#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wft s SER 2 N 0.00 6.18 1.14 1.61 0.01 -1.26 -5.07 113.70 116.31 1wft s SER 2 Ca 0.00 -3.06 -0.17 0.00 1.31 0.00 0.00 55.95 54.03 1wft s SER 2 Cb 0.00 -2.04 0.19 0.00 0.21 0.00 0.00 66.02 64.39 1wft s SER 2 CO 0.00 -0.39 0.34 -1.54 0.41 0.00 0.00 173.24 172.06 1wft n SER 3 N 3.33 -2.89 -0.86 2.44 3.41 -1.26 -4.61 113.62 113.18 1wft n SER 3 Ca 0.15 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 1wft n SER 3 Cb 0.41 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 1wft n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wft n GLY 4 N 2.11 0.63 3.56 5.00 0.00 -1.26 -4.93 105.19 110.31 1wft n GLY 4 Ca 0.05 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.55 3.98 -0.24 1.61 1.04 -1.26 -4.83 113.70 111.45 1wft s SER 5 Ca 0.00 -0.09 -0.16 0.00 0.48 0.00 0.00 55.95 56.17 1wft s SER 5 Cb 0.00 -2.55 0.07 0.00 0.10 0.00 0.00 66.02 63.64 1wft s SER 5 CO 0.00 -3.83 0.61 -0.55 0.98 0.00 0.00 173.24 170.45 1wft s SER 6 N 10.44 -0.76 0.00 7.02 0.15 -1.26 -5.16 113.70 124.13 1wft s SER 6 Ca 0.90 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.85 1wft s SER 6 Cb -0.12 1.22 0.00 0.00 -1.71 0.00 0.00 66.02 65.41 1wft s SER 6 CO 0.08 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1wft n GLY 7 N 3.80 -0.72 3.48 9.45 0.00 -1.26 -4.76 105.19 115.17 1wft n GLY 7 Ca -0.19 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 -3.15 -2.67 1.61 -0.04 -1.26 -4.91 135.00 124.59 1wft n PRO 8 Ca 0.00 -1.73 -0.21 0.00 -0.04 0.00 0.00 63.50 61.52 1wft n PRO 8 Cb 0.00 -1.63 0.04 0.00 -0.04 0.00 0.00 33.50 31.87 1wft n PRO 8 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1wft s GLY 9 N -4.45 1.83 0.33 0.55 0.00 -1.26 -4.23 107.32 100.09 1wft s GLY 9 Ca 0.70 -1.40 -0.07 0.00 0.00 0.00 0.00 44.72 43.95 1wft s GLY 9 CO 0.54 -1.10 0.64 0.00 0.00 0.00 0.00 173.10 173.18 1wft s ALA 10 N -2.77 3.51 0.35 3.20 0.00 -1.26 -4.52 121.76 120.28 1wft s ALA 10 Ca 0.58 -0.40 -0.27 0.00 0.00 0.00 0.00 51.96 51.86 1wft s ALA 10 Cb -0.10 -2.46 -0.09 0.00 0.00 0.00 0.00 23.12 20.46 1wft s ALA 10 CO 0.39 0.17 1.21 -1.25 0.00 0.00 0.00 175.76 176.27 1wft s PRO 11 N -3.61 4.29 0.30 0.00 0.04 -1.26 -4.54 135.00 130.23 1wft s PRO 11 Ca 0.47 1.99 0.10 0.00 0.04 0.00 0.00 61.00 63.60 1wft s PRO 11 Cb -0.11 -2.94 -0.05 0.00 0.04 0.00 0.00 34.50 31.44 1wft s PRO 11 CO 0.30 -0.16 -0.10 -1.12 0.04 0.00 0.00 177.00 175.96 1wft s SER 12 N -0.82 3.92 -1.33 6.66 0.01 -1.15 -4.74 113.70 116.25 1wft s SER 12 Ca 0.51 -0.98 -0.03 0.00 1.31 0.00 0.00 55.95 56.76 1wft s SER 12 Cb -0.35 -0.46 0.01 0.00 0.21 0.00 0.00 66.02 65.44 1wft s SER 12 CO 0.45 -0.07 0.84 0.41 0.41 0.00 0.00 173.24 175.28 1wft n THR 13 N -0.78 -4.28 -2.68 1.44 -1.04 -1.26 -2.44 114.28 103.24 1wft n THR 13 Ca -0.05 -0.38 -0.43 0.00 -2.04 0.00 0.00 64.05 61.15 1wft n THR 13 Cb 0.61 -3.89 -0.03 0.00 -1.82 0.00 0.00 70.33 65.20 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 -3.52 4.49 0.04 12.58 1.01 -1.26 -4.39 120.40 129.34 1wft s VAL 14 Ca 0.15 1.51 0.05 0.00 0.00 0.00 0.00 61.98 63.69 1wft s VAL 14 Cb -0.07 -4.42 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 1wft s VAL 14 CO 0.79 -0.57 -0.09 -0.13 0.00 0.00 0.00 175.10 175.10 1wft s ARG 15 N 3.72 2.36 -0.25 2.72 0.52 -0.96 -5.00 118.95 122.06 1wft s ARG 15 Ca 0.44 -0.85 0.02 0.00 -0.52 0.00 0.00 55.73 54.81 1wft s ARG 15 Cb -0.11 -2.40 0.06 0.00 0.52 0.00 0.00 34.95 33.02 1wft s ARG 15 CO 0.19 0.56 -0.07 0.42 0.02 0.00 0.00 175.30 176.42 1wft s ILE 16 N -1.07 1.85 -0.21 1.52 1.01 -1.26 -2.14 121.20 120.89 1wft s ILE 16 Ca 0.19 -1.48 -0.05 0.00 0.00 0.00 0.00 60.65 59.31 1wft s ILE 16 Cb -0.11 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 1wft s ILE 16 CO 0.10 -0.11 0.00 -0.55 0.00 0.00 0.00 174.94 174.38 1wft s SER 17 N 1.24 4.78 0.26 3.58 0.15 -0.94 -4.98 113.70 117.79 1wft s SER 17 Ca -0.06 -0.24 -0.30 0.00 0.70 0.00 0.00 55.95 56.06 1wft s SER 17 Cb -0.19 -1.83 -0.10 0.00 -1.71 0.00 0.00 66.02 62.19 1wft s SER 17 CO -0.06 0.03 1.35 -0.75 1.20 0.00 0.00 173.24 175.01 1wft s LYS 18 N 1.19 4.34 0.44 5.44 2.20 -1.26 -0.31 119.74 131.78 1wft s LYS 18 Ca 0.03 2.19 0.08 0.00 -0.36 0.00 0.00 55.97 57.90 1wft s LYS 18 Cb -0.14 -3.13 -0.01 0.00 -1.51 0.00 0.00 37.83 33.04 1wft s LYS 18 CO 0.01 -0.29 0.42 1.21 -0.36 0.00 0.00 175.35 176.34 1wft s ASN 19 N 0.09 5.03 0.13 1.43 2.47 0.21 -4.81 114.94 119.49 1wft s ASN 19 Ca 0.55 -0.80 -0.07 0.00 0.42 0.00 0.00 52.86 52.96 1wft s ASN 19 Cb -0.39 -0.40 -0.09 0.00 -1.45 0.00 0.00 41.25 38.92 1wft s ASN 19 CO 0.44 -0.76 1.33 0.58 -3.72 0.00 0.00 177.10 174.97 1wft h VAL 20 N 0.92 1.34 0.00 -5.21 2.07 -1.98 -3.27 116.25 110.12 1wft h VAL 20 Ca -0.40 -2.18 -0.03 0.00 0.82 0.00 0.00 66.70 64.91 1wft h VAL 20 Cb 1.27 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 33.22 1wft h VAL 20 CO 0.56 0.67 -1.40 0.47 0.02 0.00 0.00 177.57 177.89 1wft n ASP 21 N -3.85 0.57 0.00 0.57 9.92 -1.26 -5.04 116.55 117.46 1wft n ASP 21 Ca -0.07 0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 1wft n ASP 21 Cb 0.78 0.91 0.00 0.00 -0.64 0.00 0.00 41.12 42.16 1wft n ASP 21 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wft n GLY 22 N 1.25 1.14 3.26 0.44 0.00 -1.23 -3.86 105.19 106.18 1wft n GLY 22 Ca -0.03 0.28 -0.20 0.00 0.00 0.00 0.00 46.02 46.07 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 1.81 1.46 -0.40 -0.61 1.01 0.40 0.65 121.20 125.52 1wft s ILE 23 Ca 0.00 -1.67 0.02 0.00 0.00 0.00 0.00 60.65 59.00 1wft s ILE 23 Cb 0.00 -1.53 0.11 0.00 0.01 0.00 0.00 42.46 41.05 1wft s ILE 23 CO 0.00 -0.31 0.14 -2.28 0.00 0.00 0.00 174.94 172.49 1wft s HIS 24 N -1.84 3.62 -0.31 3.97 2.46 0.58 -0.98 115.29 122.79 1wft s HIS 24 Ca 0.08 -2.89 -0.23 0.00 0.47 0.00 0.00 55.06 52.49 1wft s HIS 24 Cb -0.07 -2.99 -0.00 0.00 -0.13 0.00 0.00 32.58 29.39 1wft s HIS 24 CO 0.04 -0.92 0.76 -1.17 -2.47 0.00 0.00 174.74 170.98 1wft s LEU 25 N 0.72 4.10 0.18 8.88 2.96 0.33 -2.21 118.68 133.64 1wft s LEU 25 Ca 0.12 0.59 0.09 0.00 -0.22 0.00 0.00 54.13 54.72 1wft s LEU 25 Cb -0.21 -3.02 -0.04 0.00 0.50 0.00 0.00 46.19 43.42 1wft s LEU 25 CO -0.06 -0.60 -0.20 -0.94 -1.32 0.00 0.00 176.35 173.24 1wft s SER 26 N 1.64 2.94 0.36 3.68 1.04 -0.91 -0.33 113.70 122.12 1wft s SER 26 Ca 0.31 -0.87 -0.17 0.00 0.48 0.00 0.00 55.95 55.70 1wft s SER 26 Cb -0.14 -0.19 0.05 0.00 0.10 0.00 0.00 66.02 65.83 1wft s SER 26 CO 0.13 0.01 0.77 -1.66 0.98 0.00 0.00 173.24 173.47 1wft s TRP 27 N -1.97 0.07 0.16 5.02 -2.14 -0.56 -2.25 118.94 117.26 1wft s TRP 27 Ca 0.18 -0.70 0.09 0.00 2.66 0.00 0.00 56.10 58.33 1wft s TRP 27 Cb -0.06 0.81 -0.04 0.00 -3.10 0.00 0.00 33.47 31.07 1wft s TRP 27 CO 0.08 -1.51 -0.20 -1.21 -2.66 0.00 0.00 176.95 171.46 1wft s GLU 28 N -2.63 1.29 1.02 3.25 0.41 -1.02 -4.77 118.70 116.24 1wft s GLU 28 Ca 0.15 -1.39 -0.13 0.00 -0.41 0.00 0.00 54.97 53.19 1wft s GLU 28 Cb -0.05 -1.43 0.20 0.00 -1.78 0.00 0.00 34.13 31.07 1wft s GLU 28 CO 0.11 0.30 1.09 -1.25 -0.49 0.00 0.00 175.26 175.02 1wft s PRO 29 N -2.63 0.29 -0.18 0.39 0.04 -1.26 -2.94 135.00 128.71 1wft s PRO 29 Ca 0.15 0.48 -0.29 0.00 0.04 0.00 0.00 61.00 61.38 1wft s PRO 29 Cb -0.07 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 1wft s PRO 29 CO 0.07 -2.82 1.58 -1.25 0.04 0.00 0.00 177.00 174.62 1wft s PRO 30 N -4.96 3.94 0.25 0.56 0.04 -1.26 -4.46 135.00 129.10 1wft s PRO 30 Ca 0.66 1.78 -0.04 0.00 0.04 0.00 0.00 61.00 63.44 1wft s PRO 30 Cb -0.19 -3.99 0.47 0.00 0.04 0.00 0.00 34.50 30.83 1wft s PRO 30 CO 0.58 -1.12 1.73 0.00 0.04 0.00 0.00 177.00 178.22 1wft h THR 31 N 5.93 0.64 -3.85 1.26 1.03 -1.92 -3.41 112.91 112.60 1wft h THR 31 Ca -0.34 -0.15 -0.48 0.00 -0.01 0.00 0.00 66.41 65.44 1wft h THR 31 Cb 1.15 0.17 -0.02 0.00 -1.07 0.00 0.00 68.15 68.39 1wft h THR 31 CO 0.99 0.08 0.35 -0.55 -0.01 0.00 0.00 175.52 176.38 1wft s SER 32 N -5.33 7.40 -0.11 0.00 0.15 -1.26 -5.00 113.70 109.54 1wft s SER 32 Ca -0.12 1.89 -0.29 0.00 0.70 0.00 0.00 55.95 58.13 1wft s SER 32 Cb 0.21 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.89 1wft s SER 32 CO 0.76 -0.03 1.54 -2.16 1.20 0.00 0.00 173.24 174.55 1wft s PRO 33 N -1.81 4.13 -0.25 5.44 0.04 -1.26 -4.91 135.00 136.38 1wft s PRO 33 Ca 0.48 1.95 -0.17 0.00 0.04 0.00 0.00 61.00 63.29 1wft s PRO 33 Cb -0.21 -3.93 -0.15 0.00 0.04 0.00 0.00 34.50 30.24 1wft s PRO 33 CO 0.27 -0.88 -0.11 -1.13 0.04 0.00 0.00 177.00 175.18 1wft n SER 34 N 7.21 1.92 0.00 6.66 3.41 -1.26 -5.08 113.62 126.47 1wft n SER 34 Ca 0.17 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 1wft n SER 34 Cb 0.44 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 1wft n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wft n GLY 35 N 1.33 -1.17 2.87 5.00 0.00 -1.26 -5.02 105.19 106.94 1wft n GLY 35 Ca -0.45 0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 4.14 -0.59 1.61 0.01 -1.26 -5.06 114.94 109.79 1wft s ASN 36 Ca 0.00 -2.99 -0.26 0.00 -0.71 0.00 0.00 52.86 48.90 1wft s ASN 36 Cb 0.00 -1.46 -0.05 0.00 0.41 0.00 0.00 41.25 40.14 1wft s ASN 36 CO 0.00 -0.23 2.15 -0.63 -1.51 0.00 0.00 177.10 176.89 1wft s ILE 37 N -0.22 3.18 -0.00 0.60 -1.09 -1.26 -4.52 121.20 117.88 1wft s ILE 37 Ca 0.18 0.06 -0.24 0.00 -2.23 0.00 0.00 60.65 58.42 1wft s ILE 37 Cb -0.23 -3.46 -0.14 0.00 -1.58 0.00 0.00 42.46 37.05 1wft s ILE 37 CO -0.02 -0.44 1.01 -0.07 -1.23 0.00 0.00 174.94 174.19 1wft h LEU 38 N 18.43 -0.65 -7.88 2.97 3.38 -1.95 -3.49 115.31 126.12 1wft h LEU 38 Ca -0.21 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 57.85 1wft h LEU 38 Cb 1.19 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 42.05 1wft h LEU 38 CO 1.18 -0.26 0.34 -1.61 0.09 0.00 0.00 178.44 178.18 1wft s GLU 39 N -4.33 1.60 0.39 1.13 2.02 -1.25 -4.93 118.70 113.33 1wft s GLU 39 Ca -0.13 -0.91 0.08 0.00 0.02 0.00 0.00 54.97 54.03 1wft s GLU 39 Cb 0.01 0.53 -0.06 0.00 0.10 0.00 0.00 34.13 34.71 1wft s GLU 39 CO 0.40 -0.74 0.10 0.71 0.02 0.00 0.00 175.26 175.76 1wft s TYR 40 N -3.44 2.58 -0.19 1.61 1.51 -0.93 -2.60 117.35 115.90 1wft s TYR 40 Ca 0.12 -0.55 -0.10 0.00 -1.01 0.00 0.00 57.07 55.54 1wft s TYR 40 Cb -0.04 -1.78 0.06 0.00 -0.11 0.00 0.00 41.96 40.09 1wft s TYR 40 CO 0.06 0.32 0.45 -1.12 -1.11 0.00 0.00 175.55 174.14 1wft s SER 41 N -3.82 -0.55 0.29 2.29 0.01 -1.19 -3.15 113.70 107.57 1wft s SER 41 Ca 0.38 0.99 0.01 0.00 1.31 0.00 0.00 55.95 58.64 1wft s SER 41 Cb 0.03 0.91 -0.03 0.00 0.21 0.00 0.00 66.02 67.14 1wft s SER 41 CO 0.21 -0.20 0.48 0.00 0.41 0.00 0.00 173.24 174.13 1wft s ALA 42 N 1.56 3.77 0.06 1.44 0.00 -0.95 -3.60 121.76 124.04 1wft s ALA 42 Ca -0.09 -0.95 -0.07 0.00 0.00 0.00 0.00 51.96 50.85 1wft s ALA 42 Cb -0.08 -2.01 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 1wft s ALA 42 CO -0.14 0.14 0.13 0.71 0.00 0.00 0.00 175.76 176.60 1wft s TYR 43 N -2.14 0.20 -0.14 0.00 1.51 -0.60 -3.01 117.35 113.17 1wft s TYR 43 Ca 0.38 -0.58 -0.05 0.00 -1.01 0.00 0.00 57.07 55.81 1wft s TYR 43 Cb -0.10 -0.13 0.07 0.00 -0.11 0.00 0.00 41.96 41.69 1wft s TYR 43 CO 0.33 -0.45 0.28 -1.17 -1.11 0.00 0.00 175.55 173.44 1wft s LEU 44 N -2.52 -0.26 0.15 -1.29 2.96 -1.08 -2.84 118.68 113.81 1wft s LEU 44 Ca 0.01 0.64 -0.33 0.00 -0.22 0.00 0.00 54.13 54.23 1wft s LEU 44 Cb 0.03 0.80 -0.13 0.00 0.50 0.00 0.00 46.19 47.39 1wft s LEU 44 CO -0.08 -0.23 1.67 0.00 -1.32 0.00 0.00 176.35 176.39 1wft n ALA 45 N 5.20 1.83 -2.45 5.97 0.00 -1.14 -3.39 120.51 126.54 1wft n ALA 45 Ca -0.09 0.41 -0.27 0.00 0.00 0.00 0.00 53.44 53.49 1wft n ALA 45 Cb 0.50 -2.44 -0.13 0.00 0.00 0.00 0.00 19.45 17.39 1wft n ALA 45 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1wft s ILE 46 N 1.39 2.01 0.47 0.00 -4.36 -0.61 -0.18 121.20 119.91 1wft s ILE 46 Ca 0.79 -1.63 -0.21 0.00 -0.26 0.00 0.00 60.65 59.34 1wft s ILE 46 Cb -0.61 -1.79 -0.09 0.00 1.25 0.00 0.00 42.46 41.22 1wft s ILE 46 CO 0.37 0.05 1.03 -0.60 0.24 0.00 0.00 174.94 176.03 1wft s ARG 47 N -1.92 3.89 -0.16 0.37 3.52 -0.79 -4.43 118.95 119.44 1wft s ARG 47 Ca 0.11 1.35 -0.07 0.00 -0.13 0.00 0.00 55.73 56.99 1wft s ARG 47 Cb -0.10 -2.16 0.07 0.00 -1.56 0.00 0.00 34.95 31.20 1wft s ARG 47 CO 0.05 -0.35 0.35 0.95 -0.81 0.00 0.00 175.30 175.49 1wft s THR 48 N -1.96 -0.33 0.35 4.11 -4.23 -1.26 -4.97 115.64 107.34 1wft s THR 48 Ca 0.66 0.18 -0.27 0.00 -1.18 0.00 0.00 61.69 61.07 1wft s THR 48 Cb -0.16 -0.55 -0.12 0.00 1.34 0.00 0.00 72.50 73.01 1wft s THR 48 CO 0.20 0.07 1.14 0.00 -0.54 0.00 0.00 174.62 175.49 1wft n ALA 49 N 4.92 0.57 -2.44 3.99 0.00 -1.26 -5.01 120.51 121.28 1wft n ALA 49 Ca -0.14 0.34 -0.21 0.00 0.00 0.00 0.00 53.44 53.43 1wft n ALA 49 Cb 0.51 -2.14 -0.11 0.00 0.00 0.00 0.00 19.45 17.72 1wft n ALA 49 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1wft s GLN 50 N -1.82 1.60 0.16 0.00 -1.52 -1.26 -5.09 119.66 111.73 1wft s GLN 50 Ca 0.58 -1.86 0.00 0.00 -1.95 0.00 0.00 55.36 52.14 1wft s GLN 50 Cb -0.61 -0.94 0.00 0.00 -0.22 0.00 0.00 33.01 31.24 1wft s GLN 50 CO 0.60 -0.11 0.00 -1.33 -0.25 0.00 0.00 175.29 174.20 1wft n MET 51 N -0.64 0.00 -0.77 2.91 2.81 -1.26 -5.11 117.12 115.07 1wft n MET 51 Ca -0.04 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.62 1wft n MET 51 Cb 0.65 -0.17 0.20 0.00 -0.71 0.00 0.00 33.22 33.20 1wft n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wft n GLN 52 N -3.27 -2.83 -3.30 0.03 10.64 -1.26 -4.98 117.38 112.41 1wft n GLN 52 Ca 0.00 -1.36 -0.44 0.00 -1.83 0.00 0.00 57.00 53.37 1wft n GLN 52 Cb 0.00 -1.31 -0.07 0.00 -0.86 0.00 0.00 30.24 28.00 1wft n GLN 52 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.06 175.39 1wft s ASP 53 N -3.75 6.18 0.03 2.61 -4.77 -1.26 -5.05 116.67 110.66 1wft s ASP 53 Ca 0.56 -1.10 0.08 0.00 -3.30 0.00 0.00 52.55 48.79 1wft s ASP 53 Cb -0.06 -2.23 -0.03 0.00 -1.09 0.00 0.00 42.92 39.52 1wft s ASP 53 CO 0.43 -0.73 -0.24 0.20 0.70 0.00 0.00 175.17 175.53 1wft s ASN 54 N 2.54 3.32 1.12 2.11 -0.87 -1.26 -5.14 114.94 116.76 1wft s ASN 54 Ca 0.09 -0.53 -0.16 0.00 -1.57 0.00 0.00 52.86 50.69 1wft s ASN 54 Cb -0.22 -0.38 0.25 0.00 -0.02 0.00 0.00 41.25 40.88 1wft s ASN 54 CO 0.09 0.27 1.10 -2.16 -2.57 0.00 0.00 177.10 173.84 1wft s PRO 55 N -1.18 -0.59 -0.89 -0.60 0.04 -1.26 -4.77 135.00 125.75 1wft s PRO 55 Ca 0.12 0.16 -0.24 0.00 0.04 0.00 0.00 61.00 61.08 1wft s PRO 55 Cb -0.10 -1.65 -0.22 0.00 0.04 0.00 0.00 34.50 32.57 1wft s PRO 55 CO 0.02 -3.34 2.50 0.45 0.04 0.00 0.00 177.00 176.67 1wft n SER 56 N -4.54 0.35 -4.11 6.66 2.88 -1.26 -4.87 113.62 108.74 1wft n SER 56 Ca 0.10 -0.26 -0.21 0.00 -1.33 0.00 0.00 58.87 57.17 1wft n SER 56 Cb 0.59 -1.01 -0.15 0.00 -0.75 0.00 0.00 64.21 62.89 1wft n SER 56 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1wft s GLN 57 N 8.40 1.06 -0.02 -1.46 -0.21 -1.26 -5.15 119.66 121.02 1wft s GLN 57 Ca 1.25 -0.54 0.02 0.00 0.02 0.00 0.00 55.36 56.11 1wft s GLN 57 Cb -0.88 -1.04 0.00 0.00 1.00 0.00 0.00 33.01 32.10 1wft s GLN 57 CO 0.43 0.28 -0.08 -0.51 -2.12 0.00 0.00 175.29 173.29 1wft s LEU 58 N -0.50 1.80 -0.12 2.90 1.43 -1.26 -5.12 118.68 117.81 1wft s LEU 58 Ca 0.04 -0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 52.94 1wft s LEU 58 Cb -0.06 -0.49 -0.03 0.00 0.03 0.00 0.00 46.19 45.63 1wft s LEU 58 CO -0.00 0.06 0.01 0.54 0.23 0.00 0.00 176.35 177.19 1wft s VAL 59 N 0.17 4.33 0.02 -1.59 0.11 -1.26 -5.06 120.40 117.13 1wft s VAL 59 Ca -0.02 -0.22 0.08 0.00 -2.93 0.00 0.00 61.98 58.89 1wft s VAL 59 Cb -0.08 -2.87 -0.02 0.00 -1.53 0.00 0.00 36.38 31.88 1wft s VAL 59 CO 0.00 0.55 -0.24 -0.36 -3.33 0.00 0.00 175.10 171.72 1wft s PHE 60 N -0.32 2.15 0.02 1.54 0.40 -1.26 -1.58 117.98 118.92 1wft s PHE 60 Ca 0.07 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 56.04 1wft s PHE 60 Cb -0.12 -1.32 -0.02 0.00 0.51 0.00 0.00 43.02 42.08 1wft s PHE 60 CO 0.02 0.07 -0.14 0.00 0.70 0.00 0.00 175.22 175.87 1wft s MET 61 N -1.01 0.99 -0.12 0.44 0.23 -1.22 -4.93 119.30 113.68 1wft s MET 61 Ca 0.10 -0.63 -0.29 0.00 -1.03 0.00 0.00 55.69 53.84 1wft s MET 61 Cb -0.09 -0.97 -0.04 0.00 -1.53 0.00 0.00 34.83 32.19 1wft s MET 61 CO 0.01 0.25 1.67 0.50 -2.03 0.00 0.00 175.02 175.42 1wft s ARG 62 N -0.77 3.98 -0.09 3.16 3.52 -1.26 -2.62 118.95 124.87 1wft s ARG 62 Ca 0.03 1.99 0.17 0.00 -0.13 0.00 0.00 55.73 57.78 1wft s ARG 62 Cb -0.07 -4.03 -0.24 0.00 -1.56 0.00 0.00 34.95 29.05 1wft s ARG 62 CO 0.00 -1.08 0.23 0.44 -0.81 0.00 0.00 175.30 174.09 1wft n ILE 63 N 5.94 0.54 -4.52 4.11 -5.35 -1.17 -4.95 119.36 113.96 1wft n ILE 63 Ca 0.18 -0.55 -0.23 0.00 -0.27 0.00 0.00 62.75 61.88 1wft n ILE 63 Cb 0.44 -0.22 -0.16 0.00 -1.74 0.00 0.00 39.64 37.96 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 -2.85 1.25 -0.22 4.28 6.14 -1.25 -5.05 117.35 119.66 1wft s TYR 64 Ca -0.07 -0.39 0.01 0.00 0.64 0.00 0.00 57.07 57.25 1wft s TYR 64 Cb 0.08 -0.91 0.05 0.00 0.42 0.00 0.00 41.96 41.61 1wft s TYR 64 CO 0.72 -0.19 -0.07 0.00 0.64 0.00 0.00 175.55 176.65 1wft n GLY 66 N 4.70 0.39 0.11 0.00 0.00 -1.19 -5.01 105.19 104.19 1wft n GLY 66 Ca -0.13 -0.92 0.03 0.00 0.00 0.00 0.00 46.02 45.01 1wft n GLY 66 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1wft h LEU 67 N 0.00 0.00 -9.68 0.99 -0.00 -1.92 -2.46 115.31 102.24 1wft h LEU 67 Ca 0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 57.88 57.30 1wft h LEU 67 Cb 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 40.66 40.78 1wft h LEU 67 CO 0.00 0.44 0.36 1.17 -0.00 0.00 0.00 178.44 180.40 1wft n LYS 68 N -2.92 1.78 -0.82 0.17 4.81 -1.26 -4.48 118.16 115.44 1wft n LYS 68 Ca -0.05 0.63 -0.14 0.00 -0.87 0.00 0.00 58.31 57.88 1wft n LYS 68 Cb 0.76 -2.17 0.03 0.00 0.02 0.00 0.00 35.03 33.66 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 0.08 2.64 -3.59 3.15 -2.24 -1.26 -4.82 114.28 108.24 1wft n THR 69 Ca 0.07 -1.45 -0.11 0.00 -2.27 0.00 0.00 64.05 60.29 1wft n THR 69 Cb 0.36 -1.37 -0.06 0.00 -2.10 0.00 0.00 70.33 67.16 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 0.52 -0.45 0.20 3.42 0.01 -1.26 -1.50 113.70 114.64 1wft s SER 70 Ca 0.25 0.65 -0.10 0.00 1.31 0.00 0.00 55.95 58.07 1wft s SER 70 Cb 0.20 0.59 -0.01 0.00 0.21 0.00 0.00 66.02 67.01 1wft s SER 70 CO -0.00 -0.30 0.35 0.00 0.41 0.00 0.00 173.24 173.70 1wft s THR 72 N -4.00 1.93 -0.24 0.00 2.01 -1.26 -0.52 115.64 113.57 1wft s THR 72 Ca 0.21 -1.03 0.02 0.00 0.31 0.00 0.00 61.69 61.20 1wft s THR 72 Cb 0.02 -1.62 0.05 0.00 0.01 0.00 0.00 72.50 70.96 1wft s THR 72 CO 0.04 0.54 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.71 1wft s VAL 73 N -0.39 2.05 0.85 3.82 1.01 -0.16 -4.93 120.40 122.65 1wft s VAL 73 Ca 0.04 -1.45 -0.12 0.00 0.00 0.00 0.00 61.98 60.45 1wft s VAL 73 Cb -0.11 -2.13 0.10 0.00 0.00 0.00 0.00 36.38 34.24 1wft s VAL 73 CO 0.01 0.06 1.14 0.42 0.00 0.00 0.00 175.10 176.73 1wft s THR 74 N 1.18 2.26 0.18 3.92 -4.23 -1.26 -0.46 115.64 117.24 1wft s THR 74 Ca -0.06 0.08 -0.13 0.00 -1.18 0.00 0.00 61.69 60.41 1wft s THR 74 Cb -0.19 -2.93 0.09 0.00 1.34 0.00 0.00 72.50 70.81 1wft s THR 74 CO -0.06 -0.11 1.75 0.00 -0.54 0.00 0.00 174.62 175.66 1wft h ALA 75 N -1.24 0.61 -0.86 3.99 0.00 -1.96 -2.21 119.26 117.59 1wft h ALA 75 Ca -0.48 0.06 0.18 0.00 0.00 0.00 0.00 54.91 54.66 1wft h ALA 75 Cb 1.32 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.97 1wft h ALA 75 CO 0.63 -0.21 -0.20 0.78 0.00 0.00 0.00 179.25 180.26 1wft h GLY 76 N 0.37 0.65 0.70 0.00 0.00 -1.93 0.27 103.07 103.13 1wft h GLY 76 Ca 0.24 0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.80 1wft h GLY 76 CO -0.23 -0.33 -0.09 1.46 0.00 0.00 0.00 176.54 177.34 1wft h GLN 77 N 0.00 0.27 -0.70 4.80 1.08 -1.82 -3.21 115.11 115.53 1wft h GLN 77 Ca 0.42 -0.13 0.15 0.00 -1.45 0.00 0.00 58.65 57.64 1wft h GLN 77 Cb 0.66 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.97 1wft h GLN 77 CO -0.88 0.65 -0.00 -0.07 -0.95 0.00 0.00 178.83 177.57 1wft h LEU 78 N -0.12 -0.33 -0.88 1.46 3.38 -0.44 0.15 115.31 118.53 1wft h LEU 78 Ca 0.02 0.18 0.21 0.00 0.09 0.00 0.00 57.88 58.38 1wft h LEU 78 Cb 0.59 0.32 -0.12 0.00 0.09 0.00 0.00 40.66 41.54 1wft h LEU 78 CO 0.02 -0.15 0.38 0.00 0.09 0.00 0.00 178.44 178.78 1wft h ALA 79 N 1.65 1.39 0.00 1.53 0.00 -1.05 0.76 119.26 123.54 1wft h ALA 79 Ca 0.37 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.41 1wft h ALA 79 Cb 0.63 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1wft h ALA 79 CO -0.61 -0.33 -0.15 -0.91 0.00 0.00 0.00 179.25 177.25 1wft h ASN 80 N 0.40 0.00 -3.20 0.00 2.35 -0.81 -3.45 115.58 110.87 1wft h ASN 80 Ca 0.54 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.76 1wft h ASN 80 Cb 1.01 0.00 0.08 0.00 0.05 0.00 0.00 38.32 39.47 1wft h ASN 80 CO -0.52 0.15 0.89 0.00 -1.65 0.00 0.00 177.43 176.30 1wft n ALA 81 N -2.17 2.55 -2.52 -0.83 0.00 0.26 -1.88 120.51 115.92 1wft n ALA 81 Ca 0.01 0.38 -0.40 0.00 0.00 0.00 0.00 53.44 53.43 1wft n ALA 81 Cb 0.41 -2.47 -0.05 0.00 0.00 0.00 0.00 19.45 17.35 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 0.12 3.67 -0.24 0.00 2.46 0.75 -4.58 115.29 117.46 1wft s HIS 82 Ca 0.65 1.33 -0.07 0.00 0.47 0.00 0.00 55.06 57.44 1wft s HIS 82 Cb -0.50 -2.76 -0.03 0.00 -0.13 0.00 0.00 32.58 29.17 1wft s HIS 82 CO 0.47 0.24 0.06 0.42 -2.47 0.00 0.00 174.74 173.45 1wft s ILE 83 N 0.17 4.22 -0.54 0.89 -1.09 -1.26 -4.47 121.20 119.12 1wft s ILE 83 Ca 0.36 -0.20 -0.28 0.00 -2.23 0.00 0.00 60.65 58.30 1wft s ILE 83 Cb -0.19 -2.96 0.00 0.00 -1.58 0.00 0.00 42.46 37.73 1wft s ILE 83 CO 0.20 0.36 1.54 -0.62 -1.23 0.00 0.00 174.94 175.18 1wft s ASP 84 N 1.52 5.96 -0.63 3.58 2.15 -1.25 -4.87 116.67 123.13 1wft s ASP 84 Ca 0.06 0.43 -0.00 0.00 0.43 0.00 0.00 52.55 53.47 1wft s ASP 84 Cb -0.15 -2.54 0.43 0.00 -0.30 0.00 0.00 42.92 40.36 1wft s ASP 84 CO 0.03 -1.82 1.83 -1.22 -0.17 0.00 0.00 175.17 173.82 1wft n TYR 85 N 10.19 3.11 -0.04 -5.34 4.01 -1.26 -3.36 117.16 124.48 1wft n TYR 85 Ca 0.15 -2.76 -0.04 0.00 -0.16 0.00 0.00 57.90 55.09 1wft n TYR 85 Cb 0.49 -1.13 -0.05 0.00 -0.31 0.00 0.00 39.34 38.35 1wft n TYR 85 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1wft n THR 86 N -0.78 0.48 0.00 -0.72 5.66 -1.26 -4.88 114.28 112.78 1wft n THR 86 Ca 0.56 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 61.31 1wft n THR 86 Cb 0.63 -0.82 0.00 0.00 -1.55 0.00 0.00 70.33 68.59 1wft n THR 86 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1wft n SER 87 N -2.44 2.44 -3.64 1.09 7.64 -1.26 -5.09 113.62 112.36 1wft n SER 87 Ca -0.13 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.71 1wft n SER 87 Cb 0.70 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.83 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 -1.79 0.52 -0.89 1.43 3.52 -1.25 -5.10 118.95 115.39 1wft s ARG 88 Ca 0.00 0.86 -0.25 0.00 -0.13 0.00 0.00 55.73 56.22 1wft s ARG 88 Cb 0.00 0.12 -0.05 0.00 -1.56 0.00 0.00 34.95 33.46 1wft s ARG 88 CO 0.00 -0.10 1.94 -1.25 -0.81 0.00 0.00 175.30 175.08 1wft s PRO 89 N 1.34 2.55 0.16 5.12 0.04 -1.21 -4.57 135.00 138.44 1wft s PRO 89 Ca -0.08 -0.24 -0.03 0.00 0.04 0.00 0.00 61.00 60.69 1wft s PRO 89 Cb -0.04 -5.03 -0.03 0.00 0.04 0.00 0.00 34.50 29.44 1wft s PRO 89 CO -0.16 -3.35 0.14 0.00 0.04 0.00 0.00 177.00 173.67 1wft s ALA 90 N 10.05 0.78 -0.19 8.56 0.00 -1.26 -4.17 121.76 135.54 1wft s ALA 90 Ca 0.70 -1.43 -0.18 0.00 0.00 0.00 0.00 51.96 51.05 1wft s ALA 90 Cb -0.07 1.05 -0.03 0.00 0.00 0.00 0.00 23.12 24.07 1wft s ALA 90 CO 0.00 -0.56 0.49 0.42 0.00 0.00 0.00 175.76 176.11 1wft s ILE 91 N -4.07 5.13 -0.43 0.00 1.01 -0.56 -3.80 121.20 118.49 1wft s ILE 91 Ca 0.28 0.91 -0.19 0.00 0.00 0.00 0.00 60.65 61.65 1wft s ILE 91 Cb 0.06 -3.82 0.02 0.00 0.01 0.00 0.00 42.46 38.73 1wft s ILE 91 CO 0.05 0.20 0.51 -0.69 0.00 0.00 0.00 174.94 175.02 1wft s VAL 92 N 1.51 4.99 0.51 2.92 1.01 -1.25 -1.85 120.40 128.23 1wft s VAL 92 Ca 0.23 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.12 1wft s VAL 92 Cb -0.15 -4.10 0.04 0.00 0.00 0.00 0.00 36.38 32.17 1wft s VAL 92 CO 0.09 -0.49 0.59 -0.36 0.00 0.00 0.00 175.10 174.93 1wft s PHE 93 N 2.39 1.99 -0.30 5.22 0.08 -1.01 -2.86 117.98 123.49 1wft s PHE 93 Ca 0.16 -0.64 -0.10 0.00 0.12 0.00 0.00 56.93 56.47 1wft s PHE 93 Cb -0.16 -2.18 0.13 0.00 -0.57 0.00 0.00 43.02 40.25 1wft s PHE 93 CO 0.16 -0.66 0.66 1.03 -0.10 0.00 0.00 175.22 176.30 1wft s ARG 94 N -4.42 0.57 0.07 0.44 0.52 -1.13 -3.48 118.95 111.53 1wft s ARG 94 Ca 0.52 1.44 0.08 0.00 -0.52 0.00 0.00 55.73 57.24 1wft s ARG 94 Cb -0.05 0.87 -0.03 0.00 0.52 0.00 0.00 34.95 36.25 1wft s ARG 94 CO 0.32 -0.20 -0.20 0.42 0.02 0.00 0.00 175.30 175.65 1wft s ILE 95 N 2.89 1.65 0.11 1.52 1.01 -1.23 -1.56 121.20 125.58 1wft s ILE 95 Ca -0.06 -1.35 -0.25 0.00 0.00 0.00 0.00 60.65 58.99 1wft s ILE 95 Cb -0.12 -1.47 0.08 0.00 0.01 0.00 0.00 42.46 40.96 1wft s ILE 95 CO -0.19 0.07 0.75 -0.55 0.00 0.00 0.00 174.94 175.01 1wft s SER 96 N -1.52 -0.43 0.23 3.58 0.15 -1.24 -2.75 113.70 111.71 1wft s SER 96 Ca 0.07 -0.09 0.07 0.00 0.70 0.00 0.00 55.95 56.70 1wft s SER 96 Cb -0.09 0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 64.70 1wft s SER 96 CO 0.03 -0.87 0.14 0.00 1.20 0.00 0.00 173.24 173.74 1wft s ALA 97 N -3.49 3.49 -0.15 5.45 0.00 -1.26 -3.20 121.76 122.59 1wft s ALA 97 Ca 0.04 -1.40 0.02 0.00 0.00 0.00 0.00 51.96 50.62 1wft s ALA 97 Cb -0.01 -1.22 0.01 0.00 0.00 0.00 0.00 23.12 21.90 1wft s ALA 97 CO -0.08 0.33 -0.20 0.21 0.00 0.00 0.00 175.76 176.02 1wft s LYS 98 N -3.56 3.05 0.35 0.00 2.20 -1.07 -3.01 119.74 117.70 1wft s LYS 98 Ca 0.32 -0.83 0.02 0.00 -0.36 0.00 0.00 55.97 55.12 1wft s LYS 98 Cb -0.08 -2.51 -0.01 0.00 -1.51 0.00 0.00 37.83 33.72 1wft s LYS 98 CO 0.23 -0.05 0.06 0.27 -0.36 0.00 0.00 175.35 175.49 1wft n ASN 99 N 4.20 2.12 -0.34 1.43 6.94 0.04 -3.25 115.26 126.39 1wft n ASN 99 Ca -0.20 -2.67 0.16 0.00 -0.02 0.00 0.00 54.58 51.85 1wft n ASN 99 Cb 0.51 0.53 0.32 0.00 -2.36 0.00 0.00 39.78 38.78 1wft n ASN 99 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1wft h GLU 100 N 0.00 0.01 0.49 -3.83 3.07 -2.00 -1.13 114.58 111.18 1wft h GLU 100 Ca -0.28 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.55 1wft h GLU 100 Cb 0.95 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.86 1wft h GLU 100 CO 0.46 0.01 -0.24 0.87 -1.40 0.00 0.00 179.01 178.71 1wft h LYS 101 N 0.01 -0.63 0.00 2.33 1.79 -1.95 -3.50 116.57 114.61 1wft h LYS 101 Ca 0.62 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 59.14 1wft h LYS 101 Cb 1.32 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 32.12 1wft h LYS 101 CO -0.91 -0.42 0.00 0.41 -1.08 0.00 0.00 179.45 177.45 1wft n GLY 102 N -0.37 -0.67 3.54 3.86 0.00 -0.43 -5.11 105.19 106.01 1wft n GLY 102 Ca -0.08 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.95 3.18 0.00 1.61 2.02 -1.26 -0.78 117.35 119.17 1wft s TYR 103 Ca 0.00 -0.05 0.00 0.00 -0.37 0.00 0.00 57.07 56.65 1wft s TYR 103 Cb 0.00 -2.33 0.00 0.00 -0.40 0.00 0.00 41.96 39.23 1wft s TYR 103 CO 0.00 -0.22 0.00 0.41 -1.57 0.00 0.00 175.55 174.17 1wft n GLY 104 N 5.00 -0.75 3.77 0.71 0.00 -1.16 -4.91 105.19 107.85 1wft n GLY 104 Ca -0.15 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.03 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 3.79 -0.12 1.61 0.04 -1.26 -4.88 135.00 134.18 1wft s PRO 105 Ca 0.00 1.79 -0.01 0.00 0.04 0.00 0.00 61.00 62.81 1wft s PRO 105 Cb 0.00 -2.44 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 1wft s PRO 105 CO 0.00 -0.53 -0.07 0.00 0.04 0.00 0.00 177.00 176.44 1wft s ALA 106 N -1.53 2.90 -0.09 8.56 0.00 -1.26 -4.51 121.76 125.83 1wft s ALA 106 Ca 0.63 -0.86 -0.26 0.00 0.00 0.00 0.00 51.96 51.47 1wft s ALA 106 Cb -0.29 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 1wft s ALA 106 CO 0.35 0.33 0.85 0.99 0.00 0.00 0.00 175.76 178.28 1wft s THR 107 N 0.01 4.92 -0.36 0.00 2.01 -1.11 -4.86 115.64 116.25 1wft s THR 107 Ca -0.01 1.72 -0.14 0.00 0.31 0.00 0.00 61.69 63.56 1wft s THR 107 Cb -0.14 -4.17 -0.01 0.00 0.01 0.00 0.00 72.50 68.20 1wft s THR 107 CO 0.03 0.12 0.31 -1.58 -0.69 0.00 0.00 174.62 172.81 1wft s GLN 108 N 1.48 3.40 0.20 4.92 0.74 -1.26 -3.56 119.66 125.58 1wft s GLN 108 Ca 0.42 -0.63 0.08 0.00 0.05 0.00 0.00 55.36 55.28 1wft s GLN 108 Cb -0.18 -3.85 -0.04 0.00 1.10 0.00 0.00 33.01 30.04 1wft s GLN 108 CO 0.18 -0.56 -0.01 -1.50 -0.55 0.00 0.00 175.29 172.86 1wft s ILE 109 N 1.86 3.60 -0.31 -2.34 2.07 -1.23 -4.95 121.20 119.90 1wft s ILE 109 Ca 0.08 -1.57 0.02 0.00 -1.41 0.00 0.00 60.65 57.77 1wft s ILE 109 Cb -0.17 -2.84 0.09 0.00 0.13 0.00 0.00 42.46 39.67 1wft s ILE 109 CO 0.11 -0.18 0.04 -0.13 -1.91 0.00 0.00 174.94 172.88 1wft s ARG 110 N -3.12 1.27 -0.42 3.50 0.52 -1.25 -2.40 118.95 117.06 1wft s ARG 110 Ca 0.28 -1.46 -0.23 0.00 -0.52 0.00 0.00 55.73 53.81 1wft s ARG 110 Cb -0.09 -2.70 0.02 0.00 0.52 0.00 0.00 34.95 32.71 1wft s ARG 110 CO 0.19 -0.89 0.76 -0.46 0.02 0.00 0.00 175.30 174.92 1wft s TRP 111 N 1.22 3.04 0.05 -0.53 -0.00 -0.77 -4.78 118.94 117.16 1wft s TRP 111 Ca 0.07 0.27 -0.30 0.00 -0.00 0.00 0.00 56.10 56.14 1wft s TRP 111 Cb -0.18 -3.53 -0.05 0.00 -0.00 0.00 0.00 33.47 29.71 1wft s TRP 111 CO -0.13 -0.88 1.13 -0.51 -0.00 0.00 0.00 176.95 176.55 1wft s LEU 112 N 3.16 4.37 0.00 5.86 1.43 -1.26 -1.49 118.68 130.75 1wft s LEU 112 Ca 0.29 1.91 0.01 0.00 -1.03 0.00 0.00 54.13 55.31 1wft s LEU 112 Cb -0.13 -3.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.51 1wft s LEU 112 CO 0.20 -0.40 0.02 0.00 0.23 0.00 0.00 176.35 176.41 1wft n GLN 113 N 3.87 0.79 0.00 1.70 10.64 -1.26 -5.01 117.38 128.10 1wft n GLN 113 Ca 0.08 -3.49 0.00 0.00 -1.83 0.00 0.00 57.00 51.75 1wft n GLN 113 Cb 0.48 1.08 0.00 0.00 -0.86 0.00 0.00 30.24 30.94 1wft n GLN 113 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1wft n GLY 114 N -0.76 1.59 3.33 2.61 0.00 -1.26 -5.03 105.19 105.66 1wft n GLY 114 Ca -0.18 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 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 5.04 -0.33 1.61 3.84 -1.26 -5.07 114.94 117.77 1wft s ASN 115 Ca 0.00 -0.74 -0.04 0.00 0.21 0.00 0.00 52.86 52.30 1wft s ASN 115 Cb 0.00 -1.85 0.05 0.00 -0.55 0.00 0.00 41.25 38.90 1wft s ASN 115 CO 0.00 -0.19 0.07 -0.94 -2.79 0.00 0.00 177.10 173.25 1wft s SER 116 N 1.48 5.10 -0.12 -4.21 1.04 -1.26 -5.07 113.70 110.65 1wft s SER 116 Ca 0.02 -1.32 -0.09 0.00 0.48 0.00 0.00 55.95 55.04 1wft s SER 116 Cb -0.17 -1.79 0.04 0.00 0.10 0.00 0.00 66.02 64.20 1wft s SER 116 CO 0.02 -0.32 0.30 -0.75 0.98 0.00 0.00 173.24 173.47 1wft s LYS 117 N 1.30 0.32 -0.04 4.02 2.47 -1.26 -5.13 119.74 121.42 1wft s LYS 117 Ca -0.02 0.50 -0.30 0.00 -1.56 0.00 0.00 55.97 54.59 1wft s LYS 117 Cb -0.20 0.07 -0.04 0.00 -1.46 0.00 0.00 37.83 36.20 1wft s LYS 117 CO 0.00 -0.09 1.34 0.45 0.16 0.00 0.00 175.35 177.21 1wft s SER 118 N 0.61 6.91 0.00 1.43 0.15 -1.26 -4.99 113.70 116.56 1wft s SER 118 Ca -0.04 1.98 0.00 0.00 0.70 0.00 0.00 55.95 58.59 1wft s SER 118 Cb -0.05 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1wft s SER 118 CO -0.04 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.31 1wft n GLY 119 N 3.59 1.56 3.74 9.45 0.00 -1.26 -4.99 105.19 117.29 1wft n GLY 119 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1wft n GLY 119 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wft s PRO 120 N 0.07 1.77 -0.28 1.61 0.04 -1.26 -5.08 135.00 131.86 1wft s PRO 120 Ca 0.00 1.00 -0.16 0.00 0.04 0.00 0.00 61.00 61.88 1wft s PRO 120 Cb 0.00 -1.85 0.10 0.00 0.04 0.00 0.00 34.50 32.78 1wft s PRO 120 CO 0.00 -1.94 0.76 0.45 0.04 0.00 0.00 177.00 176.32 1wft s SER 121 N -3.41 -0.84 0.79 6.66 0.15 -1.26 -5.16 113.70 110.64 1wft s SER 121 Ca 0.62 1.34 -0.15 0.00 0.70 0.00 0.00 55.95 58.46 1wft s SER 121 Cb -0.18 1.34 0.00 0.00 -1.71 0.00 0.00 66.02 65.48 1wft s SER 121 CO 0.56 -0.21 0.64 -1.54 1.20 0.00 0.00 173.24 173.89 1wft n SER 122 N 4.15 -0.93 0.00 5.45 3.41 -1.26 -5.32 113.62 119.12 1wft n SER 122 Ca -0.20 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 1wft n SER 122 Cb 0.59 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1wft n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49