#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 -0.73 0.19 5.00 0.00 -0.12 -2.13 103.07 105.28 1okd h GLY 3 Ca 0.00 0.30 0.23 0.00 0.00 0.00 0.00 47.33 47.86 1okd h GLY 3 CO 0.00 -0.27 0.68 1.41 0.00 0.00 0.00 176.54 178.36 1okd h LEU 4 N -0.70 0.00 -0.30 3.11 4.07 -1.85 0.70 115.31 120.34 1okd h LEU 4 Ca -0.06 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.71 1okd h LEU 4 Cb 0.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 1okd h LEU 4 CO 0.07 0.00 -0.61 -0.78 -1.08 0.00 0.00 178.44 176.03 1okd h ASP 5 N 0.00 0.90 0.06 -0.43 1.82 -1.67 -2.41 116.42 114.70 1okd h ASP 5 Ca 0.38 -0.51 -0.13 0.00 -0.39 0.00 0.00 57.03 56.38 1okd h ASP 5 Cb 1.74 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 41.49 1okd h ASP 5 CO -0.00 1.30 -0.61 0.11 -1.61 0.00 0.00 179.24 178.43 1okd h LYS 6 N 0.59 0.14 -0.53 0.28 1.57 -0.03 -3.11 116.57 115.46 1okd h LYS 6 Ca -0.00 -0.23 0.15 0.00 -1.87 0.00 0.00 60.65 58.70 1okd h LYS 6 Cb 1.22 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 1okd h LYS 6 CO 0.13 1.11 0.41 1.88 -0.57 0.00 0.00 179.45 182.41 1okd h TYR 7 N -0.69 0.00 -2.38 -1.35 0.05 0.07 -3.24 116.97 109.43 1okd h TYR 7 Ca -0.13 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.06 1okd h TYR 7 Cb 1.36 0.00 -0.38 0.00 1.01 0.00 0.00 36.73 38.72 1okd h TYR 7 CO 0.21 0.00 -0.96 1.28 -1.05 0.00 0.00 178.16 177.64 1okd n LEU 8 N -4.22 -0.34 -4.61 3.88 4.32 -0.91 -4.73 117.00 110.39 1okd n LEU 8 Ca 0.10 -4.41 -0.43 0.00 -0.02 0.00 0.00 56.01 51.25 1okd n LEU 8 Cb 0.64 0.50 -0.03 0.00 -1.62 0.00 0.00 43.42 42.90 1okd n LEU 8 CO 0.35 1.86 1.72 -2.84 -1.22 0.00 0.00 177.39 177.26 1okd s PRO 9 N -0.03 3.40 0.00 3.23 0.02 -1.18 -2.28 135.00 138.17 1okd s PRO 9 Ca 0.33 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.37 1okd s PRO 9 Cb 0.04 -4.28 0.00 0.00 0.02 0.00 0.00 34.50 30.27 1okd s PRO 9 CO -0.20 -1.80 0.00 0.41 -0.33 0.00 0.00 177.00 175.08 1okd n GLY 10 N 5.40 1.80 3.76 0.52 0.00 -1.26 -5.05 105.19 110.36 1okd n GLY 10 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.32 2.07 0.06 -0.61 -1.09 -0.96 -4.90 121.20 114.46 1okd s ILE 11 Ca 0.00 0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 1okd s ILE 11 Cb 0.00 -3.04 0.00 0.00 -1.58 0.00 0.00 42.46 37.84 1okd s ILE 11 CO 0.00 0.01 0.00 -0.62 -1.23 0.00 0.00 174.94 173.10 1okd n GLU 12 N 1.44 0.00 -4.32 2.79 4.71 -1.26 -5.02 120.64 118.97 1okd n GLU 12 Ca 0.05 0.00 -0.17 0.00 -0.01 0.00 0.00 57.16 57.03 1okd n GLU 12 Cb 0.38 -0.21 -0.10 0.00 -1.01 0.00 0.00 31.44 30.50 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 -2.00 1.34 0.25 3.49 1.02 -1.26 -3.92 119.74 118.65 1okd s LYS 13 Ca 0.00 -1.68 0.05 0.00 0.02 0.00 0.00 55.97 54.36 1okd s LYS 13 Cb 0.00 -0.56 -0.05 0.00 -0.52 0.00 0.00 37.83 36.70 1okd s LYS 13 CO 0.00 -0.12 -0.02 -0.51 -0.92 0.00 0.00 175.35 173.78 1okd s LEU 14 N -3.30 2.31 -0.58 3.17 1.02 -0.63 -4.61 118.68 116.05 1okd s LEU 14 Ca 0.29 -1.22 -0.18 0.00 0.02 0.00 0.00 54.13 53.04 1okd s LEU 14 Cb 0.06 -0.42 0.11 0.00 0.02 0.00 0.00 46.19 45.97 1okd s LEU 14 CO 0.09 -0.45 0.65 -0.13 0.02 0.00 0.00 176.35 176.52 1okd s ARG 15 N -3.81 3.04 0.53 1.70 1.81 0.29 -2.15 118.95 120.36 1okd s ARG 15 Ca 0.29 -1.46 -0.05 0.00 -1.72 0.00 0.00 55.73 52.79 1okd s ARG 15 Cb 0.05 -4.28 -0.02 0.00 -0.45 0.00 0.00 34.95 30.25 1okd s ARG 15 CO 0.10 -1.48 0.84 0.50 -0.68 0.00 0.00 175.30 174.58 1okd s ARG 16 N 2.33 3.26 0.00 3.54 6.06 0.19 -0.63 118.95 133.71 1okd s ARG 16 Ca 0.09 0.11 0.00 0.00 -2.50 0.00 0.00 55.73 53.43 1okd s ARG 16 Cb -0.26 -2.33 0.00 0.00 0.06 0.00 0.00 34.95 32.43 1okd s ARG 16 CO 0.05 -0.43 0.65 0.41 -2.50 0.00 0.00 175.30 173.48 1okd n GLY 17 N -2.41 -3.24 0.30 8.12 0.00 0.60 -2.45 105.19 106.11 1okd n GLY 17 Ca 0.02 0.45 0.11 0.00 0.00 0.00 0.00 46.02 46.60 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 -0.06 0.00 1.61 1.82 -1.93 -3.47 116.42 114.40 1okd h ASP 18 Ca 0.00 0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 1okd h ASP 18 Cb 0.00 0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.29 1okd h ASP 18 CO 0.00 -0.15 0.00 0.61 -1.61 0.00 0.00 179.24 178.09 1okd n GLY 19 N -1.39 0.96 3.91 -0.78 0.00 -1.02 -5.16 105.19 101.71 1okd n GLY 19 Ca 0.20 0.33 -0.31 0.00 0.00 0.00 0.00 46.02 46.24 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 3.63 3.56 0.01 1.61 8.01 -1.26 0.55 118.70 134.80 1okd s GLU 20 Ca 0.00 -0.21 -0.08 0.00 0.01 0.00 0.00 54.97 54.70 1okd s GLU 20 Cb 0.00 -2.91 0.00 0.00 -4.31 0.00 0.00 34.13 26.91 1okd s GLU 20 CO 0.00 0.51 0.15 0.08 0.01 0.00 0.00 175.26 176.01 1okd s VAL 21 N -1.61 0.09 0.43 2.63 1.01 -0.91 -4.77 120.40 117.26 1okd s VAL 21 Ca 0.39 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 1okd s VAL 21 Cb -0.12 -0.53 -0.08 0.00 0.00 0.00 0.00 36.38 35.64 1okd s VAL 21 CO 0.26 -0.41 0.86 -1.83 0.00 0.00 0.00 175.10 173.98 1okd s GLU 22 N -1.62 3.94 0.24 2.72 -1.05 -1.26 -1.60 118.70 120.07 1okd s GLU 22 Ca -0.13 0.77 0.05 0.00 -0.15 0.00 0.00 54.97 55.50 1okd s GLU 22 Cb -0.06 -2.28 0.26 0.00 -0.44 0.00 0.00 34.13 31.61 1okd s GLU 22 CO 0.01 -0.08 1.57 0.28 0.95 0.00 0.00 175.26 177.99 1okd h VAL 23 N 1.32 1.38 -0.58 1.83 2.07 -1.93 -3.05 116.25 117.29 1okd h VAL 23 Ca -0.47 -1.95 0.17 0.00 0.82 0.00 0.00 66.70 65.26 1okd h VAL 23 Cb 1.18 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 1okd h VAL 23 CO 0.63 0.58 0.54 0.50 0.02 0.00 0.00 177.57 179.84 1okd h LYS 24 N 0.18 0.00 0.00 1.57 3.64 -1.94 0.13 116.57 120.15 1okd h LYS 24 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1okd h LYS 24 Cb 1.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1okd h LYS 24 CO 0.09 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.93 1okd h SER 25 N 0.00 0.00 0.03 4.20 4.64 -1.94 -2.07 113.55 118.41 1okd h SER 25 Ca 0.27 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.21 1okd h SER 25 Cb 1.36 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.39 1okd h SER 25 CO -0.00 0.00 -2.37 0.18 -0.87 0.00 0.00 176.83 173.76 1okd n LEU 26 N -2.59 2.64 0.00 5.97 4.77 0.45 -4.98 117.00 123.26 1okd n LEU 26 Ca -0.02 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1okd n LEU 26 Cb 0.06 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 1okd n LEU 26 CO 0.14 0.88 0.00 0.00 -1.33 0.00 0.00 177.39 177.08 1okd n ALA 27 N -3.16 0.00 -0.20 -1.18 0.00 -0.78 -2.41 120.51 112.77 1okd n ALA 27 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1okd n ALA 27 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.47 1okd n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1okd n GLY 28 N 0.00 0.75 3.43 0.00 0.00 -1.26 -4.99 105.19 103.12 1okd n GLY 28 Ca 0.00 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.17 1.28 -0.54 1.61 -2.85 -1.01 -4.92 119.74 112.14 1okd s LYS 29 Ca 0.00 -0.53 -0.28 0.00 -1.00 0.00 0.00 55.97 54.17 1okd s LYS 29 Cb 0.00 0.58 0.01 0.00 -2.06 0.00 0.00 37.83 36.35 1okd s LYS 29 CO 0.00 -0.55 1.49 -1.17 0.10 0.00 0.00 175.35 175.21 1okd s LEU 30 N -2.77 3.41 -0.34 2.77 2.96 -1.26 -3.26 118.68 120.18 1okd s LEU 30 Ca 0.02 0.39 -0.10 0.00 -0.22 0.00 0.00 54.13 54.21 1okd s LEU 30 Cb -0.01 -3.05 0.01 0.00 0.50 0.00 0.00 46.19 43.64 1okd s LEU 30 CO -0.12 -1.77 0.18 -0.69 -1.32 0.00 0.00 176.35 172.64 1okd s VAL 31 N 6.40 4.63 0.55 1.68 1.01 -0.80 -2.89 120.40 130.99 1okd s VAL 31 Ca 0.56 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.87 1okd s VAL 31 Cb -0.12 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 1okd s VAL 31 CO 0.25 -0.08 0.88 -0.36 0.00 0.00 0.00 175.10 175.79 1okd s PHE 32 N 1.59 3.42 -0.21 5.22 0.40 -1.10 -2.19 117.98 125.10 1okd s PHE 32 Ca 0.04 0.79 -0.05 0.00 -0.60 0.00 0.00 56.93 57.11 1okd s PHE 32 Cb -0.18 -2.57 0.08 0.00 0.51 0.00 0.00 43.02 40.85 1okd s PHE 32 CO 0.07 -0.60 0.11 -0.06 0.70 0.00 0.00 175.22 175.44 1okd s PHE 33 N -2.92 0.19 -0.41 0.36 0.08 2.06 -0.71 117.98 116.62 1okd s PHE 33 Ca 0.52 -0.46 -0.20 0.00 0.12 0.00 0.00 56.93 56.91 1okd s PHE 33 Cb -0.10 -0.73 0.02 0.00 -0.57 0.00 0.00 43.02 41.63 1okd s PHE 33 CO 0.46 -0.62 0.58 -0.47 -0.10 0.00 0.00 175.22 175.07 1okd s TYR 34 N 2.14 3.11 -0.18 0.36 6.14 1.39 -2.54 117.35 127.78 1okd s TYR 34 Ca 0.05 -0.00 -0.17 0.00 0.64 0.00 0.00 57.07 57.58 1okd s TYR 34 Cb -0.16 -3.17 -0.04 0.00 0.42 0.00 0.00 41.96 39.02 1okd s TYR 34 CO -0.18 -0.75 0.46 -0.06 0.64 0.00 0.00 175.55 175.66 1okd s PHE 35 N 2.61 3.41 0.03 4.97 0.40 -0.29 0.11 117.98 129.22 1okd s PHE 35 Ca 0.20 0.75 -0.27 0.00 -0.60 0.00 0.00 56.93 57.01 1okd s PHE 35 Cb -0.15 -2.58 0.10 0.00 0.51 0.00 0.00 43.02 40.90 1okd s PHE 35 CO 0.16 0.01 1.23 -1.54 0.70 0.00 0.00 175.22 175.79 1okd s SER 36 N 0.95 -0.01 0.14 1.36 1.04 -0.04 -1.60 113.70 115.54 1okd s SER 36 Ca 0.23 -0.29 -0.01 0.00 0.48 0.00 0.00 55.95 56.36 1okd s SER 36 Cb -0.15 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 1okd s SER 36 CO 0.09 -0.44 0.05 0.00 0.98 0.00 0.00 173.24 173.92 1okd s ALA 37 N -2.15 0.93 -0.55 5.32 0.00 -1.26 0.56 121.76 124.61 1okd s ALA 37 Ca 0.25 -1.49 0.05 0.00 0.00 0.00 0.00 51.96 50.76 1okd s ALA 37 Cb 0.00 0.83 0.33 0.00 0.00 0.00 0.00 23.12 24.28 1okd s ALA 37 CO -0.00 -0.47 1.12 0.45 0.00 0.00 0.00 175.76 176.86 1okd n SER 38 N -0.12 3.07 0.00 0.00 2.88 -1.26 -3.88 113.62 114.31 1okd n SER 38 Ca -0.06 -2.46 0.00 0.00 -1.33 0.00 0.00 58.87 55.02 1okd n SER 38 Cb 0.64 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 1okd n SER 38 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1okd n TRP 39 N 0.14 0.00 -0.88 0.66 7.02 -1.26 -5.05 117.44 118.07 1okd n TRP 39 Ca 0.15 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.28 1okd n TRP 39 Cb 0.74 0.00 0.09 0.00 -2.42 0.00 0.00 31.31 29.71 1okd n TRP 39 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1okd h PRO 41 N -1.37 -0.57 0.00 0.00 0.11 -1.94 -3.39 132.00 124.85 1okd h PRO 41 Ca -0.45 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1okd h PRO 41 Cb 1.33 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.57 1okd h PRO 41 CO 0.29 -0.28 0.00 -2.30 -0.21 0.00 0.00 178.00 175.50 1okd n PRO 42 N -5.25 0.00 -0.04 1.05 -0.02 -1.26 -4.75 135.00 124.72 1okd n PRO 42 Ca -0.11 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1okd n PRO 42 Cb 0.29 -0.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.84 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 -0.01 0.00 -0.06 0.00 1.85 -1.26 -4.92 116.66 112.26 1okd n ARG 44 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.64 1okd n ARG 44 Cb 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.28 1okd n ARG 44 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1okd h GLY 45 N 0.00 0.12 -7.01 2.89 0.00 -1.97 -3.45 103.07 93.65 1okd h GLY 45 Ca 0.00 -0.31 -0.56 0.00 0.00 0.00 0.00 47.33 46.46 1okd h GLY 45 CO 0.00 0.28 1.26 -0.12 0.00 0.00 0.00 176.54 177.96 1okd s PHE 46 N -2.43 1.87 0.16 5.60 2.19 -1.26 -4.26 117.98 119.86 1okd s PHE 46 Ca -0.25 0.67 0.00 0.00 0.33 0.00 0.00 56.93 57.68 1okd s PHE 46 Cb 0.05 -4.15 0.00 0.00 -1.31 0.00 0.00 43.02 37.62 1okd s PHE 46 CO 0.67 -2.65 0.00 2.41 1.83 0.00 0.00 175.22 177.48 1okd n THR 47 N 7.32 0.00 1.35 0.12 -1.04 -1.26 -4.95 114.28 115.81 1okd n THR 47 Ca 0.21 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.32 1okd n THR 47 Cb 0.48 0.00 0.58 0.00 -1.82 0.00 0.00 70.33 69.57 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 -3.16 0.67 0.08 -2.82 -0.04 -1.26 -3.01 135.00 125.47 1okd n PRO 48 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 1okd n PRO 48 Cb 0.00 -1.45 -0.07 0.00 -0.04 0.00 0.00 33.50 31.93 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 0.38 -0.01 0.54 7.50 -1.92 -2.93 115.11 118.67 1okd h GLN 49 Ca 0.00 -0.46 -0.01 0.00 0.50 0.00 0.00 58.65 58.68 1okd h GLN 49 Cb 0.00 0.14 -0.00 0.00 0.05 0.00 0.00 27.48 27.67 1okd h GLN 49 CO 0.00 1.14 -0.02 1.25 -1.50 0.00 0.00 178.83 179.71 1okd h LEU 50 N 0.19 0.04 -0.52 1.46 7.12 -1.90 -1.37 115.31 120.33 1okd h LEU 50 Ca -0.10 -0.51 0.06 0.00 0.13 0.00 0.00 57.88 57.46 1okd h LEU 50 Cb 1.69 -0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 41.76 1okd h LEU 50 CO 0.18 0.54 0.23 0.40 -0.13 0.00 0.00 178.44 179.66 1okd h ILE 51 N -0.46 0.90 0.07 4.05 1.08 -1.69 0.73 117.51 122.18 1okd h ILE 51 Ca 0.00 -0.15 -0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1okd h ILE 51 Cb 0.53 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 34.70 1okd h ILE 51 CO 0.00 0.08 -0.03 -0.08 -0.69 0.00 0.00 178.15 177.43 1okd h GLU 52 N 0.45 -0.09 -0.08 2.37 4.22 -1.57 0.76 114.58 120.64 1okd h GLU 52 Ca 0.24 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.67 1okd h GLU 52 Cb 0.20 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1okd h GLU 52 CO -0.20 0.32 -0.00 0.35 -2.18 0.00 0.00 179.01 177.29 1okd h PHE 53 N -0.51 0.11 0.00 0.92 3.57 -1.04 -0.58 116.94 119.41 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 0.44 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1okd h PHE 53 CO 0.06 0.13 -0.10 -0.92 -2.23 0.00 0.00 178.31 175.25 1okd h TYR 54 N 0.12 0.00 -0.28 0.41 3.20 0.60 -3.34 116.97 117.68 1okd h TYR 54 Ca 0.03 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.98 1okd h TYR 54 Cb 0.09 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1okd h TYR 54 CO 0.00 0.00 0.27 -0.44 -1.64 0.00 0.00 178.16 176.35 1okd h ASP 55 N -0.74 0.00 0.54 -2.11 5.19 0.53 1.50 116.42 121.33 1okd h ASP 55 Ca 0.00 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.28 1okd h ASP 55 Cb 0.10 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 1okd h ASP 55 CO 0.00 0.00 -0.58 0.11 -3.12 0.00 0.00 179.24 175.65 1okd h LYS 56 N 0.00 0.05 0.00 3.56 1.79 -1.26 -3.37 116.57 117.34 1okd h LYS 56 Ca 0.13 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1okd h LYS 56 Cb 0.68 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 1okd h LYS 56 CO -0.00 0.62 0.00 1.19 -1.08 0.00 0.00 179.45 180.17 1okd n PHE 57 N -3.85 0.00 -0.00 -1.35 3.01 -0.66 -4.83 117.46 109.77 1okd n PHE 57 Ca -0.01 -0.02 0.23 0.00 1.01 0.00 0.00 57.45 58.66 1okd n PHE 57 Cb 0.59 -0.00 0.70 0.00 -0.01 0.00 0.00 39.48 40.76 1okd n PHE 57 CO 0.00 0.00 0.00 1.12 1.01 0.00 0.00 176.76 178.89 1okd h HIS 58 N 0.00 0.00 0.00 1.38 2.07 0.19 0.93 115.15 119.72 1okd h HIS 58 Ca 0.00 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.31 1okd h HIS 58 Cb 0.58 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.53 1okd h HIS 58 CO 0.00 0.00 -1.00 0.93 -3.07 0.00 0.00 177.93 174.79 1okd h GLU 59 N 0.00 0.00 0.05 5.12 5.08 -1.85 -0.55 114.58 122.43 1okd h GLU 59 Ca 0.28 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.29 1okd h GLU 59 Cb 1.47 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.68 1okd h GLU 59 CO -0.00 0.99 -2.00 0.45 -1.00 0.00 0.00 179.01 177.45 1okd n SER 60 N -3.35 2.01 0.09 1.42 2.88 0.14 -4.40 113.62 112.41 1okd n SER 60 Ca -0.00 0.20 -0.02 0.00 -1.33 0.00 0.00 58.87 57.72 1okd n SER 60 Cb 0.94 -0.79 -0.05 0.00 -0.75 0.00 0.00 64.21 63.56 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 -0.34 0.00 -6.27 -1.46 1.57 0.45 -3.49 116.57 107.04 1okd h LYS 61 Ca -0.48 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 57.93 1okd h LYS 61 Cb 1.78 0.00 0.04 0.00 0.08 0.00 0.00 32.23 34.13 1okd h LYS 61 CO -0.09 0.63 -0.80 -1.71 -0.57 0.00 0.00 179.45 176.91 1okd n ASN 62 N -3.20 -5.60 -4.38 0.86 5.15 -0.21 -4.94 115.26 102.93 1okd n ASN 62 Ca -0.02 -0.84 -0.20 0.00 -0.60 0.00 0.00 54.58 52.92 1okd n ASN 62 Cb 0.84 -3.12 -0.10 0.00 -0.53 0.00 0.00 39.78 36.87 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 -3.24 1.81 0.21 1.20 0.08 -1.26 -4.68 117.98 112.11 1okd s PHE 63 Ca 0.24 -1.06 0.04 0.00 0.12 0.00 0.00 56.93 56.28 1okd s PHE 63 Cb -0.10 -1.14 -0.05 0.00 -0.57 0.00 0.00 43.02 41.16 1okd s PHE 63 CO 0.86 -0.13 -0.03 -2.00 -0.10 0.00 0.00 175.22 173.82 1okd s GLU 64 N -3.93 1.29 -0.04 0.44 2.56 -1.14 -4.94 118.70 112.94 1okd s GLU 64 Ca 0.36 -1.63 0.01 0.00 0.00 0.00 0.00 54.97 53.71 1okd s GLU 64 Cb 0.08 -0.65 0.02 0.00 2.00 0.00 0.00 34.13 35.59 1okd s GLU 64 CO 0.15 -0.05 -0.02 0.08 -0.56 0.00 0.00 175.26 174.86 1okd s VAL 65 N -3.38 0.35 -0.07 3.70 1.01 -1.26 -2.72 120.40 118.03 1okd s VAL 65 Ca 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 1okd s VAL 65 Cb 0.05 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 1okd s VAL 65 CO 0.07 0.18 -0.01 -0.69 0.00 0.00 0.00 175.10 174.65 1okd s VAL 66 N 0.98 4.15 -0.42 2.92 1.01 0.11 -2.48 120.40 126.67 1okd s VAL 66 Ca -0.10 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 1okd s VAL 66 Cb -0.14 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.52 1okd s VAL 66 CO -0.01 0.57 0.31 0.12 0.00 0.00 0.00 175.10 176.09 1okd s PHE 67 N -0.90 3.24 -0.06 5.22 5.36 0.23 -1.90 117.98 129.17 1okd s PHE 67 Ca 0.14 -0.71 -0.28 0.00 -0.96 0.00 0.00 56.93 55.12 1okd s PHE 67 Cb -0.11 -2.70 -0.02 0.00 -0.34 0.00 0.00 43.02 39.84 1okd s PHE 67 CO 0.03 -0.64 0.91 0.00 -1.46 0.00 0.00 175.22 174.06 1okd s THR 69 N 1.39 5.24 -0.20 0.00 -1.32 -1.26 -0.86 115.64 118.64 1okd s THR 69 Ca 0.46 -0.86 0.23 0.00 -1.21 0.00 0.00 61.69 60.31 1okd s THR 69 Cb -0.19 -3.85 0.48 0.00 -1.51 0.00 0.00 72.50 67.43 1okd s THR 69 CO 0.21 -0.34 1.15 0.79 -2.21 0.00 0.00 174.62 174.21 1okd n TRP 70 N -1.38 0.75 -1.90 9.09 7.02 0.19 -4.67 117.44 126.54 1okd n TRP 70 Ca -0.08 -1.69 -0.29 0.00 -1.02 0.00 0.00 57.50 54.42 1okd n TRP 70 Cb 0.57 -0.10 0.08 0.00 -2.42 0.00 0.00 31.31 29.44 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 -3.17 4.63 -0.14 -0.99 -4.77 -1.26 -4.65 116.67 106.32 1okd s ASP 71 Ca 0.27 0.82 0.09 0.00 -3.30 0.00 0.00 52.55 50.43 1okd s ASP 71 Cb 0.34 -1.35 -0.15 0.00 -1.09 0.00 0.00 42.92 40.67 1okd s ASP 71 CO -0.08 -1.83 -0.01 -0.62 0.70 0.00 0.00 175.17 173.34 1okd n GLU 72 N -3.27 1.49 -4.42 2.11 -0.58 -1.26 -5.02 120.64 109.68 1okd n GLU 72 Ca 0.08 0.02 -0.22 0.00 -0.42 0.00 0.00 57.16 56.62 1okd n GLU 72 Cb 0.60 -1.33 -0.10 0.00 -0.57 0.00 0.00 31.44 30.04 1okd n GLU 72 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1okd s GLU 73 N -2.32 1.55 0.36 3.49 2.56 -1.26 -5.04 118.70 118.04 1okd s GLU 73 Ca -0.11 -1.71 0.18 0.00 0.00 0.00 0.00 54.97 53.33 1okd s GLU 73 Cb 0.04 -1.48 0.61 0.00 2.00 0.00 0.00 34.13 35.31 1okd s GLU 73 CO 0.49 0.25 1.70 0.93 -0.56 0.00 0.00 175.26 178.07 1okd h GLU 74 N 2.37 0.00 -0.73 4.30 5.08 -2.00 -3.20 114.58 120.40 1okd h GLU 74 Ca -0.39 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.00 1okd h GLU 74 Cb 1.24 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 1okd h GLU 74 CO 0.62 0.39 0.46 0.22 -1.00 0.00 0.00 179.01 179.69 1okd h ASP 75 N 0.00 0.75 0.36 1.42 1.82 -1.99 -1.82 116.42 116.94 1okd h ASP 75 Ca -0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 1okd h ASP 75 Cb 0.95 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.81 1okd h ASP 75 CO 0.05 0.51 -0.17 1.23 -1.61 0.00 0.00 179.24 179.25 1okd h GLY 76 N 0.89 -0.50 0.61 -0.78 0.00 -1.97 -2.49 103.07 98.83 1okd h GLY 76 Ca 0.29 0.19 0.19 0.00 0.00 0.00 0.00 47.33 48.00 1okd h GLY 76 CO -0.11 -0.18 0.51 -2.75 0.00 0.00 0.00 176.54 174.00 1okd h PHE 77 N -0.91 0.00 0.12 5.60 3.57 -1.59 -0.96 116.94 122.77 1okd h PHE 77 Ca -0.05 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1okd h PHE 77 Cb 0.53 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1okd h PHE 77 CO 0.03 0.00 -0.06 0.00 -2.23 0.00 0.00 178.31 176.05 1okd h ALA 78 N 1.60 -0.16 0.00 2.41 0.00 -1.27 0.42 119.26 122.25 1okd h ALA 78 Ca 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1okd h ALA 78 Cb 1.33 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1okd h ALA 78 CO -0.00 -0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.40 1okd n GLY 79 N 0.70 -0.84 0.10 0.00 0.00 -0.76 -1.06 105.19 103.33 1okd n GLY 79 Ca -0.08 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.19 0.13 0.19 1.61 4.19 -0.44 -4.34 117.16 116.32 1okd n TYR 80 Ca -0.01 0.05 0.08 0.00 3.31 0.00 0.00 57.90 61.33 1okd n TYR 80 Cb 0.03 -1.02 0.14 0.00 0.49 0.00 0.00 39.34 38.99 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 0.00 0.00 -1.00 2.98 -0.00 0.15 -3.31 116.94 115.77 1okd h PHE 81 Ca -0.51 0.00 0.27 0.00 -0.00 0.00 0.00 57.97 57.73 1okd h PHE 81 Cb 2.21 0.00 -0.13 0.00 -0.00 0.00 0.00 35.95 38.03 1okd h PHE 81 CO 0.00 0.20 0.57 0.00 -0.00 0.00 0.00 178.31 179.09 1okd h ALA 82 N 1.80 1.82 -3.00 12.09 0.00 -1.47 -3.41 119.26 127.09 1okd h ALA 82 Ca -0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1okd h ALA 82 Cb 1.12 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1okd h ALA 82 CO 0.03 -0.37 0.00 0.36 0.00 0.00 0.00 179.25 179.26 1okd n LYS 83 N -4.95 3.55 -1.63 0.00 2.85 -1.25 -4.98 118.16 111.75 1okd n LYS 83 Ca 0.28 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.54 1okd n LYS 83 Cb 0.82 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.20 1okd n LYS 83 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1okd n MET 84 N 0.00 0.00 0.09 -1.58 0.00 -1.26 -4.84 117.12 109.53 1okd n MET 84 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 57.70 57.64 1okd n MET 84 Cb 0.00 -0.41 0.09 0.00 0.00 0.00 0.00 33.22 32.90 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 3.78 0.22 -6.46 3.17 0.13 -1.93 -3.38 132.00 127.53 1okd h PRO 85 Ca 0.00 -0.17 -0.52 0.00 -0.87 0.00 0.00 66.00 64.44 1okd h PRO 85 Cb 0.00 0.03 0.23 0.00 0.13 0.00 0.00 31.00 31.39 1okd h PRO 85 CO 0.00 0.82 -1.27 -2.67 -0.23 0.00 0.00 178.00 174.64 1okd n TRP 86 N -3.81 -2.49 -2.96 1.56 2.14 -1.26 -0.29 117.44 110.32 1okd n TRP 86 Ca -0.03 0.19 -0.35 0.00 2.07 0.00 0.00 57.50 59.38 1okd n TRP 86 Cb 0.67 -1.60 -0.06 0.00 -0.81 0.00 0.00 31.31 29.51 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 2.42 4.21 -0.02 5.67 1.43 -1.04 -3.97 118.68 127.38 1okd s LEU 87 Ca 0.50 1.56 0.00 0.00 -1.03 0.00 0.00 54.13 55.16 1okd s LEU 87 Cb -0.15 -3.99 0.02 0.00 0.03 0.00 0.00 46.19 42.09 1okd s LEU 87 CO 0.71 -0.12 -0.00 0.00 0.23 0.00 0.00 176.35 177.17 1okd s ALA 88 N -1.77 0.23 -0.01 4.21 0.00 0.20 0.75 121.76 125.37 1okd s ALA 88 Ca 0.51 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 52.27 1okd s ALA 88 Cb -0.14 -0.21 -0.07 0.00 0.00 0.00 0.00 23.12 22.69 1okd s ALA 88 CO 0.19 -0.03 1.87 0.08 0.00 0.00 0.00 175.76 177.87 1okd s VAL 89 N 0.64 3.22 0.77 0.00 1.01 -1.23 0.11 120.40 124.91 1okd s VAL 89 Ca -0.06 0.26 -0.14 0.00 0.00 0.00 0.00 61.98 62.04 1okd s VAL 89 Cb -0.09 -3.17 0.06 0.00 0.00 0.00 0.00 36.38 33.18 1okd s VAL 89 CO -0.01 -0.03 1.19 -2.16 0.00 0.00 0.00 175.10 174.09 1okd s PRO 90 N 4.43 1.90 0.57 2.72 0.04 -1.26 -4.77 135.00 138.63 1okd s PRO 90 Ca 0.84 1.71 0.32 0.00 0.04 0.00 0.00 61.00 63.90 1okd s PRO 90 Cb -0.39 -1.81 1.44 0.00 0.04 0.00 0.00 34.50 33.78 1okd s PRO 90 CO 0.37 -2.01 1.79 0.35 0.04 0.00 0.00 177.00 177.55 1okd h PHE 91 N -0.66 0.00 -0.95 0.56 3.04 -1.99 0.32 116.94 117.27 1okd h PHE 91 Ca -0.47 0.00 0.19 0.00 3.98 0.00 0.00 57.97 61.68 1okd h PHE 91 Cb 1.29 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 39.72 1okd h PHE 91 CO 0.48 0.00 0.61 0.00 -2.02 0.00 0.00 178.31 177.38 1okd h ALA 92 N 1.34 1.96 -0.12 2.41 0.00 -2.01 -1.25 119.26 121.60 1okd h ALA 92 Ca 0.39 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 1okd h ALA 92 Cb 1.83 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 1okd h ALA 92 CO -0.00 -0.28 -0.23 1.04 0.00 0.00 0.00 179.25 179.78 1okd n GLN 93 N -4.61 1.71 0.28 0.00 1.13 0.09 -4.70 117.38 111.28 1okd n GLN 93 Ca 0.21 -3.08 0.12 0.00 -1.94 0.00 0.00 57.00 52.31 1okd n GLN 93 Cb 0.63 -1.67 0.78 0.00 0.11 0.00 0.00 30.24 30.09 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 0.86 0.00 -0.74 1.08 4.64 -1.08 -1.44 113.55 116.86 1okd h SER 94 Ca 0.06 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.53 1okd h SER 94 Cb 1.22 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.26 1okd h SER 94 CO 0.13 0.01 0.50 -0.08 -0.87 0.00 0.00 176.83 176.52 1okd h GLU 95 N 0.00 0.38 -0.79 4.77 4.81 -1.84 0.67 114.58 122.58 1okd h GLU 95 Ca -0.00 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1okd h GLU 95 Cb 0.03 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 1okd h GLU 95 CO 0.00 0.25 0.31 0.00 -0.73 0.00 0.00 179.01 178.85 1okd h ALA 96 N 1.65 1.03 -0.55 2.92 0.00 -1.64 -2.46 119.26 120.21 1okd h ALA 96 Ca 0.36 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1okd h ALA 96 Cb 0.86 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1okd h ALA 96 CO -0.11 0.66 0.36 0.28 0.00 0.00 0.00 179.25 180.44 1okd h VAL 97 N 1.16 0.99 -0.13 0.00 2.07 -0.97 1.57 116.25 120.94 1okd h VAL 97 Ca 0.26 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.49 1okd h VAL 97 Cb 0.22 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1okd h VAL 97 CO -0.02 0.09 -0.37 1.56 0.02 0.00 0.00 177.57 178.85 1okd h GLN 98 N 0.52 0.48 0.13 1.57 4.20 -1.33 -3.13 115.11 117.55 1okd h GLN 98 Ca 0.23 -0.35 -0.28 0.00 0.06 0.00 0.00 58.65 58.32 1okd h GLN 98 Cb 0.27 0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.12 1okd h GLN 98 CO -0.06 0.96 -1.25 0.87 -0.67 0.00 0.00 178.83 178.68 1okd h LYS 99 N 0.09 0.34 -0.70 1.46 1.79 -1.10 -3.32 116.57 115.14 1okd h LYS 99 Ca -0.01 -0.55 0.13 0.00 -2.18 0.00 0.00 60.65 58.04 1okd h LYS 99 Cb 0.99 0.20 -0.09 0.00 -1.58 0.00 0.00 32.23 31.75 1okd h LYS 99 CO 0.08 1.25 0.25 1.25 -1.08 0.00 0.00 179.45 181.20 1okd h LEU 100 N 0.11 0.21 -1.60 2.94 5.85 0.22 0.73 115.31 123.78 1okd h LEU 100 Ca -0.15 0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.77 1okd h LEU 100 Cb 1.96 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 43.04 1okd h LEU 100 CO 0.21 0.09 0.42 0.77 -0.34 0.00 0.00 178.44 179.59 1okd h SER 101 N 0.40 0.41 -0.35 1.25 4.64 -1.63 0.02 113.55 118.29 1okd h SER 101 Ca 0.37 0.01 0.10 0.00 -0.47 0.00 0.00 61.79 61.80 1okd h SER 101 Cb 0.54 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1okd h SER 101 CO -0.38 0.25 0.25 0.50 -0.87 0.00 0.00 176.83 176.58 1okd h LYS 102 N 0.45 0.00 0.00 4.77 3.11 -0.98 0.90 116.57 124.82 1okd h LYS 102 Ca 0.29 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.94 1okd h LYS 102 Cb 0.53 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.73 1okd h LYS 102 CO -0.08 0.00 -0.91 0.45 -2.81 0.00 0.00 179.45 176.10 1okd h HIS 103 N 0.00 0.00 -0.17 1.91 3.86 -1.02 -3.23 115.15 116.51 1okd h HIS 103 Ca 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1okd h HIS 103 Cb 0.67 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1okd h HIS 103 CO 0.00 0.91 0.00 1.19 0.86 0.00 0.00 177.93 180.89 1okd n PHE 104 N -3.41 0.19 -3.60 2.45 3.72 0.15 -4.96 117.46 112.01 1okd n PHE 104 Ca -0.00 -0.10 -0.27 0.00 -0.05 0.00 0.00 57.45 57.03 1okd n PHE 104 Cb 0.88 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.43 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 1.33 -4.64 -4.52 4.37 4.05 0.29 -4.78 115.26 111.34 1okd n ASN 105 Ca 0.15 -0.57 -0.41 0.00 0.45 0.00 0.00 54.58 54.20 1okd n ASN 105 Cb 0.57 -3.75 -0.06 0.00 1.23 0.00 0.00 39.78 37.77 1okd n ASN 105 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1okd n VAL 106 N -4.40 0.04 0.15 3.44 0.31 -0.90 -4.83 118.33 112.14 1okd n VAL 106 Ca 0.00 -0.50 -0.14 0.00 -0.01 0.00 0.00 64.34 63.70 1okd n VAL 106 Cb 0.54 -2.10 -0.07 0.00 -0.91 0.00 0.00 33.84 31.30 1okd n VAL 106 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1okd h GLU 107 N 16.12 -0.39 -1.77 5.55 4.39 -1.92 -3.46 114.58 133.09 1okd h GLU 107 Ca -0.23 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.52 1okd h GLU 107 Cb 1.28 0.09 -0.21 0.00 -0.10 0.00 0.00 28.75 29.81 1okd h GLU 107 CO 1.15 -0.26 0.40 -1.12 -1.16 0.00 0.00 179.01 178.02 1okd s SER 108 N -4.85 -0.49 0.56 1.42 0.01 -1.26 -5.17 113.70 103.92 1okd s SER 108 Ca -0.15 0.51 -0.12 0.00 1.31 0.00 0.00 55.95 57.51 1okd s SER 108 Cb 0.06 0.40 -0.05 0.00 0.21 0.00 0.00 66.02 66.64 1okd s SER 108 CO 0.65 -0.46 0.96 0.27 0.41 0.00 0.00 173.24 175.07 1okd s ILE 109 N -1.23 4.70 0.48 1.44 -5.25 -1.26 -4.48 121.20 115.59 1okd s ILE 109 Ca -0.05 0.85 -0.08 0.00 -0.99 0.00 0.00 60.65 60.37 1okd s ILE 109 Cb -0.00 -3.82 -0.05 0.00 2.95 0.00 0.00 42.46 41.54 1okd s ILE 109 CO 0.04 -0.94 0.82 -2.16 -1.79 0.00 0.00 174.94 170.91 1okd s PRO 110 N -4.74 3.64 0.19 0.37 0.04 -1.26 -4.97 135.00 128.27 1okd s PRO 110 Ca 0.55 0.39 -0.10 0.00 0.04 0.00 0.00 61.00 61.88 1okd s PRO 110 Cb -0.11 -2.33 -0.01 0.00 0.04 0.00 0.00 34.50 32.10 1okd s PRO 110 CO 0.45 -0.20 0.34 -0.08 0.04 0.00 0.00 177.00 177.55 1okd s THR 111 N -2.68 0.04 -0.12 1.26 -1.32 -0.62 -4.99 115.64 107.21 1okd s THR 111 Ca 0.50 -1.41 -0.06 0.00 -1.21 0.00 0.00 61.69 59.51 1okd s THR 111 Cb -0.10 -1.99 0.05 0.00 -1.51 0.00 0.00 72.50 68.95 1okd s THR 111 CO 0.41 -0.17 0.27 -0.22 -2.21 0.00 0.00 174.62 172.70 1okd s LEU 112 N -3.00 0.15 0.07 9.08 2.96 -1.26 -1.14 118.68 125.54 1okd s LEU 112 Ca 0.20 0.59 0.02 0.00 -0.22 0.00 0.00 54.13 54.72 1okd s LEU 112 Cb 0.02 0.80 -0.03 0.00 0.50 0.00 0.00 46.19 47.48 1okd s LEU 112 CO 0.04 -0.19 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.18 1okd s ILE 113 N 1.61 0.57 -0.06 6.68 1.01 -1.05 0.13 121.20 130.08 1okd s ILE 113 Ca -0.06 -1.50 0.04 0.00 0.00 0.00 0.00 60.65 59.13 1okd s ILE 113 Cb -0.11 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 1okd s ILE 113 CO -0.09 -0.64 -0.19 -0.83 0.00 0.00 0.00 174.94 173.19 1okd s GLY 114 N -2.30 1.42 0.17 6.18 0.00 -1.26 0.55 107.32 112.08 1okd s GLY 114 Ca 0.00 -1.00 0.03 0.00 0.00 0.00 0.00 44.72 43.75 1okd s GLY 114 CO -0.03 -0.65 -0.03 -1.34 0.00 0.00 0.00 173.10 171.05 1okd s VAL 115 N -0.35 0.90 -0.31 1.40 -7.23 -0.93 -1.76 120.40 112.11 1okd s VAL 115 Ca 0.03 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.08 1okd s VAL 115 Cb -0.12 -2.06 -0.01 0.00 0.56 0.00 0.00 36.38 34.74 1okd s VAL 115 CO 0.02 -0.55 0.17 -1.81 -0.31 0.00 0.00 175.10 172.62 1okd s ASP 116 N -3.19 5.67 0.04 4.85 1.01 -1.16 -1.90 116.67 121.98 1okd s ASP 116 Ca 0.22 -0.44 -0.25 0.00 0.71 0.00 0.00 52.55 52.79 1okd s ASP 116 Cb 0.05 -2.03 -0.17 0.00 1.01 0.00 0.00 42.92 41.77 1okd s ASP 116 CO 0.03 -0.18 1.48 0.00 0.21 0.00 0.00 175.17 176.72 1okd h ALA 117 N 8.37 -0.22 0.74 5.23 0.00 -1.91 0.56 119.26 132.03 1okd h ALA 117 Ca -0.33 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1okd h ALA 117 Cb 1.15 0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.04 1okd h ALA 117 CO 0.61 -0.52 -0.36 -0.44 0.00 0.00 0.00 179.25 178.54 1okd h ASP 118 N -0.43 -0.85 -0.62 0.00 5.19 -1.91 0.91 116.42 118.71 1okd h ASP 118 Ca -0.02 0.01 0.02 0.00 -0.62 0.00 0.00 57.03 56.42 1okd h ASP 118 Cb 0.33 0.22 -0.04 0.00 0.18 0.00 0.00 39.33 40.03 1okd h ASP 118 CO 0.04 -0.51 0.39 -1.28 -3.12 0.00 0.00 179.24 174.76 1okd h SER 119 N -1.18 0.65 -3.49 6.45 0.87 -1.97 -3.42 113.55 111.47 1okd h SER 119 Ca -0.10 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 1okd h SER 119 Cb 0.79 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1okd h SER 119 CO 0.17 0.46 -0.05 0.61 -0.53 0.00 0.00 176.83 177.48 1okd n GLY 120 N -1.27 -0.19 3.65 5.77 0.00 0.19 -4.86 105.19 108.49 1okd n GLY 120 Ca 0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 1okd n GLY 120 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1okd s ASP 121 N -2.47 -0.04 -0.02 1.61 1.11 -1.21 -4.87 116.67 110.77 1okd s ASP 121 Ca 0.03 0.07 -0.30 0.00 0.18 0.00 0.00 52.55 52.54 1okd s ASP 121 Cb -0.00 0.07 -0.08 0.00 1.07 0.00 0.00 42.92 43.98 1okd s ASP 121 CO 0.15 -0.02 2.04 0.52 1.18 0.00 0.00 175.17 179.05 1okd n VAL 122 N 1.42 0.67 0.14 -1.27 0.31 -1.26 -2.99 118.33 115.35 1okd n VAL 122 Ca -0.09 -0.22 0.10 0.00 -0.01 0.00 0.00 64.34 64.12 1okd n VAL 122 Cb 0.57 -2.38 -0.15 0.00 -0.91 0.00 0.00 33.84 30.97 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 6.10 0.00 -4.21 2.52 0.31 -1.12 -4.98 118.33 116.95 1okd n VAL 123 Ca 0.22 -0.40 -0.12 0.00 -0.01 0.00 0.00 64.34 64.04 1okd n VAL 123 Cb 0.42 0.19 -0.10 0.00 -0.91 0.00 0.00 33.84 33.44 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 -3.31 0.20 -0.34 2.52 -4.23 -0.72 -3.34 115.64 106.41 1okd s THR 124 Ca -0.05 -1.97 0.14 0.00 -1.18 0.00 0.00 61.69 58.63 1okd s THR 124 Cb 0.13 -2.34 0.42 0.00 1.34 0.00 0.00 72.50 72.05 1okd s THR 124 CO 0.83 -0.20 1.47 0.35 -0.54 0.00 0.00 174.62 176.53 1okd n THR 125 N -0.24 0.15 -2.64 3.99 -2.24 -1.26 -4.18 114.28 107.85 1okd n THR 125 Ca -0.02 -1.30 -0.03 0.00 -2.27 0.00 0.00 64.05 60.43 1okd n THR 125 Cb 0.65 1.03 0.00 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 -1.30 0.28 -0.00 -0.78 0.00 -1.25 -5.00 116.66 108.61 1okd n ARG 126 Ca -0.13 -0.73 0.06 0.00 -0.00 0.00 0.00 57.85 57.06 1okd n ARG 126 Cb 0.87 0.01 0.36 0.00 -0.00 0.00 0.00 32.46 33.70 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 -0.50 2.57 -0.06 2.89 0.00 0.34 -2.99 120.51 122.76 1okd n ALA 127 Ca -0.22 -0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.00 1okd n ALA 127 Cb 0.65 -1.19 -0.12 0.00 0.00 0.00 0.00 19.45 18.79 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 0.08 -0.01 0.12 0.00 0.11 -1.89 -3.05 114.38 109.75 1okd h ARG 128 Ca 0.00 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.76 1okd h ARG 128 Cb 0.02 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.09 1okd h ARG 128 CO 0.00 0.86 -1.64 0.00 0.10 0.00 0.00 179.97 179.30 1okd h ALA 129 N -0.04 0.31 -0.03 0.08 0.00 -1.92 -3.36 119.26 114.30 1okd h ALA 129 Ca -0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 54.91 53.72 1okd h ALA 129 Cb 0.87 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1okd h ALA 129 CO 0.00 1.17 -0.05 1.79 0.00 0.00 0.00 179.25 182.16 1okd h THR 130 N 0.07 1.42 -0.90 0.00 1.35 -1.72 0.66 112.91 113.79 1okd h THR 130 Ca -0.28 -1.31 0.20 0.00 -0.55 0.00 0.00 66.41 64.46 1okd h THR 130 Cb 2.03 2.22 -0.07 0.00 -1.73 0.00 0.00 68.15 70.60 1okd h THR 130 CO 0.15 0.35 0.59 0.25 -0.25 0.00 0.00 175.52 176.61 1okd h LEU 131 N -0.41 0.44 0.00 3.87 6.46 -1.73 0.23 115.31 124.16 1okd h LEU 131 Ca 0.00 0.04 -0.22 0.00 -0.12 0.00 0.00 57.88 57.59 1okd h LEU 131 Cb 0.60 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.46 1okd h LEU 131 CO 0.01 0.18 -1.18 1.62 -0.62 0.00 0.00 178.44 178.45 1okd h VAL 132 N 0.44 0.97 -0.04 1.05 3.04 -1.69 -3.38 116.25 116.64 1okd h VAL 132 Ca 0.47 -2.19 0.00 0.00 -1.01 0.00 0.00 66.70 63.97 1okd h VAL 132 Cb 1.11 2.29 0.00 0.00 -2.01 0.00 0.00 31.29 32.68 1okd h VAL 132 CO -0.18 0.33 0.00 0.29 -1.01 0.00 0.00 177.57 177.00 1okd n LYS 133 N -4.44 1.25 -3.64 4.17 4.76 0.23 -4.47 118.16 116.02 1okd n LYS 133 Ca -0.31 -0.22 -0.33 0.00 -2.87 0.00 0.00 58.31 54.58 1okd n LYS 133 Cb 0.67 -1.47 -0.08 0.00 -1.84 0.00 0.00 35.03 32.32 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 -0.02 4.01 -0.09 4.39 2.03 0.78 -4.88 116.55 122.76 1okd n ASP 134 Ca 0.02 -3.21 0.09 0.00 0.52 0.00 0.00 54.79 52.20 1okd n ASP 134 Cb 0.27 -0.94 0.48 0.00 -0.72 0.00 0.00 41.12 40.21 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 1.95 1.12 -0.02 -0.67 -0.04 -1.26 -3.52 135.00 132.57 1okd n PRO 135 Ca 0.23 -0.19 -0.01 0.00 -0.04 0.00 0.00 63.50 63.49 1okd n PRO 135 Cb 0.37 -1.29 -0.04 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.58 2.12 -1.80 0.54 1.02 -1.26 -4.99 120.64 115.69 1okd n GLU 136 Ca 0.13 -0.02 -0.17 0.00 -0.02 0.00 0.00 57.16 57.09 1okd n GLU 136 Cb 0.10 -1.14 -0.05 0.00 -0.02 0.00 0.00 31.44 30.34 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 2.50 0.88 0.11 0.62 0.00 -1.23 -4.81 105.19 103.27 1okd n GLY 137 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.37 0.23 -0.98 1.61 0.28 -1.26 -3.55 120.64 114.60 1okd n GLU 138 Ca -0.18 0.28 0.03 0.00 -0.16 0.00 0.00 57.16 57.14 1okd n GLU 138 Cb 0.58 -1.82 0.04 0.00 1.43 0.00 0.00 31.44 31.67 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 -2.23 0.22 -0.21 3.44 6.02 -1.26 -4.96 117.38 118.40 1okd n GLN 139 Ca 0.04 -1.80 0.10 0.00 -0.01 0.00 0.00 57.00 55.34 1okd n GLN 139 Cb 0.36 -0.41 0.20 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 0.06 0.42 0.17 1.08 -1.74 -1.23 0.35 117.46 116.57 1okd n PHE 140 Ca 0.06 0.72 0.01 0.00 -0.56 0.00 0.00 57.45 57.67 1okd n PHE 140 Cb 0.92 -0.97 0.05 0.00 1.52 0.00 0.00 39.48 41.00 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 -4.71 0.09 -0.78 3.97 -0.04 -1.26 -4.79 135.00 127.48 1okd n PRO 141 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1okd n PRO 141 Cb 0.50 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.82 0.00 -2.74 0.54 8.01 1.08 -4.21 117.44 119.31 1okd n TRP 142 Ca 0.01 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 55.99 1okd n TRP 142 Cb 0.01 0.00 0.03 0.00 -2.01 0.00 0.00 31.31 29.33 1okd n TRP 142 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.69 175.09 1okd s LYS 143 N -0.87 2.71 0.40 -0.99 -2.85 -1.21 -4.33 119.74 112.60 1okd s LYS 143 Ca 0.00 -0.68 -0.07 0.00 -1.00 0.00 0.00 55.97 54.23 1okd s LYS 143 Cb 0.00 -2.50 0.10 0.00 -2.06 0.00 0.00 37.83 33.37 1okd s LYS 143 CO 0.00 -0.58 0.24 -0.40 0.10 0.00 0.00 175.35 174.71 1okd n ASP 144 N -2.27 -2.59 -4.51 0.03 5.75 -1.26 -4.75 116.55 106.95 1okd n ASP 144 Ca 0.06 -0.24 -0.46 0.00 -0.01 0.00 0.00 54.79 54.14 1okd n ASP 144 Cb 0.59 -0.27 -0.05 0.00 -1.03 0.00 0.00 41.12 40.35 1okd n ASP 144 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1okd n ALA 145 N -3.78 1.26 -1.00 2.12 0.00 -1.26 -4.95 120.51 112.91 1okd n ALA 145 Ca -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1okd n ALA 145 Cb 0.16 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 16.86 1okd n ALA 145 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1okd n PRO 146 N 8.53 -0.65 0.00 0.00 -0.04 -1.26 -5.00 135.00 136.57 1okd n PRO 146 Ca 0.38 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1okd n PRO 146 Cb 0.34 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.80 1okd n PRO 146 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1okd n LEU 147 N 0.00 0.00 -4.58 1.53 7.99 -1.26 -4.76 117.00 115.92 1okd n LEU 147 Ca 0.00 0.51 -0.30 0.00 -0.01 0.00 0.00 56.01 56.21 1okd n LEU 147 Cb 0.00 -0.01 0.21 0.00 -0.11 0.00 0.00 43.42 43.51 1okd n LEU 147 CO 0.00 -0.01 0.60 -1.83 -1.51 0.00 0.00 177.39 174.65 1okd s GLU 148 N -1.03 0.06 0.00 3.23 4.04 -1.26 -5.30 118.70 118.44 1okd s GLU 148 Ca 0.00 1.23 0.00 0.00 0.04 0.00 0.00 54.97 56.24 1okd s GLU 148 Cb 0.00 -1.64 0.00 0.00 0.02 0.00 0.00 34.13 32.51 1okd s GLU 148 CO 0.00 -3.18 0.00 0.72 -1.84 0.00 0.00 175.26 170.96