#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 6.42 -4.56 1.61 7.64 -1.26 -4.89 113.62 118.59 1wft n SER 2 Ca 0.00 -3.06 -0.32 0.00 1.01 0.00 0.00 58.87 56.50 1wft n SER 2 Cb 0.00 -1.10 -0.04 0.00 -1.01 0.00 0.00 64.21 62.05 1wft n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wft s SER 3 N 0.30 5.40 0.00 6.43 0.01 -1.26 -4.57 113.70 120.01 1wft s SER 3 Ca 0.37 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.05 1wft s SER 3 Cb 0.27 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.94 1wft s SER 3 CO -0.05 -2.46 0.00 0.61 0.41 0.00 0.00 173.24 171.75 1wft n GLY 4 N 6.57 0.00 1.74 3.44 0.00 -1.26 -4.76 105.19 110.92 1wft n GLY 4 Ca 0.34 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.30 1wft n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wft n SER 5 N -2.68 5.24 -0.05 1.61 3.41 -1.26 -4.35 113.62 115.55 1wft n SER 5 Ca 0.00 -2.43 -0.14 0.00 -0.26 0.00 0.00 58.87 56.04 1wft n SER 5 Cb 0.44 -1.26 -0.08 0.00 -0.26 0.00 0.00 64.21 63.06 1wft n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1wft h SER 6 N 1.99 0.44 -2.85 4.04 0.87 -1.95 -3.50 113.55 112.57 1wft h SER 6 Ca 0.09 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1wft h SER 6 Cb 1.24 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1wft h SER 6 CO 0.11 0.90 0.00 0.61 -0.53 0.00 0.00 176.83 177.93 1wft n GLY 7 N 0.41 0.79 0.00 5.77 0.00 -1.26 -4.72 105.19 106.18 1wft n GLY 7 Ca -0.07 -1.54 0.08 0.00 0.00 0.00 0.00 46.02 44.49 1wft n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wft n PRO 8 N 1.12 0.33 -0.99 1.61 -0.04 -1.26 -4.87 135.00 130.91 1wft n PRO 8 Ca 0.00 0.08 0.03 0.00 -0.04 0.00 0.00 63.50 63.58 1wft n PRO 8 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 1wft n PRO 8 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wft n GLY 9 N -0.02 -3.48 3.87 0.55 0.00 -1.26 -4.79 105.19 100.06 1wft n GLY 9 Ca 0.09 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 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 -4.61 3.42 0.62 4.61 0.00 -1.26 -4.45 121.76 120.10 1wft s ALA 10 Ca 0.00 -0.19 -0.16 0.00 0.00 0.00 0.00 51.96 51.61 1wft s ALA 10 Cb 0.00 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 1wft s ALA 10 CO 0.00 0.24 1.12 -1.25 0.00 0.00 0.00 175.76 175.86 1wft s PRO 11 N -3.33 2.97 0.09 0.00 0.04 -1.26 -4.52 135.00 128.99 1wft s PRO 11 Ca 0.50 1.46 0.02 0.00 0.04 0.00 0.00 61.00 63.02 1wft s PRO 11 Cb -0.10 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1wft s PRO 11 CO 0.25 -1.13 -0.07 -1.12 0.04 0.00 0.00 177.00 174.97 1wft s SER 12 N -2.34 1.11 -0.62 6.66 0.01 -1.12 -4.88 113.70 112.51 1wft s SER 12 Ca 0.69 -0.96 -0.02 0.00 1.31 0.00 0.00 55.95 56.97 1wft s SER 12 Cb -0.21 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.11 1wft s SER 12 CO 0.37 -0.44 0.53 0.41 0.41 0.00 0.00 173.24 174.53 1wft n THR 13 N 0.12 -2.20 -2.43 1.44 -1.04 -1.26 -3.14 114.28 105.77 1wft n THR 13 Ca -0.13 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.05 61.33 1wft n THR 13 Cb 0.60 -3.23 -0.03 0.00 -1.82 0.00 0.00 70.33 65.85 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 -3.17 4.01 -0.04 12.58 1.01 -1.26 -4.17 120.40 129.35 1wft s VAL 14 Ca 0.14 1.47 0.02 0.00 0.00 0.00 0.00 61.98 63.60 1wft s VAL 14 Cb -0.06 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.39 1wft s VAL 14 CO 0.36 0.13 -0.08 -0.13 0.00 0.00 0.00 175.10 175.38 1wft s ARG 15 N 0.91 1.09 -0.10 2.72 0.52 -0.91 -4.99 118.95 118.19 1wft s ARG 15 Ca 0.58 -0.24 0.01 0.00 -0.52 0.00 0.00 55.73 55.56 1wft s ARG 15 Cb -0.30 -0.99 -0.02 0.00 0.52 0.00 0.00 34.95 34.16 1wft s ARG 15 CO 0.30 -0.00 -0.14 0.42 0.02 0.00 0.00 175.30 175.90 1wft s ILE 16 N 0.65 2.99 -0.10 1.52 1.01 -1.26 -2.30 121.20 123.71 1wft s ILE 16 Ca -0.10 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 59.87 1wft s ILE 16 Cb -0.13 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.12 1wft s ILE 16 CO 0.01 0.55 -0.18 -0.44 0.00 0.00 0.00 174.94 174.87 1wft s SER 17 N 0.04 2.62 0.07 3.58 0.01 -0.69 -5.02 113.70 114.31 1wft s SER 17 Ca -0.05 -0.47 -0.31 0.00 1.31 0.00 0.00 55.95 56.43 1wft s SER 17 Cb -0.14 -1.19 -0.08 0.00 0.21 0.00 0.00 66.02 64.82 1wft s SER 17 CO 0.04 0.07 1.50 -0.75 0.41 0.00 0.00 173.24 174.51 1wft s LYS 18 N 0.71 4.26 0.02 12.44 2.20 -1.26 -1.59 119.74 136.52 1wft s LYS 18 Ca -0.12 2.16 0.04 0.00 -0.36 0.00 0.00 55.97 57.69 1wft s LYS 18 Cb -0.16 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 1wft s LYS 18 CO 0.02 -0.59 -0.09 1.21 -0.36 0.00 0.00 175.35 175.55 1wft s ASN 19 N 1.73 4.47 0.29 1.43 3.84 0.41 -4.89 114.94 122.23 1wft s ASN 19 Ca 0.68 -0.22 0.04 0.00 0.21 0.00 0.00 52.86 53.57 1wft s ASN 19 Cb -0.37 -0.97 0.69 0.00 -0.55 0.00 0.00 41.25 40.05 1wft s ASN 19 CO 0.30 0.26 1.77 0.58 -2.79 0.00 0.00 177.10 177.22 1wft h VAL 20 N 3.69 0.71 0.00 -5.21 2.07 -2.00 0.21 116.25 115.73 1wft h VAL 20 Ca -0.48 -0.25 -0.13 0.00 0.82 0.00 0.00 66.70 66.65 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 0.53 0.14 -0.62 -0.78 0.02 0.00 0.00 177.57 176.86 1wft h ASP 21 N 0.74 0.00 0.00 0.57 3.58 -1.99 -3.49 116.42 115.83 1wft h ASP 21 Ca 0.56 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.01 1wft h ASP 21 Cb 0.84 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.89 1wft h ASP 21 CO -0.38 0.62 0.00 0.61 -2.88 0.00 0.00 179.24 177.21 1wft n GLY 22 N 0.27 -0.28 3.37 -0.78 0.00 0.73 -4.63 105.19 103.86 1wft n GLY 22 Ca -0.01 0.40 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 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 2.35 -0.33 -0.61 1.01 0.20 -0.44 121.20 123.38 1wft s ILE 23 Ca 0.00 -1.10 0.02 0.00 0.00 0.00 0.00 60.65 59.57 1wft s ILE 23 Cb 0.00 -1.88 0.09 0.00 0.01 0.00 0.00 42.46 40.68 1wft s ILE 23 CO 0.00 0.51 0.04 -2.28 0.00 0.00 0.00 174.94 173.21 1wft s HIS 24 N -0.71 3.60 0.14 3.97 5.65 -0.62 -1.09 115.29 126.22 1wft s HIS 24 Ca 0.11 -2.67 -0.20 0.00 0.25 0.00 0.00 55.06 52.55 1wft s HIS 24 Cb -0.10 -2.72 -0.07 0.00 -1.18 0.00 0.00 32.58 28.51 1wft s HIS 24 CO 0.01 -0.93 0.65 -1.17 -0.65 0.00 0.00 174.74 172.65 1wft s LEU 25 N 1.01 4.48 0.13 8.88 2.96 0.19 -1.70 118.68 134.63 1wft s LEU 25 Ca 0.05 1.37 -0.12 0.00 -0.22 0.00 0.00 54.13 55.21 1wft s LEU 25 Cb -0.20 -3.19 0.01 0.00 0.50 0.00 0.00 46.19 43.31 1wft s LEU 25 CO -0.06 0.19 0.31 -0.55 -1.32 0.00 0.00 176.35 174.92 1wft s SER 26 N -1.31 -0.05 0.08 3.68 0.15 -0.97 0.16 113.70 115.44 1wft s SER 26 Ca 0.35 -0.57 -0.27 0.00 0.70 0.00 0.00 55.95 56.16 1wft s SER 26 Cb -0.19 0.43 0.09 0.00 -1.71 0.00 0.00 66.02 64.64 1wft s SER 26 CO 0.21 -0.84 1.12 -1.66 1.20 0.00 0.00 173.24 173.27 1wft s TRP 27 N -3.86 -0.06 0.12 3.44 -2.14 -0.40 -2.13 118.94 113.90 1wft s TRP 27 Ca 0.07 -0.16 0.10 0.00 2.66 0.00 0.00 56.10 58.76 1wft s TRP 27 Cb 0.03 0.61 -0.04 0.00 -3.10 0.00 0.00 33.47 30.96 1wft s TRP 27 CO -0.08 -0.59 -0.21 -1.21 -2.66 0.00 0.00 176.95 172.20 1wft s GLU 28 N -2.74 1.66 0.77 3.25 0.41 -1.19 -4.80 118.70 116.08 1wft s GLU 28 Ca 0.15 -1.23 -0.11 0.00 -0.41 0.00 0.00 54.97 53.37 1wft s GLU 28 Cb 0.01 -2.05 0.06 0.00 -1.78 0.00 0.00 34.13 30.37 1wft s GLU 28 CO 0.00 0.47 1.09 -1.25 -0.49 0.00 0.00 175.26 175.08 1wft s PRO 29 N -2.11 2.25 0.76 0.39 0.04 -1.26 -2.81 135.00 132.25 1wft s PRO 29 Ca 0.17 1.17 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 1wft s PRO 29 Cb -0.10 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.59 1wft s PRO 29 CO 0.09 -1.65 1.09 -1.25 0.04 0.00 0.00 177.00 175.32 1wft s PRO 30 N -4.89 2.32 0.05 0.56 0.04 -1.26 -4.64 135.00 127.18 1wft s PRO 30 Ca 0.61 1.20 -0.02 0.00 0.04 0.00 0.00 61.00 62.83 1wft s PRO 30 Cb -0.17 -1.90 -0.27 0.00 0.04 0.00 0.00 34.50 32.19 1wft s PRO 30 CO 0.56 -1.60 1.05 0.00 0.04 0.00 0.00 177.00 177.06 1wft h THR 31 N -0.98 1.40 -1.46 1.26 1.03 -1.94 -3.47 112.91 108.73 1wft h THR 31 Ca -0.44 -3.01 -0.60 0.00 -0.01 0.00 0.00 66.41 62.35 1wft h THR 31 Cb 1.23 2.87 0.14 0.00 -1.07 0.00 0.00 68.15 71.32 1wft h THR 31 CO 0.52 0.87 -0.82 -0.24 -0.01 0.00 0.00 175.52 175.83 1wft n SER 32 N -3.48 -2.42 0.00 0.00 2.88 -1.26 -4.73 113.62 104.61 1wft n SER 32 Ca -0.10 0.83 0.01 0.00 -1.33 0.00 0.00 58.87 58.28 1wft n SER 32 Cb 1.02 -0.85 0.06 0.00 -0.75 0.00 0.00 64.21 63.69 1wft n SER 32 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1wft n PRO 33 N 1.21 0.49 -1.49 -1.46 -0.04 -1.26 -4.71 135.00 127.73 1wft n PRO 33 Ca 0.12 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.46 1wft n PRO 33 Cb 0.35 -1.06 -0.10 0.00 -0.04 0.00 0.00 33.50 32.65 1wft n PRO 33 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wft n SER 34 N -0.56 0.84 -2.09 3.54 2.88 -1.26 -4.73 113.62 112.24 1wft n SER 34 Ca 0.01 -1.94 -0.20 0.00 -1.33 0.00 0.00 58.87 55.41 1wft n SER 34 Cb 0.01 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 61.98 1wft n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wft n GLY 35 N 6.07 4.16 1.00 0.46 0.00 -1.26 -4.06 105.19 111.56 1wft n GLY 35 Ca 0.39 -1.36 0.05 0.00 0.00 0.00 0.00 46.02 45.10 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 0.57 1.25 -4.48 1.61 3.02 -1.26 -5.00 115.26 110.96 1wft n ASN 36 Ca 0.37 -2.74 -0.43 0.00 -0.03 0.00 0.00 54.58 51.74 1wft n ASN 36 Cb 0.58 -0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 39.34 1wft n ASN 36 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wft s ILE 37 N -1.33 4.44 0.03 2.41 1.01 -1.26 -4.25 121.20 122.26 1wft s ILE 37 Ca 0.32 -1.16 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 1wft s ILE 37 Cb 0.34 -4.84 -0.05 0.00 0.01 0.00 0.00 42.46 37.91 1wft s ILE 37 CO -0.11 -1.62 1.19 -0.07 0.00 0.00 0.00 174.94 174.33 1wft h LEU 38 N 11.22 -0.51 -8.13 2.97 3.38 -1.91 -3.47 115.31 118.86 1wft h LEU 38 Ca 0.10 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1wft h LEU 38 Cb 1.03 0.18 -0.12 0.00 0.09 0.00 0.00 40.66 41.84 1wft h LEU 38 CO 1.20 -0.21 -0.26 -1.61 0.09 0.00 0.00 178.44 177.65 1wft s GLU 39 N -3.94 1.28 0.33 1.13 8.01 -1.26 -4.92 118.70 119.33 1wft s GLU 39 Ca -0.06 -1.20 0.07 0.00 0.01 0.00 0.00 54.97 53.79 1wft s GLU 39 Cb 0.02 0.40 -0.02 0.00 -4.31 0.00 0.00 34.13 30.22 1wft s GLU 39 CO 0.20 -0.49 0.35 0.71 0.01 0.00 0.00 175.26 176.04 1wft s TYR 40 N -3.99 3.00 0.00 1.61 2.02 -1.20 -2.49 117.35 116.30 1wft s TYR 40 Ca 0.20 -0.26 -0.06 0.00 -0.37 0.00 0.00 57.07 56.58 1wft s TYR 40 Cb 0.02 -1.84 -0.00 0.00 -0.40 0.00 0.00 41.96 39.74 1wft s TYR 40 CO 0.03 0.14 0.11 0.45 -1.57 0.00 0.00 175.55 174.71 1wft s SER 41 N -4.05 0.04 -0.16 2.29 0.15 -1.16 -2.08 113.70 108.73 1wft s SER 41 Ca 0.42 -0.21 -0.00 0.00 0.70 0.00 0.00 55.95 56.85 1wft s SER 41 Cb -0.07 0.20 0.04 0.00 -1.71 0.00 0.00 66.02 64.47 1wft s SER 41 CO 0.28 -0.33 -0.07 0.00 1.20 0.00 0.00 173.24 174.33 1wft s ALA 42 N -1.26 1.55 -0.01 5.45 0.00 -0.84 -3.23 121.76 123.42 1wft s ALA 42 Ca -0.14 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 1wft s ALA 42 Cb -0.07 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 1wft s ALA 42 CO 0.01 -0.73 0.11 0.71 0.00 0.00 0.00 175.76 175.86 1wft s TYR 43 N 1.60 3.37 -0.16 0.00 1.51 -0.58 -1.80 117.35 121.29 1wft s TYR 43 Ca 0.01 0.25 -0.01 0.00 -1.01 0.00 0.00 57.07 56.32 1wft s TYR 43 Cb -0.15 -1.77 0.04 0.00 -0.11 0.00 0.00 41.96 39.98 1wft s TYR 43 CO -0.08 0.58 -0.05 -1.17 -1.11 0.00 0.00 175.55 173.73 1wft s LEU 44 N -1.80 1.47 0.25 -1.29 2.96 0.40 -2.04 118.68 118.62 1wft s LEU 44 Ca 0.24 -0.60 -0.31 0.00 -0.22 0.00 0.00 54.13 53.25 1wft s LEU 44 Cb -0.12 -0.85 -0.13 0.00 0.50 0.00 0.00 46.19 45.58 1wft s LEU 44 CO 0.15 -0.19 1.42 0.00 -1.32 0.00 0.00 176.35 176.42 1wft n ALA 45 N 4.91 1.31 -2.44 5.97 0.00 -1.26 -2.96 120.51 126.04 1wft n ALA 45 Ca -0.11 0.40 -0.26 0.00 0.00 0.00 0.00 53.44 53.47 1wft n ALA 45 Cb 0.48 -2.30 -0.12 0.00 0.00 0.00 0.00 19.45 17.51 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 -0.12 2.12 0.73 0.00 -0.00 -1.25 -2.71 121.20 119.96 1wft s ILE 46 Ca 0.67 -1.82 -0.14 0.00 -0.00 0.00 0.00 60.65 59.35 1wft s ILE 46 Cb -0.62 -1.93 0.04 0.00 -0.00 0.00 0.00 42.46 39.95 1wft s ILE 46 CO 0.50 -0.06 1.17 0.00 -0.00 0.00 0.00 174.94 176.56 1wft s ARG 47 N -2.32 2.21 0.04 0.37 1.04 -0.69 -4.76 118.95 114.84 1wft s ARG 47 Ca 0.15 1.63 0.04 0.00 -1.04 0.00 0.00 55.73 56.50 1wft s ARG 47 Cb -0.09 -1.86 -0.02 0.00 -2.04 0.00 0.00 34.95 30.95 1wft s ARG 47 CO 0.07 -1.75 -0.11 -0.08 -0.04 0.00 0.00 175.30 173.39 1wft s THR 48 N -2.16 0.81 -1.06 4.99 -1.32 -1.26 -5.04 115.64 110.61 1wft s THR 48 Ca 0.71 -0.98 -0.20 0.00 -1.21 0.00 0.00 61.69 60.02 1wft s THR 48 Cb -0.26 -0.79 0.09 0.00 -1.51 0.00 0.00 72.50 70.03 1wft s THR 48 CO 0.46 -0.16 1.41 0.00 -2.21 0.00 0.00 174.62 174.12 1wft s ALA 49 N -1.01 3.10 0.06 11.08 0.00 -1.26 -4.94 121.76 128.78 1wft s ALA 49 Ca -0.03 -2.60 -0.02 0.00 0.00 0.00 0.00 51.96 49.30 1wft s ALA 49 Cb -0.08 -4.39 -0.03 0.00 0.00 0.00 0.00 23.12 18.62 1wft s ALA 49 CO 0.01 -3.32 0.01 -0.65 0.00 0.00 0.00 175.76 171.81 1wft s GLN 50 N 3.95 0.65 -0.07 0.00 -1.52 -1.26 -5.07 119.66 116.34 1wft s GLN 50 Ca 0.44 -1.17 0.00 0.00 -1.95 0.00 0.00 55.36 52.68 1wft s GLN 50 Cb -0.01 0.24 -0.04 0.00 -0.22 0.00 0.00 33.01 32.97 1wft s GLN 50 CO -0.06 -0.14 -0.06 0.00 -0.25 0.00 0.00 175.29 174.78 1wft n MET 51 N 0.09 0.17 -1.98 2.91 0.00 -1.26 -5.00 117.12 112.05 1wft n MET 51 Ca -0.14 0.04 -0.42 0.00 0.00 0.00 0.00 57.70 57.18 1wft n MET 51 Cb 0.61 -1.11 -0.03 0.00 0.00 0.00 0.00 33.22 32.70 1wft n MET 51 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1wft s GLN 52 N -2.14 4.21 -0.59 3.17 -0.21 -1.26 -4.84 119.66 118.01 1wft s GLN 52 Ca -0.09 2.28 -0.34 0.00 0.02 0.00 0.00 55.36 57.23 1wft s GLN 52 Cb 0.02 -3.54 -0.15 0.00 1.00 0.00 0.00 33.01 30.35 1wft s GLN 52 CO 0.16 -0.69 2.37 -0.40 -2.12 0.00 0.00 175.29 174.61 1wft n ASP 53 N 5.34 1.40 -4.72 5.90 5.75 -1.26 -4.86 116.55 124.10 1wft n ASP 53 Ca 0.15 0.22 -0.38 0.00 -0.01 0.00 0.00 54.79 54.77 1wft n ASP 53 Cb 0.41 -1.16 0.05 0.00 -1.03 0.00 0.00 41.12 39.39 1wft n ASP 53 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1wft n ASN 54 N 10.79 2.25 -2.79 -1.12 3.02 -1.26 -5.01 115.26 121.14 1wft n ASN 54 Ca 0.50 0.91 0.00 0.00 -0.03 0.00 0.00 54.58 55.96 1wft n ASN 54 Cb 0.19 -1.55 0.00 0.00 -0.61 0.00 0.00 39.78 37.81 1wft n ASN 54 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1wft n PRO 55 N -1.33 -0.46 -0.78 3.52 -0.04 -1.26 -4.83 135.00 129.82 1wft n PRO 55 Ca 0.13 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.52 1wft n PRO 55 Cb 0.46 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.83 1wft n PRO 55 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wft n SER 56 N -2.17 5.28 -4.29 3.54 7.64 -1.26 -4.83 113.62 117.54 1wft n SER 56 Ca 0.00 -2.45 -0.23 0.00 1.01 0.00 0.00 58.87 57.20 1wft n SER 56 Cb 0.00 -1.29 -0.12 0.00 -1.01 0.00 0.00 64.21 61.79 1wft n SER 56 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1wft s GLN 57 N 0.56 1.14 -0.22 1.43 1.11 -1.26 -5.13 119.66 117.29 1wft s GLN 57 Ca 0.37 -1.20 -0.04 0.00 0.01 0.00 0.00 55.36 54.50 1wft s GLN 57 Cb 0.18 -1.36 0.10 0.00 -1.01 0.00 0.00 33.01 30.92 1wft s GLN 57 CO 0.00 0.31 0.26 -0.51 0.01 0.00 0.00 175.29 175.36 1wft s LEU 58 N -2.05 -0.25 0.16 2.90 1.43 -1.26 -5.07 118.68 114.54 1wft s LEU 58 Ca 0.08 -0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 52.77 1wft s LEU 58 Cb -0.09 0.58 -0.07 0.00 0.03 0.00 0.00 46.19 46.64 1wft s LEU 58 CO 0.05 -0.32 0.95 -0.69 0.23 0.00 0.00 176.35 176.57 1wft s VAL 59 N 2.38 4.35 -0.01 -1.59 1.01 -1.26 -5.02 120.40 120.25 1wft s VAL 59 Ca 0.08 2.08 0.07 0.00 0.00 0.00 0.00 61.98 64.22 1wft s VAL 59 Cb -0.16 -4.33 -0.02 0.00 0.00 0.00 0.00 36.38 31.87 1wft s VAL 59 CO -0.13 0.38 -0.23 -0.36 0.00 0.00 0.00 175.10 174.76 1wft s PHE 60 N -0.42 2.42 0.01 5.22 0.40 -1.26 -3.91 117.98 120.43 1wft s PHE 60 Ca 0.45 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.42 1wft s PHE 60 Cb -0.24 -1.51 -0.04 0.00 0.51 0.00 0.00 43.02 41.74 1wft s PHE 60 CO 0.31 0.04 0.04 0.00 0.70 0.00 0.00 175.22 176.30 1wft s MET 61 N -0.76 2.88 -0.13 0.44 0.23 -1.16 -4.78 119.30 116.03 1wft s MET 61 Ca 0.11 -0.58 -0.29 0.00 -1.03 0.00 0.00 55.69 53.89 1wft s MET 61 Cb -0.10 -2.74 -0.02 0.00 -1.53 0.00 0.00 34.83 30.44 1wft s MET 61 CO 0.00 0.63 1.35 0.50 -2.03 0.00 0.00 175.02 175.46 1wft s ARG 62 N -1.71 4.23 -0.16 3.16 3.52 -1.26 -0.46 118.95 126.27 1wft s ARG 62 Ca 0.22 1.78 0.04 0.00 -0.13 0.00 0.00 55.73 57.63 1wft s ARG 62 Cb -0.12 -3.80 -0.12 0.00 -1.56 0.00 0.00 34.95 29.35 1wft s ARG 62 CO 0.13 -0.72 -0.10 0.44 -0.81 0.00 0.00 175.30 174.23 1wft n ILE 63 N 5.35 0.93 -4.57 4.11 -5.35 -0.74 -4.96 119.36 114.13 1wft n ILE 63 Ca 0.14 -0.40 -0.22 0.00 -0.27 0.00 0.00 62.75 62.00 1wft n ILE 63 Cb 0.44 -0.99 -0.15 0.00 -1.74 0.00 0.00 39.64 37.20 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 -2.33 1.20 -0.25 4.28 6.14 -1.20 -5.05 117.35 120.14 1wft s TYR 64 Ca -0.19 -0.27 -0.00 0.00 0.64 0.00 0.00 57.07 57.24 1wft s TYR 64 Cb 0.05 -0.80 0.07 0.00 0.42 0.00 0.00 41.96 41.70 1wft s TYR 64 CO 0.41 -0.07 0.01 0.00 0.64 0.00 0.00 175.55 176.54 1wft n GLY 66 N 4.78 0.86 1.50 0.00 0.00 -0.88 -5.00 105.19 106.45 1wft n GLY 66 Ca -0.08 -0.64 0.01 0.00 0.00 0.00 0.00 46.02 45.31 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 4.39 0.00 0.99 -0.00 -1.26 -3.26 117.00 117.86 1wft n LEU 67 Ca 0.00 -2.25 0.03 0.00 -0.00 0.00 0.00 56.01 53.79 1wft n LEU 67 Cb 0.00 -0.64 0.20 0.00 -0.00 0.00 0.00 43.42 42.98 1wft n LEU 67 CO 0.00 0.57 0.53 1.17 -0.00 0.00 0.00 177.39 179.66 1wft n LYS 68 N 0.23 0.78 -2.07 1.47 3.00 -1.26 -4.83 118.16 115.48 1wft n LYS 68 Ca 0.22 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.49 1wft n LYS 68 Cb 0.95 -1.14 -0.01 0.00 0.00 0.00 0.00 35.03 34.84 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 -0.64 -0.13 -3.49 3.15 -2.24 -1.26 -4.83 114.28 104.85 1wft n THR 69 Ca 0.05 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.69 1wft n THR 69 Cb 0.02 -0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 67.70 1wft n THR 69 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wft s SER 70 N -1.81 -0.58 0.22 3.42 0.01 -1.26 -1.28 113.70 112.43 1wft s SER 70 Ca 0.00 0.29 -0.05 0.00 1.31 0.00 0.00 55.95 57.50 1wft s SER 70 Cb 0.00 0.56 -0.03 0.00 0.21 0.00 0.00 66.02 66.76 1wft s SER 70 CO 0.00 -0.79 0.25 0.00 0.41 0.00 0.00 173.24 173.11 1wft s THR 72 N -4.11 0.35 -0.14 0.00 2.01 -1.26 0.54 115.64 113.03 1wft s THR 72 Ca 0.33 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.41 1wft s THR 72 Cb 0.04 -0.47 0.02 0.00 0.01 0.00 0.00 72.50 72.10 1wft s THR 72 CO 0.11 0.23 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.42 1wft s VAL 73 N 1.58 1.60 0.51 3.82 1.01 -0.25 -4.94 120.40 123.74 1wft s VAL 73 Ca -0.01 -0.67 0.09 0.00 0.00 0.00 0.00 61.98 61.39 1wft s VAL 73 Cb -0.13 -1.49 0.05 0.00 0.00 0.00 0.00 36.38 34.81 1wft s VAL 73 CO -0.03 0.46 0.64 0.42 0.00 0.00 0.00 175.10 176.59 1wft s THR 74 N 1.34 2.40 0.17 3.92 -4.23 -1.26 0.63 115.64 118.61 1wft s THR 74 Ca 0.02 -1.09 -0.22 0.00 -1.18 0.00 0.00 61.69 59.22 1wft s THR 74 Cb -0.13 -2.49 0.08 0.00 1.34 0.00 0.00 72.50 71.30 1wft s THR 74 CO -0.08 0.00 1.59 0.00 -0.54 0.00 0.00 174.62 175.59 1wft h ALA 75 N 0.47 -0.14 -0.62 3.99 0.00 -1.97 0.10 119.26 121.09 1wft h ALA 75 Ca -0.35 0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.74 1wft h ALA 75 Cb 1.29 0.75 -0.07 0.00 0.00 0.00 0.00 17.79 19.75 1wft h ALA 75 CO 0.46 -0.71 -0.36 0.41 0.00 0.00 0.00 179.25 179.04 1wft n GLY 76 N -1.42 -2.29 0.15 0.00 0.00 -1.26 -0.31 105.19 100.06 1wft n GLY 76 Ca 0.02 0.86 -0.12 0.00 0.00 0.00 0.00 46.02 46.79 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 0.44 -0.87 1.61 1.08 -1.83 -3.10 115.11 112.44 1wft h GLN 77 Ca 0.10 -0.16 0.23 0.00 -1.45 0.00 0.00 58.65 57.37 1wft h GLN 77 Cb 0.25 -0.03 -0.15 0.00 -0.05 0.00 0.00 27.48 27.50 1wft h GLN 77 CO -0.58 0.65 0.17 -0.07 -0.95 0.00 0.00 178.83 178.05 1wft h LEU 78 N 0.19 -0.12 -1.05 1.46 3.38 0.12 0.48 115.31 119.78 1wft h LEU 78 Ca 0.06 0.21 0.26 0.00 0.09 0.00 0.00 57.88 58.50 1wft h LEU 78 Cb 0.47 0.31 -0.12 0.00 0.09 0.00 0.00 40.66 41.40 1wft h LEU 78 CO 0.02 -0.19 0.60 0.00 0.09 0.00 0.00 178.44 178.96 1wft h ALA 79 N 1.80 1.87 0.00 1.53 0.00 -0.58 0.65 119.26 124.54 1wft h ALA 79 Ca 0.54 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.46 1wft h ALA 79 Cb 1.08 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1wft h ALA 79 CO -0.70 -0.36 -0.55 -0.91 0.00 0.00 0.00 179.25 176.73 1wft h ASN 80 N 0.52 0.00 -3.61 0.00 2.35 -0.17 -3.44 115.58 111.23 1wft h ASN 80 Ca 0.65 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.89 1wft h ASN 80 Cb 1.33 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.73 1wft h ASN 80 CO -0.47 0.55 0.58 0.00 -1.65 0.00 0.00 177.43 176.44 1wft s ALA 81 N -3.60 3.47 0.34 -0.83 0.00 0.23 -1.71 121.76 119.66 1wft s ALA 81 Ca -0.01 1.05 -0.23 0.00 0.00 0.00 0.00 51.96 52.77 1wft s ALA 81 Cb 0.12 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 1wft s ALA 81 CO 0.74 -0.42 0.91 -3.38 0.00 0.00 0.00 175.76 173.60 1wft s HIS 82 N -0.48 3.56 -0.38 0.00 -3.43 -1.10 -4.76 115.29 108.69 1wft s HIS 82 Ca 0.51 1.65 -0.07 0.00 -0.80 0.00 0.00 55.06 56.35 1wft s HIS 82 Cb -0.35 -2.84 0.07 0.00 -1.43 0.00 0.00 32.58 28.03 1wft s HIS 82 CO 0.41 0.13 0.19 0.42 -2.00 0.00 0.00 174.74 173.89 1wft s ILE 83 N -1.79 3.94 -0.73 -5.38 -1.09 -1.26 -4.49 121.20 110.39 1wft s ILE 83 Ca 0.53 -1.36 -0.26 0.00 -2.23 0.00 0.00 60.65 57.33 1wft s ILE 83 Cb -0.15 -3.37 -0.00 0.00 -1.58 0.00 0.00 42.46 37.36 1wft s ILE 83 CO 0.20 -0.39 1.64 -1.81 -1.23 0.00 0.00 174.94 173.35 1wft s ASP 84 N 1.79 5.67 -0.05 3.58 1.11 -1.14 -4.82 116.67 122.81 1wft s ASP 84 Ca 0.02 -0.24 0.03 0.00 0.18 0.00 0.00 52.55 52.53 1wft s ASP 84 Cb -0.22 -2.55 0.16 0.00 1.07 0.00 0.00 42.92 41.39 1wft s ASP 84 CO 0.02 -2.16 0.79 -1.22 1.18 0.00 0.00 175.17 173.77 1wft n TYR 85 N 11.41 0.43 -1.40 4.23 4.01 -1.26 -3.40 117.16 131.17 1wft n TYR 85 Ca 0.19 -0.20 -0.18 0.00 -0.16 0.00 0.00 57.90 57.55 1wft n TYR 85 Cb 0.50 -0.20 -0.11 0.00 -0.31 0.00 0.00 39.34 39.22 1wft n TYR 85 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1wft n THR 86 N 0.13 0.00 -1.93 -0.72 -1.04 -1.26 -3.26 114.28 106.20 1wft n THR 86 Ca 0.06 -0.02 -0.14 0.00 -2.04 0.00 0.00 64.05 61.91 1wft n THR 86 Cb 0.46 -1.91 -0.03 0.00 -1.82 0.00 0.00 70.33 67.03 1wft n THR 86 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1wft n SER 87 N 17.91 -4.07 -3.15 8.00 2.88 -1.26 -4.84 113.62 129.09 1wft n SER 87 Ca 0.40 0.25 0.06 0.00 -1.33 0.00 0.00 58.87 58.25 1wft n SER 87 Cb 0.46 -3.58 -0.01 0.00 -0.75 0.00 0.00 64.21 60.33 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 -4.13 0.03 -0.76 -1.46 3.52 -1.20 -5.10 118.95 109.84 1wft s ARG 88 Ca 0.00 0.04 -0.25 0.00 -0.13 0.00 0.00 55.73 55.39 1wft s ARG 88 Cb 0.00 0.02 -0.03 0.00 -1.56 0.00 0.00 34.95 33.38 1wft s ARG 88 CO 0.00 -0.04 1.91 -1.25 -0.81 0.00 0.00 175.30 175.10 1wft s PRO 89 N 2.99 2.59 0.25 5.12 0.04 -1.26 -4.28 135.00 140.46 1wft s PRO 89 Ca 0.11 0.14 -0.00 0.00 0.04 0.00 0.00 61.00 61.29 1wft s PRO 89 Cb -0.04 -4.74 -0.03 0.00 0.04 0.00 0.00 34.50 29.73 1wft s PRO 89 CO -0.15 -3.07 0.24 0.00 0.04 0.00 0.00 177.00 174.07 1wft s ALA 90 N 9.60 1.14 -0.11 8.56 0.00 -1.22 -0.06 121.76 139.67 1wft s ALA 90 Ca 0.69 -1.68 -0.00 0.00 0.00 0.00 0.00 51.96 50.96 1wft s ALA 90 Cb -0.09 1.35 -0.02 0.00 0.00 0.00 0.00 23.12 24.35 1wft s ALA 90 CO 0.09 -0.66 -0.09 0.42 0.00 0.00 0.00 175.76 175.52 1wft s ILE 91 N -3.85 3.42 -0.24 0.00 1.01 0.20 -2.88 121.20 118.85 1wft s ILE 91 Ca 0.37 -0.55 -0.19 0.00 0.00 0.00 0.00 60.65 60.27 1wft s ILE 91 Cb 0.04 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 1wft s ILE 91 CO 0.16 0.54 0.57 -0.69 0.00 0.00 0.00 174.94 175.53 1wft s VAL 92 N -0.07 5.04 0.21 2.92 1.01 -1.26 -0.58 120.40 127.67 1wft s VAL 92 Ca -0.01 1.02 0.11 0.00 0.00 0.00 0.00 61.98 63.10 1wft s VAL 92 Cb -0.14 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1wft s VAL 92 CO 0.03 0.08 -0.17 -0.36 0.00 0.00 0.00 175.10 174.69 1wft s PHE 93 N 2.23 2.44 -0.02 5.22 0.08 -0.42 -4.16 117.98 123.35 1wft s PHE 93 Ca 0.24 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 57.02 1wft s PHE 93 Cb -0.16 -1.17 0.00 0.00 -0.57 0.00 0.00 43.02 41.13 1wft s PHE 93 CO 0.09 0.55 -0.08 0.50 -0.10 0.00 0.00 175.22 176.18 1wft s ARG 94 N -2.94 0.81 -0.05 0.44 3.52 -0.87 -1.99 118.95 117.87 1wft s ARG 94 Ca 0.24 -0.27 -0.03 0.00 -0.13 0.00 0.00 55.73 55.54 1wft s ARG 94 Cb -0.08 -0.78 0.03 0.00 -1.56 0.00 0.00 34.95 32.57 1wft s ARG 94 CO 0.13 0.12 0.13 0.42 -0.81 0.00 0.00 175.30 175.28 1wft s ILE 95 N 0.11 -0.03 0.17 4.11 1.01 -0.93 -1.53 121.20 124.10 1wft s ILE 95 Ca -0.01 0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.65 1wft s ILE 95 Cb -0.07 -0.20 -0.00 0.00 0.01 0.00 0.00 42.46 42.20 1wft s ILE 95 CO 0.00 0.04 0.31 -0.55 0.00 0.00 0.00 174.94 174.75 1wft s SER 96 N 0.72 0.01 -0.10 3.58 0.15 -1.20 -1.83 113.70 115.02 1wft s SER 96 Ca -0.05 -0.82 -0.04 0.00 0.70 0.00 0.00 55.95 55.73 1wft s SER 96 Cb -0.07 0.45 -0.04 0.00 -1.71 0.00 0.00 66.02 64.65 1wft s SER 96 CO -0.03 -0.91 0.06 0.00 1.20 0.00 0.00 173.24 173.55 1wft s ALA 97 N -3.96 3.52 -0.18 5.45 0.00 -1.26 -3.01 121.76 122.33 1wft s ALA 97 Ca 0.16 -0.74 -0.11 0.00 0.00 0.00 0.00 51.96 51.26 1wft s ALA 97 Cb 0.03 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.43 1wft s ALA 97 CO -0.00 0.60 0.20 0.21 0.00 0.00 0.00 175.76 176.77 1wft s LYS 98 N -0.95 4.17 0.32 0.00 2.20 -1.04 -3.08 119.74 121.36 1wft s LYS 98 Ca 0.14 -0.08 0.04 0.00 -0.36 0.00 0.00 55.97 55.72 1wft s LYS 98 Cb -0.12 -3.40 -0.06 0.00 -1.51 0.00 0.00 37.83 32.74 1wft s LYS 98 CO 0.03 0.31 0.04 0.54 -0.36 0.00 0.00 175.35 175.91 1wft s ASN 99 N 0.30 2.50 0.33 1.43 4.22 -0.55 -2.83 114.94 120.33 1wft s ASN 99 Ca 0.12 -1.34 0.19 0.00 -2.14 0.00 0.00 52.86 49.68 1wft s ASN 99 Cb -0.12 -0.11 1.19 0.00 1.28 0.00 0.00 41.25 43.49 1wft s ASN 99 CO 0.01 -0.56 1.40 -0.62 -2.04 0.00 0.00 177.10 175.30 1wft n GLU 100 N -0.68 -0.05 0.21 3.55 1.02 -1.26 -0.56 120.64 122.86 1wft n GLU 100 Ca -0.03 1.22 -0.09 0.00 -0.02 0.00 0.00 57.16 58.25 1wft n GLU 100 Cb 0.66 -2.20 -0.04 0.00 -0.02 0.00 0.00 31.44 29.84 1wft n GLU 100 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1wft h LYS 101 N 0.00 -0.54 0.00 3.49 6.56 -1.95 -3.50 116.57 120.63 1wft h LYS 101 Ca 0.75 0.04 0.00 0.00 -1.06 0.00 0.00 60.65 60.38 1wft h LYS 101 Cb 1.99 0.12 0.00 0.00 -0.57 0.00 0.00 32.23 33.77 1wft h LYS 101 CO -0.68 -0.36 0.00 0.41 -2.06 0.00 0.00 179.45 176.76 1wft n GLY 102 N -0.11 -1.79 2.76 3.86 0.00 0.27 -5.13 105.19 105.05 1wft n GLY 102 Ca -0.07 0.77 -0.18 0.00 0.00 0.00 0.00 46.02 46.55 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 -0.04 0.00 1.61 2.02 -1.26 -1.48 117.35 118.20 1wft s TYR 103 Ca 0.00 0.37 0.00 0.00 -0.37 0.00 0.00 57.07 57.07 1wft s TYR 103 Cb 0.00 -0.34 0.00 0.00 -0.40 0.00 0.00 41.96 41.22 1wft s TYR 103 CO 0.00 -0.20 0.00 0.41 -1.57 0.00 0.00 175.55 174.19 1wft n GLY 104 N 5.04 -0.24 3.70 0.71 0.00 -1.18 -4.95 105.19 108.27 1wft n GLY 104 Ca -0.09 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 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 0.00 4.30 0.33 1.61 0.04 -1.26 -4.89 135.00 135.13 1wft s PRO 105 Ca 0.00 2.03 -0.08 0.00 0.04 0.00 0.00 61.00 62.99 1wft s PRO 105 Cb 0.00 -3.42 -0.06 0.00 0.04 0.00 0.00 34.50 31.06 1wft s PRO 105 CO 0.00 -0.51 0.65 0.00 0.04 0.00 0.00 177.00 177.18 1wft s ALA 106 N 1.78 3.49 -0.07 8.56 0.00 -1.26 -4.26 121.76 129.99 1wft s ALA 106 Ca 0.65 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 52.30 1wft s ALA 106 Cb -0.34 -2.51 -0.02 0.00 0.00 0.00 0.00 23.12 20.26 1wft s ALA 106 CO 0.29 0.18 -0.19 0.99 0.00 0.00 0.00 175.76 177.03 1wft s THR 107 N -2.16 2.63 0.02 0.00 2.01 -0.76 -4.95 115.64 112.43 1wft s THR 107 Ca 0.48 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.64 1wft s THR 107 Cb -0.11 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 1wft s THR 107 CO 0.29 0.57 0.02 -1.58 -0.69 0.00 0.00 174.62 173.22 1wft s GLN 108 N -0.23 2.81 -0.04 4.92 -0.44 -1.26 -2.19 119.66 123.23 1wft s GLN 108 Ca -0.00 -0.63 -0.07 0.00 -2.50 0.00 0.00 55.36 52.16 1wft s GLN 108 Cb -0.13 -2.69 0.01 0.00 -1.64 0.00 0.00 33.01 28.56 1wft s GLN 108 CO 0.03 0.61 0.17 -1.50 0.50 0.00 0.00 175.29 175.10 1wft s ILE 109 N -1.16 0.04 -0.28 -2.34 2.07 -0.84 -4.97 121.20 113.72 1wft s ILE 109 Ca 0.22 -0.30 -0.07 0.00 -1.41 0.00 0.00 60.65 59.09 1wft s ILE 109 Cb -0.12 -0.35 -0.01 0.00 0.13 0.00 0.00 42.46 42.12 1wft s ILE 109 CO 0.13 -0.16 0.08 -0.13 -1.91 0.00 0.00 174.94 172.95 1wft s ARG 110 N -0.56 3.36 -0.50 3.50 3.00 -1.26 -1.29 118.95 125.19 1wft s ARG 110 Ca -0.06 -0.68 -0.08 0.00 0.00 0.00 0.00 55.73 54.91 1wft s ARG 110 Cb -0.04 -3.37 0.13 0.00 0.00 0.00 0.00 34.95 31.67 1wft s ARG 110 CO 0.01 -0.33 0.37 -0.46 0.00 0.00 0.00 175.30 174.88 1wft s TRP 111 N 1.56 3.47 -0.11 -0.53 -0.00 0.25 -4.81 118.94 118.77 1wft s TRP 111 Ca 0.05 -2.05 -0.40 0.00 -0.00 0.00 0.00 56.10 53.69 1wft s TRP 111 Cb -0.16 -3.45 -0.18 0.00 -0.00 0.00 0.00 33.47 29.68 1wft s TRP 111 CO 0.03 -0.98 1.39 1.28 -0.00 0.00 0.00 176.95 178.68 1wft n LEU 112 N 4.64 1.28 -0.14 5.86 4.77 -1.26 -0.63 117.00 131.52 1wft n LEU 112 Ca -0.04 1.13 -0.29 0.00 -0.03 0.00 0.00 56.01 56.78 1wft n LEU 112 Cb 0.41 -1.05 -0.10 0.00 -2.33 0.00 0.00 43.42 40.34 1wft n LEU 112 CO 0.40 -1.12 -1.40 1.67 -1.33 0.00 0.00 177.39 175.61 1wft n GLN 113 N 3.09 0.59 0.00 3.23 7.27 0.91 -4.84 117.38 127.64 1wft n GLN 113 Ca 0.23 0.27 0.00 0.00 0.07 0.00 0.00 57.00 57.57 1wft n GLN 113 Cb 0.11 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.26 1wft n GLN 113 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1wft n GLY 114 N 1.26 3.61 0.32 1.69 0.00 -1.17 -4.92 105.19 105.98 1wft n GLY 114 Ca -0.53 -1.18 0.08 0.00 0.00 0.00 0.00 46.02 44.39 1wft n GLY 114 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1wft h ASN 115 N 0.00 -0.57 0.00 1.61 7.08 -2.00 -3.40 115.58 118.30 1wft h ASN 115 Ca 0.00 0.26 -0.41 0.00 -3.08 0.00 0.00 56.30 53.07 1wft h ASN 115 Cb 0.00 0.48 -0.06 0.00 -2.08 0.00 0.00 38.32 36.66 1wft h ASN 115 CO 0.00 -0.29 1.26 -1.20 -2.08 0.00 0.00 177.43 175.12 1wft n SER 116 N -5.48 0.28 -3.48 6.14 7.64 -1.26 -4.83 113.62 112.62 1wft n SER 116 Ca 0.17 0.20 -0.15 0.00 1.01 0.00 0.00 58.87 60.10 1wft n SER 116 Cb 0.58 -0.69 -0.04 0.00 -1.01 0.00 0.00 64.21 63.05 1wft n SER 116 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1wft s LYS 117 N 6.33 1.15 -0.18 1.43 2.47 -1.26 -5.08 119.74 124.60 1wft s LYS 117 Ca 1.00 -0.09 -0.03 0.00 -1.56 0.00 0.00 55.97 55.28 1wft s LYS 117 Cb -0.97 0.53 -0.10 0.00 -1.46 0.00 0.00 37.83 35.83 1wft s LYS 117 CO 0.39 -0.43 -0.19 0.43 0.16 0.00 0.00 175.35 175.71 1wft n SER 118 N 0.33 2.10 -0.53 1.43 7.64 -1.26 -5.13 113.62 118.19 1wft n SER 118 Ca -0.18 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1wft n SER 118 Cb 0.61 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1wft n SER 118 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wft n GLY 119 N 2.32 -3.36 2.39 0.23 0.00 -1.26 -5.00 105.19 100.51 1wft n GLY 119 Ca -0.33 -1.09 -0.20 0.00 0.00 0.00 0.00 46.02 44.39 1wft n GLY 119 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wft n PRO 120 N -1.49 -2.48 -3.79 1.61 -0.04 -1.26 -5.10 135.00 122.45 1wft n PRO 120 Ca 0.00 -1.19 -0.02 0.00 -0.04 0.00 0.00 63.50 62.25 1wft n PRO 120 Cb 0.09 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1wft n PRO 120 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wft s SER 121 N -3.51 -0.08 -0.03 3.54 0.01 -1.26 -5.19 113.70 107.18 1wft s SER 121 Ca 0.48 -0.44 -0.23 0.00 1.31 0.00 0.00 55.95 57.07 1wft s SER 121 Cb -0.05 0.41 0.05 0.00 0.21 0.00 0.00 66.02 66.64 1wft s SER 121 CO 0.37 -0.79 0.51 -0.55 0.41 0.00 0.00 173.24 173.19 1wft s SER 122 N -3.16 -0.44 0.00 2.44 0.15 -1.26 -5.35 113.70 106.08 1wft s SER 122 Ca 0.17 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.24 1wft s SER 122 Cb -0.01 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1wft s SER 122 CO 0.02 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.54