#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdk n ALA 20 N 0.00 0.00 -1.96 3.14 0.00 -1.26 -5.11 120.51 115.32 2wdk n ALA 20 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2wdk n ALA 20 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2wdk n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2wdk s LYS 21 N 0.00 3.92 0.27 0.00 -0.14 -1.26 -4.82 119.74 117.70 2wdk s LYS 21 Ca 0.00 2.04 0.18 0.00 -1.36 0.00 0.00 55.97 56.82 2wdk s LYS 21 Cb 0.00 -4.07 0.98 0.00 -1.68 0.00 0.00 37.83 33.06 2wdk s LYS 21 CO 0.00 -1.16 1.55 0.28 -0.76 0.00 0.00 175.35 175.26 2wdk n VAL 22 N 6.07 1.20 -0.22 3.17 0.31 -0.65 -0.77 118.33 127.44 2wdk n VAL 22 Ca 0.19 0.70 -0.08 0.00 -0.01 0.00 0.00 64.34 65.14 2wdk n VAL 22 Cb 0.44 -1.70 0.03 0.00 -0.91 0.00 0.00 33.84 31.70 2wdk n VAL 22 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2wdk h LYS 23 N 0.00 1.05 0.03 5.55 1.63 -1.77 -3.00 116.57 120.06 2wdk h LYS 23 Ca 0.00 -0.28 -0.23 0.00 -0.85 0.00 0.00 60.65 59.29 2wdk h LYS 23 Cb 0.01 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.51 2wdk h LYS 23 CO 0.00 0.98 -1.00 0.00 -3.45 0.00 0.00 179.45 175.98 2wdk h ALA 24 N 1.03 0.35 0.00 5.00 0.00 -1.31 -3.30 119.26 121.03 2wdk h ALA 24 Ca 0.19 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2wdk h ALA 24 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2wdk h ALA 24 CO 0.01 0.90 0.00 2.41 0.00 0.00 0.00 179.25 182.57 2wdk n THR 25 N -3.65 0.14 -3.83 0.00 -1.04 -1.11 -4.64 114.28 100.15 2wdk n THR 25 Ca -0.06 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.88 2wdk n THR 25 Cb 0.88 -0.41 -0.02 0.00 -1.82 0.00 0.00 70.33 68.96 2wdk n THR 25 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wdk s LEU 26 N 0.00 -0.28 0.00 -4.42 1.43 -1.24 -5.06 118.68 109.11 2wdk s LEU 26 Ca 0.00 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 2wdk s LEU 26 Cb 0.00 2.70 0.00 0.00 0.03 0.00 0.00 46.19 48.92 2wdk s LEU 26 CO 0.00 -1.30 0.00 0.61 0.23 0.00 0.00 176.35 175.89 2wdk n GLY 27 N -0.45 5.12 3.55 -3.19 0.00 -1.26 -4.99 105.19 103.97 2wdk n GLY 27 Ca -0.05 -1.69 -0.26 0.00 0.00 0.00 0.00 46.02 44.02 2wdk n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wdk s GLU 28 N 3.73 1.89 -0.03 1.61 2.02 -1.26 -4.89 118.70 121.77 2wdk s GLU 28 Ca 0.00 0.98 0.04 0.00 0.02 0.00 0.00 54.97 56.01 2wdk s GLU 28 Cb 0.00 -4.67 -0.00 0.00 0.10 0.00 0.00 34.13 29.56 2wdk s GLU 28 CO 0.00 -3.78 -0.13 -0.59 0.02 0.00 0.00 175.26 170.78 2wdk s PHE 29 N 13.25 1.30 -0.87 1.61 -0.12 -1.26 -5.09 117.98 126.81 2wdk s PHE 29 Ca 0.95 -0.33 -0.23 0.00 -0.05 0.00 0.00 56.93 57.26 2wdk s PHE 29 Cb -0.15 -0.89 0.06 0.00 -0.63 0.00 0.00 43.02 41.42 2wdk s PHE 29 CO 0.18 -0.11 1.27 0.34 -0.05 0.00 0.00 175.22 176.85 2wdk s ASP 30 N 0.03 6.38 0.00 1.98 2.15 -1.26 -4.88 116.67 121.07 2wdk s ASP 30 Ca -0.02 -1.23 0.00 0.00 0.43 0.00 0.00 52.55 51.74 2wdk s ASP 30 Cb -0.09 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 2wdk s ASP 30 CO 0.01 -1.50 0.61 0.00 -0.17 0.00 0.00 175.17 174.12 2wdk n LEU 31 N 8.39 1.82 -0.00 -1.34 -0.00 -1.26 -1.10 117.00 123.51 2wdk n LEU 31 Ca 0.18 -0.91 0.03 0.00 -0.00 0.00 0.00 56.01 55.30 2wdk n LEU 31 Cb 0.49 -0.32 -0.04 0.00 -0.00 0.00 0.00 43.42 43.55 2wdk n LEU 31 CO 0.64 0.31 -0.40 -1.14 -0.00 0.00 0.00 177.39 176.79 2wdk n ARG 32 N 0.64 1.65 -2.69 1.47 3.00 -1.26 -4.18 116.66 115.29 2wdk n ARG 32 Ca 0.00 -0.04 -0.43 0.00 -0.00 0.00 0.00 57.85 57.39 2wdk n ARG 32 Cb 0.31 -1.03 -0.02 0.00 0.00 0.00 0.00 32.46 31.71 2wdk n ARG 32 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2wdk s ASP 33 N -2.33 7.17 -0.59 6.15 3.68 -0.26 -4.91 116.67 125.58 2wdk s ASP 33 Ca -0.01 1.44 -0.00 0.00 2.13 0.00 0.00 52.55 56.12 2wdk s ASP 33 Cb 0.04 -2.54 0.52 0.00 -1.45 0.00 0.00 42.92 39.48 2wdk s ASP 33 CO 0.24 -0.53 2.00 0.00 0.13 0.00 0.00 175.17 177.00 2wdk n TYR 34 N 5.55 3.15 0.00 -5.34 0.18 -1.26 -4.54 117.16 114.90 2wdk n TYR 34 Ca 0.10 -2.63 0.00 0.00 1.88 0.00 0.00 57.90 57.25 2wdk n TYR 34 Cb 0.48 -1.28 0.00 0.00 -0.38 0.00 0.00 39.34 38.16 2wdk n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2wdk n ARG 35 N -0.97 0.00 -0.73 -3.48 1.74 -1.26 -4.42 116.66 107.54 2wdk n ARG 35 Ca 0.61 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 57.37 2wdk n ARG 35 Cb 0.99 -0.60 -0.05 0.00 -1.02 0.00 0.00 32.46 31.77 2wdk n ARG 35 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2wdk n ASN 36 N -1.82 2.28 0.00 0.55 6.94 -1.26 -4.77 115.26 117.19 2wdk n ASN 36 Ca 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 54.58 52.10 2wdk n ASN 36 Cb 0.13 -0.87 0.00 0.00 -2.36 0.00 0.00 39.78 36.69 2wdk n ASN 36 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 2wdk n VAL 37 N 5.71 0.00 -0.17 3.53 0.24 -1.26 0.13 118.33 126.51 2wdk n VAL 37 Ca 0.40 0.28 0.24 0.00 -2.04 0.00 0.00 64.34 63.23 2wdk n VAL 37 Cb 0.29 -0.41 0.37 0.00 -1.47 0.00 0.00 33.84 32.62 2wdk n VAL 37 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wdk n GLU 38 N -0.76 0.01 0.02 7.34 1.02 -1.26 0.21 120.64 127.22 2wdk n GLU 38 Ca 0.00 0.94 -0.01 0.00 -0.02 0.00 0.00 57.16 58.07 2wdk n GLU 38 Cb 0.00 -2.35 -0.00 0.00 -0.02 0.00 0.00 31.44 29.07 2wdk n GLU 38 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wdk h VAL 39 N 0.00 0.00 -0.34 2.62 2.07 -0.70 -3.29 116.25 116.62 2wdk h VAL 39 Ca 0.43 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.88 2wdk h VAL 39 Cb 2.67 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 2wdk h VAL 39 CO -0.00 0.00 0.16 -0.07 0.02 0.00 0.00 177.57 177.67 2wdk h LEU 40 N -0.16 0.23 -1.29 2.57 4.07 -0.41 -2.65 115.31 117.66 2wdk h LEU 40 Ca -0.01 0.02 0.40 0.00 0.08 0.00 0.00 57.88 58.37 2wdk h LEU 40 Cb 0.05 -0.02 -0.08 0.00 1.08 0.00 0.00 40.66 41.68 2wdk h LEU 40 CO 0.01 0.17 0.89 1.17 -1.08 0.00 0.00 178.44 179.60 2wdk n LYS 41 N -4.96 -0.01 -0.02 1.13 3.00 0.55 0.13 118.16 117.98 2wdk n LYS 41 Ca 0.00 0.88 0.00 0.00 -0.00 0.00 0.00 58.31 59.19 2wdk n LYS 41 Cb 0.09 -1.88 0.01 0.00 0.00 0.00 0.00 35.03 33.25 2wdk n LYS 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2wdk n ARG 42 N -3.79 1.10 -0.01 1.64 0.63 -1.00 -2.62 116.66 112.61 2wdk n ARG 42 Ca 0.32 -0.11 0.01 0.00 -0.92 0.00 0.00 57.85 57.15 2wdk n ARG 42 Cb 1.37 -1.24 0.02 0.00 0.45 0.00 0.00 32.46 33.06 2wdk n ARG 42 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2wdk n PHE 43 N -0.23 0.00 -2.86 -0.14 3.01 0.34 -4.86 117.46 112.73 2wdk n PHE 43 Ca 0.01 -0.53 -0.33 0.00 1.01 0.00 0.00 57.45 57.61 2wdk n PHE 43 Cb 0.13 -0.06 -0.02 0.00 -0.01 0.00 0.00 39.48 39.53 2wdk n PHE 43 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2wdk n LEU 44 N -0.59 5.58 0.00 4.37 4.77 -1.08 -2.89 117.00 127.17 2wdk n LEU 44 Ca 0.02 -5.55 0.00 0.00 -0.03 0.00 0.00 56.01 50.45 2wdk n LEU 44 Cb 0.31 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 2wdk n LEU 44 CO 0.00 2.20 0.00 -1.54 -1.33 0.00 0.00 177.39 176.72 2wdk n SER 45 N -0.06 0.00 -0.51 -1.43 3.41 -1.14 -3.79 113.62 110.10 2wdk n SER 45 Ca 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 2wdk n SER 45 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 2wdk n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wdk n GLU 46 N 2.73 0.00 0.00 4.33 -0.58 -1.26 -4.75 120.64 121.11 2wdk n GLU 46 Ca 0.00 -0.99 0.00 0.00 -0.42 0.00 0.00 57.16 55.75 2wdk n GLU 46 Cb 0.00 -0.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.39 2wdk n GLU 46 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2wdk n THR 47 N 0.00 0.00 0.00 2.62 -2.24 -1.26 -4.50 114.28 108.90 2wdk n THR 47 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2wdk n THR 47 Cb 0.70 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 70.21 2wdk n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wdk n GLY 48 N 0.00 2.63 3.00 3.38 0.00 -1.25 -2.45 105.19 110.51 2wdk n GLY 48 Ca 0.00 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 2wdk n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdk n LYS 49 N 0.00 0.00 -2.66 1.61 4.76 -1.26 -4.70 118.16 115.91 2wdk n LYS 49 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 2wdk n LYS 49 Cb 0.00 -0.96 0.01 0.00 -1.84 0.00 0.00 35.03 32.24 2wdk n LYS 49 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2wdk n ILE 50 N -1.93 5.81 0.00 -0.18 2.08 -1.26 -2.91 119.36 120.97 2wdk n ILE 50 Ca 0.03 -5.78 0.00 0.00 0.56 0.00 0.00 62.75 57.56 2wdk n ILE 50 Cb 0.50 -1.74 0.00 0.00 -0.75 0.00 0.00 39.64 37.64 2wdk n ILE 50 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2wdk n LEU 51 N 0.54 0.00 -4.02 1.39 4.77 -1.14 -4.82 117.00 113.72 2wdk n LEU 51 Ca 0.43 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 56.22 2wdk n LEU 51 Cb 0.28 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.50 2wdk n LEU 51 CO 0.59 0.00 -0.14 -0.81 -1.33 0.00 0.00 177.39 175.70 2wdk n PRO 52 N 0.00 -1.94 0.22 3.23 -0.04 -1.26 -4.59 135.00 130.62 2wdk n PRO 52 Ca 0.00 -0.57 0.14 0.00 -0.04 0.00 0.00 63.50 63.03 2wdk n PRO 52 Cb 0.00 -1.44 0.41 0.00 -0.04 0.00 0.00 33.50 32.43 2wdk n PRO 52 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2wdk h ARG 53 N -2.50 0.00 0.00 0.54 2.43 -1.95 -2.80 114.38 110.10 2wdk h ARG 53 Ca -0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 2wdk h ARG 53 Cb 0.80 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 2wdk h ARG 53 CO 0.17 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 179.17 2wdk n ARG 54 N -2.95 0.13 0.00 0.20 1.74 -1.26 -0.40 116.66 114.12 2wdk n ARG 54 Ca 0.03 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2wdk n ARG 54 Cb 0.42 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 2wdk n ARG 54 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wdk n ARG 55 N -1.15 0.51 -0.04 5.56 5.12 -1.12 -4.72 116.66 120.81 2wdk n ARG 55 Ca 0.03 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.07 2wdk n ARG 55 Cb 0.03 -0.80 0.49 0.00 -1.16 0.00 0.00 32.46 31.03 2wdk n ARG 55 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2wdk n THR 56 N -1.94 0.11 -2.01 0.55 -2.24 -1.07 -1.63 114.28 106.04 2wdk n THR 56 Ca 0.00 -0.24 -0.06 0.00 -2.27 0.00 0.00 64.05 61.49 2wdk n THR 56 Cb 0.30 0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.74 2wdk n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wdk n GLY 57 N 1.08 -0.27 1.09 3.38 0.00 0.46 -3.86 105.19 107.07 2wdk n GLY 57 Ca 0.17 0.01 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 2wdk n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wdk n LEU 58 N -1.69 0.00 -4.95 0.99 4.32 -1.26 -4.87 117.00 109.54 2wdk n LEU 58 Ca 0.02 -0.51 -0.19 0.00 -0.02 0.00 0.00 56.01 55.30 2wdk n LEU 58 Cb 0.28 -0.23 -0.00 0.00 -1.62 0.00 0.00 43.42 41.85 2wdk n LEU 58 CO 0.13 -0.70 0.11 -0.55 -1.22 0.00 0.00 177.39 175.15 2wdk s SER 59 N -2.26 5.29 0.14 -1.43 0.15 -1.26 -4.84 113.70 109.49 2wdk s SER 59 Ca 0.20 -0.65 -0.18 0.00 0.70 0.00 0.00 55.95 56.02 2wdk s SER 59 Cb -0.01 -0.45 0.02 0.00 -1.71 0.00 0.00 66.02 63.87 2wdk s SER 59 CO 0.14 -0.80 1.70 0.00 1.20 0.00 0.00 173.24 175.48 2wdk h ALA 60 N 0.75 0.22 -0.71 5.45 0.00 -1.99 0.77 119.26 123.76 2wdk h ALA 60 Ca -0.39 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 2wdk h ALA 60 Cb 1.28 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 2wdk h ALA 60 CO 0.50 -0.44 0.19 -0.22 0.00 0.00 0.00 179.25 179.28 2wdk h LYS 61 N 0.05 1.12 0.08 0.00 3.64 -2.01 -2.91 116.57 116.54 2wdk h LYS 61 Ca 0.13 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2wdk h LYS 61 Cb 0.19 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2wdk h LYS 61 CO -0.25 0.98 -0.04 0.93 -2.27 0.00 0.00 179.45 178.80 2wdk h GLU 62 N 1.06 -0.10 -0.89 1.90 5.08 -1.76 -3.09 114.58 116.77 2wdk h GLU 62 Ca 0.22 0.01 0.23 0.00 -1.00 0.00 0.00 59.36 58.82 2wdk h GLU 62 Cb 0.35 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 2wdk h GLU 62 CO -0.00 0.36 0.62 0.37 -1.00 0.00 0.00 179.01 179.36 2wdk h GLN 63 N -0.61 0.18 0.00 2.33 5.75 0.53 -2.03 115.11 121.27 2wdk h GLN 63 Ca -0.01 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2wdk h GLN 63 Cb 0.51 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.02 2wdk h GLN 63 CO 0.02 0.12 0.00 0.54 -2.65 0.00 0.00 178.83 176.85 2wdk n ARG 64 N -4.39 0.00 -0.05 1.69 1.74 -1.10 -2.41 116.66 112.14 2wdk n ARG 64 Ca 0.19 0.46 0.23 0.00 -0.77 0.00 0.00 57.85 57.96 2wdk n ARG 64 Cb 0.84 -1.17 0.51 0.00 -1.02 0.00 0.00 32.46 31.62 2wdk n ARG 64 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 2wdk h ILE 65 N 0.00 0.10 0.00 0.55 3.07 -1.45 -1.24 117.51 118.54 2wdk h ILE 65 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 2wdk h ILE 65 Cb 0.00 0.22 0.00 0.00 -0.27 0.00 0.00 36.82 36.77 2wdk h ILE 65 CO 0.00 0.00 0.00 -0.11 -1.05 0.00 0.00 178.15 176.99 2wdk n LEU 66 N -3.28 0.10 -0.55 0.16 7.94 -0.77 -3.02 117.00 117.58 2wdk n LEU 66 Ca 0.15 0.64 0.44 0.00 -1.11 0.00 0.00 56.01 56.14 2wdk n LEU 66 Cb 1.16 -0.47 0.72 0.00 0.53 0.00 0.00 43.42 45.36 2wdk n LEU 66 CO 0.22 -0.47 1.30 0.00 -1.11 0.00 0.00 177.39 177.32 2wdk n ALA 67 N -1.92 1.53 -0.03 1.96 0.00 -0.52 0.14 120.51 121.67 2wdk n ALA 67 Ca 0.00 0.79 -0.12 0.00 0.00 0.00 0.00 53.44 54.11 2wdk n ALA 67 Cb 0.00 -1.08 -0.07 0.00 0.00 0.00 0.00 19.45 18.30 2wdk n ALA 67 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wdk h LYS 68 N 0.00 0.18 -0.50 0.00 6.56 -1.52 -0.31 116.57 120.99 2wdk h LYS 68 Ca 0.90 -0.07 -0.10 0.00 -1.06 0.00 0.00 60.65 60.32 2wdk h LYS 68 Cb 3.13 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 34.76 2wdk h LYS 68 CO -0.31 0.48 -0.09 1.79 -2.06 0.00 0.00 179.45 179.26 2wdk h THR 69 N -0.13 1.26 -0.56 -0.16 1.35 0.13 -0.67 112.91 114.13 2wdk h THR 69 Ca 0.03 -1.20 0.08 0.00 -0.55 0.00 0.00 66.41 64.77 2wdk h THR 69 Cb 0.41 0.98 -0.07 0.00 -1.73 0.00 0.00 68.15 67.74 2wdk h THR 69 CO 0.01 0.42 0.20 0.40 -0.25 0.00 0.00 175.52 176.30 2wdk h ILE 70 N 0.82 0.79 0.31 6.82 1.08 -0.43 -0.32 117.51 126.58 2wdk h ILE 70 Ca 0.14 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.46 2wdk h ILE 70 Cb 0.61 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.75 2wdk h ILE 70 CO 0.04 0.07 -0.15 0.11 -0.69 0.00 0.00 178.15 177.53 2wdk h LYS 71 N 0.38 -0.41 -0.70 2.37 1.57 -0.50 -2.13 116.57 117.14 2wdk h LYS 71 Ca 0.28 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 59.23 2wdk h LYS 71 Cb 0.32 0.09 -0.13 0.00 0.08 0.00 0.00 32.23 32.60 2wdk h LYS 71 CO -0.28 -0.18 -0.08 0.00 -0.57 0.00 0.00 179.45 178.34 2wdk h ARG 72 N -0.56 0.05 -0.92 3.15 3.08 -0.44 0.17 114.38 118.91 2wdk h ARG 72 Ca -0.04 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2wdk h ARG 72 Cb 0.41 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 2wdk h ARG 72 CO 0.07 0.04 0.52 0.00 -1.07 0.00 0.00 179.97 179.53 2wdk h ALA 73 N 1.67 1.18 -0.83 0.04 0.00 -0.99 -1.85 119.26 118.48 2wdk h ALA 73 Ca 0.36 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.22 2wdk h ALA 73 Cb 0.59 -0.37 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 2wdk h ALA 73 CO -0.66 0.67 0.50 0.00 0.00 0.00 0.00 179.25 179.76 2wdk h ARG 74 N 1.28 0.86 -0.10 0.00 3.08 -0.30 0.15 114.38 119.35 2wdk h ARG 74 Ca 0.33 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 2wdk h ARG 74 Cb 0.00 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 2wdk h ARG 74 CO -0.05 0.57 -0.01 0.82 -1.07 0.00 0.00 179.97 180.23 2wdk h ILE 75 N 0.88 1.07 -0.29 2.04 2.04 -0.54 0.60 117.51 123.31 2wdk h ILE 75 Ca 0.38 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.96 2wdk h ILE 75 Cb 0.24 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2wdk h ILE 75 CO -0.20 0.09 0.00 0.18 0.00 0.00 0.00 178.15 178.22 2wdk n LEU 76 N -4.44 3.09 -2.32 1.44 7.99 0.42 -4.89 117.00 118.28 2wdk n LEU 76 Ca -0.01 -1.56 -0.13 0.00 -0.01 0.00 0.00 56.01 54.29 2wdk n LEU 76 Cb 0.14 -0.54 -0.01 0.00 -0.11 0.00 0.00 43.42 42.90 2wdk n LEU 76 CO 0.35 0.44 -0.17 0.61 -1.51 0.00 0.00 177.39 177.12 2wdk n GLY 77 N 0.42 -0.31 0.13 -0.72 0.00 0.20 -4.82 105.19 100.10 2wdk n GLY 77 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 2wdk n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wdk n LEU 78 N -2.73 2.42 -4.61 0.99 4.77 -0.61 -4.88 117.00 112.35 2wdk n LEU 78 Ca -0.16 0.16 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 2wdk n LEU 78 Cb 0.60 -0.92 -0.10 0.00 -2.33 0.00 0.00 43.42 40.67 2wdk n LEU 78 CO 0.19 0.71 -0.28 -0.76 -1.33 0.00 0.00 177.39 175.91 2wdk s LEU 79 N -7.13 3.65 0.47 2.23 1.43 -1.22 -4.96 118.68 113.15 2wdk s LEU 79 Ca -0.34 0.04 -0.24 0.00 -1.03 0.00 0.00 54.13 52.56 2wdk s LEU 79 Cb 0.10 -1.90 -0.08 0.00 0.03 0.00 0.00 46.19 44.34 2wdk s LEU 79 CO 0.59 0.20 1.36 -2.65 0.23 0.00 0.00 176.35 176.07 2wdk n PRO 80 N 3.37 1.99 0.14 1.29 -0.02 -1.26 -4.13 135.00 136.39 2wdk n PRO 80 Ca -0.17 0.71 0.12 0.00 -2.02 0.00 0.00 63.50 62.15 2wdk n PRO 80 Cb 0.52 -2.54 0.27 0.00 -0.02 0.00 0.00 33.50 31.73 2wdk n PRO 80 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2wdk h PHE 81 N 1.96 0.00 -0.63 6.00 -1.00 -1.91 -3.46 116.94 117.90 2wdk h PHE 81 Ca -0.50 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.28 2wdk h PHE 81 Cb 1.29 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.85 2wdk h PHE 81 CO 0.48 0.00 0.00 -2.37 -1.61 0.00 0.00 178.31 174.81 2wdk n THR 82 N -2.59 0.00 0.00 -1.55 5.66 -1.26 -4.79 114.28 109.75 2wdk n THR 82 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 2wdk n THR 82 Cb 0.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 2wdk n THR 82 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2wdk n GLU 83 N 0.00 0.00 -2.21 1.09 0.28 -1.02 -4.55 120.64 114.22 2wdk n GLU 83 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.67 2wdk n GLU 83 Cb 0.00 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.86 2wdk n GLU 83 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2wdk s LYS 84 N -0.69 3.51 0.95 3.44 -0.14 -1.26 -4.15 119.74 121.40 2wdk s LYS 84 Ca 0.00 1.21 -0.15 0.00 -1.36 0.00 0.00 55.97 55.67 2wdk s LYS 84 Cb 0.00 -2.06 0.18 0.00 -1.68 0.00 0.00 37.83 34.27 2wdk s LYS 84 CO 0.00 -0.65 1.23 -1.17 -0.76 0.00 0.00 175.35 174.00 2wdk s LEU 85 N -4.20 2.28 0.08 3.17 2.96 -1.26 -4.89 118.68 116.82 2wdk s LEU 85 Ca 0.64 0.54 0.10 0.00 -0.22 0.00 0.00 54.13 55.19 2wdk s LEU 85 Cb -0.15 -2.68 -0.03 0.00 0.50 0.00 0.00 46.19 43.82 2wdk s LEU 85 CO 0.32 -2.71 -0.26 -0.69 -1.32 0.00 0.00 176.35 171.69 2wdk s VAL 86 N -3.61 2.26 0.00 1.68 1.01 -1.26 -4.96 120.40 115.53 2wdk s VAL 86 Ca 0.69 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2wdk s VAL 86 Cb -0.08 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.36 2wdk s VAL 86 CO 0.53 0.24 0.00 -2.11 0.00 0.00 0.00 175.10 173.76 2wdk n ARG 87 N 1.38 -1.05 0.00 2.72 0.00 -1.26 -5.27 116.66 113.18 2wdk n ARG 87 Ca -0.17 1.02 0.00 0.00 -0.00 0.00 0.00 57.85 58.70 2wdk n ARG 87 Cb 0.52 -0.70 0.00 0.00 -0.00 0.00 0.00 32.46 32.28 2wdk n ARG 87 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26