#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 0.93 2.00 0.23 0.00 -1.35 -0.18 103.07 104.70 1okd h GLY 3 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1okd h GLY 3 CO 0.00 0.28 0.00 0.17 0.00 0.00 0.00 176.54 176.99 1okd h LEU 4 N 0.82 0.00 0.15 3.11 -0.00 -1.86 -1.64 115.31 115.88 1okd h LEU 4 Ca 0.27 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.82 1okd h LEU 4 Cb 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.72 1okd h LEU 4 CO -0.08 0.00 -1.73 -0.78 -0.00 0.00 0.00 178.44 175.86 1okd h ASP 5 N 0.00 0.49 0.89 0.17 3.58 -1.43 -3.35 116.42 116.77 1okd h ASP 5 Ca 0.00 -0.91 -0.08 0.00 0.42 0.00 0.00 57.03 56.46 1okd h ASP 5 Cb 0.49 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1okd h ASP 5 CO 0.00 1.76 -0.36 0.07 -2.88 0.00 0.00 179.24 177.83 1okd h LYS 6 N -0.04 0.00 -0.42 0.28 2.10 -1.22 -3.07 116.57 114.21 1okd h LYS 6 Ca -0.36 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.34 1okd h LYS 6 Cb 1.97 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 33.26 1okd h LYS 6 CO 0.11 0.36 0.17 -0.92 -2.00 0.00 0.00 179.45 177.17 1okd h TYR 7 N 0.00 0.31 -2.47 0.07 5.03 -1.43 -3.34 116.97 115.13 1okd h TYR 7 Ca -0.00 0.02 -0.59 0.00 2.58 0.00 0.00 58.73 60.73 1okd h TYR 7 Cb 0.91 -0.08 -0.39 0.00 1.55 0.00 0.00 36.73 38.72 1okd h TYR 7 CO 0.00 0.13 -0.91 1.28 -1.32 0.00 0.00 178.16 177.34 1okd n LEU 8 N -4.98 0.17 -4.69 2.82 4.77 -1.20 -5.00 117.00 108.89 1okd n LEU 8 Ca 0.03 -4.54 -0.53 0.00 -0.03 0.00 0.00 56.01 50.94 1okd n LEU 8 Cb 0.14 0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 1okd n LEU 8 CO 0.27 1.85 1.37 -2.65 -1.33 0.00 0.00 177.39 176.90 1okd n PRO 9 N 2.62 1.58 0.00 3.23 -0.02 -1.16 -3.31 135.00 137.94 1okd n PRO 9 Ca 0.28 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1okd n PRO 9 Cb 0.46 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 4.18 0.65 0.25 -1.23 0.00 -1.26 -5.02 105.19 102.76 1okd n GLY 10 Ca 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 1okd n GLY 10 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1okd h ILE 11 N 0.00 1.28 0.00 -0.61 1.08 -1.87 -3.46 117.51 113.92 1okd h ILE 11 Ca 0.00 -1.35 0.00 0.00 -0.39 0.00 0.00 64.86 63.12 1okd h ILE 11 Cb 0.00 1.27 0.00 0.00 -3.07 0.00 0.00 36.82 35.02 1okd h ILE 11 CO 0.00 0.45 0.00 -0.62 -0.69 0.00 0.00 178.15 177.29 1okd n GLU 12 N -4.21 0.00 -4.18 2.37 -0.58 -1.26 -4.63 120.64 108.15 1okd n GLU 12 Ca -0.01 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.62 1okd n GLU 12 Cb 0.44 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.21 1okd n GLU 12 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1okd s LYS 13 N 0.00 0.91 0.33 3.49 3.01 -1.26 -3.95 119.74 122.27 1okd s LYS 13 Ca 0.00 -1.40 0.07 0.00 -1.01 0.00 0.00 55.97 53.62 1okd s LYS 13 Cb 0.00 -0.07 -0.01 0.00 -1.01 0.00 0.00 37.83 36.73 1okd s LYS 13 CO 0.00 -0.12 0.44 -0.51 0.51 0.00 0.00 175.35 175.68 1okd s LEU 14 N -3.07 3.93 -0.53 3.17 1.43 -1.21 -4.57 118.68 117.82 1okd s LEU 14 Ca 0.17 -0.23 -0.16 0.00 -1.03 0.00 0.00 54.13 52.88 1okd s LEU 14 Cb 0.06 -2.68 0.11 0.00 0.03 0.00 0.00 46.19 43.72 1okd s LEU 14 CO -0.01 -0.41 0.51 -0.13 0.23 0.00 0.00 176.35 176.54 1okd s ARG 15 N -4.15 3.00 0.54 1.70 1.81 0.48 -3.73 118.95 118.60 1okd s ARG 15 Ca 0.44 -1.57 -0.02 0.00 -1.72 0.00 0.00 55.73 52.86 1okd s ARG 15 Cb -0.09 -4.26 0.11 0.00 -0.45 0.00 0.00 34.95 30.26 1okd s ARG 15 CO 0.30 -1.31 0.74 0.54 -0.68 0.00 0.00 175.30 174.90 1okd n ARG 16 N 5.42 -0.08 0.00 3.54 1.74 -0.48 -1.21 116.66 125.59 1okd n ARG 16 Ca -0.13 -1.80 0.00 0.00 -0.77 0.00 0.00 57.85 55.15 1okd n ARG 16 Cb 0.41 -0.56 0.00 0.00 -1.02 0.00 0.00 32.46 31.30 1okd n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1okd n GLY 17 N -0.47 0.17 0.50 -0.13 0.00 -1.12 -4.17 105.19 99.96 1okd n GLY 17 Ca 0.11 0.00 0.37 0.00 0.00 0.00 0.00 46.02 46.50 1okd n GLY 17 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1okd h ASP 18 N 0.00 0.21 0.00 1.61 3.04 -1.95 -3.44 116.42 115.88 1okd h ASP 18 Ca 0.00 0.09 0.00 0.00 -3.24 0.00 0.00 57.03 53.88 1okd h ASP 18 Cb 0.00 0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.36 1okd h ASP 18 CO 0.00 -0.09 0.00 0.61 -2.04 0.00 0.00 179.24 177.72 1okd n GLY 19 N -1.60 2.33 3.13 7.15 0.00 -1.26 -5.18 105.19 109.76 1okd n GLY 19 Ca 0.35 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.36 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 3.93 0.72 -0.05 1.61 2.02 -1.26 -1.38 118.70 124.29 1okd s GLU 20 Ca 0.00 -1.00 0.03 0.00 0.02 0.00 0.00 54.97 54.02 1okd s GLU 20 Cb 0.00 -0.44 0.01 0.00 0.10 0.00 0.00 34.13 33.80 1okd s GLU 20 CO 0.00 0.07 -0.12 0.14 0.02 0.00 0.00 175.26 175.37 1okd s VAL 21 N -2.04 1.11 0.72 2.63 -7.23 -1.24 -4.92 120.40 109.43 1okd s VAL 21 Ca -0.01 -0.50 -0.16 0.00 -1.81 0.00 0.00 61.98 59.50 1okd s VAL 21 Cb -0.05 -0.99 0.02 0.00 0.56 0.00 0.00 36.38 35.92 1okd s VAL 21 CO -0.00 0.34 1.19 -0.62 -0.31 0.00 0.00 175.10 175.69 1okd n GLU 22 N 3.51 0.66 0.12 4.82 1.02 -1.26 -3.34 120.64 126.17 1okd n GLU 22 Ca -0.20 0.29 0.18 0.00 -0.02 0.00 0.00 57.16 57.40 1okd n GLU 22 Cb 0.53 -2.43 0.74 0.00 -0.02 0.00 0.00 31.44 30.26 1okd n GLU 22 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1okd h VAL 23 N -0.14 0.62 -0.62 2.62 2.07 -1.96 -0.90 116.25 117.94 1okd h VAL 23 Ca -0.49 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.22 1okd h VAL 23 Cb 1.33 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1okd h VAL 23 CO 0.49 0.00 0.54 0.11 0.02 0.00 0.00 177.57 178.74 1okd h LYS 24 N 0.00 0.00 0.00 1.57 6.56 -1.92 0.25 116.57 123.04 1okd h LYS 24 Ca 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 1okd h LYS 24 Cb 0.70 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.36 1okd h LYS 24 CO -0.00 0.00 0.00 1.03 -2.06 0.00 0.00 179.45 178.42 1okd h SER 25 N 0.00 0.00 -1.59 0.86 0.87 -1.50 -2.06 113.55 110.13 1okd h SER 25 Ca 0.30 0.00 -0.68 0.00 -1.23 0.00 0.00 61.79 60.18 1okd h SER 25 Cb 1.38 0.00 -0.34 0.00 -0.44 0.00 0.00 62.40 63.00 1okd h SER 25 CO -0.00 0.00 0.26 0.18 -0.53 0.00 0.00 176.83 176.74 1okd n LEU 26 N -2.74 6.37 -4.23 2.23 4.77 0.89 -4.90 117.00 119.38 1okd n LEU 26 Ca -0.02 -4.89 -0.42 0.00 -0.03 0.00 0.00 56.01 50.65 1okd n LEU 26 Cb 0.07 -0.78 -0.05 0.00 -2.33 0.00 0.00 43.42 40.33 1okd n LEU 26 CO 0.16 1.92 0.35 0.00 -1.33 0.00 0.00 177.39 178.49 1okd s ALA 27 N -3.82 4.04 0.00 -1.18 0.00 -0.78 -4.34 121.76 115.68 1okd s ALA 27 Ca 0.52 -3.44 0.00 0.00 0.00 0.00 0.00 51.96 49.04 1okd s ALA 27 Cb 0.43 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 20.36 1okd s ALA 27 CO -0.24 -2.21 0.00 0.41 0.00 0.00 0.00 175.76 173.72 1okd n GLY 28 N 3.46 0.55 3.43 0.00 0.00 -1.26 -4.99 105.19 106.38 1okd n GLY 28 Ca 0.14 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 0.33 1.33 -0.70 1.61 -2.85 -1.26 -4.96 119.74 113.24 1okd s LYS 29 Ca 0.00 -1.24 -0.18 0.00 -1.00 0.00 0.00 55.97 53.56 1okd s LYS 29 Cb 0.00 0.41 0.14 0.00 -2.06 0.00 0.00 37.83 36.32 1okd s LYS 29 CO 0.00 -0.52 0.77 -1.17 0.10 0.00 0.00 175.35 174.54 1okd s LEU 30 N -3.00 5.71 -0.20 2.77 2.96 -1.26 -2.39 118.68 123.26 1okd s LEU 30 Ca 0.21 -1.85 -0.24 0.00 -0.22 0.00 0.00 54.13 52.04 1okd s LEU 30 Cb 0.02 -2.29 -0.01 0.00 0.50 0.00 0.00 46.19 44.40 1okd s LEU 30 CO 0.05 -0.97 0.78 -0.69 -1.32 0.00 0.00 176.35 174.20 1okd s VAL 31 N 2.04 4.90 0.48 1.68 1.01 -0.32 -2.98 120.40 127.21 1okd s VAL 31 Ca 0.16 1.51 -0.07 0.00 0.00 0.00 0.00 61.98 63.57 1okd s VAL 31 Cb -0.18 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1okd s VAL 31 CO -0.00 0.02 0.82 -0.36 0.00 0.00 0.00 175.10 175.58 1okd s PHE 32 N 2.30 3.55 -0.24 5.22 0.08 0.25 -1.62 117.98 127.53 1okd s PHE 32 Ca 0.35 0.95 -0.03 0.00 0.12 0.00 0.00 56.93 58.31 1okd s PHE 32 Cb -0.16 -2.40 0.08 0.00 -0.57 0.00 0.00 43.02 39.97 1okd s PHE 32 CO 0.10 -0.30 0.08 -0.06 -0.10 0.00 0.00 175.22 174.94 1okd s PHE 33 N -2.72 0.86 -0.28 0.36 0.40 2.84 -1.09 117.98 118.36 1okd s PHE 33 Ca 0.50 -0.96 -0.14 0.00 -0.60 0.00 0.00 56.93 55.73 1okd s PHE 33 Cb -0.10 -1.08 -0.04 0.00 0.51 0.00 0.00 43.02 42.30 1okd s PHE 33 CO 0.43 -0.70 0.34 -0.47 0.70 0.00 0.00 175.22 175.51 1okd s TYR 34 N 1.91 3.24 -0.22 0.36 5.04 4.14 -1.50 117.35 130.32 1okd s TYR 34 Ca 0.04 0.32 -0.12 0.00 -2.44 0.00 0.00 57.07 54.88 1okd s TYR 34 Cb -0.17 -2.54 -0.05 0.00 0.35 0.00 0.00 41.96 39.56 1okd s TYR 34 CO -0.19 -0.23 0.20 -0.06 -1.34 0.00 0.00 175.55 173.94 1okd s PHE 35 N 2.00 3.36 -0.09 4.97 0.40 -0.77 0.10 117.98 127.95 1okd s PHE 35 Ca 0.13 0.34 -0.32 0.00 -0.60 0.00 0.00 56.93 56.48 1okd s PHE 35 Cb -0.16 -2.29 0.13 0.00 0.51 0.00 0.00 43.02 41.20 1okd s PHE 35 CO 0.10 0.12 1.21 0.45 0.70 0.00 0.00 175.22 177.80 1okd s SER 36 N 0.85 -0.12 -0.04 1.36 0.15 -0.21 -1.73 113.70 113.95 1okd s SER 36 Ca 0.10 -0.07 0.03 0.00 0.70 0.00 0.00 55.95 56.71 1okd s SER 36 Cb -0.13 0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.37 1okd s SER 36 CO 0.04 -0.32 -0.12 0.00 1.20 0.00 0.00 173.24 174.03 1okd s ALA 37 N -2.51 1.18 0.58 5.45 0.00 -1.26 0.12 121.76 125.33 1okd s ALA 37 Ca 0.11 -0.45 0.30 0.00 0.00 0.00 0.00 51.96 51.92 1okd s ALA 37 Cb 0.01 -0.46 1.40 0.00 0.00 0.00 0.00 23.12 24.07 1okd s ALA 37 CO -0.04 0.17 1.77 1.03 0.00 0.00 0.00 175.76 178.69 1okd h SER 38 N 6.57 0.00 -0.66 0.00 0.87 -1.91 0.79 113.55 119.21 1okd h SER 38 Ca -0.32 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.10 1okd h SER 38 Cb 1.18 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.06 1okd h SER 38 CO 0.48 0.00 0.16 -2.67 -0.53 0.00 0.00 176.83 174.27 1okd n TRP 39 N -3.72 2.25 -1.74 2.24 4.27 -1.26 -4.98 117.44 114.49 1okd n TRP 39 Ca 0.14 -1.04 -0.30 0.00 -3.89 0.00 0.00 57.50 52.41 1okd n TRP 39 Cb 0.94 -0.61 0.05 0.00 -1.36 0.00 0.00 31.31 30.33 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 -0.74 -0.76 0.00 0.00 0.11 -1.94 -3.40 132.00 125.28 1okd h PRO 41 Ca -0.45 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1okd h PRO 41 Cb 1.24 0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.52 1okd h PRO 41 CO 0.61 -0.46 0.00 -2.30 -0.21 0.00 0.00 178.00 175.64 1okd n PRO 42 N -5.32 0.00 -2.26 1.05 -0.02 -1.26 -4.96 135.00 122.23 1okd n PRO 42 Ca -0.11 0.21 -0.07 0.00 -2.02 0.00 0.00 63.50 61.51 1okd n PRO 42 Cb 0.34 -1.03 0.01 0.00 -0.02 0.00 0.00 33.50 32.80 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 0.65 0.00 -2.28 0.00 0.63 -1.26 -5.06 116.66 109.34 1okd n ARG 44 Ca -0.02 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.72 1okd n ARG 44 Cb 0.34 0.00 0.10 0.00 0.45 0.00 0.00 32.46 33.35 1okd n ARG 44 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1okd n GLY 45 N -1.27 0.65 5.00 5.14 0.00 -1.26 -4.50 105.19 108.95 1okd n GLY 45 Ca 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.65 0.00 -0.26 1.61 7.35 -1.26 -4.48 117.46 117.77 1okd n PHE 46 Ca 0.14 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.83 1okd n PHE 46 Cb 0.50 0.00 0.06 0.00 0.35 0.00 0.00 39.48 40.40 1okd n PHE 46 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1okd h THR 47 N 0.00 0.19 0.00 -2.13 2.02 -2.01 0.58 112.91 111.56 1okd h THR 47 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1okd h THR 47 Cb 0.00 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1okd h THR 47 CO 0.00 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.08 1okd n PRO 48 N -5.48 0.22 0.07 6.66 -0.04 -1.26 -3.23 135.00 131.94 1okd n PRO 48 Ca 0.09 0.08 -0.21 0.00 -0.04 0.00 0.00 63.50 63.42 1okd n PRO 48 Cb 0.38 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.22 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 -0.42 0.54 7.50 -0.17 -3.22 115.11 119.90 1okd h GLN 49 Ca 0.00 -0.73 0.08 0.00 0.50 0.00 0.00 58.65 58.50 1okd h GLN 49 Cb 0.28 0.24 -0.07 0.00 0.05 0.00 0.00 27.48 27.98 1okd h GLN 49 CO 0.00 1.32 0.02 1.25 -1.50 0.00 0.00 178.83 179.92 1okd h LEU 50 N 0.16 -0.13 -0.81 1.46 7.12 -1.46 -0.02 115.31 121.63 1okd h LEU 50 Ca -0.16 0.09 0.08 0.00 0.13 0.00 0.00 57.88 58.03 1okd h LEU 50 Cb 1.76 0.16 -0.07 0.00 -0.53 0.00 0.00 40.66 41.98 1okd h LEU 50 CO 0.21 -0.03 0.47 0.40 -0.13 0.00 0.00 178.44 179.36 1okd h ILE 51 N 0.13 0.95 0.06 4.05 1.08 -1.70 1.14 117.51 123.22 1okd h ILE 51 Ca 0.21 -0.28 -0.00 0.00 -0.39 0.00 0.00 64.86 64.40 1okd h ILE 51 Cb 0.29 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 1okd h ILE 51 CO -0.33 0.15 -0.03 -0.08 -0.69 0.00 0.00 178.15 177.17 1okd h GLU 52 N 0.82 -0.08 0.00 2.37 4.81 -1.33 1.08 114.58 122.25 1okd h GLU 52 Ca 0.38 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.55 1okd h GLU 52 Cb 0.30 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1okd h GLU 52 CO -0.22 0.32 -0.30 0.35 -0.73 0.00 0.00 179.01 178.42 1okd h PHE 53 N -0.50 0.00 0.00 0.92 3.57 -0.74 -2.28 116.94 117.91 1okd h PHE 53 Ca -0.01 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 1okd h PHE 53 Cb 0.44 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1okd h PHE 53 CO 0.06 0.30 -0.59 -0.92 -2.23 0.00 0.00 178.31 174.94 1okd h TYR 54 N 0.00 0.00 -0.17 0.41 3.20 0.14 -3.06 116.97 117.49 1okd h TYR 54 Ca -0.00 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.92 1okd h TYR 54 Cb 0.62 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 1okd h TYR 54 CO 0.00 0.78 0.16 0.22 -1.64 0.00 0.00 178.16 177.69 1okd h ASP 55 N -1.00 0.00 0.36 -2.11 3.58 0.12 2.02 116.42 119.39 1okd h ASP 55 Ca -0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.32 1okd h ASP 55 Cb 0.83 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.88 1okd h ASP 55 CO -0.08 0.00 -0.88 0.29 -2.88 0.00 0.00 179.24 175.69 1okd n LYS 56 N -4.01 0.15 0.00 0.28 5.02 -0.86 -4.39 118.16 114.36 1okd n LYS 56 Ca 0.01 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1okd n LYS 56 Cb 0.29 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1okd n LYS 56 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1okd n PHE 57 N -1.74 0.00 -0.21 2.13 7.35 -0.44 -4.82 117.46 119.73 1okd n PHE 57 Ca 0.03 -0.06 0.27 0.00 -0.76 0.00 0.00 57.45 56.94 1okd n PHE 57 Cb 0.39 -0.01 0.68 0.00 0.35 0.00 0.00 39.48 40.89 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 0.13 0.09 -5.13 2.07 0.30 0.63 115.15 113.24 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 0.47 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 30.41 1okd h HIS 58 CO 0.00 0.03 -0.04 1.05 -3.07 0.00 0.00 177.93 175.89 1okd h GLU 59 N 0.09 -0.12 0.18 5.12 4.11 -1.88 1.23 114.58 123.32 1okd h GLU 59 Ca 0.45 0.01 -0.31 0.00 0.07 0.00 0.00 59.36 59.58 1okd h GLU 59 Cb 1.64 0.03 0.02 0.00 0.50 0.00 0.00 28.75 30.94 1okd h GLU 59 CO -0.05 0.15 -1.41 1.03 0.07 0.00 0.00 179.01 178.80 1okd h SER 60 N -0.38 0.60 0.31 3.06 0.87 -1.66 -3.34 113.55 113.00 1okd h SER 60 Ca -0.01 -0.68 -0.30 0.00 -1.23 0.00 0.00 61.79 59.56 1okd h SER 60 Cb 0.32 -0.20 0.03 0.00 -0.44 0.00 0.00 62.40 62.11 1okd h SER 60 CO 0.02 1.54 -1.32 0.11 -0.53 0.00 0.00 176.83 176.65 1okd h LYS 61 N 0.10 0.50 -6.33 2.24 1.79 0.16 -3.49 116.57 111.56 1okd h LYS 61 Ca -0.21 -0.77 -0.33 0.00 -2.18 0.00 0.00 60.65 57.16 1okd h LYS 61 Cb 2.07 0.27 0.01 0.00 -1.58 0.00 0.00 32.23 33.00 1okd h LYS 61 CO 0.23 1.35 -0.93 -1.71 -1.08 0.00 0.00 179.45 177.31 1okd n ASN 62 N -3.70 -5.84 -4.12 0.86 2.85 0.42 -4.89 115.26 100.84 1okd n ASN 62 Ca -0.13 -0.37 -0.12 0.00 -0.11 0.00 0.00 54.58 53.84 1okd n ASN 62 Cb 1.03 -2.57 -0.09 0.00 1.24 0.00 0.00 39.78 39.38 1okd n ASN 62 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 1okd s PHE 63 N -2.39 1.12 -0.07 1.20 -0.71 -1.26 -4.30 117.98 111.58 1okd s PHE 63 Ca 0.17 -1.34 0.01 0.00 -1.04 0.00 0.00 56.93 54.73 1okd s PHE 63 Cb -0.02 -0.50 0.02 0.00 -1.21 0.00 0.00 43.02 41.31 1okd s PHE 63 CO 0.86 -0.69 -0.07 -2.00 -1.34 0.00 0.00 175.22 171.97 1okd s GLU 64 N -4.10 1.26 -0.35 1.99 2.56 -1.16 -5.01 118.70 113.90 1okd s GLU 64 Ca 0.38 -0.22 -0.13 0.00 0.00 0.00 0.00 54.97 55.00 1okd s GLU 64 Cb 0.06 -1.21 -0.01 0.00 2.00 0.00 0.00 34.13 34.97 1okd s GLU 64 CO 0.13 -0.11 0.24 0.08 -0.56 0.00 0.00 175.26 175.04 1okd s VAL 65 N 1.10 5.15 0.18 3.70 1.01 -1.26 0.86 120.40 131.13 1okd s VAL 65 Ca -0.07 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 1okd s VAL 65 Cb -0.14 -3.69 -0.07 0.00 0.00 0.00 0.00 36.38 32.48 1okd s VAL 65 CO -0.01 -0.06 0.53 -0.69 0.00 0.00 0.00 175.10 174.87 1okd s VAL 66 N 1.69 4.92 -0.63 2.92 1.01 -0.25 -3.34 120.40 126.71 1okd s VAL 66 Ca 0.05 0.61 -0.16 0.00 0.00 0.00 0.00 61.98 62.49 1okd s VAL 66 Cb -0.18 -3.67 0.15 0.00 0.00 0.00 0.00 36.38 32.69 1okd s VAL 66 CO 0.10 0.10 0.60 0.12 0.00 0.00 0.00 175.10 176.02 1okd s PHE 67 N -1.62 3.38 -0.62 5.22 2.19 0.53 -1.96 117.98 125.10 1okd s PHE 67 Ca 0.42 -1.48 -0.26 0.00 0.33 0.00 0.00 56.93 55.94 1okd s PHE 67 Cb -0.13 -3.83 0.04 0.00 -1.31 0.00 0.00 43.02 37.79 1okd s PHE 67 CO 0.20 -1.04 1.09 0.00 1.83 0.00 0.00 175.22 177.30 1okd s THR 69 N 4.64 4.15 -0.05 0.00 -1.32 -1.25 -1.05 115.64 120.76 1okd s THR 69 Ca 0.33 0.87 0.24 0.00 -1.21 0.00 0.00 61.69 61.91 1okd s THR 69 Cb -0.11 -3.52 0.43 0.00 -1.51 0.00 0.00 72.50 67.79 1okd s THR 69 CO 0.18 -0.75 1.17 0.79 -2.21 0.00 0.00 174.62 173.81 1okd n TRP 70 N -2.40 0.09 -2.98 9.09 7.02 0.33 -4.68 117.44 123.92 1okd n TRP 70 Ca 0.08 -0.74 -0.23 0.00 -1.02 0.00 0.00 57.50 55.58 1okd n TRP 70 Cb 0.53 -0.17 0.01 0.00 -2.42 0.00 0.00 31.31 29.27 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 -2.28 5.83 -0.17 -0.99 1.11 -1.26 -4.62 116.67 114.28 1okd s ASP 71 Ca 0.34 0.28 0.16 0.00 0.18 0.00 0.00 52.55 53.51 1okd s ASP 71 Cb 0.38 -1.52 -0.22 0.00 1.07 0.00 0.00 42.92 42.63 1okd s ASP 71 CO -0.15 -0.71 0.06 1.21 1.18 0.00 0.00 175.17 176.77 1okd n GLU 72 N -2.08 1.13 -3.28 8.23 4.07 -1.26 -4.95 120.64 122.50 1okd n GLU 72 Ca 0.01 -0.01 -0.39 0.00 -0.06 0.00 0.00 57.16 56.72 1okd n GLU 72 Cb 0.58 -1.45 -0.06 0.00 -0.06 0.00 0.00 31.44 30.45 1okd n GLU 72 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1okd s GLU 73 N -2.42 4.22 0.35 5.31 2.12 -1.26 -4.97 118.70 122.05 1okd s GLU 73 Ca -0.09 0.67 0.18 0.00 0.36 0.00 0.00 54.97 56.09 1okd s GLU 73 Cb 0.05 -3.29 0.57 0.00 0.26 0.00 0.00 34.13 31.72 1okd s GLU 73 CO 0.72 0.50 1.68 0.93 -0.54 0.00 0.00 175.26 178.55 1okd h GLU 74 N 5.17 0.00 0.01 4.30 4.39 -1.98 -3.21 114.58 123.26 1okd h GLU 74 Ca -0.47 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.00 1okd h GLU 74 Cb 1.21 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.88 1okd h GLU 74 CO 0.67 0.42 -0.91 0.22 -1.16 0.00 0.00 179.01 178.25 1okd h ASP 75 N 0.00 0.78 0.31 1.42 3.58 -1.99 -3.08 116.42 117.44 1okd h ASP 75 Ca -0.00 -0.76 0.00 0.00 0.42 0.00 0.00 57.03 56.69 1okd h ASP 75 Cb 0.98 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 1okd h ASP 75 CO 0.05 1.43 -0.34 1.23 -2.88 0.00 0.00 179.24 178.74 1okd h GLY 76 N 0.20 -0.77 2.00 -0.78 0.00 -1.98 0.34 103.07 102.10 1okd h GLY 76 Ca -0.12 0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 1okd h GLY 76 CO 0.18 -0.28 -0.02 -2.75 0.00 0.00 0.00 176.54 173.67 1okd h PHE 77 N -0.69 0.00 0.04 5.60 3.57 -1.69 -2.04 116.94 121.74 1okd h PHE 77 Ca -0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1okd h PHE 77 Cb 0.63 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.37 1okd h PHE 77 CO -0.21 0.02 -0.02 0.00 -2.23 0.00 0.00 178.31 175.87 1okd h ALA 78 N 1.98 -0.06 0.00 2.41 0.00 -1.24 -2.55 119.26 119.80 1okd h ALA 78 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1okd h ALA 78 Cb 0.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1okd h ALA 78 CO 0.00 -0.09 0.04 0.41 0.00 0.00 0.00 179.25 179.62 1okd n GLY 79 N 1.32 -0.80 0.22 0.00 0.00 0.11 0.34 105.19 106.39 1okd n GLY 79 Ca -0.07 0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.23 1okd n GLY 79 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1okd n TYR 80 N -2.17 0.00 -0.08 1.61 4.02 -0.78 -4.38 117.16 115.38 1okd n TYR 80 Ca -0.01 0.00 0.26 0.00 -0.01 0.00 0.00 57.90 58.14 1okd n TYR 80 Cb 0.07 -0.02 0.68 0.00 -0.02 0.00 0.00 39.34 40.05 1okd n TYR 80 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 1okd h PHE 81 N 1.08 0.00 -0.87 -0.72 3.57 0.32 0.82 116.94 121.14 1okd h PHE 81 Ca 0.00 0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.75 1okd h PHE 81 Cb 0.61 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 1okd h PHE 81 CO 0.00 0.00 0.66 0.00 -2.23 0.00 0.00 178.31 176.74 1okd h ALA 82 N 1.25 2.80 -3.00 2.41 0.00 -1.76 -3.41 119.26 117.55 1okd h ALA 82 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1okd h ALA 82 Cb 1.80 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1okd h ALA 82 CO -0.00 -1.11 0.00 0.36 0.00 0.00 0.00 179.25 178.50 1okd n LYS 83 N -4.17 -1.11 -1.44 0.00 2.85 0.28 -4.67 118.16 109.90 1okd n LYS 83 Ca 0.18 0.00 -0.47 0.00 -1.05 0.00 0.00 58.31 56.97 1okd n LYS 83 Cb 0.97 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 35.24 1okd n LYS 83 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1okd n MET 84 N -1.43 0.38 0.05 -1.58 2.81 -1.26 -4.79 117.12 111.31 1okd n MET 84 Ca 0.00 0.06 0.12 0.00 -1.81 0.00 0.00 57.70 56.07 1okd n MET 84 Cb 0.00 -1.99 0.28 0.00 -0.71 0.00 0.00 33.22 30.80 1okd n MET 84 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1okd n PRO 85 N 8.27 0.21 0.00 0.03 -0.04 -1.26 -4.69 135.00 137.53 1okd n PRO 85 Ca 0.54 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 1okd n PRO 85 Cb 0.13 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 1okd n PRO 85 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1okd n TRP 86 N -1.98 0.00 -3.80 0.54 2.14 -1.26 -2.79 117.44 110.28 1okd n TRP 86 Ca 0.04 0.00 -0.14 0.00 2.07 0.00 0.00 57.50 59.47 1okd n TRP 86 Cb 0.41 0.00 -0.15 0.00 -0.81 0.00 0.00 31.31 30.76 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 -0.88 1.32 -0.21 5.67 1.43 -1.21 -3.86 118.68 120.93 1okd s LEU 87 Ca 0.00 0.03 -0.10 0.00 -1.03 0.00 0.00 54.13 53.03 1okd s LEU 87 Cb 0.00 -0.05 0.07 0.00 0.03 0.00 0.00 46.19 46.25 1okd s LEU 87 CO 0.00 -0.10 0.49 0.00 0.23 0.00 0.00 176.35 176.98 1okd s ALA 88 N 0.79 -1.32 0.24 4.21 0.00 -0.35 0.20 121.76 125.53 1okd s ALA 88 Ca -0.07 1.78 -0.31 0.00 0.00 0.00 0.00 51.96 53.37 1okd s ALA 88 Cb -0.09 -1.16 -0.11 0.00 0.00 0.00 0.00 23.12 21.76 1okd s ALA 88 CO -0.02 -0.41 1.58 0.08 0.00 0.00 0.00 175.76 176.98 1okd s VAL 89 N 1.74 2.31 0.26 0.00 1.01 -1.26 0.18 120.40 124.64 1okd s VAL 89 Ca -0.08 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 1okd s VAL 89 Cb -0.08 -3.16 -0.14 0.00 0.00 0.00 0.00 36.38 33.00 1okd s VAL 89 CO -0.15 0.03 1.17 -0.81 0.00 0.00 0.00 175.10 175.34 1okd n PRO 90 N 2.88 1.56 -0.32 2.72 -0.04 -1.26 -4.75 135.00 135.79 1okd n PRO 90 Ca 0.10 0.55 0.35 0.00 -0.04 0.00 0.00 63.50 64.47 1okd n PRO 90 Cb 0.38 -2.04 0.75 0.00 -0.04 0.00 0.00 33.50 32.54 1okd n PRO 90 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1okd h PHE 91 N 2.87 0.00 -0.85 0.54 -0.00 -1.97 0.38 116.94 117.90 1okd h PHE 91 Ca -0.42 0.00 0.11 0.00 -0.00 0.00 0.00 57.97 57.66 1okd h PHE 91 Cb 1.32 0.00 -0.06 0.00 -0.00 0.00 0.00 35.95 37.21 1okd h PHE 91 CO 0.51 0.00 0.55 0.00 -0.00 0.00 0.00 178.31 179.38 1okd h ALA 92 N 1.35 1.76 -0.44 12.09 0.00 -2.01 -1.29 119.26 130.72 1okd h ALA 92 Ca 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.38 1okd h ALA 92 Cb 2.32 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 19.89 1okd h ALA 92 CO -0.01 0.05 0.07 1.04 0.00 0.00 0.00 179.25 180.40 1okd n GLN 93 N -4.53 3.06 0.28 0.00 1.13 0.13 -4.57 117.38 112.87 1okd n GLN 93 Ca 0.15 -3.00 0.12 0.00 -1.94 0.00 0.00 57.00 52.33 1okd n GLN 93 Cb 0.37 -1.98 0.79 0.00 0.11 0.00 0.00 30.24 29.53 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 2.02 0.00 -0.69 1.08 4.64 -1.05 -1.17 113.55 118.36 1okd h SER 94 Ca 0.12 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.61 1okd h SER 94 Cb 1.78 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.84 1okd h SER 94 CO 0.43 0.03 0.48 -0.08 -0.87 0.00 0.00 176.83 176.81 1okd h GLU 95 N 0.00 0.22 -0.23 4.77 4.81 -1.80 0.38 114.58 122.72 1okd h GLU 95 Ca -0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1okd h GLU 95 Cb 0.06 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1okd h GLU 95 CO 0.00 0.14 0.10 0.00 -0.73 0.00 0.00 179.01 178.52 1okd h ALA 96 N 1.67 1.73 -0.06 2.92 0.00 -1.58 -1.12 119.26 122.82 1okd h ALA 96 Ca 0.34 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 1okd h ALA 96 Cb 1.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1okd h ALA 96 CO -0.07 0.22 -0.41 0.28 0.00 0.00 0.00 179.25 179.27 1okd h VAL 97 N 0.32 1.30 0.07 0.00 2.07 -0.37 1.26 116.25 120.90 1okd h VAL 97 Ca 0.08 -1.47 -0.28 0.00 0.82 0.00 0.00 66.70 65.86 1okd h VAL 97 Cb 0.07 1.71 0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1okd h VAL 97 CO -0.01 0.43 -1.14 1.56 0.02 0.00 0.00 177.57 178.43 1okd h GLN 98 N 0.11 0.60 0.18 1.57 4.20 -1.14 -2.49 115.11 118.14 1okd h GLN 98 Ca 0.01 -0.73 -0.26 0.00 0.06 0.00 0.00 58.65 57.72 1okd h GLN 98 Cb 0.77 0.23 0.02 0.00 0.30 0.00 0.00 27.48 28.81 1okd h GLN 98 CO 0.06 1.31 -1.20 0.87 -0.67 0.00 0.00 178.83 179.21 1okd h LYS 99 N 0.30 0.39 0.00 1.46 1.79 -1.11 -3.29 116.57 116.10 1okd h LYS 99 Ca -0.15 -0.67 -0.02 0.00 -2.18 0.00 0.00 60.65 57.63 1okd h LYS 99 Cb 1.80 0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 32.70 1okd h LYS 99 CO 0.22 1.32 -0.11 1.25 -1.08 0.00 0.00 179.45 181.04 1okd h LEU 100 N -0.14 0.00 -0.07 2.94 5.85 0.15 -2.72 115.31 121.31 1okd h LEU 100 Ca -0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1okd h LEU 100 Cb 1.88 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.91 1okd h LEU 100 CO 0.19 0.11 0.03 0.28 -0.34 0.00 0.00 178.44 178.71 1okd h SER 101 N 0.00 0.04 -0.66 1.25 0.02 -1.51 0.28 113.55 112.97 1okd h SER 101 Ca -0.00 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.05 1okd h SER 101 Cb 0.23 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.72 1okd h SER 101 CO 0.01 0.03 0.44 0.50 -1.14 0.00 0.00 176.83 176.68 1okd h LYS 102 N 0.07 0.50 0.00 3.45 3.64 -1.59 0.97 116.57 123.60 1okd h LYS 102 Ca 0.03 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1okd h LYS 102 Cb 0.01 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1okd h LYS 102 CO -0.02 0.33 -0.53 0.45 -2.27 0.00 0.00 179.45 177.41 1okd h HIS 103 N 0.52 0.00 -0.39 1.91 3.86 -1.39 -3.11 115.15 116.54 1okd h HIS 103 Ca 0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 1okd h HIS 103 Cb 0.51 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1okd h HIS 103 CO -0.00 0.53 0.00 1.19 0.86 0.00 0.00 177.93 180.51 1okd n PHE 104 N -3.32 1.09 -2.26 2.45 3.72 0.18 -4.89 117.46 114.43 1okd n PHE 104 Ca 0.01 -0.41 -0.15 0.00 -0.05 0.00 0.00 57.45 56.85 1okd n PHE 104 Cb 0.70 -0.25 -0.02 0.00 -0.94 0.00 0.00 39.48 38.98 1okd n PHE 104 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1okd n ASN 105 N 0.53 -4.49 -4.55 4.37 2.85 -0.85 -4.85 115.26 108.28 1okd n ASN 105 Ca 0.17 0.17 -0.37 0.00 -0.11 0.00 0.00 54.58 54.43 1okd n ASN 105 Cb 0.70 -3.83 -0.03 0.00 1.24 0.00 0.00 39.78 37.86 1okd n ASN 105 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1okd s VAL 106 N -2.68 3.29 0.02 3.44 1.01 -0.32 -4.83 120.40 120.34 1okd s VAL 106 Ca 0.00 0.14 -0.21 0.00 0.00 0.00 0.00 61.98 61.91 1okd s VAL 106 Cb 0.00 -3.77 -0.16 0.00 0.00 0.00 0.00 36.38 32.45 1okd s VAL 106 CO 0.00 -0.74 1.31 1.05 0.00 0.00 0.00 175.10 176.71 1okd h GLU 107 N 15.64 0.29 -2.70 2.72 4.11 -1.88 -3.44 114.58 129.32 1okd h GLU 107 Ca -0.24 -0.17 0.07 0.00 0.07 0.00 0.00 59.36 59.09 1okd h GLU 107 Cb 1.17 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.33 1okd h GLU 107 CO 1.21 0.72 0.34 -1.12 0.07 0.00 0.00 179.01 180.23 1okd s SER 108 N -6.09 -0.37 0.19 3.06 0.01 -1.26 -5.18 113.70 104.05 1okd s SER 108 Ca -0.14 -0.22 0.06 0.00 1.31 0.00 0.00 55.95 56.95 1okd s SER 108 Cb 0.04 0.56 -0.04 0.00 0.21 0.00 0.00 66.02 66.79 1okd s SER 108 CO 0.74 -0.96 0.16 0.27 0.41 0.00 0.00 173.24 173.86 1okd s ILE 109 N -3.55 4.50 0.42 1.44 -5.25 -1.26 -4.08 121.20 113.42 1okd s ILE 109 Ca 0.06 -1.16 -0.23 0.00 -0.99 0.00 0.00 60.65 58.34 1okd s ILE 109 Cb -0.02 -3.33 -0.09 0.00 2.95 0.00 0.00 42.46 41.96 1okd s ILE 109 CO -0.05 -0.18 1.04 -2.16 -1.79 0.00 0.00 174.94 171.81 1okd s PRO 110 N -3.31 4.06 0.19 0.37 0.04 -1.26 -5.00 135.00 130.10 1okd s PRO 110 Ca 0.32 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1okd s PRO 110 Cb -0.09 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 1okd s PRO 110 CO 0.24 -0.22 0.07 -0.08 0.04 0.00 0.00 177.00 177.05 1okd s THR 111 N -1.77 0.35 -0.12 1.26 -1.32 -0.70 -4.99 115.64 108.35 1okd s THR 111 Ca 0.61 -1.97 -0.05 0.00 -1.21 0.00 0.00 61.69 59.06 1okd s THR 111 Cb -0.20 -2.33 0.06 0.00 -1.51 0.00 0.00 72.50 68.52 1okd s THR 111 CO 0.25 -0.23 0.27 -0.22 -2.21 0.00 0.00 174.62 172.47 1okd s LEU 112 N -3.18 0.02 -0.02 9.08 1.98 -1.26 -1.86 118.68 123.45 1okd s LEU 112 Ca 0.31 0.59 0.01 0.00 -2.89 0.00 0.00 54.13 52.15 1okd s LEU 112 Cb 0.07 0.76 0.01 0.00 0.66 0.00 0.00 46.19 47.69 1okd s LEU 112 CO 0.08 -0.20 -0.04 -0.63 -1.89 0.00 0.00 176.35 173.67 1okd s ILE 113 N 1.85 0.38 -0.09 6.68 1.01 -0.56 -1.63 121.20 128.84 1okd s ILE 113 Ca -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.47 1okd s ILE 113 Cb -0.11 -0.38 -0.03 0.00 0.01 0.00 0.00 42.46 41.95 1okd s ILE 113 CO -0.09 0.15 -0.04 -0.83 0.00 0.00 0.00 174.94 174.13 1okd s GLY 114 N 0.37 1.75 0.17 6.18 0.00 -0.87 0.11 107.32 115.04 1okd s GLY 114 Ca -0.04 -0.85 0.03 0.00 0.00 0.00 0.00 44.72 43.86 1okd s GLY 114 CO -0.00 -0.54 -0.03 -1.34 0.00 0.00 0.00 173.10 171.18 1okd s VAL 115 N -0.65 0.89 -0.36 1.40 -7.23 -0.64 -1.94 120.40 111.87 1okd s VAL 115 Ca 0.10 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.16 1okd s VAL 115 Cb -0.12 -2.06 0.03 0.00 0.56 0.00 0.00 36.38 34.79 1okd s VAL 115 CO 0.02 -0.55 0.18 1.51 -0.31 0.00 0.00 175.10 175.95 1okd s ASP 116 N -3.19 5.64 0.41 4.85 1.47 -1.23 -1.17 116.67 123.45 1okd s ASP 116 Ca 0.22 -1.00 0.12 0.00 1.18 0.00 0.00 52.55 53.07 1okd s ASP 116 Cb 0.05 -1.99 0.95 0.00 -0.34 0.00 0.00 42.92 41.59 1okd s ASP 116 CO 0.03 -0.36 1.96 0.00 0.68 0.00 0.00 175.17 177.47 1okd h ALA 117 N 8.39 1.95 0.40 2.11 0.00 -1.74 0.87 119.26 131.23 1okd h ALA 117 Ca -0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1okd h ALA 117 Cb 1.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1okd h ALA 117 CO 0.65 -0.10 -0.19 0.22 0.00 0.00 0.00 179.25 179.84 1okd h ASP 118 N 0.51 -0.45 -0.65 0.00 1.82 -1.83 0.85 116.42 116.66 1okd h ASP 118 Ca 0.31 0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 56.92 1okd h ASP 118 Cb 0.54 0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.64 1okd h ASP 118 CO -0.10 -0.17 0.22 0.28 -1.61 0.00 0.00 179.24 177.86 1okd h SER 119 N -0.84 0.95 0.00 2.28 0.02 -1.89 -3.43 113.55 110.64 1okd h SER 119 Ca -0.05 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1okd h SER 119 Cb 0.41 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1okd h SER 119 CO 0.09 0.88 0.00 0.61 -1.14 0.00 0.00 176.83 177.27 1okd n GLY 120 N -0.86 2.70 3.71 -3.77 0.00 0.30 -4.98 105.19 102.29 1okd n GLY 120 Ca 0.06 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 1okd n GLY 120 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1okd s ASP 121 N 0.00 3.57 0.56 1.61 -1.08 -1.26 -4.65 116.67 115.41 1okd s ASP 121 Ca 0.00 2.06 -0.20 0.00 -0.52 0.00 0.00 52.55 53.90 1okd s ASP 121 Cb 0.00 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.86 1okd s ASP 121 CO 0.00 -2.67 1.18 -0.69 0.52 0.00 0.00 175.17 173.51 1okd s VAL 122 N -2.72 2.87 -0.22 1.11 1.01 -1.26 -3.49 120.40 117.71 1okd s VAL 122 Ca 0.65 0.56 0.01 0.00 0.00 0.00 0.00 61.98 63.19 1okd s VAL 122 Cb -0.21 -3.23 -0.14 0.00 0.00 0.00 0.00 36.38 32.80 1okd s VAL 122 CO 0.57 -0.10 -0.20 0.52 0.00 0.00 0.00 175.10 175.88 1okd n VAL 123 N -1.35 1.25 -3.55 2.92 0.31 -0.83 -4.83 118.33 112.25 1okd n VAL 123 Ca 0.12 -0.46 -0.16 0.00 -0.01 0.00 0.00 64.34 63.83 1okd n VAL 123 Cb 0.50 -1.32 -0.06 0.00 -0.91 0.00 0.00 33.84 32.05 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 -2.43 0.00 -0.47 2.52 -1.32 -0.82 -3.46 115.64 109.66 1okd s THR 124 Ca -0.30 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.27 1okd s THR 124 Cb 0.08 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.37 1okd s THR 124 CO 0.49 0.00 0.71 0.35 -2.21 0.00 0.00 174.62 173.97 1okd n THR 125 N 1.12 0.79 -2.62 5.08 -2.24 -1.26 -2.04 114.28 113.11 1okd n THR 125 Ca -0.16 -4.73 -0.02 0.00 -2.27 0.00 0.00 64.05 56.86 1okd n THR 125 Cb 0.57 -1.35 -0.03 0.00 -2.10 0.00 0.00 70.33 67.43 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 0.63 0.03 0.10 -0.78 -4.01 -1.23 -5.00 116.66 106.39 1okd n ARG 126 Ca 0.26 -0.41 0.13 0.00 -1.04 0.00 0.00 57.85 56.79 1okd n ARG 126 Cb 0.52 0.00 0.45 0.00 -3.04 0.00 0.00 32.46 30.39 1okd n ARG 126 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1okd n ALA 127 N -0.39 2.10 -0.28 2.89 0.00 -0.65 -3.62 120.51 120.56 1okd n ALA 127 Ca -0.24 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.26 1okd n ALA 127 Cb 0.59 -1.44 0.22 0.00 0.00 0.00 0.00 19.45 18.82 1okd n ALA 127 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1okd h ARG 128 N 0.00 0.51 0.00 0.00 0.11 -1.94 -0.25 114.38 112.81 1okd h ARG 128 Ca 0.00 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 60.03 1okd h ARG 128 Cb 0.60 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 31.56 1okd h ARG 128 CO 0.00 0.34 -0.34 0.00 0.10 0.00 0.00 179.97 180.07 1okd h ALA 129 N 1.57 0.03 -0.34 0.08 0.00 -1.96 -3.37 119.26 115.26 1okd h ALA 129 Ca 0.45 -0.38 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1okd h ALA 129 Cb 0.68 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 1okd h ALA 129 CO -0.39 0.29 -0.17 1.79 0.00 0.00 0.00 179.25 180.76 1okd h THR 130 N -1.00 0.49 -0.80 0.00 1.35 -1.64 0.71 112.91 112.02 1okd h THR 130 Ca -0.04 0.00 0.20 0.00 -0.55 0.00 0.00 66.41 66.02 1okd h THR 130 Cb 0.43 0.49 -0.05 0.00 -1.73 0.00 0.00 68.15 67.29 1okd h THR 130 CO -0.02 0.00 0.55 0.25 -0.25 0.00 0.00 175.52 176.05 1okd h LEU 131 N -0.12 0.22 0.12 3.87 5.85 -1.26 1.22 115.31 125.22 1okd h LEU 131 Ca 0.17 0.02 -0.36 0.00 0.84 0.00 0.00 57.88 58.55 1okd h LEU 131 Cb 0.38 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1okd h LEU 131 CO -0.41 0.10 -1.96 0.58 -0.34 0.00 0.00 178.44 176.41 1okd h VAL 132 N 0.23 0.66 -0.56 1.05 2.07 -1.36 -3.37 116.25 114.97 1okd h VAL 132 Ca 0.40 -2.38 -0.09 0.00 0.82 0.00 0.00 66.70 65.45 1okd h VAL 132 Cb 1.22 2.53 -0.06 0.00 -1.52 0.00 0.00 31.29 33.46 1okd h VAL 132 CO -0.09 0.88 0.12 0.29 0.02 0.00 0.00 177.57 178.79 1okd n LYS 133 N -3.47 3.81 -3.01 1.57 4.76 0.23 -4.48 118.16 117.57 1okd n LYS 133 Ca -0.30 -2.62 -0.17 0.00 -2.87 0.00 0.00 58.31 52.35 1okd n LYS 133 Cb 1.05 -2.11 -0.02 0.00 -1.84 0.00 0.00 35.03 32.10 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 0.23 -1.26 0.00 4.39 2.03 0.41 -4.88 116.55 117.47 1okd n ASP 134 Ca 0.29 -2.92 0.03 0.00 0.52 0.00 0.00 54.79 52.72 1okd n ASP 134 Cb 1.14 0.45 0.19 0.00 -0.72 0.00 0.00 41.12 42.19 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 1.69 0.97 -0.01 -0.67 -0.04 -1.26 -3.10 135.00 132.58 1okd n PRO 135 Ca 0.17 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.73 1okd n PRO 135 Cb 0.57 -1.10 -0.17 0.00 -0.04 0.00 0.00 33.50 32.75 1okd n PRO 135 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1okd n GLU 136 N -0.60 0.66 -1.95 0.54 0.28 -1.26 -4.97 120.64 113.34 1okd n GLU 136 Ca 0.05 -0.19 -0.14 0.00 -0.16 0.00 0.00 57.16 56.72 1okd n GLU 136 Cb 0.02 -1.52 -0.03 0.00 1.43 0.00 0.00 31.44 31.34 1okd n GLU 136 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1okd n GLY 137 N 1.27 0.34 0.08 -1.84 0.00 -1.18 -4.80 105.19 99.06 1okd n GLY 137 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.41 0.25 0.00 1.61 -0.00 -1.26 -3.92 120.64 114.91 1okd n GLU 138 Ca -0.15 0.14 0.00 0.00 -0.00 0.00 0.00 57.16 57.15 1okd n GLU 138 Cb 0.55 -1.73 0.00 0.00 -0.00 0.00 0.00 31.44 30.26 1okd n GLU 138 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1okd n GLN 139 N -2.13 0.69 -0.04 3.44 1.13 -1.26 -4.92 117.38 114.30 1okd n GLN 139 Ca 0.05 -0.77 0.00 0.00 -1.94 0.00 0.00 57.00 54.35 1okd n GLN 139 Cb 0.43 -0.84 0.01 0.00 0.11 0.00 0.00 30.24 29.95 1okd n GLN 139 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59 1okd n PHE 140 N -0.17 0.03 0.12 1.08 -1.74 -1.25 0.34 117.46 115.86 1okd n PHE 140 Ca 0.00 0.12 0.00 0.00 -0.56 0.00 0.00 57.45 57.01 1okd n PHE 140 Cb 0.21 -0.55 0.00 0.00 1.52 0.00 0.00 39.48 40.65 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 -4.16 0.68 0.00 3.97 -0.04 -1.26 -4.63 135.00 129.56 1okd n PRO 141 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1okd n PRO 141 Cb 0.05 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 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 1.21 0.00 -0.23 0.54 8.01 1.02 -4.42 117.44 123.57 1okd n TRP 142 Ca 0.00 0.00 -0.28 0.00 -1.31 0.00 0.00 57.50 55.91 1okd n TRP 142 Cb 0.34 -0.11 0.27 0.00 -2.01 0.00 0.00 31.31 29.80 1okd n TRP 142 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1okd n LYS 143 N -1.72 -4.43 -1.65 -0.99 5.02 -1.25 -4.80 118.16 108.34 1okd n LYS 143 Ca 0.00 -1.32 -0.53 0.00 -2.02 0.00 0.00 58.31 54.44 1okd n LYS 143 Cb 0.00 -1.77 -0.06 0.00 -0.02 0.00 0.00 35.03 33.18 1okd n LYS 143 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1okd n ASP 144 N -5.27 2.14 -3.47 4.39 8.00 -1.22 -4.79 116.55 116.34 1okd n ASP 144 Ca 0.12 1.09 -0.29 0.00 0.71 0.00 0.00 54.79 56.43 1okd n ASP 144 Cb 0.54 -1.20 -0.12 0.00 -0.02 0.00 0.00 41.12 40.32 1okd n ASP 144 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1okd s ALA 145 N 1.87 0.97 -0.37 2.24 0.00 -1.26 -4.42 121.76 120.79 1okd s ALA 145 Ca 0.90 -1.90 -0.28 0.00 0.00 0.00 0.00 51.96 50.68 1okd s ALA 145 Cb -0.96 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.53 1okd s ALA 145 CO 0.53 -2.10 1.77 -1.25 0.00 0.00 0.00 175.76 174.71 1okd s PRO 146 N 1.02 3.27 0.00 0.00 0.04 -1.26 -4.73 135.00 133.34 1okd s PRO 146 Ca 0.18 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1okd s PRO 146 Cb -0.22 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.11 1okd s PRO 146 CO 0.00 -1.94 0.00 1.28 0.04 0.00 0.00 177.00 176.38 1okd n LEU 147 N 10.47 0.00 -3.83 -3.56 7.99 -1.26 -4.95 117.00 121.86 1okd n LEU 147 Ca 0.22 0.00 -0.28 0.00 -0.01 0.00 0.00 56.01 55.94 1okd n LEU 147 Cb 0.48 0.00 -0.16 0.00 -0.11 0.00 0.00 43.42 43.62 1okd n LEU 147 CO 0.69 0.00 -0.40 -1.61 -1.51 0.00 0.00 177.39 174.56 1okd s GLU 148 N 0.00 1.10 0.00 3.23 8.01 -1.26 -5.20 118.70 124.58 1okd s GLU 148 Ca 0.00 -0.49 0.00 0.00 0.01 0.00 0.00 54.97 54.49 1okd s GLU 148 Cb 0.00 -2.02 0.00 0.00 -4.31 0.00 0.00 34.13 27.80 1okd s GLU 148 CO 0.00 -0.52 0.00 1.58 0.01 0.00 0.00 175.26 176.33