#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 0.05 0.89 0.23 0.00 -1.81 -2.96 103.07 99.46 1okd h GLY 3 Ca 0.00 -0.11 0.12 0.00 0.00 0.00 0.00 47.33 47.34 1okd h GLY 3 CO 0.00 0.10 0.44 1.41 0.00 0.00 0.00 176.54 178.49 1okd h LEU 4 N -0.87 0.00 0.00 3.11 4.07 -1.87 0.45 115.31 120.21 1okd h LEU 4 Ca -0.02 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.74 1okd h LEU 4 Cb 1.03 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.74 1okd h LEU 4 CO 0.02 0.00 -1.29 0.44 -1.08 0.00 0.00 178.44 176.53 1okd h ASP 5 N 0.00 0.00 0.05 -0.43 5.19 -1.90 -3.32 116.42 116.01 1okd h ASP 5 Ca 0.19 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.48 1okd h ASP 5 Cb 1.08 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.59 1okd h ASP 5 CO -0.00 0.75 -0.60 0.50 -3.12 0.00 0.00 179.24 176.76 1okd h LYS 6 N 0.00 0.11 -0.95 3.56 1.63 -0.13 -3.30 116.57 117.49 1okd h LYS 6 Ca -0.15 -0.19 0.24 0.00 -0.85 0.00 0.00 60.65 59.70 1okd h LYS 6 Cb 1.70 0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 33.34 1okd h LYS 6 CO 0.07 1.09 0.64 1.88 -3.45 0.00 0.00 179.45 179.68 1okd h TYR 7 N -0.74 0.40 -0.94 1.91 0.05 -0.62 -3.42 116.97 113.60 1okd h TYR 7 Ca -0.13 0.01 -0.52 0.00 0.05 0.00 0.00 58.73 58.13 1okd h TYR 7 Cb 1.32 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.92 1okd h TYR 7 CO 0.21 0.08 -0.27 -0.51 -1.05 0.00 0.00 178.16 176.62 1okd s LEU 8 N -9.18 3.05 0.00 3.88 1.43 -1.25 -4.60 118.68 112.01 1okd s LEU 8 Ca -0.07 -0.96 0.06 0.00 -1.03 0.00 0.00 54.13 52.13 1okd s LEU 8 Cb 0.23 -1.62 0.37 0.00 0.03 0.00 0.00 46.19 45.20 1okd s LEU 8 CO 0.78 -1.02 0.99 -2.65 0.23 0.00 0.00 176.35 174.69 1okd n PRO 9 N -1.83 0.72 -0.43 1.29 -0.02 -1.26 -4.79 135.00 128.67 1okd n PRO 9 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1okd n PRO 9 Cb 0.63 -1.14 0.00 0.00 -0.02 0.00 0.00 33.50 32.97 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 0.27 0.52 3.75 -1.23 0.00 -1.24 -5.04 105.19 102.22 1okd n GLY 10 Ca 0.05 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.51 2.01 -0.15 -0.61 1.09 -1.26 -4.92 121.20 115.85 1okd s ILE 11 Ca 0.00 0.00 0.08 0.00 -1.10 0.00 0.00 60.65 59.63 1okd s ILE 11 Cb 0.00 -3.00 -0.15 0.00 -1.06 0.00 0.00 42.46 38.25 1okd s ILE 11 CO 0.00 0.00 -0.04 1.21 -0.10 0.00 0.00 174.94 176.02 1okd n GLU 12 N 2.38 1.21 -4.29 2.79 4.07 -1.26 -4.86 120.64 120.69 1okd n GLU 12 Ca 0.09 0.04 -0.19 0.00 -0.06 0.00 0.00 57.16 57.04 1okd n GLU 12 Cb 0.37 -1.36 -0.11 0.00 -0.06 0.00 0.00 31.44 30.28 1okd n GLU 12 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1okd s LYS 13 N -2.34 1.16 0.35 5.31 1.02 -1.26 0.73 119.74 124.70 1okd s LYS 13 Ca -0.14 -1.37 0.09 0.00 0.02 0.00 0.00 55.97 54.57 1okd s LYS 13 Cb 0.05 -1.05 -0.06 0.00 -0.52 0.00 0.00 37.83 36.25 1okd s LYS 13 CO 0.51 0.20 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.57 1okd s LEU 14 N -2.74 2.83 0.00 3.17 1.43 0.25 -4.70 118.68 118.92 1okd s LEU 14 Ca 0.14 -1.12 0.31 0.00 -1.03 0.00 0.00 54.13 52.42 1okd s LEU 14 Cb -0.04 -1.13 1.80 0.00 0.03 0.00 0.00 46.19 46.85 1okd s LEU 14 CO 0.05 -0.23 2.15 0.54 0.23 0.00 0.00 176.35 179.09 1okd n ARG 15 N -0.86 0.91 0.00 1.70 5.12 0.51 -0.72 116.66 123.32 1okd n ARG 15 Ca -0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 1okd n ARG 15 Cb 0.63 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.43 1okd n ARG 15 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1okd n ARG 16 N -1.03 0.00 0.00 5.56 3.00 -1.25 -4.31 116.66 118.63 1okd n ARG 16 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.07 1okd n ARG 16 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.58 1okd n ARG 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1okd n GLY 17 N 0.00 0.66 0.57 5.14 0.00 -1.23 -3.99 105.19 106.34 1okd n GLY 17 Ca 0.00 0.06 0.39 0.00 0.00 0.00 0.00 46.02 46.48 1okd n GLY 17 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1okd h ASP 18 N 0.00 0.02 0.00 1.61 3.58 -1.90 -3.43 116.42 116.29 1okd h ASP 18 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1okd h ASP 18 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1okd h ASP 18 CO 0.00 -0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1okd n GLY 19 N -1.80 1.18 3.07 -0.78 0.00 -1.26 -5.18 105.19 100.43 1okd n GLY 19 Ca 0.30 0.26 -0.07 0.00 0.00 0.00 0.00 46.02 46.51 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 1.87 0.56 -0.04 1.61 2.02 -1.26 -3.95 118.70 119.51 1okd s GLU 20 Ca 0.00 -1.10 -0.05 0.00 0.02 0.00 0.00 54.97 53.84 1okd s GLU 20 Cb 0.00 0.20 0.01 0.00 0.10 0.00 0.00 34.13 34.44 1okd s GLU 20 CO 0.00 -0.10 0.13 0.08 0.02 0.00 0.00 175.26 175.39 1okd s VAL 21 N -3.47 0.01 0.72 2.63 1.01 0.11 -4.86 120.40 116.55 1okd s VAL 21 Ca 0.03 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.73 1okd s VAL 21 Cb 0.05 -0.23 0.03 0.00 0.00 0.00 0.00 36.38 36.23 1okd s VAL 21 CO -0.08 -0.07 1.24 -1.61 0.00 0.00 0.00 175.10 174.58 1okd s GLU 22 N -0.17 2.15 0.35 2.72 8.01 -1.26 0.88 118.70 131.38 1okd s GLU 22 Ca -0.02 1.87 0.16 0.00 0.01 0.00 0.00 54.97 56.99 1okd s GLU 22 Cb -0.02 -1.82 0.62 0.00 -4.31 0.00 0.00 34.13 28.60 1okd s GLU 22 CO 0.00 -1.86 1.72 0.28 0.01 0.00 0.00 175.26 175.42 1okd h VAL 23 N -0.16 1.05 -0.65 2.63 2.07 -0.02 -3.10 116.25 118.07 1okd h VAL 23 Ca -0.48 -1.62 0.19 0.00 0.82 0.00 0.00 66.70 65.60 1okd h VAL 23 Cb 1.31 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 33.00 1okd h VAL 23 CO 0.50 0.42 0.59 0.07 0.02 0.00 0.00 177.57 179.17 1okd h LYS 24 N 0.00 0.00 0.00 1.57 2.10 -1.92 0.30 116.57 118.62 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 0.91 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 1okd h LYS 24 CO 0.06 0.00 0.00 0.45 -2.00 0.00 0.00 179.45 177.96 1okd n SER 25 N -3.87 0.46 -2.68 7.07 2.88 -1.17 -2.16 113.62 114.15 1okd n SER 25 Ca 0.13 0.71 -0.28 0.00 -1.33 0.00 0.00 58.87 58.09 1okd n SER 25 Cb 0.83 -0.77 -0.01 0.00 -0.75 0.00 0.00 64.21 63.52 1okd n SER 25 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1okd n LEU 26 N -2.11 4.94 -4.25 2.46 4.77 0.10 -4.95 117.00 117.96 1okd n LEU 26 Ca -0.01 -5.33 -0.43 0.00 -0.03 0.00 0.00 56.01 50.21 1okd n LEU 26 Cb 0.04 -0.55 -0.04 0.00 -2.33 0.00 0.00 43.42 40.53 1okd n LEU 26 CO 0.09 2.23 0.35 0.00 -1.33 0.00 0.00 177.39 178.73 1okd s ALA 27 N -3.59 4.03 0.00 -1.18 0.00 -0.92 -4.52 121.76 115.58 1okd s ALA 27 Ca 0.48 -3.41 0.00 0.00 0.00 0.00 0.00 51.96 49.03 1okd s ALA 27 Cb 0.36 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1okd s ALA 27 CO -0.19 -2.22 0.00 0.41 0.00 0.00 0.00 175.76 173.76 1okd n GLY 28 N 3.56 0.75 3.52 0.00 0.00 -1.26 -4.98 105.19 106.77 1okd n GLY 28 Ca 0.14 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.10 1.69 -0.55 1.61 -2.85 -1.26 -4.92 119.74 112.35 1okd s LYS 29 Ca 0.00 -1.50 -0.19 0.00 -1.00 0.00 0.00 55.97 53.28 1okd s LYS 29 Cb 0.00 0.44 0.09 0.00 -2.06 0.00 0.00 37.83 36.30 1okd s LYS 29 CO 0.00 -0.69 0.64 -1.17 0.10 0.00 0.00 175.35 174.23 1okd s LEU 30 N -3.12 5.32 -0.04 2.77 2.96 -1.26 -1.92 118.68 123.39 1okd s LEU 30 Ca 0.27 -1.28 -0.08 0.00 -0.22 0.00 0.00 54.13 52.82 1okd s LEU 30 Cb 0.00 -2.33 -0.05 0.00 0.50 0.00 0.00 46.19 44.31 1okd s LEU 30 CO 0.14 -0.99 0.24 -0.69 -1.32 0.00 0.00 176.35 173.72 1okd s VAL 31 N 2.53 5.35 0.30 1.68 1.01 0.47 -3.51 120.40 128.22 1okd s VAL 31 Ca 0.12 0.26 0.10 0.00 0.00 0.00 0.00 61.98 62.45 1okd s VAL 31 Cb -0.23 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1okd s VAL 31 CO 0.08 0.49 -0.05 -0.36 0.00 0.00 0.00 175.10 175.26 1okd s PHE 32 N -1.17 2.53 -0.21 5.22 0.40 -1.13 0.99 117.98 124.60 1okd s PHE 32 Ca 0.22 -0.35 -0.04 0.00 -0.60 0.00 0.00 56.93 56.17 1okd s PHE 32 Cb -0.13 -1.27 0.08 0.00 0.51 0.00 0.00 43.02 42.21 1okd s PHE 32 CO 0.11 0.58 0.14 -0.06 0.70 0.00 0.00 175.22 176.70 1okd s PHE 33 N -2.46 0.07 -0.26 0.36 0.08 3.81 -0.60 117.98 118.97 1okd s PHE 33 Ca 0.33 -0.31 -0.17 0.00 0.12 0.00 0.00 56.93 56.89 1okd s PHE 33 Cb -0.03 -0.65 -0.03 0.00 -0.57 0.00 0.00 43.02 41.74 1okd s PHE 33 CO 0.18 -0.63 0.45 -0.47 -0.10 0.00 0.00 175.22 174.66 1okd s TYR 34 N 2.19 3.26 -0.20 0.36 6.14 1.11 -1.87 117.35 128.34 1okd s TYR 34 Ca 0.05 0.54 -0.15 0.00 0.64 0.00 0.00 57.07 58.15 1okd s TYR 34 Cb -0.16 -2.66 -0.04 0.00 0.42 0.00 0.00 41.96 39.52 1okd s TYR 34 CO -0.18 -0.26 0.35 -0.06 0.64 0.00 0.00 175.55 176.05 1okd s PHE 35 N 2.20 3.38 0.03 4.97 0.40 -0.99 -1.22 117.98 126.75 1okd s PHE 35 Ca 0.19 0.56 -0.27 0.00 -0.60 0.00 0.00 56.93 56.80 1okd s PHE 35 Cb -0.16 -2.47 0.10 0.00 0.51 0.00 0.00 43.02 41.00 1okd s PHE 35 CO 0.09 0.03 1.23 0.45 0.70 0.00 0.00 175.22 177.72 1okd s SER 36 N 0.98 -0.01 0.08 1.36 0.15 -1.05 -2.13 113.70 113.08 1okd s SER 36 Ca 0.17 -0.29 -0.01 0.00 0.70 0.00 0.00 55.95 56.52 1okd s SER 36 Cb -0.14 0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.36 1okd s SER 36 CO 0.07 -0.45 0.00 0.00 1.20 0.00 0.00 173.24 174.06 1okd s ALA 37 N -2.17 0.66 0.21 5.45 0.00 -1.26 0.12 121.76 124.77 1okd s ALA 37 Ca 0.24 -1.31 0.15 0.00 0.00 0.00 0.00 51.96 51.04 1okd s ALA 37 Cb 0.00 0.49 0.54 0.00 0.00 0.00 0.00 23.12 24.15 1okd s ALA 37 CO -0.00 -0.41 1.68 1.03 0.00 0.00 0.00 175.76 178.06 1okd h SER 38 N 3.04 0.00 -0.15 0.00 0.87 -1.93 -2.85 113.55 112.53 1okd h SER 38 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1okd h SER 38 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1okd h SER 38 CO 0.63 0.47 0.00 -2.67 -0.53 0.00 0.00 176.83 174.74 1okd n TRP 39 N -3.65 0.19 -1.03 2.24 4.27 -1.26 -4.90 117.44 113.31 1okd n TRP 39 Ca -0.01 -0.09 -0.34 0.00 -3.89 0.00 0.00 57.50 53.17 1okd n TRP 39 Cb 0.55 0.00 0.10 0.00 -1.36 0.00 0.00 31.31 30.60 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 -0.97 -0.19 0.00 0.00 0.11 -1.93 -3.34 132.00 125.67 1okd h PRO 41 Ca -0.45 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1okd h PRO 41 Cb 1.31 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1okd h PRO 41 CO 0.38 -0.13 0.00 -2.30 -0.21 0.00 0.00 178.00 175.75 1okd n PRO 42 N -5.26 0.00 -2.54 1.05 -0.02 -1.26 -4.87 135.00 122.10 1okd n PRO 42 Ca -0.05 0.46 -0.06 0.00 -2.02 0.00 0.00 63.50 61.84 1okd n PRO 42 Cb 0.18 -1.09 -0.00 0.00 -0.02 0.00 0.00 33.50 32.56 1okd n PRO 42 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1okd s ARG 44 N -5.08 0.83 0.00 0.00 1.70 -1.26 -4.99 118.95 110.14 1okd s ARG 44 Ca 0.03 -0.63 0.00 0.00 -0.47 0.00 0.00 55.73 54.65 1okd s ARG 44 Cb -0.02 -0.20 0.00 0.00 -0.57 0.00 0.00 34.95 34.17 1okd s ARG 44 CO 0.03 -1.22 0.00 0.41 -1.08 0.00 0.00 175.30 173.44 1okd n GLY 45 N 4.05 2.33 3.54 3.88 0.00 -1.26 -5.05 105.19 112.68 1okd n GLY 45 Ca 0.13 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1okd n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1okd s PHE 46 N 0.00 2.63 0.12 1.61 2.19 -1.26 -4.13 117.98 119.14 1okd s PHE 46 Ca 0.00 -0.95 0.00 0.00 0.33 0.00 0.00 56.93 56.31 1okd s PHE 46 Cb 0.00 -4.64 0.00 0.00 -1.31 0.00 0.00 43.02 37.07 1okd s PHE 46 CO 0.00 -1.87 0.00 2.41 1.83 0.00 0.00 175.22 177.59 1okd n THR 47 N 6.67 0.00 1.00 0.12 -1.04 -1.26 -4.94 114.28 114.82 1okd n THR 47 Ca 0.32 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.43 1okd n THR 47 Cb 0.51 0.00 0.52 0.00 -1.82 0.00 0.00 70.33 69.54 1okd n THR 47 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1okd n PRO 48 N -2.81 0.32 0.06 -2.82 -0.04 -1.26 -3.03 135.00 125.42 1okd n PRO 48 Ca 0.00 0.09 -0.21 0.00 -0.04 0.00 0.00 63.50 63.34 1okd n PRO 48 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 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 0.57 -0.46 0.54 4.20 -1.93 -3.04 115.11 114.99 1okd h GLN 49 Ca 0.00 -0.72 0.09 0.00 0.06 0.00 0.00 58.65 58.08 1okd h GLN 49 Cb 0.18 0.23 -0.08 0.00 0.30 0.00 0.00 27.48 28.11 1okd h GLN 49 CO 0.00 1.31 -0.00 1.25 -0.67 0.00 0.00 178.83 180.72 1okd h LEU 50 N 0.16 -0.20 -0.47 1.46 7.12 -1.92 0.81 115.31 122.28 1okd h LEU 50 Ca -0.15 0.11 -0.01 0.00 0.13 0.00 0.00 57.88 57.96 1okd h LEU 50 Cb 1.74 0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 42.04 1okd h LEU 50 CO 0.20 -0.06 0.25 0.40 -0.13 0.00 0.00 178.44 179.09 1okd h ILE 51 N 0.11 1.17 -0.23 4.05 1.08 -1.71 0.09 117.51 122.07 1okd h ILE 51 Ca 0.23 -0.45 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 1okd h ILE 51 Cb 0.34 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 1okd h ILE 51 CO -0.39 0.18 0.11 -0.08 -0.69 0.00 0.00 178.15 177.28 1okd h GLU 52 N 0.61 0.33 -0.46 2.37 4.22 -1.23 1.06 114.58 121.47 1okd h GLU 52 Ca 0.16 -0.05 -0.05 0.00 0.08 0.00 0.00 59.36 59.51 1okd h GLU 52 Cb 0.07 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1okd h GLU 52 CO -0.02 0.34 0.11 0.35 -2.18 0.00 0.00 179.01 177.61 1okd h PHE 53 N 0.23 0.78 0.01 0.92 3.57 -0.75 -1.67 116.94 120.04 1okd h PHE 53 Ca 0.08 -0.09 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 1okd h PHE 53 Cb 0.13 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 38.65 1okd h PHE 53 CO -0.02 0.72 -0.36 1.88 -2.23 0.00 0.00 178.31 178.29 1okd h TYR 54 N 0.62 0.34 0.00 0.41 -1.99 -0.87 -3.16 116.97 112.33 1okd h TYR 54 Ca 0.15 -0.19 -0.01 0.00 2.00 0.00 0.00 58.73 60.67 1okd h TYR 54 Cb 0.33 -0.04 -0.00 0.00 2.00 0.00 0.00 36.73 39.02 1okd h TYR 54 CO 0.02 1.02 -0.07 0.22 -0.00 0.00 0.00 178.16 179.36 1okd h ASP 55 N -0.43 0.00 1.70 3.88 3.58 0.11 2.04 116.42 127.31 1okd h ASP 55 Ca -0.05 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.36 1okd h ASP 55 Cb 1.13 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.17 1okd h ASP 55 CO 0.07 0.07 -0.30 0.11 -2.88 0.00 0.00 179.24 176.30 1okd h LYS 56 N 0.00 0.00 0.00 0.28 1.79 -1.35 -3.37 116.57 113.92 1okd h LYS 56 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1okd h LYS 56 Cb 0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1okd h LYS 56 CO 0.01 0.18 0.00 1.19 -1.08 0.00 0.00 179.45 179.75 1okd n PHE 57 N -3.10 0.00 0.18 -1.35 3.01 -0.85 -4.79 117.46 110.56 1okd n PHE 57 Ca 0.02 -0.05 0.17 0.00 1.01 0.00 0.00 57.45 58.61 1okd n PHE 57 Cb 0.61 -0.01 0.80 0.00 -0.01 0.00 0.00 39.48 40.88 1okd n PHE 57 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1okd h HIS 58 N 0.00 0.00 0.08 1.38 -0.00 0.31 0.52 115.15 117.44 1okd h HIS 58 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1okd h HIS 58 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.86 1okd h HIS 58 CO 0.00 0.00 -0.04 1.05 -0.00 0.00 0.00 177.93 178.94 1okd h GLU 59 N 0.00 -0.11 0.02 5.26 4.11 -1.85 1.11 114.58 123.13 1okd h GLU 59 Ca 0.10 0.01 -0.27 0.00 0.07 0.00 0.00 59.36 59.27 1okd h GLU 59 Cb 0.56 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1okd h GLU 59 CO -0.00 0.12 -1.50 1.03 0.07 0.00 0.00 179.01 178.72 1okd h SER 60 N -0.32 0.07 0.75 3.06 0.87 -1.78 -3.35 113.55 112.85 1okd h SER 60 Ca -0.01 -0.11 -0.25 0.00 -1.23 0.00 0.00 61.79 60.19 1okd h SER 60 Cb 0.27 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 1okd h SER 60 CO 0.02 1.09 -1.31 0.11 -0.53 0.00 0.00 176.83 176.21 1okd h LYS 61 N 0.01 0.03 -6.44 2.24 1.79 -0.04 -3.49 116.57 110.67 1okd h LYS 61 Ca -0.21 -0.06 -0.48 0.00 -2.18 0.00 0.00 60.65 57.72 1okd h LYS 61 Cb 1.95 0.02 0.06 0.00 -1.58 0.00 0.00 32.23 32.68 1okd h LYS 61 CO 0.10 0.84 -0.96 -1.71 -1.08 0.00 0.00 179.45 176.65 1okd n ASN 62 N -3.26 -5.00 -4.59 0.86 5.15 0.38 -4.95 115.26 103.86 1okd n ASN 62 Ca -0.08 -1.10 -0.27 0.00 -0.60 0.00 0.00 54.58 52.53 1okd n ASN 62 Cb 0.99 -2.85 -0.10 0.00 -0.53 0.00 0.00 39.78 37.29 1okd n ASN 62 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1okd s PHE 63 N -3.47 2.27 -0.06 1.20 -0.12 -1.26 -4.66 117.98 111.88 1okd s PHE 63 Ca 0.48 -0.80 -0.05 0.00 -0.05 0.00 0.00 56.93 56.50 1okd s PHE 63 Cb -0.20 -1.63 0.02 0.00 -0.63 0.00 0.00 43.02 40.58 1okd s PHE 63 CO 0.90 0.30 0.16 -2.00 -0.05 0.00 0.00 175.22 174.52 1okd s GLU 64 N -3.77 0.18 -0.11 1.99 2.56 -1.23 -4.95 118.70 113.37 1okd s GLU 64 Ca 0.30 0.22 -0.00 0.00 0.00 0.00 0.00 54.97 55.49 1okd s GLU 64 Cb 0.08 0.09 -0.02 0.00 2.00 0.00 0.00 34.13 36.28 1okd s GLU 64 CO 0.15 -0.02 -0.11 0.08 -0.56 0.00 0.00 175.26 174.80 1okd s VAL 65 N 0.08 3.26 0.03 3.70 1.01 -1.26 -2.84 120.40 124.37 1okd s VAL 65 Ca -0.00 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1okd s VAL 65 Cb -0.01 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1okd s VAL 65 CO 0.00 0.54 0.02 -0.69 0.00 0.00 0.00 175.10 174.97 1okd s VAL 66 N 0.06 4.25 -0.22 2.92 1.01 0.23 -3.04 120.40 125.61 1okd s VAL 66 Ca -0.04 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 1okd s VAL 66 Cb -0.14 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 1okd s VAL 66 CO 0.04 0.29 0.05 0.12 0.00 0.00 0.00 175.10 175.60 1okd s PHE 67 N -1.18 3.11 -0.36 5.22 5.36 -0.25 -2.37 117.98 127.50 1okd s PHE 67 Ca 0.22 -0.30 -0.07 0.00 -0.96 0.00 0.00 56.93 55.82 1okd s PHE 67 Cb -0.12 -2.15 0.05 0.00 -0.34 0.00 0.00 43.02 40.47 1okd s PHE 67 CO 0.14 -0.19 0.15 0.00 -1.46 0.00 0.00 175.22 173.86 1okd s THR 69 N 1.41 2.14 -0.22 0.00 -1.32 -1.26 -2.53 115.64 113.86 1okd s THR 69 Ca 0.00 0.05 0.21 0.00 -1.21 0.00 0.00 61.69 60.73 1okd s THR 69 Cb -0.20 -2.13 0.46 0.00 -1.51 0.00 0.00 72.50 69.12 1okd s THR 69 CO 0.03 -0.06 1.19 0.79 -2.21 0.00 0.00 174.62 174.36 1okd n TRP 70 N -4.45 0.42 -3.76 9.09 7.02 0.32 -4.56 117.44 121.53 1okd n TRP 70 Ca 0.08 -1.75 -0.24 0.00 -1.02 0.00 0.00 57.50 54.57 1okd n TRP 70 Cb 0.53 0.13 -0.02 0.00 -2.42 0.00 0.00 31.31 29.54 1okd n TRP 70 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1okd s ASP 71 N -2.94 4.77 -0.16 -0.99 1.11 -1.26 -4.56 116.67 112.63 1okd s ASP 71 Ca 0.24 -1.04 0.15 0.00 0.18 0.00 0.00 52.55 52.08 1okd s ASP 71 Cb 0.34 -0.00 -0.22 0.00 1.07 0.00 0.00 42.92 44.11 1okd s ASP 71 CO -0.07 -0.92 0.08 -1.84 1.18 0.00 0.00 175.17 173.60 1okd n GLU 72 N -1.67 1.16 -4.30 8.23 -0.00 -1.26 -4.98 120.64 117.82 1okd n GLU 72 Ca 0.01 -0.02 -0.28 0.00 -0.00 0.00 0.00 57.16 56.87 1okd n GLU 72 Cb 0.63 -1.44 -0.11 0.00 -0.00 0.00 0.00 31.44 30.53 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 -2.46 1.88 0.40 3.44 2.56 -1.26 -5.02 118.70 118.24 1okd s GLU 73 Ca -0.08 -1.22 0.20 0.00 0.00 0.00 0.00 54.97 53.87 1okd s GLU 73 Cb 0.05 -2.13 0.79 0.00 2.00 0.00 0.00 34.13 34.85 1okd s GLU 73 CO 0.71 0.46 1.78 0.93 -0.56 0.00 0.00 175.26 178.58 1okd h GLU 74 N 3.43 0.00 -0.44 4.30 5.08 -2.00 -3.04 114.58 121.90 1okd h GLU 74 Ca -0.49 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 57.99 1okd h GLU 74 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1okd h GLU 74 CO 0.49 0.33 0.32 -0.44 -1.00 0.00 0.00 179.01 178.70 1okd h ASP 75 N 0.00 0.05 0.12 1.42 3.32 -1.98 0.63 116.42 119.98 1okd h ASP 75 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1okd h ASP 75 Cb 0.81 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1okd h ASP 75 CO 0.04 0.03 -0.06 1.23 -1.72 0.00 0.00 179.24 178.76 1okd h GLY 76 N 0.06 -0.17 1.99 2.75 0.00 -1.97 -3.23 103.07 102.50 1okd h GLY 76 Ca 0.21 0.06 -0.11 0.00 0.00 0.00 0.00 47.33 47.50 1okd h GLY 76 CO -0.01 -0.06 -0.50 0.27 0.00 0.00 0.00 176.54 176.24 1okd h PHE 77 N -0.97 0.01 0.25 5.60 -0.00 -1.63 -2.55 116.94 117.65 1okd h PHE 77 Ca -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.95 1okd h PHE 77 Cb 0.43 -0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.36 1okd h PHE 77 CO 0.08 0.51 -0.24 0.00 -0.00 0.00 0.00 178.31 178.65 1okd h ALA 78 N 1.49 -0.50 0.00 12.09 0.00 0.14 0.62 119.26 133.09 1okd h ALA 78 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1okd h ALA 78 Cb 0.88 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1okd h ALA 78 CO 0.07 -0.81 0.00 0.41 0.00 0.00 0.00 179.25 178.91 1okd n GLY 79 N -1.37 -1.40 0.14 0.00 0.00 -1.22 -2.56 105.19 98.79 1okd n GLY 79 Ca -0.09 0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 0.74 0.00 1.61 3.20 -0.62 -3.27 116.97 118.62 1okd h TYR 80 Ca 0.00 -0.46 0.00 0.00 3.14 0.00 0.00 58.73 61.41 1okd h TYR 80 Cb 0.47 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.68 1okd h TYR 80 CO 0.00 1.32 0.00 1.97 -1.64 0.00 0.00 178.16 179.81 1okd n PHE 81 N -4.04 0.57 0.18 -3.82 1.16 0.20 -3.76 117.46 107.95 1okd n PHE 81 Ca -0.13 0.17 0.18 0.00 -1.87 0.00 0.00 57.45 55.80 1okd n PHE 81 Cb 0.83 -0.78 0.72 0.00 -1.61 0.00 0.00 39.48 38.65 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 2.68 1.86 -0.47 1.98 0.00 -1.55 -3.30 119.26 120.46 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 0.62 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1okd h ALA 82 CO 0.00 -0.61 0.00 1.63 0.00 0.00 0.00 179.25 180.27 1okd n LYS 83 N -3.32 0.00 -1.20 0.00 4.76 -1.25 -5.02 118.16 112.14 1okd n LYS 83 Ca 0.04 0.00 -0.47 0.00 -2.87 0.00 0.00 58.31 55.01 1okd n LYS 83 Cb 0.59 -0.23 -0.07 0.00 -1.84 0.00 0.00 35.03 33.48 1okd n LYS 83 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1okd n MET 84 N -2.31 0.00 0.04 1.97 0.00 -1.25 -4.87 117.12 110.71 1okd n MET 84 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.60 1okd n MET 84 Cb 0.00 -1.07 -0.13 0.00 0.00 0.00 0.00 33.22 32.02 1okd n MET 84 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1okd h PRO 85 N 3.21 0.08 -6.31 3.17 0.13 -1.87 -3.45 132.00 126.96 1okd h PRO 85 Ca -0.32 -0.13 -0.52 0.00 -0.87 0.00 0.00 66.00 64.15 1okd h PRO 85 Cb 0.98 0.05 0.24 0.00 0.13 0.00 0.00 31.00 32.40 1okd h PRO 85 CO 0.64 0.92 -1.55 -2.67 -0.23 0.00 0.00 178.00 175.11 1okd n TRP 86 N -3.31 -2.97 -2.85 1.56 2.14 -1.26 -3.57 117.44 107.18 1okd n TRP 86 Ca -0.09 0.19 -0.41 0.00 2.07 0.00 0.00 57.50 59.26 1okd n TRP 86 Cb 1.00 -1.54 -0.04 0.00 -0.81 0.00 0.00 31.31 29.92 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 4.19 4.34 -0.02 5.67 1.43 -1.17 -4.38 118.68 128.73 1okd s LEU 87 Ca 0.46 1.46 0.06 0.00 -1.03 0.00 0.00 54.13 55.08 1okd s LEU 87 Cb -0.13 -3.37 -0.01 0.00 0.03 0.00 0.00 46.19 42.71 1okd s LEU 87 CO 0.73 -0.21 -0.19 0.00 0.23 0.00 0.00 176.35 176.91 1okd s ALA 88 N 0.98 1.63 0.19 4.21 0.00 -1.26 -1.09 121.76 126.41 1okd s ALA 88 Ca 0.46 -0.82 -0.31 0.00 0.00 0.00 0.00 51.96 51.29 1okd s ALA 88 Cb -0.20 -0.44 -0.10 0.00 0.00 0.00 0.00 23.12 22.38 1okd s ALA 88 CO 0.23 0.37 1.55 0.08 0.00 0.00 0.00 175.76 178.00 1okd s VAL 89 N -0.34 2.59 0.60 0.00 1.01 -1.20 -0.36 120.40 122.70 1okd s VAL 89 Ca 0.05 0.44 -0.18 0.00 0.00 0.00 0.00 61.98 62.29 1okd s VAL 89 Cb -0.09 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1okd s VAL 89 CO 0.00 0.04 1.16 -2.16 0.00 0.00 0.00 175.10 174.15 1okd s PRO 90 N 0.80 2.99 0.56 2.72 0.04 -1.26 -4.86 135.00 135.98 1okd s PRO 90 Ca 0.68 1.66 0.34 0.00 0.04 0.00 0.00 61.00 63.72 1okd s PRO 90 Cb -0.44 -1.95 1.48 0.00 0.04 0.00 0.00 34.50 33.64 1okd s PRO 90 CO 0.34 -1.16 1.79 0.35 0.04 0.00 0.00 177.00 178.36 1okd h PHE 91 N 0.71 0.00 -0.95 0.56 3.57 -1.99 0.11 116.94 118.94 1okd h PHE 91 Ca -0.49 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.20 1okd h PHE 91 Cb 1.28 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.93 1okd h PHE 91 CO 0.50 0.00 0.61 0.00 -2.23 0.00 0.00 178.31 177.18 1okd h ALA 92 N 1.35 1.96 -0.32 2.41 0.00 -2.02 -0.53 119.26 122.11 1okd h ALA 92 Ca 0.48 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.29 1okd h ALA 92 Cb 2.07 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.71 1okd h ALA 92 CO -0.01 -0.27 -0.07 1.04 0.00 0.00 0.00 179.25 179.94 1okd n GLN 93 N -4.61 1.99 0.28 0.00 1.13 0.36 -4.66 117.38 111.87 1okd n GLN 93 Ca 0.21 -3.11 0.17 0.00 -1.94 0.00 0.00 57.00 52.32 1okd n GLN 93 Cb 0.62 -1.81 0.94 0.00 0.11 0.00 0.00 30.24 30.10 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 1.09 0.00 -0.75 1.08 4.64 -1.01 -0.98 113.55 117.62 1okd h SER 94 Ca 0.17 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.59 1okd h SER 94 Cb 1.59 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.63 1okd h SER 94 CO 0.34 0.00 0.49 -0.33 -0.87 0.00 0.00 176.83 176.46 1okd h GLU 95 N 0.00 0.63 -0.77 4.77 4.39 -1.83 -0.60 114.58 121.17 1okd h GLU 95 Ca 0.02 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.69 1okd h GLU 95 Cb 0.14 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 1okd h GLU 95 CO -0.00 0.41 0.51 0.00 -1.16 0.00 0.00 179.01 178.77 1okd h ALA 96 N 1.62 0.97 -0.57 3.43 0.00 -1.51 -2.08 119.26 121.13 1okd h ALA 96 Ca 0.35 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.27 1okd h ALA 96 Cb 0.49 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1okd h ALA 96 CO -0.13 0.38 0.38 0.28 0.00 0.00 0.00 179.25 180.16 1okd h VAL 97 N 1.03 0.98 -0.14 0.00 2.07 -1.22 1.79 116.25 120.76 1okd h VAL 97 Ca 0.28 -0.18 -0.15 0.00 0.82 0.00 0.00 66.70 67.48 1okd h VAL 97 Cb -0.11 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1okd h VAL 97 CO -0.06 0.09 -0.48 1.56 0.02 0.00 0.00 177.57 178.70 1okd h GLN 98 N 0.52 0.57 0.16 1.57 4.20 -1.27 -3.21 115.11 117.65 1okd h GLN 98 Ca 0.25 -0.43 -0.30 0.00 0.06 0.00 0.00 58.65 58.23 1okd h GLN 98 Cb 0.31 0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.18 1okd h GLN 98 CO -0.07 1.05 -1.37 0.87 -0.67 0.00 0.00 178.83 178.64 1okd h LYS 99 N 0.21 0.34 -0.99 1.46 1.79 -0.95 -3.31 116.57 115.13 1okd h LYS 99 Ca -0.02 -0.57 0.22 0.00 -2.18 0.00 0.00 60.65 58.09 1okd h LYS 99 Cb 1.11 0.21 -0.09 0.00 -1.58 0.00 0.00 32.23 31.88 1okd h LYS 99 CO 0.10 1.26 0.62 1.25 -1.08 0.00 0.00 179.45 181.60 1okd h LEU 100 N 0.09 0.58 -0.64 2.94 5.85 0.26 0.25 115.31 124.65 1okd h LEU 100 Ca -0.19 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.66 1okd h LEU 100 Cb 2.03 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.99 1okd h LEU 100 CO 0.21 0.19 0.36 -1.28 -0.34 0.00 0.00 178.44 177.58 1okd h SER 101 N 0.56 0.54 -0.45 1.25 0.87 -1.64 -0.90 113.55 113.79 1okd h SER 101 Ca 0.55 0.02 0.11 0.00 -1.23 0.00 0.00 61.79 61.25 1okd h SER 101 Cb 1.15 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 63.01 1okd h SER 101 CO -0.30 0.36 0.32 0.50 -0.53 0.00 0.00 176.83 177.17 1okd h LYS 102 N 0.68 0.11 0.01 2.24 3.64 -1.11 0.59 116.57 122.72 1okd h LYS 102 Ca 0.28 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.46 1okd h LYS 102 Cb 0.15 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1okd h LYS 102 CO -0.17 0.07 -0.90 0.45 -2.27 0.00 0.00 179.45 176.63 1okd h HIS 103 N 0.11 0.05 -0.19 1.91 3.86 -1.13 -3.20 115.15 116.56 1okd h HIS 103 Ca 0.21 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1okd h HIS 103 Cb 0.69 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.16 1okd h HIS 103 CO -0.00 0.92 0.00 1.19 0.86 0.00 0.00 177.93 180.90 1okd n PHE 104 N -3.50 0.23 -3.04 2.45 3.72 0.04 -4.95 117.46 112.41 1okd n PHE 104 Ca -0.01 -0.11 -0.21 0.00 -0.05 0.00 0.00 57.45 57.07 1okd n PHE 104 Cb 0.85 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.40 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 1.26 -4.48 -4.54 4.37 5.15 0.19 -4.80 115.26 112.40 1okd n ASN 105 Ca 0.17 -0.22 -0.40 0.00 -0.60 0.00 0.00 54.58 53.53 1okd n ASN 105 Cb 0.57 -3.70 -0.05 0.00 -0.53 0.00 0.00 39.78 36.07 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 -3.98 0.05 0.10 3.44 0.31 -0.92 -4.83 118.33 112.50 1okd n VAL 106 Ca -0.08 -0.57 -0.13 0.00 -0.01 0.00 0.00 64.34 63.55 1okd n VAL 106 Cb 0.58 -2.35 -0.07 0.00 -0.91 0.00 0.00 33.84 31.08 1okd n VAL 106 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1okd h GLU 107 N 16.92 -0.16 -1.67 5.55 4.22 -1.92 -3.47 114.58 134.05 1okd h GLU 107 Ca -0.26 0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.25 1okd h GLU 107 Cb 1.27 0.04 -0.22 0.00 0.50 0.00 0.00 28.75 30.34 1okd h GLU 107 CO 1.12 -0.09 0.48 -1.12 -2.18 0.00 0.00 179.01 177.23 1okd s SER 108 N -5.06 -0.42 0.52 1.04 0.01 -1.26 -5.17 113.70 103.35 1okd s SER 108 Ca -0.14 0.44 -0.12 0.00 1.31 0.00 0.00 55.95 57.44 1okd s SER 108 Cb 0.05 0.35 -0.06 0.00 0.21 0.00 0.00 66.02 66.57 1okd s SER 108 CO 0.65 -0.40 0.92 0.27 0.41 0.00 0.00 173.24 175.10 1okd s ILE 109 N -1.20 4.69 0.58 1.44 -5.25 -1.26 -4.44 121.20 115.75 1okd s ILE 109 Ca -0.03 0.86 -0.09 0.00 -0.99 0.00 0.00 60.65 60.40 1okd s ILE 109 Cb -0.00 -3.78 -0.03 0.00 2.95 0.00 0.00 42.46 41.59 1okd s ILE 109 CO 0.03 -0.80 0.95 -2.16 -1.79 0.00 0.00 174.94 171.16 1okd s PRO 110 N -4.42 3.47 0.34 0.37 0.05 -1.26 -5.01 135.00 128.53 1okd s PRO 110 Ca 0.55 0.49 -0.11 0.00 0.05 0.00 0.00 61.00 61.97 1okd s PRO 110 Cb -0.10 -2.19 0.02 0.00 0.05 0.00 0.00 34.50 32.28 1okd s PRO 110 CO 0.39 -0.50 0.62 -0.08 0.05 0.00 0.00 177.00 177.49 1okd s THR 111 N -3.04 0.00 -0.12 1.26 -1.32 -0.90 -5.01 115.64 106.51 1okd s THR 111 Ca 0.53 -1.27 -0.06 0.00 -1.21 0.00 0.00 61.69 59.68 1okd s THR 111 Cb -0.11 -2.58 0.05 0.00 -1.51 0.00 0.00 72.50 68.35 1okd s THR 111 CO 0.50 0.00 0.27 -0.22 -2.21 0.00 0.00 174.62 172.96 1okd s LEU 112 N -3.10 0.21 0.06 9.08 2.96 -1.26 -2.35 118.68 124.28 1okd s LEU 112 Ca 0.21 0.59 0.07 0.00 -0.22 0.00 0.00 54.13 54.77 1okd s LEU 112 Cb -0.03 0.81 -0.03 0.00 0.50 0.00 0.00 46.19 47.44 1okd s LEU 112 CO 0.13 -0.18 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.17 1okd s ILE 113 N 1.50 1.47 -0.10 6.68 -1.09 -0.78 -1.39 121.20 127.49 1okd s ILE 113 Ca -0.07 -1.25 0.04 0.00 -2.23 0.00 0.00 60.65 57.13 1okd s ILE 113 Cb -0.10 -1.32 0.00 0.00 -1.58 0.00 0.00 42.46 39.46 1okd s ILE 113 CO -0.09 0.03 -0.22 -0.83 -1.23 0.00 0.00 174.94 172.60 1okd s GLY 114 N -1.43 1.27 0.16 6.18 0.00 0.22 0.10 107.32 113.82 1okd s GLY 114 Ca 0.05 -0.92 0.03 0.00 0.00 0.00 0.00 44.72 43.88 1okd s GLY 114 CO 0.02 -0.22 -0.06 -1.34 0.00 0.00 0.00 173.10 171.51 1okd s VAL 115 N 0.46 0.94 -0.29 1.40 -7.23 0.28 -1.12 120.40 114.85 1okd s VAL 115 Ca -0.17 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 57.89 1okd s VAL 115 Cb -0.17 -1.95 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 1okd s VAL 115 CO 0.07 -0.64 0.15 -1.81 -0.31 0.00 0.00 175.10 172.55 1okd s ASP 116 N -3.17 5.65 0.25 4.85 1.01 -1.25 -0.40 116.67 123.62 1okd s ASP 116 Ca 0.19 -0.25 -0.04 0.00 0.71 0.00 0.00 52.55 53.16 1okd s ASP 116 Cb 0.04 -2.04 0.39 0.00 1.01 0.00 0.00 42.92 42.33 1okd s ASP 116 CO 0.02 -0.11 1.85 0.00 0.21 0.00 0.00 175.17 177.14 1okd h ALA 117 N 8.34 1.28 0.33 5.23 0.00 -1.69 0.86 119.26 133.61 1okd h ALA 117 Ca -0.35 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1okd h ALA 117 Cb 1.17 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1okd h ALA 117 CO 0.59 0.28 -0.16 0.22 0.00 0.00 0.00 179.25 180.18 1okd h ASP 118 N 0.99 -0.37 -0.62 0.00 3.58 -1.87 -3.33 116.42 114.80 1okd h ASP 118 Ca 0.41 -0.08 0.02 0.00 0.42 0.00 0.00 57.03 57.80 1okd h ASP 118 Cb 0.25 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.36 1okd h ASP 118 CO -0.20 0.09 0.39 0.28 -2.88 0.00 0.00 179.24 176.92 1okd h SER 119 N -1.06 0.64 0.00 2.28 0.02 -1.91 -3.41 113.55 110.11 1okd h SER 119 Ca -0.05 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1okd h SER 119 Cb 0.43 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1okd h SER 119 CO 0.07 0.45 0.00 0.61 -1.14 0.00 0.00 176.83 176.82 1okd n GLY 120 N -1.27 2.38 3.63 -3.77 0.00 0.30 -4.59 105.19 101.87 1okd n GLY 120 Ca 0.06 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 1okd n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1okd n ASP 121 N 3.30 0.00 -4.76 1.61 9.92 -1.26 -4.09 116.55 121.27 1okd n ASP 121 Ca 0.00 0.37 -0.41 0.00 -0.53 0.00 0.00 54.79 54.23 1okd n ASP 121 Cb 0.00 -1.44 -0.02 0.00 -0.64 0.00 0.00 41.12 39.02 1okd n ASP 121 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1okd s VAL 122 N -2.60 2.73 -0.11 2.53 1.01 -1.26 -3.78 120.40 118.92 1okd s VAL 122 Ca 0.66 0.68 0.12 0.00 0.00 0.00 0.00 61.98 63.44 1okd s VAL 122 Cb -0.23 -3.43 -0.17 0.00 0.00 0.00 0.00 36.38 32.55 1okd s VAL 122 CO 0.59 0.14 0.09 0.52 0.00 0.00 0.00 175.10 176.44 1okd n VAL 123 N 1.49 0.75 -3.64 2.92 0.31 -1.02 -4.95 118.33 114.20 1okd n VAL 123 Ca 0.03 -0.51 -0.06 0.00 -0.01 0.00 0.00 64.34 63.78 1okd n VAL 123 Cb 0.41 -0.52 -0.07 0.00 -0.91 0.00 0.00 33.84 32.75 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 -2.42 0.00 -0.07 2.52 -1.32 -0.27 -3.67 115.64 110.41 1okd s THR 124 Ca -0.06 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.55 1okd s THR 124 Cb 0.05 -1.00 -0.19 0.00 -1.51 0.00 0.00 72.50 69.84 1okd s THR 124 CO 0.54 0.00 0.19 0.35 -2.21 0.00 0.00 174.62 173.49 1okd n THR 125 N 4.14 0.41 -1.36 5.08 -2.24 -1.26 0.73 114.28 119.78 1okd n THR 125 Ca -0.19 -0.43 -0.23 0.00 -2.27 0.00 0.00 64.05 60.93 1okd n THR 125 Cb 0.59 -0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.54 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 -2.21 2.29 0.00 -0.78 1.85 -1.26 -4.34 116.66 112.20 1okd n ARG 126 Ca -0.11 -2.00 0.15 0.00 -1.00 0.00 0.00 57.85 54.89 1okd n ARG 126 Cb 0.62 -2.10 0.73 0.00 -1.05 0.00 0.00 32.46 30.67 1okd n ARG 126 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1okd n ALA 127 N 1.26 2.60 0.08 2.89 0.00 -0.48 -2.83 120.51 124.03 1okd n ALA 127 Ca 0.47 -0.19 -0.22 0.00 0.00 0.00 0.00 53.44 53.50 1okd n ALA 127 Cb 0.64 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 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 0.19 0.51 0.18 0.00 0.11 -1.75 -3.00 114.38 110.62 1okd h ARG 128 Ca 0.00 -0.72 -0.35 0.00 0.10 0.00 0.00 59.98 59.01 1okd h ARG 128 Cb 0.27 0.25 0.01 0.00 1.11 0.00 0.00 29.97 31.61 1okd h ARG 128 CO 0.00 1.32 -1.72 0.00 0.10 0.00 0.00 179.97 179.67 1okd h ALA 129 N 0.22 0.15 -0.03 0.08 0.00 -1.91 -3.37 119.26 114.40 1okd h ALA 129 Ca -0.17 -1.12 -0.00 0.00 0.00 0.00 0.00 54.91 53.61 1okd h ALA 129 Cb 1.81 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 20.03 1okd h ALA 129 CO 0.21 1.02 0.00 1.79 0.00 0.00 0.00 179.25 182.27 1okd h THR 130 N 0.11 1.22 -0.86 0.00 1.35 -1.68 0.93 112.91 113.99 1okd h THR 130 Ca -0.33 -0.68 0.20 0.00 -0.55 0.00 0.00 66.41 65.05 1okd h THR 130 Cb 2.10 1.62 -0.06 0.00 -1.73 0.00 0.00 68.15 70.08 1okd h THR 130 CO 0.18 0.18 0.58 0.25 -0.25 0.00 0.00 175.52 176.46 1okd h LEU 131 N -0.21 0.33 0.11 3.87 6.46 -1.72 1.43 115.31 125.58 1okd h LEU 131 Ca 0.01 0.03 -0.35 0.00 -0.12 0.00 0.00 57.88 57.45 1okd h LEU 131 Cb 0.29 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 1okd h LEU 131 CO 0.00 0.14 -1.94 0.52 -0.62 0.00 0.00 178.44 176.54 1okd n VAL 132 N -4.47 1.76 -0.86 1.05 0.31 -1.11 -4.31 118.33 110.69 1okd n VAL 132 Ca 0.18 -0.68 0.08 0.00 -0.01 0.00 0.00 64.34 63.90 1okd n VAL 132 Cb 0.70 -1.61 0.38 0.00 -0.91 0.00 0.00 33.84 32.40 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 -3.41 4.44 -3.58 5.55 4.76 0.32 -4.69 118.16 121.56 1okd n LYS 133 Ca -0.29 -3.07 -0.27 0.00 -2.87 0.00 0.00 58.31 51.81 1okd n LYS 133 Cb 1.05 -2.14 -0.10 0.00 -1.84 0.00 0.00 35.03 31.99 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 0.57 1.23 -0.83 4.39 9.92 0.48 -4.87 116.55 127.45 1okd n ASP 134 Ca 0.27 -2.80 0.03 0.00 -0.53 0.00 0.00 54.79 51.75 1okd n ASP 134 Cb 1.10 -0.65 0.12 0.00 -0.64 0.00 0.00 41.12 41.06 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 2.25 2.09 -0.02 -0.24 -0.04 -1.26 -3.67 135.00 134.11 1okd n PRO 135 Ca 0.25 -0.97 -0.01 0.00 -0.04 0.00 0.00 63.50 62.73 1okd n PRO 135 Cb 0.43 -1.61 -0.04 0.00 -0.04 0.00 0.00 33.50 32.23 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 0.20 2.33 -1.68 0.54 1.02 -1.26 -4.99 120.64 116.79 1okd n GLU 136 Ca 0.09 -0.02 -0.16 0.00 -0.02 0.00 0.00 57.16 57.05 1okd n GLU 136 Cb 0.47 -1.13 -0.05 0.00 -0.02 0.00 0.00 31.44 30.71 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 2.55 1.03 0.12 0.62 0.00 -1.24 -4.80 105.19 103.47 1okd n GLY 137 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.24 0.22 -1.16 1.61 0.28 -1.26 -3.34 120.64 114.75 1okd n GLU 138 Ca -0.16 0.33 0.03 0.00 -0.16 0.00 0.00 57.16 57.20 1okd n GLU 138 Cb 0.54 -1.84 0.03 0.00 1.43 0.00 0.00 31.44 31.61 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 -2.24 0.15 -0.14 3.44 6.02 -1.26 -4.97 117.38 118.37 1okd n GLN 139 Ca 0.04 -1.87 0.05 0.00 -0.01 0.00 0.00 57.00 55.20 1okd n GLN 139 Cb 0.31 -0.27 0.10 0.00 1.02 0.00 0.00 30.24 31.40 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 0.22 0.22 0.25 1.08 -1.74 -1.21 0.39 117.46 116.66 1okd n PHE 140 Ca 0.06 0.48 0.01 0.00 -0.56 0.00 0.00 57.45 57.44 1okd n PHE 140 Cb 1.00 -0.78 0.07 0.00 1.52 0.00 0.00 39.48 41.28 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 -4.46 0.12 -1.27 3.97 -0.04 -1.26 -4.79 135.00 127.26 1okd n PRO 141 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1okd n PRO 141 Cb 0.27 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.00 0.54 8.01 1.26 -4.11 117.44 122.36 1okd n TRP 142 Ca 0.02 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.21 1okd n TRP 142 Cb 0.01 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.31 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 -0.30 0.49 -0.80 -0.99 2.85 -1.24 -4.43 118.16 113.73 1okd n LYS 143 Ca 0.00 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.91 1okd n LYS 143 Cb 0.00 0.00 0.12 0.00 -0.65 0.00 0.00 35.03 34.50 1okd n LYS 143 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1okd n ASP 144 N -0.60 -2.67 -4.26 -5.58 -0.08 -1.26 -4.92 116.55 97.18 1okd n ASP 144 Ca 0.00 -0.07 -0.43 0.00 -1.51 0.00 0.00 54.79 52.78 1okd n ASP 144 Cb 0.00 -0.78 -0.07 0.00 2.34 0.00 0.00 41.12 42.61 1okd n ASP 144 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1okd s ALA 145 N -2.14 3.48 -1.68 -1.67 0.00 -1.26 -4.93 121.76 113.56 1okd s ALA 145 Ca 0.48 -2.50 0.04 0.00 0.00 0.00 0.00 51.96 49.98 1okd s ALA 145 Cb -0.03 -2.98 0.14 0.00 0.00 0.00 0.00 23.12 20.25 1okd s ALA 145 CO 0.66 -1.92 1.01 -0.35 0.00 0.00 0.00 175.76 175.16 1okd n PRO 146 N 5.04 1.46 -1.57 0.00 -0.04 -1.26 -3.89 135.00 134.75 1okd n PRO 146 Ca -0.10 -0.56 -0.29 0.00 -0.04 0.00 0.00 63.50 62.51 1okd n PRO 146 Cb 0.41 -1.26 -0.05 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.01 6.70 0.00 1.53 4.77 -1.26 -4.71 117.00 124.01 1okd n LEU 147 Ca 0.05 -4.19 0.00 0.00 -0.03 0.00 0.00 56.01 51.84 1okd n LEU 147 Cb 0.21 -1.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 1okd n LEU 147 CO 0.04 1.78 0.00 -0.62 -1.33 0.00 0.00 177.39 177.26 1okd n GLU 148 N 0.99 -1.76 0.00 3.23 4.71 -1.26 -5.33 120.64 121.22 1okd n GLU 148 Ca 0.51 0.44 0.00 0.00 -0.01 0.00 0.00 57.16 58.10 1okd n GLU 148 Cb 0.51 -4.93 0.00 0.00 -1.01 0.00 0.00 31.44 26.00 1okd n GLU 148 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83