.16 108.85 1okd n TYR 7 Ca 0.06 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.47 1okd n TYR 7 Cb 0.26 -0.23 -0.12 0.00 -0.31 0.00 0.00 39.34 38.94 1okd n TYR 7 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1okd s LEU 8 N -2.65 4.76 -0.32 7.72 1.43 0.09 -4.47 118.68 125.24 1okd s LEU 8 Ca 0.23 -3.07 -0.29 0.00 -1.03 0.00 0.00 54.13 49.97 1okd s LEU 8 Cb 0.19 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 1okd s LEU 8 CO 0.53 -0.27 1.54 -2.84 0.23 0.00 0.00 176.35 175.54 1okd s PRO 9 N -0.37 3.65 -0.26 1.29 0.02 -1.25 -4.29 135.00 133.79 1okd s PRO 9 Ca 0.18 1.31 -0.04 0.00 0.02 0.00 0.00 61.00 62.48 1okd s PRO 9 Cb -0.21 -4.04 0.00 0.00 0.02 0.00 0.00 34.50 30.27 1okd s PRO 9 CO -0.03 -1.47 0.14 0.41 -0.33 0.00 0.00 177.00 175.72 1okd n GLY 10 N 4.89 -3.07 2.90 0.52 0.00 -1.26 -4.81 105.19 104.36 1okd n GLY 10 Ca 0.18 0.49 -0.22 0.00 0.00 0.00 0.00 46.02 46.47 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 -1.53 0.67 0.00 -0.61 -1.09 -1.26 -4.88 121.20 112.50 1okd s ILE 11 Ca 0.06 -0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.31 1okd s ILE 11 Cb -0.02 -0.69 0.00 0.00 -1.58 0.00 0.00 42.46 40.17 1okd s ILE 11 CO 0.58 0.27 0.00 1.21 -1.23 0.00 0.00 174.94 175.77 1okd n GLU 12 N 4.26 0.00 -4.15 2.79 2.13 -1.26 -5.07 120.64 119.34 1okd n GLU 12 Ca -0.21 0.16 -0.10 0.00 0.66 0.00 0.00 57.16 57.67 1okd n GLU 12 Cb 0.51 -0.57 -0.10 0.00 0.27 0.00 0.00 31.44 31.55 1okd n GLU 12 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1okd s LYS 13 N -0.66 1.03 0.34 5.31 -0.14 -1.26 -4.68 119.74 119.68 1okd s LYS 13 Ca 0.00 -1.48 0.07 0.00 -1.36 0.00 0.00 55.97 53.20 1okd s LYS 13 Cb 0.00 0.26 -0.01 0.00 -1.68 0.00 0.00 37.83 36.40 1okd s LYS 13 CO 0.00 -0.32 0.46 -0.51 -0.76 0.00 0.00 175.35 174.22 1okd s LEU 14 N -3.08 3.94 -0.37 3.17 2.01 -1.24 -4.44 118.68 118.67 1okd s LEU 14 Ca 0.28 -0.22 -0.04 0.00 0.01 0.00 0.00 54.13 54.17 1okd s LEU 14 Cb 0.07 -2.71 0.08 0.00 0.01 0.00 0.00 46.19 43.64 1okd s LEU 14 CO 0.05 -0.44 0.15 -0.13 1.01 0.00 0.00 176.35 176.99 1okd s ARG 15 N -4.17 2.25 0.00 1.70 0.52 0.40 -3.27 118.95 116.39 1okd s ARG 15 Ca 0.45 -1.57 0.30 0.00 -0.52 0.00 0.00 55.73 54.40 1okd s ARG 15 Cb -0.09 -3.49 1.54 0.00 0.52 0.00 0.00 34.95 33.43 1okd s ARG 15 CO 0.31 -0.90 2.06 -2.13 0.02 0.00 0.00 175.30 174.66 1okd n ARG 16 N 4.66 0.51 0.00 3.54 0.63 -1.15 0.12 116.66 124.97 1okd n ARG 16 Ca -0.07 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 1okd n ARG 16 Cb 0.42 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.83 1okd n ARG 16 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1okd n GLY 17 N 1.26 0.32 0.57 5.14 0.00 -1.26 -4.56 105.19 106.65 1okd n GLY 17 Ca 0.15 -1.26 0.40 0.00 0.00 0.00 0.00 46.02 45.32 1okd n GLY 17 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1okd h ASP 18 N 0.00 0.07 -4.38 1.61 3.32 -1.89 -3.41 116.42 111.74 1okd h ASP 18 Ca 0.00 0.03 -0.33 0.00 0.02 0.00 0.00 57.03 56.74 1okd h ASP 18 Cb 0.00 0.02 -0.14 0.00 0.22 0.00 0.00 39.33 39.42 1okd h ASP 18 CO 0.00 -0.02 -0.64 -0.83 -1.72 0.00 0.00 179.24 176.04 1okd s GLY 19 N -3.95 1.53 0.18 2.75 0.00 -1.26 -5.16 107.32 101.41 1okd s GLY 19 Ca -0.06 -1.76 0.03 0.00 0.00 0.00 0.00 44.72 42.94 1okd s GLY 19 CO 0.84 -1.59 0.31 -0.54 0.00 0.00 0.00 173.10 172.12 1okd s GLU 20 N -3.96 3.43 0.17 2.90 8.01 -1.26 -2.92 118.70 125.07 1okd s GLU 20 Ca 0.31 -0.66 0.03 0.00 0.01 0.00 0.00 54.97 54.66 1okd s GLU 20 Cb 0.07 -2.93 -0.05 0.00 -4.31 0.00 0.00 34.13 26.91 1okd s GLU 20 CO 0.09 0.49 -0.03 0.14 0.01 0.00 0.00 175.26 175.96 1okd s VAL 21 N -1.83 0.87 0.26 2.63 -7.23 -1.20 -4.91 120.40 108.99 1okd s VAL 21 Ca 0.34 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 58.21 1okd s VAL 21 Cb -0.10 -2.06 -0.09 0.00 0.56 0.00 0.00 36.38 34.69 1okd s VAL 21 CO 0.29 -0.55 1.01 -1.61 -0.31 0.00 0.00 175.10 173.93 1okd s GLU 22 N -3.86 4.74 0.56 4.82 8.01 -1.26 -3.70 118.70 128.01 1okd s GLU 22 Ca 0.22 1.62 0.26 0.00 0.01 0.00 0.00 54.97 57.08 1okd s GLU 22 Cb 0.05 -3.21 1.50 0.00 -4.31 0.00 0.00 34.13 28.16 1okd s GLU 22 CO 0.03 0.37 2.04 0.28 0.01 0.00 0.00 175.26 177.98 1okd h VAL 23 N 3.09 0.61 -0.63 2.63 2.07 -1.95 -1.16 116.25 120.91 1okd h VAL 23 Ca -0.46 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.24 1okd h VAL 23 Cb 1.20 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1okd h VAL 23 CO 0.67 0.00 0.56 0.07 0.02 0.00 0.00 177.57 178.90 1okd h LYS 24 N 0.00 0.00 0.00 1.57 2.10 -1.97 0.27 116.57 118.54 1okd h LYS 24 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 1okd h LYS 24 Cb 0.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 1okd h LYS 24 CO -0.00 0.00 0.00 1.03 -2.00 0.00 0.00 179.45 178.48 1okd h SER 25 N 0.00 0.00 -1.59 7.07 0.87 -1.60 -2.28 113.55 116.03 1okd h SER 25 Ca 0.30 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 60.22 1okd h SER 25 Cb 1.42 0.00 -0.38 0.00 -0.44 0.00 0.00 62.40 63.01 1okd h SER 25 CO -0.00 0.00 -0.21 0.18 -0.53 0.00 0.00 176.83 176.27 1okd n LEU 26 N -2.56 5.57 -4.12 2.23 4.77 0.95 -4.93 117.00 118.92 1okd n LEU 26 Ca -0.02 -5.06 -0.37 0.00 -0.03 0.00 0.00 56.01 50.53 1okd n LEU 26 Cb 0.06 -0.63 -0.09 0.00 -2.33 0.00 0.00 43.42 40.43 1okd n LEU 26 CO 0.14 2.08 0.06 0.00 -1.33 0.00 0.00 177.39 178.34 1okd s ALA 27 N -3.70 3.60 0.00 -1.18 0.00 -0.86 -4.43 121.76 115.19 1okd s ALA 27 Ca 0.50 -3.21 0.00 0.00 0.00 0.00 0.00 51.96 49.25 1okd s ALA 27 Cb 0.41 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.81 1okd s ALA 27 CO -0.23 -2.10 0.00 0.41 0.00 0.00 0.00 175.76 173.84 1okd n GLY 28 N 3.61 0.57 3.31 0.00 0.00 -1.26 -4.97 105.19 106.46 1okd n GLY 28 Ca 0.07 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.03 0.85 -0.69 1.61 -2.85 -1.26 -4.86 119.74 112.50 1okd s LYS 29 Ca 0.00 -0.28 -0.27 0.00 -1.00 0.00 0.00 55.97 54.42 1okd s LYS 29 Cb 0.00 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 1okd s LYS 29 CO 0.00 -0.27 1.60 -1.17 0.10 0.00 0.00 175.35 175.60 1okd s LEU 30 N -1.76 3.24 -0.31 2.77 2.96 -1.26 -2.78 118.68 121.53 1okd s LEU 30 Ca -0.08 -0.11 -0.24 0.00 -0.22 0.00 0.00 54.13 53.48 1okd s LEU 30 Cb -0.02 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 44.13 1okd s LEU 30 CO 0.00 -2.13 0.83 -0.69 -1.32 0.00 0.00 176.35 173.04 1okd s VAL 31 N 7.53 4.75 0.53 1.68 1.01 0.13 -3.16 120.40 132.87 1okd s VAL 31 Ca 0.53 1.23 -0.06 0.00 0.00 0.00 0.00 61.98 63.67 1okd s VAL 31 Cb -0.10 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1okd s VAL 31 CO 0.16 -0.30 0.85 -0.36 0.00 0.00 0.00 175.10 175.45 1okd s PHE 32 N 3.07 3.50 -0.22 5.22 0.08 -0.21 -1.65 117.98 127.78 1okd s PHE 32 Ca 0.34 0.84 -0.04 0.00 0.12 0.00 0.00 56.93 58.20 1okd s PHE 32 Cb -0.14 -2.46 0.07 0.00 -0.57 0.00 0.00 43.02 39.92 1okd s PHE 32 CO 0.13 -0.46 0.09 -0.06 -0.10 0.00 0.00 175.22 174.82 1okd s PHE 33 N -2.86 0.57 -0.43 0.36 0.40 1.73 -0.80 117.98 116.94 1okd s PHE 33 Ca 0.50 -0.72 -0.19 0.00 -0.60 0.00 0.00 56.93 55.93 1okd s PHE 33 Cb -0.10 -0.92 0.03 0.00 0.51 0.00 0.00 43.02 42.53 1okd s PHE 33 CO 0.46 -0.65 0.52 -0.47 0.70 0.00 0.00 175.22 175.78 1okd s TYR 34 N 2.01 3.13 -0.21 0.36 5.04 3.36 -2.08 117.35 128.96 1okd s TYR 34 Ca 0.04 -0.29 -0.15 0.00 -2.44 0.00 0.00 57.07 54.23 1okd s TYR 34 Cb -0.16 -3.09 -0.04 0.00 0.35 0.00 0.00 41.96 39.01 1okd s TYR 34 CO -0.17 -0.78 0.38 -0.06 -1.34 0.00 0.00 175.55 173.57 1okd s PHE 35 N 2.40 3.36 0.01 4.97 0.08 -1.02 0.28 117.98 128.06 1okd s PHE 35 Ca 0.16 0.57 -0.29 0.00 0.12 0.00 0.00 56.93 57.49 1okd s PHE 35 Cb -0.16 -2.51 0.11 0.00 -0.57 0.00 0.00 43.02 39.89 1okd s PHE 35 CO 0.15 -0.02 1.24 -1.54 -0.10 0.00 0.00 175.22 174.95 1okd s SER 36 N 1.09 -0.05 0.27 1.36 1.04 0.12 -2.20 113.70 115.33 1okd s SER 36 Ca 0.18 -0.21 0.04 0.00 0.48 0.00 0.00 55.95 56.43 1okd s SER 36 Cb -0.15 0.21 -0.06 0.00 0.10 0.00 0.00 66.02 66.13 1okd s SER 36 CO 0.08 -0.40 0.02 0.00 0.98 0.00 0.00 173.24 173.91 1okd s ALA 37 N -2.40 2.06 0.18 5.32 0.00 -1.26 0.12 121.76 125.77 1okd s ALA 37 Ca 0.18 -1.89 0.13 0.00 0.00 0.00 0.00 51.96 50.37 1okd s ALA 37 Cb 0.03 0.56 0.37 0.00 0.00 0.00 0.00 23.12 24.08 1okd s ALA 37 CO -0.02 -0.27 1.60 0.66 0.00 0.00 0.00 175.76 177.73 1okd h SER 38 N 2.32 0.00 -0.10 0.00 4.64 -1.90 -2.93 113.55 115.58 1okd h SER 38 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1okd h SER 38 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1okd h SER 38 CO 0.66 0.57 0.00 -2.67 -0.87 0.00 0.00 176.83 174.52 1okd n TRP 39 N -3.60 0.12 -1.41 4.77 4.27 -1.26 -4.90 117.44 115.43 1okd n TRP 39 Ca -0.00 -0.06 -0.36 0.00 -3.89 0.00 0.00 57.50 53.19 1okd n TRP 39 Cb 0.63 0.00 0.08 0.00 -1.36 0.00 0.00 31.31 30.66 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 -0.11 -0.02 0.01 0.00 0.11 -1.92 -3.33 132.00 126.74 1okd h PRO 41 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1okd h PRO 41 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1okd h PRO 41 CO 0.47 -0.01 -0.00 -1.35 -0.21 0.00 0.00 178.00 176.89 1okd h PRO 42 N -0.02 -0.01 -4.77 1.05 0.11 -1.96 -3.46 132.00 122.94 1okd h PRO 42 Ca 0.10 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.10 1okd h PRO 42 Cb 0.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 1okd h PRO 42 CO -0.22 -0.01 -0.16 0.00 -0.21 0.00 0.00 178.00 177.40 1okd n ARG 44 N -2.71 0.30 0.10 0.00 3.00 -1.26 -4.99 116.66 111.09 1okd n ARG 44 Ca -0.04 -0.49 0.00 0.00 -0.00 0.00 0.00 57.85 57.32 1okd n ARG 44 Cb 0.53 0.35 0.00 0.00 0.00 0.00 0.00 32.46 33.34 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 -0.34 -0.69 0.15 5.14 0.00 -1.26 -4.92 105.19 103.27 1okd n GLY 45 Ca -0.10 0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 1okd n GLY 45 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1okd h PHE 46 N 0.00 0.00 0.52 1.61 3.04 -1.96 -3.11 116.94 117.05 1okd h PHE 46 Ca 0.00 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1okd h PHE 46 Cb 0.00 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.49 1okd h PHE 46 CO 0.00 0.57 -0.48 1.15 -2.02 0.00 0.00 178.31 177.53 1okd h THR 47 N 0.00 0.00 0.00 4.41 2.02 -1.94 -2.00 112.91 115.40 1okd h THR 47 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1okd h THR 47 Cb 1.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1okd h THR 47 CO 0.07 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.15 1okd n PRO 48 N -5.37 0.03 0.07 6.66 -0.04 -1.24 -2.62 135.00 132.48 1okd n PRO 48 Ca -0.12 0.27 -0.21 0.00 -0.04 0.00 0.00 63.50 63.40 1okd n PRO 48 Cb 0.45 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.28 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 0.00 0.59 -0.29 0.54 7.50 -1.30 -3.17 115.11 118.98 1okd h GLN 49 Ca 0.00 -0.74 0.05 0.00 0.50 0.00 0.00 58.65 58.45 1okd h GLN 49 Cb 0.20 0.24 -0.04 0.00 0.05 0.00 0.00 27.48 27.92 1okd h GLN 49 CO 0.00 1.32 0.03 1.25 -1.50 0.00 0.00 178.83 179.93 1okd h LEU 50 N 0.20 -0.05 -0.62 1.46 7.12 -1.22 -0.85 115.31 121.35 1okd h LEU 50 Ca -0.16 0.06 0.07 0.00 0.13 0.00 0.00 57.88 57.98 1okd h LEU 50 Cb 1.77 0.09 -0.06 0.00 -0.53 0.00 0.00 40.66 41.93 1okd h LEU 50 CO 0.21 0.01 0.30 0.40 -0.13 0.00 0.00 178.44 179.23 1okd h ILE 51 N 0.12 0.89 0.10 4.05 2.04 -1.66 0.43 117.51 123.49 1okd h ILE 51 Ca 0.14 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1okd h ILE 51 Cb 0.17 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1okd h ILE 51 CO -0.21 0.10 -0.05 -0.08 0.00 0.00 0.00 178.15 177.91 1okd h GLU 52 N 0.55 -0.13 -0.04 2.37 4.57 -1.41 0.98 114.58 121.47 1okd h GLU 52 Ca 0.29 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.44 1okd h GLU 52 Cb 0.27 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1okd h GLU 52 CO -0.23 0.21 -0.16 0.35 -1.18 0.00 0.00 179.01 178.01 1okd h PHE 53 N -0.49 0.06 0.00 0.92 3.57 -0.97 -0.42 116.94 119.62 1okd h PHE 53 Ca -0.01 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1okd h PHE 53 Cb 0.40 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 1okd h PHE 53 CO 0.04 0.22 -0.15 -0.92 -2.23 0.00 0.00 178.31 175.27 1okd h TYR 54 N 0.06 0.00 -0.12 0.41 3.20 -0.02 -3.06 116.97 117.45 1okd h TYR 54 Ca 0.01 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.92 1okd h TYR 54 Cb 0.32 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 1okd h TYR 54 CO 0.00 0.08 0.12 -0.44 -1.64 0.00 0.00 178.16 176.28 1okd h ASP 55 N -1.00 0.00 0.47 -2.11 5.19 0.97 1.45 116.42 121.39 1okd h ASP 55 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1okd h ASP 55 Cb 0.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.71 1okd h ASP 55 CO -0.00 0.00 -0.68 0.29 -3.12 0.00 0.00 179.24 175.73 1okd n LYS 56 N -3.97 0.09 0.00 3.56 4.76 -0.17 -4.41 118.16 118.02 1okd n LYS 56 Ca -0.00 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1okd n LYS 56 Cb 0.23 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 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 -1.66 0.00 -0.04 2.13 3.72 -0.55 -4.88 117.46 116.17 1okd n PHE 57 Ca 0.04 -0.02 -0.09 0.00 -0.05 0.00 0.00 57.45 57.34 1okd n PHE 57 Cb 0.37 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.88 1okd n PHE 57 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 176.76 177.83 1okd h HIS 58 N 0.00 0.05 0.09 1.38 2.07 0.17 0.22 115.15 119.14 1okd h HIS 58 Ca 0.00 0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.53 1okd h HIS 58 Cb 0.60 0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.58 1okd h HIS 58 CO 0.00 0.01 -0.05 1.05 -3.07 0.00 0.00 177.93 175.88 1okd h GLU 59 N 0.11 -0.12 0.01 5.12 4.11 -1.88 0.52 114.58 122.45 1okd h GLU 59 Ca 0.10 0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.53 1okd h GLU 59 Cb 0.10 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1okd h GLU 59 CO -0.13 -0.08 -0.00 0.77 0.07 0.00 0.00 179.01 179.63 1okd h SER 60 N -0.13 -0.01 0.00 3.06 0.02 -1.87 -3.23 113.55 111.40 1okd h SER 60 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1okd h SER 60 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1okd h SER 60 CO 0.02 -0.00 0.07 0.11 -1.14 0.00 0.00 176.83 175.88 1okd h LYS 61 N -0.01 0.00 -6.20 3.45 1.79 -0.67 -3.46 116.57 111.46 1okd h LYS 61 Ca -0.00 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.17 1okd h LYS 61 Cb 0.01 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.66 1okd h LYS 61 CO 0.00 0.00 -0.67 -1.71 -1.08 0.00 0.00 179.45 175.99 1okd n ASN 62 N -2.97 -5.98 -4.09 0.86 2.85 0.18 -4.96 115.26 101.15 1okd n ASN 62 Ca -0.03 -0.64 -0.12 0.00 -0.11 0.00 0.00 54.58 53.68 1okd n ASN 62 Cb 0.13 -3.16 -0.09 0.00 1.24 0.00 0.00 39.78 37.90 1okd n ASN 62 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 1okd s PHE 63 N -3.04 1.07 -0.01 1.20 -0.71 -1.20 -4.50 117.98 110.80 1okd s PHE 63 Ca 0.04 -1.29 0.01 0.00 -1.04 0.00 0.00 56.93 54.65 1okd s PHE 63 Cb -0.02 -0.44 0.00 0.00 -1.21 0.00 0.00 43.02 41.36 1okd s PHE 63 CO 0.84 -0.72 -0.02 -2.00 -1.34 0.00 0.00 175.22 171.97 1okd s GLU 64 N -4.06 0.26 -0.21 1.99 2.56 -1.19 -4.83 118.70 113.22 1okd s GLU 64 Ca 0.36 -0.07 -0.06 0.00 0.00 0.00 0.00 54.97 55.21 1okd s GLU 64 Cb 0.05 -0.29 -0.03 0.00 2.00 0.00 0.00 34.13 35.86 1okd s GLU 64 CO 0.13 0.02 0.03 0.08 -0.56 0.00 0.00 175.26 174.96 1okd s VAL 65 N 0.18 4.26 -0.13 3.70 1.01 -1.26 -1.04 120.40 127.11 1okd s VAL 65 Ca -0.02 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 1okd s VAL 65 Cb -0.04 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1okd s VAL 65 CO -0.00 0.41 0.04 -0.69 0.00 0.00 0.00 175.10 174.86 1okd s VAL 66 N 1.01 4.63 0.35 2.92 1.01 0.02 -1.84 120.40 128.50 1okd s VAL 66 Ca 0.03 -0.11 -0.26 0.00 0.00 0.00 0.00 61.98 61.64 1okd s VAL 66 Cb -0.14 -3.02 -0.10 0.00 0.00 0.00 0.00 36.38 33.12 1okd s VAL 66 CO 0.02 0.54 0.99 0.12 0.00 0.00 0.00 175.10 176.78 1okd s PHE 67 N -0.31 3.53 -0.26 5.22 5.36 0.34 -2.14 117.98 129.72 1okd s PHE 67 Ca 0.08 1.73 -0.02 0.00 -0.96 0.00 0.00 56.93 57.75 1okd s PHE 67 Cb -0.12 -3.02 0.08 0.00 -0.34 0.00 0.00 43.02 39.62 1okd s PHE 67 CO 0.02 -0.14 0.07 0.00 -1.46 0.00 0.00 175.22 173.71 1okd s THR 69 N 1.78 4.54 -0.22 0.00 -1.32 -1.25 -0.70 115.64 118.47 1okd s THR 69 Ca 0.05 0.98 0.21 0.00 -1.21 0.00 0.00 61.69 61.72 1okd s THR 69 Cb -0.17 -3.75 0.47 0.00 -1.51 0.00 0.00 72.50 67.53 1okd s THR 69 CO -0.19 -0.93 1.18 0.79 -2.21 0.00 0.00 174.62 173.26 1okd n TRP 70 N -2.33 0.54 -4.03 9.09 7.02 0.33 -4.65 117.44 123.41 1okd n TRP 70 Ca 0.06 -1.77 -0.22 0.00 -1.02 0.00 0.00 57.50 54.55 1okd n TRP 70 Cb 0.54 0.07 -0.05 0.00 -2.42 0.00 0.00 31.31 29.45 1okd n TRP 70 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1okd s ASP 71 N -3.05 5.00 -0.02 -0.99 2.15 -1.26 -4.55 116.67 113.95 1okd s ASP 71 Ca 0.25 -0.59 0.17 0.00 0.43 0.00 0.00 52.55 52.81 1okd s ASP 71 Cb 0.34 -0.93 -0.25 0.00 -0.30 0.00 0.00 42.92 41.78 1okd s ASP 71 CO -0.07 -0.24 0.41 1.21 -0.17 0.00 0.00 175.17 176.31 1okd n GLU 72 N -1.20 0.64 -3.72 4.34 2.13 -1.26 -4.90 120.64 116.68 1okd n GLU 72 Ca -0.04 -0.14 -0.37 0.00 0.66 0.00 0.00 57.16 57.27 1okd n GLU 72 Cb 0.60 -1.39 -0.12 0.00 0.27 0.00 0.00 31.44 30.80 1okd n GLU 72 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1okd s GLU 73 N -3.10 3.38 0.23 5.31 2.12 -1.26 -4.98 118.70 120.39 1okd s GLU 73 Ca -0.05 -0.67 -0.06 0.00 0.36 0.00 0.00 54.97 54.55 1okd s GLU 73 Cb 0.11 -3.43 0.38 0.00 0.26 0.00 0.00 34.13 31.45 1okd s GLU 73 CO 0.70 -0.34 1.75 1.05 -0.54 0.00 0.00 175.26 177.88 1okd h GLU 74 N 8.28 0.46 -0.20 4.30 4.11 -2.00 0.10 114.58 129.64 1okd h GLU 74 Ca -0.34 -0.03 0.06 0.00 0.07 0.00 0.00 59.36 59.12 1okd h GLU 74 Cb 1.15 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1okd h GLU 74 CO 0.60 0.31 0.27 -0.44 0.07 0.00 0.00 179.01 179.81 1okd h ASP 75 N 0.48 0.00 0.12 3.06 3.32 -1.97 0.63 116.42 122.06 1okd h ASP 75 Ca 0.37 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 1okd h ASP 75 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1okd h ASP 75 CO -0.34 0.00 -0.06 1.23 -1.72 0.00 0.00 179.24 178.35 1okd h GLY 76 N 0.00 -0.17 2.00 2.75 0.00 -1.21 -3.22 103.07 103.22 1okd h GLY 76 Ca 0.10 0.06 -0.15 0.00 0.00 0.00 0.00 47.33 47.34 1okd h GLY 76 CO -0.00 -0.06 -0.69 -2.75 0.00 0.00 0.00 176.54 173.03 1okd h PHE 77 N -0.98 0.00 0.38 5.60 3.57 -1.41 -3.09 116.94 121.02 1okd h PHE 77 Ca -0.02 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1okd h PHE 77 Cb 0.42 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1okd h PHE 77 CO 0.08 0.69 -0.18 0.00 -2.23 0.00 0.00 178.31 176.67 1okd h ALA 78 N 1.31 -0.51 0.00 2.41 0.00 0.12 -0.69 119.26 121.89 1okd h ALA 78 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1okd h ALA 78 Cb 1.48 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1okd h ALA 78 CO 0.09 -0.74 0.00 0.41 0.00 0.00 0.00 179.25 179.01 1okd n GLY 79 N -1.04 -1.20 0.22 0.00 0.00 -1.22 -2.18 105.19 99.77 1okd n GLY 79 Ca -0.11 0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 1okd n GLY 79 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1okd h TYR 80 N 0.00 1.04 0.00 1.61 3.20 -1.14 -3.18 116.97 118.50 1okd h TYR 80 Ca 0.00 -0.47 0.00 0.00 3.14 0.00 0.00 58.73 61.40 1okd h TYR 80 Cb 0.30 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1okd h TYR 80 CO 0.00 1.31 0.00 1.97 -1.64 0.00 0.00 178.16 179.80 1okd n PHE 81 N -3.91 0.54 -0.34 -3.82 1.16 -0.39 -3.94 117.46 106.76 1okd n PHE 81 Ca -0.08 0.16 0.21 0.00 -1.87 0.00 0.00 57.45 55.88 1okd n PHE 81 Cb 0.77 -0.76 0.44 0.00 -1.61 0.00 0.00 39.48 38.31 1okd n PHE 81 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1okd h ALA 82 N 2.69 1.87 -1.26 1.98 0.00 -1.51 -1.74 119.26 121.29 1okd h ALA 82 Ca 0.00 0.17 -0.62 0.00 0.00 0.00 0.00 54.91 54.46 1okd h ALA 82 Cb 0.61 0.12 -0.39 0.00 0.00 0.00 0.00 17.79 18.13 1okd h ALA 82 CO 0.00 -0.47 -0.36 0.36 0.00 0.00 0.00 179.25 178.77 1okd n LYS 83 N -5.01 3.31 -4.12 0.00 2.85 -1.25 -4.86 118.16 109.08 1okd n LYS 83 Ca 0.30 -4.22 -0.33 0.00 -1.05 0.00 0.00 58.31 53.00 1okd n LYS 83 Cb 0.90 -2.26 -0.15 0.00 -0.65 0.00 0.00 35.03 32.86 1okd n LYS 83 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1okd s MET 84 N -3.66 3.10 0.08 -1.58 0.23 -0.66 -5.00 119.30 111.82 1okd s MET 84 Ca 0.50 -0.78 -0.04 0.00 -1.03 0.00 0.00 55.69 54.34 1okd s MET 84 Cb 0.41 -2.67 -0.28 0.00 -1.53 0.00 0.00 34.83 30.76 1okd s MET 84 CO -0.18 -0.18 1.14 -1.00 -2.03 0.00 0.00 175.02 172.77 1okd h PRO 85 N 7.91 0.27 -7.24 3.16 0.13 -1.90 -3.39 132.00 130.94 1okd h PRO 85 Ca -0.43 -0.46 -0.49 0.00 -0.87 0.00 0.00 66.00 63.74 1okd h PRO 85 Cb 1.15 0.17 0.19 0.00 0.13 0.00 0.00 31.00 32.64 1okd h PRO 85 CO 0.62 1.22 0.17 1.67 -0.23 0.00 0.00 178.00 181.45 1okd s TRP 86 N -2.66 1.65 0.34 1.56 -2.14 -1.26 -4.71 118.94 111.72 1okd s TRP 86 Ca -0.04 1.58 -0.18 0.00 2.66 0.00 0.00 56.10 60.12 1okd s TRP 86 Cb 0.07 -3.24 -0.10 0.00 -3.10 0.00 0.00 33.47 27.10 1okd s TRP 86 CO 0.88 -3.01 0.82 -0.51 -2.66 0.00 0.00 176.95 172.47 1okd s LEU 87 N -6.71 4.09 0.02 -4.66 1.43 -0.77 -4.51 118.68 107.57 1okd s LEU 87 Ca 0.67 1.48 -0.00 0.00 -1.03 0.00 0.00 54.13 55.24 1okd s LEU 87 Cb -0.23 -4.15 -0.02 0.00 0.03 0.00 0.00 46.19 41.83 1okd s LEU 87 CO 0.60 -0.21 -0.02 0.00 0.23 0.00 0.00 176.35 176.95 1okd s ALA 88 N -1.95 0.09 0.02 4.21 0.00 0.31 0.13 121.76 124.57 1okd s ALA 88 Ca 0.55 -0.52 -0.30 0.00 0.00 0.00 0.00 51.96 51.69 1okd s ALA 88 Cb -0.11 0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 1okd s ALA 88 CO 0.17 -0.15 1.18 0.08 0.00 0.00 0.00 175.76 177.04 1okd s VAL 89 N -1.34 4.19 0.56 0.00 1.01 -1.24 0.15 120.40 123.74 1okd s VAL 89 Ca -0.15 1.56 -0.21 0.00 0.00 0.00 0.00 61.98 63.18 1okd s VAL 89 Cb -0.09 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 1okd s VAL 89 CO -0.01 0.08 1.20 -0.81 0.00 0.00 0.00 175.10 175.56 1okd n PRO 90 N 4.35 1.36 -0.33 2.72 -0.04 -1.26 -4.73 135.00 137.06 1okd n PRO 90 Ca 0.09 0.51 0.34 0.00 -0.04 0.00 0.00 63.50 64.40 1okd n PRO 90 Cb 0.47 -2.39 0.71 0.00 -0.04 0.00 0.00 33.50 32.25 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 1.07 0.13 -0.88 0.54 3.57 -1.99 0.22 116.94 119.61 1okd h PHE 91 Ca -0.49 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.14 1okd h PHE 91 Cb 1.33 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.96 1okd h PHE 91 CO 0.42 0.00 0.57 0.00 -2.23 0.00 0.00 178.31 177.07 1okd h ALA 92 N 1.44 1.81 -0.25 2.41 0.00 -2.01 -1.91 119.26 120.75 1okd h ALA 92 Ca 0.59 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.44 1okd h ALA 92 Cb 2.18 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.79 1okd h ALA 92 CO -0.07 -0.04 -0.05 1.04 0.00 0.00 0.00 179.25 180.13 1okd n GLN 93 N -4.55 2.20 0.26 0.00 1.13 0.76 -4.64 117.38 112.53 1okd n GLN 93 Ca 0.17 -2.96 0.10 0.00 -1.94 0.00 0.00 57.00 52.37 1okd n GLN 93 Cb 0.44 -1.77 0.68 0.00 0.11 0.00 0.00 30.24 29.69 1okd n GLN 93 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 1okd h SER 94 N 1.18 0.00 -0.67 1.08 0.02 -1.04 -1.45 113.55 112.68 1okd h SER 94 Ca 0.09 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.21 1okd h SER 94 Cb 1.44 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.95 1okd h SER 94 CO 0.25 0.07 0.47 -0.08 -1.14 0.00 0.00 176.83 176.40 1okd h GLU 95 N 0.00 0.13 -0.94 3.45 4.81 -1.82 0.17 114.58 120.38 1okd h GLU 95 Ca -0.00 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1okd h GLU 95 Cb 0.15 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.44 1okd h GLU 95 CO 0.01 0.08 0.61 0.00 -0.73 0.00 0.00 179.01 178.98 1okd h ALA 96 N 1.68 1.44 -0.51 2.92 0.00 -1.57 -1.42 119.26 121.80 1okd h ALA 96 Ca 0.32 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.26 1okd h ALA 96 Cb 1.09 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1okd h ALA 96 CO -0.04 0.44 0.34 0.28 0.00 0.00 0.00 179.25 180.27 1okd h VAL 97 N 1.13 0.96 -0.14 0.00 2.07 -0.81 1.57 116.25 121.03 1okd h VAL 97 Ca 0.39 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.68 1okd h VAL 97 Cb 0.10 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1okd h VAL 97 CO -0.13 0.08 -0.22 1.56 0.02 0.00 0.00 177.57 178.87 1okd h GLN 98 N 0.43 0.39 0.16 1.57 4.20 -1.30 0.02 115.11 120.57 1okd h GLN 98 Ca 0.22 -0.24 -0.30 0.00 0.06 0.00 0.00 58.65 58.40 1okd h GLN 98 Cb 0.33 0.02 0.02 0.00 0.30 0.00 0.00 27.48 28.16 1okd h GLN 98 CO -0.06 0.83 -1.29 0.87 -0.67 0.00 0.00 178.83 178.51 1okd h LYS 99 N -0.00 0.45 -0.05 1.46 1.79 -1.19 -2.96 116.57 116.06 1okd h LYS 99 Ca 0.01 -0.69 -0.11 0.00 -2.18 0.00 0.00 60.65 57.68 1okd h LYS 99 Cb 0.79 0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 31.68 1okd h LYS 99 CO 0.05 1.32 -0.46 1.25 -1.08 0.00 0.00 179.45 180.53 1okd h LEU 100 N 0.16 0.13 0.01 2.94 5.85 0.22 -1.98 115.31 122.62 1okd h LEU 100 Ca -0.18 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1okd h LEU 100 Cb 1.99 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.98 1okd h LEU 100 CO 0.23 0.57 -0.00 0.28 -0.34 0.00 0.00 178.44 179.18 1okd h SER 101 N 0.10 -0.01 0.16 1.25 0.02 -1.03 -2.83 113.55 111.22 1okd h SER 101 Ca 0.00 -0.47 -0.04 0.00 -0.84 0.00 0.00 61.79 60.45 1okd h SER 101 Cb 0.85 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 1okd h SER 101 CO 0.06 0.46 -0.17 0.50 -1.14 0.00 0.00 176.83 176.55 1okd h LYS 102 N -0.48 0.01 0.00 3.45 3.64 -1.49 -1.82 116.57 119.88 1okd h LYS 102 Ca -0.00 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1okd h LYS 102 Cb 0.47 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1okd h LYS 102 CO 0.00 0.18 -0.37 0.45 -2.27 0.00 0.00 179.45 177.45 1okd h HIS 103 N 0.01 0.00 -0.40 1.91 3.86 -1.29 -2.39 115.15 116.85 1okd h HIS 103 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1okd h HIS 103 Cb 0.31 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1okd h HIS 103 CO 0.00 0.37 0.00 1.19 0.86 0.00 0.00 177.93 180.35 1okd n PHE 104 N -3.93 0.93 -2.93 2.45 3.01 -0.71 -4.90 117.46 111.37 1okd n PHE 104 Ca -0.02 -0.37 -0.19 0.00 1.01 0.00 0.00 57.45 57.88 1okd n PHE 104 Cb 0.42 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 1okd n PHE 104 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1okd n ASN 105 N 0.60 -4.41 -4.52 4.37 5.15 -0.90 -4.79 115.26 110.76 1okd n ASN 105 Ca 0.16 -0.15 -0.42 0.00 -0.60 0.00 0.00 54.58 53.57 1okd n ASN 105 Cb 0.60 -3.65 -0.06 0.00 -0.53 0.00 0.00 39.78 36.13 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 -3.88 0.05 -0.13 3.44 0.31 -1.05 -4.81 118.33 112.26 1okd n VAL 106 Ca -0.09 -0.46 -0.04 0.00 -0.01 0.00 0.00 64.34 63.73 1okd n VAL 106 Cb 0.59 -2.02 0.04 0.00 -0.91 0.00 0.00 33.84 31.54 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 15.69 0.22 0.00 5.55 5.08 -1.92 -3.46 114.58 135.74 1okd h GLU 107 Ca -0.23 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1okd h GLU 107 Cb 1.29 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1okd h GLU 107 CO 1.14 0.15 0.00 -1.13 -1.00 0.00 0.00 179.01 178.17 1okd n SER 108 N -5.09 0.00 -4.87 1.42 3.41 -1.26 -5.17 113.62 102.06 1okd n SER 108 Ca 0.04 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.34 1okd n SER 108 Cb 0.20 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 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 4.72 0.09 -1.33 -4.36 -1.26 -4.03 121.20 113.02 1okd s ILE 109 Ca 0.00 0.79 -0.25 0.00 -0.26 0.00 0.00 60.65 60.93 1okd s ILE 109 Cb 0.00 -3.73 -0.06 0.00 1.25 0.00 0.00 42.46 39.92 1okd s ILE 109 CO 0.00 -0.56 0.78 -2.16 0.24 0.00 0.00 174.94 173.24 1okd s PRO 110 N -3.89 4.53 0.36 0.37 0.04 -1.26 -5.04 135.00 130.10 1okd s PRO 110 Ca 0.53 1.11 0.03 0.00 0.04 0.00 0.00 61.00 62.72 1okd s PRO 110 Cb -0.10 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1okd s PRO 110 CO 0.31 0.38 0.10 -0.08 0.04 0.00 0.00 177.00 177.75 1okd s THR 111 N -0.43 0.80 -0.12 1.26 -1.32 -0.93 -4.99 115.64 109.90 1okd s THR 111 Ca 0.38 -2.00 -0.06 0.00 -1.21 0.00 0.00 61.69 58.80 1okd s THR 111 Cb -0.22 -2.53 0.05 0.00 -1.51 0.00 0.00 72.50 68.30 1okd s THR 111 CO 0.24 0.00 0.27 -0.22 -2.21 0.00 0.00 174.62 172.71 1okd s LEU 112 N -3.54 0.20 0.01 9.08 2.96 -1.26 -2.44 118.68 123.69 1okd s LEU 112 Ca 0.29 0.59 0.02 0.00 -0.22 0.00 0.00 54.13 54.81 1okd s LEU 112 Cb 0.05 0.81 -0.01 0.00 0.50 0.00 0.00 46.19 47.55 1okd s LEU 112 CO 0.15 -0.18 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.31 1okd s ILE 113 N 1.52 0.43 -0.03 6.68 1.01 -0.88 0.12 121.20 130.05 1okd s ILE 113 Ca -0.07 -0.41 0.07 0.00 0.00 0.00 0.00 60.65 60.24 1okd s ILE 113 Cb -0.10 -0.40 -0.02 0.00 0.01 0.00 0.00 42.46 41.95 1okd s ILE 113 CO -0.09 0.00 -0.24 -0.83 0.00 0.00 0.00 174.94 173.78 1okd s GLY 114 N -0.45 1.32 0.17 6.18 0.00 -1.25 0.11 107.32 113.41 1okd s GLY 114 Ca -0.01 -1.09 0.03 0.00 0.00 0.00 0.00 44.72 43.65 1okd s GLY 114 CO -0.00 -0.89 -0.03 -1.34 0.00 0.00 0.00 173.10 170.84 1okd s VAL 115 N -0.62 0.89 -0.36 1.40 -7.23 -0.66 -1.25 120.40 112.56 1okd s VAL 115 Ca 0.10 -2.01 -0.11 0.00 -1.81 0.00 0.00 61.98 58.15 1okd s VAL 115 Cb -0.10 -2.06 0.02 0.00 0.56 0.00 0.00 36.38 34.79 1okd s VAL 115 CO -0.01 -0.55 0.21 1.51 -0.31 0.00 0.00 175.10 175.95 1okd s ASP 116 N -3.19 5.76 0.16 4.85 1.47 -1.00 -0.70 116.67 124.02 1okd s ASP 116 Ca 0.22 -0.84 -0.13 0.00 1.18 0.00 0.00 52.55 52.98 1okd s ASP 116 Cb 0.05 -2.04 0.05 0.00 -0.34 0.00 0.00 42.92 40.64 1okd s ASP 116 CO 0.03 -0.34 1.70 0.00 0.68 0.00 0.00 175.17 177.24 1okd h ALA 117 N 8.44 0.71 0.40 2.11 0.00 -1.84 0.37 119.26 129.45 1okd h ALA 117 Ca -0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1okd h ALA 117 Cb 1.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1okd h ALA 117 CO 0.66 0.35 -0.35 0.22 0.00 0.00 0.00 179.25 180.13 1okd h ASP 118 N 0.75 -0.95 -0.44 0.00 1.82 -1.89 -2.32 116.42 113.38 1okd h ASP 118 Ca 0.18 0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.85 1okd h ASP 118 Cb 0.25 0.31 -0.02 0.00 0.68 0.00 0.00 39.33 40.55 1okd h ASP 118 CO -0.01 -0.48 0.12 -1.28 -1.61 0.00 0.00 179.24 175.98 1okd h SER 119 N -0.74 0.65 -1.95 2.28 0.87 -1.97 -3.42 113.55 109.26 1okd h SER 119 Ca -0.05 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1okd h SER 119 Cb 0.63 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1okd h SER 119 CO -0.02 0.69 0.00 0.61 -0.53 0.00 0.00 176.83 177.59 1okd n GLY 120 N -0.63 0.14 3.61 5.77 0.00 0.13 -4.80 105.19 109.41 1okd n GLY 120 Ca 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 46.02 45.63 1okd n GLY 120 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1okd s ASP 121 N -2.04 -0.03 -0.42 1.61 2.15 -1.18 -4.88 116.67 111.88 1okd s ASP 121 Ca 0.00 -0.01 -0.25 0.00 0.43 0.00 0.00 52.55 52.72 1okd s ASP 121 Cb 0.00 0.04 0.02 0.00 -0.30 0.00 0.00 42.92 42.68 1okd s ASP 121 CO 0.00 -0.06 0.88 -0.69 -0.17 0.00 0.00 175.17 175.13 1okd s VAL 122 N -2.10 4.56 -0.14 1.11 1.01 -1.26 -2.38 120.40 121.20 1okd s VAL 122 Ca 0.13 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1okd s VAL 122 Cb 0.02 -4.36 -0.24 0.00 0.00 0.00 0.00 36.38 31.80 1okd s VAL 122 CO -0.04 -0.69 0.30 0.52 0.00 0.00 0.00 175.10 175.18 1okd n VAL 123 N 6.19 1.67 -4.35 2.92 0.31 -1.21 -4.96 118.33 118.90 1okd n VAL 123 Ca 0.05 -0.68 -0.26 0.00 -0.01 0.00 0.00 64.34 63.44 1okd n VAL 123 Cb 0.48 -1.45 -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 -2.55 2.86 -0.33 2.52 -4.23 -0.38 -3.28 115.64 110.25 1okd s THR 124 Ca -0.20 -1.88 0.14 0.00 -1.18 0.00 0.00 61.69 58.58 1okd s THR 124 Cb 0.07 -2.42 0.43 0.00 1.34 0.00 0.00 72.50 71.92 1okd s THR 124 CO 0.75 -0.16 1.45 0.35 -0.54 0.00 0.00 174.62 176.47 1okd n THR 125 N -0.02 0.23 -2.32 3.99 -2.24 -1.26 -3.86 114.28 108.79 1okd n THR 125 Ca -0.10 -1.40 -0.01 0.00 -2.27 0.00 0.00 64.05 60.27 1okd n THR 125 Cb 0.56 1.04 0.02 0.00 -2.10 0.00 0.00 70.33 69.86 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 -1.29 0.32 0.00 -0.78 -4.01 -1.24 -4.87 116.66 104.78 1okd n ARG 126 Ca -0.12 -0.36 0.10 0.00 -1.04 0.00 0.00 57.85 56.42 1okd n ARG 126 Cb 0.86 0.23 0.52 0.00 -3.04 0.00 0.00 32.46 31.03 1okd n ARG 126 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1okd n ALA 127 N -0.36 2.08 -0.33 2.89 0.00 0.31 -3.24 120.51 121.86 1okd n ALA 127 Ca -0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.24 1okd n ALA 127 Cb 0.56 -1.33 0.09 0.00 0.00 0.00 0.00 19.45 18.77 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 1.21 0.00 0.00 0.11 -1.79 -2.28 114.38 111.63 1okd h ARG 128 Ca 0.00 -0.10 -0.03 0.00 0.10 0.00 0.00 59.98 59.95 1okd h ARG 128 Cb 0.17 -0.26 -0.00 0.00 1.11 0.00 0.00 29.97 30.99 1okd h ARG 128 CO 0.00 0.83 -0.37 0.00 0.10 0.00 0.00 179.97 180.53 1okd h ALA 129 N 1.31 0.04 -0.51 0.08 0.00 -1.89 -3.38 119.26 114.91 1okd h ALA 129 Ca 0.32 -0.42 0.10 0.00 0.00 0.00 0.00 54.91 54.92 1okd h ALA 129 Cb -0.08 0.30 -0.10 0.00 0.00 0.00 0.00 17.79 17.91 1okd h ALA 129 CO -0.06 0.30 -0.17 1.79 0.00 0.00 0.00 179.25 181.10 1okd h THR 130 N -1.00 0.42 -0.85 0.00 1.35 -1.64 0.99 112.91 112.17 1okd h THR 130 Ca -0.05 0.00 0.21 0.00 -0.55 0.00 0.00 66.41 66.02 1okd h THR 130 Cb 0.49 0.42 -0.05 0.00 -1.73 0.00 0.00 68.15 67.28 1okd h THR 130 CO -0.03 0.00 0.58 0.25 -0.25 0.00 0.00 175.52 176.07 1okd h LEU 131 N -0.05 0.26 0.11 3.87 6.46 -1.62 1.26 115.31 125.59 1okd h LEU 131 Ca 0.24 0.03 -0.35 0.00 -0.12 0.00 0.00 57.88 57.68 1okd h LEU 131 Cb 0.42 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 1okd h LEU 131 CO -0.55 0.11 -1.93 0.58 -0.62 0.00 0.00 178.44 176.03 1okd h VAL 132 N 0.27 0.69 -0.56 1.05 2.07 -1.03 -3.38 116.25 115.35 1okd h VAL 132 Ca 0.43 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.53 1okd h VAL 132 Cb 1.26 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 1okd h VAL 132 CO -0.11 0.83 0.00 0.29 0.02 0.00 0.00 177.57 178.60 1okd n LYS 133 N -3.41 4.63 -3.66 1.57 4.76 0.32 -4.69 118.16 117.67 1okd n LYS 133 Ca -0.29 -3.11 -0.27 0.00 -2.87 0.00 0.00 58.31 51.77 1okd n LYS 133 Cb 1.05 -2.19 -0.11 0.00 -1.84 0.00 0.00 35.03 31.94 1okd n LYS 133 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1okd n ASP 134 N 0.59 1.72 -0.11 4.39 9.92 0.42 -4.88 116.55 128.61 1okd n ASP 134 Ca 0.27 -2.91 0.07 0.00 -0.53 0.00 0.00 54.79 51.69 1okd n ASP 134 Cb 1.14 -0.68 0.36 0.00 -0.64 0.00 0.00 41.12 41.31 1okd n ASP 134 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1okd n PRO 135 N 2.18 1.14 -0.02 -0.24 -0.04 -1.26 -3.48 135.00 133.27 1okd n PRO 135 Ca 0.24 -0.21 -0.01 0.00 -0.04 0.00 0.00 63.50 63.48 1okd n PRO 135 Cb 0.41 -1.23 -0.05 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.50 2.01 -1.71 0.54 1.02 -1.26 -5.00 120.64 115.74 1okd n GLU 136 Ca 0.10 -0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 57.02 1okd n GLU 136 Cb 0.09 -1.16 -0.07 0.00 -0.02 0.00 0.00 31.44 30.27 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 2.43 1.56 0.16 0.62 0.00 -1.23 -4.82 105.19 103.92 1okd n GLY 137 Ca -0.07 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.50 0.16 -0.37 1.61 0.28 -1.26 -1.87 120.64 116.69 1okd n GLU 138 Ca -0.21 0.59 0.03 0.00 -0.16 0.00 0.00 57.16 57.41 1okd n GLU 138 Cb 0.67 -1.95 0.04 0.00 1.43 0.00 0.00 31.44 31.63 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 -2.27 0.39 0.00 3.44 6.02 -1.26 -4.97 117.38 118.73 1okd n GLN 139 Ca -0.01 -1.49 0.00 0.00 -0.01 0.00 0.00 57.00 55.50 1okd n GLN 139 Cb 0.08 -0.81 0.00 0.00 1.02 0.00 0.00 30.24 30.53 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 -0.44 0.00 0.00 1.08 -0.00 -0.78 0.47 117.46 117.79 1okd n PHE 140 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 1okd n PHE 140 Cb 0.68 -0.48 0.00 0.00 -0.00 0.00 0.00 39.48 39.68 1okd n PHE 140 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1okd n PRO 141 N -3.85 0.00 -1.50 -7.13 -0.04 -1.26 -4.77 135.00 116.44 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 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 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 -0.77 0.00 -0.67 0.54 8.01 1.71 -4.40 117.44 121.85 1okd n TRP 142 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1okd n TRP 142 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 1okd n TRP 142 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1okd n LYS 143 N -0.35 -0.38 0.00 -0.99 4.01 -1.26 -4.19 118.16 115.01 1okd n LYS 143 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1okd n LYS 143 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1okd n LYS 143 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1okd n ASP 144 N -2.72 0.00 0.04 4.39 5.75 -1.20 -4.90 116.55 117.90 1okd n ASP 144 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1okd n ASP 144 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1okd n ASP 144 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1okd n ALA 145 N 0.41 1.91 -1.00 2.12 0.00 -1.26 -5.05 120.51 117.64 1okd n ALA 145 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1okd n ALA 145 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1okd n ALA 145 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1okd n PRO 146 N -2.71 -0.44 0.00 0.00 -0.04 -1.26 -5.04 135.00 125.51 1okd n PRO 146 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1okd n PRO 146 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1okd n PRO 146 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1okd n LEU 147 N 0.00 1.50 -0.66 1.53 4.32 -1.26 -4.85 117.00 117.58 1okd n LEU 147 Ca 0.00 0.28 -0.00 0.00 -0.02 0.00 0.00 56.01 56.27 1okd n LEU 147 Cb 0.00 -0.08 -0.00 0.00 -1.62 0.00 0.00 43.42 41.71 1okd n LEU 147 CO 0.00 -0.08 0.24 -1.84 -1.22 0.00 0.00 177.39 174.48 1okd n GLU 148 N -0.75 0.00 0.00 3.23 0.00 -1.26 -5.17 120.64 116.68 1okd n GLU 148 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 57.16 56.38 1okd n GLU 148 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 31.44 31.25 1okd n GLU 148 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74