#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1okd h GLY 3 N 0.00 0.00 0.30 0.23 0.00 -1.63 -1.93 103.07 100.04 1okd h GLY 3 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.53 1okd h GLY 3 CO 0.00 0.00 0.66 1.41 0.00 0.00 0.00 176.54 178.61 1okd h LEU 4 N 0.00 0.00 -1.47 3.11 3.38 -1.81 0.27 115.31 118.79 1okd h LEU 4 Ca 0.02 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.11 1okd h LEU 4 Cb 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1okd h LEU 4 CO -0.00 0.00 0.50 0.44 0.09 0.00 0.00 178.44 179.47 1okd h ASP 5 N 0.00 0.52 0.63 -0.43 5.19 -1.46 0.37 116.42 121.24 1okd h ASP 5 Ca 0.33 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 1okd h ASP 5 Cb 1.64 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 41.06 1okd h ASP 5 CO -0.00 0.29 -0.07 2.29 -3.12 0.00 0.00 179.24 178.63 1okd n LYS 6 N -4.50 0.34 -0.10 3.56 2.85 0.95 -4.05 118.16 117.21 1okd n LYS 6 Ca 0.14 -0.06 -0.16 0.00 -1.05 0.00 0.00 58.31 57.18 1okd n LYS 6 Cb 0.42 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.24 1okd n LYS 6 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1okd n TYR 7 N -1.28 0.42 0.05 5.58 4.02 0.12 -4.83 117.16 121.24 1okd n TYR 7 Ca 0.12 0.18 0.00 0.00 -0.01 0.00 0.00 57.90 58.19 1okd n TYR 7 Cb 0.29 -0.81 0.00 0.00 -0.02 0.00 0.00 39.34 38.80 1okd n TYR 7 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1okd n LEU 8 N -4.44 -0.97 -4.45 7.72 -0.00 -0.36 -3.28 117.00 111.22 1okd n LEU 8 Ca -0.26 0.32 -0.39 0.00 -0.00 0.00 0.00 56.01 55.67 1okd n LEU 8 Cb 0.58 1.15 0.03 0.00 -0.00 0.00 0.00 43.42 45.18 1okd n LEU 8 CO 0.13 -0.06 0.01 -2.65 -0.00 0.00 0.00 177.39 174.82 1okd n PRO 9 N -2.69 0.50 -0.09 1.96 -0.02 -1.20 -3.96 135.00 129.51 1okd n PRO 9 Ca 0.00 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1okd n PRO 9 Cb 0.00 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 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 1.84 1.57 0.00 -1.23 0.00 -1.26 -3.88 105.19 102.23 1okd n GLY 10 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1okd n GLY 10 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1okd n ILE 11 N -1.49 0.00 0.00 -0.61 5.41 -1.25 -5.09 119.36 116.33 1okd n ILE 11 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1okd n ILE 11 Cb 0.02 -0.69 0.00 0.00 -0.71 0.00 0.00 39.64 38.26 1okd n ILE 11 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1okd n GLU 12 N -1.12 0.00 -3.81 0.38 -0.58 -1.26 -5.12 120.64 109.13 1okd n GLU 12 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 1okd n GLU 12 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.80 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 0.93 0.34 3.49 1.02 -1.26 -3.87 119.74 120.39 1okd s LYS 13 Ca 0.00 -0.92 0.08 0.00 0.02 0.00 0.00 55.97 55.16 1okd s LYS 13 Cb 0.00 0.38 -0.04 0.00 -0.52 0.00 0.00 37.83 37.65 1okd s LYS 13 CO 0.00 -0.32 0.15 -0.51 -0.92 0.00 0.00 175.35 173.75 1okd s LEU 14 N -2.86 3.26 -0.66 3.17 1.43 -1.25 -4.81 118.68 116.96 1okd s LEU 14 Ca 0.06 -0.78 -0.20 0.00 -1.03 0.00 0.00 54.13 52.17 1okd s LEU 14 Cb 0.04 -1.73 0.09 0.00 0.03 0.00 0.00 46.19 44.62 1okd s LEU 14 CO -0.10 -0.31 0.86 -0.13 0.23 0.00 0.00 176.35 176.90 1okd s ARG 15 N -3.85 3.14 0.31 1.70 0.52 0.19 -3.68 118.95 117.29 1okd s ARG 15 Ca 0.38 -1.18 0.08 0.00 -0.52 0.00 0.00 55.73 54.49 1okd s ARG 15 Cb -0.02 -4.32 -0.03 0.00 0.52 0.00 0.00 34.95 31.09 1okd s ARG 15 CO 0.23 -1.68 0.22 0.50 0.02 0.00 0.00 175.30 174.58 1okd s ARG 16 N 3.23 2.67 0.29 3.54 3.52 -1.04 -2.81 118.95 128.36 1okd s ARG 16 Ca 0.18 -1.29 -0.28 0.00 -0.13 0.00 0.00 55.73 54.21 1okd s ARG 16 Cb -0.19 -2.42 -0.14 0.00 -1.56 0.00 0.00 34.95 30.65 1okd s ARG 16 CO 0.06 0.19 1.08 0.41 -0.81 0.00 0.00 175.30 176.23 1okd n GLY 17 N -1.25 -0.07 5.00 8.12 0.00 -1.19 -2.78 105.19 113.03 1okd n GLY 17 Ca -0.04 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1okd n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1okd n ASP 18 N 1.23 0.00 -1.61 1.61 -0.08 -1.26 -4.69 116.55 111.76 1okd n ASP 18 Ca 0.09 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.33 1okd n ASP 18 Cb 0.32 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.77 1okd n ASP 18 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1okd n GLY 19 N 0.00 2.83 3.94 0.27 0.00 -1.12 -5.17 105.19 105.95 1okd n GLY 19 Ca 0.00 -1.45 -0.24 0.00 0.00 0.00 0.00 46.02 44.32 1okd n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1okd s GLU 20 N -2.24 3.49 -0.03 1.61 1.03 -1.26 -2.51 118.70 118.78 1okd s GLU 20 Ca 0.09 -0.45 0.07 0.00 0.03 0.00 0.00 54.97 54.71 1okd s GLU 20 Cb -0.00 -2.79 -0.01 0.00 -0.80 0.00 0.00 34.13 30.53 1okd s GLU 20 CO 0.06 0.31 -0.23 0.14 -1.33 0.00 0.00 175.26 174.21 1okd s VAL 21 N -2.06 1.87 0.28 1.83 -7.23 -1.24 -4.92 120.40 108.93 1okd s VAL 21 Ca 0.38 -0.99 -0.30 0.00 -1.81 0.00 0.00 61.98 59.25 1okd s VAL 21 Cb -0.10 -1.57 -0.12 0.00 0.56 0.00 0.00 36.38 35.15 1okd s VAL 21 CO 0.32 0.53 1.52 -0.62 -0.31 0.00 0.00 175.10 176.54 1okd n GLU 22 N 2.71 2.48 0.11 4.82 1.02 -1.26 -3.80 120.64 126.73 1okd n GLU 22 Ca -0.16 0.88 0.18 0.00 -0.02 0.00 0.00 57.16 58.03 1okd n GLU 22 Cb 0.52 -2.62 0.74 0.00 -0.02 0.00 0.00 31.44 30.06 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 3.20 0.64 -0.60 2.62 2.07 -1.97 -1.02 116.25 121.19 1okd h VAL 23 Ca -0.47 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.23 1okd h VAL 23 Cb 1.24 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1okd h VAL 23 CO 0.77 0.00 0.54 0.11 0.02 0.00 0.00 177.57 179.01 1okd h LYS 24 N 0.00 0.00 0.00 1.57 1.79 -1.91 0.20 116.57 118.22 1okd h LYS 24 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1okd h LYS 24 Cb 0.72 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1okd h LYS 24 CO -0.00 0.00 0.00 0.77 -1.08 0.00 0.00 179.45 179.14 1okd h SER 25 N 0.00 0.00 -1.24 0.86 0.02 -1.54 -1.97 113.55 109.68 1okd h SER 25 Ca 0.29 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.54 1okd h SER 25 Cb 1.36 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.62 1okd h SER 25 CO -0.00 0.00 0.91 0.18 -1.14 0.00 0.00 176.83 176.78 1okd n LEU 26 N -2.82 7.64 -4.28 5.07 4.77 0.69 -4.83 117.00 123.24 1okd n LEU 26 Ca -0.02 -4.41 -0.44 0.00 -0.03 0.00 0.00 56.01 51.11 1okd n LEU 26 Cb 0.07 -1.01 -0.03 0.00 -2.33 0.00 0.00 43.42 40.12 1okd n LEU 26 CO 0.17 1.54 0.52 0.00 -1.33 0.00 0.00 177.39 178.29 1okd s ALA 27 N -3.83 4.32 0.00 -1.18 0.00 -0.74 -4.49 121.76 115.84 1okd s ALA 27 Ca 0.61 -3.60 0.00 0.00 0.00 0.00 0.00 51.96 48.97 1okd s ALA 27 Cb 0.49 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 20.25 1okd s ALA 27 CO -0.11 -2.21 0.00 0.41 0.00 0.00 0.00 175.76 173.84 1okd n GLY 28 N 3.18 0.74 3.49 0.00 0.00 -1.26 -4.92 105.19 106.42 1okd n GLY 28 Ca 0.18 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.11 1.36 -0.85 1.61 -2.85 -1.26 -4.85 119.74 111.79 1okd s LYS 29 Ca 0.00 -1.05 -0.17 0.00 -1.00 0.00 0.00 55.97 53.74 1okd s LYS 29 Cb 0.00 0.47 0.15 0.00 -2.06 0.00 0.00 37.83 36.39 1okd s LYS 29 CO 0.00 -0.55 0.96 -1.17 0.10 0.00 0.00 175.35 174.69 1okd s LEU 30 N -2.94 5.59 -0.28 2.77 2.96 -1.26 -1.24 118.68 124.29 1okd s LEU 30 Ca 0.15 -2.13 -0.22 0.00 -0.22 0.00 0.00 54.13 51.70 1okd s LEU 30 Cb 0.00 -2.33 -0.01 0.00 0.50 0.00 0.00 46.19 44.35 1okd s LEU 30 CO 0.01 -0.93 0.72 -0.69 -1.32 0.00 0.00 176.35 174.14 1okd s VAL 31 N 1.96 4.88 0.33 1.68 1.01 -0.33 -3.38 120.40 126.55 1okd s VAL 31 Ca 0.25 1.18 -0.10 0.00 0.00 0.00 0.00 61.98 63.31 1okd s VAL 31 Cb -0.09 -4.05 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 1okd s VAL 31 CO -0.07 -0.12 0.67 -0.36 0.00 0.00 0.00 175.10 175.23 1okd s PHE 32 N 2.74 3.44 -0.25 5.22 0.40 -0.25 -2.10 117.98 127.18 1okd s PHE 32 Ca 0.30 0.97 -0.01 0.00 -0.60 0.00 0.00 56.93 57.59 1okd s PHE 32 Cb -0.15 -2.36 0.07 0.00 0.51 0.00 0.00 43.02 41.09 1okd s PHE 32 CO 0.10 0.07 0.02 -0.06 0.70 0.00 0.00 175.22 176.05 1okd s PHE 33 N -2.11 1.89 -0.19 0.36 0.08 8.82 0.62 117.98 127.44 1okd s PHE 33 Ca 0.50 -1.56 -0.17 0.00 0.12 0.00 0.00 56.93 55.82 1okd s PHE 33 Cb -0.11 -1.53 -0.04 0.00 -0.57 0.00 0.00 43.02 40.78 1okd s PHE 33 CO 0.26 -0.76 0.47 -0.47 -0.10 0.00 0.00 175.22 174.61 1okd s TYR 34 N 1.56 3.39 -0.13 0.36 6.14 12.05 -2.22 117.35 138.50 1okd s TYR 34 Ca 0.01 0.73 -0.05 0.00 0.64 0.00 0.00 57.07 58.39 1okd s TYR 34 Cb -0.18 -2.60 -0.04 0.00 0.42 0.00 0.00 41.96 39.56 1okd s TYR 34 CO -0.12 -0.04 0.05 -0.06 0.64 0.00 0.00 175.55 176.02 1okd s PHE 35 N 1.40 3.26 -0.11 4.97 0.40 -0.61 0.44 117.98 127.73 1okd s PHE 35 Ca 0.22 0.16 -0.33 0.00 -0.60 0.00 0.00 56.93 56.39 1okd s PHE 35 Cb -0.15 -1.94 0.13 0.00 0.51 0.00 0.00 43.02 41.56 1okd s PHE 35 CO 0.09 0.35 1.19 -1.12 0.70 0.00 0.00 175.22 176.43 1okd s SER 36 N -0.32 -0.14 0.25 1.36 0.01 -1.18 -1.98 113.70 111.71 1okd s SER 36 Ca 0.08 -0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.30 1okd s SER 36 Cb -0.12 0.19 -0.05 0.00 0.21 0.00 0.00 66.02 66.24 1okd s SER 36 CO 0.02 -0.32 0.05 0.00 0.41 0.00 0.00 173.24 173.40 1okd s ALA 37 N -2.52 1.83 -2.33 1.44 0.00 -1.26 0.13 121.76 119.04 1okd s ALA 37 Ca 0.11 -1.85 0.22 0.00 0.00 0.00 0.00 51.96 50.44 1okd s ALA 37 Cb 0.01 0.77 0.81 0.00 0.00 0.00 0.00 23.12 24.71 1okd s ALA 37 CO -0.04 -0.36 1.59 -1.13 0.00 0.00 0.00 175.76 175.81 1okd n SER 38 N -0.47 1.67 0.00 0.00 3.41 -1.26 -3.82 113.62 113.15 1okd n SER 38 Ca -0.02 -1.67 0.00 0.00 -0.26 0.00 0.00 58.87 56.92 1okd n SER 38 Cb 0.65 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1okd n SER 38 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1okd n TRP 39 N 0.32 0.00 -1.20 7.33 4.27 -1.26 -5.03 117.44 121.87 1okd n TRP 39 Ca 0.17 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.43 1okd n TRP 39 Cb 0.34 0.00 0.11 0.00 -1.36 0.00 0.00 31.31 30.40 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 -0.66 -0.21 0.02 0.00 0.11 -1.94 -3.35 132.00 125.98 1okd h PRO 41 Ca -0.47 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1okd h PRO 41 Cb 1.31 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1okd h PRO 41 CO 0.46 -0.14 -0.01 -1.35 -0.21 0.00 0.00 178.00 176.75 1okd h PRO 42 N -0.21 -0.03 -3.85 1.05 0.11 -1.94 -3.46 132.00 123.67 1okd h PRO 42 Ca 0.02 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.00 1okd h PRO 42 Cb 0.24 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.34 1okd h PRO 42 CO -0.07 -0.02 -0.17 0.00 -0.21 0.00 0.00 178.00 177.53 1okd n ARG 44 N -2.44 0.00 0.00 0.00 0.63 -1.26 -5.06 116.66 108.53 1okd n ARG 44 Ca -0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 1okd n ARG 44 Cb 0.50 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.41 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 0.00 0.00 0.00 5.14 0.00 -1.26 -5.03 105.19 104.04 1okd n GLY 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1okd n GLY 45 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1okd n PHE 46 N 0.00 0.00 -0.35 1.61 7.35 -1.26 -5.00 117.46 119.81 1okd n PHE 46 Ca 0.00 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1okd n PHE 46 Cb 0.00 0.00 0.06 0.00 0.35 0.00 0.00 39.48 39.89 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 0.03 0.00 -2.13 2.02 -1.97 0.82 112.91 111.68 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 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 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 -5.50 0.96 0.08 6.66 -0.04 -1.26 -3.47 135.00 132.44 1okd n PRO 48 Ca 0.11 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.51 1okd n PRO 48 Cb 0.41 -1.35 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.00 0.00 0.54 1.08 0.30 -3.23 115.11 113.80 1okd h GLN 49 Ca 0.00 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 1okd h GLN 49 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1okd h GLN 49 CO 0.00 0.88 -0.44 1.25 -0.95 0.00 0.00 178.83 179.58 1okd h LEU 50 N 0.00 0.00 -0.68 1.46 5.85 -1.60 -3.28 115.31 117.06 1okd h LEU 50 Ca -0.01 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.84 1okd h LEU 50 Cb 1.57 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.50 1okd h LEU 50 CO 0.11 0.44 0.18 0.40 -0.34 0.00 0.00 178.44 179.24 1okd h ILE 51 N 0.00 0.61 -0.64 4.05 2.04 -1.75 0.55 117.51 122.38 1okd h ILE 51 Ca -0.00 -0.11 -0.09 0.00 1.00 0.00 0.00 64.86 65.66 1okd h ILE 51 Cb 1.22 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1okd h ILE 51 CO 0.06 0.06 0.06 -0.33 0.00 0.00 0.00 178.15 177.99 1okd h GLU 52 N 0.31 1.09 0.00 2.37 5.08 -1.74 0.14 114.58 121.82 1okd h GLU 52 Ca 0.37 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1okd h GLU 52 Cb 0.57 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1okd h GLU 52 CO -0.43 1.03 -0.22 0.35 -1.00 0.00 0.00 179.01 178.73 1okd h PHE 53 N 1.01 0.00 0.00 4.33 3.57 -0.91 -1.95 116.94 122.98 1okd h PHE 53 Ca 0.19 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1okd h PHE 53 Cb 0.50 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1okd h PHE 53 CO 0.04 0.22 -0.17 -0.92 -2.23 0.00 0.00 178.31 175.25 1okd h TYR 54 N 0.00 0.00 -0.33 0.41 3.20 0.59 -3.38 116.97 117.46 1okd h TYR 54 Ca -0.00 0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.96 1okd h TYR 54 Cb 0.46 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1okd h TYR 54 CO 0.00 0.00 0.32 0.22 -1.64 0.00 0.00 178.16 177.06 1okd h ASP 55 N -0.69 0.00 -0.30 -2.11 1.82 -0.83 1.13 116.42 115.44 1okd h ASP 55 Ca 0.00 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.65 1okd h ASP 55 Cb 0.17 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.16 1okd h ASP 55 CO 0.00 0.00 0.19 0.07 -1.61 0.00 0.00 179.24 177.89 1okd h LYS 56 N 0.00 0.39 0.00 0.28 5.09 -1.52 -3.37 116.57 117.44 1okd h LYS 56 Ca 0.16 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.87 1okd h LYS 56 Cb 0.80 -0.09 0.00 0.00 0.10 0.00 0.00 32.23 33.04 1okd h LYS 56 CO -0.00 0.26 0.00 0.34 -2.09 0.00 0.00 179.45 177.95 1okd n PHE 57 N -4.89 0.00 -0.01 0.07 -0.00 -0.94 -4.82 117.46 106.87 1okd n PHE 57 Ca -0.01 -0.07 0.24 0.00 -0.00 0.00 0.00 57.45 57.60 1okd n PHE 57 Cb 0.03 -0.01 0.68 0.00 -0.00 0.00 0.00 39.48 40.18 1okd n PHE 57 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.76 177.88 1okd h HIS 58 N 0.00 0.00 -0.05 -5.13 2.07 0.11 0.79 115.15 112.95 1okd h HIS 58 Ca 0.00 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.38 1okd h HIS 58 Cb 0.52 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.49 1okd h HIS 58 CO 0.00 0.00 -0.59 0.93 -3.07 0.00 0.00 177.93 175.20 1okd h GLU 59 N 0.00 0.16 0.00 5.12 5.08 -1.84 -0.91 114.58 122.20 1okd h GLU 59 Ca 0.30 -0.11 -0.29 0.00 -1.00 0.00 0.00 59.36 58.25 1okd h GLU 59 Cb 1.62 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.84 1okd h GLU 59 CO -0.00 0.70 -1.61 0.45 -1.00 0.00 0.00 179.01 177.55 1okd n SER 60 N -3.87 1.89 0.28 1.42 2.88 0.24 -4.22 113.62 112.24 1okd n SER 60 Ca -0.02 0.39 0.13 0.00 -1.33 0.00 0.00 58.87 58.05 1okd n SER 60 Cb 0.60 -0.93 0.79 0.00 -0.75 0.00 0.00 64.21 63.93 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 -0.97 0.00 -6.32 -1.46 1.57 -0.62 -3.47 116.57 105.30 1okd h LYS 61 Ca -0.44 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 57.93 1okd h LYS 61 Cb 1.40 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.75 1okd h LYS 61 CO -0.26 0.07 -0.86 -1.71 -0.57 0.00 0.00 179.45 176.12 1okd n ASN 62 N -3.79 -5.41 -4.35 0.86 2.85 -0.35 -4.95 115.26 100.12 1okd n ASN 62 Ca -0.02 -0.92 -0.19 0.00 -0.11 0.00 0.00 54.58 53.34 1okd n ASN 62 Cb 0.17 -3.03 -0.10 0.00 1.24 0.00 0.00 39.78 38.06 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 -3.31 1.72 0.30 1.20 -0.71 -1.25 -4.66 117.98 111.27 1okd s PHE 63 Ca 0.31 -1.10 0.04 0.00 -1.04 0.00 0.00 56.93 55.14 1okd s PHE 63 Cb -0.13 -1.06 -0.06 0.00 -1.21 0.00 0.00 43.02 40.56 1okd s PHE 63 CO 0.87 -0.20 0.03 -2.00 -1.34 0.00 0.00 175.22 172.57 1okd s GLU 64 N -3.96 1.57 -0.03 1.99 2.56 -1.22 -5.00 118.70 114.62 1okd s GLU 64 Ca 0.37 -1.84 -0.01 0.00 0.00 0.00 0.00 54.97 53.49 1okd s GLU 64 Cb 0.08 -0.85 0.03 0.00 2.00 0.00 0.00 34.13 35.39 1okd s GLU 64 CO 0.15 -0.13 0.06 0.08 -0.56 0.00 0.00 175.26 174.85 1okd s VAL 65 N -3.28 -0.06 -0.07 3.70 1.01 -1.26 -1.09 120.40 119.34 1okd s VAL 65 Ca 0.34 0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.50 1okd s VAL 65 Cb 0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.30 1okd s VAL 65 CO 0.14 0.09 0.07 -0.69 0.00 0.00 0.00 175.10 174.70 1okd s VAL 66 N 1.10 4.81 -0.58 2.92 1.01 0.20 -2.77 120.40 127.10 1okd s VAL 66 Ca -0.09 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.59 1okd s VAL 66 Cb -0.13 -3.11 0.14 0.00 0.00 0.00 0.00 36.38 33.29 1okd s VAL 66 CO -0.04 0.53 0.52 0.12 0.00 0.00 0.00 175.10 176.23 1okd s PHE 67 N -1.03 3.37 0.50 5.22 5.36 0.33 -1.40 117.98 130.33 1okd s PHE 67 Ca 0.17 -1.53 -0.14 0.00 -0.96 0.00 0.00 56.93 54.47 1okd s PHE 67 Cb -0.12 -3.75 -0.07 0.00 -0.34 0.00 0.00 43.02 38.75 1okd s PHE 67 CO 0.07 -1.01 0.93 0.00 -1.46 0.00 0.00 175.22 173.75 1okd s THR 69 N -2.63 3.15 -0.22 0.00 -1.32 -1.26 -3.08 115.64 110.27 1okd s THR 69 Ca 0.56 -1.90 0.22 0.00 -1.21 0.00 0.00 61.69 59.36 1okd s THR 69 Cb -0.10 -2.62 0.47 0.00 -1.51 0.00 0.00 72.50 68.73 1okd s THR 69 CO 0.35 -0.27 1.17 0.79 -2.21 0.00 0.00 174.62 174.45 1okd n TRP 70 N -0.44 0.60 -3.80 9.09 7.02 0.35 -4.65 117.44 125.61 1okd n TRP 70 Ca -0.08 -1.78 -0.22 0.00 -1.02 0.00 0.00 57.50 54.40 1okd n TRP 70 Cb 0.58 0.03 -0.04 0.00 -2.42 0.00 0.00 31.31 29.45 1okd n TRP 70 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1okd s ASP 71 N -3.11 4.98 -0.14 -0.99 -1.08 -1.26 -4.46 116.67 110.62 1okd s ASP 71 Ca 0.25 -0.71 0.18 0.00 -0.52 0.00 0.00 52.55 51.75 1okd s ASP 71 Cb 0.34 -0.71 -0.26 0.00 -1.46 0.00 0.00 42.92 40.83 1okd s ASP 71 CO -0.07 -0.49 0.18 -1.84 0.52 0.00 0.00 175.17 173.47 1okd n GLU 72 N -1.39 0.85 -4.33 4.34 0.28 -1.26 -4.96 120.64 114.17 1okd n GLU 72 Ca 0.00 -0.06 -0.33 0.00 -0.16 0.00 0.00 57.16 56.61 1okd n GLU 72 Cb 0.61 -1.48 -0.09 0.00 1.43 0.00 0.00 31.44 31.91 1okd n GLU 72 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1okd s GLU 73 N -2.73 2.86 0.25 3.44 2.12 -1.26 -5.01 118.70 118.37 1okd s GLU 73 Ca -0.09 -0.53 0.09 0.00 0.36 0.00 0.00 54.97 54.81 1okd s GLU 73 Cb 0.08 -2.71 0.29 0.00 0.26 0.00 0.00 34.13 32.04 1okd s GLU 73 CO 0.79 0.66 1.57 0.93 -0.54 0.00 0.00 175.26 178.67 1okd h GLU 74 N 4.68 0.03 -0.79 4.30 5.08 -2.00 -3.13 114.58 122.75 1okd h GLU 74 Ca -0.50 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 57.94 1okd h GLU 74 Cb 1.18 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 1okd h GLU 74 CO 0.56 0.67 0.51 0.22 -1.00 0.00 0.00 179.01 179.98 1okd h ASP 75 N 0.02 0.63 0.12 1.42 3.58 -1.99 -1.20 116.42 119.01 1okd h ASP 75 Ca -0.01 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 1okd h ASP 75 Cb 1.17 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.10 1okd h ASP 75 CO 0.09 0.37 -0.06 1.23 -2.88 0.00 0.00 179.24 177.99 1okd h GLY 76 N 0.70 -0.17 0.57 -0.78 0.00 -1.95 -1.99 103.07 99.44 1okd h GLY 76 Ca 0.36 0.06 0.19 0.00 0.00 0.00 0.00 47.33 47.95 1okd h GLY 76 CO -0.14 -0.06 0.53 -2.75 0.00 0.00 0.00 176.54 174.12 1okd h PHE 77 N -0.97 0.00 0.00 5.60 3.57 -1.52 0.10 116.94 123.72 1okd h PHE 77 Ca -0.02 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1okd h PHE 77 Cb 0.43 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 1okd h PHE 77 CO 0.08 0.00 -0.11 0.00 -2.23 0.00 0.00 178.31 176.05 1okd h ALA 78 N 1.54 0.02 0.00 2.41 0.00 -1.28 -2.99 119.26 118.96 1okd h ALA 78 Ca 0.31 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1okd h ALA 78 Cb 1.37 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1okd h ALA 78 CO -0.00 0.07 0.04 0.41 0.00 0.00 0.00 179.25 179.76 1okd n GLY 79 N 1.65 -0.81 0.25 0.00 0.00 -0.75 0.64 105.19 106.17 1okd n GLY 79 Ca -0.08 0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.18 0.00 0.28 1.61 4.19 0.28 -4.24 117.16 117.09 1okd n TYR 80 Ca -0.01 0.00 0.17 0.00 3.31 0.00 0.00 57.90 61.37 1okd n TYR 80 Cb 0.07 -0.08 0.86 0.00 0.49 0.00 0.00 39.34 40.68 1okd n TYR 80 CO 0.00 0.00 0.00 0.35 0.91 0.00 0.00 176.86 178.12 1okd h PHE 81 N 1.23 0.00 -1.33 2.98 3.04 0.36 -2.20 116.94 121.02 1okd h PHE 81 Ca 0.00 0.00 0.38 0.00 3.98 0.00 0.00 57.97 62.33 1okd h PHE 81 Cb 0.59 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.05 1okd h PHE 81 CO 0.00 0.00 0.99 0.00 -2.02 0.00 0.00 178.31 177.28 1okd h ALA 82 N 1.51 3.25 -2.90 2.41 0.00 -1.76 -3.41 119.26 118.36 1okd h ALA 82 Ca 0.05 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1okd h ALA 82 Cb 0.62 0.10 0.10 0.00 0.00 0.00 0.00 17.79 18.62 1okd h ALA 82 CO -0.00 -1.67 -0.09 1.63 0.00 0.00 0.00 179.25 179.12 1okd n LYS 83 N -4.05 -3.12 -1.68 0.00 5.02 -0.83 -4.77 118.16 108.74 1okd n LYS 83 Ca 0.29 -0.70 -0.57 0.00 -2.02 0.00 0.00 58.31 55.31 1okd n LYS 83 Cb 1.41 -0.95 -0.07 0.00 -0.02 0.00 0.00 35.03 35.40 1okd n LYS 83 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1okd n MET 84 N -3.59 1.06 0.01 1.97 2.81 -1.26 -4.86 117.12 113.28 1okd n MET 84 Ca 0.07 0.39 0.12 0.00 -1.81 0.00 0.00 57.70 56.47 1okd n MET 84 Cb 0.29 -2.05 0.27 0.00 -0.71 0.00 0.00 33.22 31.02 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 4.43 0.07 0.00 0.03 -0.04 -1.26 -4.67 135.00 133.56 1okd n PRO 85 Ca 0.24 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1okd n PRO 85 Cb 0.13 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 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 -1.65 0.00 -3.82 0.54 2.14 -1.26 -3.14 117.44 110.25 1okd n TRP 86 Ca 0.05 0.00 -0.15 0.00 2.07 0.00 0.00 57.50 59.47 1okd n TRP 86 Cb 0.36 -0.04 -0.16 0.00 -0.81 0.00 0.00 31.31 30.66 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 -2.11 1.24 -0.13 5.67 1.43 -1.12 -4.09 118.68 119.58 1okd s LEU 87 Ca 0.00 0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.03 1okd s LEU 87 Cb 0.00 -0.09 0.04 0.00 0.03 0.00 0.00 46.19 46.18 1okd s LEU 87 CO 0.00 -0.10 0.33 0.00 0.23 0.00 0.00 176.35 176.80 1okd s ALA 88 N 0.89 -0.80 -0.31 4.21 0.00 -1.12 0.12 121.76 124.75 1okd s ALA 88 Ca -0.08 1.08 -0.23 0.00 0.00 0.00 0.00 51.96 52.74 1okd s ALA 88 Cb -0.11 -0.65 -0.00 0.00 0.00 0.00 0.00 23.12 22.36 1okd s ALA 88 CO -0.02 -0.19 0.76 0.08 0.00 0.00 0.00 175.76 176.39 1okd s VAL 89 N 0.73 4.82 0.86 0.00 1.01 -1.25 0.56 120.40 127.12 1okd s VAL 89 Ca -0.05 1.13 -0.13 0.00 0.00 0.00 0.00 61.98 62.94 1okd s VAL 89 Cb -0.06 -4.12 0.06 0.00 0.00 0.00 0.00 36.38 32.26 1okd s VAL 89 CO -0.05 -0.23 0.83 -0.81 0.00 0.00 0.00 175.10 174.84 1okd n PRO 90 N 6.15 -0.07 0.20 2.72 -0.04 -1.26 -4.82 135.00 137.88 1okd n PRO 90 Ca 0.03 0.04 0.18 0.00 -0.04 0.00 0.00 63.50 63.71 1okd n PRO 90 Cb 0.48 -2.14 0.79 0.00 -0.04 0.00 0.00 33.50 32.59 1okd n PRO 90 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1okd h PHE 91 N -1.21 0.00 -0.95 0.54 3.04 -2.00 -1.50 116.94 114.85 1okd h PHE 91 Ca -0.45 0.00 0.19 0.00 3.98 0.00 0.00 57.97 61.69 1okd h PHE 91 Cb 1.30 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 39.72 1okd h PHE 91 CO 0.43 0.00 0.61 0.00 -2.02 0.00 0.00 178.31 177.32 1okd h ALA 92 N 1.46 1.95 -0.91 2.41 0.00 -2.03 -0.67 119.26 121.47 1okd h ALA 92 Ca 0.10 0.04 -0.62 0.00 0.00 0.00 0.00 54.91 54.43 1okd h ALA 92 Cb 0.85 -0.06 -0.32 0.00 0.00 0.00 0.00 17.79 18.25 1okd h ALA 92 CO -0.00 -0.27 0.36 1.04 0.00 0.00 0.00 179.25 180.39 1okd n GLN 93 N -4.61 2.91 0.07 0.00 3.00 -0.56 -4.65 117.38 113.53 1okd n GLN 93 Ca 0.21 -3.52 0.02 0.00 -0.01 0.00 0.00 57.00 53.69 1okd n GLN 93 Cb 0.62 -2.27 0.36 0.00 0.00 0.00 0.00 30.24 28.95 1okd n GLN 93 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1okd h SER 94 N 1.98 0.34 -0.69 1.08 4.64 -1.25 -1.92 113.55 117.74 1okd h SER 94 Ca 0.53 -0.06 0.16 0.00 -0.47 0.00 0.00 61.79 61.95 1okd h SER 94 Cb 1.12 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 63.08 1okd h SER 94 CO 1.31 0.45 0.47 -0.08 -0.87 0.00 0.00 176.83 178.11 1okd h GLU 95 N 0.35 0.20 -0.15 4.77 4.81 -1.83 0.12 114.58 122.85 1okd h GLU 95 Ca 0.08 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.09 1okd h GLU 95 Cb 0.32 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1okd h GLU 95 CO 0.01 0.13 -0.73 0.00 -0.73 0.00 0.00 179.01 177.70 1okd h ALA 96 N 1.67 0.41 -0.63 2.92 0.00 -1.69 -0.63 119.26 121.31 1okd h ALA 96 Ca 0.33 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1okd h ALA 96 Cb 1.02 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1okd h ALA 96 CO -0.06 0.70 0.40 0.28 0.00 0.00 0.00 179.25 180.57 1okd h VAL 97 N 0.49 1.17 0.10 0.00 2.07 -0.73 1.41 116.25 120.75 1okd h VAL 97 Ca -0.04 -0.32 -0.27 0.00 0.82 0.00 0.00 66.70 66.89 1okd h VAL 97 Cb 1.34 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1okd h VAL 97 CO 0.15 0.16 -1.29 1.56 0.02 0.00 0.00 177.57 178.17 1okd h GLN 98 N 0.85 0.21 -0.03 1.57 4.20 -1.35 -0.54 115.11 120.03 1okd h GLN 98 Ca 0.23 -0.36 -0.21 0.00 0.06 0.00 0.00 58.65 58.37 1okd h GLN 98 Cb -0.08 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 1okd h GLN 98 CO -0.05 1.13 -0.86 0.87 -0.67 0.00 0.00 178.83 179.26 1okd h LYS 99 N 0.06 0.38 0.00 1.46 1.79 -0.37 -2.50 116.57 117.39 1okd h LYS 99 Ca -0.14 -0.37 -0.01 0.00 -2.18 0.00 0.00 60.65 57.95 1okd h LYS 99 Cb 1.95 0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 32.70 1okd h LYS 99 CO 0.18 1.04 -0.03 1.37 -1.08 0.00 0.00 179.45 180.92 1okd h LEU 100 N 0.23 0.01 -0.82 2.94 8.10 0.19 -3.30 115.31 122.66 1okd h LEU 100 Ca -0.06 -0.99 0.16 0.00 0.11 0.00 0.00 57.88 57.10 1okd h LEU 100 Cb 1.47 -0.00 -0.10 0.00 -0.44 0.00 0.00 40.66 41.59 1okd h LEU 100 CO 0.15 1.01 0.36 -1.28 -4.11 0.00 0.00 178.44 174.57 1okd h SER 101 N -0.99 0.36 -0.29 0.17 0.87 -1.19 0.42 113.55 112.91 1okd h SER 101 Ca -0.01 0.11 0.08 0.00 -1.23 0.00 0.00 61.79 60.75 1okd h SER 101 Cb 1.02 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 1okd h SER 101 CO -0.00 0.12 0.21 0.11 -0.53 0.00 0.00 176.83 176.74 1okd h LYS 102 N 0.49 0.00 0.00 2.24 1.79 -1.56 0.19 116.57 119.72 1okd h LYS 102 Ca 0.46 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.84 1okd h LYS 102 Cb 0.73 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 1okd h LYS 102 CO -0.42 0.00 -0.42 1.25 -1.08 0.00 0.00 179.45 178.77 1okd h HIS 103 N 0.00 0.00 -0.36 -1.35 2.76 -0.25 -3.08 115.15 112.87 1okd h HIS 103 Ca 0.14 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1okd h HIS 103 Cb 0.56 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.52 1okd h HIS 103 CO 0.00 0.42 0.00 1.19 -1.30 0.00 0.00 177.93 178.24 1okd n PHE 104 N -3.27 0.48 -2.82 5.26 3.01 0.64 -4.90 117.46 115.86 1okd n PHE 104 Ca 0.02 -0.24 -0.11 0.00 1.01 0.00 0.00 57.45 58.13 1okd n PHE 104 Cb 0.66 -0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.12 1okd n PHE 104 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1okd n ASN 105 N 0.55 -2.19 -4.53 4.37 6.94 -1.05 -4.73 115.26 114.63 1okd n ASN 105 Ca 0.12 0.12 -0.39 0.00 -0.02 0.00 0.00 54.58 54.41 1okd n ASN 105 Cb 0.30 -1.93 -0.07 0.00 -2.36 0.00 0.00 39.78 35.73 1okd n ASN 105 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1okd n VAL 106 N -3.08 -0.02 -0.30 3.53 0.31 -1.21 -4.79 118.33 112.76 1okd n VAL 106 Ca -0.03 -0.52 0.01 0.00 -0.01 0.00 0.00 64.34 63.80 1okd n VAL 106 Cb 0.53 -2.04 0.15 0.00 -0.91 0.00 0.00 33.84 31.56 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 16.67 0.88 -1.03 5.55 5.08 -1.95 -3.46 114.58 136.32 1okd h GLU 107 Ca -0.20 -0.05 0.29 0.00 -1.00 0.00 0.00 59.36 58.40 1okd h GLU 107 Cb 1.29 -0.20 -0.25 0.00 0.50 0.00 0.00 28.75 30.09 1okd h GLU 107 CO 1.20 0.58 0.99 -1.12 -1.00 0.00 0.00 179.01 179.66 1okd s SER 108 N -5.71 -0.01 0.42 1.42 0.01 -1.26 -5.17 113.70 103.39 1okd s SER 108 Ca -0.13 0.01 -0.07 0.00 1.31 0.00 0.00 55.95 57.07 1okd s SER 108 Cb 0.19 0.01 -0.05 0.00 0.21 0.00 0.00 66.02 66.38 1okd s SER 108 CO 0.79 -0.01 0.74 0.27 0.41 0.00 0.00 173.24 175.44 1okd s ILE 109 N -1.46 4.88 0.61 1.44 -0.00 -1.26 -4.37 121.20 121.03 1okd s ILE 109 Ca 0.11 0.34 -0.13 0.00 -0.00 0.00 0.00 60.65 60.96 1okd s ILE 109 Cb -0.01 -3.79 -0.04 0.00 -0.00 0.00 0.00 42.46 38.62 1okd s ILE 109 CO -0.06 -0.64 1.03 -2.16 -0.00 0.00 0.00 174.94 173.12 1okd s PRO 110 N -4.20 3.46 0.20 0.37 0.04 -1.26 -4.95 135.00 128.65 1okd s PRO 110 Ca 0.48 0.95 -0.13 0.00 0.04 0.00 0.00 61.00 62.35 1okd s PRO 110 Cb -0.10 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1okd s PRO 110 CO 0.37 -0.68 0.42 -0.08 0.04 0.00 0.00 177.00 177.07 1okd s THR 111 N -2.85 0.03 -0.12 1.26 -1.32 -0.84 -5.01 115.64 106.79 1okd s THR 111 Ca 0.59 -1.21 -0.06 0.00 -1.21 0.00 0.00 61.69 59.80 1okd s THR 111 Cb -0.13 -1.87 0.05 0.00 -1.51 0.00 0.00 72.50 69.04 1okd s THR 111 CO 0.45 -0.15 0.27 -0.22 -2.21 0.00 0.00 174.62 172.76 1okd s LEU 112 N -2.95 0.20 0.06 9.08 2.96 -1.26 -1.58 118.68 125.19 1okd s LEU 112 Ca 0.16 0.59 0.02 0.00 -0.22 0.00 0.00 54.13 54.67 1okd s LEU 112 Cb 0.01 0.81 -0.03 0.00 0.50 0.00 0.00 46.19 47.47 1okd s LEU 112 CO 0.02 -0.18 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.17 1okd s ILE 113 N 1.52 0.54 -0.04 6.68 1.01 -0.94 0.24 121.20 130.21 1okd s ILE 113 Ca -0.07 -1.49 0.04 0.00 0.00 0.00 0.00 60.65 59.13 1okd s ILE 113 Cb -0.10 -1.11 -0.00 0.00 0.01 0.00 0.00 42.46 41.25 1okd s ILE 113 CO -0.09 -0.65 -0.17 -0.83 0.00 0.00 0.00 174.94 173.20 1okd s GLY 114 N -2.30 0.90 0.17 6.18 0.00 -1.26 0.92 107.32 111.94 1okd s GLY 114 Ca 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 44.72 44.06 1okd s GLY 114 CO -0.03 -0.37 -0.03 -1.34 0.00 0.00 0.00 173.10 171.33 1okd s VAL 115 N -0.00 0.87 -0.34 1.40 -7.23 -0.89 -0.82 120.40 113.39 1okd s VAL 115 Ca -0.03 -2.01 -0.11 0.00 -1.81 0.00 0.00 61.98 58.03 1okd s VAL 115 Cb -0.11 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.79 1okd s VAL 115 CO 0.02 -0.56 0.19 1.51 -0.31 0.00 0.00 175.10 175.95 1okd s ASP 116 N -3.18 5.71 0.34 4.85 1.47 -1.26 -1.19 116.67 123.41 1okd s ASP 116 Ca 0.22 -0.66 0.03 0.00 1.18 0.00 0.00 52.55 53.32 1okd s ASP 116 Cb 0.05 -2.04 0.61 0.00 -0.34 0.00 0.00 42.92 41.20 1okd s ASP 116 CO 0.03 -0.27 1.92 0.00 0.68 0.00 0.00 175.17 177.53 1okd h ALA 117 N 8.41 1.42 0.35 2.11 0.00 -1.45 1.05 119.26 131.16 1okd h ALA 117 Ca -0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1okd h ALA 117 Cb 1.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1okd h ALA 117 CO 0.64 0.43 -0.36 0.22 0.00 0.00 0.00 179.25 180.18 1okd h ASP 118 N 0.62 -0.98 0.17 0.00 3.58 -1.82 -3.29 116.42 114.69 1okd h ASP 118 Ca 0.15 0.08 -0.23 0.00 0.42 0.00 0.00 57.03 57.45 1okd h ASP 118 Cb 0.20 0.33 0.02 0.00 1.72 0.00 0.00 39.33 41.59 1okd h ASP 118 CO -0.01 -0.47 -1.02 0.77 -2.88 0.00 0.00 179.24 175.63 1okd h SER 119 N -0.71 0.55 0.00 2.28 4.64 -1.94 -3.35 113.55 115.02 1okd h SER 119 Ca -0.04 -0.94 0.00 0.00 -0.47 0.00 0.00 61.79 60.34 1okd h SER 119 Cb 0.62 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1okd h SER 119 CO -0.05 1.49 0.00 0.61 -0.87 0.00 0.00 176.83 178.01 1okd n GLY 120 N 1.69 3.02 3.72 -0.77 0.00 0.36 -1.96 105.19 111.25 1okd n GLY 120 Ca -0.16 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 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 0.50 3.81 -4.64 1.61 9.92 -1.26 -3.62 116.55 122.87 1okd n ASP 121 Ca 0.00 1.09 -0.46 0.00 -0.53 0.00 0.00 54.79 54.89 1okd n ASP 121 Cb 0.00 -1.56 -0.04 0.00 -0.64 0.00 0.00 41.12 38.88 1okd n ASP 121 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1okd n VAL 122 N 3.32 0.57 0.04 2.53 0.31 -1.26 -4.08 118.33 119.76 1okd n VAL 122 Ca 0.14 -0.18 -0.20 0.00 -0.01 0.00 0.00 64.34 64.09 1okd n VAL 122 Cb 0.35 -2.08 -0.14 0.00 -0.91 0.00 0.00 33.84 31.05 1okd n VAL 122 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1okd h VAL 123 N 5.91 0.89 -3.04 2.52 2.07 -1.89 -3.48 116.25 119.23 1okd h VAL 123 Ca -0.46 -2.55 -0.42 0.00 0.82 0.00 0.00 66.70 64.09 1okd h VAL 123 Cb 1.26 2.65 -0.14 0.00 -1.52 0.00 0.00 31.29 33.54 1okd h VAL 123 CO 0.95 0.83 -0.68 0.42 0.02 0.00 0.00 177.57 179.11 1okd s THR 124 N -2.58 1.36 -0.27 2.57 -4.23 -0.00 -3.56 115.64 108.93 1okd s THR 124 Ca -0.15 -2.09 0.12 0.00 -1.18 0.00 0.00 61.69 58.39 1okd s THR 124 Cb 0.06 -2.26 0.36 0.00 1.34 0.00 0.00 72.50 72.00 1okd s THR 124 CO 0.83 -0.42 1.41 0.35 -0.54 0.00 0.00 174.62 176.24 1okd n THR 125 N -0.43 0.13 0.00 3.99 -2.24 -1.26 -4.17 114.28 110.29 1okd n THR 125 Ca -0.06 -1.04 0.00 0.00 -2.27 0.00 0.00 64.05 60.68 1okd n THR 125 Cb 0.63 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 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 -1.17 0.00 0.00 -0.78 -4.01 -1.25 -5.00 116.66 104.46 1okd n ARG 126 Ca -0.16 0.00 0.12 0.00 -1.04 0.00 0.00 57.85 56.77 1okd n ARG 126 Cb 0.85 0.00 0.67 0.00 -3.04 0.00 0.00 32.46 30.94 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 0.00 2.31 -0.32 2.89 0.00 0.65 -3.40 120.51 122.65 1okd n ALA 127 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 53.44 53.27 1okd n ALA 127 Cb 0.00 -1.41 0.08 0.00 0.00 0.00 0.00 19.45 18.12 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 1.19 0.00 0.00 -0.00 -1.89 -1.16 114.38 112.52 1okd h ARG 128 Ca 0.00 -0.13 -0.02 0.00 -0.00 0.00 0.00 59.98 59.83 1okd h ARG 128 Cb 0.17 -0.24 -0.00 0.00 -0.00 0.00 0.00 29.97 29.89 1okd h ARG 128 CO 0.00 0.86 -0.32 0.00 -0.00 0.00 0.00 179.97 180.51 1okd h ALA 129 N 1.26 0.03 -0.47 0.08 0.00 -1.91 -3.36 119.26 114.88 1okd h ALA 129 Ca 0.30 -0.36 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1okd h ALA 129 Cb 0.01 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 1okd h ALA 129 CO -0.05 0.27 -0.03 1.79 0.00 0.00 0.00 179.25 181.22 1okd h THR 130 N -1.00 0.60 -0.86 0.00 1.35 -1.65 0.76 112.91 112.10 1okd h THR 130 Ca -0.03 -0.03 0.20 0.00 -0.55 0.00 0.00 66.41 66.00 1okd h THR 130 Cb 0.42 0.51 -0.06 0.00 -1.73 0.00 0.00 68.15 67.30 1okd h THR 130 CO -0.02 0.01 0.58 0.25 -0.25 0.00 0.00 175.52 176.09 1okd h LEU 131 N 0.08 0.33 0.11 3.87 5.85 -1.42 0.95 115.31 125.09 1okd h LEU 131 Ca 0.24 0.03 -0.36 0.00 0.84 0.00 0.00 57.88 58.63 1okd h LEU 131 Cb 0.36 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1okd h LEU 131 CO -0.42 0.14 -1.95 0.52 -0.34 0.00 0.00 178.44 176.38 1okd n VAL 132 N -4.47 1.77 -0.60 1.05 0.31 -0.18 -4.25 118.33 111.97 1okd n VAL 132 Ca 0.18 -0.68 0.06 0.00 -0.01 0.00 0.00 64.34 63.90 1okd n VAL 132 Cb 0.70 -1.66 0.35 0.00 -0.91 0.00 0.00 33.84 32.32 1okd n VAL 132 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1okd n LYS 133 N -3.44 4.25 -3.45 5.55 5.02 0.25 -4.59 118.16 121.75 1okd n LYS 133 Ca -0.30 -2.71 -0.26 0.00 -2.02 0.00 0.00 58.31 53.02 1okd n LYS 133 Cb 1.05 -2.12 -0.09 0.00 -0.02 0.00 0.00 35.03 33.85 1okd n LYS 133 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1okd n ASP 134 N 0.61 2.32 -0.54 4.39 9.92 0.32 -4.89 116.55 128.68 1okd n ASP 134 Ca 0.24 -3.11 0.02 0.00 -0.53 0.00 0.00 54.79 51.41 1okd n ASP 134 Cb 1.04 -0.67 0.08 0.00 -0.64 0.00 0.00 41.12 40.93 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 1.39 1.63 -0.02 -0.24 -0.04 -1.26 -3.58 135.00 132.88 1okd n PRO 135 Ca 0.26 -0.67 -0.01 0.00 -0.04 0.00 0.00 63.50 63.04 1okd n PRO 135 Cb 0.43 -1.38 -0.05 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.07 2.17 -1.54 0.54 -0.58 -1.26 -4.99 120.64 115.04 1okd n GLU 136 Ca 0.06 -0.02 -0.18 0.00 -0.42 0.00 0.00 57.16 56.60 1okd n GLU 136 Cb 0.29 -1.15 -0.08 0.00 -0.57 0.00 0.00 31.44 29.94 1okd n GLU 136 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1okd n GLY 137 N 2.49 1.67 0.15 0.62 0.00 -1.23 -4.80 105.19 104.09 1okd n GLY 137 Ca -0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.07 1okd n GLY 137 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1okd h GLU 138 N 0.00 0.00 0.00 1.61 4.11 -1.94 -3.00 114.58 115.36 1okd h GLU 138 Ca -0.37 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.00 1okd h GLU 138 Cb 1.18 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.30 1okd h GLU 138 CO 0.54 0.00 -0.62 1.04 0.07 0.00 0.00 179.01 180.04 1okd n GLN 139 N -2.30 0.00 0.00 1.06 6.02 -1.26 -5.00 117.38 115.89 1okd n GLN 139 Ca 0.01 -1.23 0.00 0.00 -0.01 0.00 0.00 57.00 55.77 1okd n GLN 139 Cb 0.17 -0.27 0.00 0.00 1.02 0.00 0.00 30.24 31.16 1okd n GLN 139 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1okd n PHE 140 N 0.15 0.00 0.00 1.08 7.35 -1.14 0.45 117.46 125.36 1okd n PHE 140 Ca 0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 1okd n PHE 140 Cb 0.82 -0.37 0.00 0.00 0.35 0.00 0.00 39.48 40.28 1okd n PHE 140 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1okd n PRO 141 N -3.00 0.00 -0.84 -7.13 -0.04 -1.26 -4.77 135.00 117.96 1okd n PRO 141 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1okd n PRO 141 Cb 0.00 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 -0.68 0.00 -1.13 0.54 8.01 1.60 -4.52 117.44 121.26 1okd n TRP 142 Ca 0.00 0.00 -0.30 0.00 -1.31 0.00 0.00 57.50 55.89 1okd n TRP 142 Cb 0.00 0.00 0.25 0.00 -2.01 0.00 0.00 31.31 29.55 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 -0.83 -1.40 0.00 -0.99 0.00 -1.26 -4.56 119.74 110.70 1okd s LYS 143 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 55.97 55.77 1okd s LYS 143 Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 37.83 36.24 1okd s LYS 143 CO 0.00 -3.81 0.00 -3.47 0.00 0.00 0.00 175.35 168.07 1okd n ASP 144 N -4.80 0.00 0.03 0.03 -0.08 -1.23 -4.96 116.55 105.54 1okd n ASP 144 Ca 0.15 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.43 1okd n ASP 144 Cb 0.60 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.06 1okd n ASP 144 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1okd n ALA 145 N 0.67 1.99 -0.83 -1.67 0.00 -1.26 -4.90 120.51 114.51 1okd n ALA 145 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1okd n ALA 145 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.66 1.68 -1.55 0.00 -0.04 -1.26 -4.89 135.00 126.28 1okd n PRO 146 Ca 0.00 -1.52 -0.46 0.00 -0.04 0.00 0.00 63.50 61.47 1okd n PRO 146 Cb 0.00 -2.59 -0.05 0.00 -0.04 0.00 0.00 33.50 30.82 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 5.57 2.88 -0.18 1.53 4.32 -1.26 -1.04 117.00 128.82 1okd n LEU 147 Ca 0.43 0.37 -0.02 0.00 -0.02 0.00 0.00 56.01 56.77 1okd n LEU 147 Cb 0.23 -1.43 -0.01 0.00 -1.62 0.00 0.00 43.42 40.59 1okd n LEU 147 CO 0.82 -0.62 -0.02 -0.62 -1.22 0.00 0.00 177.39 175.73 1okd n GLU 148 N 8.32 -1.78 0.00 3.23 -0.58 -1.26 -5.28 120.64 123.30 1okd n GLU 148 Ca 0.33 0.55 0.00 0.00 -0.42 0.00 0.00 57.16 57.62 1okd n GLU 148 Cb 0.35 -4.92 0.00 0.00 -0.57 0.00 0.00 31.44 26.30 1okd n GLU 148 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23