#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 0.23 5.00 0.00 -1.82 -3.26 103.07 103.22 1okd h GLY 3 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.55 1okd h GLY 3 CO 0.00 0.00 0.67 1.41 0.00 0.00 0.00 176.54 178.62 1okd h LEU 4 N 0.00 0.00 -0.38 3.11 -0.00 -1.86 0.23 115.31 116.40 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 1.33 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.95 1okd h LEU 4 CO 0.06 0.00 0.17 0.44 -0.00 0.00 0.00 178.44 179.12 1okd h ASP 5 N 0.00 0.24 0.60 -0.43 5.19 -1.58 0.32 116.42 120.77 1okd h ASP 5 Ca 0.36 0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 56.74 1okd h ASP 5 Cb 1.70 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 41.19 1okd h ASP 5 CO -0.00 0.18 -0.25 0.07 -3.12 0.00 0.00 179.24 176.12 1okd h LYS 6 N 0.36 0.00 0.10 3.56 2.10 -1.20 -3.28 116.57 118.21 1okd h LYS 6 Ca 0.16 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.81 1okd h LYS 6 Cb 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 1okd h LYS 6 CO -0.13 0.25 -0.05 1.88 -2.00 0.00 0.00 179.45 179.40 1okd h TYR 7 N 0.00 -0.12 0.00 0.07 0.05 -1.08 -3.50 116.97 112.40 1okd h TYR 7 Ca -0.00 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1okd h TYR 7 Cb 0.61 0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.39 1okd h TYR 7 CO 0.00 -0.08 0.00 -0.11 -1.05 0.00 0.00 178.16 176.92 1okd n LEU 8 N -4.00 -1.66 -4.42 3.88 7.94 0.10 -4.75 117.00 114.09 1okd n LEU 8 Ca -0.02 0.53 -0.57 0.00 -1.11 0.00 0.00 56.01 54.85 1okd n LEU 8 Cb 0.05 1.78 -0.09 0.00 0.53 0.00 0.00 43.42 45.69 1okd n LEU 8 CO 0.04 0.06 1.66 -2.65 -1.11 0.00 0.00 177.39 175.38 1okd n PRO 9 N -2.98 0.55 0.00 1.96 -0.02 -1.01 -2.35 135.00 131.15 1okd n PRO 9 Ca 0.00 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1okd n PRO 9 Cb 0.00 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1okd n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1okd n GLY 10 N 6.43 0.98 3.57 -1.23 0.00 -1.26 -2.99 105.19 110.70 1okd n GLY 10 Ca 0.44 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.31 3.09 0.00 -0.61 1.01 -0.99 -4.61 121.20 118.77 1okd s ILE 11 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.52 1okd s ILE 11 Cb 0.00 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.68 1okd s ILE 11 CO 0.00 -0.17 0.00 -0.62 0.00 0.00 0.00 174.94 174.15 1okd n GLU 12 N 8.39 0.00 -3.79 2.79 4.71 -1.26 -4.55 120.64 126.93 1okd n GLU 12 Ca 0.43 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.49 1okd n GLU 12 Cb 0.46 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.85 1okd n GLU 12 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1okd s LYS 13 N 0.00 1.45 0.34 3.49 1.02 -1.26 -4.31 119.74 120.47 1okd s LYS 13 Ca 0.00 -0.93 0.07 0.00 0.02 0.00 0.00 55.97 55.13 1okd s LYS 13 Cb 0.00 0.53 -0.01 0.00 -0.52 0.00 0.00 37.83 37.82 1okd s LYS 13 CO 0.00 -0.62 0.44 -0.51 -0.92 0.00 0.00 175.35 173.74 1okd s LEU 14 N -2.90 3.92 0.00 3.17 1.43 -0.94 -4.77 118.68 118.60 1okd s LEU 14 Ca 0.11 -0.23 0.29 0.00 -1.03 0.00 0.00 54.13 53.26 1okd s LEU 14 Cb -0.02 -2.68 1.17 0.00 0.03 0.00 0.00 46.19 44.70 1okd s LEU 14 CO -0.00 -0.42 1.81 -1.14 0.23 0.00 0.00 176.35 176.83 1okd n ARG 15 N -1.60 1.57 0.00 1.70 3.00 0.30 -2.34 116.66 119.29 1okd n ARG 15 Ca -0.00 -0.83 0.00 0.00 -0.00 0.00 0.00 57.85 57.02 1okd n ARG 15 Cb 0.58 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.56 1okd n ARG 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1okd n ARG 16 N 0.01 0.00 -3.83 -0.14 0.63 -0.98 -3.52 116.66 108.83 1okd n ARG 16 Ca 0.20 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.76 1okd n ARG 16 Cb 0.32 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.10 1okd n ARG 16 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1okd s GLY 17 N 0.00 1.77 -0.57 5.14 0.00 -1.26 -4.36 107.32 108.04 1okd s GLY 17 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 43.08 1okd s GLY 17 CO 0.00 0.68 0.00 1.34 0.00 0.00 0.00 173.10 175.12 1okd n ASP 18 N 4.75 -5.63 -3.58 1.64 -0.08 -1.26 -4.86 116.55 107.53 1okd n ASP 18 Ca -0.14 0.13 -0.05 0.00 -1.51 0.00 0.00 54.79 53.22 1okd n ASP 18 Cb 0.45 -3.73 -0.02 0.00 2.34 0.00 0.00 41.12 40.17 1okd n ASP 18 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1okd s GLY 19 N -2.13 -0.37 0.12 0.27 0.00 -1.23 -5.17 107.32 98.81 1okd s GLY 19 Ca 0.00 1.08 0.03 0.00 0.00 0.00 0.00 44.72 45.83 1okd s GLY 19 CO 0.00 0.34 0.18 -1.83 0.00 0.00 0.00 173.10 171.79 1okd s GLU 20 N -2.81 3.15 0.10 2.90 1.03 -1.26 -2.32 118.70 119.50 1okd s GLU 20 Ca 0.08 -0.67 -0.01 0.00 0.03 0.00 0.00 54.97 54.41 1okd s GLU 20 Cb -0.00 -2.83 -0.04 0.00 -0.80 0.00 0.00 34.13 30.45 1okd s GLU 20 CO -0.06 0.54 0.02 0.14 -1.33 0.00 0.00 175.26 174.57 1okd s VAL 21 N -1.62 0.19 0.59 1.83 -7.23 -0.99 -4.93 120.40 108.23 1okd s VAL 21 Ca 0.32 -1.88 -0.17 0.00 -1.81 0.00 0.00 61.98 58.45 1okd s VAL 21 Cb -0.11 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 1okd s VAL 21 CO 0.25 -0.68 1.08 -1.61 -0.31 0.00 0.00 175.10 173.84 1okd s GLU 22 N -3.99 3.25 0.40 4.82 0.41 -1.26 -2.21 118.70 120.12 1okd s GLU 22 Ca 0.17 1.37 0.18 0.00 -0.41 0.00 0.00 54.97 56.28 1okd s GLU 22 Cb 0.08 -2.01 0.83 0.00 -1.78 0.00 0.00 34.13 31.24 1okd s GLU 22 CO -0.03 -0.89 1.82 0.28 -0.49 0.00 0.00 175.26 175.95 1okd h VAL 23 N 0.64 0.96 -0.66 2.63 2.07 -1.95 -3.04 116.25 116.90 1okd h VAL 23 Ca -0.48 -1.29 0.19 0.00 0.82 0.00 0.00 66.70 65.95 1okd h VAL 23 Cb 1.24 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.73 1okd h VAL 23 CO 0.57 0.33 0.61 0.50 0.02 0.00 0.00 177.57 179.60 1okd h LYS 24 N 0.00 0.00 0.00 1.57 1.63 -1.94 0.37 116.57 118.20 1okd h LYS 24 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1okd h LYS 24 Cb 0.73 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1okd h LYS 24 CO 0.04 0.00 0.00 0.77 -3.45 0.00 0.00 179.45 176.81 1okd h SER 25 N 0.00 0.00 -1.59 4.20 0.02 -1.93 -2.16 113.55 112.08 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 1.54 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 63.71 1okd h SER 25 CO -0.00 0.00 -0.11 0.18 -1.14 0.00 0.00 176.83 175.75 1okd n LEU 26 N -2.49 5.73 -4.17 5.07 4.77 0.13 -4.92 117.00 121.12 1okd n LEU 26 Ca -0.02 -5.03 -0.40 0.00 -0.03 0.00 0.00 56.01 50.54 1okd n LEU 26 Cb 0.05 -0.66 -0.07 0.00 -2.33 0.00 0.00 43.42 40.41 1okd n LEU 26 CO 0.13 2.05 0.18 0.00 -1.33 0.00 0.00 177.39 178.42 1okd s ALA 27 N -3.72 3.78 0.00 -1.18 0.00 -0.82 -4.52 121.76 115.30 1okd s ALA 27 Ca 0.50 -3.33 0.00 0.00 0.00 0.00 0.00 51.96 49.13 1okd s ALA 27 Cb 0.42 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.59 1okd s ALA 27 CO -0.24 -2.17 0.00 0.41 0.00 0.00 0.00 175.76 173.76 1okd n GLY 28 N 3.56 0.65 3.19 0.00 0.00 -1.26 -4.96 105.19 106.36 1okd n GLY 28 Ca 0.11 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 0.18 0.84 -0.82 1.61 -2.85 -1.26 -4.83 119.74 112.61 1okd s LYS 29 Ca 0.00 -1.15 -0.25 0.00 -1.00 0.00 0.00 55.97 53.57 1okd s LYS 29 Cb 0.00 0.29 0.04 0.00 -2.06 0.00 0.00 37.83 36.10 1okd s LYS 29 CO 0.00 -0.25 1.30 -1.17 0.10 0.00 0.00 175.35 175.34 1okd s LEU 30 N -2.93 3.41 -0.32 2.77 2.96 -1.26 -2.69 118.68 120.62 1okd s LEU 30 Ca 0.11 -0.83 -0.24 0.00 -0.22 0.00 0.00 54.13 52.95 1okd s LEU 30 Cb 0.06 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 44.20 1okd s LEU 30 CO -0.07 -1.69 0.81 -0.69 -1.32 0.00 0.00 176.35 173.39 1okd s VAL 31 N 5.30 4.76 0.25 1.68 1.01 -0.64 -3.19 120.40 129.58 1okd s VAL 31 Ca 0.37 1.17 -0.02 0.00 0.00 0.00 0.00 61.98 63.50 1okd s VAL 31 Cb -0.06 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1okd s VAL 31 CO 0.07 -0.29 0.46 -0.36 0.00 0.00 0.00 175.10 174.97 1okd s PHE 32 N 3.03 3.48 -0.21 5.22 0.08 -0.74 -1.27 117.98 127.56 1okd s PHE 32 Ca 0.33 0.43 -0.05 0.00 0.12 0.00 0.00 56.93 57.76 1okd s PHE 32 Cb -0.14 -1.93 0.07 0.00 -0.57 0.00 0.00 43.02 40.45 1okd s PHE 32 CO 0.13 0.28 0.10 -0.06 -0.10 0.00 0.00 175.22 175.58 1okd s PHE 33 N -2.00 0.24 -0.25 0.36 0.08 0.34 -1.47 117.98 115.28 1okd s PHE 33 Ca 0.40 -0.51 -0.06 0.00 0.12 0.00 0.00 56.93 56.88 1okd s PHE 33 Cb -0.11 -0.76 -0.01 0.00 -0.57 0.00 0.00 43.02 41.57 1okd s PHE 33 CO 0.30 -0.62 0.03 1.52 -0.10 0.00 0.00 175.22 176.35 1okd s TYR 34 N 2.13 3.05 0.00 0.36 -0.85 0.85 -1.08 117.35 121.82 1okd s TYR 34 Ca 0.04 -0.70 -0.21 0.00 -0.52 0.00 0.00 57.07 55.69 1okd s TYR 34 Cb -0.16 -2.20 -0.05 0.00 0.38 0.00 0.00 41.96 39.93 1okd s TYR 34 CO -0.19 -0.46 0.60 -0.06 -1.52 0.00 0.00 175.55 173.92 1okd s PHE 35 N 1.55 3.69 -0.03 -3.49 0.08 -0.02 -2.55 117.98 117.21 1okd s PHE 35 Ca 0.05 1.22 -0.31 0.00 0.12 0.00 0.00 56.93 58.02 1okd s PHE 35 Cb -0.15 -2.61 0.12 0.00 -0.57 0.00 0.00 43.02 39.80 1okd s PHE 35 CO 0.01 0.36 1.22 -1.54 -0.10 0.00 0.00 175.22 175.17 1okd s SER 36 N -0.25 -0.10 0.17 1.36 1.04 -0.33 -1.88 113.70 113.72 1okd s SER 36 Ca 0.31 -0.14 0.07 0.00 0.48 0.00 0.00 55.95 56.68 1okd s SER 36 Cb -0.18 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 1okd s SER 36 CO 0.18 -0.37 -0.15 0.00 0.98 0.00 0.00 173.24 173.88 1okd s ALA 37 N -2.55 1.85 0.11 5.32 0.00 -1.26 0.12 121.76 125.34 1okd s ALA 37 Ca 0.13 -1.53 -0.14 0.00 0.00 0.00 0.00 51.96 50.41 1okd s ALA 37 Cb 0.03 -0.09 -0.07 0.00 0.00 0.00 0.00 23.12 22.99 1okd s ALA 37 CO -0.03 0.09 1.45 0.66 0.00 0.00 0.00 175.76 177.92 1okd h SER 38 N 2.91 0.76 0.09 0.00 4.64 -1.91 -3.02 113.55 117.03 1okd h SER 38 Ca -0.39 -0.45 -0.10 0.00 -0.47 0.00 0.00 61.79 60.38 1okd h SER 38 Cb 1.21 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 1okd h SER 38 CO 0.58 1.05 -0.33 4.11 -0.87 0.00 0.00 176.83 181.36 1okd h TRP 39 N 0.48 0.40 -0.66 4.77 5.08 -1.97 -3.43 115.95 120.64 1okd h TRP 39 Ca 0.06 -0.10 -0.59 0.00 1.08 0.00 0.00 58.89 59.34 1okd h TRP 39 Cb 0.81 -0.10 -0.04 0.00 -3.00 0.00 0.00 29.16 26.83 1okd h TRP 39 CO 0.07 0.65 1.55 0.00 -1.28 0.00 0.00 178.44 179.43 1okd h PRO 41 N 13.07 0.20 0.00 0.00 0.11 -1.87 -0.22 132.00 143.29 1okd h PRO 41 Ca -0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1okd h PRO 41 Cb 1.32 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1okd h PRO 41 CO 1.18 0.14 0.00 -0.35 -0.21 0.00 0.00 178.00 178.75 1okd n PRO 42 N -5.18 0.71 -1.10 1.05 -0.04 -1.26 -3.20 135.00 125.98 1okd n PRO 42 Ca 0.09 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.43 1okd n PRO 42 Cb 0.35 -1.20 0.26 0.00 -0.04 0.00 0.00 33.50 32.87 1okd n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1okd n ARG 44 N -0.53 3.09 -0.41 0.00 1.74 -1.19 -4.47 116.66 114.88 1okd n ARG 44 Ca 0.48 -2.74 0.00 0.00 -0.77 0.00 0.00 57.85 54.82 1okd n ARG 44 Cb 1.50 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 31.15 1okd n ARG 44 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1okd n GLY 45 N -0.21 0.31 0.16 -0.13 0.00 -1.26 -4.91 105.19 99.15 1okd n GLY 45 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.00 0.12 1.61 7.35 -1.26 -4.62 117.46 120.65 1okd n PHE 46 Ca 0.00 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.56 1okd n PHE 46 Cb 0.60 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.37 1okd n PHE 46 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 1okd h THR 47 N 0.00 0.32 0.00 -2.13 1.35 -1.91 -1.07 112.91 109.47 1okd h THR 47 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1okd h THR 47 Cb 1.00 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1okd h THR 47 CO 0.00 0.00 0.00 -0.81 -0.25 0.00 0.00 175.52 174.46 1okd n PRO 48 N -5.42 0.13 0.09 4.72 -0.04 -1.26 -1.70 135.00 131.52 1okd n PRO 48 Ca -0.07 0.58 -0.18 0.00 -0.04 0.00 0.00 63.50 63.80 1okd n PRO 48 Cb 0.33 -1.90 -0.10 0.00 -0.04 0.00 0.00 33.50 31.79 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 0.46 -0.06 0.54 1.08 -1.46 -3.11 115.11 112.56 1okd h GLN 49 Ca 0.00 -0.61 -0.00 0.00 -1.45 0.00 0.00 58.65 56.59 1okd h GLN 49 Cb 0.07 0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1okd h GLN 49 CO 0.00 1.25 0.02 1.25 -0.95 0.00 0.00 178.83 180.40 1okd h LEU 50 N 0.21 0.09 -0.36 1.46 7.12 -1.09 -0.84 115.31 121.90 1okd h LEU 50 Ca -0.14 -0.19 0.05 0.00 0.13 0.00 0.00 57.88 57.73 1okd h LEU 50 Cb 1.82 -0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 41.88 1okd h LEU 50 CO 0.21 0.26 0.08 0.40 -0.13 0.00 0.00 178.44 179.25 1okd h ILE 51 N -0.09 0.83 0.10 4.05 5.03 -1.65 0.97 117.51 126.75 1okd h ILE 51 Ca 0.02 -0.07 -0.00 0.00 -0.12 0.00 0.00 64.86 64.68 1okd h ILE 51 Cb 0.20 0.61 0.00 0.00 -3.03 0.00 0.00 36.82 34.60 1okd h ILE 51 CO -0.00 0.04 -0.05 -0.33 -0.68 0.00 0.00 178.15 177.13 1okd h GLU 52 N 0.21 -0.12 0.00 2.37 4.39 -1.49 0.84 114.58 120.78 1okd h GLU 52 Ca 0.17 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.85 1okd h GLU 52 Cb 0.19 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1okd h GLU 52 CO -0.22 0.07 -0.16 0.35 -1.16 0.00 0.00 179.01 177.90 1okd h PHE 53 N -0.30 0.00 0.00 4.33 3.57 -0.88 -1.77 116.94 121.89 1okd h PHE 53 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1okd h PHE 53 Cb 0.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1okd h PHE 53 CO -0.02 0.16 -0.04 -0.92 -2.23 0.00 0.00 178.31 175.26 1okd h TYR 54 N 0.00 0.00 -0.29 0.41 3.20 0.14 -3.36 116.97 117.07 1okd h TYR 54 Ca -0.00 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.95 1okd h TYR 54 Cb 0.32 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1okd h TYR 54 CO 0.00 0.00 0.29 0.22 -1.64 0.00 0.00 178.16 177.03 1okd h ASP 55 N -0.85 0.00 -0.42 -2.11 1.82 0.69 0.87 116.42 116.42 1okd h ASP 55 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1okd h ASP 55 Cb 0.04 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.03 1okd h ASP 55 CO 0.00 0.00 0.22 0.07 -1.61 0.00 0.00 179.24 177.92 1okd h LYS 56 N 0.00 0.59 0.00 0.28 2.10 -1.46 -3.37 116.57 114.70 1okd h LYS 56 Ca 0.14 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 1okd h LYS 56 Cb 0.71 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1okd h LYS 56 CO -0.00 0.49 0.00 0.34 -2.00 0.00 0.00 179.45 178.28 1okd n PHE 57 N -4.70 0.00 -0.04 0.07 7.35 -1.02 -4.81 117.46 114.30 1okd n PHE 57 Ca 0.00 -0.06 0.25 0.00 -0.76 0.00 0.00 57.45 56.88 1okd n PHE 57 Cb 0.09 -0.01 0.69 0.00 0.35 0.00 0.00 39.48 40.61 1okd n PHE 57 CO 0.00 0.00 0.00 1.12 -0.76 0.00 0.00 176.76 177.12 1okd h HIS 58 N 0.00 0.00 0.00 -5.13 2.07 0.60 0.95 115.15 113.65 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 0.52 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.50 1okd h HIS 58 CO 0.00 0.00 -0.00 0.93 -3.07 0.00 0.00 177.93 175.79 1okd h GLU 59 N 0.00 -0.00 0.00 5.12 3.07 -1.84 0.48 114.58 121.41 1okd h GLU 59 Ca 0.32 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.92 1okd h GLU 59 Cb 1.64 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.51 1okd h GLU 59 CO -0.00 0.24 -1.47 0.77 -1.40 0.00 0.00 179.01 177.15 1okd h SER 60 N -0.24 0.00 0.97 1.42 0.02 -1.34 -3.32 113.55 111.06 1okd h SER 60 Ca -0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1okd h SER 60 Cb 0.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1okd h SER 60 CO 0.00 0.97 -0.30 0.11 -1.14 0.00 0.00 176.83 176.46 1okd h LYS 61 N 0.00 0.00 -6.79 3.45 1.57 0.79 -3.47 116.57 112.12 1okd h LYS 61 Ca -0.19 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.03 1okd h LYS 61 Cb 1.91 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 34.12 1okd h LYS 61 CO 0.09 0.30 -0.95 0.27 -0.57 0.00 0.00 179.45 178.60 1okd n ASN 62 N -3.42 -0.82 -4.53 0.86 0.23 0.16 -4.90 115.26 102.83 1okd n ASN 62 Ca 0.00 -1.17 -0.25 0.00 -0.53 0.00 0.00 54.58 52.63 1okd n ASN 62 Cb 0.49 -2.26 -0.10 0.00 -2.08 0.00 0.00 39.78 35.83 1okd n ASN 62 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 1okd s PHE 63 N -4.03 2.20 -0.04 -2.53 0.08 -1.26 -4.54 117.98 107.87 1okd s PHE 63 Ca 0.12 -0.84 -0.04 0.00 0.12 0.00 0.00 56.93 56.29 1okd s PHE 63 Cb -0.06 -1.52 0.01 0.00 -0.57 0.00 0.00 43.02 40.88 1okd s PHE 63 CO 0.95 0.20 0.11 -2.00 -0.10 0.00 0.00 175.22 174.38 1okd s GLU 64 N -3.80 0.15 -0.12 0.44 2.56 -1.19 -4.97 118.70 111.75 1okd s GLU 64 Ca 0.33 0.12 0.00 0.00 0.00 0.00 0.00 54.97 55.42 1okd s GLU 64 Cb 0.09 0.07 -0.01 0.00 2.00 0.00 0.00 34.13 36.27 1okd s GLU 64 CO 0.16 -0.02 -0.13 0.08 -0.56 0.00 0.00 175.26 174.78 1okd s VAL 65 N -0.03 3.03 -0.12 3.70 1.01 -1.26 -1.79 120.40 124.93 1okd s VAL 65 Ca -0.01 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 1okd s VAL 65 Cb -0.01 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1okd s VAL 65 CO 0.00 0.53 0.13 -0.69 0.00 0.00 0.00 175.10 175.07 1okd s VAL 66 N 0.29 5.41 -0.48 2.92 1.01 -0.54 -1.75 120.40 127.26 1okd s VAL 66 Ca -0.10 0.17 -0.28 0.00 0.00 0.00 0.00 61.98 61.77 1okd s VAL 66 Cb -0.16 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 32.89 1okd s VAL 66 CO 0.06 0.61 1.09 0.12 0.00 0.00 0.00 175.10 176.97 1okd s PHE 67 N -0.91 2.82 -0.42 5.22 2.19 0.19 -3.78 117.98 123.29 1okd s PHE 67 Ca 0.14 0.61 -0.13 0.00 0.33 0.00 0.00 56.93 57.89 1okd s PHE 67 Cb -0.12 -4.34 0.05 0.00 -1.31 0.00 0.00 43.02 37.30 1okd s PHE 67 CO 0.03 -1.26 0.29 0.00 1.83 0.00 0.00 175.22 176.12 1okd s THR 69 N 1.57 4.68 -0.24 0.00 -1.32 -1.25 -1.19 115.64 117.88 1okd s THR 69 Ca 0.03 0.54 0.21 0.00 -1.21 0.00 0.00 61.69 61.26 1okd s THR 69 Cb -0.22 -3.83 0.47 0.00 -1.51 0.00 0.00 72.50 67.41 1okd s THR 69 CO 0.06 -0.97 1.20 0.79 -2.21 0.00 0.00 174.62 173.49 1okd n TRP 70 N -2.55 0.43 -1.84 9.09 7.02 0.33 -4.60 117.44 125.32 1okd n TRP 70 Ca 0.04 -1.82 -0.30 0.00 -1.02 0.00 0.00 57.50 54.39 1okd n TRP 70 Cb 0.55 0.15 0.05 0.00 -2.42 0.00 0.00 31.31 29.64 1okd n TRP 70 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 1okd s ASP 71 N -3.00 5.30 -0.11 -0.99 -4.77 -1.26 -4.56 116.67 107.28 1okd s ASP 71 Ca 0.23 1.15 0.12 0.00 -3.30 0.00 0.00 52.55 50.75 1okd s ASP 71 Cb 0.34 -1.93 -0.16 0.00 -1.09 0.00 0.00 42.92 40.08 1okd s ASP 71 CO -0.07 -1.44 0.09 -1.84 0.70 0.00 0.00 175.17 172.61 1okd n GLU 72 N -3.07 1.69 -4.57 2.11 0.28 -1.26 -5.03 120.64 110.79 1okd n GLU 72 Ca 0.07 -0.03 -0.26 0.00 -0.16 0.00 0.00 57.16 56.78 1okd n GLU 72 Cb 0.57 -1.32 -0.11 0.00 1.43 0.00 0.00 31.44 32.01 1okd n GLU 72 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1okd s GLU 73 N -2.41 1.86 0.07 3.44 2.56 -1.26 -5.06 118.70 117.91 1okd s GLU 73 Ca -0.06 -2.02 -0.15 0.00 0.00 0.00 0.00 54.97 52.73 1okd s GLU 73 Cb 0.05 -1.52 -0.16 0.00 2.00 0.00 0.00 34.13 34.49 1okd s GLU 73 CO 0.52 -0.02 1.28 1.05 -0.56 0.00 0.00 175.26 177.54 1okd h GLU 74 N 1.91 0.66 -0.07 4.30 -0.00 -2.01 -3.11 114.58 116.26 1okd h GLU 74 Ca -0.43 -0.52 0.02 0.00 -0.00 0.00 0.00 59.36 58.44 1okd h GLU 74 Cb 1.24 0.10 -0.00 0.00 -0.00 0.00 0.00 28.75 30.09 1okd h GLU 74 CO 0.76 1.13 0.23 0.22 -0.00 0.00 0.00 179.01 181.36 1okd h ASP 75 N 0.34 0.00 0.20 3.06 1.82 -1.99 -1.71 116.42 118.13 1okd h ASP 75 Ca -0.03 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.60 1okd h ASP 75 Cb 1.23 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.24 1okd h ASP 75 CO 0.12 0.00 -0.10 1.23 -1.61 0.00 0.00 179.24 178.89 1okd h GLY 76 N 0.00 -0.28 2.00 -0.78 0.00 -1.96 -3.18 103.07 98.87 1okd h GLY 76 Ca 0.03 0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 1okd h GLY 76 CO -0.00 -0.10 -0.21 -2.75 0.00 0.00 0.00 176.54 173.48 1okd h PHE 77 N -0.96 0.00 0.36 5.60 3.57 -1.59 -3.04 116.94 120.87 1okd h PHE 77 Ca -0.03 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1okd h PHE 77 Cb 0.46 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1okd h PHE 77 CO 0.06 0.21 -0.18 0.00 -2.23 0.00 0.00 178.31 176.18 1okd h ALA 78 N 1.79 -0.49 0.00 2.41 0.00 -1.40 0.19 119.26 121.77 1okd h ALA 78 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1okd h ALA 78 Cb 0.47 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1okd h ALA 78 CO 0.03 -0.78 0.00 0.41 0.00 0.00 0.00 179.25 178.91 1okd n GLY 79 N -1.30 -1.01 0.77 0.00 0.00 -1.18 -0.08 105.19 102.38 1okd n GLY 79 Ca -0.10 0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.23 0.00 0.14 1.61 9.36 -0.06 -4.39 117.16 121.59 1okd n TYR 80 Ca -0.00 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.28 1okd n TYR 80 Cb 0.11 -0.00 0.32 0.00 -0.63 0.00 0.00 39.34 39.13 1okd n TYR 80 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1okd n PHE 81 N 0.87 0.40 0.19 2.98 -0.00 0.88 -2.55 117.46 120.24 1okd n PHE 81 Ca 0.15 0.21 0.13 0.00 -0.00 0.00 0.00 57.45 57.94 1okd n PHE 81 Cb 0.51 -0.64 0.43 0.00 -0.00 0.00 0.00 39.48 39.79 1okd n PHE 81 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1okd h ALA 82 N 1.22 2.00 -0.05 3.13 0.00 -1.80 -3.46 119.26 120.32 1okd h ALA 82 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1okd h ALA 82 Cb 0.55 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1okd h ALA 82 CO 0.00 -0.90 0.00 1.63 0.00 0.00 0.00 179.25 179.98 1okd n LYS 83 N -2.93 0.00 -0.75 0.00 5.02 -1.05 -4.85 118.16 113.60 1okd n LYS 83 Ca 0.05 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.04 1okd n LYS 83 Cb 0.86 0.00 0.18 0.00 -0.02 0.00 0.00 35.03 36.05 1okd n LYS 83 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1okd s MET 84 N 0.00 0.67 0.28 1.97 -1.94 -1.26 -4.62 119.30 114.41 1okd s MET 84 Ca 0.00 1.29 0.11 0.00 -1.71 0.00 0.00 55.69 55.38 1okd s MET 84 Cb 0.00 -1.71 0.93 0.00 2.01 0.00 0.00 34.83 36.06 1okd s MET 84 CO 0.00 -2.78 1.29 -2.30 -0.01 0.00 0.00 175.02 171.22 1okd n PRO 85 N -4.31 -0.06 -0.85 2.03 -0.01 -1.26 -4.50 135.00 126.04 1okd n PRO 85 Ca 0.09 1.17 -0.34 0.00 -0.01 0.00 0.00 63.50 64.40 1okd n PRO 85 Cb 0.53 -2.00 0.10 0.00 -0.01 0.00 0.00 33.50 32.12 1okd n PRO 85 CO 0.00 0.00 0.00 -2.67 -0.01 0.00 0.00 175.50 172.82 1okd n TRP 86 N -4.97 -2.47 -2.77 6.00 2.14 -1.26 -4.17 117.44 109.94 1okd n TRP 86 Ca 0.27 0.19 -0.32 0.00 2.07 0.00 0.00 57.50 59.71 1okd n TRP 86 Cb 0.90 -1.60 -0.04 0.00 -0.81 0.00 0.00 31.31 29.76 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 2.37 3.83 0.06 5.67 1.43 -0.72 -4.28 118.68 127.04 1okd s LEU 87 Ca 0.50 1.36 -0.03 0.00 -1.03 0.00 0.00 54.13 54.93 1okd s LEU 87 Cb -0.15 -4.24 -0.03 0.00 0.03 0.00 0.00 46.19 41.80 1okd s LEU 87 CO 0.71 -0.41 0.02 0.00 0.23 0.00 0.00 176.35 176.90 1okd s ALA 88 N -2.35 0.37 -0.22 4.21 0.00 -1.26 0.54 121.76 123.06 1okd s ALA 88 Ca 0.55 -1.10 -0.16 0.00 0.00 0.00 0.00 51.96 51.26 1okd s ALA 88 Cb -0.10 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 1okd s ALA 88 CO 0.26 -0.40 0.39 0.08 0.00 0.00 0.00 175.76 176.09 1okd s VAL 89 N -3.91 5.19 0.55 0.00 1.01 -1.24 0.11 120.40 122.11 1okd s VAL 89 Ca 0.07 0.67 -0.21 0.00 0.00 0.00 0.00 61.98 62.51 1okd s VAL 89 Cb 0.07 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1okd s VAL 89 CO -0.10 0.23 1.21 -0.81 0.00 0.00 0.00 175.10 175.63 1okd n PRO 90 N 4.69 1.40 -0.34 2.72 -0.04 -1.26 -4.76 135.00 137.41 1okd n PRO 90 Ca -0.08 0.52 0.35 0.00 -0.04 0.00 0.00 63.50 64.25 1okd n PRO 90 Cb 0.51 -2.40 0.74 0.00 -0.04 0.00 0.00 33.50 32.31 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 1.13 0.05 -0.89 0.54 3.57 -1.99 0.25 116.94 119.60 1okd h PHE 91 Ca -0.49 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.15 1okd h PHE 91 Cb 1.33 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.98 1okd h PHE 91 CO 0.43 0.00 0.57 0.00 -2.23 0.00 0.00 178.31 177.08 1okd h ALA 92 N 1.41 1.85 -0.35 2.41 0.00 -2.03 -1.24 119.26 121.30 1okd h ALA 92 Ca 0.59 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.41 1okd h ALA 92 Cb 2.29 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.89 1okd h ALA 92 CO -0.03 -0.09 0.01 1.04 0.00 0.00 0.00 179.25 180.18 1okd n GLN 93 N -4.56 2.47 0.24 0.00 1.13 0.87 -4.61 117.38 112.92 1okd n GLN 93 Ca 0.17 -3.00 0.08 0.00 -1.94 0.00 0.00 57.00 52.32 1okd n GLN 93 Cb 0.48 -1.86 0.61 0.00 0.11 0.00 0.00 30.24 29.57 1okd n GLN 93 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1okd h SER 94 N 1.45 0.00 -0.91 1.08 4.64 -1.03 -2.28 113.55 116.50 1okd h SER 94 Ca 0.13 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.58 1okd h SER 94 Cb 1.63 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.64 1okd h SER 94 CO 0.35 0.12 0.53 1.05 -0.87 0.00 0.00 176.83 178.01 1okd h GLU 95 N 0.00 0.79 -1.00 4.77 4.11 -1.81 -0.29 114.58 121.13 1okd h GLU 95 Ca -0.00 -0.05 0.16 0.00 0.07 0.00 0.00 59.36 59.54 1okd h GLU 95 Cb 0.23 -0.18 -0.10 0.00 0.50 0.00 0.00 28.75 29.21 1okd h GLU 95 CO 0.02 0.52 0.62 0.00 0.07 0.00 0.00 179.01 180.24 1okd h ALA 96 N 1.53 1.61 -0.45 1.06 0.00 -1.78 0.12 119.26 121.36 1okd h ALA 96 Ca 0.47 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.49 1okd h ALA 96 Cb 0.54 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1okd h ALA 96 CO -0.30 0.06 0.30 0.28 0.00 0.00 0.00 179.25 179.60 1okd h VAL 97 N 0.86 0.97 -0.10 0.00 2.07 -1.17 1.52 116.25 120.39 1okd h VAL 97 Ca 0.55 -0.13 -0.15 0.00 0.82 0.00 0.00 66.70 67.79 1okd h VAL 97 Cb 0.73 0.56 0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1okd h VAL 97 CO -0.33 0.07 -0.50 1.56 0.02 0.00 0.00 177.57 178.38 1okd h GLN 98 N 0.37 0.52 0.08 1.57 1.08 -0.77 -1.19 115.11 116.77 1okd h GLN 98 Ca 0.20 -0.42 -0.28 0.00 -1.45 0.00 0.00 58.65 56.69 1okd h GLN 98 Cb 0.31 0.09 0.02 0.00 -0.05 0.00 0.00 27.48 27.85 1okd h GLN 98 CO -0.05 1.05 -1.16 0.87 -0.95 0.00 0.00 178.83 178.60 1okd h LYS 99 N 0.12 0.57 -0.23 1.46 1.79 -0.88 -3.24 116.57 116.15 1okd h LYS 99 Ca -0.03 -0.72 -0.09 0.00 -2.18 0.00 0.00 60.65 57.63 1okd h LYS 99 Cb 1.15 0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 32.01 1okd h LYS 99 CO 0.10 1.31 -0.24 1.25 -1.08 0.00 0.00 179.45 180.79 1okd h LEU 100 N 0.27 0.42 -0.98 2.94 5.85 0.20 -2.83 115.31 121.19 1okd h LEU 100 Ca -0.15 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.49 1okd h LEU 100 Cb 1.83 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.68 1okd h LEU 100 CO 0.22 0.67 0.63 -1.28 -0.34 0.00 0.00 178.44 178.33 1okd h SER 101 N 0.38 1.02 0.26 1.25 0.87 -1.24 -0.54 113.55 115.55 1okd h SER 101 Ca 0.06 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1okd h SER 101 Cb 0.63 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 1okd h SER 101 CO 0.04 0.66 -0.20 0.11 -0.53 0.00 0.00 176.83 176.92 1okd h LYS 102 N 1.16 0.00 0.00 2.24 1.79 -1.55 -2.04 116.57 118.17 1okd h LYS 102 Ca 0.41 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.79 1okd h LYS 102 Cb 0.13 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1okd h LYS 102 CO -0.16 0.20 -0.47 1.25 -1.08 0.00 0.00 179.45 179.19 1okd h HIS 103 N 0.00 0.00 -0.43 -1.35 2.76 -1.10 -2.74 115.15 112.29 1okd h HIS 103 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1okd h HIS 103 Cb 0.38 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.34 1okd h HIS 103 CO 0.00 0.47 0.00 1.19 -1.30 0.00 0.00 177.93 178.29 1okd n PHE 104 N -3.77 1.30 -3.82 5.26 3.72 -0.78 -4.91 117.46 114.45 1okd n PHE 104 Ca -0.01 -0.47 -0.29 0.00 -0.05 0.00 0.00 57.45 56.63 1okd n PHE 104 Cb 0.52 -0.30 -0.04 0.00 -0.94 0.00 0.00 39.48 38.72 1okd n PHE 104 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1okd n ASN 105 N 0.58 -2.44 -4.55 4.37 6.94 -1.03 -4.80 115.26 114.33 1okd n ASN 105 Ca 0.19 -0.67 -0.38 0.00 -0.02 0.00 0.00 54.58 53.70 1okd n ASN 105 Cb 0.81 -2.08 -0.03 0.00 -2.36 0.00 0.00 39.78 36.12 1okd n ASN 105 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1okd s VAL 106 N -2.95 3.37 0.17 3.53 1.01 -1.11 -4.84 120.40 119.57 1okd s VAL 106 Ca 0.56 0.17 -0.15 0.00 0.00 0.00 0.00 61.98 62.56 1okd s VAL 106 Cb -0.32 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.14 1okd s VAL 106 CO 0.69 -0.93 1.81 -0.08 0.00 0.00 0.00 175.10 176.59 1okd h GLU 107 N 14.64 0.53 -1.77 2.72 4.57 -1.91 -3.46 114.58 129.89 1okd h GLU 107 Ca -0.24 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 57.94 1okd h GLU 107 Cb 1.15 -0.12 -0.21 0.00 -0.16 0.00 0.00 28.75 29.41 1okd h GLU 107 CO 1.22 0.35 0.40 -1.12 -1.18 0.00 0.00 179.01 178.68 1okd s SER 108 N -5.55 -0.49 0.57 1.04 0.01 -1.26 -5.17 113.70 102.85 1okd s SER 108 Ca -0.13 0.51 -0.10 0.00 1.31 0.00 0.00 55.95 57.55 1okd s SER 108 Cb 0.12 0.40 -0.04 0.00 0.21 0.00 0.00 66.02 66.71 1okd s SER 108 CO 0.73 -0.46 0.95 0.27 0.41 0.00 0.00 173.24 175.14 1okd s ILE 109 N -1.22 4.75 0.43 1.44 -5.25 -1.26 -4.54 121.20 115.55 1okd s ILE 109 Ca -0.05 0.72 -0.04 0.00 -0.99 0.00 0.00 60.65 60.28 1okd s ILE 109 Cb -0.00 -3.85 -0.04 0.00 2.95 0.00 0.00 42.46 41.52 1okd s ILE 109 CO 0.05 -1.01 0.71 -2.16 -1.79 0.00 0.00 174.94 170.73 1okd s PRO 110 N -4.93 3.56 0.20 0.37 0.04 -1.26 -5.08 135.00 127.89 1okd s PRO 110 Ca 0.53 0.08 -0.10 0.00 0.04 0.00 0.00 61.00 61.56 1okd s PRO 110 Cb -0.11 -2.46 -0.01 0.00 0.04 0.00 0.00 34.50 31.96 1okd s PRO 110 CO 0.49 -0.08 0.36 -0.08 0.04 0.00 0.00 177.00 177.73 1okd s THR 111 N -2.56 0.03 -0.12 1.26 -1.32 -0.79 -4.98 115.64 107.16 1okd s THR 111 Ca 0.46 -1.44 -0.06 0.00 -1.21 0.00 0.00 61.69 59.44 1okd s THR 111 Cb -0.10 -2.06 0.05 0.00 -1.51 0.00 0.00 72.50 68.88 1okd s THR 111 CO 0.40 -0.13 0.27 -0.22 -2.21 0.00 0.00 174.62 172.74 1okd s LEU 112 N -3.01 0.16 0.00 9.08 2.96 -1.26 -0.84 118.68 125.77 1okd s LEU 112 Ca 0.22 0.59 0.02 0.00 -0.22 0.00 0.00 54.13 54.74 1okd s LEU 112 Cb 0.02 0.81 -0.01 0.00 0.50 0.00 0.00 46.19 47.51 1okd s LEU 112 CO 0.05 -0.19 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.21 1okd s ILE 113 N 1.59 0.42 -0.00 6.68 1.01 -0.24 0.11 121.20 130.77 1okd s ILE 113 Ca -0.07 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.26 1okd s ILE 113 Cb -0.11 -0.39 -0.03 0.00 0.01 0.00 0.00 42.46 41.95 1okd s ILE 113 CO -0.09 0.02 -0.15 -0.83 0.00 0.00 0.00 174.94 173.89 1okd s GLY 114 N -0.38 1.58 0.17 6.18 0.00 -1.26 0.13 107.32 113.74 1okd s GLY 114 Ca -0.00 -1.08 0.03 0.00 0.00 0.00 0.00 44.72 43.66 1okd s GLY 114 CO -0.00 -0.93 -0.03 -1.34 0.00 0.00 0.00 173.10 170.80 1okd s VAL 115 N -0.86 0.87 -0.34 1.40 -7.23 -0.40 -1.11 120.40 112.74 1okd s VAL 115 Ca 0.14 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.21 1okd s VAL 115 Cb -0.11 -2.04 0.01 0.00 0.56 0.00 0.00 36.38 34.81 1okd s VAL 115 CO 0.04 -0.56 0.15 -1.81 -0.31 0.00 0.00 175.10 172.61 1okd s ASP 116 N -3.18 5.51 0.11 4.85 1.11 -1.17 -1.62 116.67 122.29 1okd s ASP 116 Ca 0.22 -0.81 -0.17 0.00 0.18 0.00 0.00 52.55 51.97 1okd s ASP 116 Cb 0.05 -1.97 -0.04 0.00 1.07 0.00 0.00 42.92 42.03 1okd s ASP 116 CO 0.03 -0.28 1.58 0.00 1.18 0.00 0.00 175.17 177.68 1okd h ALA 117 N 8.35 0.45 -0.77 5.23 0.00 -1.85 0.55 119.26 131.22 1okd h ALA 117 Ca -0.28 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 1okd h ALA 117 Cb 1.12 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1okd h ALA 117 CO 0.63 0.16 0.33 0.22 0.00 0.00 0.00 179.25 180.59 1okd h ASP 118 N 0.39 1.04 0.04 0.00 3.58 -1.88 -3.08 116.42 116.52 1okd h ASP 118 Ca 0.10 -0.15 -0.17 0.00 0.42 0.00 0.00 57.03 57.23 1okd h ASP 118 Cb 0.38 -0.27 0.02 0.00 1.72 0.00 0.00 39.33 41.17 1okd h ASP 118 CO 0.01 0.91 -0.70 0.28 -2.88 0.00 0.00 179.24 176.87 1okd h SER 119 N 1.12 0.54 -1.00 2.28 0.02 -1.92 -3.41 113.55 111.18 1okd h SER 119 Ca 0.26 -0.81 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1okd h SER 119 Cb 0.18 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1okd h SER 119 CO -0.02 1.29 0.00 0.61 -1.14 0.00 0.00 176.83 177.57 1okd n GLY 120 N 1.24 0.89 3.51 -3.77 0.00 0.19 -4.46 105.19 102.79 1okd n GLY 120 Ca -0.11 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 1okd n GLY 120 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1okd s ASP 121 N -2.85 -0.57 0.05 1.61 1.47 -1.21 -4.25 116.67 110.92 1okd s ASP 121 Ca 0.00 0.46 -0.30 0.00 1.18 0.00 0.00 52.55 53.89 1okd s ASP 121 Cb 0.00 0.50 -0.08 0.00 -0.34 0.00 0.00 42.92 43.00 1okd s ASP 121 CO 0.00 -0.64 1.68 -0.69 0.68 0.00 0.00 175.17 176.19 1okd s VAL 122 N -1.86 3.11 -0.17 2.11 1.01 -1.26 -3.04 120.40 120.30 1okd s VAL 122 Ca -0.06 0.48 0.10 0.00 0.00 0.00 0.00 61.98 62.51 1okd s VAL 122 Cb -0.00 -3.31 -0.17 0.00 0.00 0.00 0.00 36.38 32.89 1okd s VAL 122 CO 0.02 -0.01 -0.01 0.52 0.00 0.00 0.00 175.10 175.62 1okd n VAL 123 N 4.89 1.09 -4.32 2.92 0.31 -1.20 -4.96 118.33 117.08 1okd n VAL 123 Ca 0.16 -0.60 -0.18 0.00 -0.01 0.00 0.00 64.34 63.72 1okd n VAL 123 Cb 0.41 -0.76 -0.10 0.00 -0.91 0.00 0.00 33.84 32.47 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 -2.38 1.59 -0.33 2.52 -4.23 -0.27 -3.98 115.64 108.56 1okd s THR 124 Ca -0.13 -2.14 0.15 0.00 -1.18 0.00 0.00 61.69 58.38 1okd s THR 124 Cb 0.05 -1.96 0.43 0.00 1.34 0.00 0.00 72.50 72.36 1okd s THR 124 CO 0.59 -0.61 1.46 0.35 -0.54 0.00 0.00 174.62 175.87 1okd n THR 125 N -0.26 0.23 -2.40 3.99 -2.24 -1.26 -3.99 114.28 108.35 1okd n THR 125 Ca -0.09 -1.38 -0.01 0.00 -2.27 0.00 0.00 64.05 60.31 1okd n THR 125 Cb 0.60 1.05 0.02 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 -1.34 0.27 0.00 -0.78 0.00 -1.24 -4.99 116.66 108.58 1okd n ARG 126 Ca -0.13 -0.28 0.09 0.00 -0.00 0.00 0.00 57.85 57.54 1okd n ARG 126 Cb 0.86 0.16 0.47 0.00 -0.00 0.00 0.00 32.46 33.96 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 -0.31 2.00 -0.08 2.89 0.00 0.30 -3.08 120.51 122.23 1okd n ALA 127 Ca -0.05 -0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.20 1okd n ALA 127 Cb 0.55 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 1okd n ALA 127 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1okd h ARG 128 N 0.00 0.40 0.00 0.00 1.12 -1.82 -1.83 114.38 112.24 1okd h ARG 128 Ca 0.00 -0.08 -0.07 0.00 -1.11 0.00 0.00 59.98 58.72 1okd h ARG 128 Cb 0.16 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.05 1okd h ARG 128 CO 0.00 0.45 -0.47 0.00 -3.11 0.00 0.00 179.97 176.84 1okd h ALA 129 N 0.93 0.08 -0.26 2.80 0.00 -1.89 -3.34 119.26 117.58 1okd h ALA 129 Ca 0.08 -0.63 0.07 0.00 0.00 0.00 0.00 54.91 54.44 1okd h ALA 129 Cb 0.21 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1okd h ALA 129 CO -0.00 0.30 0.32 1.79 0.00 0.00 0.00 179.25 181.65 1okd h THR 130 N -1.00 0.37 -0.02 0.00 1.35 -1.65 1.14 112.91 113.10 1okd h THR 130 Ca -0.11 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 65.57 1okd h THR 130 Cb 0.84 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.99 1okd h THR 130 CO -0.07 0.00 -0.78 0.25 -0.25 0.00 0.00 175.52 174.67 1okd h LEU 131 N 0.00 0.24 0.11 3.87 6.46 -1.48 -1.93 115.31 122.58 1okd h LEU 131 Ca 0.12 -0.17 -0.36 0.00 -0.12 0.00 0.00 57.88 57.35 1okd h LEU 131 Cb 0.75 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.59 1okd h LEU 131 CO -0.00 0.92 -1.96 0.52 -0.62 0.00 0.00 178.44 177.30 1okd n VAL 132 N -3.72 1.77 -0.49 1.05 0.31 0.10 -4.21 118.33 113.14 1okd n VAL 132 Ca -0.03 -0.67 0.02 0.00 -0.01 0.00 0.00 64.34 63.65 1okd n VAL 132 Cb 0.74 -1.66 0.29 0.00 -0.91 0.00 0.00 33.84 32.29 1okd n VAL 132 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1okd n LYS 133 N -3.44 3.72 -2.95 5.55 5.02 0.36 -4.43 118.16 121.98 1okd n LYS 133 Ca -0.30 -2.40 -0.15 0.00 -2.02 0.00 0.00 58.31 53.44 1okd n LYS 133 Cb 1.05 -2.07 0.01 0.00 -0.02 0.00 0.00 35.03 34.00 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 0.31 -1.26 -0.43 4.39 2.03 -0.72 -4.89 116.55 115.97 1okd n ASP 134 Ca 0.25 -3.13 0.02 0.00 0.52 0.00 0.00 54.79 52.44 1okd n ASP 134 Cb 1.04 0.69 0.06 0.00 -0.72 0.00 0.00 41.12 42.18 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 1.16 1.43 -0.05 -0.67 -0.04 -1.26 -3.39 135.00 132.18 1okd n PRO 135 Ca 0.15 -0.47 0.01 0.00 -0.04 0.00 0.00 63.50 63.14 1okd n PRO 135 Cb 0.61 -1.31 -0.15 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.04 0.77 -2.25 0.54 1.02 -1.26 -4.99 120.64 114.43 1okd n GLU 136 Ca 0.04 -0.10 -0.15 0.00 -0.02 0.00 0.00 57.16 56.94 1okd n GLU 136 Cb 0.23 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.16 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 1.59 -0.17 0.16 0.62 0.00 -1.22 -4.89 105.19 101.29 1okd n GLY 137 Ca -0.17 -0.27 0.03 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.11 1.61 5.08 -1.94 -3.29 114.58 115.93 1okd h GLU 138 Ca -0.35 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.85 1okd h GLU 138 Cb 1.25 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.22 1okd h GLU 138 CO 0.41 0.47 -0.87 1.04 -1.00 0.00 0.00 179.01 179.06 1okd n GLN 139 N -3.48 0.95 -0.15 2.33 6.02 -1.26 -4.96 117.38 116.83 1okd n GLN 139 Ca 0.00 -2.74 0.06 0.00 -0.01 0.00 0.00 57.00 54.32 1okd n GLN 139 Cb 0.60 -0.85 0.12 0.00 1.02 0.00 0.00 30.24 31.13 1okd n GLN 139 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 1okd n PHE 140 N -0.21 0.27 0.13 1.08 -1.74 -1.24 0.36 117.46 116.11 1okd n PHE 140 Ca 0.13 0.53 0.01 0.00 -0.56 0.00 0.00 57.45 57.56 1okd n PHE 140 Cb 0.96 -0.82 0.03 0.00 1.52 0.00 0.00 39.48 41.17 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 -4.50 0.06 -0.93 3.97 -0.04 -1.26 -4.79 135.00 127.51 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 0.33 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.78 0.00 -2.49 0.54 8.01 1.12 -4.39 117.44 119.45 1okd n TRP 142 Ca 0.01 0.00 -0.23 0.00 -1.31 0.00 0.00 57.50 55.97 1okd n TRP 142 Cb 0.00 0.00 0.13 0.00 -2.01 0.00 0.00 31.31 29.43 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 -0.21 -0.27 -2.84 -0.99 2.85 -1.26 -4.39 118.16 111.05 1okd n LYS 143 Ca 0.00 -2.52 -0.31 0.00 -1.05 0.00 0.00 58.31 54.43 1okd n LYS 143 Cb 0.00 -0.74 -0.04 0.00 -0.65 0.00 0.00 35.03 33.59 1okd n LYS 143 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1okd s ASP 144 N -5.03 6.63 -0.05 -5.58 -4.77 -1.26 -5.02 116.67 101.59 1okd s ASP 144 Ca 0.65 1.28 -0.10 0.00 -3.30 0.00 0.00 52.55 51.08 1okd s ASP 144 Cb -0.03 -2.38 -0.06 0.00 -1.09 0.00 0.00 42.92 39.36 1okd s ASP 144 CO 0.44 -0.38 0.45 0.00 0.70 0.00 0.00 175.17 176.38 1okd h ALA 145 N 1.49 -0.40 -2.37 2.11 0.00 -1.99 -3.46 119.26 114.64 1okd h ALA 145 Ca -0.47 -0.08 -0.50 0.00 0.00 0.00 0.00 54.91 53.86 1okd h ALA 145 Cb 1.18 0.14 0.11 0.00 0.00 0.00 0.00 17.79 19.23 1okd h ALA 145 CO 0.64 -0.37 0.33 -1.25 0.00 0.00 0.00 179.25 178.60 1okd s PRO 146 N -2.76 2.21 -0.06 0.00 0.04 -1.26 -5.01 135.00 128.17 1okd s PRO 146 Ca -0.05 0.82 0.05 0.00 0.04 0.00 0.00 61.00 61.85 1okd s PRO 146 Cb 0.01 -1.92 0.11 0.00 0.04 0.00 0.00 34.50 32.74 1okd s PRO 146 CO 0.16 -1.58 1.10 1.28 0.04 0.00 0.00 177.00 178.01 1okd n LEU 147 N -3.43 -0.84 -3.64 -3.56 4.77 -1.26 -5.13 117.00 103.91 1okd n LEU 147 Ca 0.07 -2.20 0.00 0.00 -0.03 0.00 0.00 56.01 53.85 1okd n LEU 147 Cb 0.55 0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.65 1okd n LEU 147 CO 0.56 1.43 0.99 -0.70 -1.33 0.00 0.00 177.39 178.34 1okd s GLU 148 N -0.05 0.54 0.00 3.23 2.56 -1.26 -5.28 118.70 118.44 1okd s GLU 148 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 54.97 54.73 1okd s GLU 148 Cb 0.11 0.19 0.00 0.00 2.00 0.00 0.00 34.13 36.43 1okd s GLU 148 CO -0.04 -0.25 0.00 -2.39 -0.56 0.00 0.00 175.26 172.03