#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 3.02 0.06 1.61 0.01 -1.26 -5.03 113.70 112.12 1wft s SER 2 Ca 0.00 1.16 0.00 0.00 1.31 0.00 0.00 55.95 58.42 1wft s SER 2 Cb 0.00 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.42 1wft s SER 2 CO 0.00 -2.88 0.00 -1.54 0.41 0.00 0.00 173.24 169.23 1wft n SER 3 N -4.01 0.39 0.00 2.44 3.41 -1.26 -5.14 113.62 109.46 1wft n SER 3 Ca 0.06 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1wft n SER 3 Cb 0.57 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1wft n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wft n GLY 4 N 2.88 0.62 3.30 5.00 0.00 -1.26 -5.00 105.19 110.73 1wft n GLY 4 Ca 0.00 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 -5.26 -4.29 1.61 7.64 -1.26 -4.96 113.62 107.10 1wft n SER 5 Ca 0.00 -0.48 -0.45 0.00 1.01 0.00 0.00 58.87 58.95 1wft n SER 5 Cb 0.00 -4.48 -0.04 0.00 -1.01 0.00 0.00 64.21 58.67 1wft n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wft s SER 6 N -3.42 6.31 0.00 6.43 0.15 -1.26 -5.02 113.70 116.89 1wft s SER 6 Ca 0.44 -2.28 0.00 0.00 0.70 0.00 0.00 55.95 54.80 1wft s SER 6 Cb -0.19 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1wft s SER 6 CO 0.64 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 175.01 1wft n GLY 7 N 4.51 7.25 3.76 9.45 0.00 -1.26 -5.09 105.19 123.81 1wft n GLY 7 Ca 0.01 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 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 1.13 4.45 1.42 1.61 0.04 -1.26 -4.90 135.00 137.48 1wft s PRO 8 Ca 0.00 2.06 -0.24 0.00 0.04 0.00 0.00 61.00 62.86 1wft s PRO 8 Cb 0.00 -3.13 0.37 0.00 0.04 0.00 0.00 34.50 31.78 1wft s PRO 8 CO 0.00 -0.08 0.86 0.41 0.04 0.00 0.00 177.00 178.23 1wft n GLY 9 N 1.22 -3.88 3.77 0.56 0.00 -1.26 -4.26 105.19 101.33 1wft n GLY 9 Ca 0.01 -1.30 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.18 3.55 0.18 4.61 0.00 -1.26 -4.64 121.76 122.03 1wft s ALA 10 Ca 0.65 -0.84 -0.30 0.00 0.00 0.00 0.00 51.96 51.47 1wft s ALA 10 Cb -0.11 -1.59 -0.09 0.00 0.00 0.00 0.00 23.12 21.33 1wft s ALA 10 CO 0.54 0.67 1.31 -1.25 0.00 0.00 0.00 175.76 177.03 1wft s PRO 11 N -1.52 4.38 0.45 0.00 0.04 -1.26 -4.29 135.00 132.79 1wft s PRO 11 Ca 0.20 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.34 1wft s PRO 11 Cb -0.12 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 1wft s PRO 11 CO 0.11 -0.27 0.09 0.45 0.04 0.00 0.00 177.00 177.41 1wft s SER 12 N 0.45 4.15 -0.99 6.66 0.15 -0.85 -4.80 113.70 118.47 1wft s SER 12 Ca 0.58 -1.35 -0.01 0.00 0.70 0.00 0.00 55.95 55.86 1wft s SER 12 Cb -0.36 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 63.83 1wft s SER 12 CO 0.37 -0.63 0.83 0.41 1.20 0.00 0.00 173.24 175.42 1wft n THR 13 N -1.18 -4.42 -2.60 6.45 -1.04 -1.26 -1.25 114.28 108.97 1wft n THR 13 Ca -0.07 -0.33 -0.43 0.00 -2.04 0.00 0.00 64.05 61.17 1wft n THR 13 Cb 0.66 -4.34 -0.02 0.00 -1.82 0.00 0.00 70.33 64.81 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 -3.28 4.20 -0.14 12.58 1.01 -1.26 -3.77 120.40 129.74 1wft s VAL 14 Ca 0.08 1.21 -0.04 0.00 0.00 0.00 0.00 61.98 63.22 1wft s VAL 14 Cb -0.04 -4.61 -0.03 0.00 0.00 0.00 0.00 36.38 31.70 1wft s VAL 14 CO 0.59 -1.02 0.02 -0.13 0.00 0.00 0.00 175.10 174.55 1wft s ARG 15 N 4.47 3.54 -0.16 2.72 0.52 0.16 -4.97 118.95 125.22 1wft s ARG 15 Ca 0.48 -0.40 0.01 0.00 -0.52 0.00 0.00 55.73 55.30 1wft s ARG 15 Cb -0.07 -2.99 0.02 0.00 0.52 0.00 0.00 34.95 32.43 1wft s ARG 15 CO 0.32 0.43 -0.19 0.42 0.02 0.00 0.00 175.30 176.30 1wft s ILE 16 N -0.12 1.95 0.02 1.52 1.01 -1.26 -1.73 121.20 122.59 1wft s ILE 16 Ca 0.05 -0.88 0.07 0.00 0.00 0.00 0.00 60.65 59.88 1wft s ILE 16 Cb -0.12 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 1wft s ILE 16 CO 0.02 0.52 -0.19 -0.44 0.00 0.00 0.00 174.94 174.85 1wft s SER 17 N 1.20 2.30 0.18 3.58 0.01 -0.98 -5.01 113.70 114.98 1wft s SER 17 Ca 0.02 -0.45 -0.30 0.00 1.31 0.00 0.00 55.95 56.52 1wft s SER 17 Cb -0.14 -0.21 -0.09 0.00 0.21 0.00 0.00 66.02 65.80 1wft s SER 17 CO -0.09 0.17 1.36 -0.75 0.41 0.00 0.00 173.24 174.34 1wft s LYS 18 N -0.92 4.34 0.11 12.44 2.20 -1.26 -0.15 119.74 136.51 1wft s LYS 18 Ca 0.07 2.12 0.07 0.00 -0.36 0.00 0.00 55.97 57.87 1wft s LYS 18 Cb -0.08 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 33.01 1wft s LYS 18 CO 0.01 -0.35 -0.10 1.21 -0.36 0.00 0.00 175.35 175.76 1wft s ASN 19 N 0.59 4.39 0.56 1.43 3.84 0.92 -4.75 114.94 121.92 1wft s ASN 19 Ca 0.60 -0.40 0.25 0.00 0.21 0.00 0.00 52.86 53.52 1wft s ASN 19 Cb -0.38 -0.83 1.53 0.00 -0.55 0.00 0.00 41.25 41.02 1wft s ASN 19 CO 0.37 0.17 2.09 0.58 -2.79 0.00 0.00 177.10 177.52 1wft h VAL 20 N 3.20 0.64 0.00 -5.21 2.07 -1.99 0.11 116.25 115.08 1wft h VAL 20 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1wft h VAL 20 Cb 1.17 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1wft h VAL 20 CO 0.52 0.00 -1.10 -0.67 0.02 0.00 0.00 177.57 176.34 1wft n ASP 21 N -4.09 0.60 0.00 0.57 2.03 -1.26 -5.04 116.55 109.35 1wft n ASP 21 Ca 0.02 -0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.10 1wft n ASP 21 Cb 0.34 0.90 0.00 0.00 -0.72 0.00 0.00 41.12 41.63 1wft n ASP 21 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wft n GLY 22 N 1.36 -0.93 3.04 0.27 0.00 0.37 -4.30 105.19 105.01 1wft n GLY 22 Ca 0.02 0.39 -0.23 0.00 0.00 0.00 0.00 46.02 46.20 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 1.04 -0.54 -0.61 1.01 -0.81 -0.05 121.20 121.23 1wft s ILE 23 Ca 0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 60.65 60.05 1wft s ILE 23 Cb 0.00 -0.93 0.14 0.00 0.01 0.00 0.00 42.46 41.68 1wft s ILE 23 CO 0.00 0.32 0.46 -2.28 0.00 0.00 0.00 174.94 173.44 1wft s HIS 24 N 0.34 3.37 0.09 3.97 2.46 0.79 -2.59 115.29 123.72 1wft s HIS 24 Ca -0.07 -1.63 -0.23 0.00 0.47 0.00 0.00 55.06 53.60 1wft s HIS 24 Cb -0.12 -3.67 -0.07 0.00 -0.13 0.00 0.00 32.58 28.60 1wft s HIS 24 CO 0.02 -1.00 0.70 -1.17 -2.47 0.00 0.00 174.74 170.81 1wft s LEU 25 N 1.32 4.52 -0.14 8.88 2.96 -0.45 -2.31 118.68 133.46 1wft s LEU 25 Ca 0.06 1.43 -0.17 0.00 -0.22 0.00 0.00 54.13 55.23 1wft s LEU 25 Cb -0.26 -3.13 0.04 0.00 0.50 0.00 0.00 46.19 43.34 1wft s LEU 25 CO 0.00 0.16 0.46 -0.44 -1.32 0.00 0.00 176.35 175.21 1wft s SER 26 N -0.72 -0.45 0.27 3.68 0.01 -0.71 -0.93 113.70 114.86 1wft s SER 26 Ca 0.34 0.78 -0.08 0.00 1.31 0.00 0.00 55.95 58.30 1wft s SER 26 Cb -0.21 0.81 -0.01 0.00 0.21 0.00 0.00 66.02 66.82 1wft s SER 26 CO 0.22 -0.25 0.43 -1.66 0.41 0.00 0.00 173.24 172.40 1wft s TRP 27 N -0.15 0.68 0.10 2.43 -2.14 -0.40 0.37 118.94 119.83 1wft s TRP 27 Ca -0.03 -0.99 0.06 0.00 2.66 0.00 0.00 56.10 57.80 1wft s TRP 27 Cb -0.03 0.02 -0.04 0.00 -3.10 0.00 0.00 33.47 30.31 1wft s TRP 27 CO 0.02 -1.00 -0.06 -1.21 -2.66 0.00 0.00 176.95 172.04 1wft s GLU 28 N -3.71 2.30 0.79 3.25 2.02 -0.38 -4.73 118.70 118.23 1wft s GLU 28 Ca 0.27 -0.95 -0.11 0.00 0.02 0.00 0.00 54.97 54.20 1wft s GLU 28 Cb 0.00 -2.40 0.07 0.00 0.10 0.00 0.00 34.13 31.90 1wft s GLU 28 CO 0.13 0.52 1.09 -1.25 0.02 0.00 0.00 175.26 175.77 1wft s PRO 29 N -2.27 2.13 0.16 0.39 0.04 -1.26 -2.00 135.00 132.18 1wft s PRO 29 Ca 0.23 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 62.10 1wft s PRO 29 Cb -0.11 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 1wft s PRO 29 CO 0.16 -1.72 1.33 -1.25 0.04 0.00 0.00 177.00 175.55 1wft s PRO 30 N -4.91 4.37 0.00 0.56 0.04 -1.26 -4.50 135.00 129.30 1wft s PRO 30 Ca 0.61 2.04 0.19 0.00 0.04 0.00 0.00 61.00 63.88 1wft s PRO 30 Cb -0.17 -3.22 0.80 0.00 0.04 0.00 0.00 34.50 31.94 1wft s PRO 30 CO 0.56 -0.32 1.55 -2.37 0.04 0.00 0.00 177.00 176.47 1wft n THR 31 N 3.18 0.16 -3.31 1.26 5.66 -1.26 -4.87 114.28 115.09 1wft n THR 31 Ca 0.08 -0.24 -0.32 0.00 -3.05 0.00 0.00 64.05 60.52 1wft n THR 31 Cb 0.43 0.15 -0.06 0.00 -1.55 0.00 0.00 70.33 69.30 1wft n THR 31 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1wft s SER 32 N -1.51 6.69 -0.45 1.09 0.15 -1.26 -5.01 113.70 113.41 1wft s SER 32 Ca 0.29 1.06 -0.28 0.00 0.70 0.00 0.00 55.95 57.72 1wft s SER 32 Cb 0.15 -2.28 -0.01 0.00 -1.71 0.00 0.00 66.02 62.16 1wft s SER 32 CO 0.23 -0.11 1.76 -2.16 1.20 0.00 0.00 173.24 174.15 1wft s PRO 33 N -2.84 3.12 0.00 5.44 0.04 -1.26 -4.73 135.00 134.77 1wft s PRO 33 Ca 0.49 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1wft s PRO 33 Cb -0.11 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1wft s PRO 33 CO 0.20 -2.12 0.00 -1.13 0.04 0.00 0.00 177.00 173.98 1wft n SER 34 N 10.92 3.81 0.00 6.66 3.41 -1.26 -4.94 113.62 132.21 1wft n SER 34 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1wft n SER 34 Cb 0.49 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 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 3.10 0.31 3.23 5.00 0.00 -1.26 -4.91 105.19 110.65 1wft n GLY 35 Ca 0.00 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 1wft n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wft s ASN 36 N -4.00 4.65 -0.75 1.61 2.20 -1.26 -5.06 114.94 112.34 1wft s ASN 36 Ca 0.00 -0.93 -0.23 0.00 -0.94 0.00 0.00 52.86 50.76 1wft s ASN 36 Cb 0.00 -1.73 0.07 0.00 -2.00 0.00 0.00 41.25 37.59 1wft s ASN 36 CO 0.00 -0.18 1.09 -0.63 -2.94 0.00 0.00 177.10 174.45 1wft s ILE 37 N 1.35 4.22 0.00 0.54 -1.09 -1.26 -4.61 121.20 120.35 1wft s ILE 37 Ca -0.01 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.00 1wft s ILE 37 Cb -0.18 -4.78 0.00 0.00 -1.58 0.00 0.00 42.46 35.93 1wft s ILE 37 CO -0.02 -1.59 0.82 0.18 -1.23 0.00 0.00 174.94 173.10 1wft n LEU 38 N 7.99 0.00 0.00 2.97 4.77 -1.24 -4.84 117.00 126.64 1wft n LEU 38 Ca 0.05 0.82 -0.10 0.00 -0.03 0.00 0.00 56.01 56.75 1wft n LEU 38 Cb 0.47 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1wft n LEU 38 CO 0.64 -0.36 0.02 -0.62 -1.33 0.00 0.00 177.39 175.75 1wft n GLU 39 N -2.47 0.32 -4.56 3.23 4.71 -1.26 -4.97 120.64 115.64 1wft n GLU 39 Ca 0.00 -1.72 -0.26 0.00 -0.01 0.00 0.00 57.16 55.17 1wft n GLU 39 Cb 0.00 1.53 -0.11 0.00 -1.01 0.00 0.00 31.44 31.85 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 -3.32 2.40 -0.23 -0.32 1.51 -0.70 -3.47 117.35 113.22 1wft s TYR 40 Ca 0.19 -0.62 -0.16 0.00 -1.01 0.00 0.00 57.07 55.48 1wft s TYR 40 Cb 0.00 -1.54 0.07 0.00 -0.11 0.00 0.00 41.96 40.38 1wft s TYR 40 CO 0.14 0.47 0.59 0.45 -1.11 0.00 0.00 175.55 176.08 1wft s SER 41 N -3.64 -0.73 0.01 2.29 0.15 -1.21 -3.94 113.70 106.63 1wft s SER 41 Ca 0.34 1.25 0.05 0.00 0.70 0.00 0.00 55.95 58.29 1wft s SER 41 Cb 0.06 1.17 -0.03 0.00 -1.71 0.00 0.00 66.02 65.52 1wft s SER 41 CO 0.17 -0.22 -0.15 0.00 1.20 0.00 0.00 173.24 174.24 1wft s ALA 42 N 1.15 2.68 0.17 5.45 0.00 -1.21 -3.31 121.76 126.69 1wft s ALA 42 Ca -0.07 -1.10 0.06 0.00 0.00 0.00 0.00 51.96 50.86 1wft s ALA 42 Cb -0.06 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 1wft s ALA 42 CO -0.11 0.58 -0.13 0.71 0.00 0.00 0.00 175.76 176.80 1wft s TYR 43 N -0.88 1.52 -0.07 0.00 1.51 -0.09 -1.56 117.35 117.78 1wft s TYR 43 Ca 0.14 -0.63 -0.03 0.00 -1.01 0.00 0.00 57.07 55.54 1wft s TYR 43 Cb -0.11 -0.74 0.04 0.00 -0.11 0.00 0.00 41.96 41.05 1wft s TYR 43 CO 0.04 0.24 0.12 -1.17 -1.11 0.00 0.00 175.55 173.67 1wft s LEU 44 N -3.13 0.03 0.02 -1.29 2.96 -0.40 -1.39 118.68 115.48 1wft s LEU 44 Ca 0.18 0.24 -0.36 0.00 -0.22 0.00 0.00 54.13 53.98 1wft s LEU 44 Cb -0.00 0.13 -0.14 0.00 0.50 0.00 0.00 46.19 46.68 1wft s LEU 44 CO 0.04 -0.24 1.62 0.00 -1.32 0.00 0.00 176.35 176.45 1wft n ALA 45 N 5.28 0.47 -3.99 5.97 0.00 -1.10 -3.19 120.51 123.95 1wft n ALA 45 Ca -0.05 0.41 -0.21 0.00 0.00 0.00 0.00 53.44 53.59 1wft n ALA 45 Cb 0.50 -2.30 -0.01 0.00 0.00 0.00 0.00 19.45 17.63 1wft n ALA 45 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1wft n ILE 46 N 3.80 0.00 -0.51 0.00 -5.35 0.70 -0.07 119.36 117.93 1wft n ILE 46 Ca 0.20 -1.60 -0.29 0.00 -0.27 0.00 0.00 62.75 60.79 1wft n ILE 46 Cb 0.24 -0.02 0.27 0.00 -1.74 0.00 0.00 39.64 38.39 1wft n ILE 46 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1wft s ARG 47 N -3.53 -1.78 -0.00 6.28 3.52 -1.13 -4.32 118.95 117.99 1wft s ARG 47 Ca 0.16 0.50 0.01 0.00 -0.13 0.00 0.00 55.73 56.27 1wft s ARG 47 Cb -0.01 -1.48 -0.00 0.00 -1.56 0.00 0.00 34.95 31.89 1wft s ARG 47 CO 0.10 -4.20 -0.04 -0.08 -0.81 0.00 0.00 175.30 170.26 1wft s THR 48 N -2.42 0.35 0.51 4.11 -1.32 -1.26 -4.66 115.64 110.95 1wft s THR 48 Ca 0.69 -0.19 -0.21 0.00 -1.21 0.00 0.00 61.69 60.76 1wft s THR 48 Cb -0.20 -0.30 -0.08 0.00 -1.51 0.00 0.00 72.50 70.41 1wft s THR 48 CO 0.62 0.10 0.89 0.00 -2.21 0.00 0.00 174.62 174.02 1wft n ALA 49 N 2.96 -0.10 -1.76 11.08 0.00 -1.26 -4.93 120.51 126.50 1wft n ALA 49 Ca -0.13 0.11 -0.40 0.00 0.00 0.00 0.00 53.44 53.03 1wft n ALA 49 Cb 0.58 -2.04 -0.05 0.00 0.00 0.00 0.00 19.45 17.95 1wft n ALA 49 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1wft s GLN 50 N -2.26 4.64 -0.30 0.00 -2.07 -1.26 -5.04 119.66 113.37 1wft s GLN 50 Ca 0.68 1.65 -0.11 0.00 -1.82 0.00 0.00 55.36 55.76 1wft s GLN 50 Cb -0.49 -3.11 0.12 0.00 -1.09 0.00 0.00 33.01 28.44 1wft s GLN 50 CO 0.53 0.26 0.66 1.41 -1.32 0.00 0.00 175.29 176.83 1wft s MET 51 N -1.54 0.60 -0.47 9.60 1.75 -1.26 -5.07 119.30 122.90 1wft s MET 51 Ca 0.45 1.41 -0.41 0.00 -1.25 0.00 0.00 55.69 55.89 1wft s MET 51 Cb -0.28 0.75 -0.17 0.00 2.84 0.00 0.00 34.83 37.97 1wft s MET 51 CO 0.36 -0.19 2.17 0.94 -0.65 0.00 0.00 175.02 177.65 1wft n GLN 52 N 5.25 0.29 -3.05 4.11 0.00 -1.26 -0.15 117.38 122.56 1wft n GLN 52 Ca -0.13 0.08 -0.13 0.00 -0.00 0.00 0.00 57.00 56.81 1wft n GLN 52 Cb 0.51 -1.76 0.07 0.00 0.00 0.00 0.00 30.24 29.05 1wft n GLN 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1wft n ASP 53 N 8.23 -3.32 -4.73 1.69 -0.08 -1.26 -4.96 116.55 112.12 1wft n ASP 53 Ca 0.52 -0.52 -0.41 0.00 -1.51 0.00 0.00 54.79 52.86 1wft n ASP 53 Cb 0.03 -4.21 -0.03 0.00 2.34 0.00 0.00 41.12 39.25 1wft n ASP 53 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wft s ASN 54 N -3.81 7.10 0.78 1.67 4.22 0.79 -5.02 114.94 120.66 1wft s ASN 54 Ca 0.13 2.18 -0.11 0.00 -2.14 0.00 0.00 52.86 52.92 1wft s ASN 54 Cb -0.02 -2.60 0.06 0.00 1.28 0.00 0.00 41.25 39.97 1wft s ASN 54 CO 0.58 -0.38 1.09 -2.16 -2.04 0.00 0.00 177.10 174.19 1wft s PRO 55 N 0.03 2.22 -0.52 3.55 0.04 -1.26 -4.88 135.00 134.18 1wft s PRO 55 Ca 0.54 1.16 -0.26 0.00 0.04 0.00 0.00 61.00 62.48 1wft s PRO 55 Cb -0.32 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 1wft s PRO 55 CO 0.35 -1.67 2.35 -1.12 0.04 0.00 0.00 177.00 176.95 1wft s SER 56 N -3.39 4.49 0.07 6.66 0.01 -1.26 -4.92 113.70 115.37 1wft s SER 56 Ca 0.61 0.96 0.05 0.00 1.31 0.00 0.00 55.95 58.88 1wft s SER 56 Cb -0.17 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 1wft s SER 56 CO 0.56 -2.87 -0.14 -1.10 0.41 0.00 0.00 173.24 170.09 1wft s GLN 57 N 8.17 0.84 -0.07 12.44 -1.52 -1.26 -5.14 119.66 133.11 1wft s GLN 57 Ca 0.94 -0.98 -0.02 0.00 -1.95 0.00 0.00 55.36 53.36 1wft s GLN 57 Cb -0.16 -0.85 0.03 0.00 -0.22 0.00 0.00 33.01 31.81 1wft s GLN 57 CO 0.25 0.19 0.02 -0.51 -0.25 0.00 0.00 175.29 174.98 1wft s LEU 58 N -1.78 0.49 -0.26 2.90 1.43 -1.26 -4.99 118.68 115.21 1wft s LEU 58 Ca -0.01 -0.09 -0.16 0.00 -1.03 0.00 0.00 54.13 52.84 1wft s LEU 58 Cb -0.10 -0.36 -0.03 0.00 0.03 0.00 0.00 46.19 45.73 1wft s LEU 58 CO 0.02 -0.22 0.41 -0.69 0.23 0.00 0.00 176.35 176.10 1wft s VAL 59 N 2.02 5.15 -0.21 -1.59 1.01 -1.26 -5.00 120.40 120.53 1wft s VAL 59 Ca 0.05 0.66 -0.06 0.00 0.00 0.00 0.00 61.98 62.63 1wft s VAL 59 Cb -0.13 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1wft s VAL 59 CO -0.05 0.15 0.03 -0.36 0.00 0.00 0.00 175.10 174.86 1wft s PHE 60 N 2.07 3.08 0.06 5.22 0.40 -1.26 -0.21 117.98 127.33 1wft s PHE 60 Ca 0.17 -0.35 0.10 0.00 -0.60 0.00 0.00 56.93 56.24 1wft s PHE 60 Cb -0.16 -2.12 -0.03 0.00 0.51 0.00 0.00 43.02 41.23 1wft s PHE 60 CO 0.10 -0.20 -0.26 0.00 0.70 0.00 0.00 175.22 175.56 1wft s MET 61 N 1.02 1.75 0.14 0.44 0.23 -1.19 -4.85 119.30 116.84 1wft s MET 61 Ca 0.03 -1.14 -0.31 0.00 -1.03 0.00 0.00 55.69 53.23 1wft s MET 61 Cb -0.14 -1.97 -0.09 0.00 -1.53 0.00 0.00 34.83 31.10 1wft s MET 61 CO 0.02 0.50 1.52 0.50 -2.03 0.00 0.00 175.02 175.53 1wft s ARG 62 N -1.34 4.25 -0.08 3.16 3.52 -1.26 -1.28 118.95 125.91 1wft s ARG 62 Ca 0.12 2.27 0.07 0.00 -0.13 0.00 0.00 55.73 58.06 1wft s ARG 62 Cb -0.10 -3.21 -0.10 0.00 -1.56 0.00 0.00 34.95 29.97 1wft s ARG 62 CO 0.03 -0.56 0.03 0.44 -0.81 0.00 0.00 175.30 174.42 1wft n ILE 63 N 4.02 0.58 -4.92 4.11 -5.35 -0.60 -4.93 119.36 112.26 1wft n ILE 63 Ca 0.13 -0.35 -0.27 0.00 -0.27 0.00 0.00 62.75 61.99 1wft n ILE 63 Cb 0.40 -0.78 -0.16 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 -2.20 1.79 -0.12 4.28 5.04 -1.24 -4.96 117.35 119.94 1wft s TYR 64 Ca -0.04 -0.45 0.02 0.00 -2.44 0.00 0.00 57.07 54.15 1wft s TYR 64 Cb 0.03 -1.18 0.02 0.00 0.35 0.00 0.00 41.96 41.17 1wft s TYR 64 CO 0.34 -0.11 -0.16 0.00 -1.34 0.00 0.00 175.55 174.27 1wft n GLY 66 N 4.28 -0.81 0.02 0.00 0.00 -1.25 -5.00 105.19 102.43 1wft n GLY 66 Ca -0.19 -0.91 0.01 0.00 0.00 0.00 0.00 46.02 44.93 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 1.60 -4.91 0.99 -0.00 -1.26 -1.72 117.00 111.69 1wft n LEU 67 Ca 0.00 -1.69 -0.28 0.00 -0.00 0.00 0.00 56.01 54.04 1wft n LEU 67 Cb 0.00 -0.04 -0.04 0.00 -0.00 0.00 0.00 43.42 43.34 1wft n LEU 67 CO 0.00 0.42 -0.13 -0.75 -0.00 0.00 0.00 177.39 176.92 1wft s LYS 68 N -0.95 3.36 -0.03 1.47 2.36 -1.26 -4.57 119.74 120.12 1wft s LYS 68 Ca 0.03 -0.58 0.02 0.00 -2.55 0.00 0.00 55.97 52.89 1wft s LYS 68 Cb 0.03 -2.95 0.10 0.00 -1.05 0.00 0.00 37.83 33.96 1wft s LYS 68 CO 0.00 0.55 0.70 0.25 1.55 0.00 0.00 175.35 178.40 1wft n THR 69 N -0.21 0.43 -4.95 3.43 -2.24 -1.26 -4.76 114.28 104.73 1wft n THR 69 Ca -0.07 -0.18 -0.28 0.00 -2.27 0.00 0.00 64.05 61.26 1wft n THR 69 Cb 0.53 -0.52 -0.16 0.00 -2.10 0.00 0.00 70.33 68.08 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 -0.01 2.45 0.20 3.42 1.04 -1.26 -1.27 113.70 118.26 1wft s SER 70 Ca 0.07 -0.42 0.07 0.00 0.48 0.00 0.00 55.95 56.15 1wft s SER 70 Cb 0.05 -0.87 -0.05 0.00 0.10 0.00 0.00 66.02 65.26 1wft s SER 70 CO 0.02 0.15 -0.12 0.00 0.98 0.00 0.00 173.24 174.26 1wft s THR 72 N -3.06 0.97 -0.16 0.00 2.01 -1.26 -1.34 115.64 112.80 1wft s THR 72 Ca 0.22 -0.43 -0.00 0.00 0.31 0.00 0.00 61.69 61.79 1wft s THR 72 Cb 0.01 -0.87 0.03 0.00 0.01 0.00 0.00 72.50 71.68 1wft s THR 72 CO 0.06 0.30 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.52 1wft s VAL 73 N 0.37 1.31 0.73 3.82 1.01 -1.07 -4.81 120.40 121.75 1wft s VAL 73 Ca -0.07 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 1wft s VAL 73 Cb -0.12 -1.38 0.07 0.00 0.00 0.00 0.00 36.38 34.96 1wft s VAL 73 CO 0.02 0.25 1.04 0.42 0.00 0.00 0.00 175.10 176.82 1wft s THR 74 N 1.56 2.23 0.07 3.92 -4.23 -1.26 -1.93 115.64 116.00 1wft s THR 74 Ca 0.02 -0.26 -0.35 0.00 -1.18 0.00 0.00 61.69 59.92 1wft s THR 74 Cb -0.14 -2.97 -0.18 0.00 1.34 0.00 0.00 72.50 70.54 1wft s THR 74 CO -0.08 0.00 1.53 0.00 -0.54 0.00 0.00 174.62 175.52 1wft h ALA 75 N -0.68 -1.24 -0.99 3.99 0.00 -1.97 -1.11 119.26 117.26 1wft h ALA 75 Ca -0.44 -0.23 0.31 0.00 0.00 0.00 0.00 54.91 54.55 1wft h ALA 75 Cb 1.31 0.60 -0.18 0.00 0.00 0.00 0.00 17.79 19.52 1wft h ALA 75 CO 0.58 -1.21 0.19 0.78 0.00 0.00 0.00 179.25 179.59 1wft h GLY 76 N -1.11 1.56 0.86 0.00 0.00 -1.96 0.49 103.07 102.91 1wft h GLY 76 Ca -0.10 0.06 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 1wft h GLY 76 CO 0.08 -0.60 -0.15 1.46 0.00 0.00 0.00 176.54 177.33 1wft h GLN 77 N 0.01 0.53 -0.90 4.80 1.08 -1.88 -3.12 115.11 115.63 1wft h GLN 77 Ca 0.67 -0.25 0.17 0.00 -1.45 0.00 0.00 58.65 57.80 1wft h GLN 77 Cb 1.53 -0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 28.85 1wft h GLN 77 CO -0.87 0.81 0.48 -0.07 -0.95 0.00 0.00 178.83 178.23 1wft h LEU 78 N 0.24 0.58 -1.07 1.46 3.38 0.13 0.49 115.31 120.50 1wft h LEU 78 Ca 0.05 0.10 0.23 0.00 0.09 0.00 0.00 57.88 58.35 1wft h LEU 78 Cb 0.68 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.32 1wft h LEU 78 CO 0.04 0.20 0.61 0.00 0.09 0.00 0.00 178.44 179.39 1wft h ALA 79 N 1.61 1.83 0.00 1.53 0.00 -1.22 0.79 119.26 123.81 1wft h ALA 79 Ca 0.51 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.50 1wft h ALA 79 Cb 0.79 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1wft h ALA 79 CO -0.39 -0.27 -0.10 -0.91 0.00 0.00 0.00 179.25 177.58 1wft h ASN 80 N 0.60 0.00 -2.13 0.00 2.35 -1.01 -3.44 115.58 111.96 1wft h ASN 80 Ca 0.62 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.80 1wft h ASN 80 Cb 1.18 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.56 1wft h ASN 80 CO -0.42 0.10 1.32 0.00 -1.65 0.00 0.00 177.43 176.78 1wft n ALA 81 N -2.14 1.54 -2.30 -0.83 0.00 0.28 -2.84 120.51 114.22 1wft n ALA 81 Ca 0.01 0.05 -0.43 0.00 0.00 0.00 0.00 53.44 53.07 1wft n ALA 81 Cb 0.42 -2.74 -0.02 0.00 0.00 0.00 0.00 19.45 17.10 1wft n ALA 81 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1wft s HIS 82 N 5.89 2.63 -0.10 0.00 2.46 0.90 -4.88 115.29 122.19 1wft s HIS 82 Ca 0.95 0.79 -0.05 0.00 0.47 0.00 0.00 55.06 57.22 1wft s HIS 82 Cb -0.45 -3.62 -0.04 0.00 -0.13 0.00 0.00 32.58 28.34 1wft s HIS 82 CO 0.41 -2.29 0.08 0.42 -2.47 0.00 0.00 174.74 170.89 1wft s ILE 83 N 3.51 4.98 -0.71 0.89 1.01 -1.26 -4.42 121.20 125.20 1wft s ILE 83 Ca 0.60 -0.01 -0.16 0.00 0.00 0.00 0.00 60.65 61.08 1wft s ILE 83 Cb -0.25 -3.14 0.16 0.00 0.01 0.00 0.00 42.46 39.23 1wft s ILE 83 CO 0.20 0.60 0.72 -0.62 0.00 0.00 0.00 174.94 175.84 1wft s ASP 84 N -1.00 6.46 0.17 3.58 -1.08 -1.26 -4.87 116.67 118.67 1wft s ASP 84 Ca 0.15 -2.08 0.04 0.00 -0.52 0.00 0.00 52.55 50.13 1wft s ASP 84 Cb -0.12 -2.25 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 1wft s ASP 84 CO 0.04 -0.83 1.39 1.88 0.52 0.00 0.00 175.17 178.16 1wft h TYR 85 N 8.53 0.23 -0.60 -5.34 0.05 -1.95 -3.00 116.97 114.88 1wft h TYR 85 Ca -0.09 -0.13 0.05 0.00 0.05 0.00 0.00 58.73 58.62 1wft h TYR 85 Cb 1.07 -0.02 -0.07 0.00 1.01 0.00 0.00 36.73 38.71 1wft h TYR 85 CO 0.92 0.94 -0.35 2.41 -1.05 0.00 0.00 178.16 181.03 1wft n THR 86 N -3.63 -0.41 -0.01 -2.88 -1.04 -1.26 -3.66 114.28 101.38 1wft n THR 86 Ca -0.03 1.76 -0.01 0.00 -2.04 0.00 0.00 64.05 63.74 1wft n THR 86 Cb 0.81 -2.21 -0.00 0.00 -1.82 0.00 0.00 70.33 67.11 1wft n THR 86 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1wft h SER 87 N 0.00 0.00 -3.83 8.00 4.64 -2.01 -3.50 113.55 116.86 1wft h SER 87 Ca 0.10 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.28 1wft h SER 87 Cb 0.25 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.09 1wft h SER 87 CO -0.56 0.10 -0.29 -0.60 -0.87 0.00 0.00 176.83 174.61 1wft s ARG 88 N -1.16 0.42 -0.82 4.77 3.52 -1.14 -5.10 118.95 119.44 1wft s ARG 88 Ca -0.02 0.52 -0.25 0.00 -0.13 0.00 0.00 55.73 55.85 1wft s ARG 88 Cb 0.00 0.19 -0.04 0.00 -1.56 0.00 0.00 34.95 33.54 1wft s ARG 88 CO 0.03 -0.06 1.92 -1.25 -0.81 0.00 0.00 175.30 175.13 1wft s PRO 89 N 0.27 2.58 0.04 5.12 0.04 -1.20 -4.39 135.00 137.47 1wft s PRO 89 Ca -0.01 -0.05 0.01 0.00 0.04 0.00 0.00 61.00 60.99 1wft s PRO 89 Cb -0.03 -4.88 -0.03 0.00 0.04 0.00 0.00 34.50 29.60 1wft s PRO 89 CO -0.00 -3.20 -0.05 0.00 0.04 0.00 0.00 177.00 173.78 1wft s ALA 90 N 9.79 0.46 -0.33 8.56 0.00 -1.26 -3.51 121.76 135.47 1wft s ALA 90 Ca 0.69 -0.83 -0.24 0.00 0.00 0.00 0.00 51.96 51.59 1wft s ALA 90 Cb -0.08 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1wft s ALA 90 CO 0.05 -0.13 0.80 0.42 0.00 0.00 0.00 175.76 176.90 1wft s ILE 91 N -1.98 4.76 -0.58 0.00 1.01 -0.93 -4.00 121.20 119.48 1wft s ILE 91 Ca -0.07 1.11 -0.24 0.00 0.00 0.00 0.00 60.65 61.46 1wft s ILE 91 Cb -0.06 -4.18 0.05 0.00 0.01 0.00 0.00 42.46 38.28 1wft s ILE 91 CO -0.02 -0.32 0.94 -0.69 0.00 0.00 0.00 174.94 174.85 1wft s VAL 92 N 3.04 4.38 0.54 2.92 1.01 -1.26 -2.25 120.40 128.79 1wft s VAL 92 Ca 0.33 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.46 1wft s VAL 92 Cb -0.14 -4.57 0.06 0.00 0.00 0.00 0.00 36.38 31.74 1wft s VAL 92 CO 0.14 -1.20 0.74 -0.36 0.00 0.00 0.00 175.10 174.43 1wft s PHE 93 N 3.94 2.00 -0.16 5.22 0.08 -0.73 -2.69 117.98 125.64 1wft s PHE 93 Ca 0.28 -0.51 -0.09 0.00 0.12 0.00 0.00 56.93 56.73 1wft s PHE 93 Cb -0.14 -2.40 0.06 0.00 -0.57 0.00 0.00 43.02 39.96 1wft s PHE 93 CO 0.16 -0.96 0.39 1.03 -0.10 0.00 0.00 175.22 175.74 1wft s ARG 94 N -4.63 0.37 -0.03 0.44 0.52 -0.49 -3.52 118.95 111.61 1wft s ARG 94 Ca 0.60 0.75 0.02 0.00 -0.52 0.00 0.00 55.73 56.58 1wft s ARG 94 Cb -0.07 -0.04 0.01 0.00 0.52 0.00 0.00 34.95 35.37 1wft s ARG 94 CO 0.38 -0.16 -0.08 0.42 0.02 0.00 0.00 175.30 175.88 1wft s ILE 95 N 1.38 0.69 0.21 1.52 1.01 -1.16 -0.92 121.20 123.92 1wft s ILE 95 Ca -0.09 -0.30 -0.18 0.00 0.00 0.00 0.00 60.65 60.08 1wft s ILE 95 Cb -0.09 -0.63 0.03 0.00 0.01 0.00 0.00 42.46 41.78 1wft s ILE 95 CO -0.12 0.22 0.55 -0.55 0.00 0.00 0.00 174.94 175.04 1wft s SER 96 N 0.29 -0.26 -0.04 3.58 0.15 -1.21 -1.35 113.70 114.87 1wft s SER 96 Ca -0.04 -0.52 0.06 0.00 0.70 0.00 0.00 55.95 56.15 1wft s SER 96 Cb -0.09 0.60 -0.02 0.00 -1.71 0.00 0.00 66.02 64.80 1wft s SER 96 CO 0.00 -1.10 -0.22 0.00 1.20 0.00 0.00 173.24 173.12 1wft s ALA 97 N -3.89 2.31 -0.31 5.45 0.00 -1.26 -3.35 121.76 120.71 1wft s ALA 97 Ca 0.10 -1.06 -0.11 0.00 0.00 0.00 0.00 51.96 50.90 1wft s ALA 97 Cb -0.02 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 1wft s ALA 97 CO -0.01 0.50 0.19 0.21 0.00 0.00 0.00 175.76 176.64 1wft s LYS 98 N -0.49 3.60 0.45 0.00 2.20 -1.23 -1.28 119.74 123.00 1wft s LYS 98 Ca 0.06 -0.55 0.07 0.00 -0.36 0.00 0.00 55.97 55.19 1wft s LYS 98 Cb -0.11 -3.65 -0.01 0.00 -1.51 0.00 0.00 37.83 32.54 1wft s LYS 98 CO 0.01 -0.34 0.34 1.21 -0.36 0.00 0.00 175.35 176.21 1wft s ASN 99 N 1.69 4.78 0.42 1.43 2.47 -0.29 -3.70 114.94 121.74 1wft s ASN 99 Ca 0.06 -0.97 0.31 0.00 0.42 0.00 0.00 52.86 52.68 1wft s ASN 99 Cb -0.17 -0.28 1.42 0.00 -1.45 0.00 0.00 41.25 40.77 1wft s ASN 99 CO 0.09 -0.75 1.49 -0.62 -3.72 0.00 0.00 177.10 173.58 1wft n GLU 100 N -1.53 -0.03 0.03 0.43 -0.58 -1.26 -0.74 120.64 116.96 1wft n GLU 100 Ca 0.01 1.20 -0.03 0.00 -0.42 0.00 0.00 57.16 57.92 1wft n GLU 100 Cb 0.63 -2.35 -0.01 0.00 -0.57 0.00 0.00 31.44 29.14 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 -0.17 0.00 3.49 6.56 -1.98 -3.51 116.57 120.96 1wft h LYS 101 Ca 0.84 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 60.44 1wft h LYS 101 Cb 2.69 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 34.39 1wft h LYS 101 CO -0.45 -0.11 0.00 0.41 -2.06 0.00 0.00 179.45 177.24 1wft n GLY 102 N 1.31 -0.98 3.72 3.86 0.00 0.09 -5.13 105.19 108.05 1wft n GLY 102 Ca -0.02 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 -3.00 3.57 0.00 1.61 2.02 -1.26 -1.14 117.35 119.15 1wft s TYR 103 Ca 0.00 1.53 0.00 0.00 -0.37 0.00 0.00 57.07 58.23 1wft s TYR 103 Cb 0.00 -3.27 0.00 0.00 -0.40 0.00 0.00 41.96 38.29 1wft s TYR 103 CO 0.00 -0.63 0.00 0.41 -1.57 0.00 0.00 175.55 173.76 1wft n GLY 104 N 2.80 -0.18 3.73 0.71 0.00 -0.40 -4.98 105.19 106.86 1wft n GLY 104 Ca 0.06 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 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 0.37 4.36 -0.23 1.61 0.04 -1.26 -4.78 135.00 135.12 1wft s PRO 105 Ca 0.00 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 62.91 1wft s PRO 105 Cb 0.00 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 1wft s PRO 105 CO 0.00 -0.33 0.49 0.00 0.04 0.00 0.00 177.00 177.20 1wft s ALA 106 N 0.59 3.56 0.05 8.56 0.00 -1.26 -4.57 121.76 128.69 1wft s ALA 106 Ca 0.60 -0.52 -0.30 0.00 0.00 0.00 0.00 51.96 51.74 1wft s ALA 106 Cb -0.36 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1wft s ALA 106 CO 0.34 -0.54 1.01 0.99 0.00 0.00 0.00 175.76 177.56 1wft s THR 107 N 1.85 4.60 -0.26 0.00 2.01 -0.45 -4.81 115.64 118.58 1wft s THR 107 Ca 0.21 1.96 -0.13 0.00 0.31 0.00 0.00 61.69 64.04 1wft s THR 107 Cb -0.15 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 1wft s THR 107 CO 0.09 0.20 0.29 -1.58 -0.69 0.00 0.00 174.62 172.94 1wft s GLN 108 N 0.67 4.02 -0.06 4.92 0.74 -1.26 -3.01 119.66 125.69 1wft s GLN 108 Ca 0.51 -0.09 0.04 0.00 0.05 0.00 0.00 55.36 55.87 1wft s GLN 108 Cb -0.23 -3.63 0.00 0.00 1.10 0.00 0.00 33.01 30.25 1wft s GLN 108 CO 0.29 -0.18 -0.16 -1.50 -0.55 0.00 0.00 175.29 173.19 1wft s ILE 109 N 1.77 1.39 -0.29 -2.34 2.07 -1.23 -4.99 121.20 117.57 1wft s ILE 109 Ca 0.12 -0.66 -0.06 0.00 -1.41 0.00 0.00 60.65 58.63 1wft s ILE 109 Cb -0.15 -1.21 0.01 0.00 0.13 0.00 0.00 42.46 41.23 1wft s ILE 109 CO 0.09 0.40 0.07 -0.13 -1.91 0.00 0.00 174.94 173.46 1wft s ARG 110 N 0.27 3.08 -0.47 3.50 0.52 -1.26 -1.78 118.95 122.81 1wft s ARG 110 Ca -0.09 -0.86 -0.12 0.00 -0.52 0.00 0.00 55.73 54.14 1wft s ARG 110 Cb -0.13 -3.33 0.10 0.00 0.52 0.00 0.00 34.95 32.10 1wft s ARG 110 CO 0.03 -0.43 0.37 -0.46 0.02 0.00 0.00 175.30 174.83 1wft s TRP 111 N 1.48 3.32 -0.23 -0.53 -0.00 -0.95 -4.83 118.94 117.20 1wft s TRP 111 Ca 0.02 -1.40 -0.31 0.00 -0.00 0.00 0.00 56.10 54.41 1wft s TRP 111 Cb -0.17 -3.31 -0.08 0.00 -0.00 0.00 0.00 33.47 29.91 1wft s TRP 111 CO 0.02 -0.90 2.17 1.28 -0.00 0.00 0.00 176.95 179.51 1wft n LEU 112 N 5.06 3.02 -4.61 5.86 4.77 -1.26 -2.20 117.00 127.64 1wft n LEU 112 Ca -0.11 0.37 -0.43 0.00 -0.03 0.00 0.00 56.01 55.81 1wft n LEU 112 Cb 0.42 -1.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.03 1wft n LEU 112 CO 0.45 -0.59 1.54 -1.10 -1.33 0.00 0.00 177.39 176.36 1wft s GLN 113 N 6.00 3.51 -0.30 3.23 -1.52 -1.23 -4.91 119.66 124.44 1wft s GLN 113 Ca 1.02 1.69 -0.19 0.00 -1.95 0.00 0.00 55.36 55.93 1wft s GLN 113 Cb -0.52 -4.17 0.21 0.00 -0.22 0.00 0.00 33.01 28.31 1wft s GLN 113 CO 0.41 -1.65 1.34 0.20 -0.25 0.00 0.00 175.29 175.34 1wft s GLY 114 N 5.73 0.55 -0.30 3.09 0.00 -1.26 -5.04 107.32 110.09 1wft s GLY 114 Ca 0.81 3.75 -0.02 0.00 0.00 0.00 0.00 44.72 49.27 1wft s GLY 114 CO 0.33 2.47 0.00 0.21 0.00 0.00 0.00 173.10 176.11 1wft s ASN 115 N 0.66 4.89 -0.02 1.64 2.47 -1.26 -4.98 114.94 118.34 1wft s ASN 115 Ca -0.02 -1.29 -0.21 0.00 0.42 0.00 0.00 52.86 51.75 1wft s ASN 115 Cb -0.03 -1.71 -0.26 0.00 -1.45 0.00 0.00 41.25 37.80 1wft s ASN 115 CO -0.12 -0.26 1.04 0.28 -3.72 0.00 0.00 177.10 174.31 1wft h SER 116 N 7.99 0.48 -3.80 -4.21 0.02 -2.01 -3.45 113.55 108.57 1wft h SER 116 Ca -0.21 -0.81 -0.42 0.00 -0.84 0.00 0.00 61.79 59.51 1wft h SER 116 Cb 1.06 -0.15 -0.31 0.00 0.14 0.00 0.00 62.40 63.14 1wft h SER 116 CO 0.53 1.24 -0.78 -0.75 -1.14 0.00 0.00 176.83 175.93 1wft s LYS 117 N -2.99 0.93 0.32 3.45 2.20 -1.26 -5.03 119.74 117.36 1wft s LYS 117 Ca -0.14 -0.29 0.06 0.00 -0.36 0.00 0.00 55.97 55.25 1wft s LYS 117 Cb 0.03 -0.87 0.89 0.00 -1.51 0.00 0.00 37.83 36.36 1wft s LYS 117 CO 0.82 0.10 1.59 1.03 -0.36 0.00 0.00 175.35 178.53 1wft h SER 118 N 6.40 -0.18 -0.25 1.43 0.87 -2.03 -3.44 113.55 116.35 1wft h SER 118 Ca -0.33 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1wft h SER 118 Cb 1.17 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 63.52 1wft h SER 118 CO 0.49 -0.33 0.00 0.61 -0.53 0.00 0.00 176.83 177.07 1wft n GLY 119 N -1.41 3.77 3.60 5.77 0.00 -1.26 -5.10 105.19 110.56 1wft n GLY 119 Ca 0.26 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.95 3.46 0.86 1.61 0.04 -1.26 -5.00 135.00 132.75 1wft s PRO 120 Ca 0.00 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.27 1wft s PRO 120 Cb 0.00 -4.13 0.11 0.00 0.04 0.00 0.00 34.50 30.51 1wft s PRO 120 CO 0.00 -1.71 1.13 -1.12 0.04 0.00 0.00 177.00 175.34 1wft s SER 121 N 5.33 4.00 -0.85 6.66 0.01 -1.26 -4.97 113.70 122.62 1wft s SER 121 Ca 0.74 1.05 -0.21 0.00 1.31 0.00 0.00 55.95 58.84 1wft s SER 121 Cb -0.21 -1.67 0.10 0.00 0.21 0.00 0.00 66.02 64.45 1wft s SER 121 CO 0.33 -2.25 1.12 -0.44 0.41 0.00 0.00 173.24 172.42 1wft s SER 122 N -4.08 6.45 0.00 2.44 0.01 -1.26 -5.31 113.70 111.95 1wft s SER 122 Ca 0.62 -1.58 0.27 0.00 1.31 0.00 0.00 55.95 56.58 1wft s SER 122 Cb -0.14 -2.43 0.80 0.00 0.21 0.00 0.00 66.02 64.46 1wft s SER 122 CO 0.53 -1.27 1.60 0.61 0.41 0.00 0.00 173.24 175.12