#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 1.15 -0.50 4.28 1.35 -2.00 -1.13 112.91 116.06 3fka h THR 3 Ca 0.00 -0.51 -0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3fka h THR 3 Cb 0.00 0.75 -0.02 0.00 -1.73 0.00 0.00 68.15 67.15 3fka h THR 3 CO 0.00 0.19 0.30 0.28 -0.25 0.00 0.00 175.52 176.04 3fka h SER 4 N 0.51 0.61 -0.43 5.36 0.02 -2.05 0.26 113.55 117.83 3fka h SER 4 Ca 0.12 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 3fka h SER 4 Cb 0.15 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3fka h SER 4 CO -0.01 0.50 -0.09 -0.33 -1.14 0.00 0.00 176.83 175.76 3fka h GLU 5 N 0.67 0.89 -0.60 3.45 5.08 -1.89 -0.38 114.58 121.80 3fka h GLU 5 Ca 0.18 -0.30 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 3fka h GLU 5 Cb 0.01 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3fka h GLU 5 CO -0.03 0.94 0.01 0.45 -1.00 0.00 0.00 179.01 179.38 3fka h HIS 6 N 0.80 1.14 -0.68 4.33 3.86 -0.82 -0.89 115.15 122.89 3fka h HIS 6 Ca 0.13 -0.19 -0.06 0.00 -1.16 0.00 0.00 60.37 59.09 3fka h HIS 6 Cb 0.60 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 3fka h HIS 6 CO 0.04 1.01 0.20 0.82 0.86 0.00 0.00 177.93 180.86 3fka h ILE 7 N 0.95 1.25 -0.78 2.45 2.04 -0.13 0.25 117.51 123.54 3fka h ILE 7 Ca 0.17 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 65.10 3fka h ILE 7 Cb 0.54 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3fka h ILE 7 CO 0.03 0.34 0.30 0.00 0.00 0.00 0.00 178.15 178.82 3fka h ALA 8 N 1.20 1.01 -0.67 1.87 0.00 -0.81 0.09 119.26 121.95 3fka h ALA 8 Ca 0.22 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3fka h ALA 8 Cb 0.30 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3fka h ALA 8 CO -0.01 0.64 0.15 0.00 0.00 0.00 0.00 179.25 180.03 3fka h ALA 9 N 1.16 0.99 -0.25 0.00 0.00 -0.67 -0.90 119.26 119.59 3fka h ALA 9 Ca 0.26 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3fka h ALA 9 Cb 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3fka h ALA 9 CO -0.02 0.65 -0.43 -0.07 0.00 0.00 0.00 179.25 179.38 3fka h LEU 10 N 1.01 0.64 -0.37 0.00 3.38 -0.72 -1.31 115.31 117.96 3fka h LEU 10 Ca 0.21 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3fka h LEU 10 Cb 0.38 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3fka h LEU 10 CO 0.00 0.99 0.12 0.74 0.09 0.00 0.00 178.44 180.38 3fka h THR 11 N 0.49 1.21 -0.91 0.22 2.02 -0.69 -1.98 112.91 113.27 3fka h THR 11 Ca 0.04 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 3fka h THR 11 Cb 0.94 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 3fka h THR 11 CO 0.08 0.23 0.52 0.00 0.37 0.00 0.00 175.52 176.73 3fka h ALA 12 N 0.96 1.17 -0.48 6.16 0.00 -1.10 -2.17 119.26 123.80 3fka h ALA 12 Ca 0.12 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3fka h ALA 12 Cb 0.24 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3fka h ALA 12 CO -0.01 0.65 0.28 1.25 0.00 0.00 0.00 179.25 181.43 3fka h LEU 13 N 1.27 0.45 -0.45 0.00 5.85 -0.95 -0.67 115.31 120.81 3fka h LEU 13 Ca 0.32 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 3fka h LEU 13 Cb -0.01 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3fka h LEU 13 CO -0.06 0.32 0.20 0.58 -0.34 0.00 0.00 178.44 179.14 3fka h VAL 14 N 0.56 1.20 -0.60 1.05 2.07 -1.00 0.23 116.25 119.75 3fka h VAL 14 Ca 0.20 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3fka h VAL 14 Cb 0.03 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3fka h VAL 14 CO -0.09 0.22 0.36 -0.08 0.02 0.00 0.00 177.57 178.00 3fka h GLU 15 N 0.59 0.82 0.02 1.57 4.81 -1.13 -0.91 114.58 120.35 3fka h GLU 15 Ca 0.15 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3fka h GLU 15 Cb 0.16 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 3fka h GLU 15 CO -0.02 0.59 -0.02 1.15 -0.73 0.00 0.00 179.01 179.99 3fka h THR 16 N 0.82 0.96 0.03 0.32 2.02 -0.79 -3.21 112.91 113.06 3fka h THR 16 Ca 0.22 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.43 3fka h THR 16 Cb -0.02 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 3fka h THR 16 CO -0.04 0.00 -0.40 0.22 0.37 0.00 0.00 175.52 175.67 3fka h TYR 17 N -0.04 -1.13 0.00 3.16 3.20 -0.70 0.16 116.97 121.63 3fka h TYR 17 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3fka h TYR 17 Cb 0.04 0.49 0.00 0.00 1.54 0.00 0.00 36.73 38.80 3fka h TYR 17 CO -0.09 -0.49 0.00 0.28 -1.64 0.00 0.00 178.16 176.23 3fka n VAL 18 N -5.45 0.00 -0.68 1.81 0.31 -0.37 -4.60 118.33 109.35 3fka n VAL 18 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3fka n VAL 18 Cb 0.36 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.25 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 0.48 -0.14 0.00 3.52 0.00 0.56 -4.68 120.51 120.25 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 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.40 0.00 0.90 0.00 -1.04 -1.26 -0.87 114.28 111.61 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 0.07 0.00 0.51 0.00 -1.82 0.00 0.00 70.33 69.09 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 0.07 -3.20 -2.82 5.12 -1.26 -1.05 116.66 113.52 3fka n ARG 23 Ca 0.00 0.05 -0.15 0.00 -1.93 0.00 0.00 57.85 55.81 3fka n ARG 23 Cb 0.00 -1.57 0.06 0.00 -1.16 0.00 0.00 32.46 29.78 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 1.45 -0.09 3.48 -0.13 0.00 -0.05 -4.59 105.19 105.25 3fka n GLY 24 Ca 0.06 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.39 6.46 0.07 1.61 -1.08 -0.30 -4.68 116.67 115.37 3fka s ASP 25 Ca 0.31 -1.58 -0.25 0.00 -0.52 0.00 0.00 52.55 50.51 3fka s ASP 25 Cb -0.14 -2.44 -0.16 0.00 -1.46 0.00 0.00 42.92 38.72 3fka s ASP 25 CO 0.51 -1.28 1.64 -0.09 0.52 0.00 0.00 175.17 176.47 3fka h ARG 26 N 9.26 -0.14 -0.67 4.34 2.43 -1.92 -2.46 114.38 125.22 3fka h ARG 26 Ca 0.03 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.28 3fka h ARG 26 Cb 1.04 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.55 3fka h ARG 26 CO 1.19 -0.03 0.33 -1.35 -1.51 0.00 0.00 179.97 178.61 3fka h PRO 27 N -0.22 0.58 -0.58 0.20 0.11 -1.98 -0.48 132.00 129.62 3fka h PRO 27 Ca -0.02 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.09 3fka h PRO 27 Cb 0.18 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.12 3fka h PRO 27 CO 0.02 0.38 0.34 0.00 -0.21 0.00 0.00 178.00 178.53 3fka h ALA 28 N 1.39 0.75 -0.36 -0.75 0.00 -1.96 -1.13 119.26 117.20 3fka h ALA 28 Ca 0.32 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 3fka h ALA 28 Cb 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3fka h ALA 28 CO -0.23 0.04 -0.25 -0.07 0.00 0.00 0.00 179.25 178.74 3fka h LEU 29 N 0.66 0.74 -1.32 0.00 3.38 -0.95 -2.71 115.31 115.12 3fka h LEU 29 Ca 0.24 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3fka h LEU 29 Cb 0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3fka h LEU 29 CO -0.12 0.97 -0.26 -0.33 0.09 0.00 0.00 178.44 178.78 3fka h GLU 30 N 0.63 0.00 0.00 1.13 5.08 -0.66 -1.69 114.58 119.07 3fka h GLU 30 Ca 0.08 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 3fka h GLU 30 Cb 0.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3fka h GLU 30 CO 0.06 0.26 -0.41 0.00 -1.00 0.00 0.00 179.01 177.92 3fka h ARG 31 N 0.00 0.00 -0.00 2.33 3.08 -0.90 -3.35 114.38 115.54 3fka h ARG 31 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3fka h ARG 31 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3fka h ARG 31 CO 0.03 0.41 -0.58 0.44 -1.07 0.00 0.00 179.97 179.20 3fka n ILE 32 N -3.34 0.00 -5.02 2.04 -5.35 -1.04 -4.90 119.36 101.75 3fka n ILE 32 Ca 0.01 -0.21 -0.32 0.00 -0.27 0.00 0.00 62.75 61.96 3fka n ILE 32 Cb 0.61 1.06 -0.15 0.00 -1.74 0.00 0.00 39.64 39.42 3fka n ILE 32 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3fka s PHE 33 N -2.23 2.61 0.53 4.28 0.40 -0.66 -0.14 117.98 122.76 3fka s PHE 33 Ca 0.08 -0.46 -0.21 0.00 -0.60 0.00 0.00 56.93 55.73 3fka s PHE 33 Cb 0.12 -1.65 -0.05 0.00 0.51 0.00 0.00 43.02 41.94 3fka s PHE 33 CO 0.54 -0.04 1.26 -0.06 0.70 0.00 0.00 175.22 177.61 3fka s PHE 34 N -0.31 2.52 0.59 0.36 0.08 -0.58 -4.75 117.98 115.88 3fka s PHE 34 Ca 0.02 1.46 0.29 0.00 0.12 0.00 0.00 56.93 58.82 3fka s PHE 34 Cb -0.13 -3.58 1.77 0.00 -0.57 0.00 0.00 43.02 40.52 3fka s PHE 34 CO 0.02 -2.25 2.23 0.78 -0.10 0.00 0.00 175.22 175.91 3fka h GLY 35 N 1.54 0.00 -0.40 4.36 0.00 -1.91 -1.83 103.07 104.84 3fka h GLY 35 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3fka h GLY 35 CO 0.58 0.00 -0.21 0.28 0.00 0.00 0.00 176.54 177.19 3fka n LYS 36 N -3.88 1.27 -1.84 4.80 5.02 -1.26 -4.56 118.16 117.71 3fka n LYS 36 Ca -0.02 -0.86 -0.34 0.00 -2.02 0.00 0.00 58.31 55.07 3fka n LYS 36 Cb 0.12 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 33.68 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 -2.32 2.50 0.15 7.82 0.00 -0.69 -4.94 121.76 124.27 3fka s ALA 37 Ca 0.27 0.63 0.08 0.00 0.00 0.00 0.00 51.96 52.93 3fka s ALA 37 Cb 0.20 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 3fka s ALA 37 CO 0.46 -1.21 -0.17 -1.54 0.00 0.00 0.00 175.76 173.30 3fka s SER 38 N -2.37 2.44 -0.24 0.00 1.04 -1.25 -2.96 113.70 110.36 3fka s SER 38 Ca 0.69 -0.83 -0.02 0.00 0.48 0.00 0.00 55.95 56.26 3fka s SER 38 Cb -0.22 -0.13 0.02 0.00 0.10 0.00 0.00 66.02 65.79 3fka s SER 38 CO 0.39 -0.07 -0.06 -0.70 0.98 0.00 0.00 173.24 173.78 3fka s GLU 39 N -2.70 2.98 -0.06 4.02 2.12 -0.25 -1.54 118.70 123.28 3fka s GLU 39 Ca 0.13 -0.88 0.03 0.00 0.36 0.00 0.00 54.97 54.61 3fka s GLU 39 Cb -0.06 -2.97 0.00 0.00 0.26 0.00 0.00 34.13 31.37 3fka s GLU 39 CO 0.05 -0.34 -0.16 0.08 -0.54 0.00 0.00 175.26 174.36 3fka s VAL 40 N 1.36 1.37 0.00 3.70 1.01 0.21 -0.70 120.40 127.36 3fka s VAL 40 Ca 0.02 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3fka s VAL 40 Cb -0.16 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.02 3fka s VAL 40 CO -0.05 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.06 3fka n GLY 41 N 3.43 0.20 3.76 4.51 0.00 -0.80 -1.69 105.19 114.60 3fka n GLY 41 Ca -0.20 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.59 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 3.66 -0.15 1.61 3.76 -1.26 -0.85 115.29 120.06 3fka s HIS 42 Ca 0.00 1.13 -0.05 0.00 -0.15 0.00 0.00 55.06 55.99 3fka s HIS 42 Cb 0.00 -2.57 0.08 0.00 1.11 0.00 0.00 32.58 31.20 3fka s HIS 42 CO 0.00 0.36 0.29 -0.47 -0.85 0.00 0.00 174.74 174.07 3fka s TYR 43 N -0.17 -0.49 -1.35 1.40 5.04 0.18 -4.63 117.35 117.33 3fka s TYR 43 Ca 0.29 0.97 -0.07 0.00 -2.44 0.00 0.00 57.07 55.82 3fka s TYR 43 Cb -0.18 -0.02 0.02 0.00 0.35 0.00 0.00 41.96 42.14 3fka s TYR 43 CO 0.16 -0.42 1.09 0.39 -1.34 0.00 0.00 175.55 175.42 3fka n GLU 44 N 5.35 -7.13 0.00 4.97 4.71 -1.26 -1.99 120.64 125.30 3fka n GLU 44 Ca -0.06 0.78 0.00 0.00 -0.01 0.00 0.00 57.16 57.87 3fka n GLU 44 Cb 0.50 -5.78 0.00 0.00 -1.01 0.00 0.00 31.44 25.15 3fka n GLU 44 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3fka n GLY 45 N -1.76 2.93 3.86 0.62 0.00 -1.26 -5.01 105.19 104.57 3fka n GLY 45 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.02 3.90 -0.31 1.61 2.02 -0.84 -5.04 118.70 120.02 3fka s GLU 46 Ca 0.00 0.38 -0.25 0.00 0.02 0.00 0.00 54.97 55.12 3fka s GLU 46 Cb 0.00 -2.86 0.01 0.00 0.10 0.00 0.00 34.13 31.38 3fka s GLU 46 CO 0.00 0.44 0.85 -1.17 0.02 0.00 0.00 175.26 175.41 3fka s LEU 47 N -2.20 4.06 -0.16 1.80 2.96 -1.26 -0.64 118.68 123.24 3fka s LEU 47 Ca 0.40 0.73 -0.08 0.00 -0.22 0.00 0.00 54.13 54.96 3fka s LEU 47 Cb -0.14 -3.18 -0.04 0.00 0.50 0.00 0.00 46.19 43.33 3fka s LEU 47 CO 0.20 -0.68 0.13 -0.76 -1.32 0.00 0.00 176.35 173.91 3fka s LEU 48 N 3.12 4.27 -0.40 -0.68 1.02 -0.03 -4.99 118.68 121.00 3fka s LEU 48 Ca 0.35 0.34 0.01 0.00 0.02 0.00 0.00 54.13 54.86 3fka s LEU 48 Cb -0.14 -2.07 0.13 0.00 0.02 0.00 0.00 46.19 44.14 3fka s LEU 48 CO 0.13 0.30 0.21 0.86 0.02 0.00 0.00 176.35 177.88 3fka s TRP 49 N -0.38 1.53 -0.07 0.29 -0.11 -1.26 -1.90 118.94 117.04 3fka s TRP 49 Ca 0.12 -2.09 -0.12 0.00 1.22 0.00 0.00 56.10 55.23 3fka s TRP 49 Cb -0.12 -1.55 -0.05 0.00 -1.50 0.00 0.00 33.47 30.25 3fka s TRP 49 CO 0.01 -0.81 0.29 -0.80 -4.62 0.00 0.00 176.95 171.02 3fka s ASN 50 N 0.72 6.60 0.95 5.86 0.01 0.12 -4.94 114.94 124.26 3fka s ASN 50 Ca 0.17 0.72 -0.13 0.00 -0.71 0.00 0.00 52.86 52.90 3fka s ASN 50 Cb -0.23 -2.17 0.16 0.00 0.41 0.00 0.00 41.25 39.42 3fka s ASN 50 CO -0.02 0.34 1.14 -0.94 -1.51 0.00 0.00 177.10 176.11 3fka s SER 51 N -0.89 3.14 0.17 -1.22 1.04 -1.26 -1.09 113.70 113.58 3fka s SER 51 Ca 0.19 0.90 -0.14 0.00 0.48 0.00 0.00 55.95 57.39 3fka s SER 51 Cb -0.14 -1.42 0.06 0.00 0.10 0.00 0.00 66.02 64.62 3fka s SER 51 CO 0.09 -2.78 1.81 -0.09 0.98 0.00 0.00 173.24 173.25 3fka h ARG 52 N -1.66 0.72 -0.57 4.02 2.43 -1.77 -0.47 114.38 117.08 3fka h ARG 52 Ca -0.50 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 58.65 3fka h ARG 52 Cb 1.32 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.67 3fka h ARG 52 CO 0.57 0.52 0.32 0.22 -1.51 0.00 0.00 179.97 180.09 3fka h ASP 53 N 0.72 0.48 -0.17 -3.80 3.58 -1.91 -0.42 116.42 114.90 3fka h ASP 53 Ca 0.19 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 3fka h ASP 53 Cb -0.02 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 3fka h ASP 53 CO -0.04 0.32 0.01 0.00 -2.88 0.00 0.00 179.24 176.66 3fka h ALA 54 N 1.29 0.23 -0.23 -0.78 0.00 -1.85 -0.53 119.26 117.39 3fka h ALA 54 Ca 0.25 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3fka h ALA 54 Cb 0.12 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3fka h ALA 54 CO -0.15 -0.08 -0.06 0.35 0.00 0.00 0.00 179.25 179.31 3fka h PHE 55 N 0.05 -0.14 -0.38 0.00 3.57 -0.89 -2.61 116.94 116.56 3fka h PHE 55 Ca 0.05 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3fka h PHE 55 Cb 0.35 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 3fka h PHE 55 CO 0.03 -0.11 0.19 0.82 -2.23 0.00 0.00 178.31 177.01 3fka h ILE 56 N -0.01 1.16 0.00 1.41 2.04 -0.98 -2.44 117.51 118.69 3fka h ILE 56 Ca 0.11 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3fka h ILE 56 Cb 0.18 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3fka h ILE 56 CO -0.24 0.17 0.00 0.00 0.00 0.00 0.00 178.15 178.07 3fka n ALA 57 N -2.26 0.85 0.00 1.87 0.00 -0.21 -0.70 120.51 120.05 3fka n ALA 57 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3fka n ALA 57 Cb 0.10 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 0.99 -0.59 0.00 5.08 -1.18 -0.38 114.58 118.48 3fka h GLU 60 Ca 0.00 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 3fka h GLU 60 Cb 0.00 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 3fka h GLU 60 CO 0.00 0.75 0.10 -0.44 -1.00 0.00 0.00 179.01 178.42 3fka h ASP 61 N 0.97 0.90 -0.47 1.42 3.32 -1.52 -2.93 116.42 118.11 3fka h ASP 61 Ca 0.25 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3fka h ASP 61 Cb 0.06 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.37 3fka h ASP 61 CO -0.04 0.90 0.00 0.00 -1.72 0.00 0.00 179.24 178.39 3fka n ALA 62 N -2.47 2.43 -1.64 3.45 0.00 -1.12 -5.03 120.51 116.14 3fka n ALA 62 Ca 0.04 -0.93 -0.41 0.00 0.00 0.00 0.00 53.44 52.14 3fka n ALA 62 Cb 0.27 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 18.77 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 1.11 0.51 -3.68 0.00 0.00 -0.17 -4.97 120.51 113.32 3fka n ALA 63 Ca 0.19 0.24 -0.19 0.00 0.00 0.00 0.00 53.44 53.68 3fka n ALA 63 Cb 0.48 -2.14 -0.17 0.00 0.00 0.00 0.00 19.45 17.62 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 -0.68 0.96 0.00 0.00 -1.08 -0.21 -4.99 116.67 110.67 3fka s ASP 64 Ca 0.63 0.10 0.28 0.00 -0.52 0.00 0.00 52.55 53.04 3fka s ASP 64 Cb -0.54 -0.08 1.10 0.00 -1.46 0.00 0.00 42.92 41.93 3fka s ASP 64 CO 0.57 -0.23 1.83 0.00 0.52 0.00 0.00 175.17 177.85 3fka n ALA 65 N 5.16 2.59 -0.04 3.66 0.00 -1.26 -4.06 120.51 126.56 3fka n ALA 65 Ca -0.06 -0.16 -0.05 0.00 0.00 0.00 0.00 53.44 53.17 3fka n ALA 65 Cb 0.50 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.49 3fka n ALA 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3fka n GLU 66 N -1.48 2.03 -2.09 0.00 -0.58 -1.26 -5.04 120.64 112.23 3fka n GLU 66 Ca 0.07 0.01 -0.41 0.00 -0.42 0.00 0.00 57.16 56.42 3fka n GLU 66 Cb 0.33 -1.21 -0.02 0.00 -0.57 0.00 0.00 31.44 29.98 3fka n GLU 66 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3fka s THR 67 N -2.20 2.69 -0.32 2.62 -1.32 -1.26 -4.99 115.64 110.86 3fka s THR 67 Ca -0.07 0.67 -0.16 0.00 -1.21 0.00 0.00 61.69 60.92 3fka s THR 67 Cb 0.03 -3.43 -0.02 0.00 -1.51 0.00 0.00 72.50 67.57 3fka s THR 67 CO 0.31 0.15 0.41 -1.81 -2.21 0.00 0.00 174.62 171.47 3fka s ASP 68 N -0.31 6.25 0.57 8.08 1.01 -1.26 -4.99 116.67 126.02 3fka s ASP 68 Ca 0.51 0.00 -0.19 0.00 0.71 0.00 0.00 52.55 53.58 3fka s ASP 68 Cb -0.40 -2.22 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 3fka s ASP 68 CO 0.52 -0.33 1.16 -2.16 0.21 0.00 0.00 175.17 174.56 3fka s PRO 69 N 2.15 3.15 -0.22 8.23 0.04 -1.26 -5.01 135.00 142.09 3fka s PRO 69 Ca 0.15 1.69 -0.07 0.00 0.04 0.00 0.00 61.00 62.81 3fka s PRO 69 Cb -0.16 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 3fka s PRO 69 CO 0.12 -1.03 0.06 -0.06 0.04 0.00 0.00 177.00 176.13 3fka s PHE 70 N -1.73 3.12 0.24 0.56 2.99 -1.26 -5.06 117.98 116.84 3fka s PHE 70 Ca 0.74 -0.27 -0.20 0.00 0.00 0.00 0.00 56.93 57.21 3fka s PHE 70 Cb -0.26 -2.17 0.03 0.00 0.00 0.00 0.00 43.02 40.61 3fka s PHE 70 CO 0.30 -0.19 0.63 1.67 -0.00 0.00 0.00 175.22 177.64 3fka s TRP 71 N 1.16 -0.16 -0.10 0.36 1.48 -1.26 -2.03 118.94 118.39 3fka s TRP 71 Ca 0.04 -0.23 -0.24 0.00 -1.06 0.00 0.00 56.10 54.61 3fka s TRP 71 Cb -0.14 0.56 0.06 0.00 -1.16 0.00 0.00 33.47 32.78 3fka s TRP 71 CO 0.03 -1.09 0.57 0.00 -4.06 0.00 0.00 176.95 172.41 3fka s ALA 72 N -3.90 -1.46 -0.45 2.67 0.00 -0.14 -4.98 121.76 113.50 3fka s ALA 72 Ca 0.11 1.24 -0.19 0.00 0.00 0.00 0.00 51.96 53.12 3fka s ALA 72 Cb -0.04 -0.33 0.03 0.00 0.00 0.00 0.00 23.12 22.78 3fka s ALA 72 CO 0.02 -0.32 0.55 0.42 0.00 0.00 0.00 175.76 176.43 3fka s ILE 73 N -0.68 4.96 0.03 0.00 1.01 -1.26 -0.75 121.20 124.50 3fka s ILE 73 Ca -0.08 -0.26 0.10 0.00 0.00 0.00 0.00 60.65 60.42 3fka s ILE 73 Cb -0.03 -4.16 -0.22 0.00 0.01 0.00 0.00 42.46 38.07 3fka s ILE 73 CO 0.06 -0.58 0.96 0.28 0.00 0.00 0.00 174.94 175.66 3fka h SER 74 N 8.84 0.00 -4.69 3.58 0.02 -1.00 -3.48 113.55 116.82 3fka h SER 74 Ca -0.26 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.66 3fka h SER 74 Cb 1.10 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.44 3fka h SER 74 CO 0.87 0.99 0.25 -0.94 -1.14 0.00 0.00 176.83 176.86 3fka s SER 75 N -6.37 -0.61 -0.05 3.07 1.04 -1.05 -4.95 113.70 104.77 3fka s SER 75 Ca -0.02 0.75 -0.02 0.00 0.48 0.00 0.00 55.95 57.14 3fka s SER 75 Cb 0.09 0.61 0.04 0.00 0.10 0.00 0.00 66.02 66.85 3fka s SER 75 CO 0.82 -0.51 0.09 0.54 0.98 0.00 0.00 173.24 175.16 3fka s VAL 76 N -0.97 -0.06 -0.02 5.02 0.11 -1.26 -0.91 120.40 122.30 3fka s VAL 76 Ca -0.08 0.21 0.04 0.00 -2.93 0.00 0.00 61.98 59.22 3fka s VAL 76 Cb -0.01 -0.17 -0.01 0.00 -1.53 0.00 0.00 36.38 34.67 3fka s VAL 76 CO 0.07 0.09 -0.13 -0.44 -3.33 0.00 0.00 175.10 171.36 3fka s SER 77 N 1.22 1.64 -0.03 3.54 0.01 -1.26 -5.02 113.70 113.81 3fka s SER 77 Ca -0.08 -0.26 0.02 0.00 1.31 0.00 0.00 55.95 56.94 3fka s SER 77 Cb -0.12 -0.32 0.01 0.00 0.21 0.00 0.00 66.02 65.80 3fka s SER 77 CO -0.05 0.14 -0.06 -0.69 0.41 0.00 0.00 173.24 172.99 3fka s VAL 78 N -0.10 0.57 -0.25 3.43 1.01 -1.26 -4.25 120.40 119.56 3fka s VAL 78 Ca 0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 3fka s VAL 78 Cb -0.08 -0.55 0.08 0.00 0.00 0.00 0.00 36.38 35.84 3fka s VAL 78 CO 0.00 0.20 0.10 -1.10 0.00 0.00 0.00 175.10 174.31 3fka s GLN 79 N 0.45 0.26 7.50 2.72 -1.52 -0.37 -5.02 119.66 123.68 3fka s GLN 79 Ca -0.06 -0.45 0.00 0.00 -1.95 0.00 0.00 55.36 52.90 3fka s GLN 79 Cb -0.10 -1.56 0.00 0.00 -0.22 0.00 0.00 33.01 31.13 3fka s GLN 79 CO 0.00 -0.87 0.00 0.41 -0.25 0.00 0.00 175.29 174.58 3fka n GLY 80 N 5.19 4.26 1.50 3.09 0.00 -1.26 -1.65 105.19 116.32 3fka n GLY 80 Ca -0.06 0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.20 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 8.51 4.45 -4.33 1.61 5.68 -1.26 -4.90 116.55 126.31 3fka n ASP 81 Ca 0.00 -2.53 -0.25 0.00 -0.50 0.00 0.00 54.79 51.51 3fka n ASP 81 Cb 0.00 -0.58 -0.12 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 -2.07 1.89 0.00 2.12 -4.36 -0.66 -0.54 121.20 117.58 3fka s ILE 82 Ca 0.44 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 59.13 3fka s ILE 82 Cb 0.31 -1.74 0.00 0.00 1.25 0.00 0.00 42.46 42.27 3fka s ILE 82 CO 0.18 -0.09 0.00 0.00 0.24 0.00 0.00 174.94 175.27 3fka n ALA 83 N 0.83 0.00 0.00 2.27 0.00 -0.38 -1.24 120.51 121.99 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 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -4.14 0.00 4.77 0.24 -0.63 117.00 117.25 3fka n LEU 85 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 3fka n LEU 85 Cb 0.00 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.94 3fka n LEU 85 CO 0.00 0.00 -0.45 -2.28 -1.33 0.00 0.00 177.39 173.33 3fka s HIS 86 N -1.15 3.07 -0.09 -1.77 5.65 -0.09 -0.85 115.29 120.06 3fka s HIS 86 Ca 0.00 -1.83 0.04 0.00 0.25 0.00 0.00 55.06 53.52 3fka s HIS 86 Cb 0.00 -1.99 -0.01 0.00 -1.18 0.00 0.00 32.58 29.41 3fka s HIS 86 CO 0.00 -0.80 -0.23 0.08 -0.65 0.00 0.00 174.74 173.14 3fka s VAL 87 N 1.24 2.21 -0.18 0.89 1.01 -0.39 -0.27 120.40 124.92 3fka s VAL 87 Ca -0.02 -0.98 -0.13 0.00 0.00 0.00 0.00 61.98 60.86 3fka s VAL 87 Cb -0.17 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 3fka s VAL 87 CO -0.07 0.56 0.25 -1.61 0.00 0.00 0.00 175.10 174.23 3fka s GLU 88 N 0.16 4.22 -0.07 2.72 2.02 0.07 -0.39 118.70 127.43 3fka s GLU 88 Ca -0.13 -0.00 -0.17 0.00 0.02 0.00 0.00 54.97 54.69 3fka s GLU 88 Cb -0.16 -3.44 0.04 0.00 0.10 0.00 0.00 34.13 30.66 3fka s GLU 88 CO 0.07 0.22 0.41 1.21 0.02 0.00 0.00 175.26 177.19 3fka s ASN 89 N 0.53 -0.36 -0.13 -0.19 2.47 -0.54 -0.97 114.94 115.76 3fka s ASN 89 Ca 0.14 0.47 -0.07 0.00 0.42 0.00 0.00 52.86 53.82 3fka s ASN 89 Cb -0.13 0.56 -0.04 0.00 -1.45 0.00 0.00 41.25 40.19 3fka s ASN 89 CO 0.03 -0.36 0.12 -1.81 -3.72 0.00 0.00 177.10 171.35 3fka s ASP 90 N -0.74 6.22 -0.23 -4.21 1.01 -0.86 -0.15 116.67 117.72 3fka s ASP 90 Ca -0.08 0.39 -0.16 0.00 0.71 0.00 0.00 52.55 53.41 3fka s ASP 90 Cb -0.04 -2.01 0.07 0.00 1.01 0.00 0.00 42.92 41.95 3fka s ASP 90 CO 0.04 0.37 0.58 0.86 0.21 0.00 0.00 175.17 177.22 3fka s TRP 91 N -0.78 -0.77 -1.45 4.23 -0.00 -1.26 -4.71 118.94 114.20 3fka s TRP 91 Ca 0.13 1.69 -0.13 0.00 -0.00 0.00 0.00 56.10 57.80 3fka s TRP 91 Cb -0.12 0.37 0.10 0.00 -0.00 0.00 0.00 33.47 33.82 3fka s TRP 91 CO 0.03 -0.39 0.66 0.00 -0.00 0.00 0.00 176.95 177.25 3fka n ALA 92 N 3.63 -1.15 -2.13 5.86 0.00 -1.26 -4.72 120.51 120.74 3fka n ALA 92 Ca -0.18 0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.31 3fka n ALA 92 Cb 0.57 -3.30 0.02 0.00 0.00 0.00 0.00 19.45 16.73 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 -1.33 0.36 2.79 0.00 0.00 -1.26 -5.23 105.19 100.52 3fka n GLY 93 Ca 0.02 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.93 -0.02 0.22 1.61 3.52 -1.26 -5.17 118.95 113.92 3fka s ARG 95 Ca 0.03 0.23 0.11 0.00 -0.13 0.00 0.00 55.73 55.98 3fka s ARG 95 Cb -0.00 -0.25 -0.05 0.00 -1.56 0.00 0.00 34.95 33.09 3fka s ARG 95 CO 0.14 -0.18 -0.22 -0.06 -0.81 0.00 0.00 175.30 174.18 3fka s PHE 96 N 1.15 2.24 -0.21 5.12 0.40 0.79 -1.08 117.98 126.39 3fka s PHE 96 Ca -0.08 -0.36 -0.01 0.00 -0.60 0.00 0.00 56.93 55.87 3fka s PHE 96 Cb -0.13 -1.06 0.01 0.00 0.51 0.00 0.00 43.02 42.36 3fka s PHE 96 CO -0.04 0.55 -0.11 -0.51 0.70 0.00 0.00 175.22 175.82 3fka s ASP 97 N -2.97 3.85 -0.17 1.36 1.01 -0.68 -1.46 116.67 117.61 3fka s ASP 97 Ca 0.23 -0.63 -0.05 0.00 0.71 0.00 0.00 52.55 52.81 3fka s ASP 97 Cb -0.07 -1.62 -0.03 0.00 1.01 0.00 0.00 42.92 42.22 3fka s ASP 97 CO 0.11 -0.04 -0.00 -1.81 0.21 0.00 0.00 175.17 173.64 3fka s ASP 98 N 1.36 5.04 -0.33 0.27 1.01 0.48 -1.60 116.67 122.90 3fka s ASP 98 Ca 0.04 -0.09 -0.06 0.00 0.71 0.00 0.00 52.55 53.15 3fka s ASP 98 Cb -0.14 -1.84 0.04 0.00 1.01 0.00 0.00 42.92 41.98 3fka s ASP 98 CO -0.07 0.15 0.09 -0.36 0.21 0.00 0.00 175.17 175.18 3fka s PHE 99 N 0.52 3.25 -0.10 4.23 0.08 0.90 -1.26 117.98 125.60 3fka s PHE 99 Ca -0.01 -1.47 0.00 0.00 0.12 0.00 0.00 56.93 55.58 3fka s PHE 99 Cb -0.14 -2.25 -0.02 0.00 -0.57 0.00 0.00 43.02 40.04 3fka s PHE 99 CO 0.02 -0.73 -0.10 -0.51 -0.10 0.00 0.00 175.22 173.80 3fka s LEU 100 N 1.39 2.95 -0.09 -0.37 1.43 -0.03 -1.30 118.68 122.66 3fka s LEU 100 Ca -0.02 -0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 52.91 3fka s LEU 100 Cb -0.19 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 3fka s LEU 100 CO 0.02 0.27 -0.08 0.42 0.23 0.00 0.00 176.35 177.21 3fka s THR 101 N -0.25 3.60 0.08 5.49 -4.23 -0.35 -0.59 115.64 119.38 3fka s THR 101 Ca 0.02 -0.50 0.05 0.00 -1.18 0.00 0.00 61.69 60.09 3fka s THR 101 Cb -0.13 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.19 3fka s THR 101 CO 0.03 0.57 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.84 3fka s VAL 102 N -0.40 1.14 -0.04 2.29 1.01 0.20 -0.48 120.40 124.13 3fka s VAL 102 Ca 0.06 -1.37 0.03 0.00 0.00 0.00 0.00 61.98 60.69 3fka s VAL 102 Cb -0.12 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.11 3fka s VAL 102 CO 0.02 -0.26 -0.13 -0.22 0.00 0.00 0.00 175.10 174.52 3fka s LEU 103 N -1.85 1.79 -0.44 3.92 2.96 -0.18 -1.25 118.68 123.62 3fka s LEU 103 Ca -0.00 -0.27 -0.27 0.00 -0.22 0.00 0.00 54.13 53.37 3fka s LEU 103 Cb -0.09 -0.76 0.03 0.00 0.50 0.00 0.00 46.19 45.87 3fka s LEU 103 CO 0.02 0.09 1.00 -0.22 -1.32 0.00 0.00 176.35 175.92 3fka s LEU 104 N 0.26 3.88 -0.07 -0.68 2.96 0.30 -1.21 118.68 124.12 3fka s LEU 104 Ca -0.06 0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 54.20 3fka s LEU 104 Cb -0.11 -3.34 0.03 0.00 0.50 0.00 0.00 46.19 43.26 3fka s LEU 104 CO 0.02 -1.07 -0.02 -2.28 -1.32 0.00 0.00 176.35 171.67 3fka s HIS 105 N 3.93 0.78 -1.28 5.38 5.65 -0.57 -4.85 115.29 124.33 3fka s HIS 105 Ca 0.41 -0.24 -0.01 0.00 0.25 0.00 0.00 55.06 55.47 3fka s HIS 105 Cb -0.10 -0.80 0.00 0.00 -1.18 0.00 0.00 32.58 30.51 3fka s HIS 105 CO 0.26 -0.30 0.81 0.39 -0.65 0.00 0.00 174.74 175.26 3fka n GLU 106 N 4.73 -5.54 0.00 2.88 -0.58 -1.26 -2.90 120.64 117.96 3fka n GLU 106 Ca -0.14 0.70 0.00 0.00 -0.42 0.00 0.00 57.16 57.30 3fka n GLU 106 Cb 0.50 -5.42 0.00 0.00 -0.57 0.00 0.00 31.44 25.95 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 -1.45 2.76 3.08 0.62 0.00 -1.26 -5.03 105.19 103.91 3fka n GLY 107 Ca -0.28 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 0.83 -0.03 1.61 1.04 -1.14 -5.12 113.70 108.88 3fka s SER 108 Ca 0.00 -0.65 -0.30 0.00 0.48 0.00 0.00 55.95 55.48 3fka s SER 108 Cb 0.00 0.06 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 3fka s SER 108 CO 0.00 -0.28 1.06 0.26 0.98 0.00 0.00 173.24 175.26 3fka s TRP 109 N -1.94 3.49 -0.03 5.02 0.52 -1.26 -1.51 118.94 123.24 3fka s TRP 109 Ca -0.06 1.52 0.05 0.00 0.02 0.00 0.00 56.10 57.63 3fka s TRP 109 Cb -0.06 -3.24 -0.01 0.00 -1.15 0.00 0.00 33.47 29.01 3fka s TRP 109 CO -0.01 -0.51 -0.16 1.03 0.02 0.00 0.00 176.95 177.31 3fka s ARG 110 N 1.56 1.51 -0.02 4.98 3.00 -0.35 -4.84 118.95 124.78 3fka s ARG 110 Ca 0.53 -0.59 -0.30 0.00 0.00 0.00 0.00 55.73 55.37 3fka s ARG 110 Cb -0.22 -1.39 -0.04 0.00 0.00 0.00 0.00 34.95 33.30 3fka s ARG 110 CO 0.24 0.30 1.24 0.42 0.00 0.00 0.00 175.30 177.50 3fka s ILE 111 N -0.18 4.11 -0.13 1.52 1.01 0.80 -1.02 121.20 127.30 3fka s ILE 111 Ca 0.02 1.46 -0.05 0.00 0.00 0.00 0.00 60.65 62.08 3fka s ILE 111 Cb -0.09 -3.94 -0.25 0.00 0.01 0.00 0.00 42.46 38.19 3fka s ILE 111 CO 0.01 0.02 0.31 0.52 0.00 0.00 0.00 174.94 175.80 3fka n VAL 112 N 4.51 1.75 -3.78 2.92 0.31 0.37 -1.53 118.33 122.88 3fka n VAL 112 Ca 0.11 -0.65 -0.13 0.00 -0.01 0.00 0.00 64.34 63.66 3fka n VAL 112 Cb 0.46 -1.68 -0.11 0.00 -0.91 0.00 0.00 33.84 31.60 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 -6.96 -0.28 -0.10 4.52 0.15 -1.13 -3.84 113.70 106.06 3fka s SER 113 Ca -0.23 0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.92 3fka s SER 113 Cb 0.07 0.55 0.02 0.00 -1.71 0.00 0.00 66.02 64.95 3fka s SER 113 CO 0.75 -0.15 -0.09 -0.75 1.20 0.00 0.00 173.24 174.21 3fka s LYS 114 N -0.06 1.57 -0.01 5.44 2.20 -0.59 -1.22 119.74 127.07 3fka s LYS 114 Ca -0.02 -0.29 0.07 0.00 -0.36 0.00 0.00 55.97 55.36 3fka s LYS 114 Cb -0.03 -1.54 -0.02 0.00 -1.51 0.00 0.00 37.83 34.74 3fka s LYS 114 CO 0.01 -0.20 -0.22 0.08 -0.36 0.00 0.00 175.35 174.66 3fka s VAL 115 N 1.45 1.73 0.15 4.02 1.01 -0.42 -0.62 120.40 127.72 3fka s VAL 115 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.01 3fka s VAL 115 Cb -0.13 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 3fka s VAL 115 CO -0.05 0.45 0.03 -0.72 0.00 0.00 0.00 175.10 174.81 3fka s TYR 116 N -0.55 1.03 -0.01 5.22 -0.85 -0.68 -0.07 117.35 121.44 3fka s TYR 116 Ca 0.08 -1.12 -0.03 0.00 -0.52 0.00 0.00 57.07 55.48 3fka s TYR 116 Cb -0.08 -0.59 -0.00 0.00 0.38 0.00 0.00 41.96 41.67 3fka s TYR 116 CO -0.00 -0.36 0.07 -0.98 -1.52 0.00 0.00 175.55 172.75 3fka s ARG 117 N -3.98 0.27 -0.18 -3.49 1.04 -0.63 -4.27 118.95 107.71 3fka s ARG 117 Ca 0.24 -0.24 -0.13 0.00 -1.04 0.00 0.00 55.73 54.56 3fka s ARG 117 Cb 0.07 0.11 -0.05 0.00 -2.04 0.00 0.00 34.95 33.04 3fka s ARG 117 CO 0.03 -0.05 0.25 0.42 -0.04 0.00 0.00 175.30 175.90 3fka s ILE 118 N -0.80 5.33 -2.00 4.99 1.01 -1.26 -1.68 121.20 126.78 3fka s ILE 118 Ca -0.09 0.44 0.29 0.00 0.00 0.00 0.00 60.65 61.29 3fka s ILE 118 Cb -0.05 -3.59 0.84 0.00 0.01 0.00 0.00 42.46 39.66 3fka s ILE 118 CO 0.00 0.38 2.09 0.54 0.00 0.00 0.00 174.94 177.95