#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wft n SER 2 N 0.00 0.42 -3.69 1.61 2.88 -1.26 -4.85 113.62 108.73 1wft n SER 2 Ca 0.00 0.35 -0.10 0.00 -1.33 0.00 0.00 58.87 57.79 1wft n SER 2 Cb 0.00 -0.73 -0.05 0.00 -0.75 0.00 0.00 64.21 62.67 1wft n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wft s SER 3 N 6.02 -0.15 0.35 -3.46 0.15 -1.26 -5.14 113.70 110.21 1wft s SER 3 Ca 1.03 -0.39 -0.24 0.00 0.70 0.00 0.00 55.95 57.05 1wft s SER 3 Cb -1.12 0.44 -0.14 0.00 -1.71 0.00 0.00 66.02 63.49 1wft s SER 3 CO 0.47 -0.81 0.55 0.61 1.20 0.00 0.00 173.24 175.26 1wft n GLY 4 N -0.14 -1.52 0.13 9.45 0.00 -1.26 -4.93 105.19 106.92 1wft n GLY 4 Ca -0.16 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1wft n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wft n SER 5 N 1.58 1.96 -4.13 1.61 7.64 -1.26 -4.78 113.62 116.24 1wft n SER 5 Ca 0.13 0.28 -0.37 0.00 1.01 0.00 0.00 58.87 59.91 1wft n SER 5 Cb 0.35 -0.82 -0.11 0.00 -1.01 0.00 0.00 64.21 62.62 1wft n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wft s SER 6 N -7.05 5.31 0.00 6.43 0.01 -1.26 -5.03 113.70 112.11 1wft s SER 6 Ca -0.32 -2.05 0.00 0.00 1.31 0.00 0.00 55.95 54.89 1wft s SER 6 Cb 0.09 -1.85 0.00 0.00 0.21 0.00 0.00 66.02 64.47 1wft s SER 6 CO 0.59 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 174.30 1wft n GLY 7 N 4.59 3.24 3.57 3.44 0.00 -1.26 -5.12 105.19 113.65 1wft n GLY 7 Ca -0.02 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 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 1.54 -1.61 0.29 1.61 0.04 -1.26 -4.91 135.00 130.70 1wft s PRO 8 Ca 0.00 -0.20 0.08 0.00 0.04 0.00 0.00 61.00 60.92 1wft s PRO 8 Cb 0.00 -1.56 -0.04 0.00 0.04 0.00 0.00 34.50 32.94 1wft s PRO 8 CO 0.00 -3.94 0.15 0.20 0.04 0.00 0.00 177.00 173.45 1wft s GLY 9 N -4.00 1.67 0.20 0.56 0.00 -1.26 -4.71 107.32 99.78 1wft s GLY 9 Ca 0.72 -1.62 -0.16 0.00 0.00 0.00 0.00 44.72 43.66 1wft s GLY 9 CO 0.56 -1.62 0.63 0.00 0.00 0.00 0.00 173.10 172.67 1wft s ALA 10 N -2.29 3.49 0.41 3.20 0.00 -1.26 -4.57 121.76 120.75 1wft s ALA 10 Ca 0.35 -0.01 -0.25 0.00 0.00 0.00 0.00 51.96 52.05 1wft s ALA 10 Cb -0.06 -2.65 -0.08 0.00 0.00 0.00 0.00 23.12 20.33 1wft s ALA 10 CO 0.23 0.40 1.18 -1.25 0.00 0.00 0.00 175.76 176.32 1wft s PRO 11 N -2.11 3.98 0.24 0.00 0.04 -1.26 -4.34 135.00 131.54 1wft s PRO 11 Ca 0.42 1.86 0.03 0.00 0.04 0.00 0.00 61.00 63.34 1wft s PRO 11 Cb -0.15 -2.62 -0.05 0.00 0.04 0.00 0.00 34.50 31.72 1wft s PRO 11 CO 0.20 -0.39 0.03 -1.54 0.04 0.00 0.00 177.00 175.33 1wft s SER 12 N -1.15 1.64 -0.98 6.66 1.04 -1.21 -4.85 113.70 114.86 1wft s SER 12 Ca 0.59 -1.27 -0.06 0.00 0.48 0.00 0.00 55.95 55.69 1wft s SER 12 Cb -0.31 0.05 0.01 0.00 0.10 0.00 0.00 66.02 65.87 1wft s SER 12 CO 0.39 -0.58 0.85 0.41 0.98 0.00 0.00 173.24 175.29 1wft n THR 13 N -0.43 -2.18 -2.29 2.02 -1.04 -1.26 -3.16 114.28 105.95 1wft n THR 13 Ca -0.04 -0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.56 1wft n THR 13 Cb 0.65 -3.31 -0.03 0.00 -1.82 0.00 0.00 70.33 65.82 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 -3.23 3.35 0.00 12.58 1.01 -1.26 -4.38 120.40 128.48 1wft s VAL 14 Ca 0.42 1.13 0.04 0.00 0.00 0.00 0.00 61.98 63.57 1wft s VAL 14 Cb -0.19 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 1wft s VAL 14 CO 0.52 0.18 -0.12 -0.13 0.00 0.00 0.00 175.10 175.55 1wft s ARG 15 N -0.23 0.95 -0.11 2.72 0.52 -1.00 -4.99 118.95 116.81 1wft s ARG 15 Ca 0.55 -0.52 -0.00 0.00 -0.52 0.00 0.00 55.73 55.23 1wft s ARG 15 Cb -0.35 -0.93 0.02 0.00 0.52 0.00 0.00 34.95 34.22 1wft s ARG 15 CO 0.38 0.25 -0.09 0.42 0.02 0.00 0.00 175.30 176.28 1wft s ILE 16 N -0.46 1.11 0.20 1.52 1.01 -1.26 -1.59 121.20 121.74 1wft s ILE 16 Ca 0.03 -0.35 0.11 0.00 0.00 0.00 0.00 60.65 60.44 1wft s ILE 16 Cb -0.06 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 1wft s ILE 16 CO 0.00 0.38 -0.19 -0.55 0.00 0.00 0.00 174.94 174.58 1wft s SER 17 N 1.58 3.70 -0.01 3.58 0.15 -0.80 -5.00 113.70 116.90 1wft s SER 17 Ca 0.03 -0.80 -0.30 0.00 0.70 0.00 0.00 55.95 55.58 1wft s SER 17 Cb -0.13 -0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 63.74 1wft s SER 17 CO -0.08 0.10 1.19 -0.75 1.20 0.00 0.00 173.24 174.90 1wft s LYS 18 N -2.83 4.39 0.04 5.44 2.47 -1.26 -0.53 119.74 127.46 1wft s LYS 18 Ca 0.23 1.69 0.02 0.00 -1.56 0.00 0.00 55.97 56.35 1wft s LYS 18 Cb -0.08 -3.48 -0.04 0.00 -1.46 0.00 0.00 37.83 32.77 1wft s LYS 18 CO 0.12 -0.35 0.08 1.21 0.16 0.00 0.00 175.35 176.57 1wft s ASN 19 N 1.31 5.59 0.30 1.43 2.47 -0.29 -4.77 114.94 120.98 1wft s ASN 19 Ca 0.57 0.06 0.03 0.00 0.42 0.00 0.00 52.86 53.94 1wft s ASN 19 Cb -0.26 -1.54 0.63 0.00 -1.45 0.00 0.00 41.25 38.62 1wft s ASN 19 CO 0.25 0.22 1.85 0.58 -3.72 0.00 0.00 177.10 176.27 1wft h VAL 20 N 2.85 0.90 0.00 -5.21 2.07 -1.96 -0.46 116.25 114.44 1wft h VAL 20 Ca -0.48 -0.31 -0.17 0.00 0.82 0.00 0.00 66.70 66.56 1wft h VAL 20 Cb 1.17 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1wft h VAL 20 CO 0.64 0.17 -0.79 -0.78 0.02 0.00 0.00 177.57 176.83 1wft h ASP 21 N 0.91 0.00 0.00 0.57 3.58 -1.94 -3.47 116.42 116.07 1wft h ASP 21 Ca 0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.93 1wft h ASP 21 Cb 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1wft h ASP 21 CO -0.24 0.79 0.00 0.61 -2.88 0.00 0.00 179.24 177.52 1wft n GLY 22 N 1.27 -1.53 3.17 -0.78 0.00 -0.18 -4.67 105.19 102.48 1wft n GLY 22 Ca 0.01 0.73 -0.25 0.00 0.00 0.00 0.00 46.02 46.51 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 0.00 1.40 -0.42 -0.61 1.01 -0.97 -1.14 121.20 120.46 1wft s ILE 23 Ca 0.00 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 59.84 1wft s ILE 23 Cb 0.00 -1.16 0.11 0.00 0.01 0.00 0.00 42.46 41.42 1wft s ILE 23 CO 0.00 0.39 0.24 -2.28 0.00 0.00 0.00 174.94 173.29 1wft s HIS 24 N -0.42 3.52 0.17 3.97 5.65 0.31 -1.79 115.29 126.69 1wft s HIS 24 Ca 0.07 -2.19 -0.23 0.00 0.25 0.00 0.00 55.06 52.95 1wft s HIS 24 Cb -0.07 -3.26 -0.08 0.00 -1.18 0.00 0.00 32.58 28.00 1wft s HIS 24 CO -0.01 -0.97 0.74 -1.17 -0.65 0.00 0.00 174.74 172.69 1wft s LEU 25 N 1.22 4.53 0.13 8.88 2.96 0.26 -1.91 118.68 134.75 1wft s LEU 25 Ca 0.07 1.55 -0.09 0.00 -0.22 0.00 0.00 54.13 55.44 1wft s LEU 25 Cb -0.24 -3.32 -0.00 0.00 0.50 0.00 0.00 46.19 43.13 1wft s LEU 25 CO -0.03 0.18 0.24 -0.55 -1.32 0.00 0.00 176.35 174.87 1wft s SER 26 N -1.26 0.07 0.23 3.68 0.15 -0.62 -0.20 113.70 115.75 1wft s SER 26 Ca 0.37 -0.74 -0.21 0.00 0.70 0.00 0.00 55.95 56.06 1wft s SER 26 Cb -0.21 0.39 0.07 0.00 -1.71 0.00 0.00 66.02 64.56 1wft s SER 26 CO 0.24 -0.81 0.96 -1.66 1.20 0.00 0.00 173.24 173.17 1wft s TRP 27 N -3.91 0.05 0.16 3.44 -2.14 -1.20 -2.37 118.94 112.98 1wft s TRP 27 Ca 0.11 -0.51 0.08 0.00 2.66 0.00 0.00 56.10 58.43 1wft s TRP 27 Cb 0.04 0.73 -0.04 0.00 -3.10 0.00 0.00 33.47 31.10 1wft s TRP 27 CO -0.06 -1.09 -0.18 -1.21 -2.66 0.00 0.00 176.95 171.76 1wft s GLU 28 N -2.38 1.25 0.50 3.25 0.41 -1.19 -4.81 118.70 115.73 1wft s GLU 28 Ca 0.19 -1.38 -0.21 0.00 -0.41 0.00 0.00 54.97 53.16 1wft s GLU 28 Cb -0.03 -1.30 -0.07 0.00 -1.78 0.00 0.00 34.13 30.95 1wft s GLU 28 CO 0.07 0.27 1.15 -1.25 -0.49 0.00 0.00 175.26 175.00 1wft s PRO 29 N -2.73 3.54 0.50 0.39 0.04 -1.26 -3.33 135.00 132.14 1wft s PRO 29 Ca 0.15 1.69 -0.21 0.00 0.04 0.00 0.00 61.00 62.66 1wft s PRO 29 Cb -0.06 -2.19 -0.07 0.00 0.04 0.00 0.00 34.50 32.22 1wft s PRO 29 CO 0.06 -0.71 1.15 -1.25 0.04 0.00 0.00 177.00 176.29 1wft s PRO 30 N -3.01 3.57 -0.83 0.56 0.04 -1.26 -4.62 135.00 129.45 1wft s PRO 30 Ca 0.69 1.70 -0.16 0.00 0.04 0.00 0.00 61.00 63.26 1wft s PRO 30 Cb -0.26 -2.22 0.18 0.00 0.04 0.00 0.00 34.50 32.23 1wft s PRO 30 CO 0.30 -0.69 0.87 -0.08 0.04 0.00 0.00 177.00 177.45 1wft s THR 31 N -1.65 5.23 0.11 1.26 -1.32 -1.26 -4.97 115.64 113.05 1wft s THR 31 Ca 0.68 -2.01 -0.21 0.00 -1.21 0.00 0.00 61.69 58.94 1wft s THR 31 Cb -0.26 -4.57 0.05 0.00 -1.51 0.00 0.00 72.50 66.21 1wft s THR 31 CO 0.31 -1.19 0.52 -0.44 -2.21 0.00 0.00 174.62 171.61 1wft s SER 32 N 2.83 -0.44 0.00 8.08 0.01 -1.26 -5.02 113.70 117.90 1wft s SER 32 Ca 0.22 -0.02 0.09 0.00 1.31 0.00 0.00 55.95 57.55 1wft s SER 32 Cb -0.10 0.53 0.52 0.00 0.21 0.00 0.00 66.02 67.18 1wft s SER 32 CO -0.07 -0.85 0.97 -0.81 0.41 0.00 0.00 173.24 172.88 1wft n PRO 33 N -0.06 0.49 -0.77 12.44 -0.04 -1.26 -4.90 135.00 140.90 1wft n PRO 33 Ca -0.17 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.04 1wft n PRO 33 Cb 0.63 -1.28 -0.00 0.00 -0.04 0.00 0.00 33.50 32.81 1wft n PRO 33 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wft n SER 34 N -0.78 -1.73 0.00 3.54 3.41 -1.26 -4.93 113.62 111.87 1wft n SER 34 Ca 0.07 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1wft n SER 34 Cb 0.03 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 1wft n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wft n GLY 35 N 1.40 -1.83 3.53 5.00 0.00 -1.26 -4.85 105.19 107.18 1wft n GLY 35 Ca 0.07 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1wft n GLY 35 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wft s ASN 36 N -1.86 5.60 -0.56 1.61 0.01 -1.26 -5.05 114.94 113.43 1wft s ASN 36 Ca 0.00 -0.09 -0.23 0.00 -0.71 0.00 0.00 52.86 51.83 1wft s ASN 36 Cb 0.00 -2.02 0.05 0.00 0.41 0.00 0.00 41.25 39.68 1wft s ASN 36 CO 0.00 -0.03 0.89 -0.63 -1.51 0.00 0.00 177.10 175.82 1wft s ILE 37 N 1.62 4.47 1.01 0.60 -1.09 -1.26 -4.51 121.20 122.02 1wft s ILE 37 Ca 0.07 0.06 -0.16 0.00 -2.23 0.00 0.00 60.65 58.38 1wft s ILE 37 Cb -0.15 -4.52 0.20 0.00 -1.58 0.00 0.00 42.46 36.41 1wft s ILE 37 CO 0.07 -1.10 1.22 -0.76 -1.23 0.00 0.00 174.94 173.14 1wft s LEU 38 N 3.73 2.02 0.59 2.97 1.43 -1.01 -4.96 118.68 123.44 1wft s LEU 38 Ca 0.27 0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 53.75 1wft s LEU 38 Cb -0.14 -2.59 -0.13 0.00 0.03 0.00 0.00 46.19 43.36 1wft s LEU 38 CO 0.17 -3.01 -0.32 -0.62 0.23 0.00 0.00 176.35 172.80 1wft n GLU 39 N -4.00 0.00 -2.83 1.70 4.71 -1.26 -4.49 120.64 114.47 1wft n GLU 39 Ca 0.12 0.00 -0.20 0.00 -0.01 0.00 0.00 57.16 57.07 1wft n GLU 39 Cb 0.60 -0.86 0.02 0.00 -1.01 0.00 0.00 31.44 30.19 1wft n GLU 39 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1wft s TYR 40 N -1.72 2.91 -0.06 -0.32 2.02 0.13 -4.08 117.35 116.22 1wft s TYR 40 Ca 0.44 -0.10 -0.01 0.00 -0.37 0.00 0.00 57.07 57.03 1wft s TYR 40 Cb -0.33 -2.55 0.03 0.00 -0.40 0.00 0.00 41.96 38.70 1wft s TYR 40 CO 0.62 -0.64 -0.01 0.45 -1.57 0.00 0.00 175.55 174.41 1wft s SER 41 N -4.36 1.27 -0.24 2.29 0.15 -1.20 -2.88 113.70 108.72 1wft s SER 41 Ca 0.55 -0.08 -0.06 0.00 0.70 0.00 0.00 55.95 57.06 1wft s SER 41 Cb -0.10 -0.40 -0.02 0.00 -1.71 0.00 0.00 66.02 63.79 1wft s SER 41 CO 0.36 -0.15 0.03 0.00 1.20 0.00 0.00 173.24 174.68 1wft s ALA 42 N 1.62 3.04 0.32 5.45 0.00 -0.58 -3.17 121.76 128.44 1wft s ALA 42 Ca -0.01 -1.14 0.08 0.00 0.00 0.00 0.00 51.96 50.90 1wft s ALA 42 Cb -0.13 -1.94 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 1wft s ALA 42 CO -0.04 -0.46 0.17 0.71 0.00 0.00 0.00 175.76 176.15 1wft s TYR 43 N 1.55 2.82 -0.11 0.00 1.51 -0.12 -0.63 117.35 122.37 1wft s TYR 43 Ca 0.06 -0.30 -0.04 0.00 -1.01 0.00 0.00 57.07 55.78 1wft s TYR 43 Cb -0.15 -1.59 0.06 0.00 -0.11 0.00 0.00 41.96 40.17 1wft s TYR 43 CO 0.01 0.36 0.21 -1.17 -1.11 0.00 0.00 175.55 173.85 1wft s LEU 44 N -3.86 -0.19 0.12 -1.29 2.96 -1.17 -1.88 118.68 113.37 1wft s LEU 44 Ca 0.37 0.43 -0.34 0.00 -0.22 0.00 0.00 54.13 54.36 1wft s LEU 44 Cb -0.05 0.49 -0.14 0.00 0.50 0.00 0.00 46.19 46.99 1wft s LEU 44 CO 0.24 -0.25 1.57 0.00 -1.32 0.00 0.00 176.35 176.59 1wft n ALA 45 N 5.34 0.96 -2.28 5.97 0.00 -1.16 -2.99 120.51 126.36 1wft n ALA 45 Ca -0.05 0.44 -0.17 0.00 0.00 0.00 0.00 53.44 53.65 1wft n ALA 45 Cb 0.50 -2.32 -0.09 0.00 0.00 0.00 0.00 19.45 17.54 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 1.19 0.00 -0.08 0.00 -5.25 -1.13 -1.07 121.20 114.87 1wft s ILE 46 Ca 0.81 -1.99 0.03 0.00 -0.99 0.00 0.00 60.65 58.51 1wft s ILE 46 Cb -0.73 -2.50 -0.02 0.00 2.95 0.00 0.00 42.46 42.16 1wft s ILE 46 CO 0.41 0.00 -0.16 -0.13 -1.79 0.00 0.00 174.94 173.27 1wft s ARG 47 N -3.62 2.78 -0.18 0.37 0.52 -1.16 -4.30 118.95 113.36 1wft s ARG 47 Ca 0.40 -0.73 -0.00 0.00 -0.52 0.00 0.00 55.73 54.88 1wft s ARG 47 Cb 0.03 -2.41 0.01 0.00 0.52 0.00 0.00 34.95 33.10 1wft s ARG 47 CO 0.24 0.45 -0.16 -0.08 0.02 0.00 0.00 175.30 175.77 1wft s THR 48 N -0.29 2.49 -0.72 0.02 -1.32 -1.26 -5.04 115.64 109.51 1wft s THR 48 Ca 0.02 -0.81 -0.26 0.00 -1.21 0.00 0.00 61.69 59.43 1wft s THR 48 Cb -0.13 -2.06 0.00 0.00 -1.51 0.00 0.00 72.50 68.80 1wft s THR 48 CO 0.03 0.51 1.59 0.00 -2.21 0.00 0.00 174.62 174.54 1wft s ALA 49 N 1.15 2.42 0.00 11.08 0.00 -1.26 -4.57 121.76 130.57 1wft s ALA 49 Ca 0.01 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1wft s ALA 49 Cb -0.14 -4.33 0.00 0.00 0.00 0.00 0.00 23.12 18.65 1wft s ALA 49 CO -0.06 -3.70 0.00 0.00 0.00 0.00 0.00 175.76 172.00 1wft n GLN 50 N 9.22 0.10 -3.35 0.00 10.64 -1.26 -5.05 117.38 127.67 1wft n GLN 50 Ca 0.16 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 55.15 1wft n GLN 50 Cb 0.50 -0.71 0.07 0.00 -0.86 0.00 0.00 30.24 29.25 1wft n GLN 50 CO 0.00 0.00 0.00 -1.33 -1.83 0.00 0.00 177.06 173.90 1wft n MET 51 N -1.86 -6.34 -4.35 2.61 2.81 -1.26 -5.02 117.12 103.71 1wft n MET 51 Ca 0.00 0.71 -0.21 0.00 -1.81 0.00 0.00 57.70 56.39 1wft n MET 51 Cb 0.21 -5.38 -0.11 0.00 -0.71 0.00 0.00 33.22 27.23 1wft n MET 51 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1wft s GLN 52 N -5.73 1.33 -0.82 0.03 -1.52 -1.26 -5.04 119.66 106.64 1wft s GLN 52 Ca 0.30 -1.50 -0.23 0.00 -1.95 0.00 0.00 55.36 51.98 1wft s GLN 52 Cb -0.13 -1.31 -0.18 0.00 -0.22 0.00 0.00 33.01 31.17 1wft s GLN 52 CO 0.62 0.25 2.37 -0.25 -0.25 0.00 0.00 175.29 178.03 1wft n ASP 53 N 0.00 1.18 -4.67 5.90 8.00 -1.26 -4.89 116.55 120.81 1wft n ASP 53 Ca -0.11 -1.27 -0.27 0.00 0.71 0.00 0.00 54.79 53.86 1wft n ASP 53 Cb 0.58 -1.44 -0.08 0.00 -0.02 0.00 0.00 41.12 40.17 1wft n ASP 53 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wft s ASN 54 N 8.83 4.79 1.22 -2.24 2.20 -1.26 -5.13 114.94 123.36 1wft s ASN 54 Ca 1.01 -0.39 -0.18 0.00 -0.94 0.00 0.00 52.86 52.36 1wft s ASN 54 Cb -0.28 -1.03 0.27 0.00 -2.00 0.00 0.00 41.25 38.21 1wft s ASN 54 CO 0.18 0.09 0.96 -0.81 -2.94 0.00 0.00 177.10 174.59 1wft n PRO 55 N -0.11 -2.91 -1.46 3.55 -0.04 -1.26 -4.94 135.00 127.83 1wft n PRO 55 Ca -0.10 -1.54 -0.34 0.00 -0.04 0.00 0.00 63.50 61.48 1wft n PRO 55 Cb 0.55 -1.45 0.06 0.00 -0.04 0.00 0.00 33.50 32.62 1wft n PRO 55 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wft n SER 56 N -4.66 7.49 -3.86 3.54 2.88 -1.26 -4.81 113.62 112.95 1wft n SER 56 Ca 0.13 -3.71 -0.30 0.00 -1.33 0.00 0.00 58.87 53.67 1wft n SER 56 Cb 0.52 -1.02 -0.14 0.00 -0.75 0.00 0.00 64.21 62.82 1wft n SER 56 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1wft s GLN 57 N -3.60 1.55 -0.17 -1.46 1.11 -1.26 -5.08 119.66 110.75 1wft s GLN 57 Ca 0.58 -2.17 -0.31 0.00 0.01 0.00 0.00 55.36 53.48 1wft s GLN 57 Cb 0.46 -2.84 -0.14 0.00 -1.01 0.00 0.00 33.01 29.48 1wft s GLN 57 CO -0.13 -1.09 0.94 1.28 0.01 0.00 0.00 175.29 176.30 1wft n LEU 58 N 3.57 0.41 -4.60 2.90 4.77 -1.26 -4.82 117.00 117.98 1wft n LEU 58 Ca 0.05 0.83 -0.43 0.00 -0.03 0.00 0.00 56.01 56.44 1wft n LEU 58 Cb 0.35 -0.64 -0.04 0.00 -2.33 0.00 0.00 43.42 40.77 1wft n LEU 58 CO 0.27 -0.99 0.76 -0.69 -1.33 0.00 0.00 177.39 175.41 1wft s VAL 59 N 1.03 4.57 0.25 4.08 1.01 -1.26 -4.94 120.40 125.14 1wft s VAL 59 Ca 0.69 1.15 -0.01 0.00 0.00 0.00 0.00 61.98 63.81 1wft s VAL 59 Cb -0.98 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.02 1wft s VAL 59 CO 0.49 -0.57 0.46 -0.36 0.00 0.00 0.00 175.10 175.12 1wft s PHE 60 N 3.50 3.48 -0.06 5.22 0.40 -1.26 -2.83 117.98 126.44 1wft s PHE 60 Ca 0.38 0.40 0.01 0.00 -0.60 0.00 0.00 56.93 57.12 1wft s PHE 60 Cb -0.12 -1.91 0.02 0.00 0.51 0.00 0.00 43.02 41.52 1wft s PHE 60 CO 0.19 0.29 -0.07 0.00 0.70 0.00 0.00 175.22 176.33 1wft s MET 61 N -3.58 1.22 -0.01 0.44 0.23 -1.16 -4.89 119.30 111.55 1wft s MET 61 Ca 0.40 -0.22 -0.37 0.00 -1.03 0.00 0.00 55.69 54.47 1wft s MET 61 Cb -0.11 -1.16 -0.16 0.00 -1.53 0.00 0.00 34.83 31.88 1wft s MET 61 CO 0.30 -0.09 1.53 -2.13 -2.03 0.00 0.00 175.02 172.61 1wft n ARG 62 N 4.18 1.40 -0.06 3.16 0.00 -1.26 -3.05 116.66 121.03 1wft n ARG 62 Ca -0.21 0.51 -0.07 0.00 -0.00 0.00 0.00 57.85 58.08 1wft n ARG 62 Cb 0.51 -2.20 -0.08 0.00 0.00 0.00 0.00 32.46 30.68 1wft n ARG 62 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 1wft n ILE 63 N 3.44 0.81 -4.03 5.15 -5.35 0.20 -4.95 119.36 114.63 1wft n ILE 63 Ca 0.21 -0.44 -0.16 0.00 -0.27 0.00 0.00 62.75 62.09 1wft n ILE 63 Cb 0.20 -0.80 -0.15 0.00 -1.74 0.00 0.00 39.64 37.15 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 -2.28 0.35 -0.48 4.28 6.14 -1.12 -5.04 117.35 119.20 1wft s TYR 64 Ca -0.10 -0.05 0.03 0.00 0.64 0.00 0.00 57.07 57.59 1wft s TYR 64 Cb 0.04 -0.30 0.14 0.00 0.42 0.00 0.00 41.96 42.26 1wft s TYR 64 CO 0.43 -0.06 0.28 0.00 0.64 0.00 0.00 175.55 176.84 1wft s GLY 66 N 0.04 0.47 0.00 0.00 0.00 -1.14 -4.96 107.32 101.73 1wft s GLY 66 Ca 0.19 -0.82 -0.00 0.00 0.00 0.00 0.00 44.72 44.09 1wft s GLY 66 CO -0.03 -0.69 0.86 0.17 0.00 0.00 0.00 173.10 173.41 1wft h LEU 67 N 2.37 0.31 -9.29 0.66 -0.00 -1.90 0.39 115.31 107.85 1wft h LEU 67 Ca -0.29 -0.44 -0.60 0.00 -0.00 0.00 0.00 57.88 56.55 1wft h LEU 67 Cb 1.24 -0.10 0.16 0.00 -0.00 0.00 0.00 40.66 41.97 1wft h LEU 67 CO 0.41 1.37 -0.61 1.17 -0.00 0.00 0.00 178.44 180.79 1wft n LYS 68 N -3.40 0.38 -0.98 0.17 3.00 -1.26 -4.57 118.16 111.50 1wft n LYS 68 Ca -0.15 0.14 -0.21 0.00 -0.00 0.00 0.00 58.31 58.09 1wft n LYS 68 Cb 1.03 -1.42 0.05 0.00 0.00 0.00 0.00 35.03 34.70 1wft n LYS 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1wft n THR 69 N -1.30 2.94 -3.65 3.15 -2.24 -1.26 -4.80 114.28 107.12 1wft n THR 69 Ca 0.11 -1.90 -0.05 0.00 -2.27 0.00 0.00 64.05 59.94 1wft n THR 69 Cb 0.44 -1.25 -0.06 0.00 -2.10 0.00 0.00 70.33 67.36 1wft n THR 69 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wft s SER 70 N -0.31 -0.93 0.28 3.42 1.04 -1.26 -3.21 113.70 112.72 1wft s SER 70 Ca 0.39 1.44 0.11 0.00 0.48 0.00 0.00 55.95 58.37 1wft s SER 70 Cb 0.31 1.71 -0.05 0.00 0.10 0.00 0.00 66.02 68.08 1wft s SER 70 CO -0.00 -0.23 -0.17 0.00 0.98 0.00 0.00 173.24 173.82 1wft s THR 72 N -2.63 1.42 -0.01 0.00 2.01 -1.26 -0.57 115.64 114.60 1wft s THR 72 Ca 0.29 -1.03 0.05 0.00 0.31 0.00 0.00 61.69 61.31 1wft s THR 72 Cb -0.03 -1.24 -0.01 0.00 0.01 0.00 0.00 72.50 71.23 1wft s THR 72 CO 0.14 0.18 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.40 1wft s VAL 73 N -0.73 1.23 0.41 3.82 1.01 -0.74 -4.96 120.40 120.44 1wft s VAL 73 Ca 0.05 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.42 1wft s VAL 73 Cb -0.08 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1wft s VAL 73 CO 0.01 0.33 0.25 0.42 0.00 0.00 0.00 175.10 176.11 1wft s THR 74 N -0.40 2.51 0.10 3.92 -4.23 -1.26 -2.30 115.64 113.98 1wft s THR 74 Ca 0.06 -1.57 -0.24 0.00 -1.18 0.00 0.00 61.69 58.76 1wft s THR 74 Cb -0.06 -3.00 -0.13 0.00 1.34 0.00 0.00 72.50 70.65 1wft s THR 74 CO -0.00 -0.02 1.71 0.00 -0.54 0.00 0.00 174.62 175.77 1wft h ALA 75 N 1.29 -0.12 -0.94 3.99 0.00 -1.99 -0.76 119.26 120.74 1wft h ALA 75 Ca -0.42 -0.01 0.39 0.00 0.00 0.00 0.00 54.91 54.86 1wft h ALA 75 Cb 1.26 0.10 -0.17 0.00 0.00 0.00 0.00 17.79 18.98 1wft h ALA 75 CO 0.65 -0.58 0.47 0.41 0.00 0.00 0.00 179.25 180.20 1wft n GLY 76 N -1.18 -0.75 0.10 0.00 0.00 -1.26 -0.67 105.19 101.43 1wft n GLY 76 Ca -0.07 0.78 -0.19 0.00 0.00 0.00 0.00 46.02 46.54 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 0.05 -0.93 1.61 4.20 -1.88 -3.38 115.11 114.78 1wft h GLN 77 Ca 0.78 -0.09 0.16 0.00 0.06 0.00 0.00 58.65 59.56 1wft h GLN 77 Cb 2.05 0.03 -0.16 0.00 0.30 0.00 0.00 27.48 29.70 1wft h GLN 77 CO -0.74 1.04 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.06 1wft h LEU 78 N -0.85 -1.21 -1.04 1.46 3.38 0.62 0.80 115.31 118.47 1wft h LEU 78 Ca -0.22 0.29 0.31 0.00 0.09 0.00 0.00 57.88 58.36 1wft h LEU 78 Cb 1.30 0.68 -0.14 0.00 0.09 0.00 0.00 40.66 42.58 1wft h LEU 78 CO -0.08 -0.30 0.59 0.00 0.09 0.00 0.00 178.44 178.75 1wft h ALA 79 N 1.52 1.98 0.00 1.53 0.00 -1.38 1.22 119.26 124.13 1wft h ALA 79 Ca 0.37 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.36 1wft h ALA 79 Cb 0.62 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1wft h ALA 79 CO -0.95 -0.57 -0.44 -0.91 0.00 0.00 0.00 179.25 176.39 1wft h ASN 80 N 0.35 0.00 -3.17 0.00 2.35 0.42 -3.44 115.58 112.09 1wft h ASN 80 Ca 0.72 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.94 1wft h ASN 80 Cb 1.64 0.00 0.07 0.00 0.05 0.00 0.00 38.32 40.09 1wft h ASN 80 CO -0.57 0.44 0.90 0.00 -1.65 0.00 0.00 177.43 176.55 1wft s ALA 81 N -3.74 3.77 -0.52 -0.83 0.00 0.42 -3.00 121.76 117.87 1wft s ALA 81 Ca -0.01 1.54 -0.28 0.00 0.00 0.00 0.00 51.96 53.21 1wft s ALA 81 Cb 0.12 -3.65 -0.00 0.00 0.00 0.00 0.00 23.12 19.59 1wft s ALA 81 CO 0.71 -0.93 1.62 -1.58 0.00 0.00 0.00 175.76 175.58 1wft s HIS 82 N 0.30 2.01 -0.59 0.00 2.46 -0.23 -4.88 115.29 114.36 1wft s HIS 82 Ca 0.66 0.60 -0.28 0.00 0.47 0.00 0.00 55.06 56.51 1wft s HIS 82 Cb -0.47 -4.25 0.02 0.00 -0.13 0.00 0.00 32.58 27.75 1wft s HIS 82 CO 0.43 -2.28 1.40 0.42 -2.47 0.00 0.00 174.74 172.24 1wft s ILE 83 N 7.09 3.78 -0.81 0.89 -1.09 -1.26 -4.42 121.20 125.38 1wft s ILE 83 Ca 0.63 0.64 -0.25 0.00 -2.23 0.00 0.00 60.65 59.43 1wft s ILE 83 Cb -0.14 -4.50 -0.01 0.00 -1.58 0.00 0.00 42.46 36.23 1wft s ILE 83 CO 0.26 -1.26 1.71 1.51 -1.23 0.00 0.00 174.94 175.92 1wft s ASP 84 N 4.38 5.62 -0.00 3.58 -4.77 -0.98 -4.79 116.67 119.71 1wft s ASP 84 Ca 0.50 -0.47 0.02 0.00 -3.30 0.00 0.00 52.55 49.29 1wft s ASP 84 Cb -0.10 -2.55 0.05 0.00 -1.09 0.00 0.00 42.92 39.22 1wft s ASP 84 CO 0.24 -2.23 1.02 -1.22 0.70 0.00 0.00 175.17 173.67 1wft n TYR 85 N 11.81 0.07 -1.47 2.11 4.01 -1.26 -2.86 117.16 129.56 1wft n TYR 85 Ca 0.26 -0.03 -0.14 0.00 -0.16 0.00 0.00 57.90 57.83 1wft n TYR 85 Cb 0.50 -0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.41 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 -0.34 0.00 -1.81 -0.72 -2.24 -1.26 -2.65 114.28 105.26 1wft n THR 86 Ca 0.02 -0.40 -0.05 0.00 -2.27 0.00 0.00 64.05 61.35 1wft n THR 86 Cb 0.05 -1.21 -0.01 0.00 -2.10 0.00 0.00 70.33 67.06 1wft n THR 86 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wft n SER 87 N 13.68 -1.71 -3.15 3.42 7.64 -1.26 -4.76 113.62 127.49 1wft n SER 87 Ca 0.45 0.25 0.06 0.00 1.01 0.00 0.00 58.87 60.64 1wft n SER 87 Cb 0.37 -1.71 -0.01 0.00 -1.01 0.00 0.00 64.21 61.85 1wft n SER 87 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1wft s ARG 88 N -3.71 0.05 -0.88 1.43 3.52 -1.09 -5.10 118.95 113.18 1wft s ARG 88 Ca 0.00 0.06 -0.25 0.00 -0.13 0.00 0.00 55.73 55.42 1wft s ARG 88 Cb 0.00 0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.38 1wft s ARG 88 CO 0.00 -0.07 1.94 -1.25 -0.81 0.00 0.00 175.30 175.11 1wft s PRO 89 N 2.99 2.57 0.29 5.12 0.04 -1.25 -4.17 135.00 140.59 1wft s PRO 89 Ca 0.11 -0.22 0.02 0.00 0.04 0.00 0.00 61.00 60.96 1wft s PRO 89 Cb -0.04 -5.01 -0.05 0.00 0.04 0.00 0.00 34.50 29.45 1wft s PRO 89 CO -0.15 -3.32 0.11 0.00 0.04 0.00 0.00 177.00 173.69 1wft s ALA 90 N 9.97 1.98 -0.01 8.56 0.00 -1.14 -1.54 121.76 139.59 1wft s ALA 90 Ca 0.70 -1.80 0.05 0.00 0.00 0.00 0.00 51.96 50.91 1wft s ALA 90 Cb -0.07 1.01 -0.03 0.00 0.00 0.00 0.00 23.12 24.03 1wft s ALA 90 CO 0.01 -0.45 -0.16 0.42 0.00 0.00 0.00 175.76 175.59 1wft s ILE 91 N -3.61 2.94 -0.26 0.00 1.01 -0.63 -2.32 121.20 118.34 1wft s ILE 91 Ca 0.36 -0.92 -0.09 0.00 0.00 0.00 0.00 60.65 60.00 1wft s ILE 91 Cb 0.07 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 1wft s ILE 91 CO 0.15 0.48 0.14 -0.69 0.00 0.00 0.00 174.94 175.02 1wft s VAL 92 N -0.81 4.95 0.37 2.92 1.01 -1.26 -1.32 120.40 126.25 1wft s VAL 92 Ca 0.13 0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.23 1wft s VAL 92 Cb -0.11 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1wft s VAL 92 CO 0.03 0.31 0.17 -0.36 0.00 0.00 0.00 175.10 175.24 1wft s PHE 93 N 1.52 2.67 -0.03 5.22 0.08 -0.63 -2.96 117.98 123.86 1wft s PHE 93 Ca 0.07 -0.45 -0.01 0.00 0.12 0.00 0.00 56.93 56.65 1wft s PHE 93 Cb -0.15 -1.76 0.02 0.00 -0.57 0.00 0.00 43.02 40.56 1wft s PHE 93 CO 0.07 0.27 0.06 1.03 -0.10 0.00 0.00 175.22 176.55 1wft s ARG 94 N -3.88 0.04 -0.05 0.44 1.81 -0.79 -2.99 118.95 113.54 1wft s ARG 94 Ca 0.39 0.14 -0.03 0.00 -1.72 0.00 0.00 55.73 54.52 1wft s ARG 94 Cb -0.01 -0.07 0.03 0.00 -0.45 0.00 0.00 34.95 34.45 1wft s ARG 94 CO 0.23 -0.07 0.12 0.42 -0.68 0.00 0.00 175.30 175.32 1wft s ILE 95 N 0.46 -0.03 0.13 1.52 1.01 -0.12 -0.95 121.20 123.23 1wft s ILE 95 Ca -0.04 0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.61 1wft s ILE 95 Cb -0.05 -0.19 0.01 0.00 0.01 0.00 0.00 42.46 42.24 1wft s ILE 95 CO -0.02 0.05 0.31 -0.44 0.00 0.00 0.00 174.94 174.84 1wft s SER 96 N 0.72 -0.04 0.17 3.58 0.01 -1.19 -0.76 113.70 116.18 1wft s SER 96 Ca -0.05 -0.60 0.04 0.00 1.31 0.00 0.00 55.95 56.65 1wft s SER 96 Cb -0.07 0.43 -0.04 0.00 0.21 0.00 0.00 66.02 66.55 1wft s SER 96 CO -0.03 -0.85 0.21 0.00 0.41 0.00 0.00 173.24 172.98 1wft s ALA 97 N -3.88 3.74 -0.13 1.44 0.00 -1.26 -3.24 121.76 118.42 1wft s ALA 97 Ca 0.08 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.89 1wft s ALA 97 Cb 0.03 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.62 1wft s ALA 97 CO -0.07 0.48 -0.19 0.21 0.00 0.00 0.00 175.76 176.18 1wft s LYS 98 N -3.26 3.13 0.39 0.00 2.20 -1.26 -4.17 119.74 116.77 1wft s LYS 98 Ca 0.33 -0.81 0.07 0.00 -0.36 0.00 0.00 55.97 55.20 1wft s LYS 98 Cb -0.10 -2.48 -0.08 0.00 -1.51 0.00 0.00 37.83 33.66 1wft s LYS 98 CO 0.26 0.07 0.00 -0.80 -0.36 0.00 0.00 175.35 174.53 1wft s ASN 99 N 0.63 3.66 0.31 1.43 -0.87 0.56 -2.40 114.94 118.25 1wft s ASN 99 Ca -0.10 -1.35 0.16 0.00 -1.57 0.00 0.00 52.86 50.00 1wft s ASN 99 Cb -0.16 -0.35 1.08 0.00 -0.02 0.00 0.00 41.25 41.80 1wft s ASN 99 CO 0.02 -0.44 1.33 -0.62 -2.57 0.00 0.00 177.10 174.82 1wft n GLU 100 N -0.91 -0.05 0.14 -0.60 -0.58 -1.26 -0.57 120.64 116.80 1wft n GLU 100 Ca -0.05 1.17 -0.06 0.00 -0.42 0.00 0.00 57.16 57.80 1wft n GLU 100 Cb 0.67 -2.07 -0.03 0.00 -0.57 0.00 0.00 31.44 29.43 1wft n GLU 100 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1wft h LYS 101 N 0.00 -0.39 0.00 3.49 1.79 -1.98 -3.50 116.57 115.98 1wft h LYS 101 Ca 0.69 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.19 1wft h LYS 101 Cb 1.81 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 32.54 1wft h LYS 101 CO -0.66 -0.26 0.00 0.41 -1.08 0.00 0.00 179.45 177.86 1wft n GLY 102 N 0.53 -0.43 3.13 3.86 0.00 0.26 -5.14 105.19 107.41 1wft n GLY 102 Ca -0.05 0.46 -0.26 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 1.69 0.00 1.61 2.02 -1.26 -0.33 117.35 121.08 1wft s TYR 103 Ca 0.00 -0.47 0.00 0.00 -0.37 0.00 0.00 57.07 56.23 1wft s TYR 103 Cb 0.00 -1.14 0.00 0.00 -0.40 0.00 0.00 41.96 40.42 1wft s TYR 103 CO 0.00 -0.16 0.00 0.41 -1.57 0.00 0.00 175.55 174.23 1wft n GLY 104 N 3.11 0.72 3.75 0.71 0.00 -1.26 -4.75 105.19 107.47 1wft n GLY 104 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 3.14 4.41 -0.02 1.61 0.04 -1.26 -4.76 135.00 138.16 1wft s PRO 105 Ca 0.00 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.07 1wft s PRO 105 Cb 0.00 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 1wft s PRO 105 CO 0.00 -0.18 0.15 0.00 0.04 0.00 0.00 177.00 177.00 1wft s ALA 106 N -0.29 3.83 -0.12 8.56 0.00 -1.26 -4.63 121.76 127.85 1wft s ALA 106 Ca 0.54 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.70 1wft s ALA 106 Cb -0.36 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 20.93 1wft s ALA 106 CO 0.41 0.71 -0.06 0.99 0.00 0.00 0.00 175.76 177.82 1wft s THR 107 N -1.25 3.77 0.20 0.00 2.01 0.06 -4.97 115.64 115.46 1wft s THR 107 Ca 0.24 -0.42 0.10 0.00 0.31 0.00 0.00 61.69 61.92 1wft s THR 107 Cb -0.12 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 1wft s THR 107 CO 0.15 0.54 -0.14 -1.58 -0.69 0.00 0.00 174.62 172.90 1wft s GLN 108 N -0.12 1.88 -0.04 4.92 0.74 -1.26 -0.94 119.66 124.85 1wft s GLN 108 Ca 0.02 -1.41 -0.23 0.00 0.05 0.00 0.00 55.36 53.79 1wft s GLN 108 Cb -0.13 -2.03 0.05 0.00 1.10 0.00 0.00 33.01 32.00 1wft s GLN 108 CO 0.03 0.41 0.49 -1.50 -0.55 0.00 0.00 175.29 174.17 1wft s ILE 109 N -1.84 0.03 -0.13 -2.34 2.07 -1.16 -4.99 121.20 112.83 1wft s ILE 109 Ca 0.25 -0.23 -0.01 0.00 -1.41 0.00 0.00 60.65 59.25 1wft s ILE 109 Cb -0.08 -0.80 -0.02 0.00 0.13 0.00 0.00 42.46 41.69 1wft s ILE 109 CO 0.14 -0.13 -0.10 -0.13 -1.91 0.00 0.00 174.94 172.81 1wft s ARG 110 N -1.18 3.36 -0.32 3.50 0.52 -1.26 -1.60 118.95 121.98 1wft s ARG 110 Ca -0.12 -0.63 0.01 0.00 -0.52 0.00 0.00 55.73 54.48 1wft s ARG 110 Cb -0.03 -2.69 0.10 0.00 0.52 0.00 0.00 34.95 32.85 1wft s ARG 110 CO 0.07 0.28 0.06 -0.46 0.02 0.00 0.00 175.30 175.27 1wft s TRP 111 N 0.19 2.69 0.08 -0.53 -0.00 -0.43 -4.90 118.94 116.03 1wft s TRP 111 Ca -0.06 -2.30 -0.35 0.00 -0.00 0.00 0.00 56.10 53.38 1wft s TRP 111 Cb -0.15 -2.24 -0.15 0.00 -0.00 0.00 0.00 33.47 30.93 1wft s TRP 111 CO 0.04 -0.90 1.53 1.28 -0.00 0.00 0.00 176.95 178.90 1wft n LEU 112 N 4.57 2.52 -4.76 5.86 4.77 -1.26 -1.60 117.00 127.09 1wft n LEU 112 Ca -0.00 1.09 -0.36 0.00 -0.03 0.00 0.00 56.01 56.70 1wft n LEU 112 Cb 0.42 -1.31 0.03 0.00 -2.33 0.00 0.00 43.42 40.23 1wft n LEU 112 CO 0.17 -0.57 0.86 -1.10 -1.33 0.00 0.00 177.39 175.41 1wft s GLN 113 N 1.24 3.09 0.00 3.23 -0.21 -0.59 -4.89 119.66 121.54 1wft s GLN 113 Ca 0.84 1.87 0.03 0.00 0.02 0.00 0.00 55.36 58.11 1wft s GLN 113 Cb -0.81 -2.03 -0.01 0.00 1.00 0.00 0.00 33.01 31.16 1wft s GLN 113 CO 0.45 -1.12 -0.08 0.20 -2.12 0.00 0.00 175.29 172.62 1wft s GLY 114 N -1.49 0.42 0.04 3.09 0.00 -1.26 -4.98 107.32 103.13 1wft s GLY 114 Ca 0.75 -0.42 -0.30 0.00 0.00 0.00 0.00 44.72 44.75 1wft s GLY 114 CO 0.35 -0.38 1.85 0.21 0.00 0.00 0.00 173.10 175.12 1wft s ASN 115 N -0.44 6.51 -0.24 1.64 2.47 -1.26 -4.96 114.94 118.65 1wft s ASN 115 Ca 0.01 2.58 -0.26 0.00 0.42 0.00 0.00 52.86 55.61 1wft s ASN 115 Cb -0.04 -2.54 0.07 0.00 -1.45 0.00 0.00 41.25 37.29 1wft s ASN 115 CO -0.00 -1.00 0.72 -0.55 -3.72 0.00 0.00 177.10 172.55 1wft s SER 116 N 3.72 -0.73 -0.29 -4.21 0.15 -1.26 -5.17 113.70 105.92 1wft s SER 116 Ca 0.83 1.35 -0.20 0.00 0.70 0.00 0.00 55.95 58.62 1wft s SER 116 Cb -0.41 1.34 0.13 0.00 -1.71 0.00 0.00 66.02 65.38 1wft s SER 116 CO 0.37 -0.29 1.01 -1.59 1.20 0.00 0.00 173.24 173.94 1wft s LYS 117 N 0.18 0.43 -0.29 5.44 0.00 -1.26 -5.17 119.74 119.06 1wft s LYS 117 Ca -0.01 0.62 -0.16 0.00 0.00 0.00 0.00 55.97 56.42 1wft s LYS 117 Cb -0.04 0.15 0.18 0.00 0.00 0.00 0.00 37.83 38.12 1wft s LYS 117 CO 0.02 -0.07 1.12 0.45 0.00 0.00 0.00 175.35 176.87 1wft s SER 118 N 0.78 -0.29 -0.23 0.03 0.15 -1.26 -5.15 113.70 107.73 1wft s SER 118 Ca -0.03 0.46 -0.05 0.00 0.70 0.00 0.00 55.95 57.03 1wft s SER 118 Cb -0.04 1.13 -0.01 0.00 -1.71 0.00 0.00 66.02 65.38 1wft s SER 118 CO -0.11 -0.07 -0.01 -0.83 1.20 0.00 0.00 173.24 173.42 1wft s GLY 119 N 1.23 1.65 0.87 9.45 0.00 -1.26 -5.02 107.32 114.24 1wft s GLY 119 Ca -0.08 -1.16 -0.11 0.00 0.00 0.00 0.00 44.72 43.37 1wft s GLY 119 CO -0.12 0.46 1.09 2.56 0.00 0.00 0.00 173.10 177.09 1wft s PRO 120 N 1.52 1.47 -0.23 2.90 0.04 -1.26 -5.03 135.00 134.40 1wft s PRO 120 Ca 0.06 0.90 -0.08 0.00 0.04 0.00 0.00 61.00 61.92 1wft s PRO 120 Cb -0.14 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1wft s PRO 120 CO -0.01 -2.12 0.09 0.45 0.04 0.00 0.00 177.00 175.45 1wft s SER 121 N -3.41 5.42 0.08 6.66 0.15 -1.26 -5.08 113.70 116.26 1wft s SER 121 Ca 0.63 -0.09 -0.10 0.00 0.70 0.00 0.00 55.95 57.09 1wft s SER 121 Cb -0.18 -1.97 0.01 0.00 -1.71 0.00 0.00 66.02 62.17 1wft s SER 121 CO 0.57 0.03 0.23 -0.94 1.20 0.00 0.00 173.24 174.33 1wft s SER 122 N 1.24 0.03 0.00 5.45 1.04 -1.26 -5.38 113.70 114.82 1wft s SER 122 Ca 0.05 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1wft s SER 122 Cb -0.14 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1wft s SER 122 CO 0.04 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.17