#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh3 s ALA 20 N 0.00 3.08 0.15 3.14 0.00 -1.26 -5.07 121.76 121.80 2wh3 s ALA 20 Ca 0.00 -2.26 -0.21 0.00 0.00 0.00 0.00 51.96 49.49 2wh3 s ALA 20 Cb 0.00 -2.32 -0.13 0.00 0.00 0.00 0.00 23.12 20.67 2wh3 s ALA 20 CO 0.00 -1.63 0.39 1.63 0.00 0.00 0.00 175.76 176.15 2wh3 n LYS 21 N 4.65 0.00 -0.71 0.00 4.76 -1.26 -4.81 118.16 120.79 2wh3 n LYS 21 Ca -0.06 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.32 2wh3 n LYS 21 Cb 0.42 -0.75 0.19 0.00 -1.84 0.00 0.00 35.03 33.05 2wh3 n LYS 21 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2wh3 n VAL 22 N 0.01 2.16 0.00 -0.18 0.31 -0.48 -4.41 118.33 115.73 2wh3 n VAL 22 Ca 0.14 -1.10 0.00 0.00 -0.01 0.00 0.00 64.34 63.37 2wh3 n VAL 22 Cb 0.19 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 2wh3 n VAL 22 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2wh3 n LYS 23 N -0.12 0.00 0.00 5.55 3.00 -1.16 -4.32 118.16 121.11 2wh3 n LYS 23 Ca 0.29 0.10 0.00 0.00 -0.00 0.00 0.00 58.31 58.70 2wh3 n LYS 23 Cb 1.09 -0.45 0.00 0.00 0.00 0.00 0.00 35.03 35.67 2wh3 n LYS 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wh3 n ALA 24 N -1.46 2.19 1.13 3.14 0.00 -1.26 -2.95 120.51 121.30 2wh3 n ALA 24 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2wh3 n ALA 24 Cb 0.00 -1.00 0.19 0.00 0.00 0.00 0.00 19.45 18.64 2wh3 n ALA 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wh3 n THR 25 N 0.49 0.00 -4.15 0.00 -1.04 -1.26 -4.92 114.28 103.40 2wh3 n THR 25 Ca 0.00 -0.26 -0.16 0.00 -2.04 0.00 0.00 64.05 61.59 2wh3 n THR 25 Cb 0.31 0.95 -0.12 0.00 -1.82 0.00 0.00 70.33 69.65 2wh3 n THR 25 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wh3 s LEU 26 N -2.35 2.25 0.00 -4.42 1.43 -1.15 -5.12 118.68 109.32 2wh3 s LEU 26 Ca 0.24 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 2wh3 s LEU 26 Cb 0.19 -0.39 0.00 0.00 0.03 0.00 0.00 46.19 46.02 2wh3 s LEU 26 CO 0.49 -0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.57 2wh3 n GLY 27 N 1.45 -1.19 2.42 -3.19 0.00 -1.26 -4.73 105.19 98.68 2wh3 n GLY 27 Ca -0.21 -1.42 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 2wh3 n GLY 27 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wh3 n GLU 28 N 0.00 1.06 -2.93 1.61 1.02 -1.26 -4.86 120.64 115.28 2wh3 n GLU 28 Ca 0.00 -0.66 -0.40 0.00 -0.02 0.00 0.00 57.16 56.08 2wh3 n GLU 28 Cb 0.00 -1.90 -0.06 0.00 -0.02 0.00 0.00 31.44 29.46 2wh3 n GLU 28 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2wh3 s PHE 29 N 2.67 3.92 0.29 -0.32 -0.12 -1.26 -5.05 117.98 118.10 2wh3 s PHE 29 Ca 0.28 1.69 -0.19 0.00 -0.05 0.00 0.00 56.93 58.66 2wh3 s PHE 29 Cb 0.12 -2.82 -0.09 0.00 -0.63 0.00 0.00 43.02 39.60 2wh3 s PHE 29 CO -0.01 0.49 0.78 0.34 -0.05 0.00 0.00 175.22 176.77 2wh3 s ASP 30 N -1.09 6.99 -0.36 1.98 2.15 -1.26 -5.00 116.67 120.08 2wh3 s ASP 30 Ca 0.37 1.45 0.06 0.00 0.43 0.00 0.00 52.55 54.86 2wh3 s ASP 30 Cb -0.24 -2.44 0.44 0.00 -0.30 0.00 0.00 42.92 40.39 2wh3 s ASP 30 CO 0.27 -0.09 1.18 0.00 -0.17 0.00 0.00 175.17 176.36 2wh3 n LEU 31 N 0.23 4.92 0.00 -1.34 -0.00 -1.26 -4.39 117.00 115.16 2wh3 n LEU 31 Ca 0.01 -4.92 0.00 0.00 -0.00 0.00 0.00 56.01 51.10 2wh3 n LEU 31 Cb 0.52 -0.40 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 2wh3 n LEU 31 CO 0.42 2.14 0.28 -1.14 -0.00 0.00 0.00 177.39 179.09 2wh3 n ARG 32 N -0.63 0.60 -3.68 1.47 3.00 -1.26 -4.49 116.66 111.68 2wh3 n ARG 32 Ca 0.43 -0.66 -0.38 0.00 -0.00 0.00 0.00 57.85 57.24 2wh3 n ARG 32 Cb 0.84 -0.62 -0.10 0.00 0.00 0.00 0.00 32.46 32.58 2wh3 n ARG 32 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2wh3 s ASP 33 N -0.21 5.44 0.00 6.15 3.68 -1.26 -4.97 116.67 125.50 2wh3 s ASP 33 Ca 0.00 -2.13 0.00 0.00 2.13 0.00 0.00 52.55 52.55 2wh3 s ASP 33 Cb 0.00 -1.90 0.00 0.00 -1.45 0.00 0.00 42.92 39.57 2wh3 s ASP 33 CO 0.00 -0.57 1.57 0.00 0.13 0.00 0.00 175.17 176.30 2wh3 n TYR 34 N 4.52 0.00 0.00 -5.34 0.18 -1.26 -3.38 117.16 111.88 2wh3 n TYR 34 Ca -0.02 -0.79 0.00 0.00 1.88 0.00 0.00 57.90 58.97 2wh3 n TYR 34 Cb 0.41 -0.45 0.00 0.00 -0.38 0.00 0.00 39.34 38.92 2wh3 n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2wh3 n ARG 35 N 1.60 4.58 -0.31 -3.48 1.74 -1.26 -4.47 116.66 115.06 2wh3 n ARG 35 Ca 0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 2wh3 n ARG 35 Cb 0.39 -0.47 -0.03 0.00 -1.02 0.00 0.00 32.46 31.33 2wh3 n ARG 35 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wh3 n ASN 36 N -0.10 2.27 -0.07 0.55 3.02 -1.22 -4.68 115.26 115.04 2wh3 n ASN 36 Ca 0.00 -1.74 -0.01 0.00 -0.03 0.00 0.00 54.58 52.80 2wh3 n ASN 36 Cb 0.00 -0.54 -0.00 0.00 -0.61 0.00 0.00 39.78 38.63 2wh3 n ASN 36 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2wh3 n VAL 37 N 2.23 -0.11 0.17 2.41 0.24 -1.26 0.29 118.33 122.30 2wh3 n VAL 37 Ca 0.08 0.42 0.19 0.00 -2.04 0.00 0.00 64.34 62.99 2wh3 n VAL 37 Cb 0.29 -0.54 0.78 0.00 -1.47 0.00 0.00 33.84 32.90 2wh3 n VAL 37 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2wh3 h GLU 38 N 0.00 0.00 0.01 7.34 5.08 -1.98 1.80 114.58 126.83 2wh3 h GLU 38 Ca 0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2wh3 h GLU 38 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2wh3 h GLU 38 CO -0.17 0.00 -0.00 0.28 -1.00 0.00 0.00 179.01 178.11 2wh3 h VAL 39 N 0.00 0.00 -0.64 3.13 2.07 0.38 -3.37 116.25 117.82 2wh3 h VAL 39 Ca 0.13 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.08 2wh3 h VAL 39 Cb 0.89 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 2wh3 h VAL 39 CO -0.00 0.00 0.40 -0.07 0.02 0.00 0.00 177.57 177.92 2wh3 h LEU 40 N -0.62 0.65 -1.90 2.57 3.38 -1.22 -2.08 115.31 116.09 2wh3 h LEU 40 Ca -0.00 0.00 0.56 0.00 0.09 0.00 0.00 57.88 58.53 2wh3 h LEU 40 Cb 0.01 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.53 2wh3 h LEU 40 CO 0.00 0.45 1.35 1.17 0.09 0.00 0.00 178.44 181.50 2wh3 n LYS 41 N -4.71 -0.01 -0.08 1.13 3.00 0.61 0.16 118.16 118.26 2wh3 n LYS 41 Ca 0.06 1.11 -0.13 0.00 -0.00 0.00 0.00 58.31 59.36 2wh3 n LYS 41 Cb 0.08 -2.50 -0.05 0.00 0.00 0.00 0.00 35.03 32.56 2wh3 n LYS 41 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2wh3 h ARG 42 N 0.00 0.53 -0.22 1.64 2.43 -1.53 -3.22 114.38 114.01 2wh3 h ARG 42 Ca 0.94 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.85 2wh3 h ARG 42 Cb 3.66 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 33.20 2wh3 h ARG 42 CO -0.08 0.82 0.00 1.19 -1.51 0.00 0.00 179.97 180.39 2wh3 n PHE 43 N -4.45 0.00 -3.97 2.20 3.01 0.12 -4.61 117.46 109.77 2wh3 n PHE 43 Ca -0.04 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.11 2wh3 n PHE 43 Cb 0.38 -0.02 -0.16 0.00 -0.01 0.00 0.00 39.48 39.67 2wh3 n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2wh3 s LEU 44 N -0.51 2.39 0.00 4.37 1.43 -1.22 -0.53 118.68 124.61 2wh3 s LEU 44 Ca 0.00 -1.00 -0.09 0.00 -1.03 0.00 0.00 54.13 52.01 2wh3 s LEU 44 Cb 0.00 -1.20 0.14 0.00 0.03 0.00 0.00 46.19 45.16 2wh3 s LEU 44 CO 0.00 -0.19 0.32 -1.54 0.23 0.00 0.00 176.35 175.18 2wh3 n SER 45 N 4.68 -2.53 -2.28 2.29 3.41 -1.13 -4.52 113.62 113.53 2wh3 n SER 45 Ca -0.13 -0.33 -0.06 0.00 -0.26 0.00 0.00 58.87 58.09 2wh3 n SER 45 Cb 0.45 -0.46 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 2wh3 n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wh3 n GLU 46 N -2.25 0.93 0.00 4.33 -0.58 -1.26 -1.38 120.64 120.42 2wh3 n GLU 46 Ca 0.05 -0.47 0.00 0.00 -0.42 0.00 0.00 57.16 56.32 2wh3 n GLU 46 Cb 0.22 -1.74 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 2wh3 n GLU 46 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2wh3 n THR 47 N 2.79 0.00 -0.19 2.62 -1.04 -1.26 -4.54 114.28 112.66 2wh3 n THR 47 Ca 0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 2wh3 n THR 47 Cb 0.42 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 2wh3 n THR 47 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wh3 n GLY 48 N -0.11 0.87 3.71 3.41 0.00 -0.48 -1.61 105.19 110.98 2wh3 n GLY 48 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2wh3 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh3 s LYS 49 N -0.81 4.48 -0.24 1.61 -0.14 -1.26 -4.71 119.74 118.67 2wh3 s LYS 49 Ca 0.00 1.67 -0.32 0.00 -1.36 0.00 0.00 55.97 55.96 2wh3 s LYS 49 Cb 0.00 -3.38 -0.09 0.00 -1.68 0.00 0.00 37.83 32.69 2wh3 s LYS 49 CO 0.00 -0.18 2.14 -0.89 -0.76 0.00 0.00 175.35 175.65 2wh3 n ILE 50 N 3.85 0.34 -1.67 2.17 2.08 -1.26 -2.86 119.36 122.00 2wh3 n ILE 50 Ca 0.08 -0.30 -0.43 0.00 0.56 0.00 0.00 62.75 62.66 2wh3 n ILE 50 Cb 0.48 -2.06 -0.01 0.00 -0.75 0.00 0.00 39.64 37.30 2wh3 n ILE 50 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2wh3 n LEU 51 N 9.87 3.18 0.00 1.39 4.77 0.31 -4.96 117.00 131.57 2wh3 n LEU 51 Ca 0.33 1.19 -0.14 0.00 -0.03 0.00 0.00 56.01 57.36 2wh3 n LEU 51 Cb 0.33 -1.44 0.12 0.00 -2.33 0.00 0.00 43.42 40.09 2wh3 n LEU 51 CO 0.72 -0.71 0.27 -0.81 -1.33 0.00 0.00 177.39 175.52 2wh3 n PRO 52 N 0.55 -2.12 0.09 3.23 -0.04 -1.26 -4.71 135.00 130.74 2wh3 n PRO 52 Ca 0.06 -0.79 0.12 0.00 -0.04 0.00 0.00 63.50 62.85 2wh3 n PRO 52 Cb 0.35 -0.76 0.45 0.00 -0.04 0.00 0.00 33.50 33.51 2wh3 n PRO 52 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2wh3 n ARG 53 N -3.11 0.17 -0.02 0.54 0.63 -1.26 -1.99 116.66 111.62 2wh3 n ARG 53 Ca 0.07 0.27 0.00 0.00 -0.92 0.00 0.00 57.85 57.28 2wh3 n ARG 53 Cb 0.27 -1.75 0.02 0.00 0.45 0.00 0.00 32.46 31.44 2wh3 n ARG 53 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2wh3 n ARG 54 N -2.06 1.10 0.00 -0.14 1.74 -1.26 -2.33 116.66 113.72 2wh3 n ARG 54 Ca 0.04 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2wh3 n ARG 54 Cb 0.31 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 2wh3 n ARG 54 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wh3 n ARG 55 N -0.26 0.43 0.09 5.56 5.12 -1.10 -4.88 116.66 121.62 2wh3 n ARG 55 Ca 0.01 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.71 2wh3 n ARG 55 Cb 0.12 -0.25 -0.13 0.00 -1.16 0.00 0.00 32.46 31.04 2wh3 n ARG 55 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 2wh3 h THR 56 N 0.00 1.31 -2.94 0.55 1.35 -1.47 -1.28 112.91 110.42 2wh3 h THR 56 Ca 0.00 -2.46 -0.25 0.00 -0.55 0.00 0.00 66.41 63.15 2wh3 h THR 56 Cb 0.00 2.75 0.04 0.00 -1.73 0.00 0.00 68.15 69.21 2wh3 h THR 56 CO 0.00 0.74 -0.38 0.61 -0.25 0.00 0.00 175.52 176.25 2wh3 n GLY 57 N 1.41 -0.06 3.97 5.82 0.00 -0.98 -2.99 105.19 112.35 2wh3 n GLY 57 Ca -0.14 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 2wh3 n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wh3 s LEU 58 N -4.31 3.36 0.49 0.99 1.02 -1.26 -4.82 118.68 114.14 2wh3 s LEU 58 Ca 0.19 -0.69 -0.02 0.00 0.02 0.00 0.00 54.13 53.63 2wh3 s LEU 58 Cb -0.08 -2.11 -0.00 0.00 0.02 0.00 0.00 46.19 44.01 2wh3 s LEU 58 CO 0.23 -0.90 0.74 -0.55 0.02 0.00 0.00 176.35 175.89 2wh3 s SER 59 N -4.35 5.83 0.12 2.29 0.15 -1.26 -4.69 113.70 111.78 2wh3 s SER 59 Ca 0.53 0.48 -0.31 0.00 0.70 0.00 0.00 55.95 57.34 2wh3 s SER 59 Cb -0.06 -1.68 -0.11 0.00 -1.71 0.00 0.00 66.02 62.46 2wh3 s SER 59 CO 0.32 -0.77 1.52 0.00 1.20 0.00 0.00 173.24 175.50 2wh3 h ALA 60 N 0.24 -0.77 -0.62 5.45 0.00 -2.00 0.94 119.26 122.49 2wh3 h ALA 60 Ca -0.46 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.51 2wh3 h ALA 60 Cb 1.25 1.09 -0.06 0.00 0.00 0.00 0.00 17.79 20.07 2wh3 h ALA 60 CO 0.59 -1.02 0.31 -0.22 0.00 0.00 0.00 179.25 178.92 2wh3 h LYS 61 N -0.39 0.56 0.00 0.00 3.64 -2.00 -2.47 116.57 115.90 2wh3 h LYS 61 Ca 0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2wh3 h LYS 61 Cb 0.57 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2wh3 h LYS 61 CO -0.55 0.37 0.00 0.39 -2.27 0.00 0.00 179.45 177.39 2wh3 n GLU 62 N -4.86 0.00 -0.20 1.90 1.02 -0.05 -2.60 120.64 115.85 2wh3 n GLU 62 Ca 0.08 0.32 0.18 0.00 -0.02 0.00 0.00 57.16 57.72 2wh3 n GLU 62 Cb 0.20 -1.27 0.34 0.00 -0.02 0.00 0.00 31.44 30.68 2wh3 n GLU 62 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2wh3 n GLN 63 N -1.46 -0.04 0.03 3.49 -0.06 0.31 0.32 117.38 119.97 2wh3 n GLN 63 Ca 0.00 0.84 -0.12 0.00 -2.00 0.00 0.00 57.00 55.72 2wh3 n GLN 63 Cb 0.00 -1.49 -0.09 0.00 -4.06 0.00 0.00 30.24 24.60 2wh3 n GLN 63 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2wh3 h ARG 64 N 0.00 -0.13 -0.38 3.69 3.08 -1.45 -3.11 114.38 116.08 2wh3 h ARG 64 Ca 0.50 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.65 2wh3 h ARG 64 Cb 1.29 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.35 2wh3 h ARG 64 CO -0.48 0.34 0.27 0.82 -1.07 0.00 0.00 179.97 179.85 2wh3 h ILE 65 N -0.68 0.86 0.00 2.04 2.04 0.13 -2.90 117.51 119.00 2wh3 h ILE 65 Ca -0.01 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2wh3 h ILE 65 Cb 0.53 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2wh3 h ILE 65 CO 0.02 0.02 0.00 -0.11 0.00 0.00 0.00 178.15 178.08 2wh3 n LEU 66 N -4.45 0.14 -0.30 1.44 7.94 -0.56 -3.46 117.00 117.76 2wh3 n LEU 66 Ca 0.06 0.54 0.12 0.00 -1.11 0.00 0.00 56.01 55.61 2wh3 n LEU 66 Cb 0.39 -0.06 0.24 0.00 0.53 0.00 0.00 43.42 44.51 2wh3 n LEU 66 CO 0.35 -0.06 0.67 0.00 -1.11 0.00 0.00 177.39 177.24 2wh3 n ALA 67 N -0.69 0.41 0.24 1.96 0.00 -1.18 0.13 120.51 121.39 2wh3 n ALA 67 Ca 0.00 0.93 0.17 0.00 0.00 0.00 0.00 53.44 54.54 2wh3 n ALA 67 Cb 0.00 -0.66 0.81 0.00 0.00 0.00 0.00 19.45 19.59 2wh3 n ALA 67 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wh3 h LYS 68 N 0.00 0.00 0.00 0.00 6.56 -1.58 0.23 116.57 121.78 2wh3 h LYS 68 Ca 0.51 0.00 -0.31 0.00 -1.06 0.00 0.00 60.65 59.79 2wh3 h LYS 68 Cb 1.03 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.63 2wh3 h LYS 68 CO -0.82 0.00 -1.99 0.25 -2.06 0.00 0.00 179.45 174.83 2wh3 n THR 69 N -3.24 1.44 -0.17 -0.16 -2.24 0.34 -3.26 114.28 106.98 2wh3 n THR 69 Ca 0.01 -0.81 -0.06 0.00 -2.27 0.00 0.00 64.05 60.93 2wh3 n THR 69 Cb 0.45 -0.73 0.11 0.00 -2.10 0.00 0.00 70.33 68.05 2wh3 n THR 69 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2wh3 h ILE 70 N 0.00 1.25 -0.34 2.28 1.08 -0.35 0.16 117.51 121.59 2wh3 h ILE 70 Ca -0.38 -1.00 -0.06 0.00 -0.39 0.00 0.00 64.86 63.03 2wh3 h ILE 70 Cb 2.06 0.73 -0.02 0.00 -3.07 0.00 0.00 36.82 36.52 2wh3 h ILE 70 CO 0.05 0.37 -0.03 0.11 -0.69 0.00 0.00 178.15 177.96 2wh3 h LYS 71 N 0.89 0.55 -0.22 2.37 1.57 -0.86 -1.07 116.57 119.79 2wh3 h LYS 71 Ca 0.18 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2wh3 h LYS 71 Cb 0.43 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2wh3 h LYS 71 CO 0.01 0.59 0.04 0.00 -0.57 0.00 0.00 179.45 179.53 2wh3 h ARG 72 N 0.52 0.36 -0.52 3.15 3.08 -0.94 -2.89 114.38 117.14 2wh3 h ARG 72 Ca 0.11 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2wh3 h ARG 72 Cb 0.38 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 2wh3 h ARG 72 CO 0.02 0.50 0.33 0.00 -1.07 0.00 0.00 179.97 179.75 2wh3 h ALA 73 N 0.85 0.66 -0.57 0.04 0.00 -0.38 -1.99 119.26 117.87 2wh3 h ALA 73 Ca 0.07 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.08 2wh3 h ALA 73 Cb 0.31 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2wh3 h ALA 73 CO 0.00 0.12 0.40 0.00 0.00 0.00 0.00 179.25 179.78 2wh3 h ARG 74 N 0.70 0.08 0.00 0.00 3.08 -1.13 0.45 114.38 117.55 2wh3 h ARG 74 Ca 0.19 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.12 2wh3 h ARG 74 Cb -0.04 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 2wh3 h ARG 74 CO -0.04 0.05 -0.54 0.82 -1.07 0.00 0.00 179.97 179.19 2wh3 h ILE 75 N 0.08 1.07 -0.30 2.04 2.04 -1.16 -2.98 117.51 118.30 2wh3 h ILE 75 Ca 0.27 -2.13 0.00 0.00 1.00 0.00 0.00 64.86 64.00 2wh3 h ILE 75 Cb 0.98 2.27 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 2wh3 h ILE 75 CO -0.02 0.53 0.00 0.18 0.00 0.00 0.00 178.15 178.84 2wh3 n LEU 76 N -3.42 2.00 0.00 1.44 7.99 0.15 -4.90 117.00 120.26 2wh3 n LEU 76 Ca 0.00 -0.93 0.00 0.00 -0.01 0.00 0.00 56.01 55.07 2wh3 n LEU 76 Cb 0.67 -0.20 0.00 0.00 -0.11 0.00 0.00 43.42 43.78 2wh3 n LEU 76 CO 0.40 0.47 0.00 0.61 -1.51 0.00 0.00 177.39 177.36 2wh3 n GLY 77 N 1.15 1.49 0.21 -0.72 0.00 -0.74 -4.85 105.19 101.73 2wh3 n GLY 77 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 2wh3 n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wh3 h LEU 78 N 0.00 -0.39 -9.83 0.99 3.38 -1.72 -3.44 115.31 104.29 2wh3 h LEU 78 Ca 0.00 -0.08 -0.58 0.00 0.09 0.00 0.00 57.88 57.31 2wh3 h LEU 78 Cb 0.00 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 2wh3 h LEU 78 CO 0.00 -0.16 -0.54 -0.76 0.09 0.00 0.00 178.44 177.07 2wh3 s LEU 79 N -9.84 4.01 0.83 1.67 1.43 -1.22 -4.97 118.68 110.59 2wh3 s LEU 79 Ca -0.15 0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.85 2wh3 s LEU 79 Cb 0.03 -2.62 0.11 0.00 0.03 0.00 0.00 46.19 43.75 2wh3 s LEU 79 CO 0.60 0.10 1.18 -2.84 0.23 0.00 0.00 176.35 175.62 2wh3 s PRO 80 N -2.93 1.59 -0.10 1.29 0.02 -1.26 -4.04 135.00 129.58 2wh3 s PRO 80 Ca 0.32 -0.17 -0.05 0.00 0.02 0.00 0.00 61.00 61.12 2wh3 s PRO 80 Cb -0.11 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 2wh3 s PRO 80 CO 0.25 -1.77 -0.13 1.19 -0.33 0.00 0.00 177.00 176.21 2wh3 n PHE 81 N -3.36 0.00 -3.68 6.54 3.01 -1.26 -4.84 117.46 113.87 2wh3 n PHE 81 Ca 0.10 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.42 2wh3 n PHE 81 Cb 0.60 -0.36 -0.08 0.00 -0.01 0.00 0.00 39.48 39.63 2wh3 n PHE 81 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2wh3 s THR 82 N -2.19 0.02 0.15 4.37 2.01 -1.25 -4.50 115.64 114.25 2wh3 s THR 82 Ca -0.14 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 61.72 2wh3 s THR 82 Cb 0.05 -0.74 -0.01 0.00 0.01 0.00 0.00 72.50 71.82 2wh3 s THR 82 CO 0.18 -0.08 0.05 -0.62 -0.69 0.00 0.00 174.62 173.45 2wh3 n GLU 83 N 1.87 0.86 -4.76 4.92 4.71 -0.63 -4.97 120.64 122.63 2wh3 n GLU 83 Ca -0.17 -1.25 -0.31 0.00 -0.01 0.00 0.00 57.16 55.42 2wh3 n GLU 83 Cb 0.56 0.66 -0.13 0.00 -1.01 0.00 0.00 31.44 31.52 2wh3 n GLU 83 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2wh3 s LYS 84 N -2.57 2.20 0.20 3.49 -0.14 -1.26 -4.82 119.74 116.84 2wh3 s LYS 84 Ca 0.07 -0.90 -0.32 0.00 -1.36 0.00 0.00 55.97 53.47 2wh3 s LYS 84 Cb 0.00 -2.23 -0.11 0.00 -1.68 0.00 0.00 37.83 33.81 2wh3 s LYS 84 CO 0.05 0.56 1.63 -1.17 -0.76 0.00 0.00 175.35 175.67 2wh3 s LEU 85 N -1.19 4.37 0.20 3.17 2.96 -1.26 -4.95 118.68 121.98 2wh3 s LEU 85 Ca 0.14 2.76 -0.04 0.00 -0.22 0.00 0.00 54.13 56.76 2wh3 s LEU 85 Cb -0.10 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.93 2wh3 s LEU 85 CO 0.04 -0.89 0.44 -0.69 -1.32 0.00 0.00 176.35 173.92 2wh3 s VAL 86 N 1.01 5.12 0.00 1.68 1.01 -1.26 -4.81 120.40 123.14 2wh3 s VAL 86 Ca 0.71 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.65 2wh3 s VAL 86 Cb -0.47 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2wh3 s VAL 86 CO 0.33 -0.12 0.00 -2.11 0.00 0.00 0.00 175.10 173.21 2wh3 n ARG 87 N -0.40 0.00 0.00 2.72 0.00 -1.26 -5.27 116.66 112.45 2wh3 n ARG 87 Ca -0.03 0.00 0.06 0.00 -0.00 0.00 0.00 57.85 57.88 2wh3 n ARG 87 Cb 0.53 0.00 0.05 0.00 -0.00 0.00 0.00 32.46 33.04 2wh3 n ARG 87 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80