#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fka h THR 3 N 0.00 1.01 -0.52 4.28 1.03 -2.05 -0.78 112.91 115.87 3fka h THR 3 Ca 0.00 -0.34 -0.06 0.00 -0.01 0.00 0.00 66.41 66.01 3fka h THR 3 Cb 0.00 -0.06 -0.02 0.00 -1.07 0.00 0.00 68.15 67.00 3fka h THR 3 CO 0.00 0.18 0.10 0.28 -0.01 0.00 0.00 175.52 176.07 3fka h SER 4 N 0.98 0.81 -0.49 0.00 0.02 -2.05 -2.68 113.55 110.15 3fka h SER 4 Ca 0.41 -0.25 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 3fka h SER 4 Cb 0.25 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 3fka h SER 4 CO -0.20 0.85 0.15 -0.33 -1.14 0.00 0.00 176.83 176.16 3fka h GLU 5 N 0.74 0.82 -0.50 3.45 5.08 -1.82 -1.16 114.58 121.19 3fka h GLU 5 Ca 0.16 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3fka h GLU 5 Cb 0.37 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3fka h GLU 5 CO 0.01 0.72 0.11 0.45 -1.00 0.00 0.00 179.01 179.30 3fka h HIS 6 N 0.79 0.84 -0.40 4.33 3.86 -0.96 0.89 115.15 124.50 3fka h HIS 6 Ca 0.18 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3fka h HIS 6 Cb 0.26 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 3fka h HIS 6 CO 0.02 0.76 0.21 0.82 0.86 0.00 0.00 177.93 180.60 3fka h ILE 7 N 0.68 1.16 -0.56 2.45 1.08 -1.22 -1.49 117.51 119.62 3fka h ILE 7 Ca 0.15 -0.42 0.02 0.00 -0.39 0.00 0.00 64.86 64.23 3fka h ILE 7 Cb 0.35 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.76 3fka h ILE 7 CO 0.00 0.17 0.34 0.00 -0.69 0.00 0.00 178.15 177.97 3fka h ALA 8 N 1.07 0.72 -0.82 1.87 0.00 -1.04 -1.44 119.26 119.62 3fka h ALA 8 Ca 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3fka h ALA 8 Cb 0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3fka h ALA 8 CO -0.02 0.07 0.51 0.00 0.00 0.00 0.00 179.25 179.81 3fka h ALA 9 N 1.24 1.35 -0.31 0.00 0.00 -0.42 -0.88 119.26 120.23 3fka h ALA 9 Ca 0.22 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3fka h ALA 9 Cb 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3fka h ALA 9 CO -0.09 0.57 -0.29 -0.07 0.00 0.00 0.00 179.25 179.38 3fka h LEU 10 N 1.13 0.80 -0.76 0.00 3.38 -0.87 -0.96 115.31 118.03 3fka h LEU 10 Ca 0.30 -0.46 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 3fka h LEU 10 Cb -0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3fka h LEU 10 CO -0.06 1.09 -0.47 0.71 0.09 0.00 0.00 178.44 179.81 3fka h THR 11 N 0.51 1.33 -0.81 0.22 1.35 -1.07 -2.39 112.91 112.05 3fka h THR 11 Ca 0.05 -1.67 -0.04 0.00 -0.55 0.00 0.00 66.41 64.20 3fka h THR 11 Cb 0.86 1.73 -0.04 0.00 -1.73 0.00 0.00 68.15 68.97 3fka h THR 11 CO 0.07 0.51 0.33 0.00 -0.25 0.00 0.00 175.52 176.18 3fka h ALA 12 N 1.22 1.06 -0.70 6.62 0.00 -1.10 -2.17 119.26 124.19 3fka h ALA 12 Ca 0.02 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.76 3fka h ALA 12 Cb 0.93 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3fka h ALA 12 CO 0.08 0.67 0.44 1.25 0.00 0.00 0.00 179.25 181.69 3fka h LEU 13 N 1.17 0.73 -0.28 0.00 5.85 -0.80 -0.63 115.31 121.35 3fka h LEU 13 Ca 0.27 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 3fka h LEU 13 Cb 0.20 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3fka h LEU 13 CO -0.02 0.51 0.16 0.58 -0.34 0.00 0.00 178.44 179.33 3fka h VAL 14 N 0.87 1.11 -0.59 1.05 2.07 -1.09 -0.59 116.25 119.08 3fka h VAL 14 Ca 0.28 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.57 3fka h VAL 14 Cb 0.00 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 3fka h VAL 14 CO -0.10 0.11 0.34 -0.33 0.02 0.00 0.00 177.57 177.61 3fka h GLU 15 N 0.35 0.63 -0.46 1.57 3.07 -1.05 -0.82 114.58 117.86 3fka h GLU 15 Ca 0.10 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.89 3fka h GLU 15 Cb 0.03 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.78 3fka h GLU 15 CO -0.02 0.42 0.16 1.15 -1.40 0.00 0.00 179.01 179.32 3fka h THR 16 N 0.65 1.22 -0.24 1.13 2.02 -0.84 -3.19 112.91 113.66 3fka h THR 16 Ca 0.25 -0.70 -0.14 0.00 0.77 0.00 0.00 66.41 66.59 3fka h THR 16 Cb 0.10 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3fka h THR 16 CO -0.14 0.25 -0.42 0.10 0.37 0.00 0.00 175.52 175.69 3fka h TYR 17 N 0.60 0.88 0.00 3.16 -0.00 -0.75 -0.20 116.97 120.66 3fka h TYR 17 Ca 0.15 -0.31 0.00 0.00 0.00 0.00 0.00 58.73 58.57 3fka h TYR 17 Cb 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 36.73 36.80 3fka h TYR 17 CO 0.01 1.08 0.00 0.28 -0.00 0.00 0.00 178.16 179.53 3fka n VAL 18 N -4.19 0.00 -0.79 -0.90 0.31 -0.35 -4.61 118.33 107.81 3fka n VAL 18 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 3fka n VAL 18 Cb 0.55 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 3fka n VAL 18 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fka n ALA 20 N 0.08 -0.18 0.00 3.52 0.00 -0.09 -4.69 120.51 119.15 3fka n ALA 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3fka n ALA 20 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.31 3fka n ALA 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3fka n THR 22 N -0.64 0.00 0.82 0.00 -1.04 -1.26 -0.82 114.28 111.33 3fka n THR 22 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.14 3fka n THR 22 Cb 0.09 0.00 0.35 0.00 -1.82 0.00 0.00 70.33 68.95 3fka n THR 22 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3fka n ARG 23 N 0.00 0.13 -3.19 -2.82 5.12 -1.26 -1.03 116.66 113.61 3fka n ARG 23 Ca 0.00 0.06 -0.15 0.00 -1.93 0.00 0.00 57.85 55.83 3fka n ARG 23 Cb 0.00 -1.60 0.06 0.00 -1.16 0.00 0.00 32.46 29.75 3fka n ARG 23 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3fka n GLY 24 N 1.42 -0.11 3.47 -0.13 0.00 0.00 -4.62 105.19 105.23 3fka n GLY 24 Ca 0.05 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 3fka n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fka s ASP 25 N -3.45 6.50 0.10 1.61 -1.08 -0.18 -4.68 116.67 115.48 3fka s ASP 25 Ca 0.28 -1.69 -0.22 0.00 -0.52 0.00 0.00 52.55 50.40 3fka s ASP 25 Cb -0.12 -2.44 -0.12 0.00 -1.46 0.00 0.00 42.92 38.78 3fka s ASP 25 CO 0.51 -1.23 1.72 -0.09 0.52 0.00 0.00 175.17 176.59 3fka h ARG 26 N 9.18 0.13 -0.62 4.34 2.43 -1.92 -2.12 114.38 125.78 3fka h ARG 26 Ca 0.06 -0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.34 3fka h ARG 26 Cb 1.03 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.47 3fka h ARG 26 CO 1.18 0.13 0.14 -1.35 -1.51 0.00 0.00 179.97 178.56 3fka h PRO 27 N 0.09 0.26 -0.22 0.20 0.11 -1.99 0.13 132.00 130.58 3fka h PRO 27 Ca 0.03 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 3fka h PRO 27 Cb 0.03 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 3fka h PRO 27 CO -0.01 0.17 0.12 0.00 -0.21 0.00 0.00 178.00 178.08 3fka h ALA 28 N 1.49 0.28 -0.59 -0.75 0.00 -1.96 -1.44 119.26 116.30 3fka h ALA 28 Ca 0.33 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3fka h ALA 28 Cb 0.49 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3fka h ALA 28 CO -0.41 -0.19 0.14 -0.07 0.00 0.00 0.00 179.25 178.71 3fka h LEU 29 N 0.24 0.86 -1.13 0.00 3.38 -0.91 -1.86 115.31 115.89 3fka h LEU 29 Ca 0.08 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3fka h LEU 29 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3fka h LEU 29 CO -0.01 0.84 -0.42 -0.33 0.09 0.00 0.00 178.44 178.61 3fka h GLU 30 N 0.87 0.00 -0.11 1.13 5.08 -0.55 -1.77 114.58 119.22 3fka h GLU 30 Ca 0.19 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 3fka h GLU 30 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3fka h GLU 30 CO 0.00 0.42 -0.39 -0.09 -1.00 0.00 0.00 179.01 177.95 3fka h ARG 31 N 0.00 0.47 0.00 2.33 2.43 -0.69 -3.36 114.38 115.56 3fka h ARG 31 Ca -0.00 -0.35 -0.02 0.00 -0.81 0.00 0.00 59.98 58.80 3fka h ARG 31 Cb 0.78 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.39 3fka h ARG 31 CO 0.05 0.97 -0.43 -0.84 -1.51 0.00 0.00 179.97 178.22 3fka h ILE 32 N 0.05 0.11 -3.55 1.20 3.07 -1.31 -3.45 117.51 113.63 3fka h ILE 32 Ca -0.02 -1.17 -0.67 0.00 1.55 0.00 0.00 64.86 64.55 3fka h ILE 32 Cb 1.02 1.89 -0.20 0.00 -0.27 0.00 0.00 36.82 39.26 3fka h ILE 32 CO 0.08 0.06 -0.69 -0.36 -1.05 0.00 0.00 178.15 176.20 3fka s PHE 33 N -3.22 2.96 0.62 0.16 0.40 -0.67 -0.00 117.98 118.23 3fka s PHE 33 Ca 0.04 -0.07 -0.18 0.00 -0.60 0.00 0.00 56.93 56.12 3fka s PHE 33 Cb 0.07 -1.77 -0.02 0.00 0.51 0.00 0.00 43.02 41.80 3fka s PHE 33 CO 0.72 0.24 1.22 -0.06 0.70 0.00 0.00 175.22 178.04 3fka s PHE 34 N -0.51 2.32 0.41 0.36 0.08 -0.46 -4.70 117.98 115.47 3fka s PHE 34 Ca 0.08 1.52 0.08 0.00 0.12 0.00 0.00 56.93 58.72 3fka s PHE 34 Cb -0.12 -3.50 0.87 0.00 -0.57 0.00 0.00 43.02 39.70 3fka s PHE 34 CO 0.02 -2.34 2.05 0.78 -0.10 0.00 0.00 175.22 175.63 3fka h GLY 35 N 0.70 0.53 -0.44 4.36 0.00 -1.90 -1.20 103.07 105.12 3fka h GLY 35 Ca -0.50 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.62 3fka h GLY 35 CO 0.54 0.20 0.00 0.28 0.00 0.00 0.00 176.54 177.56 3fka n LYS 36 N -4.47 1.51 -1.57 4.80 5.02 -1.26 -4.25 118.16 117.93 3fka n LYS 36 Ca 0.03 -0.76 -0.34 0.00 -2.02 0.00 0.00 58.31 55.21 3fka n LYS 36 Cb 0.07 -1.34 0.07 0.00 -0.02 0.00 0.00 35.03 33.82 3fka n LYS 36 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fka s ALA 37 N -1.84 2.26 0.09 7.82 0.00 -0.46 -4.90 121.76 124.73 3fka s ALA 37 Ca 0.29 0.77 0.09 0.00 0.00 0.00 0.00 51.96 53.11 3fka s ALA 37 Cb 0.15 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 3fka s ALA 37 CO 0.23 -1.63 -0.23 -1.54 0.00 0.00 0.00 175.76 172.59 3fka s SER 38 N -2.19 2.80 -0.19 0.00 1.04 -1.20 -2.29 113.70 111.66 3fka s SER 38 Ca 0.72 -0.66 0.01 0.00 0.48 0.00 0.00 55.95 56.50 3fka s SER 38 Cb -0.26 -0.19 0.03 0.00 0.10 0.00 0.00 66.02 65.70 3fka s SER 38 CO 0.43 0.13 -0.17 -0.70 0.98 0.00 0.00 173.24 173.91 3fka s GLU 39 N -1.75 2.72 -0.03 4.02 2.12 -0.39 -1.04 118.70 124.34 3fka s GLU 39 Ca 0.09 -0.89 0.03 0.00 0.36 0.00 0.00 54.97 54.55 3fka s GLU 39 Cb -0.10 -2.57 0.00 0.00 0.26 0.00 0.00 34.13 31.73 3fka s GLU 39 CO 0.04 -0.29 -0.10 0.08 -0.54 0.00 0.00 175.26 174.44 3fka s VAL 40 N 1.28 0.90 0.00 3.70 1.01 0.03 -0.83 120.40 126.49 3fka s VAL 40 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3fka s VAL 40 Cb -0.14 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.45 3fka s VAL 40 CO -0.11 0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.87 3fka n GLY 41 N 3.26 0.23 3.75 4.51 0.00 -0.79 -1.33 105.19 114.83 3fka n GLY 41 Ca -0.18 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.61 3fka n GLY 41 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fka s HIS 42 N -2.00 3.65 -0.06 1.61 3.76 -1.26 -0.45 115.29 120.54 3fka s HIS 42 Ca 0.00 1.15 -0.02 0.00 -0.15 0.00 0.00 55.06 56.04 3fka s HIS 42 Cb 0.00 -2.61 0.03 0.00 1.11 0.00 0.00 32.58 31.11 3fka s HIS 42 CO 0.00 0.31 0.04 -0.47 -0.85 0.00 0.00 174.74 173.77 3fka s TYR 43 N -0.01 0.27 -1.34 1.40 5.04 0.17 -4.66 117.35 118.22 3fka s TYR 43 Ca 0.31 0.08 -0.12 0.00 -2.44 0.00 0.00 57.07 54.89 3fka s TYR 43 Cb -0.18 -0.60 0.01 0.00 0.35 0.00 0.00 41.96 41.54 3fka s TYR 43 CO 0.16 -0.26 0.45 -0.85 -1.34 0.00 0.00 175.55 173.72 3fka n GLU 44 N 5.25 -1.61 -0.62 4.97 0.28 -1.26 -2.21 120.64 125.44 3fka n GLU 44 Ca -0.05 0.26 0.00 0.00 -0.16 0.00 0.00 57.16 57.22 3fka n GLU 44 Cb 0.50 -3.75 0.00 0.00 1.43 0.00 0.00 31.44 29.61 3fka n GLU 44 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3fka n GLY 45 N -2.10 1.47 3.40 -1.84 0.00 -1.26 -5.02 105.19 99.85 3fka n GLY 45 Ca -0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 3fka n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fka s GLU 46 N -0.08 1.46 -0.11 1.61 2.02 -0.94 -5.10 118.70 117.56 3fka s GLU 46 Ca 0.00 -1.54 -0.29 0.00 0.02 0.00 0.00 54.97 53.16 3fka s GLU 46 Cb 0.00 -1.61 -0.01 0.00 0.10 0.00 0.00 34.13 32.61 3fka s GLU 46 CO 0.00 0.33 0.99 -1.17 0.02 0.00 0.00 175.26 175.43 3fka s LEU 47 N -2.87 4.24 -0.21 1.80 2.96 -1.26 -0.66 118.68 122.68 3fka s LEU 47 Ca 0.21 1.50 -0.03 0.00 -0.22 0.00 0.00 54.13 55.59 3fka s LEU 47 Cb -0.06 -3.53 -0.00 0.00 0.50 0.00 0.00 46.19 43.09 3fka s LEU 47 CO 0.10 -0.45 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.39 3fka s LEU 48 N 2.03 2.79 -0.38 -0.68 2.96 0.41 -4.94 118.68 120.87 3fka s LEU 48 Ca 0.47 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 54.00 3fka s LEU 48 Cb -0.18 -1.70 0.11 0.00 0.50 0.00 0.00 46.19 44.91 3fka s LEU 48 CO 0.17 -0.01 0.09 0.86 -1.32 0.00 0.00 176.35 176.14 3fka s TRP 49 N 1.44 3.66 -0.03 5.38 -0.11 -1.26 -1.88 118.94 126.14 3fka s TRP 49 Ca 0.05 -3.02 -0.07 0.00 1.22 0.00 0.00 56.10 54.28 3fka s TRP 49 Cb -0.14 -2.92 -0.04 0.00 -1.50 0.00 0.00 33.47 28.86 3fka s TRP 49 CO -0.05 -0.91 0.23 -0.80 -4.62 0.00 0.00 176.95 170.80 3fka s ASN 50 N 0.71 6.47 0.82 5.86 0.01 -0.01 -4.96 114.94 123.84 3fka s ASN 50 Ca 0.12 0.53 -0.12 0.00 -0.71 0.00 0.00 52.86 52.68 3fka s ASN 50 Cb -0.20 -2.08 0.08 0.00 0.41 0.00 0.00 41.25 39.46 3fka s ASN 50 CO -0.06 0.30 1.15 -0.94 -1.51 0.00 0.00 177.10 176.04 3fka s SER 51 N -1.53 4.39 0.18 -1.22 1.04 -1.26 -1.27 113.70 114.04 3fka s SER 51 Ca 0.24 0.90 -0.13 0.00 0.48 0.00 0.00 55.95 57.44 3fka s SER 51 Cb -0.13 -1.46 0.16 0.00 0.10 0.00 0.00 66.02 64.69 3fka s SER 51 CO 0.13 -1.99 1.76 -0.09 0.98 0.00 0.00 173.24 174.03 3fka h ARG 52 N -1.11 0.38 -0.65 4.02 2.43 -1.63 -0.55 114.38 117.26 3fka h ARG 52 Ca -0.47 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 58.71 3fka h ARG 52 Cb 1.32 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.74 3fka h ARG 52 CO 0.64 0.25 0.40 0.22 -1.51 0.00 0.00 179.97 179.97 3fka h ASP 53 N 0.39 0.64 -0.70 -3.80 3.58 -1.90 0.11 116.42 114.74 3fka h ASP 53 Ca 0.23 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.62 3fka h ASP 53 Cb 0.22 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 3fka h ASP 53 CO -0.22 0.44 0.19 0.00 -2.88 0.00 0.00 179.24 176.77 3fka h ALA 54 N 1.29 0.92 -0.08 -0.78 0.00 -1.82 0.23 119.26 119.02 3fka h ALA 54 Ca 0.26 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3fka h ALA 54 Cb 0.04 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3fka h ALA 54 CO -0.11 0.63 0.03 0.35 0.00 0.00 0.00 179.25 180.15 3fka h PHE 55 N 1.05 0.12 -0.62 0.00 3.57 -0.67 -3.07 116.94 117.32 3fka h PHE 55 Ca 0.22 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.72 3fka h PHE 55 Cb 0.35 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 3fka h PHE 55 CO 0.03 0.24 0.41 0.82 -2.23 0.00 0.00 178.31 177.58 3fka h ILE 56 N -0.04 1.16 0.00 1.41 2.04 -0.64 -2.40 117.51 119.05 3fka h ILE 56 Ca 0.03 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3fka h ILE 56 Cb 0.17 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3fka h ILE 56 CO -0.00 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.30 3fka n ALA 57 N -2.27 0.90 0.00 1.87 0.00 0.06 -1.27 120.51 119.80 3fka n ALA 57 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3fka n ALA 57 Cb 0.02 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3fka n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fka h GLU 60 N 0.00 0.63 -0.87 0.00 5.08 -1.46 0.17 114.58 118.13 3fka h GLU 60 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3fka h GLU 60 Cb 0.00 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 3fka h GLU 60 CO 0.00 0.45 0.55 -0.44 -1.00 0.00 0.00 179.01 178.57 3fka h ASP 61 N 0.63 1.02 -0.24 1.42 3.32 -1.39 -2.74 116.42 118.44 3fka h ASP 61 Ca 0.17 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3fka h ASP 61 Cb -0.03 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.27 3fka h ASP 61 CO -0.03 0.76 0.00 0.00 -1.72 0.00 0.00 179.24 178.24 3fka n ALA 62 N -2.40 2.47 -1.52 3.45 0.00 -1.08 -5.03 120.51 116.40 3fka n ALA 62 Ca 0.10 -0.77 -0.45 0.00 0.00 0.00 0.00 53.44 52.32 3fka n ALA 62 Cb 0.04 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 3fka n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fka n ALA 63 N 1.04 -1.14 -3.67 0.00 0.00 0.58 -5.01 120.51 112.31 3fka n ALA 63 Ca 0.18 0.37 -0.17 0.00 0.00 0.00 0.00 53.44 53.81 3fka n ALA 63 Cb 0.51 -1.87 -0.16 0.00 0.00 0.00 0.00 19.45 17.93 3fka n ALA 63 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3fka s ASP 64 N -0.74 0.82 0.11 0.00 2.15 -0.20 -5.00 116.67 113.81 3fka s ASP 64 Ca 0.61 0.28 0.27 0.00 0.43 0.00 0.00 52.55 54.14 3fka s ASP 64 Cb -0.75 0.19 0.99 0.00 -0.30 0.00 0.00 42.92 43.05 3fka s ASP 64 CO 0.59 -0.24 1.83 0.00 -0.17 0.00 0.00 175.17 177.17 3fka n ALA 65 N 5.31 2.35 -0.04 3.66 0.00 -1.26 -4.14 120.51 126.38 3fka n ALA 65 Ca -0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.29 3fka n ALA 65 Cb 0.50 -1.46 -0.08 0.00 0.00 0.00 0.00 19.45 18.41 3fka n ALA 65 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3fka n GLU 66 N -1.89 2.11 -2.01 0.00 0.28 -1.26 -5.04 120.64 112.84 3fka n GLU 66 Ca 0.06 -0.02 -0.41 0.00 -0.16 0.00 0.00 57.16 56.63 3fka n GLU 66 Cb 0.39 -1.26 -0.02 0.00 1.43 0.00 0.00 31.44 31.98 3fka n GLU 66 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 3fka s THR 67 N -2.30 2.60 -0.41 3.84 -1.32 -1.26 -4.98 115.64 111.80 3fka s THR 67 Ca -0.05 0.54 -0.17 0.00 -1.21 0.00 0.00 61.69 60.80 3fka s THR 67 Cb 0.03 -3.34 0.02 0.00 -1.51 0.00 0.00 72.50 67.70 3fka s THR 67 CO 0.42 0.10 0.43 1.51 -2.21 0.00 0.00 174.62 174.86 3fka s ASP 68 N 0.10 6.19 0.53 8.08 1.47 -1.26 -5.00 116.67 126.78 3fka s ASP 68 Ca 0.56 -0.63 -0.21 0.00 1.18 0.00 0.00 52.55 53.44 3fka s ASP 68 Cb -0.42 -2.22 -0.05 0.00 -0.34 0.00 0.00 42.92 39.89 3fka s ASP 68 CO 0.48 -0.55 1.25 -2.16 0.68 0.00 0.00 175.17 174.87 3fka s PRO 69 N 2.11 3.28 -0.26 2.11 0.04 -1.26 -5.01 135.00 136.01 3fka s PRO 69 Ca 0.12 1.97 -0.09 0.00 0.04 0.00 0.00 61.00 63.04 3fka s PRO 69 Cb -0.17 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 3fka s PRO 69 CO 0.13 -1.00 0.12 0.12 0.04 0.00 0.00 177.00 176.42 3fka s PHE 70 N -1.46 3.15 0.18 0.56 5.36 -1.26 -5.04 117.98 119.47 3fka s PHE 70 Ca 0.71 -0.16 -0.20 0.00 -0.96 0.00 0.00 56.93 56.31 3fka s PHE 70 Cb -0.34 -2.30 0.05 0.00 -0.34 0.00 0.00 43.02 40.09 3fka s PHE 70 CO 0.39 -0.25 0.57 1.67 -1.46 0.00 0.00 175.22 176.14 3fka s TRP 71 N 1.65 -0.33 -0.16 10.12 1.48 -1.26 -1.37 118.94 129.06 3fka s TRP 71 Ca 0.07 0.04 -0.24 0.00 -1.06 0.00 0.00 56.10 54.90 3fka s TRP 71 Cb -0.15 0.50 0.06 0.00 -1.16 0.00 0.00 33.47 32.72 3fka s TRP 71 CO 0.07 -0.91 0.62 0.00 -4.06 0.00 0.00 176.95 172.67 3fka s ALA 72 N -3.81 -1.55 -0.25 2.67 0.00 -0.15 -4.99 121.76 113.67 3fka s ALA 72 Ca 0.05 1.50 -0.16 0.00 0.00 0.00 0.00 51.96 53.34 3fka s ALA 72 Cb -0.01 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 3fka s ALA 72 CO -0.07 -0.32 0.44 0.42 0.00 0.00 0.00 175.76 176.23 3fka s ILE 73 N -0.30 5.13 -0.11 0.00 1.01 -1.26 0.21 121.20 125.88 3fka s ILE 73 Ca -0.05 0.75 -0.08 0.00 0.00 0.00 0.00 60.65 61.27 3fka s ILE 73 Cb -0.03 -3.77 -0.27 0.00 0.01 0.00 0.00 42.46 38.41 3fka s ILE 73 CO 0.04 0.15 0.41 0.28 0.00 0.00 0.00 174.94 175.82 3fka h SER 74 N 7.91 0.44 -5.02 3.58 0.02 -0.89 -3.48 113.55 116.12 3fka h SER 74 Ca -0.31 -0.95 -0.05 0.00 -0.84 0.00 0.00 61.79 59.63 3fka h SER 74 Cb 1.15 -0.14 -0.16 0.00 0.14 0.00 0.00 62.40 63.39 3fka h SER 74 CO 0.69 1.84 0.08 -0.94 -1.14 0.00 0.00 176.83 177.36 3fka s SER 75 N -7.08 -0.48 -0.03 3.07 1.04 -1.07 -4.97 113.70 104.18 3fka s SER 75 Ca -0.21 0.20 -0.00 0.00 0.48 0.00 0.00 55.95 56.41 3fka s SER 75 Cb 0.06 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.72 3fka s SER 75 CO 0.78 -0.75 0.01 -0.69 0.98 0.00 0.00 173.24 173.58 3fka s VAL 76 N -2.53 0.11 -0.02 5.02 1.01 -1.26 -0.90 120.40 121.82 3fka s VAL 76 Ca -0.05 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.14 3fka s VAL 76 Cb -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 36.13 3fka s VAL 76 CO -0.02 0.15 -0.16 -0.44 0.00 0.00 0.00 175.10 174.63 3fka s SER 77 N 1.27 1.87 -0.02 3.32 0.01 -1.26 -5.02 113.70 113.87 3fka s SER 77 Ca -0.06 -0.29 0.01 0.00 1.31 0.00 0.00 55.95 56.91 3fka s SER 77 Cb -0.13 -0.29 0.01 0.00 0.21 0.00 0.00 66.02 65.82 3fka s SER 77 CO -0.02 0.18 -0.02 -0.69 0.41 0.00 0.00 173.24 173.10 3fka s VAL 78 N -0.25 0.25 -0.21 3.43 1.01 -1.26 -4.27 120.40 119.09 3fka s VAL 78 Ca 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 3fka s VAL 78 Cb -0.07 -0.28 0.07 0.00 0.00 0.00 0.00 36.38 36.10 3fka s VAL 78 CO -0.00 0.12 0.09 -1.10 0.00 0.00 0.00 175.10 174.21 3fka s GLN 79 N 0.54 0.24 6.69 2.72 -1.52 -0.17 -5.02 119.66 123.14 3fka s GLN 79 Ca -0.05 -0.32 0.00 0.00 -1.95 0.00 0.00 55.36 53.03 3fka s GLN 79 Cb -0.09 -1.71 0.00 0.00 -0.22 0.00 0.00 33.01 30.99 3fka s GLN 79 CO -0.01 -0.78 0.00 0.41 -0.25 0.00 0.00 175.29 174.66 3fka n GLY 80 N 5.20 3.90 1.42 3.09 0.00 -1.26 -1.55 105.19 116.00 3fka n GLY 80 Ca -0.07 0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.14 3fka n GLY 80 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fka n ASP 81 N 7.06 4.19 -4.29 1.61 5.68 -1.26 -4.88 116.55 124.65 3fka n ASP 81 Ca 0.00 -2.50 -0.25 0.00 -0.50 0.00 0.00 54.79 51.54 3fka n ASP 81 Cb 0.00 -0.57 -0.13 0.00 -1.14 0.00 0.00 41.12 39.28 3fka n ASP 81 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 3fka s ILE 82 N -2.02 1.78 0.00 2.12 -4.36 -0.59 -0.74 121.20 117.38 3fka s ILE 82 Ca 0.41 -1.49 0.00 0.00 -0.26 0.00 0.00 60.65 59.31 3fka s ILE 82 Cb 0.29 -1.59 0.00 0.00 1.25 0.00 0.00 42.46 42.40 3fka s ILE 82 CO 0.16 0.02 0.00 0.00 0.24 0.00 0.00 174.94 175.37 3fka n ALA 83 N 1.24 0.00 -3.65 2.27 0.00 -0.27 -1.00 120.51 119.11 3fka n ALA 83 Ca -0.19 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.22 3fka n ALA 83 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 3fka n ALA 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fka s LEU 85 N 0.00 -0.05 -0.25 0.00 2.01 -0.08 -0.56 118.68 119.74 3fka s LEU 85 Ca 0.00 0.09 -0.02 0.00 0.01 0.00 0.00 54.13 54.21 3fka s LEU 85 Cb 0.00 1.11 0.03 0.00 0.01 0.00 0.00 46.19 47.33 3fka s LEU 85 CO 0.00 -0.02 -0.05 -2.28 1.01 0.00 0.00 176.35 175.01 3fka s HIS 86 N -0.17 3.08 -0.06 0.29 5.65 -0.08 -0.86 115.29 123.15 3fka s HIS 86 Ca 0.08 -1.51 0.06 0.00 0.25 0.00 0.00 55.06 53.93 3fka s HIS 86 Cb -0.04 -2.08 -0.01 0.00 -1.18 0.00 0.00 32.58 29.27 3fka s HIS 86 CO -0.14 -0.72 -0.24 0.08 -0.65 0.00 0.00 174.74 173.07 3fka s VAL 87 N 1.34 1.97 -0.12 0.89 1.01 -0.12 -0.12 120.40 125.25 3fka s VAL 87 Ca 0.00 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 60.84 3fka s VAL 87 Cb -0.17 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 3fka s VAL 87 CO -0.04 0.55 0.30 -1.61 0.00 0.00 0.00 175.10 174.31 3fka s GLU 88 N -0.06 4.08 -0.16 2.72 2.02 0.13 -0.25 118.70 127.18 3fka s GLU 88 Ca -0.06 0.15 -0.15 0.00 0.02 0.00 0.00 54.97 54.92 3fka s GLU 88 Cb -0.14 -3.35 0.04 0.00 0.10 0.00 0.00 34.13 30.78 3fka s GLU 88 CO 0.04 0.40 0.43 1.21 0.02 0.00 0.00 175.26 177.37 3fka s ASN 89 N -0.05 -0.45 -0.08 -0.19 2.47 -0.64 -0.98 114.94 115.02 3fka s ASN 89 Ca 0.18 0.86 -0.12 0.00 0.42 0.00 0.00 52.86 54.20 3fka s ASN 89 Cb -0.14 0.87 -0.05 0.00 -1.45 0.00 0.00 41.25 40.49 3fka s ASN 89 CO 0.06 -0.16 0.29 -1.81 -3.72 0.00 0.00 177.10 171.76 3fka s ASP 90 N 0.19 6.57 -0.19 -4.21 1.11 -0.47 -0.66 116.67 118.99 3fka s ASP 90 Ca -0.00 0.67 -0.11 0.00 0.18 0.00 0.00 52.55 53.30 3fka s ASP 90 Cb -0.03 -2.17 0.06 0.00 1.07 0.00 0.00 42.92 41.85 3fka s ASP 90 CO 0.01 0.29 0.46 0.86 1.18 0.00 0.00 175.17 177.98 3fka s TRP 91 N -0.65 -0.69 -1.54 4.23 -0.00 -1.26 -4.69 118.94 114.33 3fka s TRP 91 Ca 0.19 1.45 -0.11 0.00 -0.00 0.00 0.00 56.10 57.63 3fka s TRP 91 Cb -0.14 0.34 0.08 0.00 -0.00 0.00 0.00 33.47 33.75 3fka s TRP 91 CO 0.08 -0.38 0.79 0.00 -0.00 0.00 0.00 176.95 177.44 3fka n ALA 92 N 4.26 -1.48 -2.37 5.86 0.00 -1.26 -4.70 120.51 120.82 3fka n ALA 92 Ca -0.23 0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.18 3fka n ALA 92 Cb 0.56 -3.38 0.02 0.00 0.00 0.00 0.00 19.45 16.65 3fka n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fka n GLY 93 N -1.64 0.29 2.95 0.00 0.00 -1.26 -5.23 105.19 100.30 3fka n GLY 93 Ca -0.05 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 3fka n GLY 93 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3fka s ARG 95 N -4.40 0.12 0.16 1.61 3.52 -1.26 -5.17 118.95 113.52 3fka s ARG 95 Ca 0.01 0.44 0.10 0.00 -0.13 0.00 0.00 55.73 56.16 3fka s ARG 95 Cb -0.01 -0.17 -0.04 0.00 -1.56 0.00 0.00 34.95 33.17 3fka s ARG 95 CO 0.17 -0.18 -0.21 -0.06 -0.81 0.00 0.00 175.30 174.21 3fka s PHE 96 N 1.34 2.41 -0.22 5.12 0.40 0.16 -0.98 117.98 126.21 3fka s PHE 96 Ca -0.08 -0.32 -0.04 0.00 -0.60 0.00 0.00 56.93 55.89 3fka s PHE 96 Cb -0.11 -1.23 -0.01 0.00 0.51 0.00 0.00 43.02 42.18 3fka s PHE 96 CO -0.07 0.45 -0.03 -0.51 0.70 0.00 0.00 175.22 175.76 3fka s ASP 97 N -2.46 4.37 -0.16 1.36 1.01 -0.36 -1.62 116.67 118.81 3fka s ASP 97 Ca 0.19 -0.39 -0.03 0.00 0.71 0.00 0.00 52.55 53.03 3fka s ASP 97 Cb -0.09 -1.75 -0.03 0.00 1.01 0.00 0.00 42.92 42.06 3fka s ASP 97 CO 0.10 -0.03 -0.04 -1.81 0.21 0.00 0.00 175.17 173.60 3fka s ASP 98 N 1.49 4.71 -0.31 0.27 1.01 0.65 -1.61 116.67 122.88 3fka s ASP 98 Ca 0.06 -0.16 -0.05 0.00 0.71 0.00 0.00 52.55 53.11 3fka s ASP 98 Cb -0.14 -1.77 0.04 0.00 1.01 0.00 0.00 42.92 42.05 3fka s ASP 98 CO -0.03 0.16 0.05 -0.36 0.21 0.00 0.00 175.17 175.20 3fka s PHE 99 N 0.42 3.21 -0.10 4.23 0.08 0.99 -0.95 117.98 125.86 3fka s PHE 99 Ca -0.04 -1.49 -0.02 0.00 0.12 0.00 0.00 56.93 55.50 3fka s PHE 99 Cb -0.14 -2.19 -0.03 0.00 -0.57 0.00 0.00 43.02 40.08 3fka s PHE 99 CO 0.03 -0.72 -0.01 -0.51 -0.10 0.00 0.00 175.22 173.90 3fka s LEU 100 N 1.37 3.48 -0.12 -0.37 2.01 -0.04 -0.82 118.68 124.19 3fka s LEU 100 Ca -0.02 0.07 -0.00 0.00 0.01 0.00 0.00 54.13 54.19 3fka s LEU 100 Cb -0.19 -1.80 -0.02 0.00 0.01 0.00 0.00 46.19 44.19 3fka s LEU 100 CO 0.01 0.33 -0.10 0.42 1.01 0.00 0.00 176.35 178.02 3fka s THR 101 N -0.61 3.38 0.06 5.49 -4.23 -0.38 -0.90 115.64 118.45 3fka s THR 101 Ca 0.10 -0.56 0.05 0.00 -1.18 0.00 0.00 61.69 60.10 3fka s THR 101 Cb -0.12 -2.42 -0.03 0.00 1.34 0.00 0.00 72.50 71.27 3fka s THR 101 CO 0.02 0.54 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.80 3fka s VAL 102 N 0.02 1.17 -0.05 2.29 1.01 0.28 -0.72 120.40 124.40 3fka s VAL 102 Ca -0.03 -1.22 0.03 0.00 0.00 0.00 0.00 61.98 60.77 3fka s VAL 102 Cb -0.14 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.15 3fka s VAL 102 CO 0.04 -0.12 -0.14 -0.22 0.00 0.00 0.00 175.10 174.65 3fka s LEU 103 N -1.53 1.81 -0.50 3.92 2.96 -0.30 -1.11 118.68 123.93 3fka s LEU 103 Ca 0.00 -0.31 -0.25 0.00 -0.22 0.00 0.00 54.13 53.36 3fka s LEU 103 Cb -0.09 -0.85 0.03 0.00 0.50 0.00 0.00 46.19 45.78 3fka s LEU 103 CO 0.02 0.10 0.92 -0.22 -1.32 0.00 0.00 176.35 175.85 3fka s LEU 104 N 0.28 4.06 -0.10 -0.68 2.96 0.08 -1.04 118.68 124.24 3fka s LEU 104 Ca -0.08 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 3fka s LEU 104 Cb -0.12 -3.02 0.02 0.00 0.50 0.00 0.00 46.19 43.57 3fka s LEU 104 CO 0.03 -1.12 -0.11 -2.28 -1.32 0.00 0.00 176.35 171.55 3fka s HIS 105 N 3.81 1.58 -1.46 5.38 5.65 -0.07 -4.81 115.29 125.38 3fka s HIS 105 Ca 0.34 -0.73 -0.05 0.00 0.25 0.00 0.00 55.06 54.87 3fka s HIS 105 Cb -0.11 -1.22 0.04 0.00 -1.18 0.00 0.00 32.58 30.10 3fka s HIS 105 CO 0.23 -0.44 0.60 0.39 -0.65 0.00 0.00 174.74 174.88 3fka n GLU 106 N 4.44 -3.83 -0.36 2.88 -0.58 -1.26 -2.36 120.64 119.57 3fka n GLU 106 Ca -0.17 0.46 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 3fka n GLU 106 Cb 0.51 -4.86 0.00 0.00 -0.57 0.00 0.00 31.44 26.52 3fka n GLU 106 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fka n GLY 107 N -1.78 1.53 3.13 0.62 0.00 -1.26 -5.04 105.19 102.40 3fka n GLY 107 Ca -0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 3fka n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fka s SER 108 N -3.23 1.63 -0.16 1.61 0.01 -0.99 -5.13 113.70 107.44 3fka s SER 108 Ca 0.00 -0.40 -0.24 0.00 1.31 0.00 0.00 55.95 56.62 3fka s SER 108 Cb 0.00 -0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.09 3fka s SER 108 CO 0.00 0.07 0.75 0.26 0.41 0.00 0.00 173.24 174.73 3fka s TRP 109 N -0.71 3.43 0.03 2.43 0.52 -1.26 -0.89 118.94 122.49 3fka s TRP 109 Ca 0.02 1.16 0.04 0.00 0.02 0.00 0.00 56.10 57.34 3fka s TRP 109 Cb -0.07 -2.92 -0.02 0.00 -1.15 0.00 0.00 33.47 29.31 3fka s TRP 109 CO 0.01 -0.18 -0.11 1.03 0.02 0.00 0.00 176.95 177.72 3fka s ARG 110 N 1.89 0.76 -0.03 4.98 0.52 -0.21 -4.94 118.95 121.93 3fka s ARG 110 Ca 0.35 -0.66 -0.30 0.00 -0.52 0.00 0.00 55.73 54.60 3fka s ARG 110 Cb -0.16 -0.70 -0.03 0.00 0.52 0.00 0.00 34.95 34.57 3fka s ARG 110 CO 0.13 0.17 1.11 0.42 0.02 0.00 0.00 175.30 177.15 3fka s ILE 111 N -0.85 4.44 -0.14 1.52 1.01 1.00 -1.14 121.20 127.03 3fka s ILE 111 Ca -0.01 1.75 -0.02 0.00 0.00 0.00 0.00 60.65 62.37 3fka s ILE 111 Cb -0.07 -4.12 -0.24 0.00 0.01 0.00 0.00 42.46 38.03 3fka s ILE 111 CO 0.01 0.06 0.27 0.52 0.00 0.00 0.00 174.94 175.81 3fka n VAL 112 N 4.28 1.70 -3.62 2.92 0.31 0.10 -1.36 118.33 122.67 3fka n VAL 112 Ca 0.09 -0.66 -0.14 0.00 -0.01 0.00 0.00 64.34 63.61 3fka n VAL 112 Cb 0.48 -1.57 -0.06 0.00 -0.91 0.00 0.00 33.84 31.78 3fka n VAL 112 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3fka s SER 113 N -6.80 -0.40 -0.16 4.52 1.04 -1.12 -3.22 113.70 107.56 3fka s SER 113 Ca -0.23 0.24 -0.02 0.00 0.48 0.00 0.00 55.95 56.42 3fka s SER 113 Cb 0.07 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.69 3fka s SER 113 CO 0.74 -0.63 0.00 -0.75 0.98 0.00 0.00 173.24 173.59 3fka s LYS 114 N -1.95 0.86 -0.04 4.02 2.20 -0.21 -1.25 119.74 123.37 3fka s LYS 114 Ca -0.08 -0.34 0.05 0.00 -0.36 0.00 0.00 55.97 55.24 3fka s LYS 114 Cb -0.01 -1.84 -0.02 0.00 -1.51 0.00 0.00 37.83 34.44 3fka s LYS 114 CO 0.02 -0.51 -0.17 0.14 -0.36 0.00 0.00 175.35 174.46 3fka s VAL 115 N 1.82 2.79 0.14 4.02 -7.23 -0.00 -0.79 120.40 121.15 3fka s VAL 115 Ca 0.01 -0.85 -0.01 0.00 -1.81 0.00 0.00 61.98 59.32 3fka s VAL 115 Cb -0.16 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 3fka s VAL 115 CO -0.07 0.58 0.07 -0.72 -0.31 0.00 0.00 175.10 174.64 3fka s TYR 116 N -0.71 0.89 0.01 2.82 -0.85 -0.44 -0.01 117.35 119.06 3fka s TYR 116 Ca 0.11 -1.25 -0.01 0.00 -0.52 0.00 0.00 57.07 55.41 3fka s TYR 116 Cb -0.10 -0.49 -0.01 0.00 0.38 0.00 0.00 41.96 41.74 3fka s TYR 116 CO 0.00 -0.54 -0.01 -0.98 -1.52 0.00 0.00 175.55 172.51 3fka s ARG 117 N -4.06 0.25 -0.21 -3.49 1.04 -0.64 -4.24 118.95 107.61 3fka s ARG 117 Ca 0.26 -0.44 -0.11 0.00 -1.04 0.00 0.00 55.73 54.40 3fka s ARG 117 Cb 0.07 0.09 -0.05 0.00 -2.04 0.00 0.00 34.95 33.03 3fka s ARG 117 CO 0.03 -0.04 0.18 0.42 -0.04 0.00 0.00 175.30 175.84 3fka s ILE 118 N -1.09 5.37 -2.00 4.99 1.01 -1.26 -1.22 121.20 127.00 3fka s ILE 118 Ca -0.12 0.26 0.24 0.00 0.00 0.00 0.00 60.65 61.03 3fka s ILE 118 Cb -0.07 -3.52 0.67 0.00 0.01 0.00 0.00 42.46 39.56 3fka s ILE 118 CO -0.01 0.39 1.78 0.54 0.00 0.00 0.00 174.94 177.64