#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fka s THR 2 N 0.00 1.91 0.40 2.61 -4.23 -1.26 -5.18 115.64 109.89 3fka s THR 2 Ca 0.00 -2.25 0.10 0.00 -1.18 0.00 0.00 61.69 58.37 3fka s THR 2 Cb 0.00 -2.17 0.17 0.00 1.34 0.00 0.00 72.50 71.84 3fka s THR 2 CO 0.00 -0.50 1.93 0.71 -0.54 0.00 0.00 174.62 176.22 3fka h THR 3 N 2.44 1.17 -0.50 3.99 1.35 -1.99 -1.20 112.91 118.16 3fka h THR 3 Ca -0.39 -0.74 -0.04 0.00 -0.55 0.00 0.00 66.41 64.69 3fka h THR 3 Cb 1.23 1.21 -0.02 0.00 -1.73 0.00 0.00 68.15 68.84 3fka h THR 3 CO 0.62 0.23 0.15 0.28 -0.25 0.00 0.00 175.52 176.55 3fka h SER 4 N 0.20 0.74 -0.54 5.36 0.02 -2.04 0.65 113.55 117.94 3fka h SER 4 Ca 0.04 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.73 3fka h SER 4 Cb 0.35 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 3fka h SER 4 CO 0.02 0.76 0.18 -0.33 -1.14 0.00 0.00 176.83 176.32 3fka h GLU 5 N 0.68 0.84 -0.71 3.45 5.08 -1.90 -1.16 114.58 120.86 3fka h GLU 5 Ca 0.16 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3fka h GLU 5 Cb 0.29 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 3fka h GLU 5 CO -0.00 0.76 0.27 0.45 -1.00 0.00 0.00 179.01 179.49 3fka h HIS 6 N 0.75 1.10 -0.78 4.33 3.86 -0.95 -1.55 115.15 121.91 3fka h HIS 6 Ca 0.18 -0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 3fka h HIS 6 Cb 0.26 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 28.37 3fka h HIS 6 CO 0.01 0.86 0.33 0.82 0.86 0.00 0.00 177.93 180.81 3fka h ILE 7 N 1.03 1.25 -0.70 2.45 2.04 -0.60 -0.53 117.51 122.45 3fka h ILE 7 Ca 0.24 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 3fka h ILE 7 Cb 0.23 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 3fka h ILE 7 CO -0.02 0.32 0.35 0.00 0.00 0.00 0.00 178.15 178.80 3fka h ALA 8 N 1.23 0.90 -0.75 1.87 0.00 -0.97 -0.07 119.26 121.47 3fka h ALA 8 Ca 0.26 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3fka h ALA 8 Cb 0.18 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3fka h ALA 8 CO -0.03 0.45 0.25 0.00 0.00 0.00 0.00 179.25 179.93 3fka h ALA 9 N 1.17 0.98 -0.40 0.00 0.00 -0.73 -1.32 119.26 118.96 3fka h ALA 9 Ca 0.24 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3fka h ALA 9 Cb 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3fka h ALA 9 CO -0.03 0.65 -0.20 -0.07 0.00 0.00 0.00 179.25 179.60 3fka h LEU 10 N 1.11 0.77 -0.43 0.00 3.38 -0.86 0.18 115.31 119.45 3fka h LEU 10 Ca 0.24 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3fka h LEU 10 Cb 0.28 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3fka h LEU 10 CO -0.01 0.96 0.18 0.74 0.09 0.00 0.00 178.44 180.40 3fka h THR 11 N 0.68 1.19 -0.62 0.22 2.02 -0.70 -0.42 112.91 115.29 3fka h THR 11 Ca 0.10 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 3fka h THR 11 Cb 0.70 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 3fka h THR 11 CO 0.05 0.22 0.31 0.00 0.37 0.00 0.00 175.52 176.47 3fka h ALA 12 N 1.03 0.80 -0.60 6.16 0.00 -0.96 -2.19 119.26 123.50 3fka h ALA 12 Ca 0.15 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3fka h ALA 12 Cb 0.17 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3fka h ALA 12 CO -0.01 0.36 0.35 1.25 0.00 0.00 0.00 179.25 181.20 3fka h LEU 13 N 0.86 0.54 -0.43 0.00 5.85 -0.55 -0.51 115.31 121.06 3fka h LEU 13 Ca 0.21 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3fka h LEU 13 Cb 0.11 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3fka h LEU 13 CO -0.03 0.37 0.23 0.58 -0.34 0.00 0.00 178.44 179.25 3fka h VAL 14 N 0.67 1.17 -0.64 1.05 2.07 -0.78 0.79 116.25 120.58 3fka h VAL 14 Ca 0.26 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.33 3fka h VAL 14 Cb 0.09 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3fka h VAL 14 CO -0.14 0.18 0.42 -0.08 0.02 0.00 0.00 177.57 177.97 3fka h GLU 15 N 0.56 0.84 -0.43 1.57 4.81 -1.04 -0.43 114.58 120.47 3fka h GLU 15 Ca 0.15 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3fka h GLU 15 Cb 0.08 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 3fka h GLU 15 CO -0.02 0.56 0.23 1.15 -0.73 0.00 0.00 179.01 180.20 3fka h THR 16 N 0.86 1.16 0.11 0.32 2.02 -0.74 -3.07 112.91 113.56 3fka h THR 16 Ca 0.23 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 67.02 3fka h THR 16 Cb -0.09 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 3fka h THR 16 CO -0.05 0.16 -0.15 0.22 0.37 0.00 0.00 175.52 176.07 3fka h TYR 17 N 0.55 -0.39 0.00 3.16 3.20 -0.46 0.62 116.97 123.66 3fka h TYR 17 Ca 0.15 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3fka h TYR 17 Cb 0.06 0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.49 3fka h TYR 17 CO -0.02 -0.23 0.00 1.33 -1.64 0.00 0.00 178.16 177.60 3fka n VAL 18 N -5.28 0.02 -0.41 1.81 0.24 -0.20 -4.57 118.33 109.94 3fka n VAL 18 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 3fka n VAL 18 Cb 0.19 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 3fka n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fka n ALA 20 N 0.47 -0.06 0.00 2.33 0.00 0.21 -4.62 120.51 118.84 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 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.21 0.00 0.86 0.00 -1.04 -1.26 -1.01 114.28 111.62 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 0.03 0.00 0.49 0.00 -1.82 0.00 0.00 70.33 69.03 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 0.10 -3.14 -2.82 5.12 -1.26 -1.29 116.66 113.36 3fka n ARG 23 Ca 0.00 0.07 -0.14 0.00 -1.93 0.00 0.00 57.85 55.85 3fka n ARG 23 Cb 0.00 -1.60 0.05 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 1.43 -0.01 3.49 -0.13 0.00 -0.18 -4.52 105.19 105.28 3fka n GLY 24 Ca 0.06 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.32 6.45 0.10 1.61 -1.08 -0.33 -4.67 116.67 115.44 3fka s ASP 25 Ca 0.31 -1.51 -0.24 0.00 -0.52 0.00 0.00 52.55 50.59 3fka s ASP 25 Cb -0.14 -2.46 -0.11 0.00 -1.46 0.00 0.00 42.92 38.75 3fka s ASP 25 CO 0.46 -1.33 1.70 -0.09 0.52 0.00 0.00 175.17 176.43 3fka h ARG 26 N 9.36 -0.19 -0.96 4.34 2.43 -1.92 -1.64 114.38 125.80 3fka h ARG 26 Ca 0.03 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.29 3fka h ARG 26 Cb 1.03 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.56 3fka h ARG 26 CO 1.22 -0.12 0.62 -1.35 -1.51 0.00 0.00 179.97 178.83 3fka h PRO 27 N -0.19 1.04 -0.40 0.20 0.11 -1.99 0.19 132.00 130.95 3fka h PRO 27 Ca 0.02 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.01 3fka h PRO 27 Cb 0.21 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 3fka h PRO 27 CO -0.06 0.69 0.01 0.00 -0.21 0.00 0.00 178.00 178.42 3fka h ALA 28 N 1.50 0.54 -0.58 -0.75 0.00 -1.94 -1.70 119.26 116.34 3fka h ALA 28 Ca 0.43 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3fka h ALA 28 Cb 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3fka h ALA 28 CO -0.18 0.32 0.01 -0.07 0.00 0.00 0.00 179.25 179.33 3fka h LEU 29 N 0.54 0.96 -1.22 0.00 3.38 -0.82 -1.21 115.31 116.94 3fka h LEU 29 Ca 0.11 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 3fka h LEU 29 Cb 0.47 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3fka h LEU 29 CO 0.02 1.01 -0.37 -0.33 0.09 0.00 0.00 178.44 178.86 3fka h GLU 30 N 0.91 0.00 -0.05 1.13 5.08 -0.83 -2.37 114.58 118.45 3fka h GLU 30 Ca 0.17 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 3fka h GLU 30 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3fka h GLU 30 CO 0.02 0.37 -0.23 -0.09 -1.00 0.00 0.00 179.01 178.08 3fka h ARG 31 N 0.00 0.25 0.00 2.33 2.43 -0.87 -3.36 114.38 115.16 3fka h ARG 31 Ca -0.00 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3fka h ARG 31 Cb 0.72 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3fka h ARG 31 CO 0.05 0.84 -0.11 -0.84 -1.51 0.00 0.00 179.97 178.40 3fka h ILE 32 N -0.29 0.00 -3.52 1.20 3.07 -1.19 -3.45 117.51 113.33 3fka h ILE 32 Ca -0.01 -0.54 -0.67 0.00 1.55 0.00 0.00 64.86 65.19 3fka h ILE 32 Cb 0.88 1.47 -0.26 0.00 -0.27 0.00 0.00 36.82 38.65 3fka h ILE 32 CO 0.05 0.00 -0.76 -0.36 -1.05 0.00 0.00 178.15 176.03 3fka s PHE 33 N -3.13 2.79 0.66 0.16 0.40 -0.90 -0.06 117.98 117.91 3fka s PHE 33 Ca 0.09 -0.49 -0.18 0.00 -0.60 0.00 0.00 56.93 55.76 3fka s PHE 33 Cb 0.12 -1.78 -0.01 0.00 0.51 0.00 0.00 43.02 41.86 3fka s PHE 33 CO 0.63 -0.09 1.27 1.19 0.70 0.00 0.00 175.22 178.91 3fka n PHE 34 N 3.17 1.81 -0.35 0.36 3.72 -0.72 -4.71 117.46 120.73 3fka n PHE 34 Ca -0.18 0.42 0.12 0.00 -0.05 0.00 0.00 57.45 57.76 3fka n PHE 34 Cb 0.53 -2.25 0.31 0.00 -0.94 0.00 0.00 39.48 37.13 3fka n PHE 34 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3fka h GLY 35 N 0.40 1.77 -2.54 1.37 0.00 -1.92 -1.07 103.07 101.08 3fka h GLY 35 Ca -0.50 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.46 3fka h GLY 35 CO 0.52 -0.04 0.00 0.28 0.00 0.00 0.00 176.54 177.30 3fka n LYS 36 N -4.76 3.30 -1.78 4.80 5.02 -1.26 -4.47 118.16 119.01 3fka n LYS 36 Ca 0.23 -2.13 -0.34 0.00 -2.02 0.00 0.00 58.31 54.05 3fka n LYS 36 Cb 0.55 -1.85 0.05 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.96 2.44 0.11 7.82 0.00 -0.41 -4.94 121.76 124.83 3fka s ALA 37 Ca 0.38 0.66 0.09 0.00 0.00 0.00 0.00 51.96 53.09 3fka s ALA 37 Cb 0.26 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 3fka s ALA 37 CO 0.15 -1.31 -0.23 -1.54 0.00 0.00 0.00 175.76 172.83 3fka s SER 38 N -2.35 2.86 -0.17 0.00 1.04 -1.21 -3.08 113.70 110.80 3fka s SER 38 Ca 0.69 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 56.41 3fka s SER 38 Cb -0.23 -0.17 0.03 0.00 0.10 0.00 0.00 66.02 65.75 3fka s SER 38 CO 0.40 0.11 -0.12 -0.70 0.98 0.00 0.00 173.24 173.90 3fka s GLU 39 N -1.99 2.18 -0.02 4.02 2.12 -0.16 -1.29 118.70 123.57 3fka s GLU 39 Ca 0.10 -0.69 0.03 0.00 0.36 0.00 0.00 54.97 54.77 3fka s GLU 39 Cb -0.10 -2.25 -0.00 0.00 0.26 0.00 0.00 34.13 32.04 3fka s GLU 39 CO 0.05 -0.32 -0.09 0.08 -0.54 0.00 0.00 175.26 174.44 3fka s VAL 40 N 1.45 0.74 0.00 3.70 1.01 -0.19 -0.32 120.40 126.78 3fka s VAL 40 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3fka s VAL 40 Cb -0.14 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.59 3fka s VAL 40 CO -0.10 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.84 3fka n GLY 41 N 3.12 -1.06 3.75 4.51 0.00 -0.99 -1.63 105.19 112.89 3fka n GLY 41 Ca -0.16 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 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 3.55 -0.06 1.61 3.76 -1.26 -0.96 115.29 119.94 3fka s HIS 42 Ca 0.00 0.85 -0.02 0.00 -0.15 0.00 0.00 55.06 55.73 3fka s HIS 42 Cb 0.00 -2.44 0.04 0.00 1.11 0.00 0.00 32.58 31.29 3fka s HIS 42 CO 0.00 0.30 0.10 -0.47 -0.85 0.00 0.00 174.74 173.83 3fka s TYR 43 N 0.16 -0.05 -1.35 1.40 5.04 -0.18 -4.66 117.35 117.71 3fka s TYR 43 Ca 0.23 0.41 -0.07 0.00 -2.44 0.00 0.00 57.07 55.20 3fka s TYR 43 Cb -0.15 -0.36 0.02 0.00 0.35 0.00 0.00 41.96 41.82 3fka s TYR 43 CO 0.10 -0.22 1.06 0.39 -1.34 0.00 0.00 175.55 175.54 3fka n GLU 44 N 5.20 -6.96 -0.69 4.97 1.02 -1.26 -2.23 120.64 120.69 3fka n GLU 44 Ca -0.06 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 3fka n GLU 44 Cb 0.50 -5.75 0.00 0.00 -0.02 0.00 0.00 31.44 26.17 3fka n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fka n GLY 45 N -1.71 1.07 3.38 0.62 0.00 -1.26 -5.01 105.19 102.28 3fka n GLY 45 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.19 1.42 -0.02 1.61 2.02 -0.95 -5.08 118.70 117.51 3fka s GLU 46 Ca 0.00 -1.56 -0.30 0.00 0.02 0.00 0.00 54.97 53.12 3fka s GLU 46 Cb 0.00 -1.45 -0.05 0.00 0.10 0.00 0.00 34.13 32.73 3fka s GLU 46 CO 0.00 0.28 1.38 -1.17 0.02 0.00 0.00 175.26 175.77 3fka s LEU 47 N -3.06 4.30 -0.23 1.80 2.96 -1.26 -1.01 118.68 122.17 3fka s LEU 47 Ca 0.22 2.04 0.02 0.00 -0.22 0.00 0.00 54.13 56.19 3fka s LEU 47 Cb -0.04 -3.56 0.05 0.00 0.50 0.00 0.00 46.19 43.13 3fka s LEU 47 CO 0.09 -0.72 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.05 3fka s LEU 48 N 2.57 2.92 -0.38 -0.68 2.96 -0.13 -4.94 118.68 120.99 3fka s LEU 48 Ca 0.63 -1.11 -0.06 0.00 -0.22 0.00 0.00 54.13 53.37 3fka s LEU 48 Cb -0.30 -1.50 0.08 0.00 0.50 0.00 0.00 46.19 44.97 3fka s LEU 48 CO 0.25 -0.13 0.17 0.86 -1.32 0.00 0.00 176.35 176.19 3fka s TRP 49 N 1.19 3.39 -0.17 5.38 -0.11 -1.26 -2.34 118.94 125.01 3fka s TRP 49 Ca -0.04 -1.84 -0.08 0.00 1.22 0.00 0.00 56.10 55.36 3fka s TRP 49 Cb -0.17 -2.78 -0.04 0.00 -1.50 0.00 0.00 33.47 28.97 3fka s TRP 49 CO -0.08 -0.86 0.09 -0.80 -4.62 0.00 0.00 176.95 170.68 3fka s ASN 50 N 1.77 5.89 0.98 5.86 0.01 0.56 -4.96 114.94 125.04 3fka s ASN 50 Ca 0.02 0.19 -0.14 0.00 -0.71 0.00 0.00 52.86 52.23 3fka s ASN 50 Cb -0.22 -1.98 0.18 0.00 0.41 0.00 0.00 41.25 39.64 3fka s ASN 50 CO -0.00 0.23 1.15 -0.94 -1.51 0.00 0.00 177.10 176.02 3fka s SER 51 N 0.04 2.90 0.19 -1.22 1.04 -1.26 -0.99 113.70 114.41 3fka s SER 51 Ca 0.07 0.87 -0.10 0.00 0.48 0.00 0.00 55.95 57.27 3fka s SER 51 Cb -0.12 -1.35 0.12 0.00 0.10 0.00 0.00 66.02 64.77 3fka s SER 51 CO 0.00 -2.92 1.78 -0.09 0.98 0.00 0.00 173.24 172.99 3fka h ARG 52 N -1.75 1.01 -0.68 4.02 2.43 -1.76 -0.57 114.38 117.08 3fka h ARG 52 Ca -0.50 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 58.54 3fka h ARG 52 Cb 1.32 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 3fka h ARG 52 CO 0.55 0.80 0.43 -0.44 -1.51 0.00 0.00 179.97 179.80 3fka h ASP 53 N 0.98 0.72 -0.04 -3.80 3.32 -1.92 -0.79 116.42 114.89 3fka h ASP 53 Ca 0.24 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 3fka h ASP 53 Cb 0.13 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 3fka h ASP 53 CO -0.03 0.50 0.01 0.00 -1.72 0.00 0.00 179.24 178.00 3fka h ALA 54 N 1.28 0.05 0.00 3.45 0.00 -1.77 -2.30 119.26 119.98 3fka h ALA 54 Ca 0.27 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3fka h ALA 54 Cb -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3fka h ALA 54 CO -0.09 -0.31 -0.58 0.27 0.00 0.00 0.00 179.25 178.54 3fka h PHE 55 N -0.19 0.00 -0.67 0.00 -5.15 -1.01 -2.92 116.94 107.00 3fka h PHE 55 Ca 0.01 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.72 3fka h PHE 55 Cb 0.28 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.42 3fka h PHE 55 CO 0.02 0.58 0.19 0.82 -2.00 0.00 0.00 178.31 177.91 3fka h ILE 56 N 0.00 1.26 0.00 0.88 2.04 -1.12 -0.16 117.51 120.40 3fka h ILE 56 Ca -0.01 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.95 3fka h ILE 56 Cb 1.11 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3fka h ILE 56 CO 0.07 0.35 0.00 0.00 0.00 0.00 0.00 178.15 178.57 3fka n ALA 57 N -2.43 1.51 0.00 1.87 0.00 -0.87 -0.55 120.51 120.05 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 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.39 -0.83 0.00 5.08 -1.09 -1.62 114.58 116.51 3fka h GLU 60 Ca 0.00 -0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.46 3fka h GLU 60 Cb 0.00 -0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.08 3fka h GLU 60 CO 0.00 0.26 0.44 -0.44 -1.00 0.00 0.00 179.01 178.27 3fka h ASP 61 N 0.40 0.57 -0.63 1.42 3.32 -1.51 -2.22 116.42 117.77 3fka h ASP 61 Ca 0.14 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3fka h ASP 61 Cb 0.02 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3fka h ASP 61 CO -0.08 0.28 0.00 0.00 -1.72 0.00 0.00 179.24 177.72 3fka n ALA 62 N -2.41 2.40 -1.62 3.45 0.00 -1.12 -5.03 120.51 116.17 3fka n ALA 62 Ca 0.15 -1.16 -0.41 0.00 0.00 0.00 0.00 53.44 52.02 3fka n ALA 62 Cb 0.37 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 18.90 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 1.51 0.36 -3.75 0.00 0.00 -0.62 -4.90 120.51 113.10 3fka n ALA 63 Ca 0.22 0.24 -0.23 0.00 0.00 0.00 0.00 53.44 53.68 3fka n ALA 63 Cb 0.59 -2.11 -0.18 0.00 0.00 0.00 0.00 19.45 17.75 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 -0.70 1.63 0.48 0.00 -1.08 -0.42 -4.99 116.67 111.59 3fka s ASP 64 Ca 0.63 -0.12 0.27 0.00 -0.52 0.00 0.00 52.55 52.81 3fka s ASP 64 Cb -0.55 -0.41 0.91 0.00 -1.46 0.00 0.00 42.92 41.41 3fka s ASP 64 CO 0.57 -0.21 1.81 0.00 0.52 0.00 0.00 175.17 177.86 3fka h ALA 65 N 8.34 0.98 0.00 3.66 0.00 -1.88 -3.36 119.26 127.00 3fka h ALA 65 Ca -0.18 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3fka h ALA 65 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3fka h ALA 65 CO 0.25 0.11 -0.58 0.39 0.00 0.00 0.00 179.25 179.42 3fka n GLU 66 N -3.17 2.36 -1.96 0.00 1.02 -1.26 -5.04 120.64 112.58 3fka n GLU 66 Ca 0.01 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.75 3fka n GLU 66 Cb 0.42 -0.76 -0.01 0.00 -0.02 0.00 0.00 31.44 31.07 3fka n GLU 66 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3fka s THR 67 N -1.35 2.40 -0.51 2.62 -1.32 -1.26 -4.96 115.64 111.26 3fka s THR 67 Ca 0.00 0.39 -0.18 0.00 -1.21 0.00 0.00 61.69 60.69 3fka s THR 67 Cb 0.00 -3.25 0.07 0.00 -1.51 0.00 0.00 72.50 67.81 3fka s THR 67 CO 0.00 0.09 0.59 -1.81 -2.21 0.00 0.00 174.62 171.28 3fka s ASP 68 N -0.24 6.20 0.35 8.08 1.01 -1.26 -5.01 116.67 125.80 3fka s ASP 68 Ca 0.52 -1.08 -0.25 0.00 0.71 0.00 0.00 52.55 52.45 3fka s ASP 68 Cb -0.43 -2.27 -0.10 0.00 1.01 0.00 0.00 42.92 41.13 3fka s ASP 68 CO 0.56 -0.87 0.97 -2.16 0.21 0.00 0.00 175.17 173.89 3fka s PRO 69 N 2.42 4.46 0.19 8.23 0.04 -1.26 -5.02 135.00 144.06 3fka s PRO 69 Ca 0.12 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 3fka s PRO 69 Cb -0.21 -2.69 -0.08 0.00 0.04 0.00 0.00 34.50 31.56 3fka s PRO 69 CO 0.10 0.16 1.05 0.12 0.04 0.00 0.00 177.00 178.47 3fka s PHE 70 N -1.68 3.68 0.06 0.56 5.36 -1.26 -4.98 117.98 119.73 3fka s PHE 70 Ca 0.53 1.69 -0.27 0.00 -0.96 0.00 0.00 56.93 57.93 3fka s PHE 70 Cb -0.19 -3.20 0.07 0.00 -0.34 0.00 0.00 43.02 39.37 3fka s PHE 70 CO 0.24 -0.31 0.65 1.67 -1.46 0.00 0.00 175.22 176.00 3fka s TRP 71 N -0.47 -0.58 -0.07 10.12 1.48 -1.26 -1.96 118.94 126.20 3fka s TRP 71 Ca 0.47 0.66 -0.18 0.00 -1.06 0.00 0.00 56.10 55.99 3fka s TRP 71 Cb -0.28 0.50 0.04 0.00 -1.16 0.00 0.00 33.47 32.56 3fka s TRP 71 CO 0.35 -0.73 0.43 0.00 -4.06 0.00 0.00 176.95 172.93 3fka s ALA 72 N -2.64 -1.09 -0.42 2.67 0.00 -0.21 -4.98 121.76 115.09 3fka s ALA 72 Ca -0.04 0.83 -0.18 0.00 0.00 0.00 0.00 51.96 52.57 3fka s ALA 72 Cb -0.01 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.93 3fka s ALA 72 CO -0.03 -0.27 0.46 0.42 0.00 0.00 0.00 175.76 176.34 3fka s ILE 73 N -0.80 5.06 0.02 0.00 1.01 -1.26 -0.62 121.20 124.62 3fka s ILE 73 Ca -0.09 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.28 3fka s ILE 73 Cb -0.04 -4.05 -0.25 0.00 0.01 0.00 0.00 42.46 38.13 3fka s ILE 73 CO 0.04 -0.44 0.91 0.28 0.00 0.00 0.00 174.94 175.73 3fka h SER 74 N 8.74 0.21 -5.00 3.58 0.02 -1.13 -3.48 113.55 116.49 3fka h SER 74 Ca -0.26 -0.30 -0.05 0.00 -0.84 0.00 0.00 61.79 60.34 3fka h SER 74 Cb 1.11 -0.07 -0.17 0.00 0.14 0.00 0.00 62.40 63.41 3fka h SER 74 CO 0.80 1.25 0.18 -0.94 -1.14 0.00 0.00 176.83 176.98 3fka s SER 75 N -6.72 -0.61 -0.06 3.07 1.04 -0.93 -4.95 113.70 104.54 3fka s SER 75 Ca -0.06 0.45 -0.02 0.00 0.48 0.00 0.00 55.95 56.79 3fka s SER 75 Cb 0.08 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.79 3fka s SER 75 CO 0.84 -0.73 0.13 0.54 0.98 0.00 0.00 173.24 175.00 3fka s VAL 76 N -2.09 -0.07 -0.03 5.02 0.11 -1.26 -0.55 120.40 121.52 3fka s VAL 76 Ca -0.07 0.21 0.05 0.00 -2.93 0.00 0.00 61.98 59.24 3fka s VAL 76 Cb -0.00 -0.22 -0.01 0.00 -1.53 0.00 0.00 36.38 34.62 3fka s VAL 76 CO 0.02 0.09 -0.17 -0.44 -3.33 0.00 0.00 175.10 171.27 3fka s SER 77 N 1.29 2.08 -0.02 3.54 0.01 -1.26 -5.02 113.70 114.31 3fka s SER 77 Ca -0.08 -0.33 0.01 0.00 1.31 0.00 0.00 55.95 56.86 3fka s SER 77 Cb -0.12 -0.48 0.01 0.00 0.21 0.00 0.00 66.02 65.64 3fka s SER 77 CO -0.05 0.17 -0.05 -0.69 0.41 0.00 0.00 173.24 173.03 3fka s VAL 78 N -0.08 0.46 -0.21 3.43 1.01 -1.26 -4.27 120.40 119.48 3fka s VAL 78 Ca -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 3fka s VAL 78 Cb -0.10 -0.45 0.07 0.00 0.00 0.00 0.00 36.38 35.89 3fka s VAL 78 CO 0.01 0.18 0.06 -1.10 0.00 0.00 0.00 175.10 174.25 3fka s GLN 79 N 0.47 0.47 5.98 2.72 -1.52 -0.17 -5.01 119.66 122.60 3fka s GLN 79 Ca -0.06 -0.40 0.00 0.00 -1.95 0.00 0.00 55.36 52.95 3fka s GLN 79 Cb -0.09 -1.95 0.00 0.00 -0.22 0.00 0.00 33.01 30.75 3fka s GLN 79 CO -0.00 -0.71 0.00 0.41 -0.25 0.00 0.00 175.29 174.74 3fka n GLY 80 N 5.11 3.58 1.30 3.09 0.00 -1.26 -1.65 105.19 115.36 3fka n GLY 80 Ca -0.08 0.23 0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 7.76 3.82 -4.40 1.61 5.68 -1.26 -4.91 116.55 124.84 3fka n ASP 81 Ca 0.00 -2.23 -0.30 0.00 -0.50 0.00 0.00 54.79 51.76 3fka n ASP 81 Cb 0.00 -0.49 -0.13 0.00 -1.14 0.00 0.00 41.12 39.36 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 -1.56 2.37 0.00 2.12 -4.36 -0.66 -0.57 121.20 118.54 3fka s ILE 82 Ca 0.43 -1.57 0.00 0.00 -0.26 0.00 0.00 60.65 59.25 3fka s ILE 82 Cb 0.26 -2.02 0.00 0.00 1.25 0.00 0.00 42.46 41.94 3fka s ILE 82 CO 0.24 0.19 0.00 0.00 0.24 0.00 0.00 174.94 175.61 3fka n ALA 83 N 1.18 0.00 0.00 2.27 0.00 -0.31 -1.00 120.51 122.65 3fka n ALA 83 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3fka n ALA 83 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3fka n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3fka n LEU 85 N 0.00 0.00 -4.24 0.00 4.77 -0.44 -0.61 117.00 116.48 3fka n LEU 85 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 3fka n LEU 85 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 3fka n LEU 85 CO 0.00 0.00 -0.36 -2.28 -1.33 0.00 0.00 177.39 173.42 3fka s HIS 86 N -1.44 3.10 -0.06 -1.77 5.65 0.29 -0.91 115.29 120.14 3fka s HIS 86 Ca 0.00 -1.40 0.05 0.00 0.25 0.00 0.00 55.06 53.97 3fka s HIS 86 Cb 0.00 -2.12 -0.01 0.00 -1.18 0.00 0.00 32.58 29.27 3fka s HIS 86 CO 0.00 -0.69 -0.24 0.08 -0.65 0.00 0.00 174.74 173.25 3fka s VAL 87 N 1.37 1.97 -0.15 0.89 1.01 -0.28 -0.46 120.40 124.75 3fka s VAL 87 Ca 0.01 -1.01 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 3fka s VAL 87 Cb -0.17 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3fka s VAL 87 CO -0.02 0.55 0.13 -1.61 0.00 0.00 0.00 175.10 174.15 3fka s GLU 88 N -0.03 3.70 0.06 2.72 2.02 0.21 -0.61 118.70 126.77 3fka s GLU 88 Ca -0.07 -0.17 -0.26 0.00 0.02 0.00 0.00 54.97 54.50 3fka s GLU 88 Cb -0.14 -3.27 0.07 0.00 0.10 0.00 0.00 34.13 30.89 3fka s GLU 88 CO 0.04 0.61 0.62 0.54 0.02 0.00 0.00 175.26 177.09 3fka s ASN 89 N -0.53 -0.58 -0.10 -0.19 2.20 -0.69 -1.04 114.94 114.01 3fka s ASN 89 Ca 0.12 0.30 -0.06 0.00 -0.94 0.00 0.00 52.86 52.29 3fka s ASN 89 Cb -0.12 0.56 -0.04 0.00 -2.00 0.00 0.00 41.25 39.66 3fka s ASN 89 CO 0.02 -0.79 0.13 -1.81 -2.94 0.00 0.00 177.10 171.70 3fka s ASP 90 N -2.04 6.23 -0.23 3.54 1.01 -0.83 -0.65 116.67 123.71 3fka s ASP 90 Ca -0.05 0.41 -0.13 0.00 0.71 0.00 0.00 52.55 53.49 3fka s ASP 90 Cb -0.01 -1.98 0.07 0.00 1.01 0.00 0.00 42.92 42.02 3fka s ASP 90 CO -0.02 0.38 0.55 0.86 0.21 0.00 0.00 175.17 177.15 3fka s TRP 91 N -1.05 -0.84 -1.54 4.23 -0.00 -1.26 -4.73 118.94 113.74 3fka s TRP 91 Ca 0.17 1.72 -0.14 0.00 -0.00 0.00 0.00 56.10 57.85 3fka s TRP 91 Cb -0.12 0.46 0.10 0.00 -0.00 0.00 0.00 33.47 33.91 3fka s TRP 91 CO 0.06 -0.44 0.86 0.00 -0.00 0.00 0.00 176.95 177.43 3fka n ALA 92 N 4.29 -1.23 -2.17 5.86 0.00 -1.26 -4.70 120.51 121.30 3fka n ALA 92 Ca -0.22 0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.34 3fka n ALA 92 Cb 0.57 -4.02 0.01 0.00 0.00 0.00 0.00 19.45 16.01 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 -1.54 0.34 2.81 0.00 0.00 -1.26 -5.22 105.19 100.32 3fka n GLY 93 Ca 0.04 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.16 -0.01 0.16 1.61 6.06 -1.26 -5.17 118.95 116.19 3fka s ARG 95 Ca 0.00 0.23 0.10 0.00 -2.50 0.00 0.00 55.73 53.55 3fka s ARG 95 Cb -0.00 -0.22 -0.04 0.00 0.06 0.00 0.00 34.95 34.75 3fka s ARG 95 CO 0.09 -0.16 -0.21 -0.06 -2.50 0.00 0.00 175.30 172.46 3fka s PHE 96 N 1.05 2.03 -0.21 5.12 0.40 0.18 -1.09 117.98 125.46 3fka s PHE 96 Ca -0.09 -0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 55.80 3fka s PHE 96 Cb -0.12 -1.03 -0.01 0.00 0.51 0.00 0.00 43.02 42.37 3fka s PHE 96 CO -0.04 0.38 -0.05 -0.51 0.70 0.00 0.00 175.22 175.70 3fka s ASP 97 N -2.51 4.34 -0.11 1.36 1.01 -0.76 -1.70 116.67 118.30 3fka s ASP 97 Ca 0.16 -0.36 -0.00 0.00 0.71 0.00 0.00 52.55 53.06 3fka s ASP 97 Cb -0.07 -1.74 -0.02 0.00 1.01 0.00 0.00 42.92 42.10 3fka s ASP 97 CO 0.07 0.01 -0.09 -1.81 0.21 0.00 0.00 175.17 173.56 3fka s ASP 98 N 1.28 4.36 -0.28 0.27 1.01 0.22 -1.55 116.67 121.99 3fka s ASP 98 Ca 0.03 -0.19 -0.03 0.00 0.71 0.00 0.00 52.55 53.08 3fka s ASP 98 Cb -0.14 -1.44 0.03 0.00 1.01 0.00 0.00 42.92 42.38 3fka s ASP 98 CO -0.02 0.24 -0.01 -0.36 0.21 0.00 0.00 175.17 175.23 3fka s PHE 99 N -0.07 3.15 -0.02 4.23 0.08 0.10 -1.13 117.98 124.32 3fka s PHE 99 Ca -0.01 -1.55 0.02 0.00 0.12 0.00 0.00 56.93 55.52 3fka s PHE 99 Cb -0.14 -2.12 -0.03 0.00 -0.57 0.00 0.00 43.02 40.16 3fka s PHE 99 CO 0.03 -0.73 -0.06 -0.51 -0.10 0.00 0.00 175.22 173.85 3fka s LEU 100 N 1.34 3.19 -0.10 -0.37 1.02 -0.09 -0.87 118.68 122.79 3fka s LEU 100 Ca -0.01 -0.09 -0.01 0.00 0.02 0.00 0.00 54.13 54.04 3fka s LEU 100 Cb -0.18 -1.78 -0.03 0.00 0.02 0.00 0.00 46.19 44.23 3fka s LEU 100 CO -0.02 0.31 -0.04 0.42 0.02 0.00 0.00 176.35 177.04 3fka s THR 101 N -0.93 3.91 0.02 5.49 -4.23 -0.46 -1.32 115.64 118.12 3fka s THR 101 Ca 0.15 -0.39 0.01 0.00 -1.18 0.00 0.00 61.69 60.28 3fka s THR 101 Cb -0.11 -2.64 -0.01 0.00 1.34 0.00 0.00 72.50 71.07 3fka s THR 101 CO 0.05 0.57 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.98 3fka s VAL 102 N -0.52 0.23 -0.04 2.29 1.01 0.22 -0.84 120.40 122.76 3fka s VAL 102 Ca 0.08 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.42 3fka s VAL 102 Cb -0.12 -0.31 -0.00 0.00 0.00 0.00 0.00 36.38 35.95 3fka s VAL 102 CO 0.02 -0.29 -0.16 -0.22 0.00 0.00 0.00 175.10 174.45 3fka s LEU 103 N -1.02 1.91 -0.42 3.92 2.96 -0.56 -1.16 118.68 124.31 3fka s LEU 103 Ca -0.09 -0.33 -0.25 0.00 -0.22 0.00 0.00 54.13 53.24 3fka s LEU 103 Cb -0.07 -0.91 0.02 0.00 0.50 0.00 0.00 46.19 45.74 3fka s LEU 103 CO -0.00 0.15 0.91 -0.22 -1.32 0.00 0.00 176.35 175.86 3fka s LEU 104 N 0.00 4.02 -0.03 -0.68 2.96 0.26 -1.06 118.68 124.16 3fka s LEU 104 Ca -0.02 0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.18 3fka s LEU 104 Cb -0.10 -3.19 0.03 0.00 0.50 0.00 0.00 46.19 43.42 3fka s LEU 104 CO 0.02 -0.95 0.01 -2.28 -1.32 0.00 0.00 176.35 171.83 3fka s HIS 105 N 3.58 0.26 -1.52 5.38 5.65 0.07 -4.82 115.29 123.88 3fka s HIS 105 Ca 0.37 0.02 -0.13 0.00 0.25 0.00 0.00 55.06 55.57 3fka s HIS 105 Cb -0.11 -0.38 0.08 0.00 -1.18 0.00 0.00 32.58 30.99 3fka s HIS 105 CO 0.23 -0.12 0.98 0.39 -0.65 0.00 0.00 174.74 175.56 3fka n GLU 106 N 4.17 -5.62 -0.70 2.88 1.02 -1.26 -2.40 120.64 118.73 3fka n GLU 106 Ca -0.26 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 3fka n GLU 106 Cb 0.50 -5.49 0.00 0.00 -0.02 0.00 0.00 31.44 26.43 3fka n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fka n GLY 107 N -1.71 0.86 3.10 0.62 0.00 -1.26 -5.03 105.19 101.77 3fka n GLY 107 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 3fka n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fka s SER 108 N -3.00 0.03 0.06 1.61 1.04 -1.01 -5.14 113.70 107.29 3fka s SER 108 Ca 0.00 -0.21 -0.30 0.00 0.48 0.00 0.00 55.95 55.92 3fka s SER 108 Cb 0.00 0.20 -0.05 0.00 0.10 0.00 0.00 66.02 66.27 3fka s SER 108 CO 0.00 -0.36 1.05 0.26 0.98 0.00 0.00 173.24 175.17 3fka s TRP 109 N -1.35 3.62 -0.00 5.02 0.52 -1.26 -0.75 118.94 124.72 3fka s TRP 109 Ca -0.14 1.59 -0.01 0.00 0.02 0.00 0.00 56.10 57.56 3fka s TRP 109 Cb -0.08 -3.21 0.00 0.00 -1.15 0.00 0.00 33.47 29.03 3fka s TRP 109 CO 0.01 -0.40 0.01 0.50 0.02 0.00 0.00 176.95 177.09 3fka s ARG 110 N 0.67 0.03 -0.04 4.98 3.52 -0.22 -4.96 118.95 122.92 3fka s ARG 110 Ca 0.53 -0.00 -0.30 0.00 -0.13 0.00 0.00 55.73 55.83 3fka s ARG 110 Cb -0.25 0.01 -0.03 0.00 -1.56 0.00 0.00 34.95 33.13 3fka s ARG 110 CO 0.30 -0.00 1.07 0.42 -0.81 0.00 0.00 175.30 176.27 3fka s ILE 111 N -0.04 4.58 -0.13 4.11 1.01 0.92 -1.49 121.20 130.14 3fka s ILE 111 Ca -0.01 1.86 -0.09 0.00 0.00 0.00 0.00 60.65 62.41 3fka s ILE 111 Cb -0.00 -4.19 -0.25 0.00 0.01 0.00 0.00 42.46 38.02 3fka s ILE 111 CO -0.00 0.06 0.33 0.52 0.00 0.00 0.00 174.94 175.86 3fka n VAL 112 N 4.30 1.75 -3.46 2.92 0.31 -0.02 -1.75 118.33 122.38 3fka n VAL 112 Ca 0.09 -0.57 -0.13 0.00 -0.01 0.00 0.00 64.34 63.72 3fka n VAL 112 Cb 0.48 -1.78 -0.03 0.00 -0.91 0.00 0.00 33.84 31.61 3fka n VAL 112 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3fka s SER 113 N -7.02 -0.56 -0.06 4.52 0.15 -1.15 -3.31 113.70 106.27 3fka s SER 113 Ca -0.24 0.16 -0.01 0.00 0.70 0.00 0.00 55.95 56.57 3fka s SER 113 Cb 0.07 0.55 0.03 0.00 -1.71 0.00 0.00 66.02 64.96 3fka s SER 113 CO 0.74 -0.84 -0.01 -0.75 1.20 0.00 0.00 173.24 173.59 3fka s LYS 114 N -3.07 0.64 0.01 5.44 2.20 -0.41 -1.35 119.74 123.20 3fka s LYS 114 Ca -0.01 0.06 0.04 0.00 -0.36 0.00 0.00 55.97 55.70 3fka s LYS 114 Cb -0.01 -0.92 -0.03 0.00 -1.51 0.00 0.00 37.83 35.36 3fka s LYS 114 CO -0.07 -0.25 -0.11 0.08 -0.36 0.00 0.00 175.35 174.64 3fka s VAL 115 N 1.69 3.33 0.09 4.02 1.01 -0.05 -1.02 120.40 129.46 3fka s VAL 115 Ca 0.01 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 3fka s VAL 115 Cb -0.13 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 3fka s VAL 115 CO -0.04 0.40 0.12 -0.72 0.00 0.00 0.00 175.10 174.86 3fka s TYR 116 N -0.94 0.38 0.01 5.22 -0.85 -0.64 0.01 117.35 120.53 3fka s TYR 116 Ca 0.16 -0.83 0.01 0.00 -0.52 0.00 0.00 57.07 55.88 3fka s TYR 116 Cb -0.11 -0.21 -0.01 0.00 0.38 0.00 0.00 41.96 42.01 3fka s TYR 116 CO 0.06 -0.51 -0.04 -0.98 -1.52 0.00 0.00 175.55 172.56 3fka s ARG 117 N -3.91 0.29 -0.14 -3.49 1.04 -0.59 -4.25 118.95 107.89 3fka s ARG 117 Ca 0.09 -0.39 -0.15 0.00 -1.04 0.00 0.00 55.73 54.24 3fka s ARG 117 Cb 0.06 -0.11 -0.05 0.00 -2.04 0.00 0.00 34.95 32.81 3fka s ARG 117 CO -0.08 0.02 0.35 0.42 -0.04 0.00 0.00 175.30 175.97 3fka s ILE 118 N -0.77 5.27 -2.00 4.99 1.01 -1.26 -1.84 121.20 126.60 3fka s ILE 118 Ca -0.07 0.67 0.29 0.00 0.00 0.00 0.00 60.65 61.54 3fka s ILE 118 Cb -0.06 -3.68 0.83 0.00 0.01 0.00 0.00 42.46 39.56 3fka s ILE 118 CO -0.00 0.38 2.08 0.54 0.00 0.00 0.00 174.94 177.93