#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh1 s ALA 20 N 0.00 3.09 0.15 3.14 0.00 -1.26 -5.07 121.76 121.81 2wh1 s ALA 20 Ca 0.00 -2.30 -0.21 0.00 0.00 0.00 0.00 51.96 49.45 2wh1 s ALA 20 Cb 0.00 -2.33 -0.13 0.00 0.00 0.00 0.00 23.12 20.66 2wh1 s ALA 20 CO 0.00 -1.66 0.38 1.63 0.00 0.00 0.00 175.76 176.12 2wh1 n LYS 21 N 4.64 0.00 -0.69 0.00 4.76 -1.26 -4.81 118.16 120.80 2wh1 n LYS 21 Ca -0.06 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.33 2wh1 n LYS 21 Cb 0.42 -0.74 0.19 0.00 -1.84 0.00 0.00 35.03 33.06 2wh1 n LYS 21 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2wh1 n VAL 22 N -0.01 2.12 0.00 -0.18 0.31 -0.64 -4.42 118.33 115.52 2wh1 n VAL 22 Ca 0.13 -1.08 0.00 0.00 -0.01 0.00 0.00 64.34 63.38 2wh1 n VAL 22 Cb 0.19 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 2wh1 n VAL 22 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2wh1 n LYS 23 N -0.07 0.00 0.00 5.55 3.00 -1.17 -4.33 118.16 121.14 2wh1 n LYS 23 Ca 0.28 0.10 0.00 0.00 -0.00 0.00 0.00 58.31 58.69 2wh1 n LYS 23 Cb 1.07 -0.45 0.00 0.00 0.00 0.00 0.00 35.03 35.65 2wh1 n LYS 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wh1 n ALA 24 N -1.43 2.20 1.13 3.14 0.00 -1.26 -2.90 120.51 121.39 2wh1 n ALA 24 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2wh1 n ALA 24 Cb 0.00 -1.00 0.18 0.00 0.00 0.00 0.00 19.45 18.63 2wh1 n ALA 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wh1 n THR 25 N 0.48 0.00 -4.14 0.00 -1.04 -1.26 -4.92 114.28 103.40 2wh1 n THR 25 Ca 0.00 -0.27 -0.17 0.00 -2.04 0.00 0.00 64.05 61.57 2wh1 n THR 25 Cb 0.31 0.99 -0.12 0.00 -1.82 0.00 0.00 70.33 69.69 2wh1 n THR 25 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wh1 s LEU 26 N -2.33 2.27 0.00 -4.42 1.43 -1.14 -5.12 118.68 109.37 2wh1 s LEU 26 Ca 0.24 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 2wh1 s LEU 26 Cb 0.19 -0.40 0.00 0.00 0.03 0.00 0.00 46.19 46.01 2wh1 s LEU 26 CO 0.47 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.55 2wh1 n GLY 27 N 1.32 -1.11 2.42 -3.19 0.00 -1.26 -4.74 105.19 98.63 2wh1 n GLY 27 Ca -0.22 -1.46 -0.07 0.00 0.00 0.00 0.00 46.02 44.27 2wh1 n GLY 27 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wh1 n GLU 28 N 0.00 0.89 -2.91 1.61 1.02 -1.26 -4.86 120.64 115.13 2wh1 n GLU 28 Ca 0.00 -0.56 -0.39 0.00 -0.02 0.00 0.00 57.16 56.19 2wh1 n GLU 28 Cb 0.00 -1.83 -0.06 0.00 -0.02 0.00 0.00 31.44 29.53 2wh1 n GLU 28 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2wh1 s PHE 29 N 2.68 3.93 0.29 -0.32 -0.12 -1.26 -5.05 117.98 118.12 2wh1 s PHE 29 Ca 0.25 1.71 -0.19 0.00 -0.05 0.00 0.00 56.93 58.66 2wh1 s PHE 29 Cb 0.11 -2.83 -0.09 0.00 -0.63 0.00 0.00 43.02 39.58 2wh1 s PHE 29 CO -0.01 0.49 0.77 0.34 -0.05 0.00 0.00 175.22 176.77 2wh1 s ASP 30 N -1.17 6.97 -0.37 1.98 2.15 -1.26 -5.00 116.67 119.97 2wh1 s ASP 30 Ca 0.38 1.44 0.06 0.00 0.43 0.00 0.00 52.55 54.85 2wh1 s ASP 30 Cb -0.24 -2.43 0.44 0.00 -0.30 0.00 0.00 42.92 40.39 2wh1 s ASP 30 CO 0.28 -0.10 1.18 0.00 -0.17 0.00 0.00 175.17 176.35 2wh1 n LEU 31 N 0.18 4.90 0.00 -1.34 -0.00 -1.26 -4.39 117.00 115.09 2wh1 n LEU 31 Ca 0.01 -4.95 0.00 0.00 -0.00 0.00 0.00 56.01 51.07 2wh1 n LEU 31 Cb 0.52 -0.41 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 2wh1 n LEU 31 CO 0.42 2.16 0.25 -1.14 -0.00 0.00 0.00 177.39 179.07 2wh1 n ARG 32 N -0.61 0.46 -3.65 1.47 3.00 -1.26 -4.49 116.66 111.58 2wh1 n ARG 32 Ca 0.42 -0.58 -0.39 0.00 -0.00 0.00 0.00 57.85 57.30 2wh1 n ARG 32 Cb 0.82 -0.61 -0.10 0.00 0.00 0.00 0.00 32.46 32.57 2wh1 n ARG 32 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2wh1 s ASP 33 N -0.17 5.51 0.00 6.15 3.68 -1.26 -4.97 116.67 125.61 2wh1 s ASP 33 Ca 0.00 -2.14 -0.00 0.00 2.13 0.00 0.00 52.55 52.54 2wh1 s ASP 33 Cb 0.00 -1.93 -0.01 0.00 -1.45 0.00 0.00 42.92 39.54 2wh1 s ASP 33 CO 0.00 -0.58 1.61 0.00 0.13 0.00 0.00 175.17 176.33 2wh1 n TYR 34 N 4.53 0.00 0.00 -5.34 0.18 -1.26 -3.39 117.16 111.88 2wh1 n TYR 34 Ca -0.02 -0.79 0.00 0.00 1.88 0.00 0.00 57.90 58.96 2wh1 n TYR 34 Cb 0.41 -0.48 0.00 0.00 -0.38 0.00 0.00 39.34 38.89 2wh1 n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2wh1 n ARG 35 N 1.65 4.19 -0.31 -3.48 1.74 -1.26 -4.47 116.66 114.72 2wh1 n ARG 35 Ca 0.01 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.07 2wh1 n ARG 35 Cb 0.40 -0.45 -0.03 0.00 -1.02 0.00 0.00 32.46 31.36 2wh1 n ARG 35 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wh1 n ASN 36 N -0.11 2.24 -0.07 0.55 3.02 -1.22 -4.67 115.26 114.99 2wh1 n ASN 36 Ca 0.00 -1.74 -0.01 0.00 -0.03 0.00 0.00 54.58 52.80 2wh1 n ASN 36 Cb 0.00 -0.53 -0.00 0.00 -0.61 0.00 0.00 39.78 38.63 2wh1 n ASN 36 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2wh1 n VAL 37 N 2.24 -0.10 0.18 2.41 0.24 -1.26 0.29 118.33 122.33 2wh1 n VAL 37 Ca 0.08 0.40 0.19 0.00 -2.04 0.00 0.00 64.34 62.97 2wh1 n VAL 37 Cb 0.29 -0.51 0.79 0.00 -1.47 0.00 0.00 33.84 32.94 2wh1 n VAL 37 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2wh1 h GLU 38 N 0.00 0.00 0.00 7.34 5.08 -1.98 1.88 114.58 126.90 2wh1 h GLU 38 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2wh1 h GLU 38 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2wh1 h GLU 38 CO -0.16 0.00 -0.01 0.28 -1.00 0.00 0.00 179.01 178.12 2wh1 h VAL 39 N 0.00 0.00 -0.67 3.13 2.07 0.40 -3.37 116.25 117.81 2wh1 h VAL 39 Ca 0.12 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 66.99 2wh1 h VAL 39 Cb 0.84 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2wh1 h VAL 39 CO -0.00 0.00 0.43 -0.07 0.02 0.00 0.00 177.57 177.95 2wh1 h LEU 40 N -0.67 0.72 -1.93 2.57 3.38 -1.19 -2.18 115.31 116.01 2wh1 h LEU 40 Ca 0.00 -0.01 0.57 0.00 0.09 0.00 0.00 57.88 58.53 2wh1 h LEU 40 Cb 0.01 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.50 2wh1 h LEU 40 CO 0.00 0.51 1.38 1.17 0.09 0.00 0.00 178.44 181.59 2wh1 n LYS 41 N -4.66 -0.00 -0.08 1.13 3.00 0.63 0.03 118.16 118.22 2wh1 n LYS 41 Ca 0.06 1.11 -0.13 0.00 -0.00 0.00 0.00 58.31 59.35 2wh1 n LYS 41 Cb 0.06 -2.51 -0.05 0.00 0.00 0.00 0.00 35.03 32.52 2wh1 n LYS 41 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2wh1 h ARG 42 N 0.00 0.51 -0.22 1.64 2.43 -1.55 -3.22 114.38 113.97 2wh1 h ARG 42 Ca 0.94 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.86 2wh1 h ARG 42 Cb 3.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 33.26 2wh1 h ARG 42 CO -0.06 0.83 0.00 1.19 -1.51 0.00 0.00 179.97 180.42 2wh1 n PHE 43 N -4.44 0.00 -3.96 2.20 3.01 0.10 -4.62 117.46 109.75 2wh1 n PHE 43 Ca -0.05 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.11 2wh1 n PHE 43 Cb 0.39 -0.02 -0.16 0.00 -0.01 0.00 0.00 39.48 39.68 2wh1 n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2wh1 s LEU 44 N -0.50 2.32 0.00 4.37 1.43 -1.22 -0.47 118.68 124.60 2wh1 s LEU 44 Ca 0.00 -0.97 -0.08 0.00 -1.03 0.00 0.00 54.13 52.05 2wh1 s LEU 44 Cb 0.00 -1.18 0.13 0.00 0.03 0.00 0.00 46.19 45.17 2wh1 s LEU 44 CO 0.00 -0.18 0.29 -1.54 0.23 0.00 0.00 176.35 175.15 2wh1 n SER 45 N 4.70 -2.45 -2.32 2.29 3.41 -1.13 -4.53 113.62 113.58 2wh1 n SER 45 Ca -0.13 -0.30 -0.07 0.00 -0.26 0.00 0.00 58.87 58.11 2wh1 n SER 45 Cb 0.46 -0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 63.93 2wh1 n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wh1 n GLU 46 N -2.39 1.05 0.00 4.33 -0.58 -1.26 -1.56 120.64 120.23 2wh1 n GLU 46 Ca 0.05 -0.56 0.00 0.00 -0.42 0.00 0.00 57.16 56.23 2wh1 n GLU 46 Cb 0.20 -1.80 0.00 0.00 -0.57 0.00 0.00 31.44 29.28 2wh1 n GLU 46 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2wh1 n THR 47 N 2.87 0.00 -0.14 2.62 -1.04 -1.26 -4.54 114.28 112.79 2wh1 n THR 47 Ca 0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 2wh1 n THR 47 Cb 0.43 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 2wh1 n THR 47 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wh1 n GLY 48 N -0.13 0.87 3.71 3.41 0.00 -0.60 -1.57 105.19 110.89 2wh1 n GLY 48 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2wh1 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh1 s LYS 49 N -0.86 4.47 -0.24 1.61 -0.14 -1.26 -4.70 119.74 118.62 2wh1 s LYS 49 Ca 0.00 1.68 -0.33 0.00 -1.36 0.00 0.00 55.97 55.96 2wh1 s LYS 49 Cb 0.00 -3.37 -0.09 0.00 -1.68 0.00 0.00 37.83 32.68 2wh1 s LYS 49 CO 0.00 -0.19 2.13 -0.89 -0.76 0.00 0.00 175.35 175.63 2wh1 n ILE 50 N 3.88 0.34 -1.69 2.17 2.08 -1.26 -2.86 119.36 122.03 2wh1 n ILE 50 Ca 0.08 -0.29 -0.43 0.00 0.56 0.00 0.00 62.75 62.67 2wh1 n ILE 50 Cb 0.48 -2.02 -0.01 0.00 -0.75 0.00 0.00 39.64 37.34 2wh1 n ILE 50 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2wh1 n LEU 51 N 9.71 3.36 0.00 1.39 4.77 0.38 -4.96 117.00 131.65 2wh1 n LEU 51 Ca 0.33 1.20 -0.13 0.00 -0.03 0.00 0.00 56.01 57.37 2wh1 n LEU 51 Cb 0.32 -1.46 0.12 0.00 -2.33 0.00 0.00 43.42 40.07 2wh1 n LEU 51 CO 0.72 -0.56 0.24 -0.81 -1.33 0.00 0.00 177.39 175.65 2wh1 n PRO 52 N 0.74 -2.35 0.07 3.23 -0.04 -1.26 -4.69 135.00 130.69 2wh1 n PRO 52 Ca 0.06 -0.75 0.12 0.00 -0.04 0.00 0.00 63.50 62.89 2wh1 n PRO 52 Cb 0.35 -0.77 0.47 0.00 -0.04 0.00 0.00 33.50 33.51 2wh1 n PRO 52 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2wh1 n ARG 53 N -3.20 0.14 -0.03 0.54 0.63 -1.26 -1.91 116.66 111.56 2wh1 n ARG 53 Ca 0.07 0.21 0.01 0.00 -0.92 0.00 0.00 57.85 57.21 2wh1 n ARG 53 Cb 0.26 -1.69 0.02 0.00 0.45 0.00 0.00 32.46 31.50 2wh1 n ARG 53 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2wh1 n ARG 54 N -1.93 1.13 0.00 -0.14 1.74 -1.26 -2.33 116.66 113.86 2wh1 n ARG 54 Ca 0.05 -0.15 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 2wh1 n ARG 54 Cb 0.32 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 2wh1 n ARG 54 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wh1 n ARG 55 N -0.25 0.56 0.11 5.56 5.12 -1.11 -4.88 116.66 121.77 2wh1 n ARG 55 Ca 0.01 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.71 2wh1 n ARG 55 Cb 0.12 -0.24 -0.13 0.00 -1.16 0.00 0.00 32.46 31.04 2wh1 n ARG 55 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 2wh1 h THR 56 N 0.00 1.30 -2.85 0.55 1.35 -1.46 -1.69 112.91 110.12 2wh1 h THR 56 Ca 0.00 -2.58 -0.27 0.00 -0.55 0.00 0.00 66.41 63.01 2wh1 h THR 56 Cb 0.00 2.80 0.03 0.00 -1.73 0.00 0.00 68.15 69.25 2wh1 h THR 56 CO 0.00 0.78 -0.39 0.61 -0.25 0.00 0.00 175.52 176.27 2wh1 n GLY 57 N 1.47 -0.13 3.99 5.82 0.00 -0.99 -3.03 105.19 112.32 2wh1 n GLY 57 Ca -0.14 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 2wh1 n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wh1 s LEU 58 N -4.42 3.34 0.48 0.99 1.02 -1.26 -4.82 118.68 114.00 2wh1 s LEU 58 Ca 0.15 -0.69 -0.02 0.00 0.02 0.00 0.00 54.13 53.60 2wh1 s LEU 58 Cb -0.07 -2.08 -0.01 0.00 0.02 0.00 0.00 46.19 44.05 2wh1 s LEU 58 CO 0.19 -0.97 0.73 -0.55 0.02 0.00 0.00 176.35 175.76 2wh1 s SER 59 N -4.42 5.86 0.13 2.29 0.15 -1.26 -4.69 113.70 111.77 2wh1 s SER 59 Ca 0.54 0.47 -0.32 0.00 0.70 0.00 0.00 55.95 57.35 2wh1 s SER 59 Cb -0.07 -1.69 -0.09 0.00 -1.71 0.00 0.00 66.02 62.46 2wh1 s SER 59 CO 0.33 -0.74 1.55 0.00 1.20 0.00 0.00 173.24 175.59 2wh1 h ALA 60 N 0.28 -0.72 -0.61 5.45 0.00 -2.00 1.06 119.26 122.72 2wh1 h ALA 60 Ca -0.46 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.50 2wh1 h ALA 60 Cb 1.25 1.06 -0.05 0.00 0.00 0.00 0.00 17.79 20.05 2wh1 h ALA 60 CO 0.59 -1.02 0.33 -0.22 0.00 0.00 0.00 179.25 178.93 2wh1 h LYS 61 N -0.41 0.61 0.00 0.00 3.64 -2.00 -2.54 116.57 115.87 2wh1 h LYS 61 Ca 0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2wh1 h LYS 61 Cb 0.61 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2wh1 h LYS 61 CO -0.57 0.40 0.00 0.39 -2.27 0.00 0.00 179.45 177.40 2wh1 n GLU 62 N -4.81 0.00 -0.19 1.90 1.02 0.03 -2.62 120.64 115.97 2wh1 n GLU 62 Ca 0.07 0.31 0.16 0.00 -0.02 0.00 0.00 57.16 57.68 2wh1 n GLU 62 Cb 0.15 -1.26 0.30 0.00 -0.02 0.00 0.00 31.44 30.61 2wh1 n GLU 62 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2wh1 n GLN 63 N -1.44 -0.04 0.09 3.49 -0.06 0.35 0.24 117.38 120.01 2wh1 n GLN 63 Ca 0.00 0.81 -0.12 0.00 -2.00 0.00 0.00 57.00 55.69 2wh1 n GLN 63 Cb 0.00 -1.41 -0.08 0.00 -4.06 0.00 0.00 30.24 24.69 2wh1 n GLN 63 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2wh1 h ARG 64 N 0.00 -0.26 -0.46 3.69 3.08 -1.48 -3.09 114.38 115.87 2wh1 h ARG 64 Ca 0.46 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.66 2wh1 h ARG 64 Cb 1.17 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 2wh1 h ARG 64 CO -0.46 0.13 0.33 0.82 -1.07 0.00 0.00 179.97 179.71 2wh1 h ILE 65 N -0.79 0.78 0.00 2.04 2.04 0.04 -2.91 117.51 118.71 2wh1 h ILE 65 Ca -0.03 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2wh1 h ILE 65 Cb 0.51 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2wh1 h ILE 65 CO 0.05 0.00 0.00 -0.11 0.00 0.00 0.00 178.15 178.09 2wh1 n LEU 66 N -4.41 0.22 -0.30 1.44 7.94 -0.60 -3.47 117.00 117.83 2wh1 n LEU 66 Ca 0.08 0.54 0.13 0.00 -1.11 0.00 0.00 56.01 55.65 2wh1 n LEU 66 Cb 0.52 -0.08 0.26 0.00 0.53 0.00 0.00 43.42 44.65 2wh1 n LEU 66 CO 0.36 -0.08 0.70 0.00 -1.11 0.00 0.00 177.39 177.26 2wh1 n ALA 67 N -0.75 0.45 0.25 1.96 0.00 -1.17 0.11 120.51 121.36 2wh1 n ALA 67 Ca 0.00 0.94 0.18 0.00 0.00 0.00 0.00 53.44 54.55 2wh1 n ALA 67 Cb 0.00 -0.69 0.84 0.00 0.00 0.00 0.00 19.45 19.60 2wh1 n ALA 67 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wh1 h LYS 68 N 0.00 0.00 0.00 0.00 6.56 -1.58 0.20 116.57 121.75 2wh1 h LYS 68 Ca 0.53 0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 59.80 2wh1 h LYS 68 Cb 1.11 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.71 2wh1 h LYS 68 CO -0.82 0.00 -2.02 0.25 -2.06 0.00 0.00 179.45 174.80 2wh1 n THR 69 N -3.26 1.52 -0.19 -0.16 -2.24 0.31 -3.23 114.28 107.03 2wh1 n THR 69 Ca 0.01 -0.81 -0.06 0.00 -2.27 0.00 0.00 64.05 60.92 2wh1 n THR 69 Cb 0.41 -0.83 0.11 0.00 -2.10 0.00 0.00 70.33 67.92 2wh1 n THR 69 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2wh1 h ILE 70 N 0.00 1.25 -0.38 2.28 1.08 -0.51 0.19 117.51 121.42 2wh1 h ILE 70 Ca -0.41 -0.97 -0.06 0.00 -0.39 0.00 0.00 64.86 63.04 2wh1 h ILE 70 Cb 2.11 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 36.51 2wh1 h ILE 70 CO 0.05 0.36 0.00 0.11 -0.69 0.00 0.00 178.15 177.99 2wh1 h LYS 71 N 0.92 0.60 -0.28 2.37 1.57 -0.86 -1.01 116.57 119.88 2wh1 h LYS 71 Ca 0.19 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2wh1 h LYS 71 Cb 0.39 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2wh1 h LYS 71 CO 0.01 0.62 0.07 0.00 -0.57 0.00 0.00 179.45 179.58 2wh1 h ARG 72 N 0.57 0.45 -0.52 3.15 3.08 -0.90 -2.88 114.38 117.33 2wh1 h ARG 72 Ca 0.12 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2wh1 h ARG 72 Cb 0.36 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 2wh1 h ARG 72 CO 0.01 0.52 0.29 0.00 -1.07 0.00 0.00 179.97 179.73 2wh1 h ALA 73 N 0.90 0.66 -0.60 0.04 0.00 -0.28 -2.19 119.26 117.80 2wh1 h ALA 73 Ca 0.09 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.07 2wh1 h ALA 73 Cb 0.27 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2wh1 h ALA 73 CO -0.00 0.17 0.42 0.00 0.00 0.00 0.00 179.25 179.84 2wh1 h ARG 74 N 0.69 0.12 0.00 0.00 3.08 -1.10 0.45 114.38 117.63 2wh1 h ARG 74 Ca 0.18 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.13 2wh1 h ARG 74 Cb 0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2wh1 h ARG 74 CO -0.03 0.08 -0.47 0.82 -1.07 0.00 0.00 179.97 179.29 2wh1 h ILE 75 N 0.12 0.93 -0.33 2.04 2.04 -1.19 -2.97 117.51 118.15 2wh1 h ILE 75 Ca 0.29 -1.96 0.00 0.00 1.00 0.00 0.00 64.86 64.19 2wh1 h ILE 75 Cb 0.96 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 2wh1 h ILE 75 CO -0.04 0.47 0.00 0.18 0.00 0.00 0.00 178.15 178.76 2wh1 n LEU 76 N -3.38 2.23 0.00 1.44 7.99 0.15 -4.90 117.00 120.53 2wh1 n LEU 76 Ca 0.01 -1.04 0.00 0.00 -0.01 0.00 0.00 56.01 54.97 2wh1 n LEU 76 Cb 0.64 -0.22 0.00 0.00 -0.11 0.00 0.00 43.42 43.73 2wh1 n LEU 76 CO 0.39 0.52 0.00 0.61 -1.51 0.00 0.00 177.39 177.40 2wh1 n GLY 77 N 1.21 1.48 0.18 -0.72 0.00 -0.67 -4.85 105.19 101.82 2wh1 n GLY 77 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 2wh1 n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wh1 h LEU 78 N 0.00 -0.31 -9.83 0.99 3.38 -1.72 -3.44 115.31 104.38 2wh1 h LEU 78 Ca 0.00 -0.11 -0.57 0.00 0.09 0.00 0.00 57.88 57.29 2wh1 h LEU 78 Cb 0.00 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 2wh1 h LEU 78 CO 0.00 -0.08 -0.54 -0.76 0.09 0.00 0.00 178.44 177.15 2wh1 s LEU 79 N -9.81 3.96 0.82 1.67 1.43 -1.22 -4.97 118.68 110.56 2wh1 s LEU 79 Ca -0.15 -0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 2wh1 s LEU 79 Cb 0.04 -2.56 0.11 0.00 0.03 0.00 0.00 46.19 43.81 2wh1 s LEU 79 CO 0.61 0.08 1.17 -2.84 0.23 0.00 0.00 176.35 175.59 2wh1 s PRO 80 N -3.06 1.63 -0.09 1.29 0.02 -1.26 -4.06 135.00 129.46 2wh1 s PRO 80 Ca 0.32 -0.20 -0.05 0.00 0.02 0.00 0.00 61.00 61.09 2wh1 s PRO 80 Cb -0.11 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 2wh1 s PRO 80 CO 0.25 -1.73 -0.13 1.19 -0.33 0.00 0.00 177.00 176.24 2wh1 n PHE 81 N -3.32 0.00 -3.68 6.54 3.01 -1.26 -4.84 117.46 113.91 2wh1 n PHE 81 Ca 0.10 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.42 2wh1 n PHE 81 Cb 0.60 -0.35 -0.08 0.00 -0.01 0.00 0.00 39.48 39.65 2wh1 n PHE 81 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2wh1 s THR 82 N -2.19 0.02 0.15 4.37 2.01 -1.25 -4.49 115.64 114.26 2wh1 s THR 82 Ca -0.14 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 61.71 2wh1 s THR 82 Cb 0.05 -0.74 -0.01 0.00 0.01 0.00 0.00 72.50 71.81 2wh1 s THR 82 CO 0.17 -0.09 0.05 -0.62 -0.69 0.00 0.00 174.62 173.44 2wh1 n GLU 83 N 1.77 0.80 -4.79 4.92 4.71 -0.61 -4.97 120.64 122.48 2wh1 n GLU 83 Ca -0.18 -1.23 -0.31 0.00 -0.01 0.00 0.00 57.16 55.43 2wh1 n GLU 83 Cb 0.56 0.67 -0.13 0.00 -1.01 0.00 0.00 31.44 31.54 2wh1 n GLU 83 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2wh1 s LYS 84 N -2.55 2.22 0.20 3.49 -0.14 -1.26 -4.82 119.74 116.88 2wh1 s LYS 84 Ca 0.07 -0.88 -0.32 0.00 -1.36 0.00 0.00 55.97 53.49 2wh1 s LYS 84 Cb 0.00 -2.24 -0.11 0.00 -1.68 0.00 0.00 37.83 33.80 2wh1 s LYS 84 CO 0.05 0.57 1.65 -1.17 -0.76 0.00 0.00 175.35 175.69 2wh1 s LEU 85 N -1.13 4.37 0.20 3.17 2.96 -1.26 -4.95 118.68 122.04 2wh1 s LEU 85 Ca 0.13 2.79 -0.04 0.00 -0.22 0.00 0.00 54.13 56.79 2wh1 s LEU 85 Cb -0.10 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.93 2wh1 s LEU 85 CO 0.03 -0.91 0.44 -0.69 -1.32 0.00 0.00 176.35 173.90 2wh1 s VAL 86 N 1.00 5.13 0.00 1.68 1.01 -1.26 -4.81 120.40 123.14 2wh1 s VAL 86 Ca 0.71 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.64 2wh1 s VAL 86 Cb -0.47 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.22 2wh1 s VAL 86 CO 0.34 -0.12 0.00 -2.11 0.00 0.00 0.00 175.10 173.20 2wh1 n ARG 87 N -0.41 0.00 0.00 2.72 0.00 -1.26 -5.27 116.66 112.43 2wh1 n ARG 87 Ca -0.03 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 57.88 2wh1 n ARG 87 Cb 0.53 0.00 0.05 0.00 -0.00 0.00 0.00 32.46 33.03 2wh1 n ARG 87 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80