#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wft s SER 2 N 0.00 -0.10 -1.69 1.61 0.15 -1.26 -4.87 113.70 107.55 1wft s SER 2 Ca 0.00 0.20 -0.16 0.00 0.70 0.00 0.00 55.95 56.69 1wft s SER 2 Cb 0.00 0.19 0.14 0.00 -1.71 0.00 0.00 66.02 64.64 1wft s SER 2 CO 0.00 -0.04 0.65 -0.24 1.20 0.00 0.00 173.24 174.81 1wft n SER 3 N 3.10 -2.35 0.00 5.45 2.88 -1.26 -4.39 113.62 117.05 1wft n SER 3 Ca -0.13 -1.07 0.00 0.00 -1.33 0.00 0.00 58.87 56.34 1wft n SER 3 Cb 0.59 -2.52 0.00 0.00 -0.75 0.00 0.00 64.21 61.53 1wft n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wft n GLY 4 N -1.51 0.62 3.33 0.46 0.00 -1.26 -5.02 105.19 101.81 1wft n GLY 4 Ca 0.00 -1.64 -0.09 0.00 0.00 0.00 0.00 46.02 44.29 1wft n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wft s SER 5 N -4.00 -0.03 -0.01 1.61 1.04 -1.26 -2.19 113.70 108.85 1wft s SER 5 Ca 0.00 -0.66 -0.08 0.00 0.48 0.00 0.00 55.95 55.69 1wft s SER 5 Cb 0.00 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.57 1wft s SER 5 CO 0.00 -0.87 0.17 -0.94 0.98 0.00 0.00 173.24 172.58 1wft s SER 6 N -2.90 -0.04 0.02 7.02 1.04 -1.26 -5.06 113.70 112.53 1wft s SER 6 Ca 0.10 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1wft s SER 6 Cb 0.03 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1wft s SER 6 CO -0.05 -0.34 0.02 0.61 0.98 0.00 0.00 173.24 174.46 1wft n GLY 7 N 1.64 2.24 3.71 7.32 0.00 -1.26 -5.07 105.19 113.77 1wft n GLY 7 Ca -0.21 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.24 1wft n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wft s PRO 8 N -2.07 4.33 0.80 1.61 0.04 -1.26 -4.94 135.00 133.50 1wft s PRO 8 Ca 0.01 2.03 -0.16 0.00 0.04 0.00 0.00 61.00 62.93 1wft s PRO 8 Cb -0.00 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1wft s PRO 8 CO 0.01 -0.43 0.27 0.41 0.04 0.00 0.00 177.00 177.29 1wft n GLY 9 N 3.48 -2.21 3.82 0.56 0.00 -1.26 -4.41 105.19 105.17 1wft n GLY 9 Ca 0.11 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 1wft n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wft s ALA 10 N -2.05 3.29 0.17 4.61 0.00 -1.26 -4.61 121.76 121.91 1wft s ALA 10 Ca 0.59 0.22 -0.30 0.00 0.00 0.00 0.00 51.96 52.46 1wft s ALA 10 Cb -0.30 -2.91 -0.08 0.00 0.00 0.00 0.00 23.12 19.82 1wft s ALA 10 CO 0.64 0.27 1.32 -1.25 0.00 0.00 0.00 175.76 176.75 1wft s PRO 11 N -2.53 4.38 0.31 0.00 0.04 -1.26 -4.75 135.00 131.18 1wft s PRO 11 Ca 0.51 2.04 0.10 0.00 0.04 0.00 0.00 61.00 63.69 1wft s PRO 11 Cb -0.13 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.13 1wft s PRO 11 CO 0.19 -0.30 -0.10 -1.12 0.04 0.00 0.00 177.00 175.71 1wft s SER 12 N 0.57 3.88 -0.65 6.66 0.01 -1.25 -4.75 113.70 118.17 1wft s SER 12 Ca 0.59 -1.01 -0.04 0.00 1.31 0.00 0.00 55.95 56.80 1wft s SER 12 Cb -0.36 -0.44 0.00 0.00 0.21 0.00 0.00 66.02 65.44 1wft s SER 12 CO 0.36 -0.08 0.57 0.41 0.41 0.00 0.00 173.24 174.91 1wft n THR 13 N -0.77 -1.59 -2.34 1.44 -1.04 -1.26 -3.19 114.28 105.52 1wft n THR 13 Ca -0.05 -0.02 -0.43 0.00 -2.04 0.00 0.00 64.05 61.51 1wft n THR 13 Cb 0.61 -2.81 -0.02 0.00 -1.82 0.00 0.00 70.33 66.29 1wft n THR 13 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1wft s VAL 14 N -3.16 3.88 0.02 12.58 1.01 -1.26 -4.17 120.40 129.30 1wft s VAL 14 Ca 0.26 0.89 0.01 0.00 0.00 0.00 0.00 61.98 63.14 1wft s VAL 14 Cb -0.11 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1wft s VAL 14 CO 0.35 -0.78 0.07 -0.13 0.00 0.00 0.00 175.10 174.62 1wft s ARG 15 N 5.00 3.00 0.06 2.72 1.81 0.04 -4.94 118.95 126.63 1wft s ARG 15 Ca 0.61 -0.54 0.06 0.00 -1.72 0.00 0.00 55.73 54.13 1wft s ARG 15 Cb -0.13 -2.81 -0.03 0.00 -0.45 0.00 0.00 34.95 31.53 1wft s ARG 15 CO 0.32 0.63 -0.16 0.42 -0.68 0.00 0.00 175.30 175.83 1wft s ILE 16 N -1.23 1.23 -0.14 1.52 1.01 -1.26 -0.27 121.20 122.07 1wft s ILE 16 Ca 0.24 -1.18 -0.04 0.00 0.00 0.00 0.00 60.65 59.67 1wft s ILE 16 Cb -0.12 -1.13 0.07 0.00 0.01 0.00 0.00 42.46 41.28 1wft s ILE 16 CO 0.15 -0.05 0.24 -0.55 0.00 0.00 0.00 174.94 174.73 1wft s SER 17 N -1.41 0.57 -0.07 3.58 0.15 -0.60 -5.00 113.70 110.92 1wft s SER 17 Ca 0.02 0.42 -0.30 0.00 0.70 0.00 0.00 55.95 56.79 1wft s SER 17 Cb -0.09 0.59 -0.03 0.00 -1.71 0.00 0.00 66.02 64.78 1wft s SER 17 CO 0.02 -0.25 1.24 -0.75 1.20 0.00 0.00 173.24 174.70 1wft s LYS 18 N 2.39 4.32 0.44 5.44 2.20 -1.26 -0.27 119.74 133.00 1wft s LYS 18 Ca 0.03 1.71 0.07 0.00 -0.36 0.00 0.00 55.97 57.42 1wft s LYS 18 Cb -0.13 -3.60 -0.02 0.00 -1.51 0.00 0.00 37.83 32.57 1wft s LYS 18 CO -0.09 -0.52 0.27 -0.80 -0.36 0.00 0.00 175.35 173.85 1wft s ASN 19 N 1.65 4.61 0.14 1.43 0.01 0.23 -4.92 114.94 118.09 1wft s ASN 19 Ca 0.57 -1.05 -0.14 0.00 -0.71 0.00 0.00 52.86 51.52 1wft s ASN 19 Cb -0.25 -0.29 0.01 0.00 0.41 0.00 0.00 41.25 41.13 1wft s ASN 19 CO 0.21 -0.70 1.65 -0.37 -1.51 0.00 0.00 177.10 176.39 1wft h VAL 20 N 1.19 1.23 0.00 1.60 -1.51 -2.01 -2.82 116.25 113.93 1wft h VAL 20 Ca -0.41 -0.77 -0.13 0.00 -1.23 0.00 0.00 66.70 64.16 1wft h VAL 20 Cb 1.27 0.87 -0.02 0.00 -2.13 0.00 0.00 31.29 31.28 1wft h VAL 20 CO 0.64 0.28 -0.61 0.44 -1.23 0.00 0.00 177.57 177.09 1wft h ASP 21 N 0.60 0.00 0.00 4.19 5.19 -1.98 -3.49 116.42 120.93 1wft h ASP 21 Ca 0.14 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1wft h ASP 21 Cb 0.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1wft h ASP 21 CO -0.00 0.61 0.00 0.61 -3.12 0.00 0.00 179.24 177.34 1wft n GLY 22 N 0.27 -1.20 3.77 2.75 0.00 -1.06 -4.78 105.19 104.94 1wft n GLY 22 Ca -0.01 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 1wft n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wft s ILE 23 N -3.00 4.22 -0.45 -0.61 1.01 -1.16 0.74 121.20 121.96 1wft s ILE 23 Ca 0.00 1.84 -0.04 0.00 0.00 0.00 0.00 60.65 62.45 1wft s ILE 23 Cb 0.00 -4.12 0.12 0.00 0.01 0.00 0.00 42.46 38.47 1wft s ILE 23 CO 0.00 0.32 0.26 -2.28 0.00 0.00 0.00 174.94 173.23 1wft s HIS 24 N -1.40 3.55 -0.24 3.97 5.65 0.63 -1.76 115.29 125.68 1wft s HIS 24 Ca 0.45 -2.37 -0.25 0.00 0.25 0.00 0.00 55.06 53.14 1wft s HIS 24 Cb -0.21 -3.27 -0.00 0.00 -1.18 0.00 0.00 32.58 27.91 1wft s HIS 24 CO 0.26 -0.96 0.85 -1.17 -0.65 0.00 0.00 174.74 173.08 1wft s LEU 25 N 1.03 4.08 0.16 8.88 2.96 -0.08 -1.56 118.68 134.16 1wft s LEU 25 Ca 0.09 1.06 0.07 0.00 -0.22 0.00 0.00 54.13 55.13 1wft s LEU 25 Cb -0.23 -3.23 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 1wft s LEU 25 CO -0.04 -0.54 -0.15 -0.55 -1.32 0.00 0.00 176.35 173.75 1wft s SER 26 N 1.34 2.41 0.15 3.68 0.15 0.62 -0.11 113.70 121.95 1wft s SER 26 Ca 0.36 -0.91 -0.24 0.00 0.70 0.00 0.00 55.95 55.86 1wft s SER 26 Cb -0.15 -0.12 0.08 0.00 -1.71 0.00 0.00 66.02 64.12 1wft s SER 26 CO 0.07 -0.12 1.04 -1.66 1.20 0.00 0.00 173.24 173.77 1wft s TRP 27 N -2.44 -0.01 0.16 3.44 -2.14 -0.81 -0.78 118.94 116.36 1wft s TRP 27 Ca 0.16 -0.33 0.07 0.00 2.66 0.00 0.00 56.10 58.67 1wft s TRP 27 Cb -0.03 0.66 -0.04 0.00 -3.10 0.00 0.00 33.47 30.96 1wft s TRP 27 CO 0.05 -0.81 -0.03 -1.21 -2.66 0.00 0.00 176.95 172.29 1wft s GLU 28 N -2.56 2.31 0.97 3.25 2.02 -1.19 -4.70 118.70 118.80 1wft s GLU 28 Ca 0.18 -1.12 -0.12 0.00 0.02 0.00 0.00 54.97 53.93 1wft s GLU 28 Cb -0.01 -2.32 0.17 0.00 0.10 0.00 0.00 34.13 32.07 1wft s GLU 28 CO 0.03 0.46 1.09 -1.25 0.02 0.00 0.00 175.26 175.62 1wft s PRO 29 N -2.81 0.62 -0.04 0.39 0.04 -1.26 -3.90 135.00 128.05 1wft s PRO 29 Ca 0.26 0.59 -0.30 0.00 0.04 0.00 0.00 61.00 61.60 1wft s PRO 29 Cb -0.09 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 1wft s PRO 29 CO 0.17 -2.62 1.48 -1.25 0.04 0.00 0.00 177.00 174.82 1wft s PRO 30 N -4.95 4.24 -0.08 0.56 0.04 -1.26 -4.60 135.00 128.94 1wft s PRO 30 Ca 0.65 2.02 -0.00 0.00 0.04 0.00 0.00 61.00 63.71 1wft s PRO 30 Cb -0.18 -3.73 0.06 0.00 0.04 0.00 0.00 34.50 30.68 1wft s PRO 30 CO 0.57 -0.69 1.98 -2.37 0.04 0.00 0.00 177.00 176.53 1wft n THR 31 N 5.04 2.17 -4.13 1.26 5.66 -1.26 -4.87 114.28 118.15 1wft n THR 31 Ca 0.15 -0.78 -0.26 0.00 -3.05 0.00 0.00 64.05 60.11 1wft n THR 31 Cb 0.43 -1.44 -0.06 0.00 -1.55 0.00 0.00 70.33 67.71 1wft n THR 31 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1wft s SER 32 N 1.50 5.23 0.00 1.09 0.01 -1.26 -4.99 113.70 115.28 1wft s SER 32 Ca 0.08 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.10 1wft s SER 32 Cb 0.06 -1.27 0.00 0.00 0.21 0.00 0.00 66.02 65.02 1wft s SER 32 CO -0.00 0.07 0.46 -0.81 0.41 0.00 0.00 173.24 173.37 1wft n PRO 33 N -0.31 0.49 -1.79 12.44 -0.04 -1.26 -4.73 135.00 139.80 1wft n PRO 33 Ca -0.09 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.08 1wft n PRO 33 Cb 0.55 -1.03 -0.04 0.00 -0.04 0.00 0.00 33.50 32.94 1wft n PRO 33 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wft s SER 34 N -1.38 4.66 0.00 3.54 0.15 -1.26 -4.88 113.70 114.54 1wft s SER 34 Ca 0.00 0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.93 1wft s SER 34 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1wft s SER 34 CO 0.00 -2.96 0.54 0.61 1.20 0.00 0.00 173.24 172.63 1wft n GLY 35 N 6.29 -3.27 3.68 9.45 0.00 -1.26 -4.48 105.19 115.60 1wft n GLY 35 Ca 0.36 0.37 -0.49 0.00 0.00 0.00 0.00 46.02 46.26 1wft n GLY 35 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wft n ASN 36 N -0.90 3.21 -3.65 1.61 4.13 -1.26 -4.95 115.26 113.45 1wft n ASN 36 Ca 0.00 1.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.97 1wft n ASN 36 Cb 0.00 -1.34 -0.14 0.00 -1.54 0.00 0.00 39.78 36.75 1wft n ASN 36 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1wft s ILE 37 N 3.50 0.61 0.93 2.41 -1.09 -1.26 -4.83 121.20 121.46 1wft s ILE 37 Ca 0.92 -1.39 -0.12 0.00 -2.23 0.00 0.00 60.65 57.82 1wft s ILE 37 Cb -0.75 -1.46 0.15 0.00 -1.58 0.00 0.00 42.46 38.82 1wft s ILE 37 CO 0.52 -0.75 1.13 -0.76 -1.23 0.00 0.00 174.94 173.85 1wft s LEU 38 N 1.55 1.91 0.96 2.97 1.43 -1.01 -5.01 118.68 121.47 1wft s LEU 38 Ca 0.11 1.01 -0.13 0.00 -1.03 0.00 0.00 54.13 54.09 1wft s LEU 38 Cb -0.18 -3.30 0.12 0.00 0.03 0.00 0.00 46.19 42.86 1wft s LEU 38 CO -0.23 -2.69 0.12 -1.84 0.23 0.00 0.00 176.35 171.94 1wft n GLU 39 N -3.86 -1.80 -4.28 1.70 -0.00 -1.26 -4.41 120.64 106.73 1wft n GLU 39 Ca 0.06 -0.53 -0.26 0.00 -0.00 0.00 0.00 57.16 56.44 1wft n GLU 39 Cb 0.59 -1.41 -0.08 0.00 -0.00 0.00 0.00 31.44 30.54 1wft n GLU 39 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1wft s TYR 40 N -2.08 2.58 -0.07 -1.84 1.51 -0.74 -3.70 117.35 113.02 1wft s TYR 40 Ca 0.34 -0.59 -0.04 0.00 -1.01 0.00 0.00 57.07 55.77 1wft s TYR 40 Cb -0.05 -1.86 0.03 0.00 -0.11 0.00 0.00 41.96 39.97 1wft s TYR 40 CO 0.35 0.29 0.16 -1.54 -1.11 0.00 0.00 175.55 173.70 1wft s SER 41 N -3.83 -0.15 -0.12 2.29 1.04 -1.24 -3.98 113.70 107.71 1wft s SER 41 Ca 0.39 0.32 0.01 0.00 0.48 0.00 0.00 55.95 57.15 1wft s SER 41 Cb 0.05 0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 1wft s SER 41 CO 0.21 -0.10 -0.14 0.00 0.98 0.00 0.00 173.24 174.18 1wft s ALA 42 N 0.64 2.57 0.17 5.32 0.00 -1.21 -3.77 121.76 125.48 1wft s ALA 42 Ca -0.05 -0.90 0.09 0.00 0.00 0.00 0.00 51.96 51.10 1wft s ALA 42 Cb -0.06 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 1wft s ALA 42 CO -0.03 0.28 -0.13 0.71 0.00 0.00 0.00 175.76 176.58 1wft s TYR 43 N 0.27 2.56 -0.14 0.00 1.51 -0.87 -1.35 117.35 119.34 1wft s TYR 43 Ca -0.10 -0.25 -0.02 0.00 -1.01 0.00 0.00 57.07 55.68 1wft s TYR 43 Cb -0.16 -1.27 0.05 0.00 -0.11 0.00 0.00 41.96 40.47 1wft s TYR 43 CO 0.06 0.49 0.03 -1.17 -1.11 0.00 0.00 175.55 173.85 1wft s LEU 44 N -2.69 0.85 -0.07 -1.29 2.96 0.17 -2.67 118.68 115.95 1wft s LEU 44 Ca 0.23 -0.50 -0.37 0.00 -0.22 0.00 0.00 54.13 53.27 1wft s LEU 44 Cb -0.09 -0.49 -0.14 0.00 0.50 0.00 0.00 46.19 45.96 1wft s LEU 44 CO 0.13 -0.27 1.66 0.00 -1.32 0.00 0.00 176.35 176.56 1wft n ALA 45 N 5.11 0.22 -2.43 5.97 0.00 -1.26 -3.17 120.51 124.95 1wft n ALA 45 Ca -0.08 0.40 -0.28 0.00 0.00 0.00 0.00 53.44 53.48 1wft n ALA 45 Cb 0.48 -2.29 -0.16 0.00 0.00 0.00 0.00 19.45 17.48 1wft n ALA 45 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1wft s ILE 46 N 2.55 1.74 -0.10 0.00 -4.36 -1.22 -1.27 121.20 118.55 1wft s ILE 46 Ca 0.90 -0.94 -0.13 0.00 -0.26 0.00 0.00 60.65 60.22 1wft s ILE 46 Cb -0.87 -1.45 -0.28 0.00 1.25 0.00 0.00 42.46 41.12 1wft s ILE 46 CO 0.53 0.49 0.54 -0.09 0.24 0.00 0.00 174.94 176.65 1wft h ARG 47 N 5.64 0.28 -0.99 0.37 2.43 -1.91 -3.37 114.38 116.83 1wft h ARG 47 Ca -0.39 -0.48 0.32 0.00 -0.81 0.00 0.00 59.98 58.62 1wft h ARG 47 Cb 1.14 0.18 -0.18 0.00 -0.42 0.00 0.00 29.97 30.68 1wft h ARG 47 CO 0.48 1.23 0.20 0.25 -1.51 0.00 0.00 179.97 180.62 1wft n THR 48 N -3.78 -0.42 -0.74 0.20 -2.24 -1.26 0.13 114.28 106.17 1wft n THR 48 Ca -0.26 2.12 -0.10 0.00 -2.27 0.00 0.00 64.05 63.54 1wft n THR 48 Cb 0.97 -3.22 0.01 0.00 -2.10 0.00 0.00 70.33 65.99 1wft n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wft n ALA 49 N -2.85 4.70 -3.74 6.98 0.00 -1.26 -4.78 120.51 119.56 1wft n ALA 49 Ca 0.28 -0.98 -0.35 0.00 0.00 0.00 0.00 53.44 52.40 1wft n ALA 49 Cb 0.95 -1.25 -0.13 0.00 0.00 0.00 0.00 19.45 19.02 1wft n ALA 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1wft s GLN 50 N -0.97 2.16 0.03 0.00 -0.44 0.34 -4.88 119.66 115.90 1wft s GLN 50 Ca 0.19 -1.54 0.00 0.00 -2.50 0.00 0.00 55.36 51.51 1wft s GLN 50 Cb 0.14 -3.33 0.00 0.00 -1.64 0.00 0.00 33.01 28.19 1wft s GLN 50 CO -0.01 -0.82 0.00 -0.12 0.50 0.00 0.00 175.29 174.84 1wft n MET 51 N 4.57 0.00 -3.59 1.67 1.56 -1.26 -4.98 117.12 115.09 1wft n MET 51 Ca -0.07 0.00 -0.28 0.00 -0.27 0.00 0.00 57.70 57.08 1wft n MET 51 Cb 0.42 -0.31 -0.11 0.00 2.15 0.00 0.00 33.22 35.38 1wft n MET 51 CO 0.00 0.00 0.00 -1.14 -0.73 0.00 0.00 175.97 174.10 1wft s GLN 52 N -2.00 1.44 -0.15 2.12 2.00 -1.26 -5.08 119.66 116.72 1wft s GLN 52 Ca 0.00 -2.49 -0.19 0.00 -2.00 0.00 0.00 55.36 50.68 1wft s GLN 52 Cb 0.00 -2.15 0.05 0.00 0.80 0.00 0.00 33.01 31.71 1wft s GLN 52 CO 0.00 -1.33 0.51 -0.51 -0.50 0.00 0.00 175.29 173.46 1wft s ASP 53 N -0.39 -0.51 0.90 6.67 1.01 -1.26 -5.16 116.67 117.94 1wft s ASP 53 Ca 0.29 0.88 -0.12 0.00 0.71 0.00 0.00 52.55 54.30 1wft s ASP 53 Cb -0.02 0.90 0.06 0.00 1.01 0.00 0.00 42.92 44.87 1wft s ASP 53 CO -0.17 -0.26 0.69 0.59 0.21 0.00 0.00 175.17 176.23 1wft n ASN 54 N 2.38 -1.06 -0.07 0.27 4.13 -1.26 -4.92 115.26 114.72 1wft n ASN 54 Ca -0.15 0.41 -0.11 0.00 1.68 0.00 0.00 54.58 56.41 1wft n ASN 54 Cb 0.56 -1.31 0.03 0.00 -1.54 0.00 0.00 39.78 37.52 1wft n ASN 54 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1wft h PRO 55 N -1.45 0.79 -0.08 3.52 0.13 -2.04 -3.26 132.00 129.61 1wft h PRO 55 Ca -0.44 -0.41 -0.11 0.00 -0.87 0.00 0.00 66.00 64.17 1wft h PRO 55 Cb 1.29 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.44 1wft h PRO 55 CO 0.38 1.04 -0.39 0.77 -0.23 0.00 0.00 178.00 179.58 1wft h SER 56 N 0.65 0.48 -3.86 1.44 0.02 -2.08 -3.45 113.55 106.74 1wft h SER 56 Ca 0.05 -0.65 -0.56 0.00 -0.84 0.00 0.00 61.79 59.79 1wft h SER 56 Cb 0.96 -0.14 0.15 0.00 0.14 0.00 0.00 62.40 63.50 1wft h SER 56 CO 0.09 1.05 0.44 1.67 -1.14 0.00 0.00 176.83 178.94 1wft n GLN 57 N -4.35 1.37 -3.75 3.45 -0.06 -1.23 -5.01 117.38 107.79 1wft n GLN 57 Ca -0.08 0.51 -0.29 0.00 -2.00 0.00 0.00 57.00 55.14 1wft n GLN 57 Cb 0.54 -2.44 -0.16 0.00 -4.06 0.00 0.00 30.24 24.12 1wft n GLN 57 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1wft s LEU 58 N -3.09 1.68 -0.40 1.69 1.43 -1.26 -4.78 118.68 113.95 1wft s LEU 58 Ca 0.74 -1.14 -0.28 0.00 -1.03 0.00 0.00 54.13 52.42 1wft s LEU 58 Cb -0.42 -0.75 0.02 0.00 0.03 0.00 0.00 46.19 45.07 1wft s LEU 58 CO 0.47 -0.34 1.05 -0.69 0.23 0.00 0.00 176.35 177.08 1wft s VAL 59 N 1.73 4.41 0.15 -1.59 1.01 -1.26 -4.99 120.40 119.86 1wft s VAL 59 Ca 0.02 1.33 0.01 0.00 0.00 0.00 0.00 61.98 63.33 1wft s VAL 59 Cb -0.17 -4.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 1wft s VAL 59 CO -0.14 -0.72 0.31 -0.36 0.00 0.00 0.00 175.10 174.19 1wft s PHE 60 N 3.91 3.49 0.03 5.22 0.40 -1.26 -3.37 117.98 126.40 1wft s PHE 60 Ca 0.44 0.22 0.05 0.00 -0.60 0.00 0.00 56.93 57.05 1wft s PHE 60 Cb -0.10 -1.75 -0.02 0.00 0.51 0.00 0.00 43.02 41.66 1wft s PHE 60 CO 0.23 0.48 -0.16 0.00 0.70 0.00 0.00 175.22 176.47 1wft s MET 61 N -3.14 1.09 -0.00 0.44 0.23 -1.19 -4.83 119.30 111.90 1wft s MET 61 Ca 0.36 -0.76 -0.30 0.00 -1.03 0.00 0.00 55.69 53.96 1wft s MET 61 Cb -0.11 -1.11 -0.07 0.00 -1.53 0.00 0.00 34.83 32.01 1wft s MET 61 CO 0.28 0.28 1.69 0.50 -2.03 0.00 0.00 175.02 175.74 1wft s ARG 62 N -1.01 4.19 -0.08 3.16 3.00 -1.26 -0.65 118.95 126.29 1wft s ARG 62 Ca 0.04 2.28 0.04 0.00 -1.00 0.00 0.00 55.73 57.09 1wft s ARG 62 Cb -0.08 -3.88 -0.08 0.00 0.00 0.00 0.00 34.95 30.92 1wft s ARG 62 CO 0.01 -0.82 -0.01 0.44 0.00 0.00 0.00 175.30 174.92 1wft n ILE 63 N 5.23 0.52 -4.84 4.11 -5.35 -0.45 -4.94 119.36 113.63 1wft n ILE 63 Ca 0.17 -0.27 -0.33 0.00 -0.27 0.00 0.00 62.75 62.05 1wft n ILE 63 Cb 0.42 -0.81 -0.14 0.00 -1.74 0.00 0.00 39.64 37.36 1wft n ILE 63 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1wft s TYR 64 N -2.18 2.76 -0.15 4.28 5.04 -1.22 -5.06 117.35 120.82 1wft s TYR 64 Ca -0.07 -0.50 0.02 0.00 -2.44 0.00 0.00 57.07 54.08 1wft s TYR 64 Cb 0.03 -1.77 0.01 0.00 0.35 0.00 0.00 41.96 40.58 1wft s TYR 64 CO 0.27 -0.09 -0.21 0.00 -1.34 0.00 0.00 175.55 174.18 1wft n GLY 66 N 4.19 -1.22 0.15 0.00 0.00 -1.26 -5.01 105.19 102.05 1wft n GLY 66 Ca -0.20 -1.05 0.01 0.00 0.00 0.00 0.00 46.02 44.79 1wft n GLY 66 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1wft n LEU 67 N 0.00 0.65 -4.92 0.99 -0.00 -1.26 -1.80 117.00 110.66 1wft n LEU 67 Ca 0.00 -1.01 -0.27 0.00 -0.00 0.00 0.00 56.01 54.73 1wft n LEU 67 Cb 0.00 -0.05 0.06 0.00 -0.00 0.00 0.00 43.42 43.43 1wft n LEU 67 CO 0.00 0.24 0.63 -0.54 -0.00 0.00 0.00 177.39 177.73 1wft s LYS 68 N -0.53 2.44 0.20 1.47 3.01 -1.26 -4.67 119.74 120.40 1wft s LYS 68 Ca 0.04 -0.05 0.22 0.00 -1.01 0.00 0.00 55.97 55.17 1wft s LYS 68 Cb 0.03 -2.15 -0.01 0.00 -1.01 0.00 0.00 37.83 34.69 1wft s LYS 68 CO 0.00 -1.12 1.03 1.79 0.51 0.00 0.00 175.35 177.56 1wft h THR 69 N -0.56 0.04 -3.39 2.17 1.35 -1.95 -3.46 112.91 107.10 1wft h THR 69 Ca -0.45 -1.07 -0.56 0.00 -0.55 0.00 0.00 66.41 63.78 1wft h THR 69 Cb 1.29 1.54 -0.33 0.00 -1.73 0.00 0.00 68.15 68.92 1wft h THR 69 CO 0.62 0.02 -0.83 -0.94 -0.25 0.00 0.00 175.52 174.13 1wft s SER 70 N -5.40 2.14 0.29 5.36 1.04 -1.26 -1.93 113.70 113.95 1wft s SER 70 Ca -0.01 -0.37 0.03 0.00 0.48 0.00 0.00 55.95 56.08 1wft s SER 70 Cb 0.09 -0.99 -0.06 0.00 0.10 0.00 0.00 66.02 65.17 1wft s SER 70 CO 0.79 0.07 0.07 0.00 0.98 0.00 0.00 173.24 175.15 1wft s THR 72 N -3.48 1.60 -0.08 0.00 2.01 -1.26 -0.90 115.64 113.53 1wft s THR 72 Ca 0.37 -0.82 -0.00 0.00 0.31 0.00 0.00 61.69 61.55 1wft s THR 72 Cb 0.08 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.19 1wft s THR 72 CO 0.14 0.46 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.79 1wft s VAL 73 N -0.03 3.88 0.38 3.82 1.01 -0.72 -5.00 120.40 123.74 1wft s VAL 73 Ca -0.03 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1wft s VAL 73 Cb -0.12 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1wft s VAL 73 CO 0.02 0.59 0.58 0.42 0.00 0.00 0.00 175.10 176.72 1wft s THR 74 N -0.75 4.46 0.14 3.92 -4.23 -1.26 -3.00 115.64 114.93 1wft s THR 74 Ca 0.11 -0.60 -0.17 0.00 -1.18 0.00 0.00 61.69 59.86 1wft s THR 74 Cb -0.11 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 70.10 1wft s THR 74 CO 0.02 -0.38 1.79 0.00 -0.54 0.00 0.00 174.62 175.51 1wft h ALA 75 N 0.64 0.46 -0.84 3.99 0.00 -1.99 -2.80 119.26 118.72 1wft h ALA 75 Ca -0.48 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 54.54 1wft h ALA 75 Cb 1.24 -0.15 -0.15 0.00 0.00 0.00 0.00 17.79 18.74 1wft h ALA 75 CO 0.58 -0.07 -0.27 0.41 0.00 0.00 0.00 179.25 179.90 1wft n GLY 76 N -1.14 -1.58 0.21 0.00 0.00 -1.26 0.50 105.19 101.91 1wft n GLY 76 Ca -0.00 0.92 -0.14 0.00 0.00 0.00 0.00 46.02 46.80 1wft n GLY 76 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1wft h GLN 77 N 0.00 0.69 -0.97 1.61 4.20 -1.94 -3.11 115.11 115.59 1wft h GLN 77 Ca 0.35 -0.40 0.21 0.00 0.06 0.00 0.00 58.65 58.87 1wft h GLN 77 Cb 0.56 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.28 1wft h GLN 77 CO -0.85 1.02 0.62 -0.07 -0.67 0.00 0.00 178.83 178.87 1wft h LEU 78 N 0.41 0.57 -1.38 1.46 3.38 0.31 0.20 115.31 120.26 1wft h LEU 78 Ca 0.03 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.16 1wft h LEU 78 Cb 0.94 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 1wft h LEU 78 CO 0.08 0.20 0.50 0.00 0.09 0.00 0.00 178.44 179.31 1wft h ALA 79 N 1.62 1.78 -0.51 1.53 0.00 -0.89 0.91 119.26 123.71 1wft h ALA 79 Ca 0.54 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 1wft h ALA 79 Cb 1.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1wft h ALA 79 CO -0.28 0.06 0.03 0.27 0.00 0.00 0.00 179.25 179.33 1wft n ASN 80 N -4.50 4.99 -4.58 0.00 0.23 0.66 -4.89 115.26 107.18 1wft n ASN 80 Ca 0.13 -2.83 -0.39 0.00 -0.53 0.00 0.00 54.58 50.95 1wft n ASN 80 Cb 0.32 -0.67 -0.10 0.00 -2.08 0.00 0.00 39.78 37.25 1wft n ASN 80 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wft s ALA 81 N -2.53 3.53 -0.23 -2.53 0.00 0.31 -3.90 121.76 116.42 1wft s ALA 81 Ca 0.47 -1.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.09 1wft s ALA 81 Cb 0.36 -2.64 -0.02 0.00 0.00 0.00 0.00 23.12 20.82 1wft s ALA 81 CO 0.13 -0.73 1.43 -1.58 0.00 0.00 0.00 175.76 175.02 1wft s HIS 82 N 1.91 2.45 -0.25 0.00 5.65 -0.40 -4.94 115.29 119.72 1wft s HIS 82 Ca 0.11 0.73 -0.16 0.00 0.25 0.00 0.00 55.06 55.98 1wft s HIS 82 Cb -0.16 -3.87 -0.03 0.00 -1.18 0.00 0.00 32.58 27.34 1wft s HIS 82 CO 0.11 -2.31 0.42 0.42 -0.65 0.00 0.00 174.74 172.73 1wft s ILE 83 N 4.50 5.15 -0.68 0.89 1.01 -1.26 -4.47 121.20 126.33 1wft s ILE 83 Ca 0.63 0.68 -0.26 0.00 0.00 0.00 0.00 60.65 61.70 1wft s ILE 83 Cb -0.22 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 1wft s ILE 83 CO 0.24 0.16 1.72 1.51 0.00 0.00 0.00 174.94 178.57 1wft s ASP 84 N 1.48 5.51 -0.00 3.58 -4.77 -0.80 -4.80 116.67 116.86 1wft s ASP 84 Ca 0.18 -0.01 0.03 0.00 -3.30 0.00 0.00 52.55 49.45 1wft s ASP 84 Cb -0.15 -2.54 0.10 0.00 -1.09 0.00 0.00 42.92 39.24 1wft s ASP 84 CO 0.09 -2.26 1.07 -1.22 0.70 0.00 0.00 175.17 173.55 1wft n TYR 85 N 11.96 0.16 -1.54 2.11 4.01 -1.26 -2.66 117.16 129.94 1wft n TYR 85 Ca 0.19 -0.08 -0.16 0.00 -0.16 0.00 0.00 57.90 57.69 1wft n TYR 85 Cb 0.51 -0.01 -0.13 0.00 -0.31 0.00 0.00 39.34 39.40 1wft n TYR 85 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1wft n THR 86 N -0.16 0.00 -1.77 -0.72 -2.24 -1.26 -2.70 114.28 105.43 1wft n THR 86 Ca 0.04 -0.50 -0.02 0.00 -2.27 0.00 0.00 64.05 61.30 1wft n THR 86 Cb 0.11 -1.26 -0.00 0.00 -2.10 0.00 0.00 70.33 67.07 1wft n THR 86 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1wft n SER 87 N 13.91 -0.95 -3.15 3.42 2.88 -1.26 -4.72 113.62 123.74 1wft n SER 87 Ca 0.55 0.25 0.06 0.00 -1.33 0.00 0.00 58.87 58.39 1wft n SER 87 Cb 0.32 -1.11 -0.01 0.00 -0.75 0.00 0.00 64.21 62.66 1wft n SER 87 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1wft s ARG 88 N -3.57 0.05 -0.87 -1.46 3.52 -1.10 -5.10 118.95 110.43 1wft s ARG 88 Ca 0.00 0.07 -0.25 0.00 -0.13 0.00 0.00 55.73 55.43 1wft s ARG 88 Cb 0.00 0.04 -0.04 0.00 -1.56 0.00 0.00 34.95 33.38 1wft s ARG 88 CO 0.00 -0.08 1.94 -1.25 -0.81 0.00 0.00 175.30 175.10 1wft s PRO 89 N 2.99 2.56 0.07 5.12 0.04 -1.25 -4.16 135.00 140.37 1wft s PRO 89 Ca 0.11 -0.18 0.03 0.00 0.04 0.00 0.00 61.00 61.00 1wft s PRO 89 Cb -0.04 -4.98 -0.03 0.00 0.04 0.00 0.00 34.50 29.48 1wft s PRO 89 CO -0.15 -3.30 -0.08 0.00 0.04 0.00 0.00 177.00 173.51 1wft s ALA 90 N 9.96 0.84 -0.12 8.56 0.00 -1.09 -0.28 121.76 139.63 1wft s ALA 90 Ca 0.70 -1.04 -0.12 0.00 0.00 0.00 0.00 51.96 51.50 1wft s ALA 90 Cb -0.07 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 1wft s ALA 90 CO 0.02 -0.07 0.28 0.42 0.00 0.00 0.00 175.76 176.40 1wft s ILE 91 N -2.23 5.30 -0.08 0.00 1.01 -0.08 -1.91 121.20 123.21 1wft s ILE 91 Ca -0.00 0.52 -0.11 0.00 0.00 0.00 0.00 60.65 61.05 1wft s ILE 91 Cb -0.04 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 1wft s ILE 91 CO -0.01 0.48 0.27 -0.69 0.00 0.00 0.00 174.94 174.99 1wft s VAL 92 N -0.17 5.28 0.04 2.92 1.01 -1.26 -0.95 120.40 127.27 1wft s VAL 92 Ca 0.17 0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.70 1wft s VAL 92 Cb -0.13 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1wft s VAL 92 CO 0.05 0.56 -0.09 -0.36 0.00 0.00 0.00 175.10 175.26 1wft s PHE 93 N -0.77 0.81 -0.07 5.22 0.08 -1.10 -4.44 117.98 117.71 1wft s PHE 93 Ca 0.19 -0.43 0.05 0.00 0.12 0.00 0.00 56.93 56.85 1wft s PHE 93 Cb -0.14 -0.48 -0.00 0.00 -0.57 0.00 0.00 43.02 41.83 1wft s PHE 93 CO 0.08 -0.04 -0.23 1.03 -0.10 0.00 0.00 175.22 175.96 1wft s ARG 94 N -1.40 2.56 -0.01 0.44 1.81 -1.09 -3.15 118.95 118.12 1wft s ARG 94 Ca -0.06 -0.82 -0.01 0.00 -1.72 0.00 0.00 55.73 53.12 1wft s ARG 94 Cb -0.09 -2.07 -0.00 0.00 -0.45 0.00 0.00 34.95 32.34 1wft s ARG 94 CO 0.01 0.26 0.02 0.42 -0.68 0.00 0.00 175.30 175.33 1wft s ILE 95 N 0.12 0.02 0.19 1.52 1.01 -1.25 -2.04 121.20 120.77 1wft s ILE 95 Ca -0.10 -0.18 -0.23 0.00 0.00 0.00 0.00 60.65 60.14 1wft s ILE 95 Cb -0.15 -0.10 0.06 0.00 0.01 0.00 0.00 42.46 42.28 1wft s ILE 95 CO 0.05 -0.10 0.64 -0.55 0.00 0.00 0.00 174.94 174.99 1wft s SER 96 N -0.28 -0.48 0.13 3.58 0.15 -1.25 -2.92 113.70 112.63 1wft s SER 96 Ca -0.03 -0.17 0.04 0.00 0.70 0.00 0.00 55.95 56.49 1wft s SER 96 Cb -0.02 0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 64.88 1wft s SER 96 CO -0.00 -1.07 0.14 0.00 1.20 0.00 0.00 173.24 173.51 1wft s ALA 97 N -3.78 3.63 -0.15 5.45 0.00 -1.26 -3.69 121.76 121.96 1wft s ALA 97 Ca 0.04 -1.12 -0.05 0.00 0.00 0.00 0.00 51.96 50.83 1wft s ALA 97 Cb -0.02 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 1wft s ALA 97 CO -0.07 0.60 0.02 0.21 0.00 0.00 0.00 175.76 176.51 1wft s LYS 98 N -2.88 3.66 0.49 0.00 2.20 -1.24 -3.83 119.74 118.14 1wft s LYS 98 Ca 0.31 -0.41 0.02 0.00 -0.36 0.00 0.00 55.97 55.53 1wft s LYS 98 Cb -0.11 -3.02 -0.01 0.00 -1.51 0.00 0.00 37.83 33.18 1wft s LYS 98 CO 0.24 0.37 0.05 -0.80 -0.36 0.00 0.00 175.35 174.84 1wft s ASN 99 N 0.07 3.74 0.33 1.43 0.01 0.10 -2.42 114.94 118.21 1wft s ASN 99 Ca 0.03 -1.70 0.12 0.00 -0.71 0.00 0.00 52.86 50.60 1wft s ASN 99 Cb -0.13 0.61 1.04 0.00 0.41 0.00 0.00 41.25 43.19 1wft s ASN 99 CO 0.02 -0.93 1.62 -0.33 -1.51 0.00 0.00 177.10 175.97 1wft h GLU 100 N 1.45 0.15 0.00 -0.60 4.39 -1.99 -1.31 114.58 116.66 1wft h GLU 100 Ca -0.41 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.27 1wft h GLU 100 Cb 1.31 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1wft h GLU 100 CO 0.67 0.10 -0.06 0.87 -1.16 0.00 0.00 179.01 179.43 1wft h LYS 101 N 0.16 0.00 0.00 2.33 1.79 -1.98 -3.51 116.57 115.36 1wft h LYS 101 Ca 0.71 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.18 1wft h LYS 101 Cb 1.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.32 1wft h LYS 101 CO -0.71 0.63 0.00 0.41 -1.08 0.00 0.00 179.45 178.69 1wft n GLY 102 N 1.66 -0.62 3.81 3.86 0.00 -0.50 -5.13 105.19 108.28 1wft n GLY 102 Ca -0.07 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 1wft n GLY 102 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wft s TYR 103 N -4.00 3.55 0.00 1.61 2.02 -1.26 0.01 117.35 119.28 1wft s TYR 103 Ca 0.00 0.58 0.00 0.00 -0.37 0.00 0.00 57.07 57.28 1wft s TYR 103 Cb 0.00 -2.13 0.00 0.00 -0.40 0.00 0.00 41.96 39.43 1wft s TYR 103 CO 0.00 0.52 0.00 0.41 -1.57 0.00 0.00 175.55 174.91 1wft n GLY 104 N 2.58 1.01 3.77 0.71 0.00 -1.25 -4.98 105.19 107.04 1wft n GLY 104 Ca -0.16 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 1wft n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wft s PRO 105 N 3.66 4.16 0.26 1.61 0.04 -1.26 -4.98 135.00 138.48 1wft s PRO 105 Ca 0.00 1.94 0.08 0.00 0.04 0.00 0.00 61.00 63.06 1wft s PRO 105 Cb 0.00 -2.81 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 1wft s PRO 105 CO 0.00 -0.26 0.10 0.00 0.04 0.00 0.00 177.00 176.89 1wft s ALA 106 N -1.32 3.39 -0.08 8.56 0.00 -1.26 -4.48 121.76 126.57 1wft s ALA 106 Ca 0.54 -1.53 0.01 0.00 0.00 0.00 0.00 51.96 50.99 1wft s ALA 106 Cb -0.33 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 1wft s ALA 106 CO 0.42 0.26 -0.10 0.99 0.00 0.00 0.00 175.76 177.34 1wft s THR 107 N -2.22 3.41 -0.27 0.00 2.01 -1.15 -4.98 115.64 112.44 1wft s THR 107 Ca 0.32 -0.58 -0.09 0.00 0.31 0.00 0.00 61.69 61.66 1wft s THR 107 Cb -0.07 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 1wft s THR 107 CO 0.23 0.57 0.12 -1.58 -0.69 0.00 0.00 174.62 173.27 1wft s GLN 108 N -0.49 3.62 0.06 4.92 0.74 -1.26 -3.74 119.66 123.51 1wft s GLN 108 Ca 0.07 -0.52 0.07 0.00 0.05 0.00 0.00 55.36 55.04 1wft s GLN 108 Cb -0.12 -3.47 -0.03 0.00 1.10 0.00 0.00 33.01 30.49 1wft s GLN 108 CO 0.02 -0.26 -0.17 -1.50 -0.55 0.00 0.00 175.29 172.84 1wft s ILE 109 N 1.65 2.90 -0.23 -2.34 2.07 -1.19 -4.99 121.20 119.07 1wft s ILE 109 Ca 0.06 -1.25 0.02 0.00 -1.41 0.00 0.00 60.65 58.07 1wft s ILE 109 Cb -0.16 -2.27 0.04 0.00 0.13 0.00 0.00 42.46 40.21 1wft s ILE 109 CO 0.06 0.26 -0.14 -0.13 -1.91 0.00 0.00 174.94 173.08 1wft s ARG 110 N -1.69 2.56 -0.57 3.50 0.52 -1.26 -2.69 118.95 119.33 1wft s ARG 110 Ca 0.16 -1.13 -0.10 0.00 -0.52 0.00 0.00 55.73 54.14 1wft s ARG 110 Cb -0.11 -2.77 0.14 0.00 0.52 0.00 0.00 34.95 32.74 1wft s ARG 110 CO 0.07 -0.42 0.46 -0.46 0.02 0.00 0.00 175.30 174.97 1wft s TRP 111 N 1.19 3.46 -0.01 -0.53 -0.00 -0.13 -4.83 118.94 118.08 1wft s TRP 111 Ca -0.03 -1.91 -0.36 0.00 -0.00 0.00 0.00 56.10 53.80 1wft s TRP 111 Cb -0.17 -3.57 -0.15 0.00 -0.00 0.00 0.00 33.47 29.58 1wft s TRP 111 CO -0.08 -0.98 1.61 1.28 -0.00 0.00 0.00 176.95 178.78 1wft n LEU 112 N 4.61 2.58 -4.63 5.86 4.77 -1.26 -0.91 117.00 128.02 1wft n LEU 112 Ca -0.03 1.07 -0.29 0.00 -0.03 0.00 0.00 56.01 56.73 1wft n LEU 112 Cb 0.41 -1.28 -0.08 0.00 -2.33 0.00 0.00 43.42 40.14 1wft n LEU 112 CO 0.42 -0.49 -0.23 -1.10 -1.33 0.00 0.00 177.39 174.65 1wft s GLN 113 N 2.05 2.04 0.00 3.23 -1.52 0.62 -4.89 119.66 121.18 1wft s GLN 113 Ca 0.88 -2.27 0.00 0.00 -1.95 0.00 0.00 55.36 52.02 1wft s GLN 113 Cb -0.85 -1.10 0.00 0.00 -0.22 0.00 0.00 33.01 30.84 1wft s GLN 113 CO 0.50 -0.39 0.00 0.41 -0.25 0.00 0.00 175.29 175.56 1wft n GLY 114 N -1.07 0.01 3.63 3.09 0.00 -1.26 -4.75 105.19 104.84 1wft n GLY 114 Ca -0.12 -0.03 -0.53 0.00 0.00 0.00 0.00 46.02 45.33 1wft n GLY 114 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wft n ASN 115 N -1.77 1.91 -4.99 1.61 3.02 -1.26 -4.96 115.26 108.81 1wft n ASN 115 Ca 0.00 1.10 -0.23 0.00 -0.03 0.00 0.00 54.58 55.43 1wft n ASN 115 Cb 0.00 -1.18 0.04 0.00 -0.61 0.00 0.00 39.78 38.03 1wft n ASN 115 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1wft s SER 116 N 1.43 4.85 0.23 6.41 1.04 -1.26 -5.14 113.70 121.26 1wft s SER 116 Ca 0.89 -1.07 0.11 0.00 0.48 0.00 0.00 55.95 56.36 1wft s SER 116 Cb -0.98 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 65.58 1wft s SER 116 CO 0.52 -1.33 -0.22 -1.59 0.98 0.00 0.00 173.24 171.60 1wft s LYS 117 N -4.56 1.56 -0.30 4.02 0.00 -1.26 -5.12 119.74 114.08 1wft s LYS 117 Ca 0.51 -1.61 -0.11 0.00 0.00 0.00 0.00 55.97 54.75 1wft s LYS 117 Cb -0.04 -1.75 -0.04 0.00 0.00 0.00 0.00 37.83 36.00 1wft s LYS 117 CO 0.32 0.36 0.20 0.45 0.00 0.00 0.00 175.35 176.67 1wft s SER 118 N -3.02 5.97 0.00 0.03 0.15 -1.26 -4.99 113.70 110.58 1wft s SER 118 Ca 0.24 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1wft s SER 118 Cb -0.06 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 1wft s SER 118 CO 0.11 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1wft n GLY 119 N 5.06 -1.03 3.77 9.45 0.00 -1.26 -5.17 105.19 116.02 1wft n GLY 119 Ca -0.14 0.91 -0.34 0.00 0.00 0.00 0.00 46.02 46.46 1wft n GLY 119 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wft s PRO 120 N 0.00 3.02 0.98 1.61 0.04 -1.26 -4.99 135.00 134.40 1wft s PRO 120 Ca 0.00 1.47 -0.14 0.00 0.04 0.00 0.00 61.00 62.37 1wft s PRO 120 Cb 0.00 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1wft s PRO 120 CO 0.00 -1.09 0.12 -1.13 0.04 0.00 0.00 177.00 174.94 1wft n SER 121 N -1.98 -2.82 -4.30 6.66 3.41 -1.26 -5.02 113.62 108.31 1wft n SER 121 Ca 0.11 0.26 -0.17 0.00 -0.26 0.00 0.00 58.87 58.80 1wft n SER 121 Cb 0.52 -1.09 -0.10 0.00 -0.26 0.00 0.00 64.21 63.27 1wft n SER 121 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wft s SER 122 N -1.81 2.24 0.00 4.04 0.01 -1.26 -5.34 113.70 111.59 1wft s SER 122 Ca 0.53 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1wft s SER 122 Cb -0.19 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 65.95 1wft s SER 122 CO 0.70 -0.22 0.08 0.61 0.41 0.00 0.00 173.24 174.82