#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1g s ALA 20 N 0.00 -2.99 0.07 3.14 0.00 -1.26 -5.14 121.76 115.58 3f1g s ALA 20 Ca 0.00 1.21 -0.31 0.00 0.00 0.00 0.00 51.96 52.86 3f1g s ALA 20 Cb 0.00 -2.63 -0.07 0.00 0.00 0.00 0.00 23.12 20.42 3f1g s ALA 20 CO 0.00 -1.89 1.48 0.15 0.00 0.00 0.00 175.76 175.50 3f1g s LYS 21 N 2.88 4.26 0.56 0.00 -0.14 -1.26 -4.89 119.74 121.16 3f1g s LYS 21 Ca 0.16 2.14 0.34 0.00 -1.36 0.00 0.00 55.97 57.25 3f1g s LYS 21 Cb -0.07 -3.43 1.60 0.00 -1.68 0.00 0.00 37.83 34.24 3f1g s LYS 21 CO -0.24 -0.58 2.08 0.28 -0.76 0.00 0.00 175.35 176.13 3f1g h VAL 22 N 4.59 0.20 -0.34 3.17 2.07 -1.49 -0.50 116.25 123.94 3f1g h VAL 22 Ca -0.41 -0.46 -0.16 0.00 0.82 0.00 0.00 66.70 66.50 3f1g h VAL 22 Cb 1.20 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 3f1g h VAL 22 CO 0.90 0.05 -0.40 0.50 0.02 0.00 0.00 177.57 178.64 3f1g h LYS 23 N 0.00 0.85 0.00 1.57 3.64 -1.56 -3.08 116.57 117.98 3f1g h LYS 23 Ca -0.00 -0.45 -0.08 0.00 -1.27 0.00 0.00 60.65 58.85 3f1g h LYS 23 Cb 0.37 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3f1g h LYS 23 CO 0.01 1.09 -0.40 0.00 -2.27 0.00 0.00 179.45 177.87 3f1g h ALA 24 N 0.85 1.01 -0.02 5.00 0.00 -1.39 -3.07 119.26 121.63 3f1g h ALA 24 Ca 0.05 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 3f1g h ALA 24 Cb 0.98 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3f1g h ALA 24 CO 0.09 0.50 -0.32 1.15 0.00 0.00 0.00 179.25 180.68 3f1g h THR 25 N 0.00 1.24 -1.91 0.00 2.02 -1.21 -3.45 112.91 109.59 3f1g h THR 25 Ca -0.00 -1.12 -0.51 0.00 0.77 0.00 0.00 66.41 65.54 3f1g h THR 25 Cb 0.91 1.58 -0.05 0.00 -1.74 0.00 0.00 68.15 68.84 3f1g h THR 25 CO 0.05 0.32 -0.49 -0.76 0.37 0.00 0.00 175.52 175.01 3f1g s LEU 26 N -8.33 3.50 0.00 2.58 1.43 -1.16 -5.11 118.68 111.58 3f1g s LEU 26 Ca -0.03 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 3f1g s LEU 26 Cb 0.15 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.31 3f1g s LEU 26 CO 0.72 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.63 3f1g n GLY 27 N -1.26 0.88 3.76 -3.19 0.00 -1.26 -4.95 105.19 99.17 3f1g n GLY 27 Ca -0.03 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 43.93 3f1g n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3f1g s GLU 28 N 1.25 3.55 -0.06 1.61 2.12 -1.26 -5.02 118.70 120.88 3f1g s GLU 28 Ca 0.00 1.97 -0.29 0.00 0.36 0.00 0.00 54.97 57.01 3f1g s GLU 28 Cb 0.00 -2.38 0.11 0.00 0.26 0.00 0.00 34.13 32.12 3f1g s GLU 28 CO 0.00 -0.78 0.90 -0.59 -0.54 0.00 0.00 175.26 174.24 3f1g s PHE 29 N -1.43 -0.39 -0.28 5.30 -0.12 -1.26 -5.13 117.98 114.66 3f1g s PHE 29 Ca 0.66 0.44 -0.25 0.00 -0.05 0.00 0.00 56.93 57.73 3f1g s PHE 29 Cb -0.34 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.55 3f1g s PHE 29 CO 0.41 -0.49 0.87 0.34 -0.05 0.00 0.00 175.22 176.29 3f1g s ASP 30 N -1.91 6.79 -0.48 1.98 2.15 -1.26 -4.94 116.67 119.01 3f1g s ASP 30 Ca 0.01 0.89 -0.01 0.00 0.43 0.00 0.00 52.55 53.87 3f1g s ASP 30 Cb -0.01 -2.45 0.33 0.00 -0.30 0.00 0.00 42.92 40.50 3f1g s ASP 30 CO -0.04 -0.64 2.01 0.00 -0.17 0.00 0.00 175.17 176.34 3f1g n LEU 31 N 6.27 7.02 0.00 -1.34 -0.00 -1.26 -3.49 117.00 124.20 3f1g n LEU 31 Ca 0.06 -3.75 0.00 0.00 -0.00 0.00 0.00 56.01 52.33 3f1g n LEU 31 Cb 0.48 -1.01 0.00 0.00 -0.00 0.00 0.00 43.42 42.89 3f1g n LEU 31 CO 0.51 1.33 0.00 0.54 -0.00 0.00 0.00 177.39 179.77 3f1g n ARG 32 N -0.28 0.00 -2.52 1.47 1.74 -1.26 -4.31 116.66 111.50 3f1g n ARG 32 Ca 0.46 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 57.13 3f1g n ARG 32 Cb 0.65 -0.36 -0.03 0.00 -1.02 0.00 0.00 32.46 31.70 3f1g n ARG 32 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3f1g s ASP 33 N 0.00 6.19 0.00 0.55 3.68 -1.23 -4.87 116.67 120.99 3f1g s ASP 33 Ca 0.00 -0.21 0.00 0.00 2.13 0.00 0.00 52.55 54.47 3f1g s ASP 33 Cb 0.00 -2.56 0.00 0.00 -1.45 0.00 0.00 42.92 38.91 3f1g s ASP 33 CO 0.00 -1.76 0.90 0.00 0.13 0.00 0.00 175.17 174.44 3f1g n TYR 34 N 9.31 0.00 0.00 -5.34 0.18 -1.26 -3.76 117.16 116.29 3f1g n TYR 34 Ca 0.06 -0.45 0.00 0.00 1.88 0.00 0.00 57.90 59.39 3f1g n TYR 34 Cb 0.49 -0.24 0.00 0.00 -0.38 0.00 0.00 39.34 39.21 3f1g n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3f1g n ARG 35 N 0.61 0.10 -0.22 -3.48 1.74 -1.26 -4.42 116.66 109.73 3f1g n ARG 35 Ca 0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 3f1g n ARG 35 Cb 0.43 -0.54 -0.01 0.00 -1.02 0.00 0.00 32.46 31.33 3f1g n ARG 35 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3f1g n ASN 36 N -1.29 1.47 -0.22 0.55 6.94 -1.25 -4.66 115.26 116.81 3f1g n ASN 36 Ca 0.00 -2.08 0.19 0.00 -0.02 0.00 0.00 54.58 52.67 3f1g n ASN 36 Cb 0.04 -0.66 0.35 0.00 -2.36 0.00 0.00 39.78 37.15 3f1g n ASN 36 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 3f1g n VAL 37 N 4.67 -0.28 -0.18 3.53 0.24 -1.26 -0.09 118.33 124.95 3f1g n VAL 37 Ca 0.13 1.39 -0.01 0.00 -2.04 0.00 0.00 64.34 63.81 3f1g n VAL 37 Cb 0.05 -2.19 0.09 0.00 -1.47 0.00 0.00 33.84 30.31 3f1g n VAL 37 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3f1g h GLU 38 N 0.00 0.30 0.10 7.34 3.07 -1.99 0.97 114.58 124.37 3f1g h GLU 38 Ca 0.53 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.36 3f1g h GLU 38 Cb 1.34 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 3f1g h GLU 38 CO -0.54 0.20 -0.05 0.28 -1.40 0.00 0.00 179.01 177.50 3f1g h VAL 39 N 0.31 0.00 -0.75 3.13 2.07 -0.89 -3.30 116.25 116.82 3f1g h VAL 39 Ca 0.28 -0.03 0.15 0.00 0.82 0.00 0.00 66.70 67.93 3f1g h VAL 39 Cb 0.38 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.01 3f1g h VAL 39 CO -0.33 0.00 -0.19 -0.07 0.02 0.00 0.00 177.57 177.00 3f1g h LEU 40 N -0.16 -0.72 -1.93 2.57 3.38 -1.40 0.40 115.31 117.45 3f1g h LEU 40 Ca -0.01 0.23 0.27 0.00 0.09 0.00 0.00 57.88 58.45 3f1g h LEU 40 Cb 0.10 0.47 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3f1g h LEU 40 CO 0.02 -0.25 0.73 0.50 0.09 0.00 0.00 178.44 179.53 3f1g h LYS 41 N -0.01 0.00 -0.11 1.13 3.64 0.88 -1.08 116.57 121.02 3f1g h LYS 41 Ca 0.36 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.61 3f1g h LYS 41 Cb 0.55 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3f1g h LYS 41 CO -0.77 0.00 -0.47 -0.09 -2.27 0.00 0.00 179.45 175.85 3f1g h ARG 42 N 0.00 0.26 -0.99 1.90 2.43 -0.99 -2.96 114.38 114.03 3f1g h ARG 42 Ca 0.44 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 3f1g h ARG 42 Cb 1.89 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 31.44 3f1g h ARG 42 CO -0.00 0.68 0.00 1.19 -1.51 0.00 0.00 179.97 180.33 3f1g n PHE 43 N -3.98 0.05 -0.02 2.20 3.01 -0.41 -4.27 117.46 114.04 3f1g n PHE 43 Ca -0.02 -0.02 0.06 0.00 1.01 0.00 0.00 57.45 58.48 3f1g n PHE 43 Cb 0.53 -0.11 -0.14 0.00 -0.01 0.00 0.00 39.48 39.75 3f1g n PHE 43 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 3f1g n LEU 44 N 0.02 0.00 -1.36 4.37 7.94 -1.12 -2.14 117.00 124.71 3f1g n LEU 44 Ca 0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 3f1g n LEU 44 Cb 0.27 0.08 0.00 0.00 0.53 0.00 0.00 43.42 44.31 3f1g n LEU 44 CO 0.01 0.08 -0.39 -1.54 -1.11 0.00 0.00 177.39 174.44 3f1g n SER 45 N -2.24 -7.49 -2.66 1.96 3.41 -1.26 -2.96 113.62 102.39 3f1g n SER 45 Ca -0.08 1.13 -0.16 0.00 -0.26 0.00 0.00 58.87 59.49 3f1g n SER 45 Cb 0.59 -4.00 -0.07 0.00 -0.26 0.00 0.00 64.21 60.47 3f1g n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3f1g n GLU 46 N -1.08 1.85 0.00 4.33 -0.58 -1.26 -1.47 120.64 122.43 3f1g n GLU 46 Ca 0.00 -1.11 0.00 0.00 -0.42 0.00 0.00 57.16 55.63 3f1g n GLU 46 Cb 0.04 -2.16 0.00 0.00 -0.57 0.00 0.00 31.44 28.76 3f1g n GLU 46 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3f1g n THR 47 N 3.33 0.00 0.00 2.62 -1.04 -1.26 -4.74 114.28 113.19 3f1g n THR 47 Ca 0.39 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.40 3f1g n THR 47 Cb 0.39 0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 3f1g n THR 47 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3f1g n GLY 48 N 0.00 2.75 3.63 3.41 0.00 -0.54 -1.56 105.19 112.88 3f1g n GLY 48 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3f1g n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f1g n LYS 49 N -0.55 1.64 -1.91 1.61 4.76 -1.16 -4.83 118.16 117.71 3f1g n LYS 49 Ca 0.00 0.58 -0.42 0.00 -2.87 0.00 0.00 58.31 55.60 3f1g n LYS 49 Cb 0.00 -2.07 -0.03 0.00 -1.84 0.00 0.00 35.03 31.09 3f1g n LYS 49 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3f1g s ILE 50 N -0.72 3.35 0.26 -0.18 -1.09 -1.26 -4.13 121.20 117.43 3f1g s ILE 50 Ca 0.62 0.33 -0.30 0.00 -2.23 0.00 0.00 60.65 59.08 3f1g s ILE 50 Cb -0.68 -3.55 -0.14 0.00 -1.58 0.00 0.00 42.46 36.51 3f1g s ILE 50 CO 0.57 -0.40 1.16 0.18 -1.23 0.00 0.00 174.94 175.22 3f1g n LEU 51 N 11.34 2.25 -4.35 2.97 4.77 -0.91 -4.92 117.00 128.14 3f1g n LEU 51 Ca 0.25 1.17 -0.32 0.00 -0.03 0.00 0.00 56.01 57.08 3f1g n LEU 51 Cb 0.48 -1.33 0.18 0.00 -2.33 0.00 0.00 43.42 40.42 3f1g n LEU 51 CO 0.69 -1.07 -0.22 -0.81 -1.33 0.00 0.00 177.39 174.64 3f1g n PRO 52 N 1.16 -1.54 0.13 3.23 -0.04 -1.26 -4.78 135.00 131.89 3f1g n PRO 52 Ca 0.10 -0.42 -0.14 0.00 -0.04 0.00 0.00 63.50 63.00 3f1g n PRO 52 Cb 0.31 -1.84 -0.08 0.00 -0.04 0.00 0.00 33.50 31.85 3f1g n PRO 52 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3f1g h ARG 53 N -2.11 -0.28 -2.25 0.54 9.65 -1.95 -3.04 114.38 114.93 3f1g h ARG 53 Ca -0.53 0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 58.29 3f1g h ARG 53 Cb 1.34 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.95 3f1g h ARG 53 CO 0.40 -0.06 -0.04 0.54 2.80 0.00 0.00 179.97 183.61 3f1g n ARG 54 N -5.14 1.04 0.00 0.20 3.00 -1.26 -1.70 116.66 112.80 3f1g n ARG 54 Ca -0.09 -0.42 0.00 0.00 -0.01 0.00 0.00 57.85 57.33 3f1g n ARG 54 Cb 0.19 -1.60 0.00 0.00 0.00 0.00 0.00 32.46 31.05 3f1g n ARG 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3f1g n ARG 55 N 2.36 0.00 0.07 5.56 5.12 -1.21 -4.89 116.66 123.66 3f1g n ARG 55 Ca 0.18 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.89 3f1g n ARG 55 Cb 0.49 -0.08 -0.12 0.00 -1.16 0.00 0.00 32.46 31.58 3f1g n ARG 55 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 3f1g h THR 56 N 0.00 1.31 -0.99 0.55 1.35 -1.21 -3.16 112.91 110.76 3f1g h THR 56 Ca 0.00 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.48 3f1g h THR 56 Cb 0.00 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 3f1g h THR 56 CO 0.00 0.72 0.00 0.61 -0.25 0.00 0.00 175.52 176.60 3f1g n GLY 57 N 1.31 0.70 3.72 5.82 0.00 -0.72 -1.49 105.19 114.54 3f1g n GLY 57 Ca -0.13 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 3f1g n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f1g s LEU 58 N -0.99 3.47 0.74 0.99 1.02 -1.25 -4.82 118.68 117.84 3f1g s LEU 58 Ca 0.00 -0.46 -0.10 0.00 0.02 0.00 0.00 54.13 53.59 3f1g s LEU 58 Cb 0.00 -2.01 0.05 0.00 0.02 0.00 0.00 46.19 44.26 3f1g s LEU 58 CO 0.00 -0.01 1.09 -0.55 0.02 0.00 0.00 176.35 176.90 3f1g s SER 59 N -3.72 4.89 0.16 2.29 0.15 -1.26 -4.79 113.70 111.42 3f1g s SER 59 Ca 0.32 0.75 -0.25 0.00 0.70 0.00 0.00 55.95 57.47 3f1g s SER 59 Cb -0.07 -1.40 0.03 0.00 -1.71 0.00 0.00 66.02 62.87 3f1g s SER 59 CO 0.22 -1.62 1.59 0.00 1.20 0.00 0.00 173.24 174.63 3f1g h ALA 60 N -0.76 -0.29 -0.18 5.45 0.00 -2.01 -0.98 119.26 120.50 3f1g h ALA 60 Ca -0.45 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 3f1g h ALA 60 Cb 1.30 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 19.86 3f1g h ALA 60 CO 0.63 -0.78 -0.39 -0.22 0.00 0.00 0.00 179.25 178.49 3f1g h LYS 61 N -0.29 0.39 0.70 0.00 3.64 -2.01 -3.25 116.57 115.75 3f1g h LYS 61 Ca 0.16 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3f1g h LYS 61 Cb 0.56 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.39 3f1g h LYS 61 CO -0.55 0.73 -0.34 0.93 -2.27 0.00 0.00 179.45 177.95 3f1g h GLU 62 N 0.33 -0.91 -0.77 1.90 5.08 -1.74 -3.18 114.58 115.29 3f1g h GLU 62 Ca 0.03 0.06 0.14 0.00 -1.00 0.00 0.00 59.36 58.60 3f1g h GLU 62 Cb 0.84 0.21 -0.14 0.00 0.50 0.00 0.00 28.75 30.15 3f1g h GLU 62 CO 0.07 -0.61 -0.28 0.37 -1.00 0.00 0.00 179.01 177.57 3f1g h GLN 63 N -1.16 -0.05 0.00 2.33 5.75 -1.29 -1.66 115.11 119.03 3f1g h GLN 63 Ca -0.10 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 3f1g h GLN 63 Cb 0.72 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.28 3f1g h GLN 63 CO 0.16 -0.03 0.00 0.54 -2.65 0.00 0.00 178.83 176.84 3f1g n ARG 64 N -5.49 0.00 -0.28 1.69 1.74 -1.21 -1.09 116.66 112.02 3f1g n ARG 64 Ca 0.09 0.65 0.25 0.00 -0.77 0.00 0.00 57.85 58.07 3f1g n ARG 64 Cb 0.39 -1.27 0.59 0.00 -1.02 0.00 0.00 32.46 31.15 3f1g n ARG 64 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 3f1g h ILE 65 N 0.00 0.55 0.08 0.55 3.07 -1.47 -0.40 117.51 119.89 3f1g h ILE 65 Ca 0.00 -0.09 -0.00 0.00 1.55 0.00 0.00 64.86 66.32 3f1g h ILE 65 Cb 0.00 0.26 -0.00 0.00 -0.27 0.00 0.00 36.82 36.81 3f1g h ILE 65 CO 0.00 0.05 -0.05 0.25 -1.05 0.00 0.00 178.15 177.35 3f1g h LEU 66 N 0.26 -0.12 -1.55 0.16 5.85 -0.19 -1.01 115.31 118.72 3f1g h LEU 66 Ca 0.53 0.01 0.17 0.00 0.84 0.00 0.00 57.88 59.42 3f1g h LEU 66 Cb 1.58 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.59 3f1g h LEU 66 CO -0.17 -0.07 0.54 0.00 -0.34 0.00 0.00 178.44 178.40 3f1g h ALA 67 N -1.83 2.14 -0.61 1.25 0.00 -0.25 0.28 119.26 120.24 3f1g h ALA 67 Ca -0.01 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3f1g h ALA 67 Cb 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3f1g h ALA 67 CO 0.01 -0.37 0.18 -0.22 0.00 0.00 0.00 179.25 178.85 3f1g h LYS 68 N 0.42 0.93 0.00 0.00 3.64 -0.89 0.97 116.57 121.64 3f1g h LYS 68 Ca 0.41 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 3f1g h LYS 68 Cb 0.96 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 3f1g h LYS 68 CO -0.14 0.80 -0.33 1.79 -2.27 0.00 0.00 179.45 179.30 3f1g h THR 69 N 0.90 0.15 0.38 1.00 1.35 0.74 -2.84 112.91 114.59 3f1g h THR 69 Ca 0.20 -1.22 -0.02 0.00 -0.55 0.00 0.00 66.41 64.82 3f1g h THR 69 Cb 0.27 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 3f1g h THR 69 CO -0.01 0.08 -0.18 0.40 -0.25 0.00 0.00 175.52 175.56 3f1g h ILE 70 N 0.00 0.62 -0.62 6.82 1.08 0.31 -2.66 117.51 123.05 3f1g h ILE 70 Ca -0.01 -0.35 0.12 0.00 -0.39 0.00 0.00 64.86 64.24 3f1g h ILE 70 Cb 1.08 0.79 -0.12 0.00 -3.07 0.00 0.00 36.82 35.50 3f1g h ILE 70 CO 0.01 0.07 -0.17 0.11 -0.69 0.00 0.00 178.15 177.47 3f1g h LYS 71 N -0.72 -0.02 -0.11 2.37 1.57 -0.87 -0.35 116.57 118.44 3f1g h LYS 71 Ca -0.05 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3f1g h LYS 71 Cb 0.50 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.75 3f1g h LYS 71 CO 0.09 -0.01 -0.38 0.00 -0.57 0.00 0.00 179.45 178.57 3f1g h ARG 72 N -0.02 -0.45 -0.74 3.15 3.08 -1.38 -0.40 114.38 117.62 3f1g h ARG 72 Ca 0.30 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.44 3f1g h ARG 72 Cb 0.47 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.57 3f1g h ARG 72 CO -0.65 -0.30 0.44 0.00 -1.07 0.00 0.00 179.97 178.38 3f1g h ALA 73 N 0.21 1.01 0.00 0.04 0.00 -0.96 0.37 119.26 119.93 3f1g h ALA 73 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3f1g h ALA 73 Cb 0.60 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3f1g h ALA 73 CO -0.37 0.14 0.11 0.54 0.00 0.00 0.00 179.25 179.67 3f1g n ARG 74 N -4.72 0.05 -0.08 0.00 1.74 -0.20 -0.13 116.66 113.32 3f1g n ARG 74 Ca 0.10 0.50 -0.16 0.00 -0.77 0.00 0.00 57.85 57.51 3f1g n ARG 74 Cb 0.18 -1.78 -0.14 0.00 -1.02 0.00 0.00 32.46 29.70 3f1g n ARG 74 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3f1g n ILE 75 N -1.74 1.56 0.91 0.55 5.41 0.12 -3.89 119.36 122.28 3f1g n ILE 75 Ca -0.01 -0.68 0.00 0.00 1.00 0.00 0.00 62.75 63.06 3f1g n ILE 75 Cb 0.12 -1.25 0.00 0.00 -0.71 0.00 0.00 39.64 37.80 3f1g n ILE 75 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3f1g n LEU 76 N -3.18 0.05 0.00 1.39 7.99 0.81 -4.80 117.00 119.26 3f1g n LEU 76 Ca -0.36 -0.03 0.00 0.00 -0.01 0.00 0.00 56.01 55.61 3f1g n LEU 76 Cb 1.05 -0.03 0.00 0.00 -0.11 0.00 0.00 43.42 44.33 3f1g n LEU 76 CO 0.36 0.01 0.00 0.61 -1.51 0.00 0.00 177.39 176.87 3f1g n GLY 77 N 0.01 0.38 0.03 -0.72 0.00 -0.80 -4.82 105.19 99.28 3f1g n GLY 77 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 3f1g n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3f1g h LEU 78 N 0.00 -0.06-10.19 0.99 3.38 -1.83 -3.45 115.31 104.15 3f1g h LEU 78 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 3f1g h LEU 78 Cb 0.00 0.02 0.07 0.00 0.09 0.00 0.00 40.66 40.84 3f1g h LEU 78 CO 0.00 -0.03 0.38 -0.76 0.09 0.00 0.00 178.44 178.11 3f1g s LEU 79 N -4.38 3.49 0.41 1.67 1.43 -1.24 -4.98 118.68 115.08 3f1g s LEU 79 Ca -0.01 1.86 -0.23 0.00 -1.03 0.00 0.00 54.13 54.72 3f1g s LEU 79 Cb 0.00 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.59 3f1g s LEU 79 CO 0.03 -1.24 1.02 -2.84 0.23 0.00 0.00 176.35 173.55 3f1g s PRO 80 N -4.04 4.18 -0.03 1.29 0.02 -1.26 -4.42 135.00 130.74 3f1g s PRO 80 Ca 0.64 1.41 0.03 0.00 0.02 0.00 0.00 61.00 63.11 3f1g s PRO 80 Cb -0.17 -2.46 -0.25 0.00 0.02 0.00 0.00 34.50 31.64 3f1g s PRO 80 CO 0.37 -0.11 0.73 0.74 -0.33 0.00 0.00 177.00 178.40 3f1g h PHE 81 N 2.37 0.24 -1.74 6.54 -1.00 -1.92 -3.47 116.94 117.97 3f1g h PHE 81 Ca -0.48 -0.17 0.02 0.00 2.81 0.00 0.00 57.97 60.15 3f1g h PHE 81 Cb 1.21 -0.01 -0.22 0.00 3.61 0.00 0.00 35.95 40.54 3f1g h PHE 81 CO 0.59 1.27 0.38 0.99 -1.61 0.00 0.00 178.31 179.93 3f1g s THR 82 N -2.61 0.00 -0.05 -1.55 2.01 -1.26 -4.79 115.64 107.39 3f1g s THR 82 Ca -0.09 0.00 0.03 0.00 0.31 0.00 0.00 61.69 61.94 3f1g s THR 82 Cb 0.08 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.59 3f1g s THR 82 CO 0.82 0.00 -0.13 -1.83 -0.69 0.00 0.00 174.62 172.79 3f1g s GLU 83 N -0.73 1.57 0.37 4.92 -1.05 -0.60 -4.93 118.70 118.25 3f1g s GLU 83 Ca -0.03 -0.44 -0.28 0.00 -0.15 0.00 0.00 54.97 54.06 3f1g s GLU 83 Cb -0.02 -1.34 -0.11 0.00 -0.44 0.00 0.00 34.13 32.22 3f1g s GLU 83 CO 0.03 0.10 1.51 -1.59 0.95 0.00 0.00 175.26 176.26 3f1g s LYS 84 N 0.40 4.09 0.15 -4.83 -2.85 -1.26 -4.48 119.74 110.96 3f1g s LYS 84 Ca -0.09 2.60 -0.30 0.00 -1.00 0.00 0.00 55.97 57.17 3f1g s LYS 84 Cb -0.13 -2.97 -0.08 0.00 -2.06 0.00 0.00 37.83 32.59 3f1g s LYS 84 CO 0.03 -0.57 1.30 -1.17 0.10 0.00 0.00 175.35 175.04 3f1g s LEU 85 N -1.89 4.40 0.00 2.77 2.96 -1.26 -4.93 118.68 120.73 3f1g s LEU 85 Ca 0.54 2.30 0.00 0.00 -0.22 0.00 0.00 54.13 56.76 3f1g s LEU 85 Cb -0.47 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.62 3f1g s LEU 85 CO 0.62 -0.54 0.00 1.33 -1.32 0.00 0.00 176.35 176.44 3f1g n VAL 86 N 3.19 0.00 -1.49 1.68 0.24 -1.26 -4.93 118.33 115.77 3f1g n VAL 86 Ca 0.08 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.95 3f1g n VAL 86 Cb 0.43 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.80 3f1g n VAL 86 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3f1g n ARG 87 N 0.00 0.72 0.00 7.34 0.00 -1.26 -5.28 116.66 118.18 3f1g n ARG 87 Ca 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 57.85 58.11 3f1g n ARG 87 Cb 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 32.46 30.90 3f1g n ARG 87 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99