#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfe n SER 2 N 0.00 1.45 -0.12 1.61 7.64 -1.26 -4.73 113.62 118.21 1wfe n SER 2 Ca 0.00 -0.23 -0.23 0.00 1.01 0.00 0.00 58.87 59.42 1wfe n SER 2 Cb 0.00 -1.31 -0.11 0.00 -1.01 0.00 0.00 64.21 61.78 1wfe n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfe n SER 3 N 13.68 1.98 0.00 6.43 2.88 -1.26 -5.07 113.62 132.26 1wfe n SER 3 Ca 0.49 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 1wfe n SER 3 Cb 0.33 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 1wfe n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfe n GLY 4 N 1.81 5.03 2.43 0.46 0.00 -1.26 -5.03 105.19 108.63 1wfe n GLY 4 Ca -0.47 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 1wfe n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfe n SER 5 N 0.00 7.30 -4.51 1.61 7.64 -1.26 -4.96 113.62 119.43 1wfe n SER 5 Ca 0.00 -3.79 -0.27 0.00 1.01 0.00 0.00 58.87 55.81 1wfe n SER 5 Cb 0.00 -0.92 -0.09 0.00 -1.01 0.00 0.00 64.21 62.19 1wfe n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wfe s SER 6 N -1.90 3.36 0.00 6.43 0.01 -1.26 -5.12 113.70 115.21 1wfe s SER 6 Ca 0.60 -1.52 0.00 0.00 1.31 0.00 0.00 55.95 56.34 1wfe s SER 6 Cb 0.48 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.86 1wfe s SER 6 CO -0.10 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.45 1wfe n GLY 7 N -0.98 -1.61 3.23 3.44 0.00 -1.26 -4.88 105.19 103.13 1wfe n GLY 7 Ca -0.09 0.91 -0.14 0.00 0.00 0.00 0.00 46.02 46.71 1wfe n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfe s SER 9 N -3.12 3.97 0.97 0.00 0.15 -1.26 -5.13 113.70 109.29 1wfe s SER 9 Ca 0.15 -0.99 -0.11 0.00 0.70 0.00 0.00 55.95 55.71 1wfe s SER 9 Cb 0.03 -0.48 0.18 0.00 -1.71 0.00 0.00 66.02 64.04 1wfe s SER 9 CO -0.00 -0.11 1.11 -1.83 1.20 0.00 0.00 173.24 173.61 1wfe s GLU 10 N -3.63 0.59 -0.01 5.44 1.03 -1.26 -5.05 118.70 115.81 1wfe s GLU 10 Ca 0.32 1.34 0.02 0.00 0.03 0.00 0.00 54.97 56.69 1wfe s GLU 10 Cb -0.02 -1.69 0.00 0.00 -0.80 0.00 0.00 34.13 31.62 1wfe s GLU 10 CO 0.18 -2.86 -0.06 0.08 -1.33 0.00 0.00 175.26 171.27 1wfe s VAL 11 N -2.62 0.51 0.37 1.83 1.01 -1.26 -5.14 120.40 115.10 1wfe s VAL 11 Ca 0.67 -0.24 -0.24 0.00 0.00 0.00 0.00 61.98 62.17 1wfe s VAL 11 Cb -0.23 -0.45 -0.10 0.00 0.00 0.00 0.00 36.38 35.60 1wfe s VAL 11 CO 0.59 0.16 0.97 0.21 0.00 0.00 0.00 175.10 177.03 1wfe s ASN 12 N 0.07 7.09 -0.02 3.32 2.47 -1.26 -5.07 114.94 121.54 1wfe s ASN 12 Ca -0.00 1.83 -0.02 0.00 0.42 0.00 0.00 52.86 55.08 1wfe s ASN 12 Cb -0.05 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 1wfe s ASN 12 CO -0.00 -0.25 0.06 -0.69 -3.72 0.00 0.00 177.10 172.49 1wfe s VAL 13 N -1.81 0.02 0.46 -5.21 1.01 -1.26 -5.17 120.40 108.45 1wfe s VAL 13 Ca 0.56 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.39 1wfe s VAL 13 Cb -0.16 -0.15 0.09 0.00 0.00 0.00 0.00 36.38 36.16 1wfe s VAL 13 CO 0.21 -0.10 0.64 1.33 0.00 0.00 0.00 175.10 177.18 1wfe n VAL 14 N 2.73 0.00 -4.03 2.92 0.24 -1.26 -5.11 118.33 113.82 1wfe n VAL 14 Ca -0.15 -1.20 -0.34 0.00 -2.04 0.00 0.00 64.34 60.61 1wfe n VAL 14 Cb 0.59 -0.88 -0.06 0.00 -1.47 0.00 0.00 33.84 32.01 1wfe n VAL 14 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1wfe s LYS 15 N -4.09 3.24 -0.30 7.34 0.00 -1.26 -5.02 119.74 119.65 1wfe s LYS 15 Ca 0.45 -0.35 0.16 0.00 0.00 0.00 0.00 55.97 56.23 1wfe s LYS 15 Cb -0.03 -2.99 0.48 0.00 0.00 0.00 0.00 37.83 35.29 1wfe s LYS 15 CO 0.29 0.69 1.09 -1.91 0.00 0.00 0.00 175.35 175.51 1wfe n GLU 16 N 1.40 2.19 -1.51 1.78 4.07 -1.26 -5.10 120.64 122.21 1wfe n GLU 16 Ca -0.15 -3.71 -0.48 0.00 -0.06 0.00 0.00 57.16 52.77 1wfe n GLU 16 Cb 0.53 -1.74 -0.03 0.00 -0.06 0.00 0.00 31.44 30.14 1wfe n GLU 16 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 1wfe n ARG 17 N -0.48 0.68 -2.19 5.31 0.00 -1.26 -4.85 116.66 113.86 1wfe n ARG 17 Ca 0.19 0.24 -0.42 0.00 -0.00 0.00 0.00 57.85 57.86 1wfe n ARG 17 Cb 0.82 -1.51 -0.03 0.00 -0.00 0.00 0.00 32.46 31.75 1wfe n ARG 17 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1wfe s PRO 18 N -0.94 4.31 0.26 2.89 0.04 -1.26 -5.01 135.00 135.29 1wfe s PRO 18 Ca 0.67 2.03 -0.16 0.00 0.04 0.00 0.00 61.00 63.57 1wfe s PRO 18 Cb -0.87 -3.39 -0.08 0.00 0.04 0.00 0.00 34.50 30.20 1wfe s PRO 18 CO 0.56 -0.49 0.70 0.21 0.04 0.00 0.00 177.00 178.03 1wfe s LYS 19 N 1.63 4.08 -0.29 4.56 2.47 -1.26 -5.06 119.74 125.86 1wfe s LYS 19 Ca 0.64 0.70 0.02 0.00 -1.56 0.00 0.00 55.97 55.77 1wfe s LYS 19 Cb -0.35 -2.67 0.08 0.00 -1.46 0.00 0.00 37.83 33.44 1wfe s LYS 19 CO 0.29 0.29 0.01 0.95 0.16 0.00 0.00 175.35 177.05 1wfe s THR 20 N -1.74 1.69 -0.62 3.43 -4.23 -1.26 -5.07 115.64 107.84 1wfe s THR 20 Ca 0.48 -1.67 -0.11 0.00 -1.18 0.00 0.00 61.69 59.21 1wfe s THR 20 Cb -0.13 -2.10 0.16 0.00 1.34 0.00 0.00 72.50 71.76 1wfe s THR 20 CO 0.19 -0.39 0.52 -1.81 -0.54 0.00 0.00 174.62 172.60 1wfe s ASP 21 N 1.26 6.06 -0.10 3.99 1.01 -1.26 -4.87 116.67 122.76 1wfe s ASP 21 Ca 0.03 -2.26 -0.13 0.00 0.71 0.00 0.00 52.55 50.90 1wfe s ASP 21 Cb -0.19 -2.09 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 1wfe s ASP 21 CO -0.11 -0.65 -0.25 -0.62 0.21 0.00 0.00 175.17 173.76 1wfe n GLU 22 N 4.49 0.37 -3.12 8.23 1.02 -1.26 -4.92 120.64 125.46 1wfe n GLU 22 Ca -0.00 0.15 -0.43 0.00 -0.02 0.00 0.00 57.16 56.85 1wfe n GLU 22 Cb 0.42 -1.15 -0.07 0.00 -0.02 0.00 0.00 31.44 30.62 1wfe n GLU 22 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1wfe s HIS 23 N -2.63 3.05 0.66 -0.32 3.76 -1.26 -5.04 115.29 113.50 1wfe s HIS 23 Ca -0.20 -0.21 -0.17 0.00 -0.15 0.00 0.00 55.06 54.33 1wfe s HIS 23 Cb 0.03 -3.43 0.00 0.00 1.11 0.00 0.00 32.58 30.29 1wfe s HIS 23 CO 0.30 -0.94 1.21 0.21 -0.85 0.00 0.00 174.74 174.67 1wfe s LYS 24 N 2.81 2.54 -0.06 1.40 2.20 -1.26 -5.01 119.74 122.36 1wfe s LYS 24 Ca 0.20 1.80 -0.05 0.00 -0.36 0.00 0.00 55.97 57.56 1wfe s LYS 24 Cb -0.16 -1.88 0.02 0.00 -1.51 0.00 0.00 37.83 34.31 1wfe s LYS 24 CO 0.17 -1.53 0.16 -1.54 -0.36 0.00 0.00 175.35 172.24 1wfe s SER 25 N -1.82 -0.17 -0.12 1.43 1.04 -1.26 -3.96 113.70 108.84 1wfe s SER 25 Ca 0.76 0.33 -0.03 0.00 0.48 0.00 0.00 55.95 57.49 1wfe s SER 25 Cb -0.30 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.10 1wfe s SER 25 CO 0.40 -0.07 -0.01 -0.31 0.98 0.00 0.00 173.24 174.22 1wfe s TYR 26 N 0.26 3.10 0.09 5.02 1.51 -0.85 -4.86 117.35 121.61 1wfe s TYR 26 Ca -0.01 -0.02 -0.30 0.00 -1.01 0.00 0.00 57.07 55.73 1wfe s TYR 26 Cb -0.03 -1.87 -0.05 0.00 -0.11 0.00 0.00 41.96 39.90 1wfe s TYR 26 CO -0.01 0.23 1.01 -1.54 -1.11 0.00 0.00 175.55 174.13 1wfe s SER 27 N -0.28 7.39 0.38 2.29 1.04 -1.26 -3.15 113.70 120.12 1wfe s SER 27 Ca 0.06 1.82 -0.28 0.00 0.48 0.00 0.00 55.95 58.03 1wfe s SER 27 Cb -0.12 -2.58 -0.11 0.00 0.10 0.00 0.00 66.02 63.31 1wfe s SER 27 CO 0.02 -0.17 1.46 0.00 0.98 0.00 0.00 173.24 175.53 1wfe n SER 29 N 0.40 5.12 -4.78 0.00 7.64 0.91 -4.92 113.62 118.00 1wfe n SER 29 Ca 0.01 -3.68 -0.30 0.00 1.01 0.00 0.00 58.87 55.92 1wfe n SER 29 Cb 0.40 -0.88 -0.06 0.00 -1.01 0.00 0.00 64.21 62.65 1wfe n SER 29 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1wfe s PHE 30 N -3.49 3.18 -1.03 1.43 5.36 -1.26 -4.96 117.98 117.22 1wfe s PHE 30 Ca 0.60 0.07 -0.23 0.00 -0.96 0.00 0.00 56.93 56.41 1wfe s PHE 30 Cb 0.49 -1.61 0.05 0.00 -0.34 0.00 0.00 43.02 41.61 1wfe s PHE 30 CO 0.07 0.52 1.47 0.21 -1.46 0.00 0.00 175.22 176.03 1wfe s LYS 31 N -2.44 3.59 0.00 10.12 2.20 -1.26 -3.44 119.74 128.51 1wfe s LYS 31 Ca 0.29 -1.15 0.00 0.00 -0.36 0.00 0.00 55.97 54.75 1wfe s LYS 31 Cb -0.12 -5.36 0.00 0.00 -1.51 0.00 0.00 37.83 30.84 1wfe s LYS 31 CO 0.22 -2.23 0.00 0.41 -0.36 0.00 0.00 175.35 173.39 1wfe n GLY 32 N 6.82 1.30 3.13 5.54 0.00 -1.26 -5.12 105.19 115.60 1wfe n GLY 32 Ca 0.34 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.23 1wfe n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfe n THR 34 N 3.55 1.39 -4.02 0.00 -2.24 -1.26 -4.70 114.28 107.00 1wfe n THR 34 Ca -0.19 -2.59 -0.27 0.00 -2.27 0.00 0.00 64.05 58.73 1wfe n THR 34 Cb 0.56 0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.98 1wfe n THR 34 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1wfe s ASP 35 N -2.95 5.83 0.32 3.42 1.01 -1.26 -4.95 116.67 118.08 1wfe s ASP 35 Ca 0.37 0.01 0.04 0.00 0.71 0.00 0.00 52.55 53.68 1wfe s ASP 35 Cb 0.38 -1.63 -0.06 0.00 1.01 0.00 0.00 42.92 42.62 1wfe s ASP 35 CO -0.08 0.09 0.06 0.68 0.21 0.00 0.00 175.17 176.13 1wfe s VAL 36 N -1.66 1.13 0.04 -1.27 -7.23 -1.26 -2.48 120.40 107.68 1wfe s VAL 36 Ca 0.32 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.41 1wfe s VAL 36 Cb -0.11 -2.78 -0.00 0.00 0.56 0.00 0.00 36.38 34.05 1wfe s VAL 36 CO 0.25 -0.00 0.15 -1.61 -0.31 0.00 0.00 175.10 173.58 1wfe s GLU 37 N -3.90 0.66 0.30 4.82 0.41 -1.19 -4.88 118.70 114.91 1wfe s GLU 37 Ca 0.37 -0.70 0.02 0.00 -0.41 0.00 0.00 54.97 54.25 1wfe s GLU 37 Cb 0.09 0.27 0.58 0.00 -1.78 0.00 0.00 34.13 33.28 1wfe s GLU 37 CO 0.15 -0.18 1.86 -0.07 -0.49 0.00 0.00 175.26 176.53 1wfe h LEU 38 N 3.51 0.89-10.35 1.80 3.38 -1.94 -2.27 115.31 110.34 1wfe h LEU 38 Ca -0.32 0.04 -0.46 0.00 0.09 0.00 0.00 57.88 57.22 1wfe h LEU 38 Cb 1.19 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1wfe h LEU 38 CO 0.49 0.50 -0.29 0.68 0.09 0.00 0.00 178.44 179.91 1wfe s VAL 39 N -5.91 2.74 -0.27 1.22 -7.23 -1.26 -4.57 120.40 105.12 1wfe s VAL 39 Ca -0.12 -1.16 -0.01 0.00 -1.81 0.00 0.00 61.98 58.89 1wfe s VAL 39 Cb 0.22 -2.89 0.04 0.00 0.56 0.00 0.00 36.38 34.30 1wfe s VAL 39 CO 0.80 0.00 -0.04 0.00 -0.31 0.00 0.00 175.10 175.55 1wfe s ALA 40 N -2.44 2.73 -0.91 1.32 0.00 -1.26 -4.53 121.76 116.67 1wfe s ALA 40 Ca 0.52 -1.62 -0.19 0.00 0.00 0.00 0.00 51.96 50.67 1wfe s ALA 40 Cb -0.07 -1.79 0.13 0.00 0.00 0.00 0.00 23.12 21.39 1wfe s ALA 40 CO 0.31 -1.05 1.11 0.08 0.00 0.00 0.00 175.76 176.21 1wfe s VAL 41 N 1.27 4.70 0.19 0.00 1.01 -1.23 -4.95 120.40 121.40 1wfe s VAL 41 Ca -0.03 -1.49 -0.28 0.00 0.00 0.00 0.00 61.98 60.18 1wfe s VAL 41 Cb -0.18 -4.77 -0.08 0.00 0.00 0.00 0.00 36.38 31.34 1wfe s VAL 41 CO -0.03 -1.50 0.86 -0.63 0.00 0.00 0.00 175.10 173.80 1wfe s ILE 42 N 2.77 4.24 -0.19 2.22 -1.09 -1.26 -0.85 121.20 127.06 1wfe s ILE 42 Ca 0.32 1.89 -0.18 0.00 -2.23 0.00 0.00 60.65 60.45 1wfe s ILE 42 Cb -0.06 -4.23 -0.03 0.00 -1.58 0.00 0.00 42.46 36.55 1wfe s ILE 42 CO -0.08 0.50 0.49 0.00 -1.23 0.00 0.00 174.94 174.62 1wfe n PRO 44 N 4.56 0.49 -0.01 0.00 -0.04 -1.26 0.69 135.00 139.43 1wfe n PRO 44 Ca -0.06 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.37 1wfe n PRO 44 Cb 0.51 -1.18 -0.01 0.00 -0.04 0.00 0.00 33.50 32.78 1wfe n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wfe n TYR 45 N -0.68 0.00 1.16 0.54 4.02 -1.26 -4.74 117.16 116.19 1wfe n TYR 45 Ca 0.04 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.06 1wfe n TYR 45 Cb 0.02 -0.17 0.25 0.00 -0.02 0.00 0.00 39.34 39.41 1wfe n TYR 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wfe n GLU 47 N -0.47 -5.58 -4.35 0.00 1.02 0.22 -4.96 120.64 106.52 1wfe n GLU 47 Ca 0.11 0.65 -0.24 0.00 -0.02 0.00 0.00 57.16 57.67 1wfe n GLU 47 Cb 0.39 -5.41 -0.12 0.00 -0.02 0.00 0.00 31.44 26.28 1wfe n GLU 47 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1wfe s LYS 48 N -6.18 1.30 -0.13 3.49 1.02 -1.24 -4.78 119.74 113.23 1wfe s LYS 48 Ca 0.29 -1.38 -0.16 0.00 0.02 0.00 0.00 55.97 54.74 1wfe s LYS 48 Cb -0.14 -1.49 -0.05 0.00 -0.52 0.00 0.00 37.83 35.64 1wfe s LYS 48 CO 0.80 0.32 0.39 0.54 -0.92 0.00 0.00 175.35 176.48 1wfe s ASN 49 N -2.46 6.59 0.35 2.83 4.22 -1.26 -0.10 114.94 125.10 1wfe s ASN 49 Ca 0.15 0.69 0.03 0.00 -2.14 0.00 0.00 52.86 51.59 1wfe s ASN 49 Cb -0.07 -2.24 -0.04 0.00 1.28 0.00 0.00 41.25 40.18 1wfe s ASN 49 CO 0.07 0.07 0.13 -0.36 -2.04 0.00 0.00 177.10 174.97 1wfe s PHE 50 N 0.39 1.73 0.16 1.54 0.40 -0.03 -0.06 117.98 122.11 1wfe s PHE 50 Ca 0.22 -1.27 -0.13 0.00 -0.60 0.00 0.00 56.93 55.15 1wfe s PHE 50 Cb -0.14 -1.04 -0.07 0.00 0.51 0.00 0.00 43.02 42.28 1wfe s PHE 50 CO 0.08 -0.35 0.53 0.00 0.70 0.00 0.00 175.22 176.17 1wfe n LEU 52 N 0.60 0.27 -0.15 0.00 7.99 -1.26 0.24 117.00 124.69 1wfe n LEU 52 Ca -0.04 1.33 -0.09 0.00 -0.01 0.00 0.00 56.01 57.20 1wfe n LEU 52 Cb 0.52 -0.65 0.00 0.00 -0.11 0.00 0.00 43.42 43.18 1wfe n LEU 52 CO 0.43 -1.48 0.93 -0.09 -1.51 0.00 0.00 177.39 175.67 1wfe h ARG 53 N 0.00 0.66 -0.75 3.23 9.65 -2.01 -2.95 114.38 122.21 1wfe h ARG 53 Ca 0.69 -0.12 -0.46 0.00 -1.10 0.00 0.00 59.98 58.99 1wfe h ARG 53 Cb 1.85 -0.11 -0.26 0.00 -1.39 0.00 0.00 29.97 30.07 1wfe h ARG 53 CO -0.61 0.61 0.25 0.72 2.80 0.00 0.00 179.97 183.75 1wfe n HIS 54 N -4.60 2.44 -0.00 2.20 8.25 0.65 -4.60 115.22 119.55 1wfe n HIS 54 Ca 0.01 -2.16 -0.18 0.00 -0.26 0.00 0.00 57.72 55.13 1wfe n HIS 54 Cb 0.15 -0.85 -0.09 0.00 1.12 0.00 0.00 29.99 30.32 1wfe n HIS 54 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1wfe h ARG 55 N 1.46 0.60 -6.88 -0.41 0.11 -0.22 -3.36 114.38 105.67 1wfe h ARG 55 Ca 0.46 -0.56 -0.47 0.00 0.10 0.00 0.00 59.98 59.51 1wfe h ARG 55 Cb 1.71 0.14 0.22 0.00 1.11 0.00 0.00 29.97 33.16 1wfe h ARG 55 CO 0.96 1.18 -0.56 0.72 0.10 0.00 0.00 179.97 182.36 1wfe n HIS 56 N -4.08 -1.22 -0.04 4.08 8.25 -1.26 -4.91 115.22 116.05 1wfe n HIS 56 Ca -0.09 0.07 -0.14 0.00 -0.26 0.00 0.00 57.72 57.30 1wfe n HIS 56 Cb 0.72 -1.67 -0.12 0.00 1.12 0.00 0.00 29.99 30.04 1wfe n HIS 56 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1wfe h GLN 57 N -2.21 0.06 -1.76 -0.41 4.20 -2.00 -3.27 115.11 109.72 1wfe h GLN 57 Ca -0.54 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.02 1wfe h GLN 57 Cb 1.33 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 29.09 1wfe h GLN 57 CO 0.42 0.83 0.11 0.45 -0.67 0.00 0.00 178.83 179.97 1wfe n SER 58 N -4.64 5.32 0.00 1.46 2.88 -1.26 -2.91 113.62 114.46 1wfe n SER 58 Ca -0.09 -2.54 0.00 0.00 -1.33 0.00 0.00 58.87 54.91 1wfe n SER 58 Cb 0.42 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 1wfe n SER 58 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1wfe n ASP 59 N 1.07 1.42 -1.64 -3.46 -0.08 -1.23 -4.80 116.55 107.82 1wfe n ASP 59 Ca 0.08 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.35 1wfe n ASP 59 Cb 0.54 0.08 0.29 0.00 2.34 0.00 0.00 41.12 44.37 1wfe n ASP 59 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wfe n HIS 60 N -1.37 1.92 -3.85 -0.67 1.44 -1.21 -4.87 115.22 106.61 1wfe n HIS 60 Ca 0.00 -1.13 -0.24 0.00 -2.01 0.00 0.00 57.72 54.33 1wfe n HIS 60 Cb 0.16 -0.57 0.00 0.00 0.12 0.00 0.00 29.99 29.70 1wfe n HIS 60 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1wfe n ASP 61 N -0.28 -0.93 -4.55 4.39 2.03 -1.25 -4.75 116.55 111.22 1wfe n ASP 61 Ca 0.34 -0.95 -0.56 0.00 0.52 0.00 0.00 54.79 54.14 1wfe n ASP 61 Cb 1.22 -3.39 -0.08 0.00 -0.72 0.00 0.00 41.12 38.15 1wfe n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wfe h GLU 63 N 9.17 0.00 -0.25 0.00 9.09 -1.93 -2.71 114.58 127.95 1wfe h GLU 63 Ca -0.34 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 58.99 1wfe h GLU 63 Cb 1.34 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.43 1wfe h GLU 63 CO 1.00 0.17 -0.15 0.87 0.05 0.00 0.00 179.01 180.96 1wfe h LYS 64 N 0.00 0.54 -5.77 1.06 1.79 -1.91 -3.46 116.57 108.83 1wfe h LYS 64 Ca -0.00 -0.25 -0.55 0.00 -2.18 0.00 0.00 60.65 57.67 1wfe h LYS 64 Cb 0.33 -0.01 0.21 0.00 -1.58 0.00 0.00 32.23 31.18 1wfe h LYS 64 CO 0.02 0.81 -1.54 1.28 -1.08 0.00 0.00 179.45 178.94 1wfe n LEU 65 N -4.45 -4.97 -1.82 2.94 4.77 -1.02 -4.71 117.00 107.73 1wfe n LEU 65 Ca -0.04 0.34 -0.08 0.00 -0.03 0.00 0.00 56.01 56.20 1wfe n LEU 65 Cb 0.37 -0.76 -0.08 0.00 -2.33 0.00 0.00 43.42 40.61 1wfe n LEU 65 CO 0.41 -5.37 1.34 1.21 -1.33 0.00 0.00 177.39 173.65 1wfe n GLU 66 N 2.05 1.60 -3.75 3.23 0.00 -1.26 -4.67 120.64 117.84 1wfe n GLU 66 Ca 0.02 -0.70 -0.33 0.00 0.00 0.00 0.00 57.16 56.15 1wfe n GLU 66 Cb 0.51 -1.58 -0.09 0.00 0.00 0.00 0.00 31.44 30.28 1wfe n GLU 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 1wfe s VAL 67 N 0.23 3.68 -0.51 6.31 -7.23 -1.26 -4.96 120.40 116.66 1wfe s VAL 67 Ca 0.37 -3.80 0.05 0.00 -1.81 0.00 0.00 61.98 56.79 1wfe s VAL 67 Cb 0.19 -3.35 0.18 0.00 0.56 0.00 0.00 36.38 33.96 1wfe s VAL 67 CO -0.01 -1.01 0.42 0.00 -0.31 0.00 0.00 175.10 174.19 1wfe n ALA 68 N 2.48 3.05 -2.77 1.32 0.00 -1.26 -5.03 120.51 118.30 1wfe n ALA 68 Ca 0.17 -3.63 -0.16 0.00 0.00 0.00 0.00 53.44 49.82 1wfe n ALA 68 Cb 0.36 -0.85 -0.14 0.00 0.00 0.00 0.00 19.45 18.83 1wfe n ALA 68 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wfe s LYS 69 N -0.62 0.53 0.00 0.00 3.01 -1.26 -5.02 119.74 116.38 1wfe s LYS 69 Ca 0.31 -0.41 0.15 0.00 -1.01 0.00 0.00 55.97 55.01 1wfe s LYS 69 Cb 0.03 -0.46 0.74 0.00 -1.01 0.00 0.00 37.83 37.14 1wfe s LYS 69 CO -0.18 0.12 1.40 -0.35 0.51 0.00 0.00 175.35 176.85 1wfe n PRO 70 N 2.45 0.21 -0.02 -1.68 -0.04 -1.26 -3.56 135.00 131.09 1wfe n PRO 70 Ca -0.16 0.15 -0.09 0.00 -0.04 0.00 0.00 63.50 63.36 1wfe n PRO 70 Cb 0.57 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 1wfe n PRO 70 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wfe h ARG 71 N 0.00 -0.26 -4.30 0.54 3.08 -2.03 -3.43 114.38 107.98 1wfe h ARG 71 Ca 0.00 0.02 -0.52 0.00 0.07 0.00 0.00 59.98 59.55 1wfe h ARG 71 Cb 0.14 0.06 0.06 0.00 0.08 0.00 0.00 29.97 30.30 1wfe h ARG 71 CO 0.00 -0.17 -0.17 0.00 -1.07 0.00 0.00 179.97 178.55 1wfe n MET 72 N -5.37 0.00 -3.54 0.04 0.00 -1.23 -4.95 117.12 102.07 1wfe n MET 72 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.58 1wfe n MET 72 Cb 0.28 -0.89 -0.02 0.00 0.00 0.00 0.00 33.22 32.59 1wfe n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wfe s ALA 73 N -0.36 -1.49 -0.03 3.17 0.00 -1.26 -5.15 121.76 116.64 1wfe s ALA 73 Ca 0.55 0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.77 1wfe s ALA 73 Cb -0.79 0.88 0.03 0.00 0.00 0.00 0.00 23.12 23.24 1wfe s ALA 73 CO 0.40 -0.84 0.03 0.00 0.00 0.00 0.00 175.76 175.36 1wfe s ALA 74 N -3.80 0.24 -0.35 0.00 0.00 -1.26 -5.03 121.76 111.56 1wfe s ALA 74 Ca 0.04 0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.25 1wfe s ALA 74 Cb -0.02 -0.45 0.46 0.00 0.00 0.00 0.00 23.12 23.10 1wfe s ALA 74 CO -0.08 -0.28 1.34 0.25 0.00 0.00 0.00 175.76 176.99 1wfe n THR 75 N 4.70 2.70 -3.85 0.00 -2.24 -1.26 -5.01 114.28 109.32 1wfe n THR 75 Ca -0.16 -3.94 -0.10 0.00 -2.27 0.00 0.00 64.05 57.58 1wfe n THR 75 Cb 0.50 -1.09 -0.08 0.00 -2.10 0.00 0.00 70.33 67.56 1wfe n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfe s GLN 76 N -3.62 0.75 -0.66 -0.78 -2.07 -1.26 -5.05 119.66 106.97 1wfe s GLN 76 Ca 0.53 -0.77 -0.01 0.00 -1.82 0.00 0.00 55.36 53.29 1wfe s GLN 76 Cb 0.43 0.31 0.44 0.00 -1.09 0.00 0.00 33.01 33.09 1wfe s GLN 76 CO 0.03 -0.23 1.96 1.63 -1.32 0.00 0.00 175.29 177.36 1wfe n LYS 77 N 0.38 2.78 -3.62 9.60 5.02 -1.26 -4.91 118.16 126.14 1wfe n LYS 77 Ca -0.17 -3.40 -0.09 0.00 -2.02 0.00 0.00 58.31 52.62 1wfe n LYS 77 Cb 0.60 -2.29 -0.06 0.00 -0.02 0.00 0.00 35.03 33.26 1wfe n LYS 77 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1wfe s LEU 78 N -3.84 -0.41 -0.48 -0.35 0.05 -1.26 -5.05 118.68 107.35 1wfe s LEU 78 Ca 0.62 0.68 0.03 0.00 0.05 0.00 0.00 54.13 55.51 1wfe s LEU 78 Cb 0.49 1.84 0.48 0.00 -2.05 0.00 0.00 46.19 46.95 1wfe s LEU 78 CO -0.06 -0.21 1.68 1.33 -0.55 0.00 0.00 176.35 178.55 1wfe n VAL 79 N 1.70 3.10 -3.42 1.48 0.24 -1.26 -4.87 118.33 115.29 1wfe n VAL 79 Ca -0.12 -3.22 -0.43 0.00 -2.04 0.00 0.00 64.34 58.54 1wfe n VAL 79 Cb 0.57 -0.97 -0.03 0.00 -1.47 0.00 0.00 33.84 31.94 1wfe n VAL 79 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1wfe s ARG 80 N -3.63 3.74 -0.13 7.34 6.06 -1.26 -4.98 118.95 126.08 1wfe s ARG 80 Ca 0.57 -2.98 -0.06 0.00 -2.50 0.00 0.00 55.73 50.76 1wfe s ARG 80 Cb 0.46 -4.34 0.06 0.00 0.06 0.00 0.00 34.95 31.19 1wfe s ARG 80 CO 0.02 -1.25 0.30 -1.54 -2.50 0.00 0.00 175.30 170.32 1wfe s SER 81 N 1.21 -0.08 -0.50 -2.12 1.04 -1.26 -5.09 113.70 106.90 1wfe s SER 81 Ca 0.26 0.66 0.07 0.00 0.48 0.00 0.00 55.95 57.41 1wfe s SER 81 Cb -0.10 0.67 0.21 0.00 0.10 0.00 0.00 66.02 66.90 1wfe s SER 81 CO -0.09 -0.20 0.77 0.61 0.98 0.00 0.00 173.24 175.31 1wfe n GLY 82 N 4.77 -0.12 3.57 7.32 0.00 -1.26 -5.11 105.19 114.36 1wfe n GLY 82 Ca -0.16 0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1wfe n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfe s PRO 83 N 0.71 2.86 -0.01 1.61 0.04 -1.26 -4.88 135.00 134.07 1wfe s PRO 83 Ca 0.31 0.83 -0.23 0.00 0.04 0.00 0.00 61.00 61.95 1wfe s PRO 83 Cb 0.10 -4.32 -0.15 0.00 0.04 0.00 0.00 34.50 30.17 1wfe s PRO 83 CO -0.14 -2.44 1.07 0.77 0.04 0.00 0.00 177.00 176.30 1wfe h SER 84 N 14.15 -0.39 -6.64 6.66 0.02 -2.07 -3.46 113.55 121.81 1wfe h SER 84 Ca -0.28 -0.16 -0.53 0.00 -0.84 0.00 0.00 61.79 59.98 1wfe h SER 84 Cb 1.16 0.10 -0.15 0.00 0.14 0.00 0.00 62.40 63.65 1wfe h SER 84 CO 1.16 0.02 -0.83 -1.20 -1.14 0.00 0.00 176.83 174.84 1wfe n SER 85 N -5.13 -2.91 0.00 3.07 7.64 -1.26 -5.37 113.62 109.66 1wfe n SER 85 Ca -0.09 -0.98 0.00 0.00 1.01 0.00 0.00 58.87 58.81 1wfe n SER 85 Cb 0.27 -2.97 0.00 0.00 -1.01 0.00 0.00 64.21 60.50 1wfe n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64