#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 3.79 -0.30 1.61 1.04 -1.26 -5.06 113.70 113.53 1wft s SER 2 Ca 0.00 -2.63 -0.13 0.00 0.48 0.00 0.00 55.95 53.68 1wft s SER 2 Cb 0.00 -1.13 0.14 0.00 0.10 0.00 0.00 66.02 65.13 1wft s SER 2 CO 0.00 -0.27 0.80 -0.55 0.98 0.00 0.00 173.24 174.20 1wft s SER 3 N 0.33 -0.88 0.00 7.02 0.15 -1.26 -5.16 113.70 113.90 1wft s SER 3 Ca 0.17 1.23 0.00 0.00 0.70 0.00 0.00 55.95 58.05 1wft s SER 3 Cb -0.24 1.94 0.00 0.00 -1.71 0.00 0.00 66.02 66.01 1wft s SER 3 CO -0.01 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1wft n GLY 4 N 5.11 1.62 0.14 9.45 0.00 -1.26 -5.05 105.19 115.20 1wft n GLY 4 Ca -0.12 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.20 -4.08 1.61 0.87 -2.03 -3.45 113.55 106.28 1wft h SER 5 Ca 0.00 -0.29 -0.54 0.00 -1.23 0.00 0.00 61.79 59.74 1wft h SER 5 Cb 0.00 0.05 0.12 0.00 -0.44 0.00 0.00 62.40 62.13 1wft h SER 5 CO 0.00 0.36 0.52 -0.44 -0.53 0.00 0.00 176.83 176.73 1wft s SER 6 N -5.44 5.21 0.00 6.23 0.01 -1.26 -4.89 113.70 113.57 1wft s SER 6 Ca -0.11 2.52 0.00 0.00 1.31 0.00 0.00 55.95 59.67 1wft s SER 6 Cb 0.00 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1wft s SER 6 CO 0.39 -1.59 0.00 0.61 0.41 0.00 0.00 173.24 173.06 1wft n GLY 7 N 0.63 2.24 0.50 3.44 0.00 -1.26 -4.96 105.19 105.78 1wft n GLY 7 Ca 0.13 0.14 -0.04 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.33 -4.51 1.61 -0.04 -1.26 -4.96 135.00 124.50 1wft n PRO 8 Ca 0.00 -0.25 -0.32 0.00 -0.04 0.00 0.00 63.50 62.89 1wft n PRO 8 Cb 0.00 -0.24 -0.11 0.00 -0.04 0.00 0.00 33.50 33.12 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 -2.77 1.72 0.54 0.55 0.00 -1.26 -4.66 107.32 101.44 1wft s GLY 9 Ca 0.10 -1.02 -0.17 0.00 0.00 0.00 0.00 44.72 43.63 1wft s GLY 9 CO 0.08 -0.87 1.04 0.00 0.00 0.00 0.00 173.10 173.34 1wft s ALA 10 N -0.96 2.84 0.22 3.20 0.00 -1.26 -4.39 121.76 121.42 1wft s ALA 10 Ca 0.16 0.42 -0.30 0.00 0.00 0.00 0.00 51.96 52.25 1wft s ALA 10 Cb -0.11 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 1wft s ALA 10 CO 0.06 -0.53 1.29 -1.25 0.00 0.00 0.00 175.76 175.33 1wft s PRO 11 N -3.79 4.41 0.45 0.00 0.04 -1.26 -4.61 135.00 130.24 1wft s PRO 11 Ca 0.64 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.79 1wft s PRO 11 Cb -0.15 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 1wft s PRO 11 CO 0.30 -0.20 0.14 -1.12 0.04 0.00 0.00 177.00 176.16 1wft s SER 12 N 0.13 4.29 -1.37 6.66 0.01 -1.24 -4.76 113.70 117.41 1wft s SER 12 Ca 0.55 -1.26 -0.04 0.00 1.31 0.00 0.00 55.95 56.51 1wft s SER 12 Cb -0.36 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.69 1wft s SER 12 CO 0.40 -0.65 0.45 0.41 0.41 0.00 0.00 173.24 174.26 1wft n THR 13 N -1.26 -3.30 -2.66 1.44 -1.04 -1.26 -3.39 114.28 102.81 1wft n THR 13 Ca -0.05 -0.56 -0.43 0.00 -2.04 0.00 0.00 64.05 60.97 1wft n THR 13 Cb 0.65 -2.77 -0.02 0.00 -1.82 0.00 0.00 70.33 66.37 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 -3.91 4.68 0.07 12.58 1.01 -1.26 -4.19 120.40 129.39 1wft s VAL 14 Ca 0.08 2.01 0.04 0.00 0.00 0.00 0.00 61.98 64.11 1wft s VAL 14 Cb -0.03 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1wft s VAL 14 CO 0.89 -0.14 -0.00 -0.13 0.00 0.00 0.00 175.10 175.72 1wft s ARG 15 N 2.97 2.59 -0.06 2.72 3.00 -0.74 -4.98 118.95 124.45 1wft s ARG 15 Ca 0.45 -0.80 0.00 0.00 0.00 0.00 0.00 55.73 55.39 1wft s ARG 15 Cb -0.16 -2.56 0.02 0.00 0.00 0.00 0.00 34.95 32.25 1wft s ARG 15 CO 0.09 0.56 -0.03 0.42 0.00 0.00 0.00 175.30 176.33 1wft s ILE 16 N -1.26 0.50 -0.09 1.52 1.01 -1.26 -1.61 121.20 120.01 1wft s ILE 16 Ca 0.24 -0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.83 1wft s ILE 16 Cb -0.12 -0.57 0.04 0.00 0.01 0.00 0.00 42.46 41.82 1wft s ILE 16 CO 0.17 0.24 0.04 -0.55 0.00 0.00 0.00 174.94 174.84 1wft s SER 17 N 1.31 1.71 0.24 3.58 0.15 -1.06 -5.04 113.70 114.59 1wft s SER 17 Ca -0.05 -0.20 -0.30 0.00 0.70 0.00 0.00 55.95 56.10 1wft s SER 17 Cb -0.14 -0.33 -0.10 0.00 -1.71 0.00 0.00 66.02 63.75 1wft s SER 17 CO -0.02 -0.25 1.44 -1.59 1.20 0.00 0.00 173.24 174.02 1wft s LYS 18 N 2.05 4.27 0.28 5.44 0.00 -1.26 -2.16 119.74 128.35 1wft s LYS 18 Ca 0.04 2.29 0.07 0.00 0.00 0.00 0.00 55.97 58.37 1wft s LYS 18 Cb -0.13 -3.12 -0.03 0.00 0.00 0.00 0.00 37.83 34.55 1wft s LYS 18 CO -0.05 -0.43 0.26 1.21 0.00 0.00 0.00 175.35 176.34 1wft s ASN 19 N 0.44 5.56 0.00 0.03 2.47 0.11 -4.85 114.94 118.70 1wft s ASN 19 Ca 0.60 -0.29 0.01 0.00 0.42 0.00 0.00 52.86 53.60 1wft s ASN 19 Cb -0.42 -1.31 0.04 0.00 -1.45 0.00 0.00 41.25 38.11 1wft s ASN 19 CO 0.42 -0.16 1.03 0.52 -3.72 0.00 0.00 177.10 175.19 1wft n VAL 20 N -1.29 1.93 0.60 -5.21 0.31 -1.26 -0.04 118.33 113.37 1wft n VAL 20 Ca -0.06 0.48 0.07 0.00 -0.01 0.00 0.00 64.34 64.83 1wft n VAL 20 Cb 0.58 -1.47 0.04 0.00 -0.91 0.00 0.00 33.84 32.08 1wft n VAL 20 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1wft n ASP 21 N -1.50 1.91 0.00 4.52 -0.08 -1.26 -4.09 116.55 116.05 1wft n ASP 21 Ca 0.00 -1.45 0.00 0.00 -1.51 0.00 0.00 54.79 51.83 1wft n ASP 21 Cb 0.01 0.18 0.00 0.00 2.34 0.00 0.00 41.12 43.65 1wft n ASP 21 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wft n GLY 22 N 0.89 0.32 3.26 0.27 0.00 0.94 -4.68 105.19 106.19 1wft n GLY 22 Ca 0.07 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 1wft n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wft s ILE 23 N 0.00 1.75 -0.28 -0.61 1.01 -1.18 0.04 121.20 121.94 1wft s ILE 23 Ca 0.00 -1.18 0.02 0.00 0.00 0.00 0.00 60.65 59.48 1wft s ILE 23 Cb 0.00 -1.51 0.08 0.00 0.01 0.00 0.00 42.46 41.04 1wft s ILE 23 CO 0.00 0.28 -0.01 -2.28 0.00 0.00 0.00 174.94 172.94 1wft s HIS 24 N -0.75 2.75 -0.07 3.97 2.46 -0.92 -1.89 115.29 120.85 1wft s HIS 24 Ca 0.08 -2.16 -0.23 0.00 0.47 0.00 0.00 55.06 53.22 1wft s HIS 24 Cb -0.09 -2.01 -0.04 0.00 -0.13 0.00 0.00 32.58 30.32 1wft s HIS 24 CO 0.01 -0.85 0.70 -1.17 -2.47 0.00 0.00 174.74 170.96 1wft s LEU 25 N 1.27 4.32 0.12 8.88 2.96 -0.40 -2.56 118.68 133.27 1wft s LEU 25 Ca 0.01 1.19 0.03 0.00 -0.22 0.00 0.00 54.13 55.14 1wft s LEU 25 Cb -0.19 -3.08 -0.04 0.00 0.50 0.00 0.00 46.19 43.38 1wft s LEU 25 CO -0.10 -0.11 -0.07 -0.94 -1.32 0.00 0.00 176.35 173.81 1wft s SER 26 N 0.79 1.36 0.13 3.68 1.04 -0.63 -0.82 113.70 119.25 1wft s SER 26 Ca 0.37 -1.03 -0.25 0.00 0.48 0.00 0.00 55.95 55.53 1wft s SER 26 Cb -0.18 0.06 0.08 0.00 0.10 0.00 0.00 66.02 66.09 1wft s SER 26 CO 0.18 -0.43 1.08 -1.66 0.98 0.00 0.00 173.24 173.39 1wft s TRP 27 N -3.53 0.00 0.11 5.02 -2.14 -0.94 -1.79 118.94 115.68 1wft s TRP 27 Ca 0.15 -0.31 0.11 0.00 2.66 0.00 0.00 56.10 58.70 1wft s TRP 27 Cb 0.04 0.65 -0.04 0.00 -3.10 0.00 0.00 33.47 31.03 1wft s TRP 27 CO -0.02 -0.74 -0.27 -1.21 -2.66 0.00 0.00 176.95 172.05 1wft s GLU 28 N -2.45 1.50 0.37 3.25 0.41 -1.22 -4.75 118.70 115.81 1wft s GLU 28 Ca 0.19 -1.29 -0.27 0.00 -0.41 0.00 0.00 54.97 53.19 1wft s GLU 28 Cb -0.01 -1.92 -0.09 0.00 -1.78 0.00 0.00 34.13 30.33 1wft s GLU 28 CO 0.03 0.46 1.20 -1.25 -0.49 0.00 0.00 175.26 175.22 1wft s PRO 29 N -1.87 4.19 0.50 0.39 0.04 -1.26 -3.69 135.00 133.29 1wft s PRO 29 Ca 0.14 1.95 -0.21 0.00 0.04 0.00 0.00 61.00 62.91 1wft s PRO 29 Cb -0.10 -2.84 -0.07 0.00 0.04 0.00 0.00 34.50 31.53 1wft s PRO 29 CO 0.05 -0.23 1.15 -1.25 0.04 0.00 0.00 177.00 176.76 1wft s PRO 30 N -2.06 3.58 0.00 0.56 0.04 -1.26 -4.86 135.00 131.00 1wft s PRO 30 Ca 0.53 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1wft s PRO 30 Cb -0.34 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1wft s PRO 30 CO 0.43 -0.68 0.00 -2.37 0.04 0.00 0.00 177.00 174.42 1wft n THR 31 N -0.84 0.00 0.14 1.26 5.66 -1.18 -3.87 114.28 115.46 1wft n THR 31 Ca 0.09 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.93 1wft n THR 31 Cb 0.49 -0.52 -0.09 0.00 -1.55 0.00 0.00 70.33 68.66 1wft n THR 31 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1wft h SER 32 N 0.00 -1.47 0.02 1.09 0.02 -1.99 -3.19 113.55 108.04 1wft h SER 32 Ca 0.00 0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1wft h SER 32 Cb 0.29 0.53 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1wft h SER 32 CO 0.00 -0.55 -0.01 1.55 -1.14 0.00 0.00 176.83 176.68 1wft h PRO 33 N -0.76 -0.03 -1.81 3.45 0.13 -1.96 -3.47 132.00 127.55 1wft h PRO 33 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1wft h PRO 33 Cb 0.74 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 31.66 1wft h PRO 33 CO -0.23 0.45 0.32 0.45 -0.23 0.00 0.00 178.00 178.77 1wft s SER 34 N -5.66 -0.56 -0.12 1.44 0.15 -1.20 -4.82 113.70 102.92 1wft s SER 34 Ca -0.16 0.83 0.01 0.00 0.70 0.00 0.00 55.95 57.34 1wft s SER 34 Cb 0.02 0.76 -0.08 0.00 -1.71 0.00 0.00 66.02 65.00 1wft s SER 34 CO 0.66 -0.37 -0.11 0.61 1.20 0.00 0.00 173.24 175.23 1wft n GLY 35 N 1.53 -0.18 3.56 9.45 0.00 -1.25 -3.08 105.19 115.21 1wft n GLY 35 Ca -0.14 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 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 -5.18 4.34 -0.39 1.61 0.01 -1.26 -4.88 114.94 109.19 1wft s ASN 36 Ca -0.16 -0.21 -0.02 0.00 -0.71 0.00 0.00 52.86 51.75 1wft s ASN 36 Cb 0.04 -2.55 0.10 0.00 0.41 0.00 0.00 41.25 39.25 1wft s ASN 36 CO 0.29 -3.47 0.17 -0.63 -1.51 0.00 0.00 177.10 171.95 1wft s ILE 37 N 13.08 3.21 0.18 0.60 -1.09 -1.26 -4.84 121.20 131.07 1wft s ILE 37 Ca 0.84 -1.98 -0.25 0.00 -2.23 0.00 0.00 60.65 57.03 1wft s ILE 37 Cb -0.11 -3.17 0.06 0.00 -1.58 0.00 0.00 42.46 37.66 1wft s ILE 37 CO 0.05 -0.61 1.56 -0.07 -1.23 0.00 0.00 174.94 174.64 1wft h LEU 38 N 8.02 -1.55 -8.32 2.97 3.38 -1.82 -3.45 115.31 114.54 1wft h LEU 38 Ca -0.13 0.26 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 1wft h LEU 38 Cb 1.05 0.72 -0.05 0.00 0.09 0.00 0.00 40.66 42.47 1wft h LEU 38 CO 0.67 -0.32 -0.00 -1.61 0.09 0.00 0.00 178.44 177.27 1wft s GLU 39 N -5.82 2.05 0.27 1.13 2.02 -1.26 -4.97 118.70 112.12 1wft s GLU 39 Ca -0.14 -1.64 0.04 0.00 0.02 0.00 0.00 54.97 53.26 1wft s GLU 39 Cb 0.14 0.52 -0.06 0.00 0.10 0.00 0.00 34.13 34.83 1wft s GLU 39 CO 0.67 -0.90 0.00 0.71 0.02 0.00 0.00 175.26 175.76 1wft s TYR 40 N -2.74 1.77 -0.13 1.61 2.02 -1.10 -2.87 117.35 115.91 1wft s TYR 40 Ca 0.24 -0.88 -0.29 0.00 -0.37 0.00 0.00 57.07 55.77 1wft s TYR 40 Cb -0.02 -1.06 0.09 0.00 -0.40 0.00 0.00 41.96 40.57 1wft s TYR 40 CO 0.17 0.05 0.82 -1.54 -1.57 0.00 0.00 175.55 173.48 1wft s SER 41 N -3.39 -0.55 0.30 2.29 1.04 -1.25 -3.02 113.70 109.12 1wft s SER 41 Ca 0.31 0.71 0.10 0.00 0.48 0.00 0.00 55.95 57.55 1wft s SER 41 Cb 0.06 0.60 -0.05 0.00 0.10 0.00 0.00 66.02 66.73 1wft s SER 41 CO 0.11 -0.44 -0.04 0.00 0.98 0.00 0.00 173.24 173.85 1wft s ALA 42 N -0.84 3.08 0.07 5.32 0.00 -1.05 -3.36 121.76 124.97 1wft s ALA 42 Ca -0.05 -1.86 -0.05 0.00 0.00 0.00 0.00 51.96 50.00 1wft s ALA 42 Cb -0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 1wft s ALA 42 CO 0.05 0.17 0.09 0.71 0.00 0.00 0.00 175.76 176.78 1wft s TYR 43 N -2.46 0.32 -0.10 0.00 1.51 0.13 -3.35 117.35 113.40 1wft s TYR 43 Ca 0.33 -0.80 -0.07 0.00 -1.01 0.00 0.00 57.07 55.51 1wft s TYR 43 Cb -0.03 -0.21 0.03 0.00 -0.11 0.00 0.00 41.96 41.64 1wft s TYR 43 CO 0.18 -0.46 0.25 -1.17 -1.11 0.00 0.00 175.55 173.24 1wft s LEU 44 N -2.87 0.84 -0.05 -1.29 2.96 -0.61 -1.98 118.68 115.69 1wft s LEU 44 Ca 0.06 0.51 -0.30 0.00 -0.22 0.00 0.00 54.13 54.18 1wft s LEU 44 Cb 0.06 0.81 -0.03 0.00 0.50 0.00 0.00 46.19 47.54 1wft s LEU 44 CO -0.10 -0.11 1.06 0.00 -1.32 0.00 0.00 176.35 175.87 1wft s ALA 45 N 0.51 3.35 0.04 5.97 0.00 -1.25 -0.70 121.76 129.68 1wft s ALA 45 Ca -0.03 0.52 0.04 0.00 0.00 0.00 0.00 51.96 52.49 1wft s ALA 45 Cb -0.05 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 1wft s ALA 45 CO -0.03 -0.52 -0.11 0.96 0.00 0.00 0.00 175.76 176.06 1wft s ILE 46 N 1.68 0.86 -0.11 0.00 -0.00 -0.84 -2.40 121.20 120.38 1wft s ILE 46 Ca 0.52 -1.01 -0.10 0.00 -0.00 0.00 0.00 60.65 60.06 1wft s ILE 46 Cb -0.22 -0.82 -0.05 0.00 -0.00 0.00 0.00 42.46 41.37 1wft s ILE 46 CO 0.23 -0.16 0.21 0.00 -0.00 0.00 0.00 174.94 175.22 1wft s ARG 47 N -1.31 3.76 0.07 0.37 1.70 -1.20 -4.57 118.95 117.77 1wft s ARG 47 Ca -0.03 -0.01 0.03 0.00 -0.47 0.00 0.00 55.73 55.25 1wft s ARG 47 Cb -0.08 -3.26 -0.04 0.00 -0.57 0.00 0.00 34.95 30.99 1wft s ARG 47 CO 0.01 0.61 0.05 0.95 -1.08 0.00 0.00 175.30 175.85 1wft s THR 48 N -0.62 4.40 -0.52 4.99 -4.23 -1.26 -5.03 115.64 113.37 1wft s THR 48 Ca 0.16 -0.77 0.02 0.00 -1.18 0.00 0.00 61.69 59.92 1wft s THR 48 Cb -0.13 -3.09 0.44 0.00 1.34 0.00 0.00 72.50 71.06 1wft s THR 48 CO 0.05 0.17 1.59 0.00 -0.54 0.00 0.00 174.62 175.88 1wft n ALA 49 N 0.63 5.69 -2.96 3.99 0.00 -1.26 -4.99 120.51 121.62 1wft n ALA 49 Ca -0.10 -3.80 -0.33 0.00 0.00 0.00 0.00 53.44 49.21 1wft n ALA 49 Cb 0.52 -1.09 -0.13 0.00 0.00 0.00 0.00 19.45 18.75 1wft n ALA 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1wft s GLN 50 N -3.74 3.43 -0.22 0.00 0.74 -1.26 -5.05 119.66 113.56 1wft s GLN 50 Ca 0.56 -0.60 -0.34 0.00 0.05 0.00 0.00 55.36 55.02 1wft s GLN 50 Cb 0.45 -2.75 -0.11 0.00 1.10 0.00 0.00 33.01 31.70 1wft s GLN 50 CO -0.07 0.28 2.02 -0.12 -0.55 0.00 0.00 175.29 176.86 1wft n MET 51 N 3.36 1.63 -3.64 1.67 0.00 -1.26 -4.92 117.12 113.97 1wft n MET 51 Ca -0.18 0.54 -0.06 0.00 -0.00 0.00 0.00 57.70 58.00 1wft n MET 51 Cb 0.53 -2.59 -0.07 0.00 0.00 0.00 0.00 33.22 31.08 1wft n MET 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 1wft s GLN 52 N 5.09 0.62 -1.10 2.12 0.74 -1.26 -5.09 119.66 120.78 1wft s GLN 52 Ca 1.01 1.07 -0.20 0.00 0.05 0.00 0.00 55.36 57.29 1wft s GLN 52 Cb -0.75 0.12 0.09 0.00 1.10 0.00 0.00 33.01 33.57 1wft s GLN 52 CO 0.50 -0.13 1.46 0.16 -0.55 0.00 0.00 175.29 176.74 1wft s ASP 53 N 1.54 6.69 0.00 6.67 -4.77 -1.26 -4.94 116.67 120.60 1wft s ASP 53 Ca -0.10 -2.02 0.00 0.00 -3.30 0.00 0.00 52.55 47.14 1wft s ASP 53 Cb -0.05 -2.52 -0.00 0.00 -1.09 0.00 0.00 42.92 39.26 1wft s ASP 53 CO -0.18 -1.24 -0.01 0.54 0.70 0.00 0.00 175.17 174.97 1wft s ASN 54 N 4.26 0.11 0.94 2.11 4.22 -1.26 -5.16 114.94 120.16 1wft s ASN 54 Ca 0.45 -0.11 -0.12 0.00 -2.14 0.00 0.00 52.86 50.94 1wft s ASN 54 Cb -0.00 0.01 0.15 0.00 1.28 0.00 0.00 41.25 42.70 1wft s ASN 54 CO -0.04 -0.06 1.09 -2.16 -2.04 0.00 0.00 177.10 173.90 1wft s PRO 55 N -0.32 0.92 -0.80 3.55 0.04 -1.26 -4.85 135.00 132.27 1wft s PRO 55 Ca -0.03 0.69 -0.26 0.00 0.04 0.00 0.00 61.00 61.44 1wft s PRO 55 Cb -0.02 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.62 1wft s PRO 55 CO -0.00 -2.44 2.30 0.45 0.04 0.00 0.00 177.00 177.35 1wft s SER 56 N -3.44 4.20 -0.43 6.66 0.15 -1.26 -4.85 113.70 114.73 1wft s SER 56 Ca 0.64 -0.05 0.03 0.00 0.70 0.00 0.00 55.95 57.27 1wft s SER 56 Cb -0.18 -2.55 0.12 0.00 -1.71 0.00 0.00 66.02 61.70 1wft s SER 56 CO 0.57 -3.57 0.19 -1.58 1.20 0.00 0.00 173.24 170.05 1wft s GLN 57 N 8.43 1.47 -0.46 5.44 2.00 -1.26 -5.08 119.66 130.21 1wft s GLN 57 Ca 0.88 -2.06 -0.44 0.00 -2.00 0.00 0.00 55.36 51.73 1wft s GLN 57 Cb -0.12 -2.78 -0.19 0.00 0.80 0.00 0.00 33.01 30.73 1wft s GLN 57 CO 0.07 -1.08 1.81 1.28 -0.50 0.00 0.00 175.29 176.87 1wft n LEU 58 N 3.71 1.32 -4.41 3.68 4.77 -1.26 -4.90 117.00 119.91 1wft n LEU 58 Ca 0.05 0.98 -0.37 0.00 -0.03 0.00 0.00 56.01 56.65 1wft n LEU 58 Cb 0.36 -0.95 -0.13 0.00 -2.33 0.00 0.00 43.42 40.38 1wft n LEU 58 CO 0.25 -0.75 -0.28 -0.69 -1.33 0.00 0.00 177.39 174.60 1wft s VAL 59 N 4.18 4.18 -0.14 4.08 1.01 -1.26 -5.05 120.40 127.40 1wft s VAL 59 Ca 1.08 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.63 1wft s VAL 59 Cb -1.40 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 1wft s VAL 59 CO 0.73 0.24 0.09 -0.36 0.00 0.00 0.00 175.10 175.80 1wft s PHE 60 N 1.57 3.39 0.10 5.22 0.40 -1.26 -1.99 117.98 125.41 1wft s PHE 60 Ca 0.05 0.31 0.08 0.00 -0.60 0.00 0.00 56.93 56.77 1wft s PHE 60 Cb -0.16 -1.98 -0.04 0.00 0.51 0.00 0.00 43.02 41.35 1wft s PHE 60 CO 0.03 0.46 -0.14 0.00 0.70 0.00 0.00 175.22 176.27 1wft s MET 61 N -0.42 1.97 -0.30 0.44 0.23 0.12 -4.77 119.30 116.57 1wft s MET 61 Ca 0.10 -1.09 -0.29 0.00 -1.03 0.00 0.00 55.69 53.39 1wft s MET 61 Cb -0.12 -2.21 -0.01 0.00 -1.53 0.00 0.00 34.83 30.96 1wft s MET 61 CO 0.02 0.50 1.58 0.50 -2.03 0.00 0.00 175.02 175.58 1wft s ARG 62 N -2.10 3.66 -0.01 3.16 3.52 -1.26 -1.57 118.95 124.35 1wft s ARG 62 Ca 0.19 1.41 0.20 0.00 -0.13 0.00 0.00 55.73 57.40 1wft s ARG 62 Cb -0.11 -4.05 -0.24 0.00 -1.56 0.00 0.00 34.95 28.99 1wft s ARG 62 CO 0.11 -1.46 0.75 0.44 -0.81 0.00 0.00 175.30 174.34 1wft n ILE 63 N 6.76 0.00 -3.72 4.11 -5.35 -1.21 -4.93 119.36 115.01 1wft n ILE 63 Ca 0.19 -0.13 -0.12 0.00 -0.27 0.00 0.00 62.75 62.42 1wft n ILE 63 Cb 0.46 0.77 -0.11 0.00 -1.74 0.00 0.00 39.64 39.01 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 -3.02 -0.46 -0.29 4.28 6.14 -1.26 -5.03 117.35 117.70 1wft s TYR 64 Ca 0.04 1.04 0.00 0.00 0.64 0.00 0.00 57.07 58.80 1wft s TYR 64 Cb 0.15 0.17 0.09 0.00 0.42 0.00 0.00 41.96 42.78 1wft s TYR 64 CO 0.83 -0.27 0.06 0.00 0.64 0.00 0.00 175.55 176.81 1wft s GLY 66 N 1.44 -0.35 0.11 0.00 0.00 -1.17 -5.03 107.32 102.33 1wft s GLY 66 Ca 0.06 0.77 0.11 0.00 0.00 0.00 0.00 44.72 45.67 1wft s GLY 66 CO -0.17 0.20 1.13 0.17 0.00 0.00 0.00 173.10 174.43 1wft h LEU 67 N 2.00 0.00 -9.48 0.66 -0.00 -1.94 -2.91 115.31 103.65 1wft h LEU 67 Ca -0.23 0.00 -0.60 0.00 -0.00 0.00 0.00 57.88 57.04 1wft h LEU 67 Cb 1.21 0.00 0.11 0.00 -0.00 0.00 0.00 40.66 41.98 1wft h LEU 67 CO 0.27 0.84 0.11 1.17 -0.00 0.00 0.00 178.44 180.83 1wft n LYS 68 N -3.20 1.32 -0.91 0.17 3.00 -1.26 -4.43 118.16 112.84 1wft n LYS 68 Ca -0.04 0.46 -0.16 0.00 -0.00 0.00 0.00 58.31 58.57 1wft n LYS 68 Cb 0.91 -1.84 0.03 0.00 0.00 0.00 0.00 35.03 34.12 1wft n LYS 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1wft n THR 69 N 0.13 2.77 -3.60 3.15 -2.24 -1.26 -4.77 114.28 108.46 1wft n THR 69 Ca 0.10 -1.67 -0.02 0.00 -2.27 0.00 0.00 64.05 60.19 1wft n THR 69 Cb 0.33 -1.38 -0.06 0.00 -2.10 0.00 0.00 70.33 67.12 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 0.34 -0.54 0.33 3.42 1.04 -1.26 -2.21 113.70 114.81 1wft s SER 70 Ca 0.31 0.84 0.03 0.00 0.48 0.00 0.00 55.95 57.62 1wft s SER 70 Cb 0.24 1.31 -0.05 0.00 0.10 0.00 0.00 66.02 67.62 1wft s SER 70 CO -0.02 -0.13 0.08 0.00 0.98 0.00 0.00 173.24 174.15 1wft s THR 72 N -3.37 1.36 -0.21 0.00 2.01 -1.26 -1.27 115.64 112.90 1wft s THR 72 Ca 0.34 -0.70 -0.03 0.00 0.31 0.00 0.00 61.69 61.61 1wft s THR 72 Cb 0.07 -1.15 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 1wft s THR 72 CO 0.15 0.39 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.72 1wft s VAL 73 N -0.15 3.30 0.43 3.82 1.01 -0.79 -4.99 120.40 123.03 1wft s VAL 73 Ca 0.01 -0.52 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 1wft s VAL 73 Cb -0.09 -2.49 -0.08 0.00 0.00 0.00 0.00 36.38 33.72 1wft s VAL 73 CO 0.01 0.44 0.87 0.42 0.00 0.00 0.00 175.10 176.84 1wft s THR 74 N 1.34 4.59 0.18 3.92 -4.23 -1.26 -3.10 115.64 117.08 1wft s THR 74 Ca 0.04 1.08 -0.22 0.00 -1.18 0.00 0.00 61.69 61.41 1wft s THR 74 Cb -0.14 -3.67 0.09 0.00 1.34 0.00 0.00 72.50 70.11 1wft s THR 74 CO -0.03 -0.46 1.59 0.00 -0.54 0.00 0.00 174.62 175.18 1wft h ALA 75 N 1.49 -0.12 -1.12 3.99 0.00 -1.99 0.16 119.26 121.67 1wft h ALA 75 Ca -0.48 0.13 0.33 0.00 0.00 0.00 0.00 54.91 54.90 1wft h ALA 75 Cb 1.18 0.76 -0.12 0.00 0.00 0.00 0.00 17.79 19.62 1wft h ALA 75 CO 0.63 -0.71 0.71 0.78 0.00 0.00 0.00 179.25 180.65 1wft h GLY 76 N -0.21 1.42 0.62 0.00 0.00 -2.00 0.95 103.07 103.85 1wft h GLY 76 Ca 0.20 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 1wft h GLY 76 CO -0.62 -0.29 -0.18 1.46 0.00 0.00 0.00 176.54 176.91 1wft h GLN 77 N 0.29 0.25 -0.78 4.80 1.08 -1.08 -3.24 115.11 116.42 1wft h GLN 77 Ca 0.69 -0.17 0.14 0.00 -1.45 0.00 0.00 58.65 57.86 1wft h GLN 77 Cb 1.86 0.03 -0.09 0.00 -0.05 0.00 0.00 27.48 29.23 1wft h GLN 77 CO -0.40 0.78 0.36 -0.07 -0.95 0.00 0.00 178.83 178.56 1wft h LEU 78 N -0.25 0.41 -1.13 1.46 3.38 -0.07 -0.17 115.31 118.93 1wft h LEU 78 Ca -0.00 0.09 0.29 0.00 0.09 0.00 0.00 57.88 58.35 1wft h LEU 78 Cb 0.79 0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.45 1wft h LEU 78 CO 0.04 0.18 0.63 0.00 0.09 0.00 0.00 178.44 179.38 1wft h ALA 79 N 1.53 2.04 0.00 1.53 0.00 -1.34 1.03 119.26 124.05 1wft h ALA 79 Ca 0.42 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.37 1wft h ALA 79 Cb 0.59 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1wft h ALA 79 CO -0.36 -0.56 -0.41 -0.91 0.00 0.00 0.00 179.25 177.00 1wft h ASN 80 N 0.41 0.00 -3.96 0.00 2.35 -1.14 -3.45 115.58 109.80 1wft h ASN 80 Ca 0.68 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.90 1wft h ASN 80 Cb 1.56 0.00 0.08 0.00 0.05 0.00 0.00 38.32 40.02 1wft h ASN 80 CO -0.46 0.41 0.60 0.00 -1.65 0.00 0.00 177.43 176.34 1wft s ALA 81 N -3.53 3.22 0.10 -0.83 0.00 0.35 -3.24 121.76 117.83 1wft s ALA 81 Ca 0.00 1.22 -0.08 0.00 0.00 0.00 0.00 51.96 53.10 1wft s ALA 81 Cb 0.11 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.69 1wft s ALA 81 CO 0.70 -0.84 0.39 -3.38 0.00 0.00 0.00 175.76 172.63 1wft s HIS 82 N -1.28 3.55 -0.23 0.00 -3.43 -1.01 -4.91 115.29 107.97 1wft s HIS 82 Ca 0.58 0.71 -0.03 0.00 -0.80 0.00 0.00 55.06 55.52 1wft s HIS 82 Cb -0.38 -2.11 0.01 0.00 -1.43 0.00 0.00 32.58 28.67 1wft s HIS 82 CO 0.48 0.49 -0.05 0.42 -2.00 0.00 0.00 174.74 174.08 1wft s ILE 83 N -1.48 3.13 -0.26 -5.38 1.01 -1.26 -4.30 121.20 112.66 1wft s ILE 83 Ca 0.35 -0.75 -0.29 0.00 0.00 0.00 0.00 60.65 59.97 1wft s ILE 83 Cb -0.13 -2.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 1wft s ILE 83 CO 0.20 0.32 1.46 -0.62 0.00 0.00 0.00 174.94 176.29 1wft s ASP 84 N 1.41 6.53 -0.52 3.58 -1.08 -1.23 -4.89 116.67 120.47 1wft s ASP 84 Ca 0.03 1.41 0.02 0.00 -0.52 0.00 0.00 52.55 53.49 1wft s ASP 84 Cb -0.15 -2.54 0.48 0.00 -1.46 0.00 0.00 42.92 39.25 1wft s ASP 84 CO -0.04 -1.17 1.76 -1.22 0.52 0.00 0.00 175.17 175.02 1wft n TYR 85 N 8.04 2.90 -0.08 -5.34 4.01 -1.26 -3.27 117.16 122.16 1wft n TYR 85 Ca 0.17 -2.58 -0.08 0.00 -0.16 0.00 0.00 57.90 55.25 1wft n TYR 85 Cb 0.46 -1.03 -0.03 0.00 -0.31 0.00 0.00 39.34 38.42 1wft n TYR 85 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1wft n THR 86 N -0.91 1.44 0.00 -0.72 -1.04 -1.26 -4.89 114.28 106.89 1wft n THR 86 Ca 0.55 0.18 0.00 0.00 -2.04 0.00 0.00 64.05 62.74 1wft n THR 86 Cb 0.87 -2.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.05 1wft n THR 86 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1wft n SER 87 N -4.58 0.74 -3.73 8.00 2.88 -1.26 -5.05 113.62 110.61 1wft n SER 87 Ca -0.12 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.24 1wft n SER 87 Cb 0.34 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.63 1wft n SER 87 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1wft s ARG 88 N -1.99 0.06 -1.08 -1.46 3.52 -1.26 -5.08 118.95 111.66 1wft s ARG 88 Ca 0.00 0.26 -0.23 0.00 -0.13 0.00 0.00 55.73 55.62 1wft s ARG 88 Cb 0.00 -0.49 -0.07 0.00 -1.56 0.00 0.00 34.95 32.83 1wft s ARG 88 CO 0.00 -0.26 1.94 -1.25 -0.81 0.00 0.00 175.30 174.92 1wft s PRO 89 N 1.70 2.51 0.25 5.12 0.04 -1.20 -4.67 135.00 138.75 1wft s PRO 89 Ca -0.01 -0.84 0.05 0.00 0.04 0.00 0.00 61.00 60.25 1wft s PRO 89 Cb -0.13 -5.18 -0.05 0.00 0.04 0.00 0.00 34.50 29.18 1wft s PRO 89 CO -0.03 -3.77 -0.04 0.00 0.04 0.00 0.00 177.00 173.20 1wft s ALA 90 N 10.70 2.08 -0.07 8.56 0.00 -1.25 -2.43 121.76 139.35 1wft s ALA 90 Ca 0.69 -1.82 -0.20 0.00 0.00 0.00 0.00 51.96 50.63 1wft s ALA 90 Cb -0.03 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 1wft s ALA 90 CO 0.08 -0.13 0.56 0.42 0.00 0.00 0.00 175.76 176.68 1wft s ILE 91 N -3.18 5.08 -0.52 0.00 1.01 -0.34 -3.47 121.20 119.78 1wft s ILE 91 Ca 0.28 1.14 -0.21 0.00 0.00 0.00 0.00 60.65 61.86 1wft s ILE 91 Cb 0.04 -3.90 0.05 0.00 0.01 0.00 0.00 42.46 38.66 1wft s ILE 91 CO 0.10 0.34 0.76 -0.69 0.00 0.00 0.00 174.94 175.45 1wft s VAL 92 N 0.39 4.67 0.25 2.92 1.01 -1.26 -2.61 120.40 125.76 1wft s VAL 92 Ca 0.30 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.24 1wft s VAL 92 Cb -0.17 -4.39 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 1wft s VAL 92 CO 0.14 -0.91 0.34 -0.36 0.00 0.00 0.00 175.10 174.31 1wft s PHE 93 N 3.20 3.36 -0.03 5.22 0.08 -1.07 -3.92 117.98 124.82 1wft s PHE 93 Ca 0.22 -0.05 -0.01 0.00 0.12 0.00 0.00 56.93 57.21 1wft s PHE 93 Cb -0.16 -1.57 0.03 0.00 -0.57 0.00 0.00 43.02 40.75 1wft s PHE 93 CO 0.16 0.42 0.05 1.03 -0.10 0.00 0.00 175.22 176.77 1wft s ARG 94 N -3.97 -0.06 0.00 0.44 1.81 -0.84 -3.16 118.95 113.18 1wft s ARG 94 Ca 0.35 0.28 0.02 0.00 -1.72 0.00 0.00 55.73 54.65 1wft s ARG 94 Cb -0.09 -0.36 -0.01 0.00 -0.45 0.00 0.00 34.95 34.04 1wft s ARG 94 CO 0.28 -0.24 -0.06 0.42 -0.68 0.00 0.00 175.30 175.03 1wft s ILE 95 N 1.57 0.44 0.28 1.52 1.01 -1.17 0.22 121.20 125.07 1wft s ILE 95 Ca -0.03 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.29 1wft s ILE 95 Cb -0.13 -0.40 -0.01 0.00 0.01 0.00 0.00 42.46 41.94 1wft s ILE 95 CO -0.03 0.03 0.30 -0.24 0.00 0.00 0.00 174.94 175.00 1wft n SER 96 N 2.69 -0.78 -4.03 3.58 2.88 -1.21 -1.44 113.62 115.31 1wft n SER 96 Ca -0.15 -2.74 -0.20 0.00 -1.33 0.00 0.00 58.87 54.45 1wft n SER 96 Cb 0.58 1.65 -0.15 0.00 -0.75 0.00 0.00 64.21 65.54 1wft n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wft s ALA 97 N -2.94 0.84 0.21 -1.46 0.00 -1.26 -4.02 121.76 113.12 1wft s ALA 97 Ca 0.30 -0.40 -0.23 0.00 0.00 0.00 0.00 51.96 51.64 1wft s ALA 97 Cb 0.01 -0.24 -0.08 0.00 0.00 0.00 0.00 23.12 22.80 1wft s ALA 97 CO 0.21 0.18 0.77 0.21 0.00 0.00 0.00 175.76 177.14 1wft s LYS 98 N -0.10 4.43 -0.01 0.00 2.20 -1.14 -1.67 119.74 123.46 1wft s LYS 98 Ca 0.02 1.05 -0.06 0.00 -0.36 0.00 0.00 55.97 56.62 1wft s LYS 98 Cb -0.05 -3.04 -0.02 0.00 -1.51 0.00 0.00 37.83 33.20 1wft s LYS 98 CO -0.00 0.46 -0.12 -1.71 -0.36 0.00 0.00 175.35 173.62 1wft n ASN 99 N 1.10 1.24 0.04 1.43 2.85 -0.59 -3.60 115.26 117.73 1wft n ASN 99 Ca -0.03 0.18 0.00 0.00 -0.11 0.00 0.00 54.58 54.62 1wft n ASN 99 Cb 0.50 -0.46 0.00 0.00 1.24 0.00 0.00 39.78 41.06 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 -3.69 0.00 0.00 1.20 1.02 -1.26 -4.63 120.64 113.28 1wft n GLU 100 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1wft n GLU 100 Cb 0.18 -0.21 0.00 0.00 -0.02 0.00 0.00 31.44 31.38 1wft n GLU 100 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1wft n LYS 101 N -3.02 2.00 -1.96 3.49 4.76 -1.26 -5.09 118.16 117.08 1wft n LYS 101 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1wft n LYS 101 Cb 0.00 -0.90 0.00 0.00 -1.84 0.00 0.00 35.03 32.29 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 2.20 4.19 3.61 0.72 0.00 -1.26 -5.11 105.19 109.53 1wft n GLY 102 Ca 0.00 -1.98 -0.24 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.38 2.58 0.00 1.61 1.51 -1.26 -1.55 117.35 118.86 1wft s TYR 103 Ca 0.00 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 55.76 1wft s TYR 103 Cb 0.00 -1.24 0.00 0.00 -0.11 0.00 0.00 41.96 40.61 1wft s TYR 103 CO 0.00 0.59 0.00 0.41 -1.11 0.00 0.00 175.55 175.44 1wft n GLY 104 N -0.87 1.20 3.77 0.71 0.00 -0.67 -4.93 105.19 104.40 1wft n GLY 104 Ca -0.05 -1.49 -0.40 0.00 0.00 0.00 0.00 46.02 44.07 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 1.48 4.43 -0.24 1.61 0.04 -1.26 -4.80 135.00 136.26 1wft s PRO 105 Ca 0.00 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.97 1wft s PRO 105 Cb 0.00 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.41 1wft s PRO 105 CO 0.00 -0.06 0.17 0.00 0.04 0.00 0.00 177.00 177.16 1wft s ALA 106 N -1.17 3.61 0.18 8.56 0.00 -1.26 -4.54 121.76 127.14 1wft s ALA 106 Ca 0.48 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 51.28 1wft s ALA 106 Cb -0.36 -2.34 -0.08 0.00 0.00 0.00 0.00 23.12 20.34 1wft s ALA 106 CO 0.48 -0.19 0.97 0.99 0.00 0.00 0.00 175.76 178.01 1wft s THR 107 N 1.05 4.20 -0.25 0.00 2.01 -0.52 -4.82 115.64 117.32 1wft s THR 107 Ca 0.08 2.01 -0.05 0.00 0.31 0.00 0.00 61.69 64.04 1wft s THR 107 Cb -0.13 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.08 1wft s THR 107 CO 0.05 0.40 0.01 -1.58 -0.69 0.00 0.00 174.62 172.81 1wft s GLN 108 N -0.63 3.36 0.19 4.92 0.74 -1.26 -3.06 119.66 123.93 1wft s GLN 108 Ca 0.44 -0.65 0.11 0.00 0.05 0.00 0.00 55.36 55.31 1wft s GLN 108 Cb -0.25 -3.18 -0.04 0.00 1.10 0.00 0.00 33.01 30.64 1wft s GLN 108 CO 0.32 -0.26 -0.19 -1.50 -0.55 0.00 0.00 175.29 173.10 1wft s ILE 109 N 1.51 2.62 -0.35 -2.34 2.07 -1.19 -4.98 121.20 118.55 1wft s ILE 109 Ca 0.05 -1.92 0.03 0.00 -1.41 0.00 0.00 60.65 57.40 1wft s ILE 109 Cb -0.15 -2.27 0.10 0.00 0.13 0.00 0.00 42.46 40.27 1wft s ILE 109 CO -0.00 -0.12 0.08 -0.13 -1.91 0.00 0.00 174.94 172.86 1wft s ARG 110 N -2.73 1.39 -0.31 3.50 0.52 -1.26 -2.60 118.95 117.45 1wft s ARG 110 Ca 0.22 -1.81 -0.19 0.00 -0.52 0.00 0.00 55.73 53.43 1wft s ARG 110 Cb -0.08 -2.99 -0.01 0.00 0.52 0.00 0.00 34.95 32.39 1wft s ARG 110 CO 0.12 -0.97 0.58 -0.46 0.02 0.00 0.00 175.30 174.58 1wft s TRP 111 N 0.91 3.21 -0.61 -0.53 -0.00 -1.07 -4.80 118.94 116.04 1wft s TRP 111 Ca 0.11 0.47 -0.28 0.00 -0.00 0.00 0.00 56.10 56.40 1wft s TRP 111 Cb -0.19 -2.93 -0.11 0.00 -0.00 0.00 0.00 33.47 30.23 1wft s TRP 111 CO -0.10 -0.47 2.47 1.28 -0.00 0.00 0.00 176.95 180.13 1wft n LEU 112 N 5.80 1.79 -0.21 5.86 7.99 -1.26 -1.20 117.00 135.76 1wft n LEU 112 Ca -0.03 -0.22 -0.08 0.00 -0.01 0.00 0.00 56.01 55.68 1wft n LEU 112 Cb 0.49 -1.38 0.03 0.00 -0.11 0.00 0.00 43.42 42.45 1wft n LEU 112 CO 0.45 -1.24 0.93 -0.61 -1.51 0.00 0.00 177.39 175.41 1wft h GLN 113 N 16.77 0.94 0.00 3.23 5.75 -1.81 -3.47 115.11 136.52 1wft h GLN 113 Ca -0.20 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.09 1wft h GLN 113 Cb 1.28 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.70 1wft h GLN 113 CO 1.20 0.85 0.00 0.41 -2.65 0.00 0.00 178.83 178.64 1wft n GLY 114 N -0.68 2.58 3.27 2.39 0.00 -1.25 -4.73 105.19 106.77 1wft n GLY 114 Ca 0.03 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.00 2.21 -0.28 1.61 3.84 -1.26 -5.13 114.94 111.92 1wft s ASN 115 Ca 0.00 -0.82 -0.01 0.00 0.21 0.00 0.00 52.86 52.24 1wft s ASN 115 Cb 0.00 -0.10 0.05 0.00 -0.55 0.00 0.00 41.25 40.65 1wft s ASN 115 CO 0.00 -0.10 -0.03 -0.94 -2.79 0.00 0.00 177.10 173.24 1wft s SER 116 N -2.48 4.72 0.00 -4.21 1.04 -1.26 -5.00 113.70 106.51 1wft s SER 116 Ca 0.10 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.31 1wft s SER 116 Cb -0.05 -1.68 0.00 0.00 0.10 0.00 0.00 66.02 64.39 1wft s SER 116 CO 0.04 -0.23 0.00 1.17 0.98 0.00 0.00 173.24 175.20 1wft n LYS 117 N 4.60 0.00 -3.54 4.02 0.00 -1.26 -4.94 118.16 117.04 1wft n LYS 117 Ca -0.14 0.26 -0.38 0.00 0.00 0.00 0.00 58.31 58.06 1wft n LYS 117 Cb 0.44 -0.75 -0.06 0.00 0.00 0.00 0.00 35.03 34.66 1wft n LYS 117 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1wft s SER 118 N -3.20 6.76 0.00 3.14 0.15 -1.26 -5.03 113.70 114.25 1wft s SER 118 Ca 0.00 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.56 1wft s SER 118 Cb 0.00 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1wft s SER 118 CO 0.00 0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.37 1wft n GLY 119 N 1.76 3.07 3.77 9.45 0.00 -1.26 -5.10 105.19 116.88 1wft n GLY 119 Ca -0.14 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 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 2.35 3.77 -0.22 1.61 0.04 -1.26 -4.92 135.00 136.37 1wft s PRO 120 Ca 0.00 1.78 -0.02 0.00 0.04 0.00 0.00 61.00 62.80 1wft s PRO 120 Cb 0.00 -2.42 0.01 0.00 0.04 0.00 0.00 34.50 32.13 1wft s PRO 120 CO 0.00 -0.54 -0.08 -1.54 0.04 0.00 0.00 177.00 174.88 1wft s SER 121 N -1.34 4.06 0.90 6.66 1.04 -1.26 -5.10 113.70 118.65 1wft s SER 121 Ca 0.63 -0.63 -0.14 0.00 0.48 0.00 0.00 55.95 56.30 1wft s SER 121 Cb -0.29 -1.66 -0.00 0.00 0.10 0.00 0.00 66.02 64.17 1wft s SER 121 CO 0.35 -0.06 0.31 -1.54 0.98 0.00 0.00 173.24 173.28 1wft n SER 122 N 4.71 -2.29 0.00 7.02 3.41 -1.26 -5.26 113.62 119.96 1wft n SER 122 Ca -0.18 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1wft n SER 122 Cb 0.49 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 1wft n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49