#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wft n SER 2 N 0.00 -0.90 -4.45 1.61 7.64 -1.26 -4.92 113.62 111.34 1wft n SER 2 Ca 0.00 0.47 -0.44 0.00 1.01 0.00 0.00 58.87 59.91 1wft n SER 2 Cb 0.00 -1.30 -0.06 0.00 -1.01 0.00 0.00 64.21 61.84 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 -1.94 6.23 0.00 6.43 0.01 -1.26 -4.84 113.70 118.33 1wft s SER 3 Ca 0.64 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1wft s SER 3 Cb -0.27 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1wft s SER 3 CO 0.60 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.92 1wft n GLY 4 N 5.18 1.68 0.36 3.44 0.00 -1.26 -4.70 105.19 109.88 1wft n GLY 4 Ca -0.06 -1.37 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 1wft n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wft h SER 5 N 0.00 -1.60 -3.60 1.61 0.87 -2.02 -3.41 113.55 105.41 1wft h SER 5 Ca 0.00 0.22 -0.36 0.00 -1.23 0.00 0.00 61.79 60.42 1wft h SER 5 Cb 0.00 0.67 -0.32 0.00 -0.44 0.00 0.00 62.40 62.31 1wft h SER 5 CO 0.00 -0.28 -0.76 -0.94 -0.53 0.00 0.00 176.83 174.33 1wft s SER 6 N -4.75 0.64 0.16 6.23 1.04 -1.26 -5.11 113.70 110.64 1wft s SER 6 Ca -0.11 -0.08 0.06 0.00 0.48 0.00 0.00 55.95 56.30 1wft s SER 6 Cb 0.08 -0.26 -0.04 0.00 0.10 0.00 0.00 66.02 65.90 1wft s SER 6 CO 0.50 -0.04 0.09 -0.83 0.98 0.00 0.00 173.24 173.94 1wft s GLY 7 N 0.65 1.75 0.49 7.32 0.00 -1.26 -4.99 107.32 111.27 1wft s GLY 7 Ca -0.07 -1.24 0.32 0.00 0.00 0.00 0.00 44.72 43.72 1wft s GLY 7 CO -0.01 -1.25 1.94 -0.56 0.00 0.00 0.00 173.10 173.22 1wft h PRO 8 N 2.59 0.00 0.00 2.90 0.13 -1.86 -3.49 132.00 132.26 1wft h PRO 8 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wft h PRO 8 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wft h PRO 8 CO 0.62 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.80 1wft n GLY 9 N -0.02 3.01 3.90 1.56 0.00 -1.26 -4.63 105.19 107.75 1wft n GLY 9 Ca 0.01 -2.02 -0.27 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.48 3.87 -0.07 4.61 0.00 -1.26 -4.31 121.76 122.12 1wft s ALA 10 Ca 0.00 -1.06 -0.30 0.00 0.00 0.00 0.00 51.96 50.60 1wft s ALA 10 Cb 0.00 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 1wft s ALA 10 CO 0.00 0.55 1.50 -1.25 0.00 0.00 0.00 175.76 176.56 1wft s PRO 11 N -3.14 4.21 0.32 0.00 0.04 -1.26 -4.18 135.00 130.99 1wft s PRO 11 Ca 0.34 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.46 1wft s PRO 11 Cb -0.11 -3.84 -0.03 0.00 0.04 0.00 0.00 34.50 30.56 1wft s PRO 11 CO 0.27 -0.76 0.27 0.45 0.04 0.00 0.00 177.00 177.27 1wft s SER 12 N 2.67 5.27 -0.99 6.66 0.15 -0.98 -4.62 113.70 121.87 1wft s SER 12 Ca 0.67 -0.49 -0.05 0.00 0.70 0.00 0.00 55.95 56.78 1wft s SER 12 Cb -0.30 -1.01 0.01 0.00 -1.71 0.00 0.00 66.02 63.01 1wft s SER 12 CO 0.25 -0.31 0.69 0.41 1.20 0.00 0.00 173.24 175.49 1wft n THR 13 N -1.33 -1.86 -2.55 6.45 -1.04 -1.26 -1.47 114.28 111.22 1wft n THR 13 Ca -0.03 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.55 1wft n THR 13 Cb 0.60 -3.07 -0.02 0.00 -1.82 0.00 0.00 70.33 66.01 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 4.15 -0.08 12.58 1.01 -1.26 -4.13 120.40 129.53 1wft s VAL 14 Ca 0.34 1.18 0.05 0.00 0.00 0.00 0.00 61.98 63.55 1wft s VAL 14 Cb -0.15 -4.52 -0.01 0.00 0.00 0.00 0.00 36.38 31.70 1wft s VAL 14 CO 0.43 -0.95 -0.24 -0.13 0.00 0.00 0.00 175.10 174.21 1wft s ARG 15 N 4.53 2.79 -0.19 2.72 0.52 -1.03 -4.99 118.95 123.30 1wft s ARG 15 Ca 0.51 -0.88 -0.03 0.00 -0.52 0.00 0.00 55.73 54.81 1wft s ARG 15 Cb -0.09 -2.25 -0.01 0.00 0.52 0.00 0.00 34.95 33.12 1wft s ARG 15 CO 0.31 0.30 -0.07 0.42 0.02 0.00 0.00 175.30 176.28 1wft s ILE 16 N 0.04 3.24 -0.16 1.52 1.01 -1.26 -2.93 121.20 122.66 1wft s ILE 16 Ca -0.09 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1wft s ILE 16 Cb -0.15 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.88 1wft s ILE 16 CO 0.06 0.46 -0.16 -0.44 0.00 0.00 0.00 174.94 174.86 1wft s SER 17 N 1.10 3.55 -0.09 3.58 0.01 -1.06 -5.02 113.70 115.77 1wft s SER 17 Ca 0.01 -0.50 -0.30 0.00 1.31 0.00 0.00 55.95 56.47 1wft s SER 17 Cb -0.15 -1.54 -0.04 0.00 0.21 0.00 0.00 66.02 64.50 1wft s SER 17 CO -0.01 0.07 1.53 -0.75 0.41 0.00 0.00 173.24 174.49 1wft s LYS 18 N 0.87 4.20 0.05 12.44 2.20 -1.26 -1.91 119.74 136.33 1wft s LYS 18 Ca -0.04 2.02 0.00 0.00 -0.36 0.00 0.00 55.97 57.59 1wft s LYS 18 Cb -0.15 -3.92 -0.04 0.00 -1.51 0.00 0.00 37.83 32.21 1wft s LYS 18 CO -0.01 -0.80 0.18 1.21 -0.36 0.00 0.00 175.35 175.56 1wft s ASN 19 N 2.90 6.17 0.32 1.43 2.47 0.17 -4.92 114.94 123.48 1wft s ASN 19 Ca 0.67 0.22 0.06 0.00 0.42 0.00 0.00 52.86 54.23 1wft s ASN 19 Cb -0.30 -1.86 0.72 0.00 -1.45 0.00 0.00 41.25 38.37 1wft s ASN 19 CO 0.25 0.19 1.83 1.62 -3.72 0.00 0.00 177.10 177.26 1wft h VAL 20 N 2.32 0.81 0.00 -5.21 3.04 -2.00 0.76 116.25 115.96 1wft h VAL 20 Ca -0.46 -0.28 -0.16 0.00 -1.01 0.00 0.00 66.70 64.79 1wft h VAL 20 Cb 1.16 -0.06 -0.02 0.00 -2.01 0.00 0.00 31.29 30.36 1wft h VAL 20 CO 0.73 0.15 -0.77 0.44 -1.01 0.00 0.00 177.57 177.10 1wft h ASP 21 N 0.80 0.00 0.00 3.17 3.32 -1.99 -3.49 116.42 118.23 1wft h ASP 21 Ca 0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.56 1wft h ASP 21 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1wft h ASP 21 CO -0.28 0.77 0.00 0.61 -1.72 0.00 0.00 179.24 178.61 1wft n GLY 22 N 0.70 -0.46 3.40 2.75 0.00 0.26 -4.66 105.19 107.18 1wft n GLY 22 Ca -0.01 0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 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 2.69 -0.38 -0.61 1.01 0.07 0.42 121.20 124.40 1wft s ILE 23 Ca 0.00 -0.86 -0.00 0.00 0.00 0.00 0.00 60.65 59.79 1wft s ILE 23 Cb 0.00 -2.03 0.11 0.00 0.01 0.00 0.00 42.46 40.55 1wft s ILE 23 CO 0.00 0.58 0.14 -2.28 0.00 0.00 0.00 174.94 173.38 1wft s HIS 24 N -0.52 3.65 0.21 3.97 2.46 -0.80 -0.26 115.29 123.99 1wft s HIS 24 Ca 0.07 -2.62 -0.24 0.00 0.47 0.00 0.00 55.06 52.74 1wft s HIS 24 Cb -0.11 -3.10 -0.08 0.00 -0.13 0.00 0.00 32.58 29.16 1wft s HIS 24 CO 0.01 -0.96 0.79 -1.17 -2.47 0.00 0.00 174.74 170.94 1wft s LEU 25 N 1.06 4.49 0.08 8.88 2.96 0.43 -2.57 118.68 134.01 1wft s LEU 25 Ca 0.09 1.62 -0.15 0.00 -0.22 0.00 0.00 54.13 55.47 1wft s LEU 25 Cb -0.21 -3.49 0.03 0.00 0.50 0.00 0.00 46.19 43.01 1wft s LEU 25 CO -0.06 0.12 0.35 -0.44 -1.32 0.00 0.00 176.35 175.00 1wft s SER 26 N -1.36 -0.16 0.28 3.68 0.01 -1.15 -0.36 113.70 114.63 1wft s SER 26 Ca 0.40 -0.26 -0.19 0.00 1.31 0.00 0.00 55.95 57.20 1wft s SER 26 Cb -0.21 0.41 0.06 0.00 0.21 0.00 0.00 66.02 66.50 1wft s SER 26 CO 0.25 -0.73 0.92 -1.66 0.41 0.00 0.00 173.24 172.42 1wft s TRP 27 N -3.19 0.08 0.13 2.43 -2.14 0.08 -2.47 118.94 113.85 1wft s TRP 27 Ca -0.01 -0.60 0.06 0.00 2.66 0.00 0.00 56.10 58.21 1wft s TRP 27 Cb 0.01 0.76 -0.04 0.00 -3.10 0.00 0.00 33.47 31.10 1wft s TRP 27 CO -0.07 -1.22 -0.13 -1.21 -2.66 0.00 0.00 176.95 171.66 1wft s GLU 28 N -2.33 1.04 0.60 3.25 2.02 -0.54 -4.72 118.70 118.02 1wft s GLU 28 Ca 0.18 -1.29 -0.17 0.00 0.02 0.00 0.00 54.97 53.71 1wft s GLU 28 Cb -0.04 -0.86 -0.03 0.00 0.10 0.00 0.00 34.13 33.30 1wft s GLU 28 CO 0.08 0.15 1.12 -1.25 0.02 0.00 0.00 175.26 175.38 1wft s PRO 29 N -2.91 3.08 0.00 0.39 0.04 -1.26 -2.31 135.00 132.03 1wft s PRO 29 Ca 0.11 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1wft s PRO 29 Cb -0.03 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1wft s PRO 29 CO 0.03 -1.05 0.00 -0.35 0.04 0.00 0.00 177.00 175.67 1wft n PRO 30 N -1.85 0.45 -0.80 0.56 -0.04 -1.26 -4.56 135.00 127.50 1wft n PRO 30 Ca 0.11 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.29 1wft n PRO 30 Cb 0.51 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.95 1wft n PRO 30 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1wft n THR 31 N -1.06 1.01 -0.32 0.52 -1.04 -1.26 -4.75 114.28 107.38 1wft n THR 31 Ca 0.00 -0.25 -0.08 0.00 -2.04 0.00 0.00 64.05 61.67 1wft n THR 31 Cb 0.00 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 1wft n THR 31 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1wft n SER 32 N 1.10 -0.81 0.02 8.00 7.64 -1.26 -1.85 113.62 126.46 1wft n SER 32 Ca 0.10 1.49 -0.13 0.00 1.01 0.00 0.00 58.87 61.35 1wft n SER 32 Cb 0.13 -0.24 -0.09 0.00 -1.01 0.00 0.00 64.21 63.00 1wft n SER 32 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1wft h PRO 33 N 0.00 -0.08 -6.08 1.43 0.13 -1.99 -3.46 132.00 121.94 1wft h PRO 33 Ca 0.12 0.01 -0.40 0.00 -0.87 0.00 0.00 66.00 64.85 1wft h PRO 33 Cb 0.31 0.02 -0.19 0.00 0.13 0.00 0.00 31.00 31.28 1wft h PRO 33 CO -0.72 0.38 -0.61 0.43 -0.23 0.00 0.00 178.00 177.25 1wft n SER 34 N -4.90 -0.16 0.00 1.44 7.64 -0.77 -4.21 113.62 112.65 1wft n SER 34 Ca -0.08 -0.82 0.00 0.00 1.01 0.00 0.00 58.87 58.97 1wft n SER 34 Cb 0.25 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1wft n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wft n GLY 35 N -1.52 3.75 2.98 0.23 0.00 -1.26 -4.34 105.19 105.02 1wft n GLY 35 Ca -0.09 0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 2.62 -0.39 1.61 0.01 -1.26 -5.10 114.94 108.43 1wft s ASN 36 Ca 0.00 -0.48 -0.17 0.00 -0.71 0.00 0.00 52.86 51.50 1wft s ASN 36 Cb 0.00 -1.09 0.01 0.00 0.41 0.00 0.00 41.25 40.58 1wft s ASN 36 CO 0.00 -0.09 0.43 -0.63 -1.51 0.00 0.00 177.10 175.31 1wft s ILE 37 N 1.54 5.09 -0.12 0.60 -1.09 -1.26 -4.25 121.20 121.71 1wft s ILE 37 Ca 0.04 -0.14 -0.12 0.00 -2.23 0.00 0.00 60.65 58.20 1wft s ILE 37 Cb -0.13 -3.98 -0.10 0.00 -1.58 0.00 0.00 42.46 36.67 1wft s ILE 37 CO -0.10 -0.31 0.29 -0.07 -1.23 0.00 0.00 174.94 173.52 1wft h LEU 38 N 9.00 0.00 -7.38 2.97 3.38 -1.72 -3.50 115.31 118.06 1wft h LEU 38 Ca -0.27 -0.39 0.18 0.00 0.09 0.00 0.00 57.88 57.48 1wft h LEU 38 Cb 1.12 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.76 1wft h LEU 38 CO 0.77 0.73 0.54 -1.61 0.09 0.00 0.00 178.44 178.95 1wft s GLU 39 N -1.85 0.95 0.38 1.13 2.02 -1.26 -4.99 118.70 115.08 1wft s GLU 39 Ca -0.09 -0.48 0.08 0.00 0.02 0.00 0.00 54.97 54.51 1wft s GLU 39 Cb -0.01 0.36 -0.05 0.00 0.10 0.00 0.00 34.13 34.52 1wft s GLU 39 CO 0.29 -0.43 0.10 0.71 0.02 0.00 0.00 175.26 175.95 1wft s TYR 40 N -3.10 2.59 -0.18 1.61 1.51 -1.15 -2.22 117.35 116.41 1wft s TYR 40 Ca 0.10 -0.52 -0.28 0.00 -1.01 0.00 0.00 57.07 55.36 1wft s TYR 40 Cb -0.01 -1.75 0.09 0.00 -0.11 0.00 0.00 41.96 40.19 1wft s TYR 40 CO -0.02 0.33 0.81 -1.54 -1.11 0.00 0.00 175.55 174.01 1wft s SER 41 N -3.82 -0.61 -0.09 2.29 1.04 -1.25 -0.74 113.70 110.52 1wft s SER 41 Ca 0.38 0.95 -0.03 0.00 0.48 0.00 0.00 55.95 57.73 1wft s SER 41 Cb 0.02 0.89 -0.03 0.00 0.10 0.00 0.00 66.02 67.00 1wft s SER 41 CO 0.21 -0.36 0.03 0.00 0.98 0.00 0.00 173.24 174.10 1wft s ALA 42 N -0.38 3.41 0.30 5.32 0.00 0.18 -3.85 121.76 126.74 1wft s ALA 42 Ca -0.03 -0.77 0.10 0.00 0.00 0.00 0.00 51.96 51.25 1wft s ALA 42 Cb -0.03 -1.58 -0.06 0.00 0.00 0.00 0.00 23.12 21.46 1wft s ALA 42 CO 0.03 0.60 -0.13 0.71 0.00 0.00 0.00 175.76 176.96 1wft s TYR 43 N -0.92 2.26 -0.14 0.00 1.51 0.56 -0.22 117.35 120.40 1wft s TYR 43 Ca 0.14 -0.47 -0.05 0.00 -1.01 0.00 0.00 57.07 55.68 1wft s TYR 43 Cb -0.11 -1.17 0.07 0.00 -0.11 0.00 0.00 41.96 40.63 1wft s TYR 43 CO 0.03 0.58 0.28 -1.17 -1.11 0.00 0.00 175.55 174.15 1wft s LEU 44 N -3.53 -0.34 0.04 -1.29 2.96 -0.71 -2.55 118.68 113.26 1wft s LEU 44 Ca 0.31 0.61 -0.30 0.00 -0.22 0.00 0.00 54.13 54.52 1wft s LEU 44 Cb -0.00 0.76 -0.09 0.00 0.50 0.00 0.00 46.19 47.36 1wft s LEU 44 CO 0.15 -0.24 1.94 0.00 -1.32 0.00 0.00 176.35 176.88 1wft s ALA 45 N 2.44 3.60 0.00 5.97 0.00 -1.19 -2.74 121.76 129.84 1wft s ALA 45 Ca 0.01 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1wft s ALA 45 Cb -0.12 -3.83 -0.00 0.00 0.00 0.00 0.00 23.12 19.16 1wft s ALA 45 CO -0.09 -1.54 -0.02 0.96 0.00 0.00 0.00 175.76 175.08 1wft s ILE 46 N 4.30 0.12 -0.15 0.00 -5.25 -1.06 -1.44 121.20 117.71 1wft s ILE 46 Ca 0.87 -0.14 -0.34 0.00 -0.99 0.00 0.00 60.65 60.05 1wft s ILE 46 Cb -0.42 -0.12 0.14 0.00 2.95 0.00 0.00 42.46 45.00 1wft s ILE 46 CO 0.41 -0.01 1.25 0.00 -1.79 0.00 0.00 174.94 174.79 1wft s ARG 47 N -0.16 0.30 0.33 0.37 1.70 -1.26 -4.68 118.95 115.55 1wft s ARG 47 Ca -0.01 -0.13 -0.28 0.00 -0.47 0.00 0.00 55.73 54.84 1wft s ARG 47 Cb -0.01 0.12 -0.10 0.00 -0.57 0.00 0.00 34.95 34.39 1wft s ARG 47 CO -0.00 -0.13 1.25 -0.08 -1.08 0.00 0.00 175.30 175.26 1wft s THR 48 N -2.38 2.89 -0.43 4.99 -1.32 -1.26 -4.77 115.64 113.37 1wft s THR 48 Ca 0.11 0.88 -0.16 0.00 -1.21 0.00 0.00 61.69 61.31 1wft s THR 48 Cb 0.01 -3.55 0.03 0.00 -1.51 0.00 0.00 72.50 67.48 1wft s THR 48 CO -0.04 0.20 0.41 0.00 -2.21 0.00 0.00 174.62 172.97 1wft s ALA 49 N -1.18 3.46 -0.13 11.08 0.00 -1.26 -4.91 121.76 128.82 1wft s ALA 49 Ca 0.49 -1.69 -0.14 0.00 0.00 0.00 0.00 51.96 50.62 1wft s ALA 49 Cb -0.37 -3.03 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 1wft s ALA 49 CO 0.49 -1.61 -0.28 0.94 0.00 0.00 0.00 175.76 175.30 1wft n GLN 50 N 5.46 0.42 -4.53 0.00 7.27 -1.26 -5.09 117.38 119.66 1wft n GLN 50 Ca -0.09 0.17 -0.26 0.00 0.07 0.00 0.00 57.00 56.89 1wft n GLN 50 Cb 0.46 -1.24 -0.08 0.00 2.41 0.00 0.00 30.24 31.79 1wft n GLN 50 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wft s MET 51 N -2.69 1.91 0.32 3.69 0.23 -1.26 -5.02 119.30 116.49 1wft s MET 51 Ca -0.24 -2.16 0.09 0.00 -1.03 0.00 0.00 55.69 52.35 1wft s MET 51 Cb 0.04 -0.74 0.95 0.00 -1.53 0.00 0.00 34.83 33.55 1wft s MET 51 CO 0.34 -0.42 1.54 0.00 -2.03 0.00 0.00 175.02 174.45 1wft n GLN 52 N -0.91 -0.07 -3.64 3.16 10.64 -1.26 -4.56 117.38 120.74 1wft n GLN 52 Ca -0.07 1.42 -0.07 0.00 -1.83 0.00 0.00 57.00 56.46 1wft n GLN 52 Cb 0.65 -2.36 -0.07 0.00 -0.86 0.00 0.00 30.24 27.60 1wft n GLN 52 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1wft s ASP 53 N -4.84 -0.45 -0.03 2.61 2.15 -1.26 -4.52 116.67 110.33 1wft s ASP 53 Ca -0.11 0.81 0.02 0.00 0.43 0.00 0.00 52.55 53.70 1wft s ASP 53 Cb 0.30 0.93 -0.03 0.00 -0.30 0.00 0.00 42.92 43.82 1wft s ASP 53 CO 0.76 -0.14 -0.06 0.20 -0.17 0.00 0.00 175.17 175.77 1wft s ASN 54 N 0.55 4.73 -0.92 -0.34 0.01 -1.26 -5.04 114.94 112.67 1wft s ASN 54 Ca -0.00 -0.06 -0.24 0.00 -0.71 0.00 0.00 52.86 51.84 1wft s ASN 54 Cb -0.05 -1.17 -0.05 0.00 0.41 0.00 0.00 41.25 40.39 1wft s ASN 54 CO -0.09 0.32 1.95 -2.16 -1.51 0.00 0.00 177.10 175.60 1wft s PRO 55 N -1.16 2.55 -0.11 -0.60 0.04 -1.26 -4.86 135.00 129.60 1wft s PRO 55 Ca 0.15 -0.34 -0.30 0.00 0.04 0.00 0.00 61.00 60.55 1wft s PRO 55 Cb -0.11 -5.07 0.11 0.00 0.04 0.00 0.00 34.50 29.46 1wft s PRO 55 CO 0.05 -3.42 0.89 -1.12 0.04 0.00 0.00 177.00 173.44 1wft s SER 56 N 7.95 -0.46 -0.62 6.66 0.01 -1.26 -5.10 113.70 120.87 1wft s SER 56 Ca 0.70 0.48 -0.27 0.00 1.31 0.00 0.00 55.95 58.17 1wft s SER 56 Cb -0.06 0.38 -0.01 0.00 0.21 0.00 0.00 66.02 66.54 1wft s SER 56 CO 0.00 -0.45 1.77 -1.10 0.41 0.00 0.00 173.24 173.87 1wft s GLN 57 N -1.26 2.73 -0.37 12.44 1.11 -1.26 -4.87 119.66 128.19 1wft s GLN 57 Ca -0.04 0.50 -0.33 0.00 0.01 0.00 0.00 55.36 55.50 1wft s GLN 57 Cb -0.00 -4.35 -0.14 0.00 -1.01 0.00 0.00 33.01 27.51 1wft s GLN 57 CO 0.04 -2.62 1.52 1.28 0.01 0.00 0.00 175.29 175.52 1wft n LEU 58 N 12.17 0.60 -4.78 2.90 4.77 -1.26 -4.85 117.00 126.55 1wft n LEU 58 Ca 0.18 0.55 -0.37 0.00 -0.03 0.00 0.00 56.01 56.34 1wft n LEU 58 Cb 0.51 -0.66 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 1wft n LEU 58 CO 0.71 -0.57 0.67 0.68 -1.33 0.00 0.00 177.39 177.55 1wft s VAL 59 N 4.13 4.08 0.05 4.08 -7.23 -1.26 -5.00 120.40 119.25 1wft s VAL 59 Ca 0.87 1.69 0.08 0.00 -1.81 0.00 0.00 61.98 62.81 1wft s VAL 59 Cb -1.11 -3.92 -0.03 0.00 0.56 0.00 0.00 36.38 31.88 1wft s VAL 59 CO 0.50 0.11 -0.22 -0.36 -0.31 0.00 0.00 175.10 174.82 1wft s PHE 60 N -1.63 1.95 -0.01 2.82 0.40 -1.26 -2.56 117.98 117.68 1wft s PHE 60 Ca 0.52 -0.39 0.07 0.00 -0.60 0.00 0.00 56.93 56.53 1wft s PHE 60 Cb -0.20 -1.15 -0.02 0.00 0.51 0.00 0.00 43.02 42.17 1wft s PHE 60 CO 0.25 0.12 -0.22 0.00 0.70 0.00 0.00 175.22 176.07 1wft s MET 61 N -1.27 1.74 0.13 0.44 0.23 -1.11 -4.89 119.30 114.57 1wft s MET 61 Ca 0.09 -0.79 -0.31 0.00 -1.03 0.00 0.00 55.69 53.64 1wft s MET 61 Cb -0.09 -1.69 -0.10 0.00 -1.53 0.00 0.00 34.83 31.42 1wft s MET 61 CO 0.02 0.46 1.69 0.50 -2.03 0.00 0.00 175.02 175.67 1wft s ARG 62 N -0.56 4.17 -0.18 3.16 3.52 -1.26 -1.74 118.95 126.07 1wft s ARG 62 Ca 0.08 2.45 0.06 0.00 -0.13 0.00 0.00 55.73 58.20 1wft s ARG 62 Cb -0.08 -3.42 -0.15 0.00 -1.56 0.00 0.00 34.95 29.73 1wft s ARG 62 CO -0.01 -0.74 -0.08 0.44 -0.81 0.00 0.00 175.30 174.10 1wft n ILE 63 N 4.45 1.11 -3.86 4.11 -5.35 0.69 -4.94 119.36 115.57 1wft n ILE 63 Ca 0.16 -0.52 -0.11 0.00 -0.27 0.00 0.00 62.75 62.00 1wft n ILE 63 Cb 0.39 -0.96 -0.11 0.00 -1.74 0.00 0.00 39.64 37.22 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 -2.39 -0.02 -0.10 4.28 6.14 -1.13 -5.00 117.35 119.13 1wft s TYR 64 Ca -0.19 0.05 0.01 0.00 0.64 0.00 0.00 57.07 57.58 1wft s TYR 64 Cb 0.06 -0.02 0.02 0.00 0.42 0.00 0.00 41.96 42.44 1wft s TYR 64 CO 0.53 -0.18 -0.10 0.00 0.64 0.00 0.00 175.55 176.44 1wft n GLY 66 N 4.49 2.09 1.53 0.00 0.00 0.08 -4.98 105.19 108.40 1wft n GLY 66 Ca -0.17 -0.90 0.06 0.00 0.00 0.00 0.00 46.02 45.01 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 4.53 0.00 0.99 -0.00 -1.26 -2.93 117.00 118.33 1wft n LEU 67 Ca 0.00 -2.30 0.05 0.00 -0.00 0.00 0.00 56.01 53.77 1wft n LEU 67 Cb 0.00 -0.61 0.32 0.00 -0.00 0.00 0.00 43.42 43.13 1wft n LEU 67 CO 0.00 0.59 0.61 1.17 -0.00 0.00 0.00 177.39 179.76 1wft n LYS 68 N 0.61 0.75 -1.81 1.47 4.81 -1.26 -4.82 118.16 117.91 1wft n LYS 68 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 1wft n LYS 68 Cb 0.93 -1.23 0.00 0.00 0.02 0.00 0.00 35.03 34.75 1wft n LYS 68 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1wft n THR 69 N -0.73 0.00 -3.54 3.15 -2.24 -1.26 -4.76 114.28 104.91 1wft n THR 69 Ca 0.08 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.75 1wft n THR 69 Cb 0.04 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.23 1wft n THR 69 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1wft s SER 70 N -1.49 -0.41 0.30 3.42 0.15 -1.26 -0.74 113.70 113.67 1wft s SER 70 Ca 0.00 0.29 -0.18 0.00 0.70 0.00 0.00 55.95 56.76 1wft s SER 70 Cb 0.00 0.37 0.02 0.00 -1.71 0.00 0.00 66.02 64.70 1wft s SER 70 CO 0.00 -0.49 0.69 0.00 1.20 0.00 0.00 173.24 174.64 1wft s THR 72 N -3.58 1.28 -0.20 0.00 2.01 -1.26 -0.43 115.64 113.47 1wft s THR 72 Ca 0.14 -0.50 -0.04 0.00 0.31 0.00 0.00 61.69 61.60 1wft s THR 72 Cb -0.05 -1.21 -0.02 0.00 0.01 0.00 0.00 72.50 71.24 1wft s THR 72 CO 0.09 0.40 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.70 1wft s VAL 73 N 1.19 3.67 0.46 3.82 1.01 0.64 -4.98 120.40 126.21 1wft s VAL 73 Ca -0.04 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.61 1wft s VAL 73 Cb -0.14 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.61 1wft s VAL 73 CO -0.03 0.43 0.64 0.42 0.00 0.00 0.00 175.10 176.55 1wft s THR 74 N 1.12 2.84 0.20 3.92 -4.23 -1.26 -0.75 115.64 117.49 1wft s THR 74 Ca 0.02 -0.93 -0.16 0.00 -1.18 0.00 0.00 61.69 59.44 1wft s THR 74 Cb -0.15 -2.91 0.20 0.00 1.34 0.00 0.00 72.50 70.98 1wft s THR 74 CO 0.00 0.00 1.61 0.00 -0.54 0.00 0.00 174.62 175.70 1wft h ALA 75 N 0.47 0.26 -0.28 3.99 0.00 -1.97 -1.63 119.26 120.11 1wft h ALA 75 Ca -0.39 0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1wft h ALA 75 Cb 1.28 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 19.62 1wft h ALA 75 CO 0.46 -0.51 -0.17 0.41 0.00 0.00 0.00 179.25 179.44 1wft n GLY 76 N -1.44 -2.29 0.26 0.00 0.00 -1.26 -0.09 105.19 100.37 1wft n GLY 76 Ca 0.06 0.63 -0.06 0.00 0.00 0.00 0.00 46.02 46.65 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 0.85 -0.80 1.61 1.08 -1.86 -2.69 115.11 113.30 1wft h GLN 77 Ca 0.05 -0.09 0.18 0.00 -1.45 0.00 0.00 58.65 57.33 1wft h GLN 77 Cb 0.12 -0.17 -0.11 0.00 -0.05 0.00 0.00 27.48 27.26 1wft h GLN 77 CO -0.27 0.64 0.28 -0.07 -0.95 0.00 0.00 178.83 178.47 1wft h LEU 78 N 0.84 0.19 -1.12 1.46 3.38 0.33 0.15 115.31 120.54 1wft h LEU 78 Ca 0.22 0.14 0.27 0.00 0.09 0.00 0.00 57.88 58.59 1wft h LEU 78 Cb 0.03 0.15 -0.12 0.00 0.09 0.00 0.00 40.66 40.81 1wft h LEU 78 CO -0.04 0.01 0.62 0.00 0.09 0.00 0.00 178.44 179.13 1wft h ALA 79 N 1.63 1.96 0.00 1.53 0.00 -0.14 0.86 119.26 125.10 1wft h ALA 79 Ca 0.47 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.42 1wft h ALA 79 Cb 0.81 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1wft h ALA 79 CO -0.49 -0.44 -0.37 -0.91 0.00 0.00 0.00 179.25 177.04 1wft h ASN 80 N 0.49 0.00 -3.74 0.00 2.35 -0.80 -3.45 115.58 110.43 1wft h ASN 80 Ca 0.65 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.84 1wft h ASN 80 Cb 1.40 0.00 0.12 0.00 0.05 0.00 0.00 38.32 39.89 1wft h ASN 80 CO -0.44 0.37 0.60 0.00 -1.65 0.00 0.00 177.43 176.31 1wft n ALA 81 N -2.28 1.69 -3.02 -0.83 0.00 0.30 -4.13 120.51 112.24 1wft n ALA 81 Ca -0.00 0.27 -0.40 0.00 0.00 0.00 0.00 53.44 53.31 1wft n ALA 81 Cb 0.52 -2.33 -0.11 0.00 0.00 0.00 0.00 19.45 17.52 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 -1.18 3.26 0.06 0.00 2.46 -0.52 -4.89 115.29 114.48 1wft s HIS 82 Ca 0.60 -1.20 -0.28 0.00 0.47 0.00 0.00 55.06 54.66 1wft s HIS 82 Cb -0.48 -2.49 -0.05 0.00 -0.13 0.00 0.00 32.58 29.43 1wft s HIS 82 CO 0.58 -0.71 0.87 0.42 -2.47 0.00 0.00 174.74 173.43 1wft s ILE 83 N 1.49 4.67 -0.73 0.89 1.09 -1.26 -4.64 121.20 122.71 1wft s ILE 83 Ca 0.01 1.86 -0.27 0.00 -1.10 0.00 0.00 60.65 61.15 1wft s ILE 83 Cb -0.20 -4.22 0.02 0.00 -1.06 0.00 0.00 42.46 37.00 1wft s ILE 83 CO 0.05 0.31 1.40 -0.62 -0.10 0.00 0.00 174.94 175.98 1wft s ASP 84 N 0.14 6.00 -0.48 3.58 2.15 -1.22 -4.87 116.67 121.98 1wft s ASP 84 Ca 0.44 -0.34 -0.02 0.00 0.43 0.00 0.00 52.55 53.06 1wft s ASP 84 Cb -0.22 -2.55 0.25 0.00 -0.30 0.00 0.00 42.92 40.10 1wft s ASP 84 CO 0.26 -1.93 2.19 -1.22 -0.17 0.00 0.00 175.17 174.30 1wft n TYR 85 N 10.01 2.08 -0.13 -5.34 4.01 -1.26 -3.54 117.16 122.99 1wft n TYR 85 Ca 0.07 -2.25 -0.28 0.00 -0.16 0.00 0.00 57.90 55.29 1wft n TYR 85 Cb 0.50 -1.19 -0.10 0.00 -0.31 0.00 0.00 39.34 38.23 1wft n TYR 85 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1wft n THR 86 N 0.09 1.53 0.00 -0.72 -2.24 -1.26 -4.92 114.28 106.75 1wft n THR 86 Ca 0.44 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1wft n THR 86 Cb 0.56 -1.84 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 1wft n THR 86 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wft n SER 87 N -4.14 0.40 -3.71 3.42 7.64 -1.26 -5.07 113.62 110.89 1wft n SER 87 Ca -0.51 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.17 1wft n SER 87 Cb 0.88 0.00 -0.18 0.00 -1.01 0.00 0.00 64.21 63.91 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 -1.91 0.11 -0.80 1.43 3.52 -1.26 -5.09 118.95 114.95 1wft s ARG 88 Ca 0.00 0.28 -0.25 0.00 -0.13 0.00 0.00 55.73 55.63 1wft s ARG 88 Cb 0.00 -0.59 -0.04 0.00 -1.56 0.00 0.00 34.95 32.76 1wft s ARG 88 CO 0.00 -0.29 1.92 -1.25 -0.81 0.00 0.00 175.30 174.86 1wft s PRO 89 N 1.94 2.58 0.04 5.12 0.04 -1.23 -4.60 135.00 138.90 1wft s PRO 89 Ca 0.03 0.03 -0.01 0.00 0.04 0.00 0.00 61.00 61.09 1wft s PRO 89 Cb -0.12 -4.82 -0.04 0.00 0.04 0.00 0.00 34.50 29.56 1wft s PRO 89 CO -0.03 -3.15 -0.03 0.00 0.04 0.00 0.00 177.00 173.82 1wft s ALA 90 N 9.73 0.43 -0.17 8.56 0.00 -1.26 -3.56 121.76 135.49 1wft s ALA 90 Ca 0.69 -1.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.40 1wft s ALA 90 Cb -0.09 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 1wft s ALA 90 CO 0.07 -0.32 0.50 0.42 0.00 0.00 0.00 175.76 176.43 1wft s ILE 91 N -3.32 5.14 -0.25 0.00 1.01 0.48 -3.40 121.20 120.87 1wft s ILE 91 Ca 0.02 0.95 -0.16 0.00 0.00 0.00 0.00 60.65 61.46 1wft s ILE 91 Cb 0.04 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1wft s ILE 91 CO -0.08 0.23 0.41 -0.69 0.00 0.00 0.00 174.94 174.81 1wft s VAL 92 N 1.26 5.16 0.44 2.92 1.01 -1.26 -0.86 120.40 129.06 1wft s VAL 92 Ca 0.25 0.68 0.07 0.00 0.00 0.00 0.00 61.98 62.98 1wft s VAL 92 Cb -0.15 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1wft s VAL 92 CO 0.10 0.17 0.34 -0.36 0.00 0.00 0.00 175.10 175.35 1wft s PHE 93 N 1.87 2.50 -0.15 5.22 0.08 -0.76 -3.17 117.98 123.57 1wft s PHE 93 Ca 0.18 -0.57 -0.07 0.00 0.12 0.00 0.00 56.93 56.59 1wft s PHE 93 Cb -0.15 -2.09 0.06 0.00 -0.57 0.00 0.00 43.02 40.27 1wft s PHE 93 CO 0.09 -0.12 0.34 1.03 -0.10 0.00 0.00 175.22 176.46 1wft s ARG 94 N -4.11 0.28 -0.01 0.44 1.81 -1.06 -3.38 118.95 112.92 1wft s ARG 94 Ca 0.45 0.77 0.02 0.00 -1.72 0.00 0.00 55.73 55.24 1wft s ARG 94 Cb -0.01 0.02 -0.00 0.00 -0.45 0.00 0.00 34.95 34.51 1wft s ARG 94 CO 0.26 -0.21 -0.07 0.42 -0.68 0.00 0.00 175.30 175.02 1wft s ILE 95 N 1.83 0.58 0.26 1.52 1.01 -1.19 -0.32 121.20 124.88 1wft s ILE 95 Ca -0.06 -0.28 -0.11 0.00 0.00 0.00 0.00 60.65 60.20 1wft s ILE 95 Cb -0.10 -0.51 -0.01 0.00 0.01 0.00 0.00 42.46 41.86 1wft s ILE 95 CO -0.11 0.18 0.46 -0.55 0.00 0.00 0.00 174.94 174.92 1wft s SER 96 N 0.01 0.02 -0.00 3.58 0.15 -1.25 -2.05 113.70 114.16 1wft s SER 96 Ca 0.00 -1.02 0.08 0.00 0.70 0.00 0.00 55.95 55.71 1wft s SER 96 Cb -0.05 0.58 -0.02 0.00 -1.71 0.00 0.00 66.02 64.82 1wft s SER 96 CO -0.00 -1.14 -0.24 0.00 1.20 0.00 0.00 173.24 173.05 1wft s ALA 97 N -3.90 2.01 0.24 5.45 0.00 -1.26 -3.83 121.76 120.47 1wft s ALA 97 Ca 0.24 -1.08 -0.22 0.00 0.00 0.00 0.00 51.96 50.91 1wft s ALA 97 Cb -0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 23.12 22.55 1wft s ALA 97 CO 0.10 0.49 0.78 0.21 0.00 0.00 0.00 175.76 177.34 1wft s LYS 98 N -0.75 4.37 0.00 0.00 2.20 -0.94 -3.69 119.74 120.92 1wft s LYS 98 Ca 0.09 1.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.71 1wft s LYS 98 Cb -0.09 -2.91 0.00 0.00 -1.51 0.00 0.00 37.83 33.31 1wft s LYS 98 CO -0.00 0.39 0.00 -1.71 -0.36 0.00 0.00 175.35 173.67 1wft n ASN 99 N 0.80 0.00 0.05 1.43 2.85 -0.29 -2.59 115.26 117.52 1wft n ASN 99 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 1wft n ASN 99 Cb 0.51 -0.21 0.00 0.00 1.24 0.00 0.00 39.78 41.31 1wft n ASN 99 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1wft n GLU 100 N -2.38 0.00 -0.07 1.20 -0.58 -1.26 -4.45 120.64 113.09 1wft n GLU 100 Ca 0.00 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.52 1wft n GLU 100 Cb 0.00 -0.21 -0.12 0.00 -0.57 0.00 0.00 31.44 30.53 1wft n GLU 100 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1wft n LYS 101 N -3.12 0.64 0.00 3.49 4.76 -1.26 -5.07 118.16 117.60 1wft n LYS 101 Ca 0.00 0.40 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 1wft n LYS 101 Cb 0.00 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.50 1wft n LYS 101 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wft n GLY 102 N 1.67 4.00 4.00 0.72 0.00 -1.26 -5.13 105.19 109.20 1wft n GLY 102 Ca -0.36 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.43 2.92 0.00 1.61 1.51 -1.26 -1.14 117.35 120.56 1wft s TYR 103 Ca 0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1wft s TYR 103 Cb 0.00 -2.23 0.00 0.00 -0.11 0.00 0.00 41.96 39.62 1wft s TYR 103 CO 0.00 -0.26 0.00 0.41 -1.11 0.00 0.00 175.55 174.59 1wft n GLY 104 N -1.77 1.03 3.69 0.71 0.00 -1.24 -4.96 105.19 102.66 1wft n GLY 104 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 1.63 4.28 -0.17 1.61 0.04 -1.26 -4.96 135.00 136.17 1wft s PRO 105 Ca 0.00 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 63.00 1wft s PRO 105 Cb 0.00 -3.51 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 1wft s PRO 105 CO 0.00 -0.56 0.06 0.00 0.04 0.00 0.00 177.00 176.54 1wft s ALA 106 N 2.14 3.40 0.02 8.56 0.00 -1.26 -4.48 121.76 130.14 1wft s ALA 106 Ca 0.65 -0.75 -0.22 0.00 0.00 0.00 0.00 51.96 51.64 1wft s ALA 106 Cb -0.33 -1.87 -0.05 0.00 0.00 0.00 0.00 23.12 20.87 1wft s ALA 106 CO 0.28 0.25 0.67 0.99 0.00 0.00 0.00 175.76 177.94 1wft s THR 107 N 0.17 4.83 -0.32 0.00 2.01 -0.87 -4.93 115.64 116.52 1wft s THR 107 Ca 0.04 1.42 -0.05 0.00 0.31 0.00 0.00 61.69 63.40 1wft s THR 107 Cb -0.12 -4.01 0.04 0.00 0.01 0.00 0.00 72.50 68.41 1wft s THR 107 CO 0.01 0.40 0.07 -1.58 -0.69 0.00 0.00 174.62 172.83 1wft s GLN 108 N -0.14 2.65 -0.07 4.92 0.74 -1.26 -3.17 119.66 123.33 1wft s GLN 108 Ca 0.34 -1.14 0.03 0.00 0.05 0.00 0.00 55.36 54.64 1wft s GLN 108 Cb -0.19 -3.37 -0.02 0.00 1.10 0.00 0.00 33.01 30.52 1wft s GLN 108 CO 0.20 -0.62 -0.16 -1.50 -0.55 0.00 0.00 175.29 172.66 1wft s ILE 109 N 1.38 2.84 -0.40 -2.34 2.07 -1.22 -4.99 121.20 118.54 1wft s ILE 109 Ca -0.02 -0.78 -0.10 0.00 -1.41 0.00 0.00 60.65 58.34 1wft s ILE 109 Cb -0.19 -2.12 0.05 0.00 0.13 0.00 0.00 42.46 40.34 1wft s ILE 109 CO 0.02 0.57 0.24 -0.13 -1.91 0.00 0.00 174.94 173.72 1wft s ARG 110 N -0.32 2.73 -0.46 3.50 0.52 -1.26 -1.83 118.95 121.82 1wft s ARG 110 Ca 0.02 -1.27 -0.15 0.00 -0.52 0.00 0.00 55.73 53.81 1wft s ARG 110 Cb -0.13 -3.77 0.07 0.00 0.52 0.00 0.00 34.95 31.65 1wft s ARG 110 CO 0.02 -0.83 0.38 -0.46 0.02 0.00 0.00 175.30 174.43 1wft s TRP 111 N 1.50 3.25 -0.37 -0.53 -0.00 -0.04 -4.89 118.94 117.86 1wft s TRP 111 Ca 0.02 -0.97 -0.28 0.00 -0.00 0.00 0.00 56.10 54.88 1wft s TRP 111 Cb -0.21 -3.12 -0.07 0.00 -0.00 0.00 0.00 33.47 30.07 1wft s TRP 111 CO 0.04 -0.79 2.32 1.28 -0.00 0.00 0.00 176.95 179.80 1wft n LEU 112 N 5.17 2.68 -4.95 5.86 4.77 -1.26 -0.38 117.00 128.89 1wft n LEU 112 Ca -0.12 -0.10 -0.28 0.00 -0.03 0.00 0.00 56.01 55.48 1wft n LEU 112 Cb 0.44 -1.53 0.16 0.00 -2.33 0.00 0.00 43.42 40.16 1wft n LEU 112 CO 0.46 -1.08 0.79 0.00 -1.33 0.00 0.00 177.39 176.22 1wft s GLN 113 N 7.27 0.96 0.00 3.23 1.03 -1.23 -4.92 119.66 126.00 1wft s GLN 113 Ca 1.01 -0.58 0.00 0.00 0.04 0.00 0.00 55.36 55.83 1wft s GLN 113 Cb -0.33 -1.98 0.00 0.00 0.03 0.00 0.00 33.01 30.73 1wft s GLN 113 CO 0.33 -2.13 0.00 0.41 -2.54 0.00 0.00 175.29 171.36 1wft n GLY 114 N -3.50 1.72 3.52 2.60 0.00 -1.26 -4.88 105.19 103.38 1wft n GLY 114 Ca 0.15 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 1.00 5.88 -0.50 1.61 2.47 -1.26 -5.05 114.94 119.08 1wft s ASN 115 Ca 0.00 -0.33 -0.13 0.00 0.42 0.00 0.00 52.86 52.82 1wft s ASN 115 Cb 0.00 -2.09 0.12 0.00 -1.45 0.00 0.00 41.25 37.83 1wft s ASN 115 CO 0.00 -0.17 0.42 -0.55 -3.72 0.00 0.00 177.10 173.08 1wft s SER 116 N 1.70 5.97 -0.22 -4.21 0.15 -1.26 -5.05 113.70 110.77 1wft s SER 116 Ca 0.06 -1.79 -0.10 0.00 0.70 0.00 0.00 55.95 54.82 1wft s SER 116 Cb -0.17 -2.12 -0.05 0.00 -1.71 0.00 0.00 66.02 61.97 1wft s SER 116 CO 0.09 -0.77 0.13 -1.59 1.20 0.00 0.00 173.24 172.31 1wft s LYS 117 N 1.50 4.04 0.05 5.44 -2.85 -1.26 -4.99 119.74 121.67 1wft s LYS 117 Ca 0.04 -0.29 -0.18 0.00 -1.00 0.00 0.00 55.97 54.53 1wft s LYS 117 Cb -0.28 -3.45 -0.13 0.00 -2.06 0.00 0.00 37.83 31.91 1wft s LYS 117 CO 0.02 0.11 1.34 1.03 0.10 0.00 0.00 175.35 177.95 1wft h SER 118 N 7.30 0.52 0.00 0.03 0.87 -1.97 -3.50 113.55 116.81 1wft h SER 118 Ca -0.38 -0.51 0.00 0.00 -1.23 0.00 0.00 61.79 59.67 1wft h SER 118 Cb 1.17 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 1wft h SER 118 CO 0.67 0.93 0.00 0.61 -0.53 0.00 0.00 176.83 178.51 1wft n GLY 119 N 0.29 -1.11 0.17 5.77 0.00 -1.26 -4.09 105.19 104.96 1wft n GLY 119 Ca -0.06 -1.31 -0.01 0.00 0.00 0.00 0.00 46.02 44.64 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 0.11 -4.95 1.61 0.13 -2.03 -3.46 132.00 123.40 1wft h PRO 120 Ca 0.00 -0.06 -0.58 0.00 -0.87 0.00 0.00 66.00 64.49 1wft h PRO 120 Cb 0.00 0.00 0.08 0.00 0.13 0.00 0.00 31.00 31.21 1wft h PRO 120 CO 0.00 0.57 -0.30 0.45 -0.23 0.00 0.00 178.00 178.49 1wft n SER 121 N -3.97 -0.74 -4.58 1.44 2.88 -1.26 -4.77 113.62 102.62 1wft n SER 121 Ca -0.02 0.94 -0.42 0.00 -1.33 0.00 0.00 58.87 58.05 1wft n SER 121 Cb 0.51 -0.78 -0.03 0.00 -0.75 0.00 0.00 64.21 63.17 1wft n SER 121 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wft s SER 122 N -0.59 6.17 0.00 -3.46 1.04 -1.26 -5.06 113.70 110.53 1wft s SER 122 Ca 0.59 0.36 0.00 0.00 0.48 0.00 0.00 55.95 57.38 1wft s SER 122 Cb -0.85 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 62.73 1wft s SER 122 CO 0.46 -1.66 0.00 0.61 0.98 0.00 0.00 173.24 173.63