#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdl n ALA 4 N 0.00 0.00 0.76 6.98 0.00 -1.26 -4.29 120.51 122.70 2wdl n ALA 4 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2wdl n ALA 4 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 2wdl n ALA 4 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wdl n TYR 5 N 0.00 0.00 1.40 0.00 4.02 -1.26 -4.15 117.16 117.18 2wdl n TYR 5 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.03 2wdl n TYR 5 Cb 0.00 0.00 0.47 0.00 -0.02 0.00 0.00 39.34 39.79 2wdl n TYR 5 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2wdl n ASP 6 N 0.67 1.33 -0.02 7.72 8.00 -1.26 -3.92 116.55 129.07 2wdl n ASP 6 Ca 0.09 -1.27 -0.20 0.00 0.71 0.00 0.00 54.79 54.12 2wdl n ASP 6 Cb 0.42 0.05 -0.13 0.00 -0.02 0.00 0.00 41.12 41.44 2wdl n ASP 6 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2wdl h VAL 7 N 1.94 1.14 -3.55 2.53 2.07 -1.93 -3.42 116.25 115.04 2wdl h VAL 7 Ca 0.00 -2.37 -0.61 0.00 0.82 0.00 0.00 66.70 64.54 2wdl h VAL 7 Cb 0.50 2.75 -0.12 0.00 -1.52 0.00 0.00 31.29 32.90 2wdl h VAL 7 CO 0.00 0.63 -0.03 -0.63 0.02 0.00 0.00 177.57 177.55 2wdl s ILE 8 N -2.42 5.09 -0.20 4.57 1.09 -1.25 -1.86 121.20 126.22 2wdl s ILE 8 Ca -0.21 0.89 0.09 0.00 -1.10 0.00 0.00 60.65 60.32 2wdl s ILE 8 Cb 0.03 -3.83 -0.18 0.00 -1.06 0.00 0.00 42.46 37.43 2wdl s ILE 8 CO 0.73 0.12 -0.06 0.18 -0.10 0.00 0.00 174.94 175.81 2wdl n LEU 9 N 5.28 1.45 -3.59 2.97 4.77 -0.11 -4.94 117.00 122.82 2wdl n LEU 9 Ca -0.04 -0.06 -0.06 0.00 -0.03 0.00 0.00 56.01 55.82 2wdl n LEU 9 Cb 0.50 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 2wdl n LEU 9 CO 0.41 0.64 0.95 0.00 -1.33 0.00 0.00 177.39 178.06 2wdl s ALA 10 N -2.43 -2.02 0.72 -1.18 0.00 -1.15 -4.99 121.76 110.71 2wdl s ALA 10 Ca -0.19 1.61 -0.12 0.00 0.00 0.00 0.00 51.96 53.27 2wdl s ALA 10 Cb 0.06 -0.58 0.03 0.00 0.00 0.00 0.00 23.12 22.63 2wdl s ALA 10 CO 0.61 -0.44 1.09 -1.25 0.00 0.00 0.00 175.76 175.77 2wdl s PRO 11 N -1.78 2.58 0.00 0.00 0.04 -1.26 0.39 135.00 134.97 2wdl s PRO 11 Ca 0.06 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2wdl s PRO 11 Cb -0.01 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2wdl s PRO 11 CO -0.04 -1.40 0.94 1.33 0.04 0.00 0.00 177.00 177.87 2wdl n VAL 12 N -3.09 0.00 -2.38 -0.36 0.24 -0.66 -4.54 118.33 107.55 2wdl n VAL 12 Ca 0.09 1.44 -0.04 0.00 -2.04 0.00 0.00 64.34 63.79 2wdl n VAL 12 Cb 0.53 -2.33 0.02 0.00 -1.47 0.00 0.00 33.84 30.59 2wdl n VAL 12 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2wdl n LEU 13 N -2.05 -4.24 -3.67 1.34 4.77 -1.26 -4.96 117.00 106.92 2wdl n LEU 13 Ca 0.00 -0.21 -0.15 0.00 -0.03 0.00 0.00 56.01 55.63 2wdl n LEU 13 Cb 0.00 -2.08 -0.07 0.00 -2.33 0.00 0.00 43.42 38.93 2wdl n LEU 13 CO 0.00 -0.27 0.17 -0.94 -1.33 0.00 0.00 177.39 175.02 2wdl s SER 14 N -2.87 -0.35 0.22 -1.43 1.04 -1.26 -4.98 113.70 104.07 2wdl s SER 14 Ca 0.12 0.25 -0.10 0.00 0.48 0.00 0.00 55.95 56.70 2wdl s SER 14 Cb -0.02 0.40 0.30 0.00 0.10 0.00 0.00 66.02 66.81 2wdl s SER 14 CO 0.40 -0.54 1.30 1.21 0.98 0.00 0.00 173.24 176.59 2wdl n GLU 15 N 1.01 -0.13 0.10 4.02 4.07 -1.26 0.14 120.64 128.59 2wdl n GLU 15 Ca -0.20 1.30 -0.02 0.00 -0.06 0.00 0.00 57.16 58.17 2wdl n GLU 15 Cb 0.57 -1.93 0.21 0.00 -0.06 0.00 0.00 31.44 30.23 2wdl n GLU 15 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 2wdl h LYS 16 N 0.00 0.21 0.00 5.31 3.64 -1.99 -2.83 116.57 120.91 2wdl h LYS 16 Ca 0.35 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 2wdl h LYS 16 Cb 0.56 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 2wdl h LYS 16 CO -0.85 0.63 -0.23 0.00 -2.27 0.00 0.00 179.45 176.73 2wdl h ALA 17 N 1.36 -0.31 -0.33 5.00 0.00 0.83 -2.55 119.26 123.26 2wdl h ALA 17 Ca 0.01 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2wdl h ALA 17 Cb 0.88 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2wdl h ALA 17 CO 0.07 -0.73 -0.28 1.88 0.00 0.00 0.00 179.25 180.19 2wdl h TYR 18 N -0.36 0.79 -0.90 0.00 0.05 -1.47 -3.08 116.97 111.99 2wdl h TYR 18 Ca 0.06 -0.19 0.22 0.00 0.05 0.00 0.00 58.73 58.87 2wdl h TYR 18 Cb 0.44 -0.18 -0.16 0.00 1.01 0.00 0.00 36.73 37.83 2wdl h TYR 18 CO -0.27 0.89 -0.03 0.00 -1.05 0.00 0.00 178.16 177.70 2wdl h ALA 19 N 1.10 0.93 0.00 3.88 0.00 -1.19 0.16 119.26 124.14 2wdl h ALA 19 Ca 0.08 0.31 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 2wdl h ALA 19 Cb 0.77 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2wdl h ALA 19 CO 0.06 -0.48 -0.20 0.78 0.00 0.00 0.00 179.25 179.41 2wdl h GLY 20 N 0.04 0.00 0.56 0.00 0.00 -1.45 -3.21 103.07 99.01 2wdl h GLY 20 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 2wdl h GLY 20 CO -0.84 0.00 0.67 0.74 0.00 0.00 0.00 176.54 177.10 2wdl h PHE 21 N 0.00 0.00 -0.15 5.60 0.05 -0.67 -0.86 116.94 120.91 2wdl h PHE 21 Ca -0.00 0.00 0.02 0.00 3.82 0.00 0.00 57.97 61.80 2wdl h PHE 21 Cb 0.37 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.31 2wdl h PHE 21 CO 0.00 0.00 0.04 0.00 -0.18 0.00 0.00 178.31 178.17 2wdl h ALA 22 N 0.56 0.16 -6.54 2.45 0.00 -1.73 -3.43 119.26 110.73 2wdl h ALA 22 Ca 0.00 0.02 -0.50 0.00 0.00 0.00 0.00 54.91 54.44 2wdl h ALA 22 Cb 1.33 0.02 0.04 0.00 0.00 0.00 0.00 17.79 19.18 2wdl h ALA 22 CO 0.00 -0.40 -0.05 0.39 0.00 0.00 0.00 179.25 179.19 2wdl n GLU 23 N -5.07 0.50 -0.25 0.00 4.71 -0.33 -4.92 120.64 115.29 2wdl n GLU 23 Ca -0.04 -3.16 0.00 0.00 -0.01 0.00 0.00 57.16 53.95 2wdl n GLU 23 Cb 0.07 -0.30 0.00 0.00 -1.01 0.00 0.00 31.44 30.20 2wdl n GLU 23 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wdl n GLY 24 N -2.35 1.52 3.33 0.62 0.00 -1.26 -4.65 105.19 102.39 2wdl n GLY 24 Ca 0.17 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.73 2wdl n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdl s LYS 25 N 0.96 3.91 -0.15 1.61 1.02 -1.24 0.89 119.74 126.76 2wdl s LYS 25 Ca 0.00 -2.87 -0.08 0.00 0.02 0.00 0.00 55.97 53.04 2wdl s LYS 25 Cb 0.00 -4.49 -0.04 0.00 -0.52 0.00 0.00 37.83 32.78 2wdl s LYS 25 CO 0.00 -1.26 0.13 0.71 -0.92 0.00 0.00 175.35 174.00 2wdl s TYR 26 N -0.61 3.51 -0.05 3.18 1.51 -0.54 -3.35 117.35 121.00 2wdl s TYR 26 Ca 0.25 0.43 0.06 0.00 -1.01 0.00 0.00 57.07 56.80 2wdl s TYR 26 Cb -0.10 -2.01 -0.01 0.00 -0.11 0.00 0.00 41.96 39.73 2wdl s TYR 26 CO -0.08 0.56 -0.23 -0.08 -1.11 0.00 0.00 175.55 174.61 2wdl s THR 27 N -0.52 1.86 0.12 -0.71 -1.32 -1.26 0.21 115.64 114.02 2wdl s THR 27 Ca 0.12 -0.96 0.05 0.00 -1.21 0.00 0.00 61.69 59.69 2wdl s THR 27 Cb -0.12 -1.58 -0.04 0.00 -1.51 0.00 0.00 72.50 69.26 2wdl s THR 27 CO 0.02 0.52 -0.13 -0.36 -2.21 0.00 0.00 174.62 172.46 2wdl s PHE 28 N -0.12 1.31 -0.19 9.09 0.40 0.89 -1.65 117.98 127.71 2wdl s PHE 28 Ca -0.03 -0.60 -0.29 0.00 -0.60 0.00 0.00 56.93 55.40 2wdl s PHE 28 Cb -0.13 -0.68 -0.01 0.00 0.51 0.00 0.00 43.02 42.71 2wdl s PHE 28 CO 0.03 0.11 1.20 -1.58 0.70 0.00 0.00 175.22 175.68 2wdl s TRP 29 N -2.38 2.98 0.47 0.36 0.23 0.16 -1.14 118.94 119.62 2wdl s TRP 29 Ca 0.09 1.13 0.04 0.00 -2.03 0.00 0.00 56.10 55.34 2wdl s TRP 29 Cb -0.03 -3.46 -0.03 0.00 0.03 0.00 0.00 33.47 29.98 2wdl s TRP 29 CO 0.02 -1.36 0.11 0.14 0.96 0.00 0.00 176.95 176.81 2wdl s VAL 30 N 3.45 1.66 -0.42 4.03 -7.23 0.44 -0.93 120.40 121.40 2wdl s VAL 30 Ca 0.52 -1.85 -0.29 0.00 -1.81 0.00 0.00 61.98 58.55 2wdl s VAL 30 Cb -0.20 -2.52 0.01 0.00 0.56 0.00 0.00 36.38 34.24 2wdl s VAL 30 CO 0.12 0.00 1.40 -2.28 -0.31 0.00 0.00 175.10 174.03 2wdl s HIS 31 N -2.77 2.42 0.12 2.82 2.46 -0.77 -3.77 115.29 115.79 2wdl s HIS 31 Ca 0.24 0.67 -0.04 0.00 0.47 0.00 0.00 55.06 56.40 2wdl s HIS 31 Cb 0.03 -4.33 0.18 0.00 -0.13 0.00 0.00 32.58 28.34 2wdl s HIS 31 CO 0.13 -1.94 0.66 -0.35 -2.47 0.00 0.00 174.74 170.78 2wdl n PRO 32 N 8.08 -0.05 0.00 2.88 -0.04 -1.26 0.18 135.00 144.79 2wdl n PRO 32 Ca 0.16 0.66 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 2wdl n PRO 32 Cb 0.48 -0.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 2wdl n PRO 32 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wdl n LYS 33 N -4.68 0.73 -2.92 0.54 4.76 -1.26 -4.83 118.16 110.50 2wdl n LYS 33 Ca 0.06 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.16 2wdl n LYS 33 Cb 0.21 -1.00 -0.07 0.00 -1.84 0.00 0.00 35.03 32.33 2wdl n LYS 33 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wdl s ALA 34 N -1.99 3.19 0.37 7.82 0.00 0.47 -5.08 121.76 126.54 2wdl s ALA 34 Ca 0.00 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.29 2wdl s ALA 34 Cb 0.00 -3.03 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 2wdl s ALA 34 CO 0.00 0.21 0.56 0.99 0.00 0.00 0.00 175.76 177.52 2wdl s THR 35 N -1.94 4.59 0.24 0.00 2.01 -1.26 -4.95 115.64 114.34 2wdl s THR 35 Ca 0.55 -0.60 -0.06 0.00 0.31 0.00 0.00 61.69 61.90 2wdl s THR 35 Cb -0.12 -3.66 0.18 0.00 0.01 0.00 0.00 72.50 68.91 2wdl s THR 35 CO 0.17 -0.40 1.83 0.11 -0.69 0.00 0.00 174.62 175.64 2wdl h LYS 36 N 0.69 1.13 0.62 4.92 1.79 -1.98 0.43 116.57 124.17 2wdl h LYS 36 Ca -0.48 -0.18 -0.03 0.00 -2.18 0.00 0.00 60.65 57.78 2wdl h LYS 36 Cb 1.24 -0.20 0.01 0.00 -1.58 0.00 0.00 32.23 31.69 2wdl h LYS 36 CO 0.59 0.89 -0.30 1.15 -1.08 0.00 0.00 179.45 180.70 2wdl h THR 37 N 1.11 0.00 -0.98 -0.16 2.02 -1.99 0.43 112.91 113.35 2wdl h THR 37 Ca 0.26 -0.19 0.32 0.00 0.77 0.00 0.00 66.41 67.57 2wdl h THR 37 Cb 0.15 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.38 2wdl h THR 37 CO -0.03 0.00 0.22 -0.33 0.37 0.00 0.00 175.52 175.75 2wdl h GLU 38 N -1.02 0.03 0.56 6.66 5.08 -1.90 0.21 114.58 124.19 2wdl h GLU 38 Ca -0.08 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2wdl h GLU 38 Cb 0.64 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 2wdl h GLU 38 CO 0.14 0.02 -0.36 0.82 -1.00 0.00 0.00 179.01 178.63 2wdl h ILE 39 N 0.03 0.00 -0.67 3.13 1.08 -0.68 -0.97 117.51 119.42 2wdl h ILE 39 Ca 0.68 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 65.25 2wdl h ILE 39 Cb 1.55 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 35.18 2wdl h ILE 39 CO -0.85 0.00 -0.39 0.50 -0.69 0.00 0.00 178.15 176.72 2wdl h LYS 40 N -0.87 -0.15 -0.69 2.37 3.64 0.16 0.19 116.57 121.23 2wdl h LYS 40 Ca -0.07 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2wdl h LYS 40 Cb 0.70 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 2wdl h LYS 40 CO 0.06 -0.10 0.31 -0.91 -2.27 0.00 0.00 179.45 176.55 2wdl h ASN 41 N -0.15 0.89 -0.00 4.20 -0.26 -1.21 -1.72 115.58 117.34 2wdl h ASN 41 Ca 0.23 -0.11 -0.00 0.00 -0.56 0.00 0.00 56.30 55.86 2wdl h ASN 41 Cb 0.56 -0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 37.59 2wdl h ASN 41 CO -0.75 0.77 0.00 0.00 -1.06 0.00 0.00 177.43 176.40 2wdl h ALA 42 N 1.36 0.00 0.51 -0.83 0.00 0.36 -1.54 119.26 119.13 2wdl h ALA 42 Ca 0.24 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2wdl h ALA 42 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2wdl h ALA 42 CO -0.03 -0.37 -0.25 0.28 0.00 0.00 0.00 179.25 178.89 2wdl h VAL 43 N -0.25 0.50 -0.70 0.00 2.07 -0.61 -2.99 116.25 114.27 2wdl h VAL 43 Ca 0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 2wdl h VAL 43 Cb 0.26 0.50 -0.11 0.00 -1.52 0.00 0.00 31.29 30.41 2wdl h VAL 43 CO 0.00 0.00 0.08 -0.33 0.02 0.00 0.00 177.57 177.34 2wdl h GLU 44 N -0.69 0.17 -0.73 1.57 5.08 -1.33 0.10 114.58 118.76 2wdl h GLU 44 Ca -0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2wdl h GLU 44 Cb 0.53 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2wdl h GLU 44 CO 0.11 0.11 0.00 0.25 -1.00 0.00 0.00 179.01 178.49 2wdl n THR 45 N -5.24 0.00 -0.09 1.13 -2.24 -0.58 -1.41 114.28 105.84 2wdl n THR 45 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2wdl n THR 45 Cb 0.43 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 2wdl n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wdl n ALA 46 N -0.09 0.00 -0.79 6.98 0.00 0.19 -4.82 120.51 121.99 2wdl n ALA 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdl n ALA 46 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 2wdl n ALA 46 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wdl n PHE 47 N 0.00 0.00 -3.98 0.00 3.01 -0.27 -5.02 117.46 111.21 2wdl n PHE 47 Ca 0.00 -0.10 -0.27 0.00 1.01 0.00 0.00 57.45 58.09 2wdl n PHE 47 Cb 0.00 -0.01 -0.07 0.00 -0.01 0.00 0.00 39.48 39.39 2wdl n PHE 47 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2wdl n LYS 48 N -0.10 -0.87 -4.40 -1.08 5.02 -0.50 -4.92 118.16 111.30 2wdl n LYS 48 Ca 0.00 0.06 -0.20 0.00 -2.02 0.00 0.00 58.31 56.14 2wdl n LYS 48 Cb 0.43 -2.75 -0.10 0.00 -0.02 0.00 0.00 35.03 32.59 2wdl n LYS 48 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2wdl s VAL 49 N -4.08 1.73 -0.13 -0.18 -7.23 -1.25 -5.08 120.40 104.18 2wdl s VAL 49 Ca 0.05 -2.17 -0.07 0.00 -1.81 0.00 0.00 61.98 57.98 2wdl s VAL 49 Cb -0.03 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 2wdl s VAL 49 CO 0.81 -0.40 0.11 -0.75 -0.31 0.00 0.00 175.10 174.55 2wdl s LYS 50 N -3.68 3.55 -0.16 4.82 2.20 -1.26 -4.41 119.74 120.80 2wdl s LYS 50 Ca 0.27 -0.21 -0.06 0.00 -0.36 0.00 0.00 55.97 55.61 2wdl s LYS 50 Cb 0.02 -3.16 -0.04 0.00 -1.51 0.00 0.00 37.83 33.13 2wdl s LYS 50 CO 0.10 0.63 0.03 0.08 -0.36 0.00 0.00 175.35 175.84 2wdl s VAL 51 N -0.62 4.56 -0.42 4.02 1.01 -1.26 -0.50 120.40 127.19 2wdl s VAL 51 Ca 0.12 -0.12 0.16 0.00 0.00 0.00 0.00 61.98 62.14 2wdl s VAL 51 Cb -0.12 -3.02 -0.21 0.00 0.00 0.00 0.00 36.38 33.03 2wdl s VAL 51 CO 0.02 0.49 0.53 0.52 0.00 0.00 0.00 175.10 176.66 2wdl n VAL 52 N 3.30 0.00 -3.49 2.92 0.31 0.25 -4.82 118.33 116.80 2wdl n VAL 52 Ca -0.17 -0.24 -0.12 0.00 -0.01 0.00 0.00 64.34 63.80 2wdl n VAL 52 Cb 0.53 0.61 -0.03 0.00 -0.91 0.00 0.00 33.84 34.03 2wdl n VAL 52 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2wdl s LYS 53 N -2.77 1.00 0.01 5.55 2.20 -1.18 -4.97 119.74 119.59 2wdl s LYS 53 Ca 0.01 -0.16 -0.03 0.00 -0.36 0.00 0.00 55.97 55.43 2wdl s LYS 53 Cb 0.11 0.47 -0.01 0.00 -1.51 0.00 0.00 37.83 36.89 2wdl s LYS 53 CO 0.66 -0.40 0.03 0.08 -0.36 0.00 0.00 175.35 175.36 2wdl s VAL 54 N -2.59 0.09 -0.02 4.02 1.01 -1.26 -0.08 120.40 121.58 2wdl s VAL 54 Ca -0.01 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2wdl s VAL 54 Cb -0.01 -0.31 0.02 0.00 0.00 0.00 0.00 36.38 36.09 2wdl s VAL 54 CO -0.04 -0.43 0.01 0.20 0.00 0.00 0.00 175.10 174.84 2wdl s ASN 55 N -1.35 0.17 0.19 3.32 0.02 0.07 -4.97 114.94 112.39 2wdl s ASN 55 Ca -0.15 0.01 0.08 0.00 -1.02 0.00 0.00 52.86 51.78 2wdl s ASN 55 Cb -0.09 -0.10 -0.04 0.00 0.02 0.00 0.00 41.25 41.04 2wdl s ASN 55 CO -0.00 -0.09 -0.16 0.42 0.02 0.00 0.00 177.10 177.29 2wdl s THR 56 N 0.84 1.77 -0.24 1.60 -4.23 -1.26 0.11 115.64 114.22 2wdl s THR 56 Ca -0.07 -2.10 -0.27 0.00 -1.18 0.00 0.00 61.69 58.07 2wdl s THR 56 Cb -0.11 -1.96 0.14 0.00 1.34 0.00 0.00 72.50 71.91 2wdl s THR 56 CO -0.02 -0.49 1.09 -1.48 -0.54 0.00 0.00 174.62 173.17 2wdl s LEU 57 N -3.07 -0.36 0.64 4.79 -0.00 -1.00 -5.02 118.68 114.67 2wdl s LEU 57 Ca 0.20 0.58 -0.07 0.00 -0.00 0.00 0.00 54.13 54.84 2wdl s LEU 57 Cb -0.03 1.74 0.02 0.00 -0.00 0.00 0.00 46.19 47.93 2wdl s LEU 57 CO 0.07 -0.19 0.97 -1.00 -0.00 0.00 0.00 176.35 176.20 2wdl s HIS 58 N -0.30 3.19 -0.23 3.48 3.76 -1.26 -0.56 115.29 123.36 2wdl s HIS 58 Ca 0.02 0.69 -0.04 0.00 -0.15 0.00 0.00 55.06 55.58 2wdl s HIS 58 Cb -0.03 -2.92 0.08 0.00 1.11 0.00 0.00 32.58 30.82 2wdl s HIS 58 CO -0.05 -1.04 0.11 0.08 -0.85 0.00 0.00 174.74 172.98 2wdl s VAL 59 N -3.14 -0.01 0.48 -0.90 1.01 0.49 -4.83 120.40 113.50 2wdl s VAL 59 Ca 0.56 -0.52 -0.21 0.00 0.00 0.00 0.00 61.98 61.81 2wdl s VAL 59 Cb -0.11 -0.84 -0.10 0.00 0.00 0.00 0.00 36.38 35.34 2wdl s VAL 59 CO 0.46 -0.51 0.77 -1.14 0.00 0.00 0.00 175.10 174.68 2wdl n ARG 60 N 5.24 0.87 -3.08 2.72 0.63 -1.26 -1.69 116.66 120.09 2wdl n ARG 60 Ca -0.06 0.32 -0.40 0.00 -0.92 0.00 0.00 57.85 56.79 2wdl n ARG 60 Cb 0.45 -1.83 -0.05 0.00 0.45 0.00 0.00 32.46 31.48 2wdl n ARG 60 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2wdl s GLY 61 N -0.97 2.09 0.26 5.14 0.00 -1.26 -4.78 107.32 107.81 2wdl s GLY 61 Ca 0.66 -0.20 -0.31 0.00 0.00 0.00 0.00 44.72 44.88 2wdl s GLY 61 CO 0.55 1.35 1.51 0.28 0.00 0.00 0.00 173.10 176.79 2wdl n LYS 62 N 4.99 2.36 -3.01 2.90 5.02 -1.26 -4.29 118.16 124.88 2wdl n LYS 62 Ca -0.00 0.84 -0.43 0.00 -2.02 0.00 0.00 58.31 56.69 2wdl n LYS 62 Cb 0.50 -2.57 -0.05 0.00 -0.02 0.00 0.00 35.03 32.89 2wdl n LYS 62 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2wdl s LYS 63 N -0.34 3.16 0.28 1.97 -2.85 -1.26 -1.35 119.74 119.34 2wdl s LYS 63 Ca 0.67 -0.79 0.06 0.00 -1.00 0.00 0.00 55.97 54.91 2wdl s LYS 63 Cb -0.58 -4.14 -0.02 0.00 -2.06 0.00 0.00 37.83 31.03 2wdl s LYS 63 CO 0.48 -1.46 0.38 0.15 0.10 0.00 0.00 175.35 174.99 2wdl s LYS 64 N 3.27 3.24 0.01 1.78 1.02 -0.85 -4.86 119.74 123.35 2wdl s LYS 64 Ca 0.20 -0.90 0.05 0.00 0.02 0.00 0.00 55.97 55.33 2wdl s LYS 64 Cb -0.18 -2.81 -0.02 0.00 -0.52 0.00 0.00 37.83 34.30 2wdl s LYS 64 CO 0.12 0.29 -0.14 0.50 -0.92 0.00 0.00 175.35 175.20 2wdl s ARG 65 N -4.03 1.04 -0.15 1.68 3.52 -1.26 -2.16 118.95 117.59 2wdl s ARG 65 Ca 0.38 -0.63 -0.01 0.00 -0.13 0.00 0.00 55.73 55.34 2wdl s ARG 65 Cb -0.09 -1.03 0.04 0.00 -1.56 0.00 0.00 34.95 32.31 2wdl s ARG 65 CO 0.29 0.27 -0.04 -1.17 -0.81 0.00 0.00 175.30 173.84 2wdl s LEU 66 N -0.72 1.45 0.00 -0.88 0.20 -0.89 -5.02 118.68 112.82 2wdl s LEU 66 Ca 0.04 -0.59 0.00 0.00 0.69 0.00 0.00 54.13 54.27 2wdl s LEU 66 Cb -0.07 -0.84 0.00 0.00 -0.43 0.00 0.00 46.19 44.86 2wdl s LEU 66 CO 0.00 -0.19 0.00 0.61 -0.29 0.00 0.00 176.35 176.48 2wdl n GLY 67 N 4.92 1.48 0.22 7.98 0.00 -1.26 -2.10 105.19 116.43 2wdl n GLY 67 Ca -0.11 -0.68 0.13 0.00 0.00 0.00 0.00 46.02 45.36 2wdl n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wdl n ARG 68 N 11.84 0.83 -2.73 1.61 1.85 -1.26 -4.76 116.66 124.04 2wdl n ARG 68 Ca 0.00 -0.45 -0.42 0.00 -1.00 0.00 0.00 57.85 55.98 2wdl n ARG 68 Cb 0.00 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 29.88 2wdl n ARG 68 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2wdl s TYR 69 N -2.48 2.54 0.04 2.89 1.51 -0.89 -5.02 117.35 115.94 2wdl s TYR 69 Ca 0.26 -0.23 -0.24 0.00 -1.01 0.00 0.00 57.07 55.85 2wdl s TYR 69 Cb 0.19 -4.40 -0.05 0.00 -0.11 0.00 0.00 41.96 37.59 2wdl s TYR 69 CO 0.50 -1.76 0.72 -1.17 -1.11 0.00 0.00 175.55 172.74 2wdl s LEU 70 N 4.71 4.44 0.00 -1.29 0.20 -1.26 -2.09 118.68 123.39 2wdl s LEU 70 Ca 0.29 1.38 -0.05 0.00 0.69 0.00 0.00 54.13 56.45 2wdl s LEU 70 Cb -0.12 -3.16 0.02 0.00 -0.43 0.00 0.00 46.19 42.50 2wdl s LEU 70 CO 0.14 0.04 0.34 0.61 -0.29 0.00 0.00 176.35 177.19 2wdl n GLY 71 N 2.39 1.98 3.08 7.98 0.00 -0.92 -5.02 105.19 114.68 2wdl n GLY 71 Ca -0.04 -1.30 -0.17 0.00 0.00 0.00 0.00 46.02 44.51 2wdl n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdl s LYS 72 N -2.22 0.72 0.42 1.61 3.01 -1.26 -2.02 119.74 120.01 2wdl s LYS 72 Ca 0.11 -0.63 -0.14 0.00 -1.01 0.00 0.00 55.97 54.30 2wdl s LYS 72 Cb -0.02 -0.65 -0.08 0.00 -1.01 0.00 0.00 37.83 36.07 2wdl s LYS 72 CO 0.08 0.16 0.85 1.03 0.51 0.00 0.00 175.35 177.98 2wdl s ARG 73 N -1.01 3.93 0.59 1.68 0.52 -0.46 -4.88 118.95 119.32 2wdl s ARG 73 Ca -0.01 0.73 -0.19 0.00 -0.52 0.00 0.00 55.73 55.74 2wdl s ARG 73 Cb -0.07 -2.30 -0.05 0.00 0.52 0.00 0.00 34.95 33.05 2wdl s ARG 73 CO 0.01 -0.07 1.03 -0.35 0.02 0.00 0.00 175.30 175.94 2wdl n PRO 74 N -1.12 1.02 -3.08 3.54 -0.04 -1.26 -4.08 135.00 129.99 2wdl n PRO 74 Ca 0.04 0.39 -0.34 0.00 -0.04 0.00 0.00 63.50 63.55 2wdl n PRO 74 Cb 0.54 -2.23 -0.06 0.00 -0.04 0.00 0.00 33.50 31.71 2wdl n PRO 74 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wdl s ASP 75 N -1.19 6.94 0.15 3.54 1.11 -1.26 -4.08 116.67 121.88 2wdl s ASP 75 Ca 0.75 1.40 0.00 0.00 0.18 0.00 0.00 52.55 54.89 2wdl s ASP 75 Cb -0.42 -2.42 -0.04 0.00 1.07 0.00 0.00 42.92 41.11 2wdl s ASP 75 CO 0.47 -0.11 0.03 -0.13 1.18 0.00 0.00 175.17 176.62 2wdl s ARG 76 N -2.51 1.02 -0.06 8.23 3.00 -0.68 -4.92 118.95 123.03 2wdl s ARG 76 Ca 0.50 -1.49 0.05 0.00 0.00 0.00 0.00 55.73 54.79 2wdl s ARG 76 Cb -0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 34.95 34.79 2wdl s ARG 76 CO 0.19 -0.20 -0.21 0.21 0.00 0.00 0.00 175.30 175.29 2wdl s LYS 77 N -3.99 2.54 -0.07 3.54 2.20 -1.25 0.18 119.74 122.90 2wdl s LYS 77 Ca 0.24 -0.82 0.03 0.00 -0.36 0.00 0.00 55.97 55.06 2wdl s LYS 77 Cb 0.07 -2.25 0.01 0.00 -1.51 0.00 0.00 37.83 34.14 2wdl s LYS 77 CO 0.03 0.47 -0.17 -1.59 -0.36 0.00 0.00 175.35 173.73 2wdl s LYS 78 N -0.36 2.19 0.17 4.03 -2.85 0.27 -0.42 119.74 122.77 2wdl s LYS 78 Ca 0.03 -0.60 0.07 0.00 -1.00 0.00 0.00 55.97 54.46 2wdl s LYS 78 Cb -0.12 -1.74 -0.04 0.00 -2.06 0.00 0.00 37.83 33.87 2wdl s LYS 78 CO 0.02 0.11 0.05 0.00 0.10 0.00 0.00 175.35 175.62 2wdl s ALA 79 N 0.48 3.33 -0.16 0.59 0.00 -0.29 -2.36 121.76 123.34 2wdl s ALA 79 Ca -0.15 -1.32 -0.04 0.00 0.00 0.00 0.00 51.96 50.45 2wdl s ALA 79 Cb -0.16 -1.12 0.06 0.00 0.00 0.00 0.00 23.12 21.90 2wdl s ALA 79 CO 0.05 0.48 0.08 -1.50 0.00 0.00 0.00 175.76 174.87 2wdl s ILE 80 N -1.75 0.03 0.16 0.00 -1.16 0.12 -0.07 121.20 118.52 2wdl s ILE 80 Ca 0.29 -0.19 -0.04 0.00 -0.51 0.00 0.00 60.65 60.20 2wdl s ILE 80 Cb -0.09 -0.63 -0.05 0.00 0.61 0.00 0.00 42.46 42.30 2wdl s ILE 80 CO 0.20 -0.22 0.37 0.68 -2.81 0.00 0.00 174.94 173.16 2wdl s VAL 81 N 2.09 5.18 -0.41 4.00 -7.23 0.13 -0.75 120.40 123.41 2wdl s VAL 81 Ca 0.02 -0.08 -0.05 0.00 -1.81 0.00 0.00 61.98 60.05 2wdl s VAL 81 Cb -0.16 -3.65 0.10 0.00 0.56 0.00 0.00 36.38 33.23 2wdl s VAL 81 CO -0.08 -0.02 0.22 -1.58 -0.31 0.00 0.00 175.10 173.33 2wdl s GLN 82 N -2.83 2.22 0.18 4.82 2.00 0.89 -1.46 119.66 125.48 2wdl s GLN 82 Ca 0.40 -1.70 -0.30 0.00 -2.00 0.00 0.00 55.36 51.76 2wdl s GLN 82 Cb -0.12 -3.64 -0.08 0.00 0.80 0.00 0.00 33.01 29.98 2wdl s GLN 82 CO 0.26 -1.03 1.18 0.08 -0.50 0.00 0.00 175.29 175.28 2wdl s VAL 83 N 1.24 3.64 0.27 1.34 1.01 0.26 0.85 120.40 129.00 2wdl s VAL 83 Ca 0.06 1.37 -0.27 0.00 0.00 0.00 0.00 61.98 63.14 2wdl s VAL 83 Cb -0.23 -3.88 -0.15 0.00 0.00 0.00 0.00 36.38 32.12 2wdl s VAL 83 CO -0.02 0.22 0.67 0.00 0.00 0.00 0.00 175.10 175.97 2wdl n ALA 84 N 2.55 -1.78 -1.20 5.51 0.00 0.35 -4.34 120.51 121.59 2wdl n ALA 84 Ca 0.04 0.37 -0.38 0.00 0.00 0.00 0.00 53.44 53.47 2wdl n ALA 84 Cb 0.45 -1.77 0.02 0.00 0.00 0.00 0.00 19.45 18.15 2wdl n ALA 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wdl n PRO 85 N 0.86 0.00 0.00 0.00 -0.04 -1.26 -2.61 135.00 131.96 2wdl n PRO 85 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2wdl n PRO 85 Cb 0.30 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 2wdl n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdl n GLY 86 N 2.68 1.64 3.22 0.55 0.00 -1.26 -4.95 105.19 107.06 2wdl n GLY 86 Ca 0.06 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 2wdl n GLY 86 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wdl n GLN 87 N 0.00 -2.95 -3.64 1.61 6.02 -1.07 -5.06 117.38 112.29 2wdl n GLN 87 Ca 0.00 -0.86 -0.03 0.00 -0.01 0.00 0.00 57.00 56.09 2wdl n GLN 87 Cb 0.00 -1.78 -0.05 0.00 1.02 0.00 0.00 30.24 29.42 2wdl n GLN 87 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2wdl s LYS 88 N -4.09 0.13 -0.51 -1.09 -2.85 -1.26 -4.89 119.74 105.18 2wdl s LYS 88 Ca 0.56 0.07 -0.25 0.00 -1.00 0.00 0.00 55.97 55.35 2wdl s LYS 88 Cb -0.13 0.06 0.03 0.00 -2.06 0.00 0.00 37.83 35.74 2wdl s LYS 88 CO 0.54 -0.03 0.96 0.42 0.10 0.00 0.00 175.35 177.34 2wdl s ILE 89 N -0.60 4.39 0.40 3.79 1.01 -1.26 -4.91 121.20 124.02 2wdl s ILE 89 Ca 0.07 0.55 0.08 0.00 0.00 0.00 0.00 60.65 61.35 2wdl s ILE 89 Cb -0.02 -4.51 0.28 0.00 0.01 0.00 0.00 42.46 38.22 2wdl s ILE 89 CO -0.10 -1.00 2.02 -0.33 0.00 0.00 0.00 174.94 175.53 2wdl h GLU 90 N 9.23 0.57 -0.36 2.79 4.39 -1.99 -2.88 114.58 126.32 2wdl h GLU 90 Ca -0.25 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.46 2wdl h GLU 90 Cb 1.07 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.55 2wdl h GLU 90 CO 1.07 0.38 0.11 0.00 -1.16 0.00 0.00 179.01 179.41 2wdl h ALA 91 N 1.70 0.41 -0.40 3.43 0.00 -2.00 -2.53 119.26 119.88 2wdl h ALA 91 Ca 0.21 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 2wdl h ALA 91 Cb 0.10 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2wdl h ALA 91 CO -0.05 -0.28 0.12 1.28 0.00 0.00 0.00 179.25 180.31 2wdl n LEU 92 N -5.03 4.11 -0.70 0.00 4.77 -1.09 -4.00 117.00 115.05 2wdl n LEU 92 Ca 0.01 -2.11 0.13 0.00 -0.03 0.00 0.00 56.01 54.01 2wdl n LEU 92 Cb 0.14 -0.63 0.34 0.00 -2.33 0.00 0.00 43.42 40.94 2wdl n LEU 92 CO 0.27 0.57 0.77 -0.62 -1.33 0.00 0.00 177.39 177.04 2wdl n GLU 93 N 0.11 1.96 -0.04 3.23 -0.58 -0.95 -4.46 120.64 119.91 2wdl n GLU 93 Ca 0.21 -1.41 -0.04 0.00 -0.42 0.00 0.00 57.16 55.51 2wdl n GLU 93 Cb 0.90 -1.47 -0.01 0.00 -0.57 0.00 0.00 31.44 30.29 2wdl n GLU 93 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wdl n GLY 94 N 1.25 -0.48 0.00 0.62 0.00 -1.26 -5.13 105.19 100.20 2wdl n GLY 94 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2wdl n GLY 94 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22