#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdl s GLU 2 N 0.00 0.60 -0.11 2.12 -1.05 -1.26 -4.37 118.70 114.62 2wdl s GLU 2 Ca 0.00 0.64 -0.03 0.00 -0.15 0.00 0.00 54.97 55.43 2wdl s GLU 2 Cb 0.00 0.29 -0.03 0.00 -0.44 0.00 0.00 34.13 33.95 2wdl s GLU 2 CO 0.00 -0.08 -0.00 0.00 0.95 0.00 0.00 175.26 176.12 2wdl s ALA 3 N 0.14 3.22 0.15 -0.84 0.00 -0.70 -4.94 121.76 118.80 2wdl s ALA 3 Ca -0.01 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.18 2wdl s ALA 3 Cb -0.03 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 2wdl s ALA 3 CO 0.01 0.46 0.25 0.21 0.00 0.00 0.00 175.76 176.69 2wdl s LYS 4 N -0.47 3.31 0.00 0.00 2.20 -1.26 -0.41 119.74 123.11 2wdl s LYS 4 Ca 0.08 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 55.03 2wdl s LYS 4 Cb -0.12 -2.89 0.00 0.00 -1.51 0.00 0.00 37.83 33.31 2wdl s LYS 4 CO 0.02 0.51 0.00 0.00 -0.36 0.00 0.00 175.35 175.52 2wdl n ALA 5 N -0.48 0.00 0.00 3.13 0.00 0.13 -4.67 120.51 118.61 2wdl n ALA 5 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2wdl n ALA 5 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2wdl n ALA 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wdl n ILE 6 N 0.00 0.00 -3.97 0.00 5.41 -1.22 -4.79 119.36 114.79 2wdl n ILE 6 Ca 0.00 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.44 2wdl n ILE 6 Cb 0.00 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 38.78 2wdl n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wdl s ALA 7 N 0.00 2.43 0.86 -1.39 0.00 0.94 -4.98 121.76 119.62 2wdl s ALA 7 Ca 0.00 -2.02 -0.13 0.00 0.00 0.00 0.00 51.96 49.81 2wdl s ALA 7 Cb 0.00 -1.74 0.12 0.00 0.00 0.00 0.00 23.12 21.51 2wdl s ALA 7 CO 0.00 -1.50 1.22 1.03 0.00 0.00 0.00 175.76 176.52 2wdl s ARG 8 N 1.15 1.48 -1.31 0.00 0.52 -1.26 -2.09 118.95 117.44 2wdl s ARG 8 Ca 0.04 -0.12 -0.17 0.00 -0.52 0.00 0.00 55.73 54.96 2wdl s ARG 8 Cb -0.19 -1.93 0.17 0.00 0.52 0.00 0.00 34.95 33.52 2wdl s ARG 8 CO -0.10 -1.88 0.42 0.66 0.02 0.00 0.00 175.30 174.42 2wdl n TYR 9 N -3.46 -1.23 -0.08 -0.53 0.53 -1.20 -4.88 117.16 106.31 2wdl n TYR 9 Ca 0.11 0.48 -0.03 0.00 -1.02 0.00 0.00 57.90 57.43 2wdl n TYR 9 Cb 0.60 -1.50 -0.03 0.00 -1.03 0.00 0.00 39.34 37.39 2wdl n TYR 9 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 2wdl h VAL 10 N -0.60 0.00 -0.69 -0.72 2.07 -1.09 -3.45 116.25 111.76 2wdl h VAL 10 Ca -0.42 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2wdl h VAL 10 Cb 1.17 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2wdl h VAL 10 CO 0.62 0.00 0.00 -1.14 0.02 0.00 0.00 177.57 177.07 2wdl n ARG 11 N -3.54 0.00 -3.57 1.57 0.00 -1.26 -4.85 116.66 105.00 2wdl n ARG 11 Ca -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.71 2wdl n ARG 11 Cb 0.08 -0.40 -0.06 0.00 0.00 0.00 0.00 32.46 32.08 2wdl n ARG 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2wdl s ILE 12 N -2.12 0.00 0.30 5.15 2.07 -1.23 -4.95 121.20 120.42 2wdl s ILE 12 Ca 0.00 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 58.95 2wdl s ILE 12 Cb 0.00 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.49 2wdl s ILE 12 CO 0.00 0.00 1.30 -0.55 -1.91 0.00 0.00 174.94 173.78 2wdl s SER 13 N -0.62 6.84 0.07 4.50 0.15 -1.26 -3.03 113.70 120.34 2wdl s SER 13 Ca -0.05 2.59 -0.35 0.00 0.70 0.00 0.00 55.95 58.84 2wdl s SER 13 Cb -0.02 -2.64 -0.20 0.00 -1.71 0.00 0.00 66.02 61.46 2wdl s SER 13 CO 0.04 -0.50 1.60 -0.65 1.20 0.00 0.00 173.24 174.93 2wdl h PRO 14 N 3.91 -1.07 -1.56 5.44 0.11 -1.92 -2.07 132.00 134.83 2wdl h PRO 14 Ca -0.48 0.07 0.50 0.00 0.11 0.00 0.00 66.00 66.21 2wdl h PRO 14 Cb 1.22 0.24 -0.12 0.00 0.11 0.00 0.00 31.00 32.46 2wdl h PRO 14 CO 0.69 -0.71 1.05 -2.13 -0.21 0.00 0.00 178.00 176.68 2wdl n ARG 15 N -5.57 -0.02 0.03 1.05 0.63 -1.26 -0.99 116.66 110.52 2wdl n ARG 15 Ca -0.15 1.19 -0.01 0.00 -0.92 0.00 0.00 57.85 57.96 2wdl n ARG 15 Cb 0.45 -2.46 -0.00 0.00 0.45 0.00 0.00 32.46 30.89 2wdl n ARG 15 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2wdl h LYS 16 N 0.00 -0.07 -0.59 -0.14 1.79 -1.76 -3.33 116.57 112.48 2wdl h LYS 16 Ca 0.89 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 59.54 2wdl h LYS 16 Cb 3.12 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 33.76 2wdl h LYS 16 CO -0.32 -0.04 0.43 -0.39 -1.08 0.00 0.00 179.45 178.05 2wdl h VAL 17 N -0.10 0.68 -0.99 0.50 -1.51 -0.90 -1.51 116.25 112.42 2wdl h VAL 17 Ca -0.01 0.00 0.17 0.00 -1.23 0.00 0.00 66.70 65.64 2wdl h VAL 17 Cb 0.05 0.70 -0.10 0.00 -2.13 0.00 0.00 31.29 29.81 2wdl h VAL 17 CO 0.01 0.00 0.60 0.03 -1.23 0.00 0.00 177.57 176.98 2wdl h ARG 18 N 0.00 0.78 0.00 5.19 3.08 -1.43 0.46 114.38 122.45 2wdl h ARG 18 Ca 0.28 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2wdl h ARG 18 Cb 1.14 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.01 2wdl h ARG 18 CO -0.00 0.51 0.09 -0.07 -1.07 0.00 0.00 179.97 179.43 2wdl h LEU 19 N 0.80 0.00 0.00 3.04 4.07 -1.41 0.45 115.31 122.27 2wdl h LEU 19 Ca 0.55 0.00 -0.39 0.00 0.08 0.00 0.00 57.88 58.12 2wdl h LEU 19 Cb 0.79 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.47 2wdl h LEU 19 CO -0.36 0.00 -2.41 0.52 -1.08 0.00 0.00 178.44 175.11 2wdl n VAL 20 N -2.48 1.41 0.08 1.22 0.31 0.14 -3.84 118.33 115.18 2wdl n VAL 20 Ca -0.02 -0.48 -0.12 0.00 -0.01 0.00 0.00 64.34 63.71 2wdl n VAL 20 Cb 0.13 -1.52 -0.07 0.00 -0.91 0.00 0.00 33.84 31.47 2wdl n VAL 20 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2wdl h VAL 21 N -0.30 0.86 -0.28 2.52 2.07 -0.31 0.60 116.25 121.41 2wdl h VAL 21 Ca -0.58 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.02 2wdl h VAL 21 Cb 1.76 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 2wdl h VAL 21 CO -0.19 0.00 0.39 0.44 0.02 0.00 0.00 177.57 178.24 2wdl h ASP 22 N -0.14 0.00 1.24 0.57 3.45 -0.34 -0.02 116.42 121.18 2wdl h ASP 22 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2wdl h ASP 22 Cb 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 2wdl h ASP 22 CO -0.01 0.00 0.00 -0.11 -1.57 0.00 0.00 179.24 177.55 2wdl n LEU 23 N -3.51 0.65 0.00 1.55 7.94 0.19 -3.78 117.00 120.05 2wdl n LEU 23 Ca 0.04 0.58 0.00 0.00 -1.11 0.00 0.00 56.01 55.52 2wdl n LEU 23 Cb 0.53 -0.40 0.00 0.00 0.53 0.00 0.00 43.42 44.08 2wdl n LEU 23 CO 0.24 -0.23 0.27 2.30 -1.11 0.00 0.00 177.39 178.86 2wdl n ILE 24 N -2.13 0.30 -2.03 1.96 -5.35 -0.07 -4.98 119.36 107.06 2wdl n ILE 24 Ca 0.05 -0.43 -0.42 0.00 -0.27 0.00 0.00 62.75 61.68 2wdl n ILE 24 Cb 0.37 1.06 -0.03 0.00 -1.74 0.00 0.00 39.64 39.30 2wdl n ILE 24 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2wdl s ARG 25 N -0.30 4.27 0.00 6.28 3.52 -0.92 -2.59 118.95 129.20 2wdl s ARG 25 Ca 0.00 2.26 0.00 0.00 -0.13 0.00 0.00 55.73 57.86 2wdl s ARG 25 Cb 0.00 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 30.23 2wdl s ARG 25 CO 0.00 -0.47 0.00 0.41 -0.81 0.00 0.00 175.30 174.43 2wdl n GLY 26 N 2.95 2.90 3.89 8.12 0.00 -0.58 -5.03 105.19 117.44 2wdl n GLY 26 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2wdl n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdl s LYS 27 N -0.26 3.16 0.24 1.61 1.02 -1.07 -4.64 119.74 119.80 2wdl s LYS 27 Ca 0.00 0.46 -0.30 0.00 0.02 0.00 0.00 55.97 56.15 2wdl s LYS 27 Cb 0.00 -2.11 -0.09 0.00 -0.52 0.00 0.00 37.83 35.11 2wdl s LYS 27 CO 0.00 -0.77 1.17 -1.54 -0.92 0.00 0.00 175.35 173.29 2wdl s SER 28 N -4.27 7.12 0.26 2.83 1.04 -1.26 -0.51 113.70 118.90 2wdl s SER 28 Ca 0.56 2.30 -0.07 0.00 0.48 0.00 0.00 55.95 59.21 2wdl s SER 28 Cb -0.11 -2.62 0.45 0.00 0.10 0.00 0.00 66.02 63.84 2wdl s SER 28 CO 0.51 -0.30 1.61 0.25 0.98 0.00 0.00 173.24 176.29 2wdl h LEU 29 N 4.47 -0.55 -0.73 2.42 5.85 -1.82 0.85 115.31 125.80 2wdl h LEU 29 Ca -0.46 0.23 0.12 0.00 0.84 0.00 0.00 57.88 58.61 2wdl h LEU 29 Cb 1.21 0.44 -0.08 0.00 0.37 0.00 0.00 40.66 42.60 2wdl h LEU 29 CO 0.70 -0.25 0.33 -0.08 -0.34 0.00 0.00 178.44 178.81 2wdl h GLU 30 N 0.04 0.51 0.01 1.25 4.22 -1.87 -2.36 114.58 116.38 2wdl h GLU 30 Ca 0.44 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.84 2wdl h GLU 30 Cb 0.76 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2wdl h GLU 30 CO -0.79 0.34 -0.00 1.49 -2.18 0.00 0.00 179.01 177.87 2wdl h GLU 31 N 0.53 -0.01 -0.95 1.92 4.81 0.03 -3.32 114.58 117.59 2wdl h GLU 31 Ca 0.38 0.00 0.29 0.00 -0.13 0.00 0.00 59.36 59.90 2wdl h GLU 31 Cb 0.49 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.72 2wdl h GLU 31 CO -0.33 0.81 0.39 0.00 -0.73 0.00 0.00 179.01 179.15 2wdl h ALA 32 N 0.08 1.63 -0.36 2.92 0.00 0.27 0.29 119.26 124.09 2wdl h ALA 32 Ca -0.00 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.15 2wdl h ALA 32 Cb 0.82 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2wdl h ALA 32 CO 0.00 -0.55 0.19 0.00 0.00 0.00 0.00 179.25 178.89 2wdl h ARG 33 N 0.24 0.37 -0.59 0.00 3.08 -1.52 -1.84 114.38 114.12 2wdl h ARG 33 Ca 0.65 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.67 2wdl h ARG 33 Cb 1.44 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.37 2wdl h ARG 33 CO -0.66 0.25 0.31 -0.91 -1.07 0.00 0.00 179.97 177.89 2wdl h ASN 34 N 0.38 0.73 0.50 7.04 -0.26 -0.54 0.16 115.58 123.59 2wdl h ASN 34 Ca 0.15 -0.06 -0.02 0.00 -0.56 0.00 0.00 56.30 55.81 2wdl h ASN 34 Cb 0.05 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.13 2wdl h ASN 34 CO -0.10 0.60 -0.24 0.40 -1.06 0.00 0.00 177.43 177.03 2wdl h ILE 35 N 0.82 0.00 -0.76 2.81 2.04 -0.71 -2.77 117.51 118.94 2wdl h ILE 35 Ca 0.21 -0.13 0.16 0.00 1.00 0.00 0.00 64.86 66.10 2wdl h ILE 35 Cb 0.04 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.01 2wdl h ILE 35 CO -0.03 0.00 0.24 -0.07 0.00 0.00 0.00 178.15 178.28 2wdl h LEU 36 N -0.81 0.13 -1.16 1.44 3.38 -1.31 0.15 115.31 117.14 2wdl h LEU 36 Ca -0.07 0.14 0.37 0.00 0.09 0.00 0.00 57.88 58.41 2wdl h LEU 36 Cb 0.51 0.16 -0.14 0.00 0.09 0.00 0.00 40.66 41.28 2wdl h LEU 36 CO 0.11 0.01 0.66 -0.09 0.09 0.00 0.00 178.44 179.22 2wdl h ARG 37 N 0.33 0.18 0.00 1.13 9.65 -0.59 -2.27 114.38 122.81 2wdl h ARG 37 Ca 0.43 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.30 2wdl h ARG 37 Cb 0.72 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.26 2wdl h ARG 37 CO -0.48 0.12 -0.01 0.66 2.80 0.00 0.00 179.97 183.06 2wdl n TYR 38 N -4.95 0.00 -3.06 2.20 4.01 0.36 -5.00 117.16 110.72 2wdl n TYR 38 Ca 0.34 -0.68 -0.41 0.00 -0.16 0.00 0.00 57.90 57.00 2wdl n TYR 38 Cb 1.19 -0.09 -0.06 0.00 -0.31 0.00 0.00 39.34 40.07 2wdl n TYR 38 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2wdl s THR 39 N -1.70 4.96 -1.28 -0.72 2.01 -0.21 -4.98 115.64 113.72 2wdl s THR 39 Ca 0.13 1.24 -0.18 0.00 0.31 0.00 0.00 61.69 63.19 2wdl s THR 39 Cb 0.11 -3.98 0.08 0.00 0.01 0.00 0.00 72.50 68.72 2wdl s THR 39 CO 0.01 0.03 1.70 0.21 -0.69 0.00 0.00 174.62 175.89 2wdl s ASN 40 N 1.36 6.85 -0.21 3.53 3.84 -1.26 -4.80 114.94 124.24 2wdl s ASN 40 Ca 0.29 -2.47 -0.18 0.00 0.21 0.00 0.00 52.86 50.71 2wdl s ASN 40 Cb -0.16 -2.56 0.06 0.00 -0.55 0.00 0.00 41.25 38.04 2wdl s ASN 40 CO 0.09 -1.14 0.56 -0.54 -2.79 0.00 0.00 177.10 173.28 2wdl s LYS 41 N 4.00 0.63 0.36 0.43 -0.14 -1.26 -5.04 119.74 118.72 2wdl s LYS 41 Ca 0.53 0.85 0.11 0.00 -1.36 0.00 0.00 55.97 56.09 2wdl s LYS 41 Cb 0.03 0.25 0.88 0.00 -1.68 0.00 0.00 37.83 37.31 2wdl s LYS 41 CO 0.07 -0.10 1.85 -0.09 -0.76 0.00 0.00 175.35 176.31 2wdl h ARG 42 N 5.76 0.61 -0.60 1.68 2.43 -2.00 -1.87 114.38 120.39 2wdl h ARG 42 Ca -0.29 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 58.93 2wdl h ARG 42 Cb 1.18 -0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 30.52 2wdl h ARG 42 CO 0.17 0.40 0.23 0.78 -1.51 0.00 0.00 179.97 180.04 2wdl h GLY 43 N 0.62 0.84 -0.88 2.80 0.00 -1.94 -3.00 103.07 101.50 2wdl h GLY 43 Ca 0.48 -0.12 0.10 0.00 0.00 0.00 0.00 47.33 47.79 2wdl h GLY 43 CO -0.23 -0.01 -0.45 0.00 0.00 0.00 0.00 176.54 175.85 2wdl n ALA 44 N -2.46 -0.39 -0.31 3.60 0.00 -0.70 -0.54 120.51 119.71 2wdl n ALA 44 Ca 0.08 0.80 0.12 0.00 0.00 0.00 0.00 53.44 54.44 2wdl n ALA 44 Cb 0.26 -0.23 0.26 0.00 0.00 0.00 0.00 19.45 19.74 2wdl n ALA 44 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2wdl h TYR 45 N 0.00 0.01 -0.05 0.00 3.20 -1.69 0.83 116.97 119.27 2wdl h TYR 45 Ca 0.21 0.06 -0.11 0.00 3.14 0.00 0.00 58.73 62.03 2wdl h TYR 45 Cb 0.43 0.14 0.01 0.00 1.54 0.00 0.00 36.73 38.85 2wdl h TYR 45 CO -0.86 -0.35 -0.39 0.74 -1.64 0.00 0.00 178.16 175.66 2wdl h PHE 46 N 0.06 0.49 -0.81 -3.82 0.04 -0.96 -1.93 116.94 110.02 2wdl h PHE 46 Ca 0.55 -0.23 0.05 0.00 2.80 0.00 0.00 57.97 61.14 2wdl h PHE 46 Cb 1.08 -0.07 -0.06 0.00 2.20 0.00 0.00 35.95 39.11 2wdl h PHE 46 CO -0.44 1.00 0.50 0.28 -0.60 0.00 0.00 178.31 179.04 2wdl h VAL 47 N -0.15 1.05 0.01 -0.55 2.07 0.02 -1.61 116.25 117.09 2wdl h VAL 47 Ca -0.03 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 2wdl h VAL 47 Cb 1.06 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2wdl h VAL 47 CO 0.08 0.17 -0.01 0.00 0.02 0.00 0.00 177.57 177.83 2wdl h ALA 48 N 1.37 -0.79 -0.40 1.67 0.00 0.62 -1.46 119.26 120.27 2wdl h ALA 48 Ca 0.35 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.29 2wdl h ALA 48 Cb 0.12 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2wdl h ALA 48 CO -0.16 -0.79 -0.23 1.63 0.00 0.00 0.00 179.25 179.70 2wdl n LYS 49 N -2.25 -0.17 -0.16 0.00 4.76 -0.73 0.07 118.16 119.69 2wdl n LYS 49 Ca -0.00 0.69 -0.08 0.00 -2.87 0.00 0.00 58.31 56.05 2wdl n LYS 49 Cb 0.01 -1.02 0.01 0.00 -1.84 0.00 0.00 35.03 32.19 2wdl n LYS 49 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 2wdl h VAL 50 N 0.00 1.14 -0.49 -0.18 3.04 -1.26 -1.97 116.25 116.53 2wdl h VAL 50 Ca 0.06 -0.33 -0.07 0.00 -1.01 0.00 0.00 66.70 65.36 2wdl h VAL 50 Cb 0.16 0.52 -0.02 0.00 -2.01 0.00 0.00 31.29 29.95 2wdl h VAL 50 CO -0.37 0.15 0.04 0.25 -1.01 0.00 0.00 177.57 176.62 2wdl h LEU 51 N 0.62 0.82 -1.96 3.16 7.12 0.46 0.56 115.31 126.08 2wdl h LEU 51 Ca 0.17 -0.29 0.00 0.00 0.13 0.00 0.00 57.88 57.89 2wdl h LEU 51 Cb -0.01 -0.22 0.00 0.00 -0.53 0.00 0.00 40.66 39.90 2wdl h LEU 51 CO -0.03 0.90 0.00 -0.08 -0.13 0.00 0.00 178.44 179.10 2wdl h GLU 52 N 0.71 0.00 0.01 1.25 4.57 -0.16 0.57 114.58 121.53 2wdl h GLU 52 Ca 0.14 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.97 2wdl h GLU 52 Cb 0.46 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.99 2wdl h GLU 52 CO 0.02 0.00 -2.17 0.45 -1.18 0.00 0.00 179.01 176.13 2wdl n SER 53 N -2.79 0.71 -0.28 1.04 2.88 -0.67 -3.18 113.62 111.33 2wdl n SER 53 Ca -0.01 0.12 -0.06 0.00 -1.33 0.00 0.00 58.87 57.59 2wdl n SER 53 Cb 0.14 0.34 0.06 0.00 -0.75 0.00 0.00 64.21 64.00 2wdl n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wdl h ALA 54 N 0.78 1.00 0.41 -1.46 0.00 0.99 -2.31 119.26 118.68 2wdl h ALA 54 Ca -0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 2wdl h ALA 54 Cb 2.12 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 2wdl h ALA 54 CO 0.03 0.66 -0.44 0.00 0.00 0.00 0.00 179.25 179.51 2wdl h ALA 55 N 1.14 -0.96 -0.82 0.00 0.00 -1.06 -0.17 119.26 117.39 2wdl h ALA 55 Ca 0.25 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.17 2wdl h ALA 55 Cb 0.28 0.65 -0.15 0.00 0.00 0.00 0.00 17.79 18.56 2wdl h ALA 55 CO -0.01 -1.08 -0.21 0.00 0.00 0.00 0.00 179.25 177.94 2wdl h ALA 56 N -0.58 0.51 0.28 0.00 0.00 -1.43 -0.01 119.26 118.05 2wdl h ALA 56 Ca -0.04 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2wdl h ALA 56 Cb 0.78 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2wdl h ALA 56 CO -0.08 -0.42 -0.14 -0.91 0.00 0.00 0.00 179.25 177.71 2wdl h ASN 57 N -0.01 -0.32 -0.94 0.00 -0.26 -1.03 0.19 115.58 113.21 2wdl h ASN 57 Ca 0.39 -0.06 0.23 0.00 -0.56 0.00 0.00 56.30 56.30 2wdl h ASN 57 Cb 0.60 0.08 -0.18 0.00 -1.06 0.00 0.00 38.32 37.76 2wdl h ASN 57 CO -0.84 -0.15 -0.09 0.00 -1.06 0.00 0.00 177.43 175.29 2wdl n ALA 58 N -2.31 0.37 -0.99 -0.83 0.00 -0.09 -0.40 120.51 116.26 2wdl n ALA 58 Ca -0.10 1.02 0.00 0.00 0.00 0.00 0.00 53.44 54.37 2wdl n ALA 58 Cb 0.20 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2wdl n ALA 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wdl n VAL 59 N -5.46 0.00 -0.40 0.00 0.31 -0.78 -2.47 118.33 109.53 2wdl n VAL 59 Ca 0.19 0.12 0.35 0.00 -0.01 0.00 0.00 64.34 65.00 2wdl n VAL 59 Cb 0.62 -0.24 0.61 0.00 -0.91 0.00 0.00 33.84 33.91 2wdl n VAL 59 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2wdl n ASN 60 N -0.51 0.23 -0.00 4.52 2.85 0.65 -0.59 115.26 122.41 2wdl n ASN 60 Ca 0.00 1.36 0.04 0.00 -0.11 0.00 0.00 54.58 55.86 2wdl n ASN 60 Cb 0.00 -0.66 -0.05 0.00 1.24 0.00 0.00 39.78 40.30 2wdl n ASN 60 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2wdl n ASN 61 N -4.71 2.25 -0.41 1.20 5.03 0.46 -4.74 115.26 114.35 2wdl n ASN 61 Ca 0.37 -0.23 0.02 0.00 0.87 0.00 0.00 54.58 55.61 2wdl n ASN 61 Cb 1.39 1.23 0.03 0.00 -1.02 0.00 0.00 39.78 41.41 2wdl n ASN 61 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2wdl n HIS 62 N -1.57 0.00 -0.95 3.10 8.25 -1.08 -5.03 115.22 117.94 2wdl n HIS 62 Ca -0.00 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 2wdl n HIS 62 Cb 0.17 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.21 2wdl n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2wdl n ASP 63 N -0.28 -1.14 0.00 0.41 5.75 0.24 -4.87 116.55 116.65 2wdl n ASP 63 Ca 0.03 0.07 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 2wdl n ASP 63 Cb 0.68 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 2wdl n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2wdl n MET 64 N 0.65 2.81 -0.77 0.11 2.81 -1.11 -4.99 117.12 116.64 2wdl n MET 64 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2wdl n MET 64 Cb 0.08 -0.94 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 2wdl n MET 64 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2wdl n LEU 65 N -1.92 -1.94 -0.17 4.03 0.00 -1.26 -4.59 117.00 111.15 2wdl n LEU 65 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 56.01 56.16 2wdl n LEU 65 Cb 0.44 -0.97 0.27 0.00 0.00 0.00 0.00 43.42 43.16 2wdl n LEU 65 CO 0.00 0.00 0.52 1.21 0.00 0.00 0.00 177.39 179.12 2wdl n GLU 66 N 0.09 -0.03 0.06 1.96 2.13 -1.26 -1.56 120.64 122.02 2wdl n GLU 66 Ca 0.00 0.75 -0.11 0.00 0.66 0.00 0.00 57.16 58.45 2wdl n GLU 66 Cb 0.00 -1.30 -0.05 0.00 0.27 0.00 0.00 31.44 30.36 2wdl n GLU 66 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2wdl h ASP 67 N 0.00 -0.37 0.63 4.31 3.32 -2.02 -2.79 116.42 119.50 2wdl h ASP 67 Ca 0.42 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.45 2wdl h ASP 67 Cb 1.05 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 2wdl h ASP 67 CO -0.43 -0.18 -0.34 0.03 -1.72 0.00 0.00 179.24 176.60 2wdl h ARG 68 N -0.22 0.00 -6.63 3.56 2.47 -1.54 -3.47 114.38 108.55 2wdl h ARG 68 Ca 0.04 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 58.18 2wdl h ARG 68 Cb 0.27 0.00 0.15 0.00 -1.65 0.00 0.00 29.97 28.74 2wdl h ARG 68 CO -0.12 0.34 0.00 1.28 0.56 0.00 0.00 179.97 182.02 2wdl n LEU 69 N -3.70 2.29 -3.55 3.04 4.77 -1.05 0.52 117.00 119.32 2wdl n LEU 69 Ca -0.01 0.91 -0.09 0.00 -0.03 0.00 0.00 56.01 56.79 2wdl n LEU 69 Cb 0.44 -1.31 -0.04 0.00 -2.33 0.00 0.00 43.42 40.19 2wdl n LEU 69 CO 0.36 -1.99 0.75 -0.72 -1.33 0.00 0.00 177.39 174.46 2wdl s TYR 70 N -1.43 -0.35 -1.07 -1.77 -0.85 -0.41 -2.67 117.35 108.80 2wdl s TYR 70 Ca 0.67 0.42 -0.25 0.00 -0.52 0.00 0.00 57.07 57.39 2wdl s TYR 70 Cb -0.51 0.49 -0.16 0.00 0.38 0.00 0.00 41.96 42.16 2wdl s TYR 70 CO 0.54 -0.42 2.08 0.08 -1.52 0.00 0.00 175.55 176.31 2wdl s VAL 71 N -2.06 3.22 0.17 -3.49 1.01 0.33 -1.46 120.40 118.11 2wdl s VAL 71 Ca 0.02 -0.34 -0.26 0.00 0.00 0.00 0.00 61.98 61.40 2wdl s VAL 71 Cb -0.01 -4.07 0.03 0.00 0.00 0.00 0.00 36.38 32.33 2wdl s VAL 71 CO -0.03 -0.41 1.57 0.50 0.00 0.00 0.00 175.10 176.73 2wdl h LYS 72 N 11.12 -0.24 -3.23 2.72 1.63 -1.30 -1.55 116.57 125.71 2wdl h LYS 72 Ca 0.08 0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.91 2wdl h LYS 72 Cb 0.98 0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 32.59 2wdl h LYS 72 CO 1.09 -0.16 0.10 0.00 -3.45 0.00 0.00 179.45 177.03 2wdl s ALA 73 N -5.84 -0.94 -0.20 5.00 0.00 -1.02 -4.57 121.76 114.19 2wdl s ALA 73 Ca -0.14 -0.38 -0.29 0.00 0.00 0.00 0.00 51.96 51.15 2wdl s ALA 73 Cb 0.13 0.91 0.14 0.00 0.00 0.00 0.00 23.12 24.29 2wdl s ALA 73 CO 0.66 -0.92 1.06 0.00 0.00 0.00 0.00 175.76 176.56 2wdl s ALA 74 N -3.92 -1.97 0.17 0.00 0.00 -1.26 0.03 121.76 114.81 2wdl s ALA 74 Ca 0.13 1.67 -0.24 0.00 0.00 0.00 0.00 51.96 53.52 2wdl s ALA 74 Cb -0.03 -0.97 0.06 0.00 0.00 0.00 0.00 23.12 22.17 2wdl s ALA 74 CO 0.04 -0.28 0.81 1.52 0.00 0.00 0.00 175.76 177.85 2wdl s TYR 75 N -0.81 -0.25 -0.24 0.00 -0.85 -0.32 -4.94 117.35 109.95 2wdl s TYR 75 Ca 0.01 -0.06 -0.01 0.00 -0.52 0.00 0.00 57.07 56.49 2wdl s TYR 75 Cb -0.02 0.63 0.07 0.00 0.38 0.00 0.00 41.96 43.03 2wdl s TYR 75 CO -0.01 -0.92 0.01 0.54 -1.52 0.00 0.00 175.55 173.64 2wdl s VAL 76 N -3.55 1.07 0.33 -3.49 0.11 -1.26 -0.89 120.40 112.73 2wdl s VAL 76 Ca 0.09 -1.06 -0.18 0.00 -2.93 0.00 0.00 61.98 57.91 2wdl s VAL 76 Cb -0.03 -1.53 -0.09 0.00 -1.53 0.00 0.00 36.38 33.20 2wdl s VAL 76 CO -0.00 -0.26 0.79 -1.81 -3.33 0.00 0.00 175.10 170.48 2wdl s ASP 77 N 1.58 6.88 0.05 3.54 1.01 -1.03 -4.82 116.67 123.89 2wdl s ASP 77 Ca -0.01 1.42 -0.28 0.00 0.71 0.00 0.00 52.55 54.40 2wdl s ASP 77 Cb -0.18 -2.43 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 2wdl s ASP 77 CO -0.10 -0.20 0.87 -0.70 0.21 0.00 0.00 175.17 175.25 2wdl s GLU 78 N -2.83 4.58 0.45 8.23 2.12 -1.26 -0.31 118.70 129.69 2wdl s GLU 78 Ca 0.54 1.26 0.07 0.00 0.36 0.00 0.00 54.97 57.19 2wdl s GLU 78 Cb -0.11 -3.40 0.02 0.00 0.26 0.00 0.00 34.13 30.90 2wdl s GLU 78 CO 0.17 0.17 0.62 0.20 -0.54 0.00 0.00 175.26 175.88 2wdl s GLY 79 N 0.26 1.91 0.21 -1.50 0.00 -0.47 -4.88 107.32 102.86 2wdl s GLY 79 Ca 0.44 -1.64 -0.31 0.00 0.00 0.00 0.00 44.72 43.21 2wdl s GLY 79 CO 0.26 -1.42 1.55 2.56 0.00 0.00 0.00 173.10 176.05 2wdl s PRO 80 N -4.45 4.20 0.28 2.90 0.04 -1.26 -4.25 135.00 132.47 2wdl s PRO 80 Ca 0.56 2.40 -0.09 0.00 0.04 0.00 0.00 61.00 63.91 2wdl s PRO 80 Cb -0.10 -3.11 -0.07 0.00 0.04 0.00 0.00 34.50 31.26 2wdl s PRO 80 CO 0.34 -0.58 0.61 0.00 0.04 0.00 0.00 177.00 177.42 2wdl s ALA 81 N 0.67 3.51 0.04 8.56 0.00 -1.26 -4.58 121.76 128.70 2wdl s ALA 81 Ca 0.67 -0.28 -0.22 0.00 0.00 0.00 0.00 51.96 52.12 2wdl s ALA 81 Cb -0.44 -2.49 -0.06 0.00 0.00 0.00 0.00 23.12 20.12 2wdl s ALA 81 CO 0.37 0.34 0.67 -0.51 0.00 0.00 0.00 175.76 176.63 2wdl s LEU 82 N -3.17 4.46 -0.49 0.00 1.02 -0.22 -4.93 118.68 115.36 2wdl s LEU 82 Ca 0.48 1.33 -0.11 0.00 0.02 0.00 0.00 54.13 55.85 2wdl s LEU 82 Cb -0.11 -3.07 0.12 0.00 0.02 0.00 0.00 46.19 43.15 2wdl s LEU 82 CO 0.24 0.11 0.39 -0.54 0.02 0.00 0.00 176.35 176.57 2wdl s LYS 83 N -0.38 2.65 0.53 1.70 1.02 -1.26 -0.94 119.74 123.06 2wdl s LYS 83 Ca 0.34 -1.72 -0.01 0.00 0.02 0.00 0.00 55.97 54.60 2wdl s LYS 83 Cb -0.20 -4.03 0.01 0.00 -0.52 0.00 0.00 37.83 33.09 2wdl s LYS 83 CO 0.20 -1.21 0.78 1.03 -0.92 0.00 0.00 175.35 175.23 2wdl s ARG 84 N 1.44 2.82 -0.29 1.68 1.81 -0.62 -4.93 118.95 120.88 2wdl s ARG 84 Ca 0.05 -0.44 0.01 0.00 -1.72 0.00 0.00 55.73 53.62 2wdl s ARG 84 Cb -0.27 -2.44 0.06 0.00 -0.45 0.00 0.00 34.95 31.84 2wdl s ARG 84 CO 0.01 -0.56 -0.04 0.08 -0.68 0.00 0.00 175.30 174.11 2wdl s VAL 85 N -2.76 2.59 -0.25 3.52 1.01 -1.26 -0.93 120.40 122.31 2wdl s VAL 85 Ca 0.53 -1.59 -0.14 0.00 0.00 0.00 0.00 61.98 60.78 2wdl s VAL 85 Cb -0.10 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 2wdl s VAL 85 CO 0.40 -0.13 0.35 -0.22 0.00 0.00 0.00 175.10 175.50 2wdl s LEU 86 N 1.16 4.07 0.60 3.92 2.96 0.12 -4.92 118.68 126.58 2wdl s LEU 86 Ca -0.05 0.30 -0.14 0.00 -0.22 0.00 0.00 54.13 54.02 2wdl s LEU 86 Cb -0.20 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 2wdl s LEU 86 CO -0.03 -0.13 1.03 -2.16 -1.32 0.00 0.00 176.35 173.74 2wdl s PRO 87 N 1.80 3.50 0.33 0.98 0.04 -1.26 0.12 135.00 140.52 2wdl s PRO 87 Ca 0.15 0.96 0.06 0.00 0.04 0.00 0.00 61.00 62.20 2wdl s PRO 87 Cb -0.15 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 2wdl s PRO 87 CO 0.09 -0.65 0.23 1.03 0.04 0.00 0.00 177.00 177.74 2wdl s ARG 88 N -4.57 1.73 0.43 4.56 1.81 -1.26 -4.71 118.95 116.94 2wdl s ARG 88 Ca 0.59 -2.01 -0.26 0.00 -1.72 0.00 0.00 55.73 52.33 2wdl s ARG 88 Cb -0.12 0.11 -0.09 0.00 -0.45 0.00 0.00 34.95 34.39 2wdl s ARG 88 CO 0.44 -0.58 1.42 0.00 -0.68 0.00 0.00 175.30 175.89 2wdl n ALA 89 N -0.65 1.98 -2.18 2.13 0.00 -1.26 -2.20 120.51 118.33 2wdl n ALA 89 Ca 0.04 0.27 -0.15 0.00 0.00 0.00 0.00 53.44 53.59 2wdl n ALA 89 Cb 0.63 -2.38 -0.01 0.00 0.00 0.00 0.00 19.45 17.69 2wdl n ALA 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdl n ARG 90 N -0.05 -1.20 -3.52 0.00 1.74 -1.26 -2.93 116.66 109.45 2wdl n ARG 90 Ca 0.05 0.78 -0.19 0.00 -0.77 0.00 0.00 57.85 57.72 2wdl n ARG 90 Cb 0.41 -5.10 0.08 0.00 -1.02 0.00 0.00 32.46 26.82 2wdl n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdl n GLY 91 N -1.03 -0.37 0.06 -0.13 0.00 -0.94 -4.94 105.19 97.85 2wdl n GLY 91 Ca -0.18 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 2wdl n GLY 91 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wdl h ARG 92 N -1.97 -0.00 -5.03 1.61 2.43 -1.39 -3.47 114.38 106.56 2wdl h ARG 92 Ca -0.59 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 2wdl h ARG 92 Cb 1.35 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.84 2wdl h ARG 92 CO 0.52 0.76 -1.23 0.00 -1.51 0.00 0.00 179.97 178.51 2wdl n ALA 93 N -2.49 -3.59 -2.27 2.80 0.00 -1.26 -4.82 120.51 108.88 2wdl n ALA 93 Ca -0.09 1.30 -0.20 0.00 0.00 0.00 0.00 53.44 54.44 2wdl n ALA 93 Cb 0.37 -2.55 -0.03 0.00 0.00 0.00 0.00 19.45 17.24 2wdl n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wdl s ASP 94 N -1.21 5.19 -0.14 0.00 -0.00 0.33 -4.92 116.67 115.92 2wdl s ASP 94 Ca -0.12 -0.64 0.00 0.00 -0.00 0.00 0.00 52.55 51.79 2wdl s ASP 94 Cb 0.01 -0.69 -0.01 0.00 -0.00 0.00 0.00 42.92 42.23 2wdl s ASP 94 CO 0.78 -0.59 -0.15 0.27 -0.00 0.00 0.00 175.17 175.49 2wdl s ILE 95 N -2.41 2.80 -0.13 0.77 -4.36 -1.26 0.10 121.20 116.71 2wdl s ILE 95 Ca 0.47 -0.74 -0.11 0.00 -0.26 0.00 0.00 60.65 60.01 2wdl s ILE 95 Cb -0.05 -2.18 -0.05 0.00 1.25 0.00 0.00 42.46 41.44 2wdl s ILE 95 CO 0.28 0.52 0.24 -0.51 0.24 0.00 0.00 174.94 175.71 2wdl s ILE 96 N 0.63 5.34 -0.43 8.37 1.10 -0.11 -4.88 121.20 131.21 2wdl s ILE 96 Ca -0.08 0.43 -0.17 0.00 -0.51 0.00 0.00 60.65 60.32 2wdl s ILE 96 Cb -0.16 -3.55 0.03 0.00 0.15 0.00 0.00 42.46 38.94 2wdl s ILE 96 CO 0.03 0.50 0.41 -0.54 -2.11 0.00 0.00 174.94 173.23 2wdl s LYS 97 N -0.27 3.05 -0.80 3.50 1.02 -1.26 -1.59 119.74 123.39 2wdl s LYS 97 Ca 0.16 -0.91 -0.25 0.00 0.02 0.00 0.00 55.97 54.99 2wdl s LYS 97 Cb -0.13 -4.00 0.05 0.00 -0.52 0.00 0.00 37.83 33.23 2wdl s LYS 97 CO 0.04 -0.88 1.25 0.15 -0.92 0.00 0.00 175.35 174.99 2wdl s LYS 98 N 2.00 3.30 1.09 1.68 -0.14 -0.12 -4.95 119.74 122.61 2wdl s LYS 98 Ca 0.10 -0.66 -0.16 0.00 -1.36 0.00 0.00 55.97 53.88 2wdl s LYS 98 Cb -0.19 -4.51 0.24 0.00 -1.68 0.00 0.00 37.83 31.69 2wdl s LYS 98 CO 0.12 -2.08 1.13 1.03 -0.76 0.00 0.00 175.35 174.79 2wdl s ARG 99 N 5.04 -0.36 0.05 1.68 0.52 -1.26 -1.05 118.95 123.56 2wdl s ARG 99 Ca 0.35 0.07 -0.14 0.00 -0.52 0.00 0.00 55.73 55.49 2wdl s ARG 99 Cb -0.08 -1.68 0.02 0.00 0.52 0.00 0.00 34.95 33.73 2wdl s ARG 99 CO 0.07 -3.17 0.31 -0.08 0.02 0.00 0.00 175.30 172.45 2wdl s THR 100 N -3.13 0.08 0.40 0.02 -1.32 -1.24 -3.47 115.64 106.98 2wdl s THR 100 Ca 0.69 -0.67 0.05 0.00 -1.21 0.00 0.00 61.69 60.55 2wdl s THR 100 Cb -0.12 -0.95 -0.07 0.00 -1.51 0.00 0.00 72.50 69.86 2wdl s THR 100 CO 0.56 -0.37 0.03 -0.44 -2.21 0.00 0.00 174.62 172.18 2wdl s SER 101 N -2.08 3.48 -0.45 8.08 0.01 -1.17 -1.36 113.70 120.20 2wdl s SER 101 Ca -0.05 -1.41 0.06 0.00 1.31 0.00 0.00 55.95 55.85 2wdl s SER 101 Cb -0.01 -0.19 0.20 0.00 0.21 0.00 0.00 66.02 66.24 2wdl s SER 101 CO -0.04 -0.55 0.44 1.41 0.41 0.00 0.00 173.24 174.92 2wdl n HIS 102 N -0.93 0.02 -2.06 2.43 8.25 0.58 -0.67 115.22 122.85 2wdl n HIS 102 Ca -0.06 -3.56 -0.43 0.00 -0.26 0.00 0.00 57.72 53.42 2wdl n HIS 102 Cb 0.67 -0.09 -0.03 0.00 1.12 0.00 0.00 29.99 31.66 2wdl n HIS 102 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2wdl s ILE 103 N -0.69 3.54 -0.08 1.59 1.01 -0.89 -2.46 121.20 123.22 2wdl s ILE 103 Ca 0.33 0.53 -0.00 0.00 0.00 0.00 0.00 60.65 61.51 2wdl s ILE 103 Cb 0.08 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 2wdl s ILE 103 CO -0.15 -0.52 -0.04 -0.89 0.00 0.00 0.00 174.94 173.33 2wdl s THR 104 N 6.83 3.93 0.01 2.92 2.01 -0.07 -0.04 115.64 131.23 2wdl s THR 104 Ca 0.75 -0.39 -0.01 0.00 0.31 0.00 0.00 61.69 62.35 2wdl s THR 104 Cb -0.20 -2.62 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 2wdl s THR 104 CO 0.32 0.60 -0.00 -0.69 -0.69 0.00 0.00 174.62 174.16 2wdl s VAL 105 N -0.81 0.08 -0.01 3.82 1.01 -1.26 -1.17 120.40 122.06 2wdl s VAL 105 Ca 0.12 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2wdl s VAL 105 Cb -0.11 -0.23 0.01 0.00 0.00 0.00 0.00 36.38 36.05 2wdl s VAL 105 CO 0.02 -0.39 0.01 0.27 0.00 0.00 0.00 175.10 175.01 2wdl s ILE 106 N -1.15 0.02 0.25 2.22 -4.36 0.10 0.19 121.20 118.47 2wdl s ILE 106 Ca -0.13 0.06 0.08 0.00 -0.26 0.00 0.00 60.65 60.40 2wdl s ILE 106 Cb -0.08 -0.07 -0.04 0.00 1.25 0.00 0.00 42.46 43.52 2wdl s ILE 106 CO -0.01 0.04 0.12 -0.76 0.24 0.00 0.00 174.94 174.58 2wdl s LEU 107 N 0.39 3.60 0.21 0.37 1.02 0.46 -0.93 118.68 123.81 2wdl s LEU 107 Ca -0.03 -0.38 -0.10 0.00 0.02 0.00 0.00 54.13 53.64 2wdl s LEU 107 Cb -0.05 -2.13 -0.01 0.00 0.02 0.00 0.00 46.19 44.01 2wdl s LEU 107 CO -0.01 -0.02 0.36 -0.83 0.02 0.00 0.00 176.35 175.87 2wdl s GLY 108 N -3.72 0.69 0.12 -3.19 0.00 -0.54 -1.72 107.32 98.97 2wdl s GLY 108 Ca 0.32 -1.03 -0.04 0.00 0.00 0.00 0.00 44.72 43.97 2wdl s GLY 108 CO 0.23 -0.83 0.35 -0.54 0.00 0.00 0.00 173.10 172.31 2wdl s GLU 109 N -4.03 3.60 0.00 2.90 2.02 -1.26 -1.29 118.70 120.64 2wdl s GLU 109 Ca 0.24 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.11 2wdl s GLU 109 Cb 0.02 -2.89 0.00 0.00 0.10 0.00 0.00 34.13 31.36 2wdl s GLU 109 CO 0.07 0.50 0.00 1.17 0.02 0.00 0.00 175.26 177.02 2wdl n LYS 110 N 0.20 0.82 -0.09 1.61 3.00 0.18 -4.92 118.16 118.97 2wdl n LYS 110 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 2wdl n LYS 110 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.55 2wdl n LYS 110 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 2wdl n HIS 111 N -0.58 -1.99 0.00 5.64 1.44 -1.26 -5.05 115.22 113.41 2wdl n HIS 111 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2wdl n HIS 111 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2wdl n HIS 111 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2wdl n GLY 112 N 5.00 -1.60 0.00 -1.39 0.00 -1.26 -5.10 105.19 100.84 2wdl n GLY 112 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 46.02 46.90 2wdl n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60