#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdi n HIS 3 N 0.00 0.00 -0.44 2.89 8.25 -1.26 -4.90 115.22 119.76 2wdi n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wdi n HIS 3 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wdi n HIS 3 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2wdi n LEU 4 N 0.00 0.29 -1.17 2.41 -0.00 -1.26 -4.86 117.00 112.41 2wdi n LEU 4 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2wdi n LEU 4 Cb 0.00 -0.54 0.00 0.00 -0.00 0.00 0.00 43.42 42.88 2wdi n LEU 4 CO 0.00 -0.15 0.36 0.29 -0.00 0.00 0.00 177.39 177.89 2wdi n LYS 5 N -2.00 0.58 -4.23 1.96 4.01 -1.26 -4.77 118.16 112.45 2wdi n LYS 5 Ca 0.00 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.65 2wdi n LYS 5 Cb 0.00 -1.21 -0.09 0.00 -0.51 0.00 0.00 35.03 33.22 2wdi n LYS 5 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 2wdi s SER 6 N 1.23 0.89 -0.43 4.39 1.04 -1.26 -5.10 113.70 114.46 2wdi s SER 6 Ca 0.00 -1.55 -0.38 0.00 0.48 0.00 0.00 55.95 54.50 2wdi s SER 6 Cb 0.00 0.48 -0.16 0.00 0.10 0.00 0.00 66.02 66.44 2wdi s SER 6 CO 0.00 -0.98 1.77 0.61 0.98 0.00 0.00 173.24 175.62 2wdi n GLY 7 N -0.45 -0.09 0.00 7.32 0.00 -1.26 -4.81 105.19 105.90 2wdi n GLY 7 Ca 0.04 0.95 0.00 0.00 0.00 0.00 0.00 46.02 47.01 2wdi n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdi n ARG 8 N 6.01 0.00 -0.50 1.61 5.12 -1.26 -4.94 116.66 122.70 2wdi n ARG 8 Ca 0.44 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 56.17 2wdi n ARG 8 Cb -0.04 0.00 0.02 0.00 -1.16 0.00 0.00 32.46 31.28 2wdi n ARG 8 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2wdi n LYS 9 N 0.00 0.00 0.00 5.56 2.85 -1.26 -5.07 118.16 120.24 2wdi n LYS 9 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2wdi n LYS 9 Cb 0.00 -0.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.88 2wdi n LYS 9 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2wdi n LEU 10 N 1.75 0.00 -4.15 -5.58 4.77 -1.26 -5.13 117.00 107.39 2wdi n LEU 10 Ca -0.01 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.61 2wdi n LEU 10 Cb 0.36 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.34 2wdi n LEU 10 CO 0.22 0.00 -0.20 0.21 -1.33 0.00 0.00 177.39 176.29 2wdi s ASN 11 N 0.00 5.23 0.00 -1.43 3.84 -1.26 -4.93 114.94 116.39 2wdi s ASN 11 Ca 0.00 -1.79 0.00 0.00 0.21 0.00 0.00 52.86 51.28 2wdi s ASN 11 Cb 0.00 -1.82 0.00 0.00 -0.55 0.00 0.00 41.25 38.88 2wdi s ASN 11 CO 0.00 -0.48 0.00 0.54 -2.79 0.00 0.00 177.10 174.37 2wdi n ARG 12 N 4.64 0.00 -4.25 0.43 1.74 -1.26 -4.97 116.66 112.99 2wdi n ARG 12 Ca -0.06 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.87 2wdi n ARG 12 Cb 0.42 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.76 2wdi n ARG 12 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2wdi s HIS 13 N -3.57 1.34 0.00 -1.55 -3.43 -1.26 -4.89 115.29 101.93 2wdi s HIS 13 Ca 0.00 -0.68 0.00 0.00 -0.80 0.00 0.00 55.06 53.58 2wdi s HIS 13 Cb 0.00 -0.68 0.00 0.00 -1.43 0.00 0.00 32.58 30.47 2wdi s HIS 13 CO 0.00 0.13 0.00 -1.13 -2.00 0.00 0.00 174.74 171.74 2wdi n SER 14 N -0.01 0.00 -0.51 7.38 3.41 -1.26 -0.06 113.62 122.58 2wdi n SER 14 Ca -0.11 0.00 0.42 0.00 -0.26 0.00 0.00 58.87 58.91 2wdi n SER 14 Cb 0.60 0.00 0.70 0.00 -0.26 0.00 0.00 64.21 65.25 2wdi n SER 14 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2wdi h SER 15 N 0.00 0.17 0.00 4.04 4.64 -1.99 -0.21 113.55 120.20 2wdi h SER 15 Ca 0.00 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2wdi h SER 15 Cb 0.00 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2wdi h SER 15 CO 0.00 -0.19 0.00 1.57 -0.87 0.00 0.00 176.83 177.34 2wdi n HIS 16 N -4.57 0.00 -0.32 4.77 -0.00 0.63 -2.28 115.22 113.46 2wdi n HIS 16 Ca 0.40 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 58.07 2wdi n HIS 16 Cb 1.62 -0.47 -0.03 0.00 -0.00 0.00 0.00 29.99 31.11 2wdi n HIS 16 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 2wdi n ARG 17 N -1.91 -0.28 -0.15 1.57 0.63 0.92 -0.10 116.66 117.35 2wdi n ARG 17 Ca 0.00 1.19 -0.03 0.00 -0.92 0.00 0.00 57.85 58.09 2wdi n ARG 17 Cb 0.00 -1.76 0.05 0.00 0.45 0.00 0.00 32.46 31.21 2wdi n ARG 17 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2wdi h LEU 18 N 0.00 -0.08 -1.19 6.15 7.12 -1.19 -1.08 115.31 125.03 2wdi h LEU 18 Ca 0.19 0.09 -0.07 0.00 0.13 0.00 0.00 57.88 58.22 2wdi h LEU 18 Cb 0.38 0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.65 2wdi h LEU 18 CO -0.75 -0.01 -0.33 0.00 -0.13 0.00 0.00 178.44 177.22 2wdi h ALA 19 N 1.38 1.13 0.34 1.25 0.00 -0.06 -2.72 119.26 120.58 2wdi h ALA 19 Ca 0.23 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2wdi h ALA 19 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2wdi h ALA 19 CO -0.34 0.41 -0.16 1.25 0.00 0.00 0.00 179.25 180.41 2wdi h LEU 20 N 0.00 -0.38 -0.81 0.00 5.85 0.76 0.51 115.31 121.24 2wdi h LEU 20 Ca -0.00 -0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.77 2wdi h LEU 20 Cb 0.74 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.79 2wdi h LEU 20 CO 0.04 -0.19 0.45 1.88 -0.34 0.00 0.00 178.44 180.28 2wdi h TYR 21 N -0.55 0.81 -0.04 1.25 0.99 -1.30 -1.63 116.97 116.50 2wdi h TYR 21 Ca -0.05 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 2wdi h TYR 21 Cb 0.41 -0.24 -0.00 0.00 1.00 0.00 0.00 36.73 37.90 2wdi h TYR 21 CO -0.03 0.31 0.00 0.00 -0.00 0.00 0.00 178.16 178.44 2wdi h ARG 22 N 0.74 0.06 -0.51 4.88 3.08 -1.20 -0.67 114.38 120.77 2wdi h ARG 22 Ca 0.40 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.53 2wdi h ARG 22 Cb 0.40 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 2wdi h ARG 22 CO -0.27 0.32 0.35 -0.91 -1.07 0.00 0.00 179.97 178.39 2wdi h ASN 23 N -0.20 0.24 0.08 7.04 -0.26 -0.40 0.17 115.58 122.26 2wdi h ASN 23 Ca 0.01 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.75 2wdi h ASN 23 Cb 0.29 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.50 2wdi h ASN 23 CO 0.00 0.15 -0.04 1.56 -1.06 0.00 0.00 177.43 178.04 2wdi h GLN 24 N 0.27 -0.10 -0.78 0.81 4.20 -1.16 -2.48 115.11 115.87 2wdi h GLN 24 Ca 0.23 0.01 0.16 0.00 0.06 0.00 0.00 58.65 59.12 2wdi h GLN 24 Cb 0.57 0.02 -0.15 0.00 0.30 0.00 0.00 27.48 28.22 2wdi h GLN 24 CO -0.05 0.35 -0.15 0.00 -0.67 0.00 0.00 178.83 178.32 2wdi h ALA 25 N -0.46 0.60 -0.49 3.87 0.00 -0.69 0.85 119.26 122.94 2wdi h ALA 25 Ca -0.01 0.29 0.10 0.00 0.00 0.00 0.00 54.91 55.29 2wdi h ALA 25 Cb 0.50 0.56 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 2wdi h ALA 25 CO 0.02 -0.42 -0.02 0.87 0.00 0.00 0.00 179.25 179.70 2wdi h LYS 26 N 0.02 0.09 0.33 0.00 1.57 -0.71 -0.14 116.57 117.73 2wdi h LYS 26 Ca 0.39 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.15 2wdi h LYS 26 Cb 0.63 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2wdi h LYS 26 CO -0.78 0.06 -0.16 0.77 -0.57 0.00 0.00 179.45 178.77 2wdi h SER 27 N 0.09 -0.38 -0.85 0.86 0.02 0.95 -1.37 113.55 112.88 2wdi h SER 27 Ca 0.25 0.01 0.16 0.00 -0.84 0.00 0.00 61.79 61.37 2wdi h SER 27 Cb 0.37 0.10 -0.15 0.00 0.14 0.00 0.00 62.40 62.86 2wdi h SER 27 CO -0.43 -0.25 -0.24 -0.11 -1.14 0.00 0.00 176.83 174.66 2wdi n LEU 28 N -3.32 -0.37 0.00 5.07 -0.00 0.14 0.15 117.00 118.67 2wdi n LEU 28 Ca -0.06 1.47 0.00 0.00 -0.00 0.00 0.00 56.01 57.42 2wdi n LEU 28 Cb 0.18 -0.41 0.00 0.00 -0.00 0.00 0.00 43.42 43.18 2wdi n LEU 28 CO 0.13 -1.38 0.39 0.18 -0.00 0.00 0.00 177.39 176.72 2wdi n LEU 29 N -5.35 0.07 -0.35 -1.96 4.32 -0.08 0.05 117.00 113.71 2wdi n LEU 29 Ca 0.12 0.83 -0.04 0.00 -0.02 0.00 0.00 56.01 56.90 2wdi n LEU 29 Cb 0.40 -0.38 -0.01 0.00 -1.62 0.00 0.00 43.42 41.81 2wdi n LEU 29 CO -0.11 -0.38 0.47 0.41 -1.22 0.00 0.00 177.39 176.57 2wdi n THR 30 N -1.64 -0.51 1.19 -5.08 -1.04 -0.52 -1.43 114.28 105.25 2wdi n THR 30 Ca 0.00 2.07 0.14 0.00 -2.04 0.00 0.00 64.05 64.22 2wdi n THR 30 Cb 0.00 -2.67 0.56 0.00 -1.82 0.00 0.00 70.33 66.40 2wdi n THR 30 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2wdi n HIS 31 N -5.21 0.00 0.00 -1.42 8.25 0.12 -4.98 115.22 111.98 2wdi n HIS 31 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2wdi n HIS 31 Cb 0.30 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.10 2wdi n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wdi n GLY 32 N 1.40 1.30 3.19 -1.41 0.00 0.11 -4.80 105.19 104.98 2wdi n GLY 32 Ca 0.10 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 2wdi n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdi s ARG 33 N 0.00 1.82 0.08 1.61 3.00 -1.26 -3.21 118.95 121.00 2wdi s ARG 33 Ca 0.00 -0.71 0.03 0.00 0.00 0.00 0.00 55.73 55.05 2wdi s ARG 33 Cb 0.00 -1.66 -0.03 0.00 0.00 0.00 0.00 34.95 33.26 2wdi s ARG 33 CO 0.00 0.36 -0.09 0.42 0.00 0.00 0.00 175.30 175.99 2wdi s ILE 34 N -0.25 0.77 -0.08 1.52 -1.09 -0.39 -4.90 121.20 116.78 2wdi s ILE 34 Ca 0.02 -1.54 0.01 0.00 -2.23 0.00 0.00 60.65 56.91 2wdi s ILE 34 Cb -0.10 -1.21 0.02 0.00 -1.58 0.00 0.00 42.46 39.59 2wdi s ILE 34 CO 0.01 -0.57 -0.10 -0.89 -1.23 0.00 0.00 174.94 172.16 2wdi s THR 35 N -2.39 1.05 0.00 2.92 2.01 -1.26 -1.58 115.64 116.40 2wdi s THR 35 Ca 0.02 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.65 2wdi s THR 35 Cb -0.03 -1.01 0.00 0.00 0.01 0.00 0.00 72.50 71.47 2wdi s THR 35 CO -0.01 0.35 0.00 0.35 -0.69 0.00 0.00 174.62 174.62 2wdi n THR 36 N 4.30 0.00 -2.78 -0.82 -2.24 -1.05 -4.99 114.28 106.70 2wdi n THR 36 Ca -0.19 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.28 2wdi n THR 36 Cb 0.51 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.70 2wdi n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wdi s THR 37 N -1.00 4.68 0.03 4.28 -4.23 -1.26 -0.56 115.64 117.59 2wdi s THR 37 Ca 0.00 0.87 -0.09 0.00 -1.18 0.00 0.00 61.69 61.29 2wdi s THR 37 Cb 0.00 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.10 2wdi s THR 37 CO 0.00 -0.50 1.15 0.58 -0.54 0.00 0.00 174.62 175.31 2wdi h VAL 38 N 1.23 0.00 -0.15 2.29 2.07 -1.67 0.14 116.25 120.16 2wdi h VAL 38 Ca -0.47 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.10 2wdi h VAL 38 Cb 1.18 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 2wdi h VAL 38 CO 0.63 0.00 -0.33 -0.65 0.02 0.00 0.00 177.57 177.24 2wdi h PRO 39 N -0.14 -0.39 -0.69 1.57 0.11 -1.95 0.90 132.00 131.43 2wdi h PRO 39 Ca 0.01 0.03 0.20 0.00 0.11 0.00 0.00 66.00 66.35 2wdi h PRO 39 Cb 0.18 0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.35 2wdi h PRO 39 CO -0.14 -0.26 0.57 -0.22 -0.21 0.00 0.00 178.00 177.73 2wdi h LYS 40 N -0.40 0.00 0.00 1.05 3.64 -1.89 -2.47 116.57 116.50 2wdi h LYS 40 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2wdi h LYS 40 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2wdi h LYS 40 CO -0.37 0.00 -0.17 0.00 -2.27 0.00 0.00 179.45 176.64 2wdi h ALA 41 N 1.51 0.00 -1.00 5.00 0.00 0.11 -3.24 119.26 121.65 2wdi h ALA 41 Ca 0.33 -0.17 0.37 0.00 0.00 0.00 0.00 54.91 55.43 2wdi h ALA 41 Cb 1.45 0.17 -0.16 0.00 0.00 0.00 0.00 17.79 19.25 2wdi h ALA 41 CO -0.00 0.17 0.56 0.87 0.00 0.00 0.00 179.25 180.85 2wdi h LYS 42 N -0.97 0.17 -0.30 0.00 1.57 -0.54 0.61 116.57 117.12 2wdi h LYS 42 Ca 0.00 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 2wdi h LYS 42 Cb 0.17 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2wdi h LYS 42 CO 0.00 0.11 -0.16 1.49 -0.57 0.00 0.00 179.45 180.32 2wdi h GLU 43 N 0.18 0.64 -0.99 3.15 4.57 -1.62 -3.23 114.58 117.29 2wdi h GLU 43 Ca 0.79 -0.29 0.17 0.00 -1.18 0.00 0.00 59.36 58.85 2wdi h GLU 43 Cb 1.94 -0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 30.41 2wdi h GLU 43 CO -0.68 0.87 0.60 1.25 -1.18 0.00 0.00 179.01 179.87 2wdi h LEU 44 N 0.39 0.78 -0.17 1.64 7.12 0.20 -3.09 115.31 122.19 2wdi h LEU 44 Ca 0.06 0.09 0.02 0.00 0.13 0.00 0.00 57.88 58.18 2wdi h LEU 44 Cb 0.69 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.74 2wdi h LEU 44 CO 0.05 0.31 -0.24 0.08 -0.13 0.00 0.00 178.44 178.51 2wdi h ARG 45 N 0.79 -0.17 -0.89 1.25 0.11 -1.49 -1.93 114.38 112.05 2wdi h ARG 45 Ca 0.55 0.01 0.24 0.00 0.10 0.00 0.00 59.98 60.88 2wdi h ARG 45 Cb 0.81 0.04 -0.15 0.00 1.11 0.00 0.00 29.97 31.77 2wdi h ARG 45 CO -0.36 -0.11 0.13 0.78 0.10 0.00 0.00 179.97 180.50 2wdi h GLY 46 N -0.17 1.24 0.67 0.08 0.00 -1.73 -1.68 103.07 101.47 2wdi h GLY 46 Ca 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2wdi h GLY 46 CO -0.25 -0.41 -0.40 -2.75 0.00 0.00 0.00 176.54 172.73 2wdi h PHE 47 N 0.11 -1.08 0.05 5.60 3.57 -1.47 -2.45 116.94 121.27 2wdi h PHE 47 Ca 0.55 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 62.05 2wdi h PHE 47 Cb 1.10 0.41 -0.00 0.00 2.79 0.00 0.00 35.95 40.25 2wdi h PHE 47 CO -0.37 -0.57 -0.03 0.28 -2.23 0.00 0.00 178.31 175.39 2wdi h VAL 48 N -0.87 0.93 -0.65 1.41 2.07 -1.12 -2.97 116.25 115.04 2wdi h VAL 48 Ca -0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.54 2wdi h VAL 48 Cb 0.75 0.93 -0.10 0.00 -1.52 0.00 0.00 31.29 31.35 2wdi h VAL 48 CO -0.02 0.00 -0.57 0.44 0.02 0.00 0.00 177.57 177.44 2wdi h ASP 49 N -0.08 -2.00 -0.14 0.57 3.32 -1.27 0.96 116.42 117.77 2wdi h ASP 49 Ca -0.00 0.28 0.04 0.00 0.02 0.00 0.00 57.03 57.37 2wdi h ASP 49 Cb 0.07 0.85 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 2wdi h ASP 49 CO 0.00 -0.33 0.47 -0.74 -1.72 0.00 0.00 179.24 176.92 2wdi h HIS 50 N -0.23 0.00 0.08 4.55 2.76 -1.28 0.47 115.15 121.49 2wdi h HIS 50 Ca 0.11 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 57.97 2wdi h HIS 50 Cb 0.52 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.46 2wdi h HIS 50 CO -0.85 0.00 -1.64 -0.07 -1.30 0.00 0.00 177.93 174.07 2wdi h LEU 51 N 0.00 0.25 -0.09 0.26 4.07 0.93 -2.85 115.31 117.87 2wdi h LEU 51 Ca 0.07 -0.42 -0.09 0.00 0.08 0.00 0.00 57.88 57.52 2wdi h LEU 51 Cb 1.01 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.67 2wdi h LEU 51 CO -0.00 1.36 -0.31 0.40 -1.08 0.00 0.00 178.44 178.81 2wdi h ILE 52 N 0.04 1.40 0.00 1.22 1.08 0.20 0.12 117.51 121.58 2wdi h ILE 52 Ca -0.27 -1.66 -0.04 0.00 -0.39 0.00 0.00 64.86 62.50 2wdi h ILE 52 Cb 2.00 2.22 -0.01 0.00 -3.07 0.00 0.00 36.82 37.97 2wdi h ILE 52 CO 0.12 0.48 -0.19 -0.74 -0.69 0.00 0.00 178.15 177.13 2wdi h HIS 53 N -0.09 0.00 0.00 1.37 2.76 -0.63 0.32 115.15 118.88 2wdi h HIS 53 Ca -0.01 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.07 2wdi h HIS 53 Cb 0.94 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.88 2wdi h HIS 53 CO 0.12 0.19 -0.42 1.25 -1.30 0.00 0.00 177.93 177.77 2wdi h LEU 54 N 0.00 0.00 -0.92 0.26 5.85 -1.35 -2.99 115.31 116.16 2wdi h LEU 54 Ca -0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 2wdi h LEU 54 Cb 0.46 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2wdi h LEU 54 CO 0.02 0.42 -0.47 0.00 -0.34 0.00 0.00 178.44 178.08 2wdi h ALA 55 N 1.58 1.03 0.41 1.25 0.00 0.24 -3.22 119.26 120.54 2wdi h ALA 55 Ca -0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2wdi h ALA 55 Cb 1.31 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2wdi h ALA 55 CO 0.05 0.58 -0.36 0.87 0.00 0.00 0.00 179.25 180.40 2wdi h LYS 56 N 0.00 -0.75 -7.21 0.00 6.56 -1.05 -3.40 116.57 110.73 2wdi h LYS 56 Ca -0.00 0.05 -0.53 0.00 -1.06 0.00 0.00 60.65 59.11 2wdi h LYS 56 Cb 0.94 0.17 0.17 0.00 -0.57 0.00 0.00 32.23 32.94 2wdi h LYS 56 CO 0.06 -0.50 0.35 1.03 -2.06 0.00 0.00 179.45 178.33 2wdi s ARG 57 N -6.00 1.85 -0.00 3.15 0.52 -1.22 -4.93 118.95 112.31 2wdi s ARG 57 Ca -0.17 1.69 0.05 0.00 -0.52 0.00 0.00 55.73 56.78 2wdi s ARG 57 Cb 0.05 -1.81 -0.06 0.00 0.52 0.00 0.00 34.95 33.66 2wdi s ARG 57 CO 0.63 -2.04 0.20 0.41 0.02 0.00 0.00 175.30 174.51 2wdi n GLY 58 N 0.28 0.34 3.29 -3.53 0.00 -1.26 -4.92 105.19 99.39 2wdi n GLY 58 Ca 0.13 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2wdi n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wdi n ASP 59 N -1.25 -3.01 -0.23 1.61 3.85 -1.26 -4.63 116.55 111.63 2wdi n ASP 59 Ca 0.01 0.78 0.04 0.00 -0.71 0.00 0.00 54.79 54.91 2wdi n ASP 59 Cb 0.09 -0.88 0.15 0.00 -1.35 0.00 0.00 41.12 39.14 2wdi n ASP 59 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 2wdi h LEU 60 N 0.26 -0.05 -0.25 -2.12 6.46 -1.99 -0.93 115.31 116.70 2wdi h LEU 60 Ca -0.38 0.14 0.04 0.00 -0.12 0.00 0.00 57.88 57.57 2wdi h LEU 60 Cb 1.45 0.21 -0.07 0.00 -0.73 0.00 0.00 40.66 41.51 2wdi h LEU 60 CO 0.46 -0.05 -0.53 -0.74 -0.62 0.00 0.00 178.44 176.96 2wdi h HIS 61 N 0.24 -1.59 -0.73 1.25 2.76 -1.99 0.19 115.15 115.27 2wdi h HIS 61 Ca 0.38 0.07 0.17 0.00 -2.20 0.00 0.00 60.37 58.79 2wdi h HIS 61 Cb 0.64 0.73 -0.04 0.00 1.55 0.00 0.00 27.41 30.28 2wdi h HIS 61 CO -0.28 -0.52 0.50 0.00 -1.30 0.00 0.00 177.93 176.33 2wdi h ALA 62 N -0.12 2.29 0.41 5.26 0.00 -1.52 0.30 119.26 125.88 2wdi h ALA 62 Ca 0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2wdi h ALA 62 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2wdi h ALA 62 CO -0.50 -0.49 -0.20 -0.09 0.00 0.00 0.00 179.25 177.97 2wdi h ARG 63 N 0.28 -0.53 0.00 0.00 2.43 0.19 -2.28 114.38 114.46 2wdi h ARG 63 Ca 0.36 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.56 2wdi h ARG 63 Cb 1.01 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2wdi h ARG 63 CO -0.09 -0.23 -0.02 0.00 -1.51 0.00 0.00 179.97 178.12 2wdi h ARG 64 N -0.84 0.00 -0.05 0.20 3.08 -0.40 0.21 114.38 116.57 2wdi h ARG 64 Ca -0.06 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.80 2wdi h ARG 64 Cb 0.55 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.61 2wdi h ARG 64 CO 0.09 0.02 -0.73 -0.07 -1.07 0.00 0.00 179.97 178.21 2wdi h LEU 65 N 0.00 0.73 -0.30 3.04 4.07 -0.84 -3.00 115.31 119.01 2wdi h LEU 65 Ca -0.00 -0.70 -0.08 0.00 0.08 0.00 0.00 57.88 57.17 2wdi h LEU 65 Cb 0.44 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 2wdi h LEU 65 CO 0.00 1.33 -0.40 0.58 -1.08 0.00 0.00 178.44 178.87 2wdi h VAL 66 N 0.20 0.75 0.00 1.22 2.07 -1.24 -3.07 116.25 116.18 2wdi h VAL 66 Ca -0.08 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.58 2wdi h VAL 66 Cb 1.39 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 2wdi h VAL 66 CO 0.15 0.40 0.00 -0.11 0.02 0.00 0.00 177.57 178.02 2wdi n LEU 67 N -3.28 0.35 -0.04 2.57 7.94 0.05 -2.05 117.00 122.54 2wdi n LEU 67 Ca 0.02 0.61 -0.16 0.00 -1.11 0.00 0.00 56.01 55.36 2wdi n LEU 67 Cb 0.64 -0.58 -0.13 0.00 0.53 0.00 0.00 43.42 43.87 2wdi n LEU 67 CO 0.38 -0.52 0.26 0.03 -1.11 0.00 0.00 177.39 176.43 2wdi h ARG 68 N 0.00 0.09 0.37 1.96 3.08 -1.43 -3.37 114.38 115.07 2wdi h ARG 68 Ca 0.00 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 2wdi h ARG 68 Cb 0.22 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2wdi h ARG 68 CO 0.00 1.07 -0.18 -0.44 -1.07 0.00 0.00 179.97 179.35 2wdi h ASP 69 N -0.82 -0.42 -3.36 7.04 3.45 -1.67 -3.39 116.42 117.25 2wdi h ASP 69 Ca -0.05 -0.15 -0.59 0.00 0.43 0.00 0.00 57.03 56.67 2wdi h ASP 69 Cb 1.19 0.11 -0.09 0.00 -0.56 0.00 0.00 39.33 39.99 2wdi h ASP 69 CO 0.04 -0.01 0.26 -0.76 -1.57 0.00 0.00 179.24 177.20 2wdi s LEU 70 N -9.37 4.14 0.15 1.55 1.43 -0.87 -4.88 118.68 110.83 2wdi s LEU 70 Ca -0.13 0.97 0.19 0.00 -1.03 0.00 0.00 54.13 54.13 2wdi s LEU 70 Cb 0.02 -3.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.14 2wdi s LEU 70 CO 0.47 -0.35 0.98 -0.61 0.23 0.00 0.00 176.35 177.07 2wdi h GLN 71 N 7.47 0.00 -6.21 1.70 5.75 -1.77 -3.38 115.11 118.67 2wdi h GLN 71 Ca -0.29 0.00 -0.56 0.00 -0.15 0.00 0.00 58.65 57.64 2wdi h GLN 71 Cb 1.13 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.65 2wdi h GLN 71 CO 0.81 0.19 0.97 0.34 -2.65 0.00 0.00 178.83 178.48 2wdi s ASP 72 N -5.70 6.79 0.08 -0.69 3.68 -1.26 -4.93 116.67 114.65 2wdi s ASP 72 Ca -0.01 1.70 -0.35 0.00 2.13 0.00 0.00 52.55 56.03 2wdi s ASP 72 Cb 0.09 -2.54 -0.18 0.00 -1.45 0.00 0.00 42.92 38.84 2wdi s ASP 72 CO 0.79 -0.89 1.60 0.58 0.13 0.00 0.00 175.17 177.37 2wdi h VAL 73 N 5.65 0.16 -0.72 1.11 2.07 -1.95 -2.20 116.25 120.38 2wdi h VAL 73 Ca -0.29 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.34 2wdi h VAL 73 Cb 1.12 0.16 -0.12 0.00 -1.52 0.00 0.00 31.29 30.93 2wdi h VAL 73 CO 0.98 0.00 -0.40 0.50 0.02 0.00 0.00 177.57 178.67 2wdi h LYS 74 N -1.03 -0.13 -0.37 1.57 1.63 -2.01 0.20 116.57 116.42 2wdi h LYS 74 Ca -0.09 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.77 2wdi h LYS 74 Cb 0.83 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.47 2wdi h LYS 74 CO 0.09 -0.08 0.25 1.25 -3.45 0.00 0.00 179.45 177.51 2wdi h LEU 75 N -0.13 0.26 -0.73 5.20 7.12 -1.94 -1.76 115.31 123.33 2wdi h LEU 75 Ca 0.24 -0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.25 2wdi h LEU 75 Cb 0.56 -0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 40.60 2wdi h LEU 75 CO -0.78 0.18 0.44 0.58 -0.13 0.00 0.00 178.44 178.73 2wdi h VAL 76 N 0.30 1.21 0.66 1.05 2.07 0.04 -2.31 116.25 119.28 2wdi h VAL 76 Ca 0.16 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2wdi h VAL 76 Cb 0.26 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 30.23 2wdi h VAL 76 CO -0.03 0.22 -0.32 0.03 0.02 0.00 0.00 177.57 177.49 2wdi h ARG 77 N 1.00 -0.85 0.00 1.57 3.08 -1.12 0.27 114.38 118.33 2wdi h ARG 77 Ca 0.26 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.37 2wdi h ARG 77 Cb -0.03 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2wdi h ARG 77 CO -0.05 -0.57 0.58 1.17 -1.07 0.00 0.00 179.97 180.03 2wdi n LYS 78 N -4.45 0.03 0.00 0.04 4.81 -1.07 -1.30 118.16 116.21 2wdi n LYS 78 Ca -0.11 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 2wdi n LYS 78 Cb 0.35 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.23 2wdi n LYS 78 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2wdi n LEU 79 N -1.69 0.45 0.00 3.14 0.00 -0.47 -3.41 117.00 115.02 2wdi n LEU 79 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 56.01 56.05 2wdi n LEU 79 Cb 0.58 -0.19 0.00 0.00 0.00 0.00 0.00 43.42 43.81 2wdi n LEU 79 CO 0.01 -0.19 0.41 0.49 0.00 0.00 0.00 177.39 178.11 2wdi n PHE 80 N -1.68 0.00 -2.23 1.96 3.72 0.85 0.04 117.46 120.11 2wdi n PHE 80 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 2wdi n PHE 80 Cb 0.00 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.16 2wdi n PHE 80 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2wdi n ASP 81 N -2.61 6.18 0.00 4.37 3.85 -0.79 -3.70 116.55 123.86 2wdi n ASP 81 Ca 0.00 -3.13 0.00 0.00 -0.71 0.00 0.00 54.79 50.95 2wdi n ASP 81 Cb 0.00 -1.43 0.00 0.00 -1.35 0.00 0.00 41.12 38.34 2wdi n ASP 81 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 2wdi n GLU 82 N 3.02 0.00 -0.02 0.11 2.13 -1.07 -4.83 120.64 119.98 2wdi n GLU 82 Ca 0.47 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 58.14 2wdi n GLU 82 Cb 0.32 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.92 2wdi n GLU 82 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2wdi h ILE 83 N 0.00 1.52 0.11 6.31 1.08 -0.41 -3.30 117.51 122.82 2wdi h ILE 83 Ca 0.00 -1.91 0.01 0.00 -0.39 0.00 0.00 64.86 62.57 2wdi h ILE 83 Cb 0.00 2.69 -0.02 0.00 -3.07 0.00 0.00 36.82 36.42 2wdi h ILE 83 CO 0.00 0.53 -0.14 0.00 -0.69 0.00 0.00 178.15 177.85 2wdi h ALA 84 N 0.29 -0.25 -0.93 1.87 0.00 -1.47 -3.02 119.26 115.74 2wdi h ALA 84 Ca -0.03 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.08 2wdi h ALA 84 Cb 1.01 0.21 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 2wdi h ALA 84 CO 0.06 -0.67 0.45 -1.35 0.00 0.00 0.00 179.25 177.74 2wdi h PRO 85 N -0.29 0.42 0.00 0.00 0.11 -1.71 0.17 132.00 130.69 2wdi h PRO 85 Ca 0.01 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2wdi h PRO 85 Cb 0.30 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.31 2wdi h PRO 85 CO -0.06 0.28 0.02 0.54 -0.21 0.00 0.00 178.00 178.57 2wdi n ARG 86 N -5.01 0.05 0.00 1.05 1.74 -1.14 -1.03 116.66 112.32 2wdi n ARG 86 Ca 0.24 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.86 2wdi n ARG 86 Cb 0.70 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 2wdi n ARG 86 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2wdi n TYR 87 N -1.75 0.00 -0.27 -1.55 4.01 0.55 -4.83 117.16 113.33 2wdi n TYR 87 Ca -0.00 -0.27 0.07 0.00 -0.16 0.00 0.00 57.90 57.54 2wdi n TYR 87 Cb 0.03 -0.03 0.15 0.00 -0.31 0.00 0.00 39.34 39.18 2wdi n TYR 87 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2wdi n ARG 88 N -0.27 -0.06 -0.29 -0.72 0.00 -0.20 -0.04 116.66 115.08 2wdi n ARG 88 Ca 0.00 1.15 0.10 0.00 -0.00 0.00 0.00 57.85 59.10 2wdi n ARG 88 Cb 0.14 -1.76 0.27 0.00 0.00 0.00 0.00 32.46 31.11 2wdi n ARG 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2wdi n ASP 89 N -5.15 3.23 -4.88 6.15 8.00 -1.26 -4.95 116.55 117.69 2wdi n ASP 89 Ca 0.14 -1.99 -0.33 0.00 0.71 0.00 0.00 54.79 53.32 2wdi n ASP 89 Cb 0.46 -0.38 -0.05 0.00 -0.02 0.00 0.00 41.12 41.12 2wdi n ASP 89 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2wdi s ARG 90 N -1.23 3.71 -0.79 -1.24 3.52 0.94 -5.04 118.95 118.82 2wdi s ARG 90 Ca 0.40 0.09 0.02 0.00 -0.13 0.00 0.00 55.73 56.12 2wdi s ARG 90 Cb 0.21 -2.88 0.22 0.00 -1.56 0.00 0.00 34.95 30.94 2wdi s ARG 90 CO 0.28 0.48 0.74 0.94 -0.81 0.00 0.00 175.30 176.94 2wdi n GLN 91 N 0.42 2.52 0.00 5.12 7.27 -1.26 -5.05 117.38 126.40 2wdi n GLN 91 Ca -0.04 -4.54 0.00 0.00 0.07 0.00 0.00 57.00 52.49 2wdi n GLN 91 Cb 0.52 -2.35 0.00 0.00 2.41 0.00 0.00 30.24 30.83 2wdi n GLN 91 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2wdi n GLY 92 N 1.76 -2.37 3.72 1.69 0.00 -1.26 -5.04 105.19 103.68 2wdi n GLY 92 Ca 0.24 -2.14 -0.27 0.00 0.00 0.00 0.00 46.02 43.85 2wdi n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdi n GLY 93 N -0.11 -0.90 0.33 -0.02 0.00 -1.26 -4.85 105.19 98.38 2wdi n GLY 93 Ca 0.00 0.40 0.13 0.00 0.00 0.00 0.00 46.02 46.54 2wdi n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wdi n TYR 94 N -2.99 0.00 -4.69 1.61 4.02 -1.26 -4.79 117.16 109.06 2wdi n TYR 94 Ca -0.19 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.44 2wdi n TYR 94 Cb 0.51 -0.09 -0.14 0.00 -0.02 0.00 0.00 39.34 39.60 2wdi n TYR 94 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2wdi s THR 95 N -2.44 1.60 0.10 -0.72 -1.32 -1.26 -0.82 115.64 110.78 2wdi s THR 95 Ca 0.25 -1.11 0.08 0.00 -1.21 0.00 0.00 61.69 59.70 2wdi s THR 95 Cb 0.19 -1.38 -0.03 0.00 -1.51 0.00 0.00 72.50 69.77 2wdi s THR 95 CO 0.51 0.24 -0.21 -0.60 -2.21 0.00 0.00 174.62 172.34 2wdi s ARG 96 N -1.02 1.17 -0.16 7.08 3.52 -0.19 -4.76 118.95 124.59 2wdi s ARG 96 Ca 0.07 -1.15 -0.05 0.00 -0.13 0.00 0.00 55.73 54.47 2wdi s ARG 96 Cb -0.08 -1.44 0.06 0.00 -1.56 0.00 0.00 34.95 31.93 2wdi s ARG 96 CO 0.01 0.34 0.09 0.08 -0.81 0.00 0.00 175.30 175.01 2wdi s VAL 97 N -1.12 -0.11 -0.23 7.11 1.01 -1.26 -1.47 120.40 124.34 2wdi s VAL 97 Ca 0.07 -0.10 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 2wdi s VAL 97 Cb -0.10 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 2wdi s VAL 97 CO 0.04 -0.23 0.04 -0.76 0.00 0.00 0.00 175.10 174.19 2wdi s LEU 98 N 2.15 3.36 0.05 3.92 1.43 0.58 -4.92 118.68 125.25 2wdi s LEU 98 Ca 0.03 -0.20 -0.31 0.00 -1.03 0.00 0.00 54.13 52.62 2wdi s LEU 98 Cb -0.16 -1.88 -0.06 0.00 0.03 0.00 0.00 46.19 44.12 2wdi s LEU 98 CO -0.09 0.01 1.33 -0.54 0.23 0.00 0.00 176.35 177.29 2wdi s LYS 99 N 1.34 4.34 0.64 1.70 1.02 -1.26 0.08 119.74 127.60 2wdi s LYS 99 Ca 0.05 1.92 -0.11 0.00 0.02 0.00 0.00 55.97 57.85 2wdi s LYS 99 Cb -0.15 -3.40 -0.02 0.00 -0.52 0.00 0.00 37.83 33.74 2wdi s LYS 99 CO 0.02 -0.43 1.05 -0.51 -0.92 0.00 0.00 175.35 174.56 2wdi s LEU 100 N 1.58 3.14 0.41 3.17 2.01 -0.99 -4.90 118.68 123.10 2wdi s LEU 100 Ca 0.62 1.35 0.04 0.00 0.01 0.00 0.00 54.13 56.15 2wdi s LEU 100 Cb -0.32 -4.32 0.00 0.00 0.01 0.00 0.00 46.19 41.56 2wdi s LEU 100 CO 0.28 -1.01 0.58 0.00 1.01 0.00 0.00 176.35 177.21 2wdi s ALA 101 N -3.23 4.09 0.10 4.21 0.00 -1.26 -4.74 121.76 120.94 2wdi s ALA 101 Ca 0.56 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2wdi s ALA 101 Cb -0.11 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.15 2wdi s ALA 101 CO 0.53 -0.26 0.00 0.39 0.00 0.00 0.00 175.76 176.43 2wdi n GLU 102 N -1.88 -5.45 -3.09 0.00 1.02 -1.26 -4.95 120.64 105.03 2wdi n GLU 102 Ca 0.02 3.91 -0.24 0.00 -0.02 0.00 0.00 57.16 60.83 2wdi n GLU 102 Cb 0.58 -4.61 0.00 0.00 -0.02 0.00 0.00 31.44 27.39 2wdi n GLU 102 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2wdi s ARG 103 N -0.61 3.31 -0.13 3.49 1.70 -1.26 -4.69 118.95 120.77 2wdi s ARG 103 Ca 0.00 -0.31 -0.35 0.00 -0.47 0.00 0.00 55.73 54.60 2wdi s ARG 103 Cb 0.00 -2.57 -0.12 0.00 -0.57 0.00 0.00 34.95 31.69 2wdi s ARG 103 CO 0.00 -0.09 1.86 -2.13 -1.08 0.00 0.00 175.30 173.85 2wdi n ARG 104 N -1.99 1.98 -2.43 3.89 0.63 -0.79 -4.84 116.66 113.11 2wdi n ARG 104 Ca -0.01 0.73 -0.38 0.00 -0.92 0.00 0.00 57.85 57.26 2wdi n ARG 104 Cb 0.57 -2.54 -0.03 0.00 0.45 0.00 0.00 32.46 30.91 2wdi n ARG 104 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2wdi s ARG 105 N 3.97 3.40 0.00 -0.14 0.52 -1.26 -2.41 118.95 123.03 2wdi s ARG 105 Ca 0.94 -1.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 2wdi s ARG 105 Cb -0.77 -5.33 0.00 0.00 0.52 0.00 0.00 34.95 29.37 2wdi s ARG 105 CO 0.54 -2.56 0.00 0.41 0.02 0.00 0.00 175.30 173.71 2wdi n GLY 106 N 6.51 0.00 0.00 -3.53 0.00 -1.26 -4.95 105.19 101.95 2wdi n GLY 106 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2wdi n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wdi n ASP 107 N 0.00 0.00 -3.65 1.61 3.85 -1.24 -5.01 116.55 112.12 2wdi n ASP 107 Ca 0.00 0.00 -0.30 0.00 -0.71 0.00 0.00 54.79 53.78 2wdi n ASP 107 Cb 0.00 0.00 0.04 0.00 -1.35 0.00 0.00 41.12 39.81 2wdi n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2wdi n GLY 108 N 0.00 -1.02 3.21 6.12 0.00 -1.01 -4.98 105.19 107.51 2wdi n GLY 108 Ca 0.00 0.47 -0.34 0.00 0.00 0.00 0.00 46.02 46.15 2wdi n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdi s ALA 109 N -3.43 2.58 0.17 4.61 0.00 -1.25 -4.92 121.76 119.53 2wdi s ALA 109 Ca 0.45 -1.22 -0.31 0.00 0.00 0.00 0.00 51.96 50.89 2wdi s ALA 109 Cb -0.16 -1.46 -0.09 0.00 0.00 0.00 0.00 23.12 21.41 2wdi s ALA 109 CO 0.85 -0.43 1.45 -1.25 0.00 0.00 0.00 175.76 176.38 2wdi s PRO 110 N 1.38 4.28 0.47 0.00 0.04 -1.26 -1.88 135.00 138.03 2wdi s PRO 110 Ca 0.05 2.22 0.08 0.00 0.04 0.00 0.00 61.00 63.38 2wdi s PRO 110 Cb -0.14 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.24 2wdi s PRO 110 CO -0.08 -0.47 0.49 -0.51 0.04 0.00 0.00 177.00 176.48 2wdi s LEU 111 N 0.62 3.27 -0.01 -3.56 2.01 -1.26 -2.24 118.68 117.51 2wdi s LEU 111 Ca 0.64 -0.79 -0.24 0.00 0.01 0.00 0.00 54.13 53.75 2wdi s LEU 111 Cb -0.40 -1.94 0.05 0.00 0.01 0.00 0.00 46.19 43.91 2wdi s LEU 111 CO 0.35 -0.87 0.53 0.00 1.01 0.00 0.00 176.35 177.36 2wdi s ALA 112 N -2.54 -1.36 -0.18 4.21 0.00 0.28 -2.34 121.76 119.84 2wdi s ALA 112 Ca 0.49 0.83 -0.10 0.00 0.00 0.00 0.00 51.96 53.18 2wdi s ALA 112 Cb -0.05 0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 2wdi s ALA 112 CO 0.30 -0.38 0.16 -1.17 0.00 0.00 0.00 175.76 174.67 2wdi s LEU 113 N -1.45 4.24 -0.08 0.00 2.96 0.11 -2.53 118.68 121.93 2wdi s LEU 113 Ca -0.10 0.31 0.04 0.00 -0.22 0.00 0.00 54.13 54.16 2wdi s LEU 113 Cb -0.02 -2.14 -0.00 0.00 0.50 0.00 0.00 46.19 44.53 2wdi s LEU 113 CO 0.05 0.19 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.36 2wdi s VAL 114 N 0.22 1.89 0.29 1.68 1.01 -0.61 -0.31 120.40 124.57 2wdi s VAL 114 Ca 0.10 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 2wdi s VAL 114 Cb -0.11 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 2wdi s VAL 114 CO -0.00 0.53 0.39 -1.83 0.00 0.00 0.00 175.10 174.19 2wdi s GLU 115 N 0.22 1.67 -0.31 2.72 -1.05 -0.54 -1.26 118.70 120.15 2wdi s GLU 115 Ca -0.13 -1.62 -0.21 0.00 -0.15 0.00 0.00 54.97 52.86 2wdi s GLU 115 Cb -0.16 0.41 -0.01 0.00 -0.44 0.00 0.00 34.13 33.93 2wdi s GLU 115 CO 0.06 -0.67 0.67 -0.51 0.95 0.00 0.00 175.26 175.77 2wdi s LEU 116 N -3.18 4.14 0.34 1.83 1.43 -1.20 -1.03 118.68 121.02 2wdi s LEU 116 Ca 0.31 0.46 -0.27 0.00 -1.03 0.00 0.00 54.13 53.60 2wdi s LEU 116 Cb 0.01 -2.88 -0.13 0.00 0.03 0.00 0.00 46.19 43.22 2wdi s LEU 116 CO 0.16 -0.53 1.01 0.52 0.23 0.00 0.00 176.35 177.74 2wdi n VAL 117 N 5.45 2.10 -0.03 -1.59 0.31 -0.00 -4.90 118.33 119.67 2wdi n VAL 117 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2wdi n VAL 117 Cb 0.49 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 2wdi n VAL 117 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72