#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 6.67 -0.30 1.61 0.01 -1.26 -4.98 113.70 115.46 1wft s SER 2 Ca 0.00 1.99 0.02 0.00 1.31 0.00 0.00 55.95 59.27 1wft s SER 2 Cb 0.00 -2.53 0.09 0.00 0.21 0.00 0.00 66.02 63.78 1wft s SER 2 CO 0.00 -0.95 0.02 -0.44 0.41 0.00 0.00 173.24 172.28 1wft s SER 3 N 3.22 4.30 0.25 2.44 0.01 -1.26 -5.12 113.70 117.54 1wft s SER 3 Ca 0.69 -1.70 0.01 0.00 1.31 0.00 0.00 55.95 56.26 1wft s SER 3 Cb -0.29 -1.30 0.02 0.00 0.21 0.00 0.00 66.02 64.66 1wft s SER 3 CO 0.26 -0.33 0.17 0.61 0.41 0.00 0.00 173.24 174.35 1wft n GLY 4 N 4.53 1.44 3.03 3.44 0.00 -1.26 -5.13 105.19 111.24 1wft n GLY 4 Ca -0.03 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.71 -0.21 -0.26 1.61 1.04 -1.26 -5.13 113.70 107.78 1wft s SER 5 Ca 0.12 0.44 -0.04 0.00 0.48 0.00 0.00 55.95 56.95 1wft s SER 5 Cb -0.01 0.35 0.14 0.00 0.10 0.00 0.00 66.02 66.61 1wft s SER 5 CO 0.08 -0.14 0.48 -0.44 0.98 0.00 0.00 173.24 174.19 1wft s SER 6 N 1.02 -0.49 -0.09 7.02 0.01 -1.26 -5.16 113.70 114.74 1wft s SER 6 Ca -0.07 0.71 -0.32 0.00 1.31 0.00 0.00 55.95 57.58 1wft s SER 6 Cb -0.09 1.60 0.12 0.00 0.21 0.00 0.00 66.02 67.86 1wft s SER 6 CO -0.06 -0.27 1.04 -0.83 0.41 0.00 0.00 173.24 173.53 1wft s GLY 7 N 2.69 -0.38 0.00 3.44 0.00 -1.26 -4.67 107.32 107.14 1wft s GLY 7 Ca 0.11 1.31 0.15 0.00 0.00 0.00 0.00 44.72 46.28 1wft s GLY 7 CO -0.17 0.44 1.41 -1.55 0.00 0.00 0.00 173.10 173.23 1wft n PRO 8 N -0.15 0.21 0.00 2.90 -0.04 -1.26 -4.94 135.00 131.72 1wft n PRO 8 Ca -0.04 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1wft n PRO 8 Cb 0.60 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1wft n PRO 8 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wft n GLY 9 N -0.03 2.86 3.63 0.55 0.00 -1.26 -4.37 105.19 106.57 1wft n GLY 9 Ca 0.07 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.79 3.11 0.18 4.61 0.00 -1.26 -4.55 121.76 121.05 1wft s ALA 10 Ca 0.00 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 1wft s ALA 10 Cb 0.00 -1.21 -0.08 0.00 0.00 0.00 0.00 23.12 21.82 1wft s ALA 10 CO 0.00 0.62 1.32 -1.25 0.00 0.00 0.00 175.76 176.45 1wft s PRO 11 N -1.42 4.38 0.22 0.00 0.04 -1.26 -4.54 135.00 132.42 1wft s PRO 11 Ca 0.18 2.04 0.10 0.00 0.04 0.00 0.00 61.00 63.35 1wft s PRO 11 Cb -0.11 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 1wft s PRO 11 CO 0.08 -0.28 -0.19 -1.12 0.04 0.00 0.00 177.00 175.53 1wft s SER 12 N 0.51 3.08 -0.68 6.66 0.01 -1.24 -4.80 113.70 117.25 1wft s SER 12 Ca 0.58 -0.97 -0.01 0.00 1.31 0.00 0.00 55.95 56.86 1wft s SER 12 Cb -0.36 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.65 1wft s SER 12 CO 0.36 -0.02 0.57 0.41 0.41 0.00 0.00 173.24 174.97 1wft n THR 13 N -0.23 -2.78 -2.46 1.44 -1.04 -1.26 -3.24 114.28 104.71 1wft n THR 13 Ca -0.09 -0.19 -0.43 0.00 -2.04 0.00 0.00 64.05 61.30 1wft n THR 13 Cb 0.59 -3.56 -0.02 0.00 -1.82 0.00 0.00 70.33 65.51 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 -3.19 4.32 0.03 12.58 1.01 -1.26 -4.07 120.40 129.82 1wft s VAL 14 Ca 0.09 1.61 0.06 0.00 0.00 0.00 0.00 61.98 63.75 1wft s VAL 14 Cb -0.04 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1wft s VAL 14 CO 0.40 -0.11 -0.15 -0.13 0.00 0.00 0.00 175.10 175.11 1wft s ARG 15 N 3.14 2.22 -0.08 2.72 0.52 -0.19 -4.96 118.95 122.32 1wft s ARG 15 Ca 0.54 -0.90 0.01 0.00 -0.52 0.00 0.00 55.73 54.86 1wft s ARG 15 Cb -0.22 -2.28 0.02 0.00 0.52 0.00 0.00 34.95 32.99 1wft s ARG 15 CO 0.16 0.56 -0.09 0.42 0.02 0.00 0.00 175.30 176.37 1wft s ILE 16 N -0.94 0.96 0.12 1.52 1.01 -1.26 0.01 121.20 122.62 1wft s ILE 16 Ca 0.15 -0.32 0.09 0.00 0.00 0.00 0.00 60.65 60.57 1wft s ILE 16 Cb -0.11 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 1wft s ILE 16 CO 0.06 0.33 -0.18 -0.44 0.00 0.00 0.00 174.94 174.71 1wft s SER 17 N 1.14 3.89 -0.23 3.58 0.01 -0.77 -4.98 113.70 116.34 1wft s SER 17 Ca -0.06 -0.56 -0.19 0.00 1.31 0.00 0.00 55.95 56.46 1wft s SER 17 Cb -0.14 -0.55 -0.03 0.00 0.21 0.00 0.00 66.02 65.51 1wft s SER 17 CO -0.02 0.18 0.53 -0.75 0.41 0.00 0.00 173.24 173.60 1wft s LYS 18 N -2.13 4.14 0.19 12.44 2.47 -1.26 -0.64 119.74 134.94 1wft s LYS 18 Ca 0.18 0.41 0.10 0.00 -1.56 0.00 0.00 55.97 55.09 1wft s LYS 18 Cb -0.11 -3.60 -0.04 0.00 -1.46 0.00 0.00 37.83 32.62 1wft s LYS 18 CO 0.10 -0.25 -0.15 -0.80 0.16 0.00 0.00 175.35 174.41 1wft s ASN 19 N 1.32 3.94 0.28 1.43 -0.87 0.17 -4.94 114.94 116.26 1wft s ASN 19 Ca 0.23 -0.70 0.01 0.00 -1.57 0.00 0.00 52.86 50.83 1wft s ASN 19 Cb -0.15 -0.54 0.56 0.00 -0.02 0.00 0.00 41.25 41.09 1wft s ASN 19 CO 0.09 0.11 1.80 1.62 -2.57 0.00 0.00 177.10 178.15 1wft h VAL 20 N 2.90 0.83 0.00 1.60 3.04 -2.00 0.28 116.25 122.89 1wft h VAL 20 Ca -0.46 -0.29 -0.01 0.00 -1.01 0.00 0.00 66.70 64.93 1wft h VAL 20 Cb 1.21 -0.07 -0.00 0.00 -2.01 0.00 0.00 31.29 30.41 1wft h VAL 20 CO 0.52 0.15 -0.05 0.44 -1.01 0.00 0.00 177.57 177.62 1wft h ASP 21 N 0.83 0.00 0.00 3.17 3.32 -1.95 -3.49 116.42 118.30 1wft h ASP 21 Ca 0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.54 1wft h ASP 21 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1wft h ASP 21 CO -0.31 0.05 0.00 0.61 -1.72 0.00 0.00 179.24 177.87 1wft n GLY 22 N 0.11 -0.30 3.39 2.75 0.00 0.98 -3.52 105.19 108.60 1wft n GLY 22 Ca 0.01 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 2.42 -0.32 -0.61 1.01 -0.49 0.45 121.20 123.67 1wft s ILE 23 Ca 0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 60.65 59.41 1wft s ILE 23 Cb 0.00 -1.96 0.06 0.00 0.01 0.00 0.00 42.46 40.57 1wft s ILE 23 CO 0.00 0.41 0.03 -2.28 0.00 0.00 0.00 174.94 173.10 1wft s HIS 24 N -0.81 3.35 -0.16 3.97 2.46 0.19 0.17 115.29 124.46 1wft s HIS 24 Ca 0.12 -2.06 -0.25 0.00 0.47 0.00 0.00 55.06 53.35 1wft s HIS 24 Cb -0.10 -2.34 -0.02 0.00 -0.13 0.00 0.00 32.58 29.99 1wft s HIS 24 CO 0.03 -0.84 0.83 -1.17 -2.47 0.00 0.00 174.74 171.11 1wft s LEU 25 N 1.21 4.19 0.22 8.88 2.96 -0.08 -1.85 118.68 134.21 1wft s LEU 25 Ca -0.02 1.19 0.05 0.00 -0.22 0.00 0.00 54.13 55.14 1wft s LEU 25 Cb -0.20 -3.24 -0.05 0.00 0.50 0.00 0.00 46.19 43.19 1wft s LEU 25 CO -0.02 -0.38 -0.06 -0.55 -1.32 0.00 0.00 176.35 174.01 1wft s SER 26 N 1.13 2.23 0.10 3.68 0.15 0.10 -0.09 113.70 121.01 1wft s SER 26 Ca 0.39 -1.13 -0.25 0.00 0.70 0.00 0.00 55.95 55.65 1wft s SER 26 Cb -0.17 -0.07 0.09 0.00 -1.71 0.00 0.00 66.02 64.16 1wft s SER 26 CO 0.13 -0.37 1.14 -1.66 1.20 0.00 0.00 173.24 173.69 1wft s TRP 27 N -3.20 0.04 0.18 3.44 -2.14 -0.26 -1.03 118.94 115.97 1wft s TRP 27 Ca 0.25 -0.32 0.10 0.00 2.66 0.00 0.00 56.10 58.79 1wft s TRP 27 Cb 0.03 0.64 -0.04 0.00 -3.10 0.00 0.00 33.47 31.00 1wft s TRP 27 CO 0.08 -0.65 -0.20 -1.21 -2.66 0.00 0.00 176.95 172.31 1wft s GLU 28 N -2.18 1.37 0.53 3.25 0.41 -1.20 -4.73 118.70 116.14 1wft s GLU 28 Ca 0.24 -1.46 -0.20 0.00 -0.41 0.00 0.00 54.97 53.14 1wft s GLU 28 Cb -0.01 -1.50 -0.06 0.00 -1.78 0.00 0.00 34.13 30.77 1wft s GLU 28 CO 0.02 0.31 1.14 -1.25 -0.49 0.00 0.00 175.26 174.99 1wft s PRO 29 N -2.80 3.42 0.28 0.39 0.04 -1.26 -3.70 135.00 131.37 1wft s PRO 29 Ca 0.18 1.64 -0.29 0.00 0.04 0.00 0.00 61.00 62.56 1wft s PRO 29 Cb -0.06 -2.07 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 1wft s PRO 29 CO 0.08 -0.80 1.25 -1.25 0.04 0.00 0.00 177.00 176.32 1wft s PRO 30 N -3.19 4.44 -0.36 0.56 0.04 -1.26 -4.77 135.00 130.46 1wft s PRO 30 Ca 0.71 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.79 1wft s PRO 30 Cb -0.25 -3.14 0.21 0.00 0.04 0.00 0.00 34.50 31.36 1wft s PRO 30 CO 0.28 -0.10 2.14 -2.37 0.04 0.00 0.00 177.00 176.99 1wft n THR 31 N 1.46 2.92 -4.93 1.26 5.66 -1.26 -4.88 114.28 114.51 1wft n THR 31 Ca 0.02 -1.95 -0.27 0.00 -3.05 0.00 0.00 64.05 58.80 1wft n THR 31 Cb 0.43 -1.36 -0.15 0.00 -1.55 0.00 0.00 70.33 67.69 1wft n THR 31 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1wft s SER 32 N 0.06 2.50 -1.01 1.09 0.01 -1.26 -5.06 113.70 110.02 1wft s SER 32 Ca 0.38 -0.43 -0.24 0.00 1.31 0.00 0.00 55.95 56.97 1wft s SER 32 Cb 0.28 -0.26 -0.06 0.00 0.21 0.00 0.00 66.02 66.20 1wft s SER 32 CO -0.04 0.23 1.94 -2.16 0.41 0.00 0.00 173.24 173.63 1wft s PRO 33 N -0.70 2.54 0.04 12.44 0.04 -1.26 -4.74 135.00 143.37 1wft s PRO 33 Ca 0.08 -0.62 -0.12 0.00 0.04 0.00 0.00 61.00 60.38 1wft s PRO 33 Cb -0.08 -5.13 -0.33 0.00 0.04 0.00 0.00 34.50 28.99 1wft s PRO 33 CO -0.00 -3.59 1.03 0.66 0.04 0.00 0.00 177.00 175.14 1wft h SER 34 N 10.70 0.71 0.00 6.66 4.64 -1.92 -3.50 113.55 130.84 1wft h SER 34 Ca 0.14 -0.77 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 1wft h SER 34 Cb 0.98 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1wft h SER 34 CO 1.22 1.60 0.00 0.61 -0.87 0.00 0.00 176.83 179.39 1wft n GLY 35 N 1.66 2.31 3.10 -0.77 0.00 -1.26 -4.91 105.19 105.32 1wft n GLY 35 Ca -0.15 -0.76 -0.05 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.20 -0.35 -0.44 1.61 0.01 -1.26 -5.12 114.94 108.18 1wft s ASN 36 Ca 0.00 0.64 -0.19 0.00 -0.71 0.00 0.00 52.86 52.61 1wft s ASN 36 Cb 0.00 1.50 0.03 0.00 0.41 0.00 0.00 41.25 43.19 1wft s ASN 36 CO 0.00 -0.27 0.52 -0.63 -1.51 0.00 0.00 177.10 175.21 1wft s ILE 37 N 2.66 4.99 0.08 0.60 1.01 -1.26 -3.33 121.20 125.95 1wft s ILE 37 Ca 0.10 -0.23 -0.33 0.00 0.00 0.00 0.00 60.65 60.19 1wft s ILE 37 Cb -0.14 -4.12 -0.17 0.00 0.01 0.00 0.00 42.46 38.04 1wft s ILE 37 CO -0.17 -0.52 1.60 -0.07 0.00 0.00 0.00 174.94 175.79 1wft h LEU 38 N 9.31 -1.01 -7.37 2.97 3.38 -1.77 -3.47 115.31 117.36 1wft h LEU 38 Ca -0.26 0.07 0.08 0.00 0.09 0.00 0.00 57.88 57.86 1wft h LEU 38 Cb 1.10 0.31 -0.10 0.00 0.09 0.00 0.00 40.66 42.06 1wft h LEU 38 CO 0.84 -0.59 0.36 -0.70 0.09 0.00 0.00 178.44 178.45 1wft s GLU 39 N -5.99 1.23 0.40 1.13 2.12 -1.14 -5.02 118.70 111.43 1wft s GLU 39 Ca -0.18 -0.58 0.08 0.00 0.36 0.00 0.00 54.97 54.65 1wft s GLU 39 Cb 0.04 0.49 -0.04 0.00 0.26 0.00 0.00 34.13 34.88 1wft s GLU 39 CO 0.62 -0.55 0.23 0.71 -0.54 0.00 0.00 175.26 175.72 1wft s TYR 40 N -3.49 2.66 -0.14 5.30 1.51 -1.10 -1.67 117.35 120.41 1wft s TYR 40 Ca 0.07 -0.52 -0.29 0.00 -1.01 0.00 0.00 57.07 55.32 1wft s TYR 40 Cb -0.02 -1.95 0.10 0.00 -0.11 0.00 0.00 41.96 39.98 1wft s TYR 40 CO -0.04 0.13 0.87 -1.54 -1.11 0.00 0.00 175.55 173.86 1wft s SER 41 N -3.95 -0.51 0.34 2.29 1.04 -1.19 -3.17 113.70 108.55 1wft s SER 41 Ca 0.42 0.65 0.08 0.00 0.48 0.00 0.00 55.95 57.57 1wft s SER 41 Cb 0.01 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 1wft s SER 41 CO 0.24 -0.41 0.28 0.00 0.98 0.00 0.00 173.24 174.33 1wft s ALA 42 N -0.87 3.80 -0.01 5.32 0.00 -1.20 -3.30 121.76 125.51 1wft s ALA 42 Ca -0.04 -1.69 -0.06 0.00 0.00 0.00 0.00 51.96 50.17 1wft s ALA 42 Cb -0.01 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 22.01 1wft s ALA 42 CO 0.04 0.00 0.13 0.71 0.00 0.00 0.00 175.76 176.64 1wft s TYR 43 N -2.33 -0.00 -0.08 0.00 1.51 0.11 -2.96 117.35 113.61 1wft s TYR 43 Ca 0.41 -0.01 -0.02 0.00 -1.01 0.00 0.00 57.07 56.44 1wft s TYR 43 Cb -0.05 -0.03 0.03 0.00 -0.11 0.00 0.00 41.96 41.80 1wft s TYR 43 CO 0.26 -0.23 0.02 -1.17 -1.11 0.00 0.00 175.55 173.32 1wft s LEU 44 N -1.01 0.51 0.10 -1.29 2.96 -1.03 -1.62 118.68 117.29 1wft s LEU 44 Ca -0.11 -0.11 -0.33 0.00 -0.22 0.00 0.00 54.13 53.36 1wft s LEU 44 Cb -0.06 -0.37 -0.12 0.00 0.50 0.00 0.00 46.19 46.14 1wft s LEU 44 CO 0.01 -0.22 1.76 0.00 -1.32 0.00 0.00 176.35 176.58 1wft n ALA 45 N 5.18 1.71 -4.16 5.97 0.00 -1.23 -3.37 120.51 124.61 1wft n ALA 45 Ca -0.06 0.35 -0.25 0.00 0.00 0.00 0.00 53.44 53.48 1wft n ALA 45 Cb 0.50 -2.49 -0.02 0.00 0.00 0.00 0.00 19.45 17.43 1wft n ALA 45 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1wft n ILE 46 N 4.35 0.00 -1.91 0.00 -5.35 -1.21 -1.52 119.36 113.73 1wft n ILE 46 Ca 0.19 -1.90 -0.29 0.00 -0.27 0.00 0.00 62.75 60.48 1wft n ILE 46 Cb 0.33 0.10 0.08 0.00 -1.74 0.00 0.00 39.64 38.41 1wft n ILE 46 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1wft s ARG 47 N -3.74 2.25 0.02 6.28 1.81 -0.78 -4.45 118.95 120.34 1wft s ARG 47 Ca 0.15 0.21 0.00 0.00 -1.72 0.00 0.00 55.73 54.37 1wft s ARG 47 Cb -0.01 -1.98 -0.01 0.00 -0.45 0.00 0.00 34.95 32.49 1wft s ARG 47 CO 0.10 -1.41 -0.03 0.95 -0.68 0.00 0.00 175.30 174.23 1wft s THR 48 N -3.50 0.15 0.36 0.02 -4.23 -1.26 -5.04 115.64 102.14 1wft s THR 48 Ca 0.61 -0.63 -0.28 0.00 -1.18 0.00 0.00 61.69 60.22 1wft s THR 48 Cb -0.11 -0.23 -0.10 0.00 1.34 0.00 0.00 72.50 73.40 1wft s THR 48 CO 0.50 -0.30 1.26 0.00 -0.54 0.00 0.00 174.62 175.53 1wft s ALA 49 N -0.95 3.37 0.01 3.99 0.00 -1.26 -4.97 121.76 121.95 1wft s ALA 49 Ca -0.10 1.17 -0.03 0.00 0.00 0.00 0.00 51.96 53.00 1wft s ALA 49 Cb -0.07 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 1wft s ALA 49 CO -0.01 -0.62 1.04 1.96 0.00 0.00 0.00 175.76 178.14 1wft h GLN 50 N 3.13 -0.08 -5.46 0.00 4.20 -2.05 -3.38 115.11 111.46 1wft h GLN 50 Ca -0.49 0.01 -0.51 0.00 0.06 0.00 0.00 58.65 57.72 1wft h GLN 50 Cb 1.23 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 29.00 1wft h GLN 50 CO 0.64 -0.05 1.65 -0.12 -0.67 0.00 0.00 178.83 180.28 1wft n MET 51 N -2.52 0.71 -3.96 1.46 1.56 -1.26 -4.84 117.12 108.27 1wft n MET 51 Ca -0.01 0.05 -0.10 0.00 -0.27 0.00 0.00 57.70 57.36 1wft n MET 51 Cb 0.04 -2.65 -0.03 0.00 2.15 0.00 0.00 33.22 32.74 1wft n MET 51 CO 0.00 0.00 0.00 -1.14 -0.73 0.00 0.00 175.97 174.10 1wft s GLN 52 N 8.20 1.86 0.00 2.12 0.74 -1.26 -5.12 119.66 126.20 1wft s GLN 52 Ca 1.13 -1.41 0.00 0.00 0.05 0.00 0.00 55.36 55.13 1wft s GLN 52 Cb -0.64 0.52 0.00 0.00 1.10 0.00 0.00 33.01 33.99 1wft s GLN 52 CO 0.37 -0.81 0.00 -0.25 -0.55 0.00 0.00 175.29 174.05 1wft n ASP 53 N -0.94 0.00 -3.71 6.67 8.00 -1.26 -5.04 116.55 120.26 1wft n ASP 53 Ca -0.03 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.14 1wft n ASP 53 Cb 0.61 -0.24 0.03 0.00 -0.02 0.00 0.00 41.12 41.50 1wft n ASP 53 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1wft n ASN 54 N -2.27 -5.17 -3.98 -2.24 6.94 -1.26 -4.93 115.26 102.35 1wft n ASN 54 Ca 0.00 0.24 -0.30 0.00 -0.02 0.00 0.00 54.58 54.50 1wft n ASN 54 Cb 0.00 -0.71 0.23 0.00 -2.36 0.00 0.00 39.78 36.94 1wft n ASN 54 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1wft s PRO 55 N -1.67 -0.94 -0.90 -0.53 0.04 -1.26 -4.89 135.00 124.84 1wft s PRO 55 Ca 0.39 0.04 -0.24 0.00 0.04 0.00 0.00 61.00 61.23 1wft s PRO 55 Cb -0.22 -1.62 -0.01 0.00 0.04 0.00 0.00 34.50 32.69 1wft s PRO 55 CO 0.73 -3.55 1.77 0.45 0.04 0.00 0.00 177.00 176.45 1wft s SER 56 N -3.81 5.57 -0.30 6.66 0.15 -1.26 -4.91 113.70 115.81 1wft s SER 56 Ca 0.70 -0.80 0.02 0.00 0.70 0.00 0.00 55.95 56.57 1wft s SER 56 Cb -0.11 -2.56 0.09 0.00 -1.71 0.00 0.00 66.02 61.72 1wft s SER 56 CO 0.56 -2.33 0.02 -1.10 1.20 0.00 0.00 173.24 171.59 1wft s GLN 57 N 6.39 1.44 -0.95 5.44 1.11 -1.26 -5.04 119.66 126.78 1wft s GLN 57 Ca 0.62 -1.44 -0.16 0.00 0.01 0.00 0.00 55.36 54.39 1wft s GLN 57 Cb -0.05 -2.77 -0.28 0.00 -1.01 0.00 0.00 33.01 28.90 1wft s GLN 57 CO -0.01 -0.83 2.30 1.28 0.01 0.00 0.00 175.29 178.05 1wft n LEU 58 N 4.50 -0.57 -4.72 2.90 4.77 -1.26 -4.84 117.00 117.77 1wft n LEU 58 Ca -0.03 -0.52 -0.41 0.00 -0.03 0.00 0.00 56.01 55.02 1wft n LEU 58 Cb 0.42 -0.79 -0.04 0.00 -2.33 0.00 0.00 43.42 40.69 1wft n LEU 58 CO 0.19 -1.45 0.70 0.54 -1.33 0.00 0.00 177.39 176.04 1wft s VAL 59 N 4.11 4.54 0.26 4.08 0.11 -1.26 -5.00 120.40 127.24 1wft s VAL 59 Ca 1.27 1.98 0.07 0.00 -2.93 0.00 0.00 61.98 62.36 1wft s VAL 59 Cb -0.82 -4.27 -0.03 0.00 -1.53 0.00 0.00 36.38 29.73 1wft s VAL 59 CO 0.48 0.24 0.25 -0.36 -3.33 0.00 0.00 175.10 172.38 1wft s PHE 60 N 0.43 3.17 -0.07 1.54 0.40 -1.26 -3.29 117.98 118.91 1wft s PHE 60 Ca 0.50 -0.11 -0.04 0.00 -0.60 0.00 0.00 56.93 56.69 1wft s PHE 60 Cb -0.23 -1.48 0.03 0.00 0.51 0.00 0.00 43.02 41.84 1wft s PHE 60 CO 0.30 0.46 0.15 0.00 0.70 0.00 0.00 175.22 176.83 1wft s MET 61 N -3.89 0.12 0.24 0.44 0.23 -1.22 -4.94 119.30 110.28 1wft s MET 61 Ca 0.34 0.33 -0.31 0.00 -1.03 0.00 0.00 55.69 55.03 1wft s MET 61 Cb -0.08 -0.10 -0.14 0.00 -1.53 0.00 0.00 34.83 32.98 1wft s MET 61 CO 0.26 -0.12 1.24 -2.13 -2.03 0.00 0.00 175.02 172.24 1wft n ARG 62 N 3.86 1.64 0.00 3.16 0.63 -1.26 -2.48 116.66 122.21 1wft n ARG 62 Ca -0.22 0.58 0.00 0.00 -0.92 0.00 0.00 57.85 57.29 1wft n ARG 62 Cb 0.54 -2.13 0.00 0.00 0.45 0.00 0.00 32.46 31.32 1wft n ARG 62 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 1wft n ILE 63 N 1.31 0.00 -3.87 5.15 -5.35 -1.15 -4.90 119.36 110.55 1wft n ILE 63 Ca 0.12 -0.22 -0.11 0.00 -0.27 0.00 0.00 62.75 62.27 1wft n ILE 63 Cb 0.30 0.72 -0.12 0.00 -1.74 0.00 0.00 39.64 38.80 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 -1.17 -0.01 -0.10 4.28 6.14 -1.26 -5.05 117.35 120.19 1wft s TYR 64 Ca 0.00 0.03 0.02 0.00 0.64 0.00 0.00 57.07 57.76 1wft s TYR 64 Cb 0.00 -0.02 0.01 0.00 0.42 0.00 0.00 41.96 42.37 1wft s TYR 64 CO 0.00 -0.15 -0.15 0.00 0.64 0.00 0.00 175.55 175.89 1wft n GLY 66 N 4.03 1.58 1.26 0.00 0.00 -1.19 -4.96 105.19 105.90 1wft n GLY 66 Ca -0.20 -1.22 0.09 0.00 0.00 0.00 0.00 46.02 44.68 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 4.18 -4.84 0.99 -0.00 -1.26 -2.71 117.00 113.36 1wft n LEU 67 Ca 0.00 -2.41 -0.32 0.00 -0.00 0.00 0.00 56.01 53.28 1wft n LEU 67 Cb 0.00 -0.49 -0.06 0.00 -0.00 0.00 0.00 43.42 42.87 1wft n LEU 67 CO 0.00 0.79 0.55 -0.75 -0.00 0.00 0.00 177.39 177.98 1wft s LYS 68 N -1.75 4.08 -0.27 1.47 2.20 -1.26 -4.79 119.74 119.42 1wft s LYS 68 Ca 0.44 0.89 0.05 0.00 -0.36 0.00 0.00 55.97 56.98 1wft s LYS 68 Cb 0.28 -2.28 0.50 0.00 -1.51 0.00 0.00 37.83 34.81 1wft s LYS 68 CO 0.21 0.01 1.56 0.25 -0.36 0.00 0.00 175.35 177.02 1wft n THR 69 N -0.70 2.35 -3.62 3.43 -2.24 -1.26 -4.81 114.28 107.43 1wft n THR 69 Ca 0.05 -1.22 -0.04 0.00 -2.27 0.00 0.00 64.05 60.58 1wft n THR 69 Cb 0.54 -0.55 -0.06 0.00 -2.10 0.00 0.00 70.33 68.16 1wft n THR 69 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wft s SER 70 N -0.57 -0.92 0.28 3.42 1.04 -1.26 -1.10 113.70 114.58 1wft s SER 70 Ca 0.39 1.38 0.04 0.00 0.48 0.00 0.00 55.95 58.23 1wft s SER 70 Cb 0.32 1.70 -0.06 0.00 0.10 0.00 0.00 66.02 68.08 1wft s SER 70 CO 0.09 -0.21 0.03 0.00 0.98 0.00 0.00 173.24 174.13 1wft s THR 72 N -3.38 2.74 -0.20 0.00 2.01 -1.26 -0.90 115.64 114.65 1wft s THR 72 Ca 0.33 -1.20 0.00 0.00 0.31 0.00 0.00 61.69 61.13 1wft s THR 72 Cb 0.07 -2.15 0.05 0.00 0.01 0.00 0.00 72.50 70.48 1wft s THR 72 CO 0.12 0.34 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.63 1wft s VAL 73 N -0.92 1.42 0.49 3.82 1.01 0.13 -4.95 120.40 121.40 1wft s VAL 73 Ca 0.14 -0.97 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 1wft s VAL 73 Cb -0.10 -1.60 -0.07 0.00 0.00 0.00 0.00 36.38 34.60 1wft s VAL 73 CO 0.05 0.05 0.92 0.42 0.00 0.00 0.00 175.10 176.54 1wft s THR 74 N 1.48 4.63 0.15 3.92 -4.23 -1.26 -1.40 115.64 118.93 1wft s THR 74 Ca -0.02 1.00 -0.22 0.00 -1.18 0.00 0.00 61.69 61.26 1wft s THR 74 Cb -0.17 -3.74 0.04 0.00 1.34 0.00 0.00 72.50 69.97 1wft s THR 74 CO -0.07 -0.68 1.63 0.00 -0.54 0.00 0.00 174.62 174.95 1wft h ALA 75 N 0.91 -0.11 -1.48 3.99 0.00 -1.97 -0.53 119.26 120.06 1wft h ALA 75 Ca -0.47 0.09 0.48 0.00 0.00 0.00 0.00 54.91 55.01 1wft h ALA 75 Cb 1.19 0.53 -0.11 0.00 0.00 0.00 0.00 17.79 19.39 1wft h ALA 75 CO 0.62 -0.67 1.00 0.41 0.00 0.00 0.00 179.25 180.61 1wft n GLY 76 N -1.38 -0.84 0.07 0.00 0.00 -1.26 0.20 105.19 101.98 1wft n GLY 76 Ca -0.00 0.69 -0.14 0.00 0.00 0.00 0.00 46.02 46.57 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 0.00 -1.60 1.61 4.20 -1.49 -3.31 115.11 114.51 1wft h GLN 77 Ca 0.85 0.00 0.47 0.00 0.06 0.00 0.00 58.65 60.03 1wft h GLN 77 Cb 2.96 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 30.67 1wft h GLN 77 CO -0.30 0.93 1.14 -0.07 -0.67 0.00 0.00 178.83 179.87 1wft h LEU 78 N -1.00 0.03 -0.80 1.46 3.38 0.14 0.58 115.31 119.10 1wft h LEU 78 Ca -0.05 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.04 1wft h LEU 78 Cb 0.98 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.67 1wft h LEU 78 CO -0.03 -0.02 0.44 0.00 0.09 0.00 0.00 178.44 178.92 1wft h ALA 79 N 1.23 1.14 0.00 1.53 0.00 -1.50 0.31 119.26 121.96 1wft h ALA 79 Ca 0.78 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.69 1wft h ALA 79 Cb 3.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 20.75 1wft h ALA 79 CO -0.06 0.03 -0.25 -2.95 0.00 0.00 0.00 179.25 176.03 1wft h ASN 80 N 0.72 0.00 -3.58 0.00 7.08 -0.04 -3.45 115.58 116.30 1wft h ASN 80 Ca 0.40 0.00 -0.53 0.00 -3.08 0.00 0.00 56.30 53.08 1wft h ASN 80 Cb 0.41 0.00 0.09 0.00 -2.08 0.00 0.00 38.32 36.74 1wft h ASN 80 CO -0.27 0.25 0.83 0.00 -2.08 0.00 0.00 177.43 176.16 1wft s ALA 81 N -3.50 3.66 -0.04 4.14 0.00 0.09 -1.87 121.76 124.25 1wft s ALA 81 Ca 0.02 1.55 -0.23 0.00 0.00 0.00 0.00 51.96 53.29 1wft s ALA 81 Cb 0.09 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1wft s ALA 81 CO 0.65 -0.98 0.68 -1.58 0.00 0.00 0.00 175.76 174.53 1wft s HIS 82 N -0.46 3.62 -0.23 0.00 5.65 -0.58 -4.74 115.29 118.54 1wft s HIS 82 Ca 0.58 1.26 -0.08 0.00 0.25 0.00 0.00 55.06 57.07 1wft s HIS 82 Cb -0.47 -2.76 -0.04 0.00 -1.18 0.00 0.00 32.58 28.14 1wft s HIS 82 CO 0.54 0.16 0.09 0.42 -0.65 0.00 0.00 174.74 175.29 1wft s ILE 83 N 0.50 4.62 -0.21 0.89 -1.09 -1.26 -4.58 121.20 120.06 1wft s ILE 83 Ca 0.36 -0.08 -0.23 0.00 -2.23 0.00 0.00 60.65 58.47 1wft s ILE 83 Cb -0.18 -3.14 -0.01 0.00 -1.58 0.00 0.00 42.46 37.55 1wft s ILE 83 CO 0.18 0.36 0.76 -0.62 -1.23 0.00 0.00 174.94 174.40 1wft s ASP 84 N 1.22 6.82 -0.22 3.58 2.15 -1.24 -4.93 116.67 124.05 1wft s ASP 84 Ca 0.05 1.01 0.12 0.00 0.43 0.00 0.00 52.55 54.15 1wft s ASP 84 Cb -0.14 -2.41 0.42 0.00 -0.30 0.00 0.00 42.92 40.49 1wft s ASP 84 CO 0.04 -0.40 1.26 -1.22 -0.17 0.00 0.00 175.17 174.68 1wft n TYR 85 N 5.47 0.21 -0.07 -5.34 4.01 -1.26 -3.63 117.16 116.54 1wft n TYR 85 Ca 0.03 -1.45 -0.13 0.00 -0.16 0.00 0.00 57.90 56.19 1wft n TYR 85 Cb 0.49 -0.28 -0.12 0.00 -0.31 0.00 0.00 39.34 39.12 1wft n TYR 85 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1wft h THR 86 N 0.91 1.60 0.00 -0.72 1.35 -2.01 -3.45 112.91 110.58 1wft h THR 86 Ca 0.04 -2.21 -0.02 0.00 -0.55 0.00 0.00 66.41 63.67 1wft h THR 86 Cb 1.13 3.04 -0.00 0.00 -1.73 0.00 0.00 68.15 70.58 1wft h THR 86 CO 0.07 0.54 -0.53 -0.24 -0.25 0.00 0.00 175.52 175.12 1wft n SER 87 N -4.62 0.83 -3.81 5.36 2.88 -1.26 -5.07 113.62 107.92 1wft n SER 87 Ca -0.09 0.11 -0.14 0.00 -1.33 0.00 0.00 58.87 57.42 1wft n SER 87 Cb 0.44 -0.27 -0.15 0.00 -0.75 0.00 0.00 64.21 63.47 1wft n SER 87 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1wft s ARG 88 N -2.09 -0.01 -0.83 -1.46 0.52 -1.26 -5.09 118.95 108.74 1wft s ARG 88 Ca -0.04 0.14 -0.25 0.00 -0.52 0.00 0.00 55.73 55.06 1wft s ARG 88 Cb 0.01 -0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.30 1wft s ARG 88 CO 0.05 -0.10 1.93 -1.25 0.02 0.00 0.00 175.30 175.94 1wft s PRO 89 N 0.66 2.57 0.18 3.54 0.04 -1.24 -4.62 135.00 136.14 1wft s PRO 89 Ca -0.05 -0.05 -0.01 0.00 0.04 0.00 0.00 61.00 60.92 1wft s PRO 89 Cb -0.08 -4.89 -0.04 0.00 0.04 0.00 0.00 34.50 29.53 1wft s PRO 89 CO -0.02 -3.21 0.10 0.00 0.04 0.00 0.00 177.00 173.90 1wft s ALA 90 N 9.83 1.11 -0.13 8.56 0.00 -1.25 -3.54 121.76 136.35 1wft s ALA 90 Ca 0.69 -1.63 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 1wft s ALA 90 Cb -0.08 1.15 -0.04 0.00 0.00 0.00 0.00 23.12 24.15 1wft s ALA 90 CO 0.05 -0.53 0.10 0.42 0.00 0.00 0.00 175.76 175.79 1wft s ILE 91 N -4.07 5.16 -0.34 0.00 1.01 0.69 -3.72 121.20 119.92 1wft s ILE 91 Ca 0.33 0.08 -0.11 0.00 0.00 0.00 0.00 60.65 60.95 1wft s ILE 91 Cb 0.07 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.29 1wft s ILE 91 CO 0.08 0.58 0.19 -0.69 0.00 0.00 0.00 174.94 175.10 1wft s VAL 92 N -0.66 4.71 0.53 2.92 1.01 -1.26 -0.20 120.40 127.45 1wft s VAL 92 Ca 0.12 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 61.64 1wft s VAL 92 Cb -0.12 -3.49 0.05 0.00 0.00 0.00 0.00 36.38 32.83 1wft s VAL 92 CO 0.02 -0.06 0.61 -0.36 0.00 0.00 0.00 175.10 175.32 1wft s PHE 93 N 1.61 1.75 -0.29 5.22 0.40 -0.83 -3.51 117.98 122.35 1wft s PHE 93 Ca 0.04 -0.70 -0.14 0.00 -0.60 0.00 0.00 56.93 55.53 1wft s PHE 93 Cb -0.18 -2.14 0.10 0.00 0.51 0.00 0.00 43.02 41.31 1wft s PHE 93 CO 0.07 -0.77 0.67 0.50 0.70 0.00 0.00 175.22 176.39 1wft s ARG 94 N -4.47 0.66 0.06 0.44 3.52 -0.64 -3.62 118.95 114.90 1wft s ARG 94 Ca 0.52 1.31 0.05 0.00 -0.13 0.00 0.00 55.73 57.47 1wft s ARG 94 Cb -0.05 0.41 -0.03 0.00 -1.56 0.00 0.00 34.95 33.72 1wft s ARG 94 CO 0.32 -0.17 -0.14 0.42 -0.81 0.00 0.00 175.30 174.92 1wft s ILE 95 N 2.10 1.09 -0.04 4.11 1.01 -1.21 0.08 121.20 128.34 1wft s ILE 95 Ca -0.08 -1.22 -0.29 0.00 0.00 0.00 0.00 60.65 59.06 1wft s ILE 95 Cb -0.08 -1.04 0.09 0.00 0.01 0.00 0.00 42.46 41.45 1wft s ILE 95 CO -0.20 -0.17 0.81 -0.55 0.00 0.00 0.00 174.94 174.83 1wft s SER 96 N -1.58 -0.49 -0.14 3.58 0.15 -1.21 -2.88 113.70 111.13 1wft s SER 96 Ca -0.01 0.34 -0.04 0.00 0.70 0.00 0.00 55.95 56.93 1wft s SER 96 Cb -0.09 0.44 -0.03 0.00 -1.71 0.00 0.00 66.02 64.63 1wft s SER 96 CO 0.02 -0.59 -0.00 0.00 1.20 0.00 0.00 173.24 173.87 1wft s ALA 97 N -2.05 3.19 -0.28 5.45 0.00 -1.26 -3.19 121.76 123.62 1wft s ALA 97 Ca -0.02 -0.79 -0.16 0.00 0.00 0.00 0.00 51.96 50.98 1wft s ALA 97 Cb -0.01 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 1wft s ALA 97 CO -0.01 0.32 0.44 0.21 0.00 0.00 0.00 175.76 176.72 1wft s LYS 98 N -0.01 3.99 0.34 0.00 2.20 -0.67 -3.95 119.74 121.63 1wft s LYS 98 Ca 0.03 0.11 0.03 0.00 -0.36 0.00 0.00 55.97 55.78 1wft s LYS 98 Cb -0.13 -3.67 0.03 0.00 -1.51 0.00 0.00 37.83 32.55 1wft s LYS 98 CO 0.02 -0.34 0.25 0.27 -0.36 0.00 0.00 175.35 175.19 1wft n ASN 99 N 5.45 2.08 -0.18 1.43 6.94 0.04 -2.33 115.26 128.68 1wft n ASN 99 Ca -0.07 -2.16 0.28 0.00 -0.02 0.00 0.00 54.58 52.61 1wft n ASN 99 Cb 0.50 -0.02 0.71 0.00 -2.36 0.00 0.00 39.78 38.61 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 0.03 0.00 -3.83 5.08 -1.95 -2.20 114.58 111.70 1wft h GLU 100 Ca -0.21 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1wft h GLU 100 Cb 0.78 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1wft h GLU 100 CO 0.34 0.02 -0.06 0.87 -1.00 0.00 0.00 179.01 179.17 1wft h LYS 101 N 0.03 0.00 0.00 2.33 1.79 -1.94 -3.51 116.57 115.27 1wft h LYS 101 Ca 0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.90 1wft h LYS 101 Cb 1.66 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.31 1wft h LYS 101 CO -0.02 0.34 0.00 0.41 -1.08 0.00 0.00 179.45 179.10 1wft n GLY 102 N 1.71 -0.60 3.49 3.86 0.00 -0.83 -5.11 105.19 107.71 1wft n GLY 102 Ca -0.04 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1wft n GLY 102 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wft s TYR 103 N -3.06 3.13 0.00 1.61 2.02 -1.26 -0.78 117.35 119.00 1wft s TYR 103 Ca 0.00 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.44 1wft s TYR 103 Cb 0.00 -2.26 0.00 0.00 -0.40 0.00 0.00 41.96 39.30 1wft s TYR 103 CO 0.00 -0.27 0.00 0.41 -1.57 0.00 0.00 175.55 174.12 1wft n GLY 104 N 4.83 1.05 3.71 0.71 0.00 -1.25 -4.97 105.19 109.26 1wft n GLY 104 Ca -0.16 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 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 0.57 4.32 -0.17 1.61 0.04 -1.26 -4.97 135.00 135.14 1wft s PRO 105 Ca 0.00 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 62.94 1wft s PRO 105 Cb 0.00 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.14 1wft s PRO 105 CO 0.00 -0.47 0.27 0.00 0.04 0.00 0.00 177.00 176.84 1wft s ALA 106 N 1.48 3.61 0.03 8.56 0.00 -1.26 -4.39 121.76 129.79 1wft s ALA 106 Ca 0.64 -0.49 -0.23 0.00 0.00 0.00 0.00 51.96 51.88 1wft s ALA 106 Cb -0.35 -2.36 -0.06 0.00 0.00 0.00 0.00 23.12 20.36 1wft s ALA 106 CO 0.29 0.10 0.69 0.99 0.00 0.00 0.00 175.76 177.83 1wft s THR 107 N 0.46 4.79 -0.11 0.00 2.01 -1.14 -4.92 115.64 116.73 1wft s THR 107 Ca 0.15 1.46 -0.05 0.00 0.31 0.00 0.00 61.69 63.56 1wft s THR 107 Cb -0.13 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1wft s THR 107 CO 0.03 0.40 0.07 -1.58 -0.69 0.00 0.00 174.62 172.85 1wft s GLN 108 N -0.21 3.27 -0.02 4.92 0.74 -1.26 -3.35 119.66 123.75 1wft s GLN 108 Ca 0.35 -0.28 0.00 0.00 0.05 0.00 0.00 55.36 55.48 1wft s GLN 108 Cb -0.20 -3.01 0.03 0.00 1.10 0.00 0.00 33.01 30.93 1wft s GLN 108 CO 0.21 0.70 0.02 -1.50 -0.55 0.00 0.00 175.29 174.17 1wft s ILE 109 N -0.84 0.01 -0.49 -2.34 2.07 -1.24 -5.00 121.20 113.37 1wft s ILE 109 Ca 0.13 0.19 -0.16 0.00 -1.41 0.00 0.00 60.65 59.40 1wft s ILE 109 Cb -0.12 -0.14 0.08 0.00 0.13 0.00 0.00 42.46 42.41 1wft s ILE 109 CO 0.03 0.11 0.45 -0.13 -1.91 0.00 0.00 174.94 173.49 1wft s ARG 110 N 1.11 3.00 -0.38 3.50 0.52 -1.25 -1.96 118.95 123.49 1wft s ARG 110 Ca -0.09 -1.36 -0.23 0.00 -0.52 0.00 0.00 55.73 53.53 1wft s ARG 110 Cb -0.13 -4.16 0.01 0.00 0.52 0.00 0.00 34.95 31.19 1wft s ARG 110 CO -0.03 -1.13 0.79 -0.46 0.02 0.00 0.00 175.30 174.50 1wft s TRP 111 N 1.80 3.09 -0.03 -0.53 -0.00 0.72 -4.80 118.94 119.19 1wft s TRP 111 Ca 0.05 0.51 -0.30 0.00 -0.00 0.00 0.00 56.10 56.36 1wft s TRP 111 Cb -0.25 -3.45 -0.04 0.00 -0.00 0.00 0.00 33.47 29.73 1wft s TRP 111 CO 0.07 -0.78 1.28 -0.51 -0.00 0.00 0.00 176.95 177.01 1wft s LEU 112 N 3.15 4.30 0.33 5.86 1.43 -1.26 -0.22 118.68 132.26 1wft s LEU 112 Ca 0.31 1.94 -0.28 0.00 -1.03 0.00 0.00 54.13 55.07 1wft s LEU 112 Cb -0.13 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.44 1wft s LEU 112 CO 0.18 -0.63 1.19 -1.10 0.23 0.00 0.00 176.35 176.22 1wft s GLN 113 N 2.23 4.40 0.00 1.70 -0.21 -1.23 -4.96 119.66 121.59 1wft s GLN 113 Ca 0.59 1.96 0.00 0.00 0.02 0.00 0.00 55.36 57.93 1wft s GLN 113 Cb -0.28 -3.02 0.00 0.00 1.00 0.00 0.00 33.01 30.72 1wft s GLN 113 CO 0.24 -0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.76 1wft n GLY 114 N 0.91 3.16 3.55 3.09 0.00 -1.26 -5.04 105.19 109.59 1wft n GLY 114 Ca 0.01 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 1wft n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wft s ASN 115 N 0.00 0.56 -0.17 1.61 4.22 -1.26 -5.12 114.94 114.78 1wft s ASN 115 Ca 0.00 -1.32 -0.01 0.00 -2.14 0.00 0.00 52.86 49.39 1wft s ASN 115 Cb 0.00 0.67 -0.00 0.00 1.28 0.00 0.00 41.25 43.19 1wft s ASN 115 CO 0.00 -1.31 -0.12 -0.44 -2.04 0.00 0.00 177.10 173.19 1wft s SER 116 N -3.17 3.84 -0.16 3.54 0.01 -1.26 -5.09 113.70 111.42 1wft s SER 116 Ca 0.27 -0.44 -0.29 0.00 1.31 0.00 0.00 55.95 56.79 1wft s SER 116 Cb -0.01 -1.61 -0.02 0.00 0.21 0.00 0.00 66.02 64.59 1wft s SER 116 CO 0.16 0.06 1.36 -0.75 0.41 0.00 0.00 173.24 174.48 1wft s LYS 117 N 0.98 4.17 -0.21 12.44 2.20 -1.26 -4.99 119.74 133.07 1wft s LYS 117 Ca -0.02 1.73 -0.02 0.00 -0.36 0.00 0.00 55.97 57.30 1wft s LYS 117 Cb -0.15 -3.83 0.06 0.00 -1.51 0.00 0.00 37.83 32.40 1wft s LYS 117 CO -0.02 -0.80 0.02 0.45 -0.36 0.00 0.00 175.35 174.64 1wft s SER 118 N 2.43 3.23 -0.27 1.43 0.15 -1.26 -4.93 113.70 114.48 1wft s SER 118 Ca 0.59 -0.98 -0.07 0.00 0.70 0.00 0.00 55.95 56.19 1wft s SER 118 Cb -0.24 -0.76 0.01 0.00 -1.71 0.00 0.00 66.02 63.33 1wft s SER 118 CO 0.19 -0.30 0.34 0.61 1.20 0.00 0.00 173.24 175.28 1wft n GLY 119 N 4.94 -1.00 3.77 9.45 0.00 -1.26 -5.01 105.19 116.09 1wft n GLY 119 Ca -0.09 0.57 -0.33 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.09 2.83 0.09 1.61 0.04 -1.26 -5.07 135.00 131.15 1wft s PRO 120 Ca 0.11 1.40 -0.24 0.00 0.04 0.00 0.00 61.00 62.31 1wft s PRO 120 Cb -0.03 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.62 1wft s PRO 120 CO 0.43 -1.23 0.58 -1.54 0.04 0.00 0.00 177.00 175.28 1wft s SER 121 N -2.55 -0.53 -0.42 6.66 1.04 -1.26 -5.13 113.70 111.51 1wft s SER 121 Ca 0.67 0.16 -0.17 0.00 0.48 0.00 0.00 55.95 57.09 1wft s SER 121 Cb -0.21 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.49 1wft s SER 121 CO 0.41 -0.83 0.41 -0.44 0.98 0.00 0.00 173.24 173.77 1wft s SER 122 N -2.26 6.18 0.00 7.02 0.01 -1.26 -5.16 113.70 118.23 1wft s SER 122 Ca -0.03 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.52 1wft s SER 122 Cb -0.00 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 64.01 1wft s SER 122 CO -0.06 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.65