#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 -1.58 0.11 5.00 0.00 -1.19 -3.72 105.19 103.80 1okd n GLY 3 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 0.20 -1.52 0.99 -0.00 -1.87 -2.32 115.31 110.79 1okd h LEU 4 Ca 0.00 -0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.91 1okd h LEU 4 Cb 0.61 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 41.20 1okd h LEU 4 CO 0.00 0.15 0.36 0.44 -0.00 0.00 0.00 178.44 179.39 1okd h ASP 5 N 0.25 0.54 -0.55 -0.43 3.32 -1.78 0.56 116.42 118.33 1okd h ASP 5 Ca 0.07 -0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.22 1okd h ASP 5 Cb -0.02 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.32 1okd h ASP 5 CO -0.03 0.38 0.07 0.50 -1.72 0.00 0.00 179.24 178.44 1okd h LYS 6 N 0.63 0.19 -0.01 3.56 3.64 -1.58 -0.85 116.57 122.15 1okd h LYS 6 Ca 0.21 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1okd h LYS 6 Cb 0.07 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1okd h LYS 6 CO -0.05 0.13 -0.42 0.66 -2.27 0.00 0.00 179.45 177.50 1okd n TYR 7 N -5.17 0.00 -3.44 1.91 4.01 -0.94 -4.52 117.16 109.00 1okd n TYR 7 Ca 0.07 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.55 1okd n TYR 7 Cb 0.29 -0.11 -0.09 0.00 -0.31 0.00 0.00 39.34 39.13 1okd n TYR 7 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1okd n LEU 8 N -0.75 1.88 -4.67 7.72 4.77 0.15 -4.63 117.00 121.46 1okd n LEU 8 Ca 0.10 -5.01 -0.42 0.00 -0.03 0.00 0.00 56.01 50.65 1okd n LEU 8 Cb 0.37 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 1okd n LEU 8 CO 0.30 1.97 1.18 -2.84 -1.33 0.00 0.00 177.39 176.67 1okd s PRO 9 N -1.49 4.24 0.00 3.23 0.02 -1.07 -3.53 135.00 136.40 1okd s PRO 9 Ca 0.34 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.32 1okd s PRO 9 Cb 0.10 -3.74 0.00 0.00 0.02 0.00 0.00 34.50 30.88 1okd s PRO 9 CO -0.10 -0.69 0.00 0.41 -0.33 0.00 0.00 177.00 176.29 1okd n GLY 10 N 3.78 2.24 3.36 0.52 0.00 -1.26 -4.98 105.19 108.85 1okd n GLY 10 Ca 0.15 -0.41 -0.56 0.00 0.00 0.00 0.00 46.02 45.20 1okd n GLY 10 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1okd n ILE 11 N 0.00 0.09 -0.41 -0.61 -0.00 -1.23 -4.76 119.36 112.45 1okd n ILE 11 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 62.75 62.64 1okd n ILE 11 Cb 0.00 -1.02 0.00 0.00 -0.00 0.00 0.00 39.64 38.62 1okd n ILE 11 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1okd n GLU 12 N 7.68 -0.25 -4.09 0.38 1.02 -1.26 -4.98 120.64 119.13 1okd n GLU 12 Ca 0.48 -0.41 -0.07 0.00 -0.02 0.00 0.00 57.16 57.13 1okd n GLU 12 Cb 0.08 -0.80 -0.10 0.00 -0.02 0.00 0.00 31.44 30.60 1okd n GLU 12 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1okd s LYS 13 N -0.09 0.67 0.19 3.49 3.01 -1.26 -3.06 119.74 122.68 1okd s LYS 13 Ca 0.00 -1.25 0.01 0.00 -1.01 0.00 0.00 55.97 53.73 1okd s LYS 13 Cb 0.00 0.22 -0.05 0.00 -1.01 0.00 0.00 37.83 36.99 1okd s LYS 13 CO 0.00 -0.14 0.02 -0.51 0.51 0.00 0.00 175.35 175.23 1okd s LEU 14 N -2.94 1.99 -0.62 3.17 1.43 -1.01 -4.90 118.68 115.80 1okd s LEU 14 Ca 0.10 -1.22 -0.21 0.00 -1.03 0.00 0.00 54.13 51.77 1okd s LEU 14 Cb 0.08 -0.01 0.08 0.00 0.03 0.00 0.00 46.19 46.37 1okd s LEU 14 CO -0.08 -0.61 0.83 -0.13 0.23 0.00 0.00 176.35 176.59 1okd s ARG 15 N -3.95 3.09 0.37 1.70 0.52 0.56 -2.65 118.95 118.59 1okd s ARG 15 Ca 0.27 -1.02 -0.08 0.00 -0.52 0.00 0.00 55.73 54.38 1okd s ARG 15 Cb 0.06 -4.23 -0.06 0.00 0.52 0.00 0.00 34.95 31.25 1okd s ARG 15 CO 0.06 -1.66 0.69 0.50 0.02 0.00 0.00 175.30 174.91 1okd s ARG 16 N 3.39 3.69 0.00 3.54 6.06 0.51 -0.77 118.95 135.38 1okd s ARG 16 Ca 0.17 0.26 0.00 0.00 -2.50 0.00 0.00 55.73 53.66 1okd s ARG 16 Cb -0.20 -2.49 0.00 0.00 0.06 0.00 0.00 34.95 32.32 1okd s ARG 16 CO 0.09 0.04 0.92 0.41 -2.50 0.00 0.00 175.30 174.26 1okd n GLY 17 N -1.28 -2.98 0.39 8.12 0.00 -1.19 -1.54 105.19 106.70 1okd n GLY 17 Ca 0.01 0.41 0.24 0.00 0.00 0.00 0.00 46.02 46.67 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 0.48 0.00 1.61 3.32 -1.96 -3.46 116.42 116.41 1okd h ASP 18 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1okd h ASP 18 Cb 0.00 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1okd h ASP 18 CO 0.00 -0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.12 1okd n GLY 19 N -1.40 -0.87 3.71 2.75 0.00 -0.59 -5.15 105.19 103.64 1okd n GLY 19 Ca 0.29 0.59 -0.29 0.00 0.00 0.00 0.00 46.02 46.61 1okd n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1okd s GLU 20 N 0.00 2.62 0.07 1.61 2.02 -1.26 -0.36 118.70 123.39 1okd s GLU 20 Ca 0.00 -0.85 -0.07 0.00 0.02 0.00 0.00 54.97 54.07 1okd s GLU 20 Cb 0.00 -2.56 -0.01 0.00 0.10 0.00 0.00 34.13 31.66 1okd s GLU 20 CO 0.00 0.53 0.13 0.08 0.02 0.00 0.00 175.26 176.02 1okd s VAL 21 N -1.42 0.15 0.34 2.63 1.01 -1.08 -4.77 120.40 117.25 1okd s VAL 21 Ca 0.27 -1.25 -0.10 0.00 0.00 0.00 0.00 61.98 60.90 1okd s VAL 21 Cb -0.11 -1.25 -0.07 0.00 0.00 0.00 0.00 36.38 34.95 1okd s VAL 21 CO 0.19 -0.69 0.69 -1.61 0.00 0.00 0.00 175.10 173.68 1okd s GLU 22 N -3.50 3.80 0.42 2.72 0.41 -1.26 -2.40 118.70 118.88 1okd s GLU 22 Ca 0.02 0.38 0.19 0.00 -0.41 0.00 0.00 54.97 55.16 1okd s GLU 22 Cb 0.04 -2.49 0.91 0.00 -1.78 0.00 0.00 34.13 30.81 1okd s GLU 22 CO -0.09 0.11 1.86 0.28 -0.49 0.00 0.00 175.26 176.93 1okd h VAL 23 N 1.46 0.93 -0.66 2.63 2.07 -1.90 -2.96 116.25 117.82 1okd h VAL 23 Ca -0.47 -1.15 0.19 0.00 0.82 0.00 0.00 66.70 66.09 1okd h VAL 23 Cb 1.18 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.60 1okd h VAL 23 CO 0.65 0.29 0.61 0.07 0.02 0.00 0.00 177.57 179.22 1okd h LYS 24 N 0.00 0.00 0.00 1.57 2.10 -1.94 0.39 116.57 118.69 1okd h LYS 24 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1okd h LYS 24 Cb 0.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 1okd h LYS 24 CO 0.04 0.00 0.00 0.77 -2.00 0.00 0.00 179.45 178.26 1okd h SER 25 N 0.00 0.00 -1.70 7.07 0.02 -1.94 -2.10 113.55 114.90 1okd h SER 25 Ca 0.31 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.62 1okd h SER 25 Cb 1.53 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 63.69 1okd h SER 25 CO -0.00 0.00 -0.18 0.18 -1.14 0.00 0.00 176.83 175.69 1okd n LEU 26 N -2.56 5.56 -4.25 5.07 4.77 0.14 -4.94 117.00 120.80 1okd n LEU 26 Ca -0.02 -5.13 -0.43 0.00 -0.03 0.00 0.00 56.01 50.40 1okd n LEU 26 Cb 0.06 -0.65 -0.05 0.00 -2.33 0.00 0.00 43.42 40.45 1okd n LEU 26 CO 0.14 2.10 0.31 0.00 -1.33 0.00 0.00 177.39 178.61 1okd s ALA 27 N -3.71 3.95 0.00 -1.18 0.00 -0.79 -4.50 121.76 115.53 1okd s ALA 27 Ca 0.49 -3.34 0.00 0.00 0.00 0.00 0.00 51.96 49.11 1okd s ALA 27 Cb 0.40 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1okd s ALA 27 CO -0.25 -2.22 0.00 0.41 0.00 0.00 0.00 175.76 173.70 1okd n GLY 28 N 3.72 0.74 3.39 0.00 0.00 -1.26 -5.00 105.19 106.79 1okd n GLY 28 Ca 0.13 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.06 1.19 -0.91 1.61 -2.85 -1.26 -4.95 119.74 111.51 1okd s LYS 29 Ca 0.00 -0.82 -0.25 0.00 -1.00 0.00 0.00 55.97 53.91 1okd s LYS 29 Cb 0.00 0.48 0.04 0.00 -2.06 0.00 0.00 37.83 36.29 1okd s LYS 29 CO 0.00 -0.48 1.38 -1.17 0.10 0.00 0.00 175.35 175.18 1okd s LEU 30 N -2.85 3.37 -0.21 2.77 2.96 -1.26 -3.38 118.68 120.08 1okd s LEU 30 Ca 0.07 -1.05 -0.24 0.00 -0.22 0.00 0.00 54.13 52.68 1okd s LEU 30 Cb 0.01 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.12 1okd s LEU 30 CO -0.07 -1.64 0.79 -0.69 -1.32 0.00 0.00 176.35 173.42 1okd s VAL 31 N 5.28 4.89 0.26 1.68 1.01 0.15 -3.18 120.40 130.50 1okd s VAL 31 Ca 0.42 1.51 0.04 0.00 0.00 0.00 0.00 61.98 63.95 1okd s VAL 31 Cb -0.03 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1okd s VAL 31 CO -0.00 -0.00 0.40 -0.36 0.00 0.00 0.00 175.10 175.13 1okd s PHE 32 N 2.41 3.43 -0.25 5.22 0.08 -0.72 0.78 117.98 128.94 1okd s PHE 32 Ca 0.35 0.02 -0.02 0.00 0.12 0.00 0.00 56.93 57.40 1okd s PHE 32 Cb -0.16 -1.65 0.08 0.00 -0.57 0.00 0.00 43.02 40.72 1okd s PHE 32 CO 0.10 0.36 0.06 -0.06 -0.10 0.00 0.00 175.22 175.58 1okd s PHE 33 N -2.04 1.27 -0.45 0.36 0.40 5.13 -2.10 117.98 120.55 1okd s PHE 33 Ca 0.36 -1.23 -0.19 0.00 -0.60 0.00 0.00 56.93 55.27 1okd s PHE 33 Cb -0.09 -1.29 0.03 0.00 0.51 0.00 0.00 43.02 42.18 1okd s PHE 33 CO 0.30 -0.74 0.56 -0.47 0.70 0.00 0.00 175.22 175.57 1okd s TYR 34 N 1.77 3.10 -0.28 0.36 5.04 6.26 -1.35 117.35 132.25 1okd s TYR 34 Ca 0.04 -0.29 -0.15 0.00 -2.44 0.00 0.00 57.07 54.22 1okd s TYR 34 Cb -0.17 -3.22 -0.03 0.00 0.35 0.00 0.00 41.96 38.89 1okd s TYR 34 CO -0.17 -0.84 0.40 -0.06 -1.34 0.00 0.00 175.55 173.53 1okd s PHE 35 N 2.51 3.24 -0.07 4.97 0.40 -0.64 -0.34 117.98 128.05 1okd s PHE 35 Ca 0.17 0.38 -0.32 0.00 -0.60 0.00 0.00 56.93 56.56 1okd s PHE 35 Cb -0.16 -2.62 0.12 0.00 0.51 0.00 0.00 43.02 40.86 1okd s PHE 35 CO 0.15 -0.28 1.21 0.45 0.70 0.00 0.00 175.22 177.46 1okd s SER 36 N 1.65 -0.11 0.09 1.36 0.15 -0.76 0.01 113.70 116.08 1okd s SER 36 Ca 0.16 -0.10 0.08 0.00 0.70 0.00 0.00 55.95 56.79 1okd s SER 36 Cb -0.16 0.19 -0.03 0.00 -1.71 0.00 0.00 66.02 64.31 1okd s SER 36 CO 0.10 -0.34 -0.20 0.00 1.20 0.00 0.00 173.24 174.00 1okd s ALA 37 N -2.52 1.76 -1.49 5.45 0.00 -1.26 0.32 121.76 124.00 1okd s ALA 37 Ca 0.12 -1.19 0.21 0.00 0.00 0.00 0.00 51.96 51.10 1okd s ALA 37 Cb 0.02 -0.26 1.06 0.00 0.00 0.00 0.00 23.12 23.94 1okd s ALA 37 CO -0.04 0.36 1.65 -1.13 0.00 0.00 0.00 175.76 176.60 1okd n SER 38 N 1.28 0.00 -0.22 0.00 3.41 -1.26 -2.97 113.62 113.86 1okd n SER 38 Ca -0.19 -0.08 0.04 0.00 -0.26 0.00 0.00 58.87 58.37 1okd n SER 38 Cb 0.54 -0.25 0.05 0.00 -0.26 0.00 0.00 64.21 64.28 1okd n SER 38 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1okd n TRP 39 N -1.25 0.00 -1.42 7.33 4.27 -1.26 -5.04 117.44 120.06 1okd n TRP 39 Ca 0.10 -0.42 -0.29 0.00 -3.89 0.00 0.00 57.50 53.00 1okd n TRP 39 Cb 0.15 -0.08 0.14 0.00 -1.36 0.00 0.00 31.31 30.16 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 -1.56 -0.63 0.00 0.00 0.11 -1.93 -3.40 132.00 124.60 1okd h PRO 41 Ca -0.51 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1okd h PRO 41 Cb 1.32 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.57 1okd h PRO 41 CO 0.60 -0.32 0.00 -2.30 -0.21 0.00 0.00 178.00 175.77 1okd n PRO 42 N -5.25 0.00 -0.30 1.05 -0.02 -1.26 -4.80 135.00 124.42 1okd n PRO 42 Ca -0.10 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1okd n PRO 42 Cb 0.31 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.73 1okd n PRO 42 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1okd n ARG 44 N -0.05 1.10 -0.97 0.00 -4.01 -1.26 -4.96 116.66 106.51 1okd n ARG 44 Ca 0.00 -2.74 0.00 0.00 -1.04 0.00 0.00 57.85 54.07 1okd n ARG 44 Cb 0.00 -1.19 0.00 0.00 -3.04 0.00 0.00 32.46 28.23 1okd n ARG 44 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1okd n GLY 45 N -0.78 -0.19 3.41 2.89 0.00 -1.26 -5.03 105.19 104.22 1okd n GLY 45 Ca 0.14 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1okd n GLY 45 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1okd n PHE 46 N 9.00 0.00 -0.20 1.61 -0.00 -1.26 -4.82 117.46 121.79 1okd n PHE 46 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1okd n PHE 46 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 39.48 39.56 1okd n PHE 46 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1okd h THR 47 N 0.00 0.46 0.00 -2.13 2.02 -2.01 0.21 112.91 111.46 1okd h THR 47 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1okd h THR 47 Cb 0.00 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1okd h THR 47 CO 0.00 0.01 0.00 -0.81 0.37 0.00 0.00 175.52 175.09 1okd n PRO 48 N -5.33 0.06 0.08 6.66 -0.04 -1.26 -2.97 135.00 132.20 1okd n PRO 48 Ca 0.08 0.16 -0.19 0.00 -0.04 0.00 0.00 63.50 63.51 1okd n PRO 48 Cb 0.33 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.53 -0.01 0.54 7.50 -0.98 -1.90 115.11 120.79 1okd h GLN 49 Ca 0.00 -0.67 -0.00 0.00 0.50 0.00 0.00 58.65 58.48 1okd h GLN 49 Cb 0.29 0.21 -0.00 0.00 0.05 0.00 0.00 27.48 28.03 1okd h GLN 49 CO 0.00 1.28 -0.01 1.25 -1.50 0.00 0.00 178.83 179.85 1okd h LEU 50 N 0.25 0.01 -0.34 1.46 7.12 -1.42 -0.82 115.31 121.58 1okd h LEU 50 Ca -0.15 -0.49 -0.02 0.00 0.13 0.00 0.00 57.88 57.36 1okd h LEU 50 Cb 1.81 -0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.92 1okd h LEU 50 CO 0.21 0.50 0.14 0.40 -0.13 0.00 0.00 178.44 179.57 1okd h ILE 51 N -0.47 1.18 -0.62 4.05 5.03 -1.66 0.36 117.51 125.37 1okd h ILE 51 Ca 0.00 -0.54 -0.06 0.00 -0.12 0.00 0.00 64.86 64.15 1okd h ILE 51 Cb 0.50 0.90 -0.03 0.00 -3.03 0.00 0.00 36.82 35.16 1okd h ILE 51 CO 0.00 0.19 0.16 -0.08 -0.68 0.00 0.00 178.15 177.74 1okd h GLU 52 N 0.40 0.97 -0.19 2.37 4.81 -1.40 0.73 114.58 122.27 1okd h GLU 52 Ca 0.11 -0.21 -0.11 0.00 -0.13 0.00 0.00 59.36 59.03 1okd h GLU 52 Cb 0.17 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1okd h GLU 52 CO -0.01 0.86 -0.30 0.35 -0.73 0.00 0.00 179.01 179.17 1okd h PHE 53 N 0.93 0.67 0.01 0.92 3.57 -0.85 -2.75 116.94 119.43 1okd h PHE 53 Ca 0.20 -0.23 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1okd h PHE 53 Cb 0.32 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1okd h PHE 53 CO 0.02 0.95 -0.00 1.88 -2.23 0.00 0.00 178.31 178.93 1okd h TYR 54 N 0.20 -0.01 -0.32 0.41 -1.99 -0.09 -3.13 116.97 112.05 1okd h TYR 54 Ca 0.02 -0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.84 1okd h TYR 54 Cb 0.89 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.61 1okd h TYR 54 CO 0.09 0.57 0.33 -0.44 -0.00 0.00 0.00 178.16 178.71 1okd h ASP 55 N -0.60 0.00 0.39 3.88 3.32 0.38 1.20 116.42 125.00 1okd h ASP 55 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1okd h ASP 55 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1okd h ASP 55 CO 0.00 0.00 -0.19 0.11 -1.72 0.00 0.00 179.24 177.44 1okd h LYS 56 N 0.00 -0.51 0.00 3.56 1.79 -1.42 -3.41 116.57 116.58 1okd h LYS 56 Ca 0.15 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1okd h LYS 56 Cb 0.81 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1okd h LYS 56 CO -0.00 -0.33 0.00 1.19 -1.08 0.00 0.00 179.45 179.23 1okd n PHE 57 N -5.31 0.00 0.02 -1.35 3.72 -0.92 -4.86 117.46 108.76 1okd n PHE 57 Ca -0.11 0.00 0.22 0.00 -0.05 0.00 0.00 57.45 57.52 1okd n PHE 57 Cb 0.23 0.01 0.69 0.00 -0.94 0.00 0.00 39.48 39.47 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 0.00 -0.62 1.38 2.07 0.12 0.37 115.15 118.47 1okd h HIS 58 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1okd h HIS 58 Cb 0.68 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.63 1okd h HIS 58 CO 0.00 0.00 0.37 0.93 -3.07 0.00 0.00 177.93 176.16 1okd h GLU 59 N 0.00 0.84 0.03 5.12 5.08 -1.87 0.56 114.58 124.34 1okd h GLU 59 Ca 0.27 -0.08 -0.32 0.00 -1.00 0.00 0.00 59.36 58.23 1okd h GLU 59 Cb 1.48 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.51 1okd h GLU 59 CO -0.00 0.60 -1.83 0.45 -1.00 0.00 0.00 179.01 177.23 1okd n SER 60 N -4.60 1.15 0.17 1.42 2.88 0.65 -4.04 113.62 111.24 1okd n SER 60 Ca 0.04 0.33 0.03 0.00 -1.33 0.00 0.00 58.87 57.94 1okd n SER 60 Cb 0.05 -0.20 0.30 0.00 -0.75 0.00 0.00 64.21 63.61 1okd n SER 60 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1okd h LYS 61 N 0.02 0.00 -6.16 -1.46 1.57 -0.36 -3.48 116.57 106.69 1okd h LYS 61 Ca -0.34 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.06 1okd h LYS 61 Cb 2.03 0.00 0.07 0.00 0.08 0.00 0.00 32.23 34.41 1okd h LYS 61 CO 0.08 0.46 -0.85 -1.71 -0.57 0.00 0.00 179.45 176.85 1okd n ASN 62 N -3.77 -5.62 -4.59 0.86 5.15 0.19 -4.89 115.26 102.59 1okd n ASN 62 Ca -0.01 -0.89 -0.27 0.00 -0.60 0.00 0.00 54.58 52.81 1okd n ASN 62 Cb 0.51 -3.46 -0.11 0.00 -0.53 0.00 0.00 39.78 36.20 1okd n ASN 62 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1okd s PHE 63 N -3.35 2.34 -0.02 1.20 0.08 -1.25 -4.53 117.98 112.46 1okd s PHE 63 Ca 0.37 -0.76 -0.01 0.00 0.12 0.00 0.00 56.93 56.64 1okd s PHE 63 Cb -0.13 -1.66 0.01 0.00 -0.57 0.00 0.00 43.02 40.67 1okd s PHE 63 CO 0.85 0.33 0.04 -2.00 -0.10 0.00 0.00 175.22 174.34 1okd s GLU 64 N -3.76 0.04 -0.24 0.44 2.12 -1.19 -4.98 118.70 111.13 1okd s GLU 64 Ca 0.33 0.08 -0.01 0.00 0.36 0.00 0.00 54.97 55.73 1okd s GLU 64 Cb 0.09 -0.01 0.03 0.00 0.26 0.00 0.00 34.13 34.50 1okd s GLU 64 CO 0.16 -0.03 -0.08 0.08 -0.54 0.00 0.00 175.26 174.86 1okd s VAL 65 N 0.17 2.74 0.16 3.70 1.01 -1.26 -1.75 120.40 125.16 1okd s VAL 65 Ca -0.01 -1.06 -0.15 0.00 0.00 0.00 0.00 61.98 60.76 1okd s VAL 65 Cb -0.02 -2.38 -0.07 0.00 0.00 0.00 0.00 36.38 33.91 1okd s VAL 65 CO -0.00 0.22 0.58 -0.69 0.00 0.00 0.00 175.10 175.20 1okd s VAL 66 N 1.30 4.82 -0.58 2.92 1.01 -0.89 -4.26 120.40 124.72 1okd s VAL 66 Ca -0.00 0.89 -0.21 0.00 0.00 0.00 0.00 61.98 62.66 1okd s VAL 66 Cb -0.16 -3.75 0.07 0.00 0.00 0.00 0.00 36.38 32.54 1okd s VAL 66 CO -0.05 0.23 0.80 0.12 0.00 0.00 0.00 175.10 176.19 1okd s PHE 67 N -1.49 2.88 -0.43 5.22 5.36 0.10 -2.81 117.98 126.82 1okd s PHE 67 Ca 0.39 -0.59 -0.21 0.00 -0.96 0.00 0.00 56.93 55.56 1okd s PHE 67 Cb -0.15 -3.98 0.02 0.00 -0.34 0.00 0.00 43.02 38.57 1okd s PHE 67 CO 0.19 -1.34 0.68 0.00 -1.46 0.00 0.00 175.22 173.29 1okd s THR 69 N 2.92 3.12 -0.29 0.00 -1.32 -1.26 -1.82 115.64 116.99 1okd s THR 69 Ca 0.25 0.36 0.20 0.00 -1.21 0.00 0.00 61.69 61.29 1okd s THR 69 Cb -0.14 -2.94 0.48 0.00 -1.51 0.00 0.00 72.50 68.39 1okd s THR 69 CO 0.19 -0.47 1.25 1.87 -2.21 0.00 0.00 174.62 175.25 1okd n TRP 70 N -3.59 0.14 -3.43 9.09 -0.00 0.15 -4.44 117.44 115.37 1okd n TRP 70 Ca 0.08 -2.01 -0.22 0.00 -0.00 0.00 0.00 57.50 55.35 1okd n TRP 70 Cb 0.55 0.37 0.03 0.00 -0.00 0.00 0.00 31.31 32.25 1okd n TRP 70 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 1okd s ASP 71 N -2.91 4.92 -0.08 5.87 1.11 -1.26 -4.36 116.67 119.96 1okd s ASP 71 Ca 0.21 -1.00 0.11 0.00 0.18 0.00 0.00 52.55 52.06 1okd s ASP 71 Cb 0.36 0.26 -0.16 0.00 1.07 0.00 0.00 42.92 44.45 1okd s ASP 71 CO -0.07 -1.18 0.13 1.21 1.18 0.00 0.00 175.17 176.44 1okd n GLU 72 N -1.99 1.45 -5.04 8.23 0.00 -1.26 -4.97 120.64 117.06 1okd n GLU 72 Ca 0.07 -0.05 -0.32 0.00 0.00 0.00 0.00 57.16 56.87 1okd n GLU 72 Cb 0.63 -1.30 -0.15 0.00 0.00 0.00 0.00 31.44 30.61 1okd n GLU 72 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1okd s GLU 73 N -2.51 2.82 0.24 5.31 2.56 -1.26 -5.02 118.70 120.84 1okd s GLU 73 Ca -0.05 -0.79 -0.05 0.00 0.00 0.00 0.00 54.97 54.07 1okd s GLU 73 Cb 0.05 -2.36 0.40 0.00 2.00 0.00 0.00 34.13 34.23 1okd s GLU 73 CO 0.50 0.37 1.75 1.05 -0.56 0.00 0.00 175.26 178.37 1okd h GLU 74 N 6.14 0.49 -0.13 4.30 4.11 -2.01 0.83 114.58 128.30 1okd h GLU 74 Ca -0.32 -0.03 0.04 0.00 0.07 0.00 0.00 59.36 59.12 1okd h GLU 74 Cb 1.19 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1okd h GLU 74 CO 0.50 0.33 0.25 -0.44 0.07 0.00 0.00 179.01 179.72 1okd h ASP 75 N 0.51 0.00 0.26 3.06 5.19 -2.00 -2.00 116.42 121.45 1okd h ASP 75 Ca 0.38 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.78 1okd h ASP 75 Cb 0.51 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.02 1okd h ASP 75 CO -0.34 0.00 -0.12 1.23 -3.12 0.00 0.00 179.24 176.88 1okd h GLY 76 N 0.00 -0.36 1.22 2.75 0.00 -1.25 -3.15 103.07 102.28 1okd h GLY 76 Ca 0.06 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1okd h GLY 76 CO -0.00 -0.13 0.48 0.27 0.00 0.00 0.00 176.54 177.16 1okd h PHE 77 N -0.92 1.00 -0.24 5.60 -5.15 -1.47 -2.97 116.94 112.79 1okd h PHE 77 Ca -0.04 0.01 0.06 0.00 -0.20 0.00 0.00 57.97 57.81 1okd h PHE 77 Cb 0.50 -0.33 -0.07 0.00 0.22 0.00 0.00 35.95 36.27 1okd h PHE 77 CO 0.05 0.65 -0.26 0.00 -2.00 0.00 0.00 178.31 176.75 1okd h ALA 78 N 1.48 -0.17 0.00 12.09 0.00 -1.45 0.77 119.26 131.98 1okd h ALA 78 Ca 0.28 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1okd h ALA 78 Cb -0.07 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1okd h ALA 78 CO -0.06 -0.69 0.10 0.41 0.00 0.00 0.00 179.25 179.01 1okd n GLY 79 N -1.38 -0.76 0.33 0.00 0.00 -1.12 0.10 105.19 102.35 1okd n GLY 79 Ca -0.01 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.14 0.00 0.32 1.61 4.19 0.26 -4.19 117.16 117.22 1okd n TYR 80 Ca -0.01 0.00 0.20 0.00 3.31 0.00 0.00 57.90 61.40 1okd n TYR 80 Cb 0.13 -0.08 1.08 0.00 0.49 0.00 0.00 39.34 40.96 1okd n TYR 80 CO 0.00 0.00 0.00 0.27 0.91 0.00 0.00 176.86 178.04 1okd h PHE 81 N 1.60 0.00 -0.02 2.98 -0.00 0.13 -2.14 116.94 119.49 1okd h PHE 81 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.97 57.98 1okd h PHE 81 Cb 0.59 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.53 1okd h PHE 81 CO 0.00 0.00 0.25 0.00 -0.00 0.00 0.00 178.31 178.56 1okd h ALA 82 N 1.85 1.29 -1.43 12.09 0.00 -1.76 -3.43 119.26 127.87 1okd h ALA 82 Ca 0.00 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1okd h ALA 82 Cb 0.15 0.00 0.15 0.00 0.00 0.00 0.00 17.79 18.08 1okd h ALA 82 CO 0.00 -0.26 -0.60 0.36 0.00 0.00 0.00 179.25 178.75 1okd n LYS 83 N -2.99 -1.79 -0.78 0.00 -0.00 -0.81 -4.91 118.16 106.89 1okd n LYS 83 Ca -0.02 -0.52 -0.31 0.00 -0.00 0.00 0.00 58.31 57.45 1okd n LYS 83 Cb 0.31 -1.43 0.11 0.00 -0.00 0.00 0.00 35.03 34.02 1okd n LYS 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1okd n MET 84 N -1.14 -1.03 0.12 -1.58 2.81 -1.26 -4.85 117.12 110.19 1okd n MET 84 Ca 0.04 -0.29 0.13 0.00 -1.81 0.00 0.00 57.70 55.76 1okd n MET 84 Cb 0.40 -1.37 0.45 0.00 -0.71 0.00 0.00 33.22 31.99 1okd n MET 84 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1okd n PRO 85 N -0.12 0.24 -0.91 0.03 -0.04 -1.26 -4.89 135.00 128.05 1okd n PRO 85 Ca 0.00 0.33 -0.36 0.00 -0.04 0.00 0.00 63.50 63.43 1okd n PRO 85 Cb 0.61 -1.85 0.07 0.00 -0.04 0.00 0.00 33.50 32.29 1okd n PRO 85 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1okd n TRP 86 N -2.28 -2.58 -2.98 0.54 2.14 -1.26 -3.14 117.44 107.89 1okd n TRP 86 Ca 0.04 0.28 -0.35 0.00 2.07 0.00 0.00 57.50 59.54 1okd n TRP 86 Cb 0.33 -1.49 -0.06 0.00 -0.81 0.00 0.00 31.31 29.28 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 4.83 4.25 0.08 5.67 1.43 -1.26 -4.40 118.68 129.27 1okd s LEU 87 Ca 0.44 1.56 0.07 0.00 -1.03 0.00 0.00 54.13 55.17 1okd s LEU 87 Cb -0.07 -3.91 -0.03 0.00 0.03 0.00 0.00 46.19 42.20 1okd s LEU 87 CO 0.72 -0.08 -0.19 0.00 0.23 0.00 0.00 176.35 177.02 1okd s ALA 88 N -1.71 1.64 -0.24 4.21 0.00 0.05 -0.72 121.76 124.99 1okd s ALA 88 Ca 0.49 -1.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.04 1okd s ALA 88 Cb -0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 1okd s ALA 88 CO 0.20 0.33 1.39 0.08 0.00 0.00 0.00 175.76 177.75 1okd s VAL 89 N -1.06 4.04 0.93 0.00 1.01 -0.96 -0.32 120.40 124.04 1okd s VAL 89 Ca 0.05 1.19 -0.11 0.00 0.00 0.00 0.00 61.98 63.11 1okd s VAL 89 Cb -0.09 -3.98 0.15 0.00 0.00 0.00 0.00 36.38 32.46 1okd s VAL 89 CO 0.03 -0.34 1.09 -2.16 0.00 0.00 0.00 175.10 173.73 1okd s PRO 90 N 4.14 0.95 0.53 2.72 0.04 -1.26 -4.62 135.00 137.50 1okd s PRO 90 Ca 0.60 1.02 0.27 0.00 0.04 0.00 0.00 61.00 62.93 1okd s PRO 90 Cb -0.21 -1.76 1.41 0.00 0.04 0.00 0.00 34.50 33.98 1okd s PRO 90 CO 0.23 -2.51 1.96 0.35 0.04 0.00 0.00 177.00 177.07 1okd h PHE 91 N -1.75 0.03 -0.88 0.56 3.04 -1.98 -0.61 116.94 115.35 1okd h PHE 91 Ca -0.49 0.00 0.14 0.00 3.98 0.00 0.00 57.97 61.59 1okd h PHE 91 Cb 1.28 -0.01 -0.07 0.00 2.56 0.00 0.00 35.95 39.72 1okd h PHE 91 CO 0.43 0.01 0.57 0.00 -2.02 0.00 0.00 178.31 177.30 1okd h ALA 92 N 1.67 1.82 -0.31 2.41 0.00 -2.02 -1.47 119.26 121.36 1okd h ALA 92 Ca 0.32 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 1okd h ALA 92 Cb 1.23 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1okd h ALA 92 CO -0.01 -0.05 -0.04 1.04 0.00 0.00 0.00 179.25 180.18 1okd n GLN 93 N -4.55 2.14 -0.15 0.00 6.02 -0.26 -4.66 117.38 115.93 1okd n GLN 93 Ca 0.17 -3.05 -0.11 0.00 -0.01 0.00 0.00 57.00 54.00 1okd n GLN 93 Cb 0.45 -1.81 -0.01 0.00 1.02 0.00 0.00 30.24 29.89 1okd n GLN 93 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1okd h SER 94 N 1.19 0.82 -0.61 1.08 4.64 -1.02 -2.58 113.55 117.06 1okd h SER 94 Ca 0.15 -0.35 0.18 0.00 -0.47 0.00 0.00 61.79 61.29 1okd h SER 94 Cb 1.57 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 63.41 1okd h SER 94 CO 0.32 0.98 0.44 -0.08 -0.87 0.00 0.00 176.83 177.62 1okd h GLU 95 N 0.65 0.00 -0.37 4.77 4.81 -1.83 0.30 114.58 122.91 1okd h GLU 95 Ca 0.11 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 1okd h GLU 95 Cb 0.61 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 1okd h GLU 95 CO 0.04 0.00 -0.16 0.00 -0.73 0.00 0.00 179.01 178.16 1okd h ALA 96 N 1.69 1.03 -0.60 2.92 0.00 -1.81 -1.66 119.26 120.83 1okd h ALA 96 Ca 0.29 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1okd h ALA 96 Cb 1.17 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1okd h ALA 96 CO -0.00 0.58 0.40 0.28 0.00 0.00 0.00 179.25 180.51 1okd h VAL 97 N 0.61 1.14 0.04 0.00 2.07 -0.39 1.48 116.25 121.19 1okd h VAL 97 Ca 0.10 -0.27 -0.24 0.00 0.82 0.00 0.00 66.70 67.10 1okd h VAL 97 Cb 0.62 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1okd h VAL 97 CO 0.04 0.14 -1.19 1.56 0.02 0.00 0.00 177.57 178.14 1okd h GLN 98 N 0.79 0.08 0.08 1.57 4.20 -1.42 -1.38 115.11 119.03 1okd h GLN 98 Ca 0.23 -0.14 -0.26 0.00 0.06 0.00 0.00 58.65 58.54 1okd h GLN 98 Cb -0.05 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1okd h GLN 98 CO -0.05 0.99 -1.22 0.87 -0.67 0.00 0.00 178.83 178.75 1okd h LYS 99 N 0.02 0.16 0.00 1.46 1.79 -0.50 -2.88 116.57 116.62 1okd h LYS 99 Ca -0.09 -0.27 -0.01 0.00 -2.18 0.00 0.00 60.65 58.09 1okd h LYS 99 Cb 1.87 0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 32.62 1okd h LYS 99 CO 0.14 1.09 -0.07 1.37 -1.08 0.00 0.00 179.45 180.91 1okd h LEU 100 N 0.04 0.00 -1.66 2.94 8.10 0.20 -3.32 115.31 121.61 1okd h LEU 100 Ca -0.11 -0.93 0.12 0.00 0.11 0.00 0.00 57.88 57.06 1okd h LEU 100 Cb 1.91 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 42.09 1okd h LEU 100 CO 0.17 1.01 0.43 -1.28 -4.11 0.00 0.00 178.44 174.65 1okd h SER 101 N -1.00 0.33 -0.33 0.17 0.87 -1.39 -0.14 113.55 112.06 1okd h SER 101 Ca -0.02 0.01 0.09 0.00 -1.23 0.00 0.00 61.79 60.65 1okd h SER 101 Cb 0.98 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 1okd h SER 101 CO -0.01 0.19 0.28 0.50 -0.53 0.00 0.00 176.83 177.26 1okd h LYS 102 N 0.36 0.00 0.00 2.24 1.63 -1.60 0.96 116.57 120.16 1okd h LYS 102 Ca 0.30 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.06 1okd h LYS 102 Cb 0.68 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.30 1okd h LYS 102 CO -0.08 0.00 -0.20 1.25 -3.45 0.00 0.00 179.45 176.97 1okd h HIS 103 N 0.00 0.00 -0.33 1.91 2.76 -1.16 -1.87 115.15 116.46 1okd h HIS 103 Ca 0.15 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1okd h HIS 103 Cb 0.71 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.67 1okd h HIS 103 CO 0.00 0.20 0.00 1.19 -1.30 0.00 0.00 177.93 178.02 1okd n PHE 104 N -3.92 0.43 -3.17 5.26 3.72 0.32 -4.93 117.46 115.17 1okd n PHE 104 Ca -0.02 -0.21 -0.22 0.00 -0.05 0.00 0.00 57.45 56.95 1okd n PHE 104 Cb 0.29 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 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 0.95 -4.24 -4.51 4.37 2.85 -0.70 -4.74 115.26 109.23 1okd n ASN 105 Ca 0.18 -0.29 -0.40 0.00 -0.11 0.00 0.00 54.58 53.95 1okd n ASN 105 Cb 0.47 -3.50 -0.10 0.00 1.24 0.00 0.00 39.78 37.89 1okd n ASN 105 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1okd n VAL 106 N -3.99 -0.02 -0.17 3.44 0.31 -1.24 -4.79 118.33 111.88 1okd n VAL 106 Ca -0.05 -0.31 -0.02 0.00 -0.01 0.00 0.00 64.34 63.95 1okd n VAL 106 Cb 0.57 -1.41 0.07 0.00 -0.91 0.00 0.00 33.84 32.16 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 14.69 0.25 -1.55 5.55 5.08 -1.96 -3.45 114.58 133.19 1okd h GLU 107 Ca -0.14 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1okd h GLU 107 Cb 1.30 -0.06 -0.23 0.00 0.50 0.00 0.00 28.75 30.26 1okd h GLU 107 CO 1.27 0.17 0.57 -1.54 -1.00 0.00 0.00 179.01 178.48 1okd s SER 108 N -5.32 -0.35 0.61 1.42 1.04 -1.26 -5.17 113.70 104.66 1okd s SER 108 Ca -0.13 0.37 -0.09 0.00 0.48 0.00 0.00 55.95 56.58 1okd s SER 108 Cb 0.16 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 1okd s SER 108 CO 0.73 -0.33 0.98 0.27 0.98 0.00 0.00 173.24 175.87 1okd s ILE 109 N -1.16 4.40 0.81 -1.02 -5.25 -1.26 -4.56 121.20 113.16 1okd s ILE 109 Ca -0.01 0.58 -0.12 0.00 -0.99 0.00 0.00 60.65 60.12 1okd s ILE 109 Cb -0.00 -3.75 0.08 0.00 2.95 0.00 0.00 42.46 41.73 1okd s ILE 109 CO 0.01 -0.92 1.10 -2.16 -1.79 0.00 0.00 174.94 171.18 1okd s PRO 110 N -5.11 1.95 0.19 0.37 0.04 -1.26 -4.71 135.00 126.47 1okd s PRO 110 Ca 0.54 0.58 -0.09 0.00 0.04 0.00 0.00 61.00 62.07 1okd s PRO 110 Cb -0.11 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 1okd s PRO 110 CO 0.51 -1.70 0.32 0.99 0.04 0.00 0.00 177.00 177.16 1okd s THR 111 N -3.18 0.04 -0.12 1.26 2.01 0.10 -4.97 115.64 110.78 1okd s THR 111 Ca 0.61 -1.47 -0.05 0.00 0.31 0.00 0.00 61.69 61.09 1okd s THR 111 Cb -0.14 -2.03 0.06 0.00 0.01 0.00 0.00 72.50 70.40 1okd s THR 111 CO 0.54 -0.17 0.26 -0.22 -0.69 0.00 0.00 174.62 174.34 1okd s LEU 112 N -3.01 0.01 -0.07 4.42 1.98 -1.26 -1.62 118.68 119.14 1okd s LEU 112 Ca 0.21 0.58 0.01 0.00 -2.89 0.00 0.00 54.13 52.04 1okd s LEU 112 Cb 0.03 0.75 0.02 0.00 0.66 0.00 0.00 46.19 47.65 1okd s LEU 112 CO 0.04 -0.21 -0.06 -0.63 -1.89 0.00 0.00 176.35 173.60 1okd s ILE 113 N 1.87 0.77 -0.21 6.68 -1.09 -0.46 -2.97 121.20 125.79 1okd s ILE 113 Ca -0.04 -0.21 -0.11 0.00 -2.23 0.00 0.00 60.65 58.06 1okd s ILE 113 Cb -0.11 -0.78 -0.05 0.00 -1.58 0.00 0.00 42.46 39.94 1okd s ILE 113 CO -0.09 0.29 0.16 -0.83 -1.23 0.00 0.00 174.94 173.25 1okd s GLY 114 N 1.18 2.03 0.01 6.18 0.00 -1.24 0.13 107.32 115.61 1okd s GLY 114 Ca -0.06 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 43.95 1okd s GLY 114 CO -0.02 0.27 -0.09 -1.34 0.00 0.00 0.00 173.10 171.92 1okd s VAL 115 N 0.65 0.73 -0.27 1.40 -7.23 0.23 -1.41 120.40 114.49 1okd s VAL 115 Ca 0.09 -0.57 -0.10 0.00 -1.81 0.00 0.00 61.98 59.59 1okd s VAL 115 Cb -0.12 -0.65 -0.04 0.00 0.56 0.00 0.00 36.38 36.13 1okd s VAL 115 CO 0.01 0.08 0.16 -1.81 -0.31 0.00 0.00 175.10 173.23 1okd s ASP 116 N -0.54 5.78 0.19 4.85 1.01 -1.24 0.35 116.67 127.06 1okd s ASP 116 Ca 0.01 -0.07 -0.09 0.00 0.71 0.00 0.00 52.55 53.12 1okd s ASP 116 Cb -0.05 -2.07 0.10 0.00 1.01 0.00 0.00 42.92 41.91 1okd s ASP 116 CO 0.00 -0.05 1.68 0.00 0.21 0.00 0.00 175.17 177.02 1okd h ALA 117 N 8.34 0.90 0.10 5.23 0.00 -1.79 -1.31 119.26 130.72 1okd h ALA 117 Ca -0.36 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.12 1okd h ALA 117 Cb 1.19 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 18.74 1okd h ALA 117 CO 0.56 0.67 -0.66 -0.44 0.00 0.00 0.00 179.25 179.38 1okd h ASP 118 N 1.05 0.41 -0.60 0.00 3.32 -1.90 -0.42 116.42 118.28 1okd h ASP 118 Ca 0.20 -0.92 0.02 0.00 0.02 0.00 0.00 57.03 56.36 1okd h ASP 118 Cb 0.45 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 1okd h ASP 118 CO 0.01 1.30 0.37 0.77 -1.72 0.00 0.00 179.24 179.98 1okd h SER 119 N -0.41 0.61 0.00 6.45 4.64 -1.93 -3.40 113.55 119.52 1okd h SER 119 Ca -0.11 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1okd h SER 119 Cb 1.49 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1okd h SER 119 CO 0.13 0.43 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 1okd n GLY 120 N -1.26 0.56 0.00 -0.77 0.00 -0.50 -4.87 105.19 98.35 1okd n GLY 120 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1okd n GLY 120 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1okd n ASP 121 N 0.00 0.00 -4.68 1.61 5.75 -1.26 -3.15 116.55 114.81 1okd n ASP 121 Ca 0.00 -0.99 -0.43 0.00 -0.01 0.00 0.00 54.79 53.36 1okd n ASP 121 Cb 0.00 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 1okd n ASP 121 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1okd n VAL 122 N -1.59 2.04 0.30 2.12 0.31 -1.26 -3.71 118.33 116.54 1okd n VAL 122 Ca 0.00 -0.50 0.04 0.00 -0.01 0.00 0.00 64.34 63.87 1okd n VAL 122 Cb 0.00 -1.49 -0.05 0.00 -0.91 0.00 0.00 33.84 31.38 1okd n VAL 122 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1okd n VAL 123 N 0.27 0.00 -3.92 2.52 0.31 -0.50 -4.91 118.33 112.10 1okd n VAL 123 Ca 0.05 -0.27 -0.09 0.00 -0.01 0.00 0.00 64.34 64.02 1okd n VAL 123 Cb 0.36 0.83 -0.05 0.00 -0.91 0.00 0.00 33.84 34.07 1okd n VAL 123 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1okd s THR 124 N -2.01 0.01 0.20 2.52 -1.32 -0.66 -3.41 115.64 110.97 1okd s THR 124 Ca 0.02 -1.21 0.00 0.00 -1.21 0.00 0.00 61.69 59.29 1okd s THR 124 Cb 0.06 -2.01 0.00 0.00 -1.51 0.00 0.00 72.50 69.05 1okd s THR 124 CO 0.36 -0.05 0.00 0.35 -2.21 0.00 0.00 174.62 173.07 1okd n THR 125 N -0.37 0.00 -0.46 5.08 -2.24 -1.26 -3.60 114.28 111.43 1okd n THR 125 Ca -0.04 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.72 1okd n THR 125 Cb 0.62 -0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 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 -3.12 0.93 0.27 -0.78 1.85 -1.26 -4.28 116.66 110.27 1okd n ARG 126 Ca 0.00 -0.17 0.16 0.00 -1.00 0.00 0.00 57.85 56.84 1okd n ARG 126 Cb 0.00 -1.29 0.71 0.00 -1.05 0.00 0.00 32.46 30.83 1okd n ARG 126 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1okd h ALA 127 N 2.18 1.05 -0.26 2.89 0.00 -1.88 -2.59 119.26 120.66 1okd h ALA 127 Ca 0.03 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1okd h ALA 127 Cb 0.85 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1okd h ALA 127 CO 0.07 0.08 -0.03 0.07 0.00 0.00 0.00 179.25 179.45 1okd h ARG 128 N 0.00 0.05 0.18 0.00 0.11 -1.74 0.53 114.38 113.50 1okd h ARG 128 Ca -0.00 -0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.75 1okd h ARG 128 Cb 0.47 -0.01 0.01 0.00 1.11 0.00 0.00 29.97 31.55 1okd h ARG 128 CO 0.01 0.03 -1.60 0.00 0.10 0.00 0.00 179.97 178.51 1okd h ALA 129 N 1.24 0.10 -0.22 0.08 0.00 -1.92 -3.36 119.26 115.19 1okd h ALA 129 Ca 0.13 -1.07 -0.09 0.00 0.00 0.00 0.00 54.91 53.87 1okd h ALA 129 Cb 0.18 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1okd h ALA 129 CO -0.23 0.90 -0.22 1.79 0.00 0.00 0.00 179.25 181.48 1okd h THR 130 N -0.00 1.32 -0.94 0.00 1.35 -1.43 0.47 112.91 113.69 1okd h THR 130 Ca -0.32 -1.39 0.18 0.00 -0.55 0.00 0.00 66.41 64.34 1okd h THR 130 Cb 2.01 1.73 -0.08 0.00 -1.73 0.00 0.00 68.15 70.09 1okd h THR 130 CO 0.17 0.43 0.60 0.25 -0.25 0.00 0.00 175.52 176.71 1okd h LEU 131 N 0.22 0.59 0.00 3.87 6.46 -0.12 0.35 115.31 126.68 1okd h LEU 131 Ca 0.03 0.06 -0.22 0.00 -0.12 0.00 0.00 57.88 57.64 1okd h LEU 131 Cb 0.78 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.62 1okd h LEU 131 CO 0.06 0.24 -1.18 1.62 -0.62 0.00 0.00 178.44 178.56 1okd h VAL 132 N 0.59 0.97 -0.00 1.05 3.04 -1.68 -3.37 116.25 116.85 1okd h VAL 132 Ca 0.50 -2.19 0.00 0.00 -1.01 0.00 0.00 66.70 64.00 1okd h VAL 132 Cb 0.98 2.31 0.00 0.00 -2.01 0.00 0.00 31.29 32.57 1okd h VAL 132 CO -0.25 0.34 0.00 0.29 -1.01 0.00 0.00 177.57 176.94 1okd n LYS 133 N -4.44 1.02 -3.79 4.17 4.76 0.17 -4.40 118.16 115.64 1okd n LYS 133 Ca -0.31 -0.02 -0.30 0.00 -2.87 0.00 0.00 58.31 54.82 1okd n LYS 133 Cb 0.67 -1.26 -0.10 0.00 -1.84 0.00 0.00 35.03 32.50 1okd n LYS 133 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1okd n ASP 134 N -0.24 3.39 -0.70 4.39 2.03 0.12 -4.91 116.55 120.64 1okd n ASP 134 Ca 0.00 -3.23 0.02 0.00 0.52 0.00 0.00 54.79 52.10 1okd n ASP 134 Cb 0.13 -0.81 0.10 0.00 -0.72 0.00 0.00 41.12 39.82 1okd n ASP 134 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1okd n PRO 135 N 1.88 1.84 -0.02 -0.67 -0.04 -1.26 -3.60 135.00 133.12 1okd n PRO 135 Ca 0.21 -0.79 -0.01 0.00 -0.04 0.00 0.00 63.50 62.87 1okd n PRO 135 Cb 0.36 -1.52 -0.05 0.00 -0.04 0.00 0.00 33.50 32.25 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 0.14 2.21 -2.10 0.54 -0.58 -1.26 -5.00 120.64 114.58 1okd n GLU 136 Ca 0.07 -0.02 -0.21 0.00 -0.42 0.00 0.00 57.16 56.59 1okd n GLU 136 Cb 0.39 -1.15 -0.04 0.00 -0.57 0.00 0.00 31.44 30.07 1okd n GLU 136 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1okd n GLY 137 N 2.50 0.41 0.09 0.62 0.00 -1.24 -4.85 105.19 102.72 1okd n GLY 137 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 1okd n GLY 137 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1okd h GLU 138 N 0.00 0.00 0.00 1.61 5.08 -1.94 -3.33 114.58 115.99 1okd h GLU 138 Ca -0.46 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1okd h GLU 138 Cb 1.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1okd h GLU 138 CO 0.59 0.73 -0.17 1.04 -1.00 0.00 0.00 179.01 180.20 1okd n GLN 139 N -3.25 1.18 -0.15 2.33 3.00 -1.26 -4.91 117.38 114.32 1okd n GLN 139 Ca -0.01 -2.56 0.06 0.00 -0.01 0.00 0.00 57.00 54.48 1okd n GLN 139 Cb 0.87 -1.39 0.12 0.00 0.00 0.00 0.00 30.24 29.84 1okd n GLN 139 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1okd n PHE 140 N -1.19 0.26 0.36 1.08 -1.74 -1.25 0.44 117.46 115.41 1okd n PHE 140 Ca 0.15 0.53 0.01 0.00 -0.56 0.00 0.00 57.45 57.58 1okd n PHE 140 Cb 0.67 -0.82 0.07 0.00 1.52 0.00 0.00 39.48 40.92 1okd n PHE 140 CO 0.00 0.00 0.00 -0.35 -0.56 0.00 0.00 176.76 175.85 1okd n PRO 141 N -4.52 0.18 -0.71 3.97 -0.04 -1.26 -4.80 135.00 127.81 1okd n PRO 141 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1okd n PRO 141 Cb 0.32 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.71 0.00 -0.48 0.54 8.01 1.51 -4.04 117.44 122.28 1okd n TRP 142 Ca 0.02 0.00 -0.18 0.00 -1.31 0.00 0.00 57.50 56.03 1okd n TRP 142 Cb 0.01 0.00 0.16 0.00 -2.01 0.00 0.00 31.31 29.47 1okd n TRP 142 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.69 177.04 1okd n LYS 143 N -0.16 -2.65 0.31 -0.99 2.85 -1.22 -4.16 118.16 112.14 1okd n LYS 143 Ca 0.00 -0.78 0.19 0.00 -1.05 0.00 0.00 58.31 56.67 1okd n LYS 143 Cb 0.00 -1.52 1.03 0.00 -0.65 0.00 0.00 35.03 33.89 1okd n LYS 143 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1okd h ASP 144 N -2.86 0.00 -1.26 -5.58 3.58 -1.86 -3.42 116.42 105.01 1okd h ASP 144 Ca -0.24 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.60 1okd h ASP 144 Cb 0.79 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.82 1okd h ASP 144 CO 0.15 0.00 1.50 0.00 -2.88 0.00 0.00 179.24 178.00 1okd n ALA 145 N -2.11 1.12 -2.14 -0.78 0.00 -1.26 -4.86 120.51 110.48 1okd n ALA 145 Ca -0.02 -0.25 -0.40 0.00 0.00 0.00 0.00 53.44 52.77 1okd n ALA 145 Cb 0.19 -2.71 -0.03 0.00 0.00 0.00 0.00 19.45 16.90 1okd n ALA 145 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1okd s PRO 146 N 6.79 2.93 0.41 0.00 0.04 -1.26 -4.61 135.00 139.30 1okd s PRO 146 Ca 1.08 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1okd s PRO 146 Cb -0.68 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 29.58 1okd s PRO 146 CO 0.43 -2.37 0.00 1.28 0.04 0.00 0.00 177.00 176.38 1okd n LEU 147 N 11.42 0.00 -3.84 -3.56 4.77 -1.26 -4.62 117.00 119.91 1okd n LEU 147 Ca 0.18 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.06 1okd n LEU 147 Cb 0.50 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1okd n LEU 147 CO 0.71 0.00 0.49 -1.83 -1.33 0.00 0.00 177.39 175.43 1okd s GLU 148 N 0.00 2.23 0.00 3.23 -1.05 -1.26 -5.16 118.70 116.69 1okd s GLU 148 Ca 0.00 -1.50 0.00 0.00 -0.15 0.00 0.00 54.97 53.32 1okd s GLU 148 Cb 0.00 0.61 0.00 0.00 -0.44 0.00 0.00 34.13 34.30 1okd s GLU 148 CO 0.00 -1.03 0.00 0.72 0.95 0.00 0.00 175.26 175.90