#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wft h SER 2 N 0.00 0.34 -2.79 1.61 4.64 -2.04 -3.27 113.55 112.05 1wft h SER 2 Ca 0.00 0.01 -0.76 0.00 -0.47 0.00 0.00 61.79 60.58 1wft h SER 2 Cb 0.00 -0.06 -0.22 0.00 -0.31 0.00 0.00 62.40 61.81 1wft h SER 2 CO 0.00 0.20 0.89 -0.94 -0.87 0.00 0.00 176.83 176.10 1wft s SER 3 N -6.18 7.06 1.19 4.97 1.04 -1.26 -4.94 113.70 115.59 1wft s SER 3 Ca -0.08 -3.03 0.00 0.00 0.48 0.00 0.00 55.95 53.33 1wft s SER 3 Cb 0.20 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 64.00 1wft s SER 3 CO 0.75 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.95 1wft n GLY 4 N 3.85 1.54 3.62 7.32 0.00 -1.23 -4.76 105.19 115.53 1wft n GLY 4 Ca 0.29 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1wft n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wft s SER 5 N -4.00 4.86 -1.15 1.61 1.04 -1.26 -4.60 113.70 110.20 1wft s SER 5 Ca 0.00 0.03 -0.24 0.00 0.48 0.00 0.00 55.95 56.23 1wft s SER 5 Cb 0.00 -1.27 -0.12 0.00 0.10 0.00 0.00 66.02 64.73 1wft s SER 5 CO 0.00 0.37 1.98 -0.94 0.98 0.00 0.00 173.24 175.63 1wft s SER 6 N -0.86 4.65 0.30 7.02 1.04 -1.26 -4.87 113.70 119.71 1wft s SER 6 Ca 0.13 -1.47 0.09 0.00 0.48 0.00 0.00 55.95 55.18 1wft s SER 6 Cb -0.11 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.38 1wft s SER 6 CO 0.02 -3.48 0.10 -0.83 0.98 0.00 0.00 173.24 170.04 1wft s GLY 7 N 7.04 1.77 -0.07 7.32 0.00 -1.26 -4.76 107.32 117.37 1wft s GLY 7 Ca 0.72 -1.71 -0.30 0.00 0.00 0.00 0.00 44.72 43.43 1wft s GLY 7 CO 0.14 -1.70 1.50 2.56 0.00 0.00 0.00 173.10 175.60 1wft s PRO 8 N -3.79 4.21 0.45 2.90 0.04 -1.26 -4.82 135.00 132.73 1wft s PRO 8 Ca 0.35 2.01 -0.20 0.00 0.04 0.00 0.00 61.00 63.20 1wft s PRO 8 Cb -0.05 -3.84 -0.15 0.00 0.04 0.00 0.00 34.50 30.51 1wft s PRO 8 CO 0.22 -0.75 0.09 0.41 0.04 0.00 0.00 177.00 177.00 1wft n GLY 9 N 3.90 -2.70 3.78 0.56 0.00 -1.26 -4.29 105.19 105.17 1wft n GLY 9 Ca 0.16 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.77 2.99 0.63 4.61 0.00 -1.26 -4.73 121.76 122.22 1wft s ALA 10 Ca 0.60 0.74 -0.16 0.00 0.00 0.00 0.00 51.96 53.14 1wft s ALA 10 Cb -0.57 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.23 1wft s ALA 10 CO 0.63 -0.38 1.12 -1.25 0.00 0.00 0.00 175.76 175.88 1wft s PRO 11 N -2.76 2.94 0.18 0.00 0.04 -1.26 -4.71 135.00 129.43 1wft s PRO 11 Ca 0.62 1.45 0.07 0.00 0.04 0.00 0.00 61.00 63.18 1wft s PRO 11 Cb -0.22 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1wft s PRO 11 CO 0.28 -1.15 -0.13 0.45 0.04 0.00 0.00 177.00 176.49 1wft s SER 12 N -2.37 2.30 -0.55 6.66 0.15 -1.16 -4.83 113.70 113.89 1wft s SER 12 Ca 0.68 -1.02 -0.02 0.00 0.70 0.00 0.00 55.95 56.29 1wft s SER 12 Cb -0.21 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 1wft s SER 12 CO 0.38 -0.23 0.47 0.41 1.20 0.00 0.00 173.24 175.47 1wft n THR 13 N -0.32 -1.85 -2.39 6.45 -1.04 -1.26 -1.82 114.28 112.06 1wft n THR 13 Ca -0.09 -0.09 -0.43 0.00 -2.04 0.00 0.00 64.05 61.40 1wft n THR 13 Cb 0.60 -3.01 -0.02 0.00 -1.82 0.00 0.00 70.33 66.08 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 -3.14 3.90 -0.04 12.58 1.01 -1.26 -4.18 120.40 129.27 1wft s VAL 14 Ca 0.14 0.87 -0.00 0.00 0.00 0.00 0.00 61.98 63.00 1wft s VAL 14 Cb -0.06 -4.33 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 1wft s VAL 14 CO 0.31 -0.92 0.01 -0.13 0.00 0.00 0.00 175.10 174.37 1wft s ARG 15 N 5.07 2.89 0.02 2.72 0.52 -0.97 -4.98 118.95 124.22 1wft s ARG 15 Ca 0.57 -0.51 0.06 0.00 -0.52 0.00 0.00 55.73 55.33 1wft s ARG 15 Cb -0.12 -2.73 -0.02 0.00 0.52 0.00 0.00 34.95 32.60 1wft s ARG 15 CO 0.30 0.66 -0.19 0.42 0.02 0.00 0.00 175.30 176.51 1wft s ILE 16 N -1.00 1.50 -0.18 1.52 1.01 -1.26 -1.51 121.20 121.28 1wft s ILE 16 Ca 0.17 -1.02 -0.06 0.00 0.00 0.00 0.00 60.65 59.74 1wft s ILE 16 Cb -0.11 -1.29 0.09 0.00 0.01 0.00 0.00 42.46 41.15 1wft s ILE 16 CO 0.07 0.24 0.36 -0.44 0.00 0.00 0.00 174.94 175.18 1wft s SER 17 N -0.91 0.01 0.16 3.58 0.01 -0.62 -5.01 113.70 110.92 1wft s SER 17 Ca 0.06 0.79 -0.31 0.00 1.31 0.00 0.00 55.95 57.80 1wft s SER 17 Cb -0.08 1.11 -0.09 0.00 0.21 0.00 0.00 66.02 67.16 1wft s SER 17 CO 0.01 -0.24 1.47 -0.75 0.41 0.00 0.00 173.24 174.14 1wft s LYS 18 N 2.54 4.27 0.40 12.44 2.20 -1.26 -0.44 119.74 139.89 1wft s LYS 18 Ca 0.00 2.24 0.08 0.00 -0.36 0.00 0.00 55.97 57.93 1wft s LYS 18 Cb -0.12 -3.18 -0.05 0.00 -1.51 0.00 0.00 37.83 32.97 1wft s LYS 18 CO -0.12 -0.50 0.17 1.21 -0.36 0.00 0.00 175.35 175.76 1wft s ASN 19 N 0.95 4.45 0.47 1.43 2.47 0.10 -4.85 114.94 119.96 1wft s ASN 19 Ca 0.66 -1.03 0.15 0.00 0.42 0.00 0.00 52.86 53.06 1wft s ASN 19 Cb -0.41 -0.51 1.09 0.00 -1.45 0.00 0.00 41.25 39.97 1wft s ASN 19 CO 0.33 -0.50 2.04 -0.37 -3.72 0.00 0.00 177.10 174.88 1wft h VAL 20 N 1.45 1.08 0.00 -5.21 -1.51 -2.00 -2.10 116.25 107.97 1wft h VAL 20 Ca -0.43 -0.46 -0.20 0.00 -1.23 0.00 0.00 66.70 64.38 1wft h VAL 20 Cb 1.25 1.25 -0.03 0.00 -2.13 0.00 0.00 31.29 31.63 1wft h VAL 20 CO 0.69 0.13 -1.09 0.44 -1.23 0.00 0.00 177.57 176.50 1wft h ASP 21 N 0.00 0.00 0.00 4.19 3.32 -1.96 -3.50 116.42 118.48 1wft h ASP 21 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wft h ASP 21 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1wft h ASP 21 CO 0.02 0.86 0.00 0.61 -1.72 0.00 0.00 179.24 179.01 1wft n GLY 22 N 1.37 -0.68 3.26 2.75 0.00 -0.79 -4.53 105.19 106.58 1wft n GLY 22 Ca -0.04 0.43 -0.29 0.00 0.00 0.00 0.00 46.02 46.12 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 1.83 -0.48 -0.61 1.01 0.24 0.03 121.20 123.21 1wft s ILE 23 Ca 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 60.65 59.63 1wft s ILE 23 Cb 0.00 -1.52 0.13 0.00 0.01 0.00 0.00 42.46 41.08 1wft s ILE 23 CO 0.00 0.52 0.28 -2.28 0.00 0.00 0.00 174.94 173.46 1wft s HIS 24 N -0.53 3.52 0.28 3.97 2.46 0.42 -0.85 115.29 124.56 1wft s HIS 24 Ca 0.09 -2.50 -0.10 0.00 0.47 0.00 0.00 55.06 53.02 1wft s HIS 24 Cb -0.09 -3.23 -0.07 0.00 -0.13 0.00 0.00 32.58 29.06 1wft s HIS 24 CO -0.01 -0.93 0.62 -1.17 -2.47 0.00 0.00 174.74 170.78 1wft s LEU 25 N 0.76 4.09 0.16 8.88 2.96 -0.43 -1.59 118.68 133.53 1wft s LEU 25 Ca 0.11 1.00 -0.16 0.00 -0.22 0.00 0.00 54.13 54.86 1wft s LEU 25 Cb -0.22 -3.79 0.03 0.00 0.50 0.00 0.00 46.19 42.70 1wft s LEU 25 CO -0.04 -0.15 0.45 -0.55 -1.32 0.00 0.00 176.35 174.74 1wft s SER 26 N -2.52 -0.23 0.03 3.68 0.15 -0.57 -2.05 113.70 112.18 1wft s SER 26 Ca 0.49 -0.43 -0.28 0.00 0.70 0.00 0.00 55.95 56.43 1wft s SER 26 Cb -0.11 0.52 0.09 0.00 -1.71 0.00 0.00 66.02 64.82 1wft s SER 26 CO 0.22 -0.95 0.95 -1.66 1.20 0.00 0.00 173.24 173.00 1wft s TRP 27 N -3.85 -0.26 0.05 3.44 -2.14 -0.12 -2.30 118.94 113.76 1wft s TRP 27 Ca 0.07 0.08 0.02 0.00 2.66 0.00 0.00 56.10 58.93 1wft s TRP 27 Cb 0.01 0.57 -0.04 0.00 -3.10 0.00 0.00 33.47 30.90 1wft s TRP 27 CO -0.07 -0.59 0.05 -1.21 -2.66 0.00 0.00 176.95 172.48 1wft s GLU 28 N -3.09 2.85 0.61 3.25 0.41 -0.75 -4.73 118.70 117.25 1wft s GLU 28 Ca 0.08 -0.65 -0.17 0.00 -0.41 0.00 0.00 54.97 53.82 1wft s GLU 28 Cb -0.01 -2.72 -0.02 0.00 -1.78 0.00 0.00 34.13 29.60 1wft s GLU 28 CO -0.05 0.59 1.12 -1.25 -0.49 0.00 0.00 175.26 175.18 1wft s PRO 29 N -2.07 3.02 -0.66 0.39 0.04 -1.26 -2.98 135.00 131.48 1wft s PRO 29 Ca 0.25 1.48 -0.26 0.00 0.04 0.00 0.00 61.00 62.51 1wft s PRO 29 Cb -0.12 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1wft s PRO 29 CO 0.17 -1.09 1.88 -1.25 0.04 0.00 0.00 177.00 176.75 1wft s PRO 30 N -3.78 2.61 0.31 0.56 0.04 -1.26 -4.74 135.00 128.74 1wft s PRO 30 Ca 0.69 0.48 0.07 0.00 0.04 0.00 0.00 61.00 62.27 1wft s PRO 30 Cb -0.22 -4.49 0.88 0.00 0.04 0.00 0.00 34.50 30.71 1wft s PRO 30 CO 0.36 -2.84 1.62 0.00 0.04 0.00 0.00 177.00 176.18 1wft h THR 31 N 6.95 0.18 -2.46 1.26 1.03 -1.94 -3.41 112.91 114.51 1wft h THR 31 Ca -0.21 -0.04 -0.61 0.00 -0.01 0.00 0.00 66.41 65.54 1wft h THR 31 Cb 1.14 0.04 0.10 0.00 -1.07 0.00 0.00 68.15 68.35 1wft h THR 31 CO 1.22 0.02 0.25 -1.54 -0.01 0.00 0.00 175.52 175.46 1wft n SER 32 N -5.29 1.62 -4.57 0.00 3.41 -1.26 -4.80 113.62 102.74 1wft n SER 32 Ca 0.26 1.17 -0.27 0.00 -0.26 0.00 0.00 58.87 59.77 1wft n SER 32 Cb 0.85 -1.31 -0.05 0.00 -0.26 0.00 0.00 64.21 63.43 1wft n SER 32 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1wft s PRO 33 N -1.19 2.54 -0.63 4.33 0.04 -1.26 -4.80 135.00 134.03 1wft s PRO 33 Ca 0.63 -0.53 -0.02 0.00 0.04 0.00 0.00 61.00 61.12 1wft s PRO 33 Cb -0.71 -5.11 0.38 0.00 0.04 0.00 0.00 34.50 29.10 1wft s PRO 33 CO 0.57 -3.54 2.06 0.45 0.04 0.00 0.00 177.00 176.59 1wft n SER 34 N 14.08 7.45 0.00 6.66 2.88 -1.26 -5.03 113.62 138.40 1wft n SER 34 Ca 0.41 -3.66 0.00 0.00 -1.33 0.00 0.00 58.87 54.30 1wft n SER 34 Cb 0.47 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 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 -0.60 2.39 3.48 0.46 0.00 -1.26 -4.45 105.19 105.21 1wft n GLY 35 Ca 0.56 -0.48 -0.41 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 -4.00 6.01 -0.89 1.61 -0.87 -1.26 -5.02 114.94 110.53 1wft s ASN 36 Ca 0.00 -0.67 -0.25 0.00 -1.57 0.00 0.00 52.86 50.38 1wft s ASN 36 Cb 0.00 -2.13 -0.04 0.00 -0.02 0.00 0.00 41.25 39.07 1wft s ASN 36 CO 0.00 -0.33 1.89 -0.63 -2.57 0.00 0.00 177.10 175.46 1wft s ILE 37 N 1.68 3.49 0.14 0.60 -1.09 -1.26 -4.72 121.20 120.04 1wft s ILE 37 Ca 0.05 -0.35 -0.16 0.00 -2.23 0.00 0.00 60.65 57.97 1wft s ILE 37 Cb -0.18 -4.11 0.09 0.00 -1.58 0.00 0.00 42.46 36.68 1wft s ILE 37 CO 0.10 -1.05 1.09 0.18 -1.23 0.00 0.00 174.94 174.03 1wft n LEU 38 N 13.34 -0.56 -3.85 2.97 4.77 -0.87 -4.78 117.00 128.03 1wft n LEU 38 Ca 0.37 1.24 -0.02 0.00 -0.03 0.00 0.00 56.01 57.57 1wft n LEU 38 Cb 0.48 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1wft n LEU 38 CO 0.62 -1.08 0.85 -0.70 -1.33 0.00 0.00 177.39 175.75 1wft s GLU 39 N -5.55 1.11 0.38 3.23 2.12 -1.25 -5.03 118.70 113.70 1wft s GLU 39 Ca -0.09 -0.69 0.08 0.00 0.36 0.00 0.00 54.97 54.62 1wft s GLU 39 Cb 0.12 0.33 -0.04 0.00 0.26 0.00 0.00 34.13 34.79 1wft s GLU 39 CO 0.48 -0.52 0.20 0.71 -0.54 0.00 0.00 175.26 175.59 1wft s TYR 40 N -2.39 2.66 -0.13 5.30 1.51 -0.82 -1.79 117.35 121.69 1wft s TYR 40 Ca 0.20 -0.49 -0.26 0.00 -1.01 0.00 0.00 57.07 55.52 1wft s TYR 40 Cb -0.01 -1.86 0.06 0.00 -0.11 0.00 0.00 41.96 40.04 1wft s TYR 40 CO 0.03 0.20 0.63 0.45 -1.11 0.00 0.00 175.55 175.75 1wft s SER 41 N -3.92 -0.62 -0.07 2.29 0.15 -1.05 -3.58 113.70 106.91 1wft s SER 41 Ca 0.41 0.90 0.03 0.00 0.70 0.00 0.00 55.95 57.99 1wft s SER 41 Cb 0.00 0.85 0.01 0.00 -1.71 0.00 0.00 66.02 65.17 1wft s SER 41 CO 0.23 -0.43 -0.17 0.00 1.20 0.00 0.00 173.24 174.08 1wft s ALA 42 N -0.55 1.58 0.06 5.45 0.00 -1.18 -2.98 121.76 124.13 1wft s ALA 42 Ca -0.07 -0.64 0.07 0.00 0.00 0.00 0.00 51.96 51.33 1wft s ALA 42 Cb -0.02 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 1wft s ALA 42 CO 0.06 0.20 -0.16 0.71 0.00 0.00 0.00 175.76 176.57 1wft s TYR 43 N 0.42 2.60 -0.25 0.00 1.51 -0.23 -1.31 117.35 120.10 1wft s TYR 43 Ca -0.13 -0.23 0.02 0.00 -1.01 0.00 0.00 57.07 55.71 1wft s TYR 43 Cb -0.15 -1.45 0.06 0.00 -0.11 0.00 0.00 41.96 40.30 1wft s TYR 43 CO 0.05 0.30 -0.08 -1.17 -1.11 0.00 0.00 175.55 173.54 1wft s LEU 44 N -1.63 2.99 -0.12 -1.29 2.96 -0.44 -2.75 118.68 118.39 1wft s LEU 44 Ca 0.16 -1.27 -0.38 0.00 -0.22 0.00 0.00 54.13 52.41 1wft s LEU 44 Cb -0.11 -1.36 -0.16 0.00 0.50 0.00 0.00 46.19 45.06 1wft s LEU 44 CO 0.07 -0.21 1.60 0.00 -1.32 0.00 0.00 176.35 176.49 1wft n ALA 45 N 4.55 -0.36 -2.46 5.97 0.00 -1.20 -3.68 120.51 123.34 1wft n ALA 45 Ca -0.13 0.43 -0.27 0.00 0.00 0.00 0.00 53.44 53.46 1wft n ALA 45 Cb 0.43 -2.19 -0.16 0.00 0.00 0.00 0.00 19.45 17.53 1wft n ALA 45 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1wft s ILE 46 N 2.38 1.66 0.88 0.00 -4.36 -1.05 -0.29 121.20 120.43 1wft s ILE 46 Ca 0.92 -0.89 -0.12 0.00 -0.26 0.00 0.00 60.65 60.30 1wft s ILE 46 Cb -0.99 -1.38 0.12 0.00 1.25 0.00 0.00 42.46 41.46 1wft s ILE 46 CO 0.57 0.47 1.10 0.00 0.24 0.00 0.00 174.94 177.32 1wft s ARG 47 N -0.45 1.37 -0.30 0.37 1.70 -1.09 -4.50 118.95 116.05 1wft s ARG 47 Ca 0.07 0.64 -0.17 0.00 -0.47 0.00 0.00 55.73 55.80 1wft s ARG 47 Cb -0.08 -1.84 0.18 0.00 -0.57 0.00 0.00 34.95 32.64 1wft s ARG 47 CO -0.00 -2.12 1.14 -0.08 -1.08 0.00 0.00 175.30 173.16 1wft s THR 48 N -3.06 -0.27 -0.42 4.99 -1.32 -1.26 -4.92 115.64 109.38 1wft s THR 48 Ca 0.63 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.84 1wft s THR 48 Cb -0.16 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.76 1wft s THR 48 CO 0.56 0.00 2.37 0.00 -2.21 0.00 0.00 174.62 175.33 1wft n ALA 49 N 4.71 1.07 -3.64 11.08 0.00 -1.26 -4.88 120.51 127.58 1wft n ALA 49 Ca -0.08 -0.74 -0.07 0.00 0.00 0.00 0.00 53.44 52.56 1wft n ALA 49 Cb 0.54 -3.12 -0.07 0.00 0.00 0.00 0.00 19.45 16.80 1wft n ALA 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1wft s GLN 50 N 7.74 0.68 -0.05 0.00 2.00 -1.26 -5.13 119.66 123.64 1wft s GLN 50 Ca 0.99 1.17 -0.41 0.00 -2.00 0.00 0.00 55.36 55.12 1wft s GLN 50 Cb -0.24 0.14 -0.20 0.00 0.80 0.00 0.00 33.01 33.51 1wft s GLN 50 CO 0.29 -0.14 1.14 0.00 -0.50 0.00 0.00 175.29 176.08 1wft n MET 51 N 4.24 0.07 -2.52 1.67 0.00 -1.26 -4.80 117.12 114.52 1wft n MET 51 Ca -0.20 0.02 -0.40 0.00 0.00 0.00 0.00 57.70 57.12 1wft n MET 51 Cb 0.59 -1.53 -0.03 0.00 0.00 0.00 0.00 33.22 32.24 1wft n MET 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 1wft s GLN 52 N 0.36 3.32 0.08 3.17 0.74 -1.26 -4.87 119.66 121.20 1wft s GLN 52 Ca 0.92 -0.59 -0.30 0.00 0.05 0.00 0.00 55.36 55.45 1wft s GLN 52 Cb -1.28 -4.72 -0.17 0.00 1.10 0.00 0.00 33.01 27.95 1wft s GLN 52 CO 0.59 -2.23 1.66 0.38 -0.55 0.00 0.00 175.29 175.14 1wft h ASP 53 N 10.15 -0.54 -4.25 6.67 2.03 -2.02 -3.45 116.42 125.01 1wft h ASP 53 Ca -0.06 0.02 -0.16 0.00 -0.73 0.00 0.00 57.03 56.10 1wft h ASP 53 Cb 1.04 0.15 -0.24 0.00 -0.83 0.00 0.00 39.33 39.44 1wft h ASP 53 CO 1.34 -0.37 -0.45 0.54 -1.03 0.00 0.00 179.24 179.27 1wft s ASN 54 N -4.66 -0.16 1.15 4.15 2.20 -1.26 -5.17 114.94 111.20 1wft s ASN 54 Ca -0.16 0.23 -0.18 0.00 -0.94 0.00 0.00 52.86 51.82 1wft s ASN 54 Cb 0.04 0.37 0.26 0.00 -2.00 0.00 0.00 41.25 39.93 1wft s ASN 54 CO 0.63 -0.19 1.11 -2.16 -2.94 0.00 0.00 177.10 173.55 1wft s PRO 55 N -0.43 -0.84 -1.28 3.55 0.04 -1.26 -4.22 135.00 130.56 1wft s PRO 55 Ca -0.05 0.07 -0.08 0.00 0.04 0.00 0.00 61.00 60.97 1wft s PRO 55 Cb -0.04 -1.63 0.01 0.00 0.04 0.00 0.00 34.50 32.88 1wft s PRO 55 CO 0.01 -3.48 1.12 0.45 0.04 0.00 0.00 177.00 175.14 1wft n SER 56 N -4.62 -5.89 -3.76 6.66 2.88 -1.26 -5.00 113.62 102.63 1wft n SER 56 Ca 0.11 -0.52 -0.13 0.00 -1.33 0.00 0.00 58.87 57.00 1wft n SER 56 Cb 0.59 -4.82 -0.09 0.00 -0.75 0.00 0.00 64.21 59.14 1wft n SER 56 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1wft s GLN 57 N -6.18 0.64 0.26 -1.46 0.74 -1.26 -5.18 119.66 107.21 1wft s GLN 57 Ca 0.52 -0.10 -0.08 0.00 0.05 0.00 0.00 55.36 55.76 1wft s GLN 57 Cb -0.23 0.29 -0.01 0.00 1.10 0.00 0.00 33.01 34.15 1wft s GLN 57 CO 0.69 -0.17 0.40 -0.51 -0.55 0.00 0.00 175.29 175.15 1wft s LEU 58 N -1.12 0.67 -0.36 3.68 1.43 -1.26 -5.09 118.68 116.62 1wft s LEU 58 Ca -0.12 -1.16 0.04 0.00 -1.03 0.00 0.00 54.13 51.86 1wft s LEU 58 Cb -0.05 1.37 0.10 0.00 0.03 0.00 0.00 46.19 47.65 1wft s LEU 58 CO 0.04 -1.11 0.08 -0.69 0.23 0.00 0.00 176.35 174.90 1wft s VAL 59 N -3.83 2.32 0.31 -1.59 1.01 -1.26 -5.09 120.40 112.26 1wft s VAL 59 Ca 0.28 -2.46 -0.01 0.00 0.00 0.00 0.00 61.98 59.78 1wft s VAL 59 Cb 0.01 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1wft s VAL 59 CO 0.12 -0.62 0.53 -0.36 0.00 0.00 0.00 175.10 174.77 1wft s PHE 60 N 0.76 3.49 -0.02 5.22 0.40 -1.26 -2.52 117.98 124.05 1wft s PHE 60 Ca 0.12 0.43 -0.04 0.00 -0.60 0.00 0.00 56.93 56.84 1wft s PHE 60 Cb -0.20 -1.95 0.00 0.00 0.51 0.00 0.00 43.02 41.38 1wft s PHE 60 CO -0.07 0.17 0.08 0.00 0.70 0.00 0.00 175.22 176.10 1wft s MET 61 N -3.94 0.23 -0.00 0.44 0.23 -1.24 -4.92 119.30 110.09 1wft s MET 61 Ca 0.41 -0.13 -0.30 0.00 -1.03 0.00 0.00 55.69 54.63 1wft s MET 61 Cb -0.10 0.10 -0.07 0.00 -1.53 0.00 0.00 34.83 33.23 1wft s MET 61 CO 0.33 -0.04 1.70 0.50 -2.03 0.00 0.00 175.02 175.48 1wft s ARG 62 N -0.57 4.18 -0.16 3.16 3.52 -1.26 -1.33 118.95 126.49 1wft s ARG 62 Ca -0.06 2.30 0.06 0.00 -0.13 0.00 0.00 55.73 57.90 1wft s ARG 62 Cb -0.04 -3.90 -0.14 0.00 -1.56 0.00 0.00 34.95 29.31 1wft s ARG 62 CO 0.00 -0.83 -0.06 0.44 -0.81 0.00 0.00 175.30 174.04 1wft n ILE 63 N 5.26 0.98 -4.45 4.11 -5.35 -0.43 -4.94 119.36 114.55 1wft n ILE 63 Ca 0.17 -0.48 -0.24 0.00 -0.27 0.00 0.00 62.75 61.93 1wft n ILE 63 Cb 0.42 -0.90 -0.13 0.00 -1.74 0.00 0.00 39.64 37.28 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 -2.34 1.77 -0.10 4.28 6.14 -1.22 -5.06 117.35 120.82 1wft s TYR 64 Ca -0.16 -0.40 0.01 0.00 0.64 0.00 0.00 57.07 57.16 1wft s TYR 64 Cb 0.05 -1.01 0.02 0.00 0.42 0.00 0.00 41.96 41.44 1wft s TYR 64 CO 0.48 0.15 -0.09 0.00 0.64 0.00 0.00 175.55 176.72 1wft n GLY 66 N 4.55 -0.28 1.15 0.00 0.00 -1.23 -4.99 105.19 104.39 1wft n GLY 66 Ca -0.16 -1.08 0.08 0.00 0.00 0.00 0.00 46.02 44.86 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 4.09 -4.86 0.99 -0.00 -1.26 -1.95 117.00 114.00 1wft n LEU 67 Ca 0.00 -2.53 -0.31 0.00 -0.00 0.00 0.00 56.01 53.18 1wft n LEU 67 Cb 0.00 -0.48 0.02 0.00 -0.00 0.00 0.00 43.42 42.96 1wft n LEU 67 CO 0.00 0.74 0.72 -0.54 -0.00 0.00 0.00 177.39 178.32 1wft s LYS 68 N -1.96 3.38 -0.07 1.47 3.01 -1.26 -4.79 119.74 119.52 1wft s LYS 68 Ca 0.42 0.73 0.18 0.00 -1.01 0.00 0.00 55.97 56.29 1wft s LYS 68 Cb 0.28 -2.06 0.60 0.00 -1.01 0.00 0.00 37.83 35.65 1wft s LYS 68 CO 0.17 -0.72 1.52 0.25 0.51 0.00 0.00 175.35 177.08 1wft n THR 69 N -2.85 1.49 -3.62 2.17 -2.24 -1.26 -4.89 114.28 103.08 1wft n THR 69 Ca 0.06 -1.17 -0.03 0.00 -2.27 0.00 0.00 64.05 60.65 1wft n THR 69 Cb 0.54 0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.99 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 -1.04 -0.97 0.39 3.42 0.01 -1.26 -0.94 113.70 113.30 1wft s SER 70 Ca 0.44 1.41 0.04 0.00 1.31 0.00 0.00 55.95 59.16 1wft s SER 70 Cb 0.27 1.87 -0.06 0.00 0.21 0.00 0.00 66.02 68.32 1wft s SER 70 CO 0.24 -0.21 0.04 0.00 0.41 0.00 0.00 173.24 173.73 1wft s THR 72 N -3.03 1.75 -0.14 0.00 2.01 -1.26 -1.31 115.64 113.66 1wft s THR 72 Ca 0.30 -0.81 -0.07 0.00 0.31 0.00 0.00 61.69 61.42 1wft s THR 72 Cb 0.07 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 1wft s THR 72 CO 0.14 0.49 0.10 -0.69 -0.69 0.00 0.00 174.62 173.97 1wft s VAL 73 N 0.71 5.11 0.45 3.82 1.01 -0.03 -4.94 120.40 126.53 1wft s VAL 73 Ca -0.11 0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1wft s VAL 73 Cb -0.16 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1wft s VAL 73 CO 0.02 0.56 0.65 0.42 0.00 0.00 0.00 175.10 176.75 1wft s THR 74 N -0.50 3.66 0.05 3.92 -4.23 -1.26 -0.60 115.64 116.68 1wft s THR 74 Ca 0.11 -0.66 -0.26 0.00 -1.18 0.00 0.00 61.69 59.70 1wft s THR 74 Cb -0.12 -3.33 -0.17 0.00 1.34 0.00 0.00 72.50 70.22 1wft s THR 74 CO 0.02 -0.21 1.52 0.00 -0.54 0.00 0.00 174.62 175.41 1wft h ALA 75 N 0.44 -0.23 -0.79 3.99 0.00 -1.95 -2.78 119.26 117.93 1wft h ALA 75 Ca -0.45 -0.12 0.29 0.00 0.00 0.00 0.00 54.91 54.63 1wft h ALA 75 Cb 1.26 0.09 -0.14 0.00 0.00 0.00 0.00 17.79 19.00 1wft h ALA 75 CO 0.54 -0.54 0.28 0.41 0.00 0.00 0.00 179.25 179.95 1wft n GLY 76 N -0.71 -0.76 0.13 0.00 0.00 -1.26 0.11 105.19 102.69 1wft n GLY 76 Ca -0.09 0.69 -0.17 0.00 0.00 0.00 0.00 46.02 46.44 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 0.34 -0.93 1.61 4.20 -1.94 -3.30 115.11 115.09 1wft h GLN 77 Ca 0.60 -0.39 0.27 0.00 0.06 0.00 0.00 58.65 59.20 1wft h GLN 77 Cb 1.50 0.12 -0.16 0.00 0.30 0.00 0.00 27.48 29.24 1wft h GLN 77 CO -0.65 1.08 0.25 -0.07 -0.67 0.00 0.00 178.83 178.77 1wft h LEU 78 N -0.24 -0.04 -0.83 1.46 3.38 0.10 0.52 115.31 119.66 1wft h LEU 78 Ca -0.07 0.23 0.18 0.00 0.09 0.00 0.00 57.88 58.30 1wft h LEU 78 Cb 1.29 0.31 -0.11 0.00 0.09 0.00 0.00 40.66 42.24 1wft h LEU 78 CO 0.11 -0.24 0.35 0.00 0.09 0.00 0.00 178.44 178.74 1wft h ALA 79 N 1.87 1.25 0.00 1.53 0.00 -1.48 0.35 119.26 122.78 1wft h ALA 79 Ca 0.62 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.58 1wft h ALA 79 Cb 1.33 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1wft h ALA 79 CO -0.73 -0.26 -0.40 -0.91 0.00 0.00 0.00 179.25 176.94 1wft h ASN 80 N 0.44 0.00 -3.94 0.00 2.35 -0.13 -3.45 115.58 110.84 1wft h ASN 80 Ca 0.49 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.68 1wft h ASN 80 Cb 0.83 0.00 0.13 0.00 0.05 0.00 0.00 38.32 39.34 1wft h ASN 80 CO -0.47 0.40 0.61 0.00 -1.65 0.00 0.00 177.43 176.33 1wft n ALA 81 N -2.30 1.67 -2.06 -0.83 0.00 0.12 -2.66 120.51 114.45 1wft n ALA 81 Ca -0.00 0.18 -0.36 0.00 0.00 0.00 0.00 53.44 53.26 1wft n ALA 81 Cb 0.53 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.57 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 -1.25 3.62 -0.40 0.00 2.46 0.61 -4.44 115.29 115.88 1wft s HIS 82 Ca 0.67 1.43 -0.03 0.00 0.47 0.00 0.00 55.06 57.60 1wft s HIS 82 Cb -0.44 -2.65 0.11 0.00 -0.13 0.00 0.00 32.58 29.47 1wft s HIS 82 CO 0.53 0.29 0.20 0.42 -2.47 0.00 0.00 174.74 173.70 1wft s ILE 83 N -1.59 3.24 -0.72 0.89 -1.09 -1.26 -4.18 121.20 116.49 1wft s ILE 83 Ca 0.45 -2.07 -0.26 0.00 -2.23 0.00 0.00 60.65 56.54 1wft s ILE 83 Cb -0.16 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.50 1wft s ILE 83 CO 0.21 -0.68 1.61 -0.62 -1.23 0.00 0.00 174.94 174.22 1wft s ASP 84 N 1.78 5.71 -0.03 3.58 2.15 -1.16 -4.82 116.67 123.87 1wft s ASP 84 Ca 0.08 -0.21 0.02 0.00 0.43 0.00 0.00 52.55 52.88 1wft s ASP 84 Cb -0.23 -2.55 0.13 0.00 -0.30 0.00 0.00 42.92 39.98 1wft s ASP 84 CO -0.04 -2.13 0.74 -1.22 -0.17 0.00 0.00 175.17 172.35 1wft n TYR 85 N 11.23 0.32 -1.24 -5.34 4.01 -1.26 -3.45 117.16 121.42 1wft n TYR 85 Ca 0.16 -0.11 -0.18 0.00 -0.16 0.00 0.00 57.90 57.61 1wft n TYR 85 Cb 0.50 -0.15 -0.10 0.00 -0.31 0.00 0.00 39.34 39.29 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 0.07 0.00 -1.92 -0.72 -1.04 -1.26 -3.09 114.28 106.33 1wft n THR 86 Ca 0.04 -0.09 -0.14 0.00 -2.04 0.00 0.00 64.05 61.82 1wft n THR 86 Cb 0.37 -1.62 -0.03 0.00 -1.82 0.00 0.00 70.33 67.23 1wft n THR 86 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1wft n SER 87 N 14.82 -3.97 -3.15 8.00 7.64 -1.26 -4.84 113.62 130.87 1wft n SER 87 Ca 0.35 0.25 0.06 0.00 1.01 0.00 0.00 58.87 60.53 1wft n SER 87 Cb 0.45 -3.51 -0.01 0.00 -1.01 0.00 0.00 64.21 60.14 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 -4.11 0.05 -0.73 1.43 3.52 -1.18 -5.11 118.95 112.83 1wft s ARG 88 Ca 0.00 0.07 -0.26 0.00 -0.13 0.00 0.00 55.73 55.41 1wft s ARG 88 Cb 0.00 0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.39 1wft s ARG 88 CO 0.00 -0.07 1.90 -1.25 -0.81 0.00 0.00 175.30 175.07 1wft s PRO 89 N 2.99 2.59 0.18 5.12 0.04 -1.26 -4.29 135.00 140.38 1wft s PRO 89 Ca 0.11 0.25 -0.02 0.00 0.04 0.00 0.00 61.00 61.39 1wft s PRO 89 Cb -0.04 -4.66 -0.04 0.00 0.04 0.00 0.00 34.50 29.80 1wft s PRO 89 CO -0.15 -2.99 0.14 0.00 0.04 0.00 0.00 177.00 174.04 1wft s ALA 90 N 9.50 0.93 -0.16 8.56 0.00 -1.22 -2.50 121.76 136.87 1wft s ALA 90 Ca 0.68 -1.54 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 1wft s ALA 90 Cb -0.10 1.19 -0.04 0.00 0.00 0.00 0.00 23.12 24.17 1wft s ALA 90 CO 0.12 -0.58 0.06 0.42 0.00 0.00 0.00 175.76 175.78 1wft s ILE 91 N -4.11 4.79 0.08 0.00 1.01 0.10 -2.99 121.20 120.09 1wft s ILE 91 Ca 0.33 -0.04 -0.21 0.00 0.00 0.00 0.00 60.65 60.73 1wft s ILE 91 Cb 0.06 -3.13 -0.07 0.00 0.01 0.00 0.00 42.46 39.34 1wft s ILE 91 CO 0.08 0.50 0.62 -0.69 0.00 0.00 0.00 174.94 175.45 1wft s VAL 92 N 0.03 4.68 0.18 2.92 1.01 -1.26 -0.58 120.40 127.39 1wft s VAL 92 Ca 0.06 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1wft s VAL 92 Cb -0.12 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1wft s VAL 92 CO 0.01 0.53 0.06 -0.36 0.00 0.00 0.00 175.10 175.33 1wft s PHE 93 N -0.99 1.18 -0.26 5.22 0.08 -0.64 -3.23 117.98 119.34 1wft s PHE 93 Ca 0.31 -1.17 -0.13 0.00 0.12 0.00 0.00 56.93 56.06 1wft s PHE 93 Cb -0.20 -0.66 0.09 0.00 -0.57 0.00 0.00 43.02 41.68 1wft s PHE 93 CO 0.20 -0.39 0.62 1.03 -0.10 0.00 0.00 175.22 176.58 1wft s ARG 94 N -4.01 0.60 -0.03 0.44 0.52 -1.11 -3.12 118.95 112.23 1wft s ARG 94 Ca 0.29 1.21 0.05 0.00 -0.52 0.00 0.00 55.73 56.76 1wft s ARG 94 Cb 0.07 0.33 -0.01 0.00 0.52 0.00 0.00 34.95 35.86 1wft s ARG 94 CO 0.07 -0.17 -0.18 0.42 0.02 0.00 0.00 175.30 175.46 1wft s ILE 95 N 2.02 1.43 0.15 1.52 1.01 -1.03 -1.06 121.20 125.23 1wft s ILE 95 Ca -0.08 -0.74 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 1wft s ILE 95 Cb -0.08 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 1wft s ILE 95 CO -0.18 0.41 0.22 -0.55 0.00 0.00 0.00 174.94 174.84 1wft s SER 96 N -0.14 0.11 0.32 3.58 0.15 -1.16 -1.38 113.70 115.19 1wft s SER 96 Ca 0.00 -0.92 0.07 0.00 0.70 0.00 0.00 55.95 55.80 1wft s SER 96 Cb -0.10 0.39 -0.06 0.00 -1.71 0.00 0.00 66.02 64.54 1wft s SER 96 CO 0.01 -0.84 -0.04 0.00 1.20 0.00 0.00 173.24 173.57 1wft s ALA 97 N -3.97 2.61 -0.04 5.45 0.00 -1.26 -2.52 121.76 122.02 1wft s ALA 97 Ca 0.17 -2.03 0.01 0.00 0.00 0.00 0.00 51.96 50.12 1wft s ALA 97 Cb 0.04 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 1wft s ALA 97 CO -0.01 -0.07 -0.06 0.21 0.00 0.00 0.00 175.76 175.84 1wft s LYS 98 N -3.72 2.72 0.00 0.00 2.20 -0.74 -4.10 119.74 116.11 1wft s LYS 98 Ca 0.32 -0.59 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 1wft s LYS 98 Cb 0.05 -2.59 0.00 0.00 -1.51 0.00 0.00 37.83 33.78 1wft s LYS 98 CO 0.14 0.65 0.00 -1.71 -0.36 0.00 0.00 175.35 174.07 1wft n ASN 99 N 1.96 0.00 0.11 1.43 5.15 -1.02 -2.04 115.26 120.85 1wft n ASN 99 Ca -0.17 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.81 1wft n ASN 99 Cb 0.53 -0.06 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 1wft n ASN 99 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1wft n GLU 100 N -2.23 0.00 -0.07 1.20 1.02 -1.26 -4.29 120.64 115.01 1wft n GLU 100 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1wft n GLU 100 Cb 0.00 -0.13 -0.10 0.00 -0.02 0.00 0.00 31.44 31.19 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 0.00 0.00 3.49 1.79 -1.98 -3.51 116.57 116.37 1wft h LYS 101 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wft h LYS 101 Cb 0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1wft h LYS 101 CO 0.00 0.78 0.00 0.41 -1.08 0.00 0.00 179.45 179.56 1wft n GLY 102 N 1.63 1.67 3.61 3.86 0.00 -1.26 -5.16 105.19 109.53 1wft n GLY 102 Ca -0.10 0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 1.52 2.68 0.00 1.61 1.51 -1.26 -2.44 117.35 120.97 1wft s TYR 103 Ca 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 1wft s TYR 103 Cb 0.00 -1.26 0.00 0.00 -0.11 0.00 0.00 41.96 40.59 1wft s TYR 103 CO 0.00 0.56 0.00 0.41 -1.11 0.00 0.00 175.55 175.41 1wft n GLY 104 N -0.34 1.19 3.72 0.71 0.00 -1.26 -4.87 105.19 104.34 1wft n GLY 104 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 2.26 4.36 -0.15 1.61 0.04 -1.26 -5.02 135.00 136.84 1wft s PRO 105 Ca 0.00 2.04 -0.04 0.00 0.04 0.00 0.00 61.00 63.03 1wft s PRO 105 Cb 0.00 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.27 1wft s PRO 105 CO 0.00 -0.35 0.00 0.00 0.04 0.00 0.00 177.00 176.69 1wft s ALA 106 N 0.74 3.21 -0.39 8.56 0.00 -1.26 -4.16 121.76 128.45 1wft s ALA 106 Ca 0.61 -0.79 -0.27 0.00 0.00 0.00 0.00 51.96 51.51 1wft s ALA 106 Cb -0.36 -1.65 0.02 0.00 0.00 0.00 0.00 23.12 21.13 1wft s ALA 106 CO 0.33 0.30 1.00 0.99 0.00 0.00 0.00 175.76 178.39 1wft s THR 107 N 0.03 4.47 0.12 0.00 2.01 -0.48 -4.85 115.64 116.96 1wft s THR 107 Ca 0.03 1.26 -0.06 0.00 0.31 0.00 0.00 61.69 63.22 1wft s THR 107 Cb -0.13 -4.42 -0.06 0.00 0.01 0.00 0.00 72.50 67.90 1wft s THR 107 CO 0.02 -0.66 0.39 -1.58 -0.69 0.00 0.00 174.62 172.09 1wft s GLN 108 N 3.76 3.66 -0.07 4.92 0.74 -1.26 -2.47 119.66 128.94 1wft s GLN 108 Ca 0.42 -0.00 -0.30 0.00 0.05 0.00 0.00 55.36 55.53 1wft s GLN 108 Cb -0.11 -2.89 0.07 0.00 1.10 0.00 0.00 33.01 31.19 1wft s GLN 108 CO 0.22 0.49 0.67 -1.50 -0.55 0.00 0.00 175.29 174.62 1wft s ILE 109 N -1.58 0.00 -0.31 -2.34 2.07 -1.18 -4.99 121.20 112.87 1wft s ILE 109 Ca 0.39 -0.02 0.03 0.00 -1.41 0.00 0.00 60.65 59.64 1wft s ILE 109 Cb -0.13 -0.98 0.08 0.00 0.13 0.00 0.00 42.46 41.56 1wft s ILE 109 CO 0.22 -0.01 -0.02 -0.13 -1.91 0.00 0.00 174.94 173.10 1wft s ARG 110 N -1.03 1.90 -0.49 3.50 0.52 -1.25 -1.62 118.95 120.48 1wft s ARG 110 Ca -0.10 -1.60 -0.24 0.00 -0.52 0.00 0.00 55.73 53.27 1wft s ARG 110 Cb -0.01 -3.09 0.03 0.00 0.52 0.00 0.00 34.95 32.41 1wft s ARG 110 CO 0.09 -0.76 0.86 -0.46 0.02 0.00 0.00 175.30 175.04 1wft s TRP 111 N 1.02 2.92 -0.19 -0.53 -0.00 0.26 -4.73 118.94 117.69 1wft s TRP 111 Ca 0.01 0.11 -0.28 0.00 -0.00 0.00 0.00 56.10 55.94 1wft s TRP 111 Cb -0.20 -3.85 -0.05 0.00 -0.00 0.00 0.00 33.47 29.37 1wft s TRP 111 CO -0.06 -1.13 2.13 -0.51 -0.00 0.00 0.00 176.95 177.37 1wft s LEU 112 N 3.57 3.62 0.33 5.86 1.43 -1.26 0.03 118.68 132.26 1wft s LEU 112 Ca 0.31 1.96 0.08 0.00 -1.03 0.00 0.00 54.13 55.45 1wft s LEU 112 Cb -0.12 -3.52 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 1wft s LEU 112 CO 0.22 -1.78 0.11 0.00 0.23 0.00 0.00 176.35 175.13 1wft s GLN 113 N 5.95 2.33 0.00 1.70 1.03 -1.04 -4.94 119.66 124.68 1wft s GLN 113 Ca 0.96 -1.57 0.00 0.00 0.04 0.00 0.00 55.36 54.79 1wft s GLN 113 Cb -0.33 -2.14 0.00 0.00 0.03 0.00 0.00 33.01 30.57 1wft s GLN 113 CO 0.36 0.13 0.00 0.41 -2.54 0.00 0.00 175.29 173.65 1wft n GLY 114 N -1.10 0.28 3.20 2.60 0.00 -1.26 -4.70 105.19 104.20 1wft n GLY 114 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1wft n GLY 114 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wft s ASN 115 N 0.19 2.74 0.01 1.61 2.47 -1.26 -5.12 114.94 115.58 1wft s ASN 115 Ca 0.00 -0.47 -0.05 0.00 0.42 0.00 0.00 52.86 52.76 1wft s ASN 115 Cb 0.00 -1.00 -0.05 0.00 -1.45 0.00 0.00 41.25 38.76 1wft s ASN 115 CO 0.00 0.17 0.25 -0.55 -3.72 0.00 0.00 177.10 173.25 1wft s SER 116 N 0.16 6.45 -0.06 -4.21 0.15 -1.26 -5.08 113.70 109.85 1wft s SER 116 Ca -0.11 0.49 -0.26 0.00 0.70 0.00 0.00 55.95 56.78 1wft s SER 116 Cb -0.15 -2.06 -0.03 0.00 -1.71 0.00 0.00 66.02 62.07 1wft s SER 116 CO 0.05 0.25 0.82 -0.75 1.20 0.00 0.00 173.24 174.81 1wft s LYS 117 N -1.86 4.46 0.31 5.44 2.36 -1.26 -5.06 119.74 124.13 1wft s LYS 117 Ca 0.28 1.10 0.10 0.00 -2.55 0.00 0.00 55.97 54.90 1wft s LYS 117 Cb -0.13 -3.47 -0.06 0.00 -1.05 0.00 0.00 37.83 33.12 1wft s LYS 117 CO 0.17 -0.04 -0.10 -1.12 1.55 0.00 0.00 175.35 175.81 1wft s SER 118 N 0.93 3.86 0.00 1.43 0.01 -1.26 -4.97 113.70 113.71 1wft s SER 118 Ca 0.43 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1wft s SER 118 Cb -0.19 -0.42 0.00 0.00 0.21 0.00 0.00 66.02 65.62 1wft s SER 118 CO 0.21 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1wft n GLY 119 N -0.78 0.78 0.20 3.44 0.00 -1.26 -5.03 105.19 102.53 1wft n GLY 119 Ca -0.05 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 45.89 1wft n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wft h PRO 120 N 0.00 0.00 -6.61 1.61 0.13 -2.05 -3.47 132.00 121.61 1wft h PRO 120 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 1wft h PRO 120 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 1wft h PRO 120 CO 0.00 0.33 -0.83 -1.13 -0.23 0.00 0.00 178.00 176.14 1wft n SER 121 N -3.68 -2.90 -4.60 1.44 3.41 -1.26 -4.88 113.62 101.15 1wft n SER 121 Ca -0.01 -0.97 -0.43 0.00 -0.26 0.00 0.00 58.87 57.20 1wft n SER 121 Cb 0.44 -3.03 -0.03 0.00 -0.26 0.00 0.00 64.21 61.33 1wft n SER 121 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wft s SER 122 N -3.54 6.67 0.00 4.04 0.01 -1.26 -5.37 113.70 114.26 1wft s SER 122 Ca 0.56 0.54 0.00 0.00 1.31 0.00 0.00 55.95 58.36 1wft s SER 122 Cb -0.30 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.44 1wft s SER 122 CO 0.90 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 174.20