#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfe s SER 2 N 0.00 -0.20 0.33 1.61 0.15 -1.26 -5.15 113.70 109.18 1wfe s SER 2 Ca 0.00 0.13 -0.14 0.00 0.70 0.00 0.00 55.95 56.64 1wfe s SER 2 Cb 0.00 1.40 0.03 0.00 -1.71 0.00 0.00 66.02 65.74 1wfe s SER 2 CO 0.00 -0.31 0.67 -0.44 1.20 0.00 0.00 173.24 174.36 1wfe s SER 3 N 2.63 0.09 -0.28 5.45 0.01 -1.26 -5.19 113.70 115.16 1wfe s SER 3 Ca 0.13 -1.05 -0.27 0.00 1.31 0.00 0.00 55.95 56.07 1wfe s SER 3 Cb -0.14 0.75 0.18 0.00 0.21 0.00 0.00 66.02 67.03 1wfe s SER 3 CO -0.23 -1.46 1.33 -0.83 0.41 0.00 0.00 173.24 172.46 1wfe s GLY 4 N -3.06 0.15 0.06 3.44 0.00 -1.26 -5.18 107.32 101.47 1wfe s GLY 4 Ca 0.18 3.04 -0.04 0.00 0.00 0.00 0.00 44.72 47.90 1wfe s GLY 4 CO 0.12 1.52 0.05 -0.56 0.00 0.00 0.00 173.10 174.23 1wfe s SER 5 N -0.48 0.33 0.14 1.64 0.01 -1.26 -5.17 113.70 108.91 1wfe s SER 5 Ca 0.07 -0.82 0.06 0.00 1.31 0.00 0.00 55.95 56.57 1wfe s SER 5 Cb -0.03 0.24 -0.04 0.00 0.21 0.00 0.00 66.02 66.40 1wfe s SER 5 CO -0.10 -0.62 -0.14 -0.55 0.41 0.00 0.00 173.24 172.24 1wfe s SER 6 N -2.76 2.14 0.00 2.44 0.15 -1.26 -5.09 113.70 109.32 1wfe s SER 6 Ca 0.04 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 55.81 1wfe s SER 6 Cb 0.05 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1wfe s SER 6 CO -0.09 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1wfe n GLY 7 N 0.24 2.54 3.63 9.45 0.00 -1.26 -5.18 105.19 114.61 1wfe n GLY 7 Ca -0.13 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 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 0.12 0.04 1.17 0.00 0.01 -1.26 -5.17 113.70 108.61 1wfe s SER 9 Ca 0.03 -0.23 -0.18 0.00 1.31 0.00 0.00 55.95 56.88 1wfe s SER 9 Cb -0.05 0.20 0.27 0.00 0.21 0.00 0.00 66.02 66.65 1wfe s SER 9 CO -0.05 -0.36 1.12 -1.83 0.41 0.00 0.00 173.24 172.53 1wfe s GLU 10 N -1.37 -0.95 -0.30 12.44 -1.05 -1.26 -5.09 118.70 121.13 1wfe s GLU 10 Ca -0.15 -0.03 -0.16 0.00 -0.15 0.00 0.00 54.97 54.48 1wfe s GLU 10 Cb -0.08 -1.62 0.19 0.00 -0.44 0.00 0.00 34.13 32.17 1wfe s GLU 10 CO 0.01 -3.54 1.15 0.54 0.95 0.00 0.00 175.26 174.38 1wfe s VAL 11 N -3.05 -0.05 -0.30 1.83 0.11 -1.26 -5.14 120.40 112.55 1wfe s VAL 11 Ca 0.70 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.74 1wfe s VAL 11 Cb -0.10 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.84 1wfe s VAL 11 CO 0.56 0.00 0.09 0.20 -3.33 0.00 0.00 175.10 172.62 1wfe s ASN 12 N 1.35 3.93 -0.07 3.54 0.01 -1.26 -5.10 114.94 117.34 1wfe s ASN 12 Ca -0.07 -1.56 0.00 0.00 -0.71 0.00 0.00 52.86 50.52 1wfe s ASN 12 Cb -0.03 -0.83 0.02 0.00 0.41 0.00 0.00 41.25 40.83 1wfe s ASN 12 CO -0.13 -0.41 -0.04 -0.69 -1.51 0.00 0.00 177.10 174.33 1wfe s VAL 13 N 1.65 0.63 0.14 1.60 1.01 -1.26 -5.11 120.40 119.06 1wfe s VAL 13 Ca 0.09 -0.10 -0.33 0.00 0.00 0.00 0.00 61.98 61.64 1wfe s VAL 13 Cb -0.17 -0.69 -0.12 0.00 0.00 0.00 0.00 36.38 35.39 1wfe s VAL 13 CO -0.24 0.28 1.71 0.52 0.00 0.00 0.00 175.10 177.37 1wfe n VAL 14 N 4.60 0.15 -0.81 2.92 0.31 -1.26 -4.85 118.33 119.40 1wfe n VAL 14 Ca -0.16 -0.03 -0.26 0.00 -0.01 0.00 0.00 64.34 63.88 1wfe n VAL 14 Cb 0.50 -1.83 -0.00 0.00 -0.91 0.00 0.00 33.84 31.60 1wfe n VAL 14 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1wfe n LYS 15 N 4.45 0.00 -2.86 5.55 0.00 -1.26 -4.86 118.16 119.18 1wfe n LYS 15 Ca 0.18 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.14 1wfe n LYS 15 Cb 0.32 -0.62 -0.07 0.00 -0.00 0.00 0.00 35.03 34.66 1wfe n LYS 15 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1wfe s GLU 16 N -0.62 4.36 0.60 -1.58 -1.05 -1.26 -5.05 118.70 114.09 1wfe s GLU 16 Ca 0.37 1.14 -0.13 0.00 -0.15 0.00 0.00 54.97 56.20 1wfe s GLU 16 Cb -0.39 -2.52 -0.04 0.00 -0.44 0.00 0.00 34.13 30.73 1wfe s GLU 16 CO 0.39 0.15 1.03 1.03 0.95 0.00 0.00 175.26 178.81 1wfe s ARG 17 N -2.59 3.54 -1.08 -4.83 0.52 -1.26 -4.93 118.95 108.32 1wfe s ARG 17 Ca 0.55 0.92 -0.23 0.00 -0.52 0.00 0.00 55.73 56.45 1wfe s ARG 17 Cb -0.14 -2.07 -0.07 0.00 0.52 0.00 0.00 34.95 33.19 1wfe s ARG 17 CO 0.19 -0.62 1.94 -1.25 0.02 0.00 0.00 175.30 175.58 1wfe s PRO 18 N -4.64 2.52 0.14 3.54 0.04 -1.26 -4.92 135.00 130.42 1wfe s PRO 18 Ca 0.58 -0.83 -0.23 0.00 0.04 0.00 0.00 61.00 60.56 1wfe s PRO 18 Cb -0.12 -5.17 -0.14 0.00 0.04 0.00 0.00 34.50 29.11 1wfe s PRO 18 CO 0.44 -3.74 0.47 1.17 0.04 0.00 0.00 177.00 175.38 1wfe n LYS 19 N 8.51 0.00 -4.00 4.56 3.00 -1.26 -4.92 118.16 124.04 1wfe n LYS 19 Ca 0.43 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.39 1wfe n LYS 19 Cb 0.47 -0.84 -0.14 0.00 0.00 0.00 0.00 35.03 34.52 1wfe n LYS 19 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1wfe s THR 20 N -0.68 3.39 0.15 3.15 -4.23 -1.26 -5.01 115.64 111.15 1wfe s THR 20 Ca 0.53 -0.49 -0.26 0.00 -1.18 0.00 0.00 61.69 60.29 1wfe s THR 20 Cb -0.77 -2.53 0.01 0.00 1.34 0.00 0.00 72.50 70.55 1wfe s THR 20 CO 0.44 0.43 1.58 0.44 -0.54 0.00 0.00 174.62 176.98 1wfe h ASP 21 N 7.91 -1.32 -4.22 3.99 3.32 -2.05 -3.41 116.42 120.64 1wfe h ASP 21 Ca -0.40 0.21 -0.52 0.00 0.02 0.00 0.00 57.03 56.34 1wfe h ASP 21 Cb 1.17 0.58 0.14 0.00 0.22 0.00 0.00 39.33 41.44 1wfe h ASP 21 CO 0.60 -0.36 0.35 -1.61 -1.72 0.00 0.00 179.24 176.50 1wfe s GLU 22 N -5.90 2.17 -0.15 3.56 2.02 -1.26 -4.99 118.70 114.16 1wfe s GLU 22 Ca -0.15 1.52 -0.04 0.00 0.02 0.00 0.00 54.97 56.32 1wfe s GLU 22 Cb 0.12 -1.86 -0.08 0.00 0.10 0.00 0.00 34.13 32.41 1wfe s GLU 22 CO 0.66 -1.76 -0.17 1.58 0.02 0.00 0.00 175.26 175.59 1wfe n HIS 23 N -3.00 0.00 -3.53 1.61 -0.00 -1.26 -5.04 115.22 104.00 1wfe n HIS 23 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 1wfe n HIS 23 Cb 0.51 -0.55 -0.04 0.00 -0.00 0.00 0.00 29.99 29.92 1wfe n HIS 23 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 1wfe s LYS 24 N -2.28 0.46 -0.06 1.57 -2.85 -1.26 -5.16 119.74 110.16 1wfe s LYS 24 Ca -0.21 1.15 0.03 0.00 -1.00 0.00 0.00 55.97 55.94 1wfe s LYS 24 Cb 0.07 0.69 0.01 0.00 -2.06 0.00 0.00 37.83 36.54 1wfe s LYS 24 CO 0.29 -0.17 -0.13 -1.12 0.10 0.00 0.00 175.35 174.32 1wfe s SER 25 N 2.72 1.79 -0.12 0.03 0.01 -1.26 -4.00 113.70 112.88 1wfe s SER 25 Ca -0.04 -0.30 -0.04 0.00 1.31 0.00 0.00 55.95 56.88 1wfe s SER 25 Cb -0.10 -0.71 -0.04 0.00 0.21 0.00 0.00 66.02 65.38 1wfe s SER 25 CO -0.18 0.07 0.03 -0.31 0.41 0.00 0.00 173.24 173.25 1wfe s TYR 26 N 0.46 3.23 0.26 2.43 1.51 -0.64 -4.86 117.35 119.74 1wfe s TYR 26 Ca -0.11 0.17 -0.19 0.00 -1.01 0.00 0.00 57.07 55.93 1wfe s TYR 26 Cb -0.14 -1.89 -0.09 0.00 -0.11 0.00 0.00 41.96 39.73 1wfe s TYR 26 CO 0.03 0.39 0.75 -1.54 -1.11 0.00 0.00 175.55 174.07 1wfe s SER 27 N -0.49 7.00 0.34 2.29 1.04 -1.26 -2.73 113.70 119.88 1wfe s SER 27 Ca 0.09 1.42 -0.28 0.00 0.48 0.00 0.00 55.95 57.67 1wfe s SER 27 Cb -0.12 -2.42 -0.10 0.00 0.10 0.00 0.00 66.02 63.48 1wfe s SER 27 CO 0.02 -0.05 1.23 0.00 0.98 0.00 0.00 173.24 175.42 1wfe n SER 29 N 0.65 3.96 -4.81 0.00 7.64 0.21 -4.91 113.62 116.36 1wfe n SER 29 Ca 0.01 -3.58 -0.36 0.00 1.01 0.00 0.00 58.87 55.95 1wfe n SER 29 Cb 0.44 -0.84 -0.07 0.00 -1.01 0.00 0.00 64.21 62.73 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 -3.25 3.42 -0.81 1.43 5.36 -1.26 -5.01 117.98 117.86 1wfe s PHE 30 Ca 0.56 0.37 -0.25 0.00 -0.96 0.00 0.00 56.93 56.65 1wfe s PHE 30 Cb 0.47 -1.86 -0.03 0.00 -0.34 0.00 0.00 43.02 41.26 1wfe s PHE 30 CO 0.10 0.62 1.85 0.21 -1.46 0.00 0.00 175.22 176.54 1wfe s LYS 31 N -1.13 2.69 0.00 10.12 2.20 -1.26 -2.91 119.74 129.44 1wfe s LYS 31 Ca 0.16 -0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.71 1wfe s LYS 31 Cb -0.12 -4.82 0.00 0.00 -1.51 0.00 0.00 37.83 31.38 1wfe s LYS 31 CO 0.06 -3.01 0.00 0.41 -0.36 0.00 0.00 175.35 172.44 1wfe n GLY 32 N 6.41 1.12 3.20 5.54 0.00 -1.26 -5.14 105.19 115.05 1wfe n GLY 32 Ca 0.31 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 3.81 1.93 -4.09 0.00 -2.24 -1.26 -4.67 114.28 107.75 1wfe n THR 34 Ca -0.20 -3.48 -0.33 0.00 -2.27 0.00 0.00 64.05 57.77 1wfe n THR 34 Cb 0.55 -0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.58 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 -3.51 5.70 0.33 3.42 1.01 -1.26 -4.96 116.67 117.40 1wfe s ASP 35 Ca 0.41 0.14 0.04 0.00 0.71 0.00 0.00 52.55 53.85 1wfe s ASP 35 Cb 0.38 -1.64 -0.06 0.00 1.01 0.00 0.00 42.92 42.61 1wfe s ASP 35 CO -0.01 0.26 0.06 0.68 0.21 0.00 0.00 175.17 176.37 1wfe s VAL 36 N -1.22 1.16 0.10 -1.27 -7.23 -1.26 -2.25 120.40 108.43 1wfe s VAL 36 Ca 0.24 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.28 1wfe s VAL 36 Cb -0.12 -2.77 0.02 0.00 0.56 0.00 0.00 36.38 34.07 1wfe s VAL 36 CO 0.15 0.00 0.30 -1.61 -0.31 0.00 0.00 175.10 173.64 1wfe s GLU 37 N -3.89 0.94 0.17 4.82 0.41 -1.11 -4.91 118.70 115.13 1wfe s GLU 37 Ca 0.36 -0.76 -0.14 0.00 -0.41 0.00 0.00 54.97 54.02 1wfe s GLU 37 Cb 0.08 0.40 0.12 0.00 -1.78 0.00 0.00 34.13 32.95 1wfe s GLU 37 CO 0.15 -0.33 1.77 -0.07 -0.49 0.00 0.00 175.26 176.29 1wfe h LEU 38 N 2.66 0.27-10.56 1.80 3.38 -1.93 -1.71 115.31 109.24 1wfe h LEU 38 Ca -0.34 0.04 -0.45 0.00 0.09 0.00 0.00 57.88 57.22 1wfe h LEU 38 Cb 1.22 -0.01 0.07 0.00 0.09 0.00 0.00 40.66 42.03 1wfe h LEU 38 CO 0.50 0.19 0.12 0.68 0.09 0.00 0.00 178.44 180.03 1wfe s VAL 39 N -6.14 2.41 -0.44 1.22 -7.23 -1.26 -4.41 120.40 104.55 1wfe s VAL 39 Ca -0.13 -0.44 0.02 0.00 -1.81 0.00 0.00 61.98 59.62 1wfe s VAL 39 Cb 0.13 -2.97 0.12 0.00 0.56 0.00 0.00 36.38 34.22 1wfe s VAL 39 CO 0.73 0.00 0.19 0.00 -0.31 0.00 0.00 175.10 175.70 1wfe s ALA 40 N -3.06 3.15 -0.62 1.32 0.00 -1.26 -4.39 121.76 116.91 1wfe s ALA 40 Ca 0.60 -2.88 -0.27 0.00 0.00 0.00 0.00 51.96 49.40 1wfe s ALA 40 Cb -0.10 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.85 1wfe s ALA 40 CO 0.42 -1.87 1.58 0.08 0.00 0.00 0.00 175.76 175.98 1wfe s VAL 41 N 0.39 3.58 0.00 0.00 1.01 -1.25 -4.94 120.40 119.19 1wfe s VAL 41 Ca 0.13 0.40 -0.09 0.00 0.00 0.00 0.00 61.98 62.43 1wfe s VAL 41 Cb -0.22 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 31.79 1wfe s VAL 41 CO -0.04 -1.20 0.31 -0.63 0.00 0.00 0.00 175.10 173.53 1wfe s ILE 42 N 7.26 5.23 -0.19 2.22 -1.09 -1.26 -0.49 121.20 132.88 1wfe s ILE 42 Ca 0.55 0.37 -0.18 0.00 -2.23 0.00 0.00 60.65 59.16 1wfe s ILE 42 Cb -0.11 -3.59 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 1wfe s ILE 42 CO 0.21 0.43 0.48 0.00 -1.23 0.00 0.00 174.94 174.83 1wfe n PRO 44 N 4.62 0.49 -0.01 0.00 -0.04 -1.26 0.52 135.00 139.31 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 -1.19 -0.01 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.69 0.00 1.10 0.54 4.02 -1.26 -4.74 117.16 116.13 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 -0.15 0.28 0.00 -0.02 0.00 0.00 39.34 39.47 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 -1.10 -5.24 -4.26 0.00 1.02 0.18 -4.97 120.64 106.28 1wfe n GLU 47 Ca 0.08 0.68 -0.18 0.00 -0.02 0.00 0.00 57.16 57.72 1wfe n GLU 47 Cb 0.34 -5.34 -0.11 0.00 -0.02 0.00 0.00 31.44 26.31 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 -5.80 1.07 -0.06 3.49 1.02 -1.25 -4.81 119.74 113.41 1wfe s LYS 48 Ca 0.01 -1.31 -0.19 0.00 0.02 0.00 0.00 55.97 54.51 1wfe s LYS 48 Cb -0.00 -0.93 -0.05 0.00 -0.52 0.00 0.00 37.83 36.33 1wfe s LYS 48 CO 0.79 0.17 0.51 1.21 -0.92 0.00 0.00 175.35 177.11 1wfe s ASN 49 N -2.62 6.81 0.26 2.83 2.47 -1.26 -0.74 114.94 122.69 1wfe s ASN 49 Ca 0.11 0.97 0.02 0.00 0.42 0.00 0.00 52.86 54.39 1wfe s ASN 49 Cb -0.04 -2.31 -0.04 0.00 -1.45 0.00 0.00 41.25 37.41 1wfe s ASN 49 CO 0.03 0.09 0.18 -0.36 -3.72 0.00 0.00 177.10 173.32 1wfe s PHE 50 N 0.06 1.45 0.22 0.43 0.40 0.35 -0.61 117.98 120.29 1wfe s PHE 50 Ca 0.28 -1.44 -0.06 0.00 -0.60 0.00 0.00 56.93 55.10 1wfe s PHE 50 Cb -0.16 -0.70 -0.06 0.00 0.51 0.00 0.00 43.02 42.61 1wfe s PHE 50 CO 0.13 -0.66 0.49 0.00 0.70 0.00 0.00 175.22 175.89 1wfe h LEU 52 N 2.27 0.45 -1.20 0.00 -0.00 -1.96 1.54 115.31 116.41 1wfe h LEU 52 Ca -0.47 0.19 -0.06 0.00 -0.00 0.00 0.00 57.88 57.54 1wfe h LEU 52 Cb 1.18 0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.98 1wfe h LEU 52 CO 0.69 -0.19 -0.11 0.03 -0.00 0.00 0.00 178.44 178.86 1wfe h ARG 53 N 0.24 0.42 -0.45 1.13 2.47 -2.02 -3.01 114.38 113.17 1wfe h ARG 53 Ca 0.76 -0.11 -0.33 0.00 -1.26 0.00 0.00 59.98 59.05 1wfe h ARG 53 Cb 1.87 -0.05 -0.25 0.00 -1.65 0.00 0.00 29.97 29.89 1wfe h ARG 53 CO -0.60 0.54 -0.69 0.72 0.56 0.00 0.00 179.97 180.49 1wfe n HIS 54 N -4.23 1.63 0.06 3.04 8.25 0.46 -4.73 115.22 119.69 1wfe n HIS 54 Ca 0.00 -1.93 -0.13 0.00 -0.26 0.00 0.00 57.72 55.41 1wfe n HIS 54 Cb 0.30 -0.30 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 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 1.70 0.44 -7.23 -0.41 0.11 0.64 -3.37 114.38 106.26 1wfe h ARG 55 Ca 0.22 -0.43 -0.52 0.00 0.10 0.00 0.00 59.98 59.36 1wfe h ARG 55 Cb 1.32 0.11 0.20 0.00 1.11 0.00 0.00 29.97 32.71 1wfe h ARG 55 CO 0.45 1.08 0.16 0.72 0.10 0.00 0.00 179.97 182.48 1wfe n HIS 56 N -3.79 0.61 0.00 4.08 8.25 -1.26 -4.90 115.22 118.21 1wfe n HIS 56 Ca -0.06 0.36 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 1wfe n HIS 56 Cb 0.79 -1.97 0.00 0.00 1.12 0.00 0.00 29.99 29.93 1wfe n HIS 56 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1wfe n GLN 57 N -4.17 0.00 -0.32 -0.41 6.02 -1.26 -2.77 117.38 114.47 1wfe n GLN 57 Ca 0.11 0.24 0.19 0.00 -0.01 0.00 0.00 57.00 57.53 1wfe n GLN 57 Cb 0.52 -1.13 0.46 0.00 1.02 0.00 0.00 30.24 31.11 1wfe n GLN 57 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1wfe h SER 58 N 0.00 0.54 -0.54 1.08 0.87 -1.93 -0.35 113.55 113.22 1wfe h SER 58 Ca 0.00 0.08 0.11 0.00 -1.23 0.00 0.00 61.79 60.75 1wfe h SER 58 Cb 0.00 -0.01 -0.11 0.00 -0.44 0.00 0.00 62.40 61.85 1wfe h SER 58 CO 0.00 0.14 -0.18 0.44 -0.53 0.00 0.00 176.83 176.70 1wfe h ASP 59 N 0.50 -0.64 -0.41 6.23 5.19 -1.91 0.34 116.42 125.71 1wfe h ASP 59 Ca 0.57 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 57.16 1wfe h ASP 59 Cb 1.28 0.39 0.00 0.00 0.18 0.00 0.00 39.33 41.18 1wfe h ASP 59 CO -0.31 -0.22 0.00 0.00 -3.12 0.00 0.00 179.24 175.59 1wfe n HIS 60 N -5.40 1.33 -3.57 4.55 1.44 -0.29 -4.91 115.22 108.36 1wfe n HIS 60 Ca 0.05 -0.48 -0.20 0.00 -2.01 0.00 0.00 57.72 55.08 1wfe n HIS 60 Cb 0.31 -0.33 0.05 0.00 0.12 0.00 0.00 29.99 30.14 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 0.51 -2.57 -4.65 4.39 2.03 0.12 -4.80 116.55 111.59 1wfe n ASP 61 Ca 0.19 -0.78 -0.59 0.00 0.52 0.00 0.00 54.79 54.13 1wfe n ASP 61 Cb 0.84 -4.41 -0.08 0.00 -0.72 0.00 0.00 41.12 36.75 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 5.12 0.02 -0.34 0.00 4.11 -1.91 -2.97 114.58 118.61 1wfe h GLU 63 Ca -0.47 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 58.89 1wfe h GLU 63 Cb 1.36 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1wfe h GLU 63 CO 0.86 0.39 -0.02 0.87 0.07 0.00 0.00 179.01 181.17 1wfe h LYS 64 N 0.02 0.62 -5.19 1.06 1.79 -1.90 -3.46 116.57 109.52 1wfe h LYS 64 Ca -0.00 -0.21 -0.50 0.00 -2.18 0.00 0.00 60.65 57.76 1wfe h LYS 64 Cb 0.66 -0.05 0.17 0.00 -1.58 0.00 0.00 32.23 31.43 1wfe h LYS 64 CO 0.05 0.75 -1.22 1.28 -1.08 0.00 0.00 179.45 179.23 1wfe n LEU 65 N -4.49 -3.92 -2.50 2.94 4.77 -1.12 -4.79 117.00 107.88 1wfe n LEU 65 Ca -0.02 0.42 -0.29 0.00 -0.03 0.00 0.00 56.01 56.09 1wfe n LEU 65 Cb 0.29 -0.71 -0.02 0.00 -2.33 0.00 0.00 43.42 40.66 1wfe n LEU 65 CO 0.40 -4.54 1.52 -0.62 -1.33 0.00 0.00 177.39 172.82 1wfe n GLU 66 N 1.62 2.43 -3.60 3.23 4.71 -1.26 -4.81 120.64 122.95 1wfe n GLU 66 Ca 0.04 -2.58 -0.27 0.00 -0.01 0.00 0.00 57.16 54.34 1wfe n GLU 66 Cb 0.43 -2.12 -0.17 0.00 -1.01 0.00 0.00 31.44 28.58 1wfe n GLU 66 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1wfe s VAL 67 N -3.06 -0.06 1.09 2.62 1.01 -1.26 -5.15 120.40 115.60 1wfe s VAL 67 Ca 0.54 -0.31 -0.17 0.00 0.00 0.00 0.00 61.98 62.05 1wfe s VAL 67 Cb 0.39 -0.68 0.24 0.00 0.00 0.00 0.00 36.38 36.33 1wfe s VAL 67 CO -0.23 -0.38 1.16 0.00 0.00 0.00 0.00 175.10 175.65 1wfe s ALA 68 N 2.12 1.13 0.30 5.51 0.00 -1.26 -5.00 121.76 124.56 1wfe s ALA 68 Ca 0.03 -0.89 -0.29 0.00 0.00 0.00 0.00 51.96 50.82 1wfe s ALA 68 Cb -0.16 -2.91 -0.10 0.00 0.00 0.00 0.00 23.12 19.96 1wfe s ALA 68 CO -0.15 -3.10 1.13 0.15 0.00 0.00 0.00 175.76 173.79 1wfe s LYS 69 N -5.44 4.56 0.00 0.00 1.02 -1.26 -4.91 119.74 113.71 1wfe s LYS 69 Ca 0.70 1.86 0.16 0.00 0.02 0.00 0.00 55.97 58.70 1wfe s LYS 69 Cb -0.10 -3.13 0.93 0.00 -0.52 0.00 0.00 37.83 35.01 1wfe s LYS 69 CO 0.55 0.12 1.35 -0.35 -0.92 0.00 0.00 175.35 176.10 1wfe n PRO 70 N 1.05 0.48 -4.32 -1.68 -0.04 -1.26 -4.67 135.00 124.57 1wfe n PRO 70 Ca -0.01 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.27 1wfe n PRO 70 Cb 0.45 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.27 1wfe n PRO 70 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1wfe s ARG 71 N -2.01 0.82 0.52 0.54 1.70 -1.26 -5.16 118.95 114.10 1wfe s ARG 71 Ca 0.23 -0.64 0.08 0.00 -0.47 0.00 0.00 55.73 54.93 1wfe s ARG 71 Cb 0.11 -0.79 0.04 0.00 -0.57 0.00 0.00 34.95 33.74 1wfe s ARG 71 CO 0.18 0.20 0.58 -1.64 -1.08 0.00 0.00 175.30 173.54 1wfe s MET 72 N -0.96 2.40 0.56 3.89 -1.94 -1.26 -5.09 119.30 116.90 1wfe s MET 72 Ca 0.00 -1.68 -0.19 0.00 -1.71 0.00 0.00 55.69 52.11 1wfe s MET 72 Cb -0.07 -2.46 -0.05 0.00 2.01 0.00 0.00 34.83 34.27 1wfe s MET 72 CO 0.01 -0.60 1.18 0.00 -0.01 0.00 0.00 175.02 175.59 1wfe s ALA 73 N -2.62 2.64 -0.65 3.03 0.00 -1.26 -4.92 121.76 117.97 1wfe s ALA 73 Ca 0.51 0.94 -0.27 0.00 0.00 0.00 0.00 51.96 53.13 1wfe s ALA 73 Cb -0.05 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.67 1wfe s ALA 73 CO 0.31 -0.97 1.54 0.00 0.00 0.00 0.00 175.76 176.64 1wfe s ALA 74 N -1.66 2.53 -0.66 0.00 0.00 -1.26 -4.92 121.76 115.79 1wfe s ALA 74 Ca 0.75 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.81 1wfe s ALA 74 Cb -0.28 -4.25 0.16 0.00 0.00 0.00 0.00 23.12 18.76 1wfe s ALA 74 CO 0.31 -3.46 0.45 -0.08 0.00 0.00 0.00 175.76 172.97 1wfe s THR 75 N 7.14 2.80 -0.04 0.00 -1.32 -1.26 -5.05 115.64 117.90 1wfe s THR 75 Ca 0.51 -4.07 -0.03 0.00 -1.21 0.00 0.00 61.69 56.90 1wfe s THR 75 Cb -0.11 -2.86 0.02 0.00 -1.51 0.00 0.00 72.50 68.05 1wfe s THR 75 CO 0.19 -0.97 0.10 -1.10 -2.21 0.00 0.00 174.62 170.63 1wfe s GLN 76 N -1.21 0.08 -0.46 7.08 -0.21 -1.26 -5.10 119.66 118.59 1wfe s GLN 76 Ca 0.23 0.21 -0.27 0.00 0.02 0.00 0.00 55.36 55.55 1wfe s GLN 76 Cb -0.09 -0.06 -0.04 0.00 1.00 0.00 0.00 33.01 33.83 1wfe s GLN 76 CO -0.13 -0.08 2.07 0.21 -2.12 0.00 0.00 175.29 175.24 1wfe s LYS 77 N 0.52 2.68 0.05 2.91 2.47 -1.26 -4.88 119.74 122.23 1wfe s LYS 77 Ca -0.04 1.24 -0.36 0.00 -1.56 0.00 0.00 55.97 55.25 1wfe s LYS 77 Cb -0.06 -4.41 -0.19 0.00 -1.46 0.00 0.00 37.83 31.72 1wfe s LYS 77 CO -0.02 -2.63 0.90 1.28 0.16 0.00 0.00 175.35 175.04 1wfe n LEU 78 N 13.09 -0.33 -4.72 5.43 4.77 -1.26 -4.94 117.00 129.03 1wfe n LEU 78 Ca 0.27 1.12 -0.31 0.00 -0.03 0.00 0.00 56.01 57.07 1wfe n LEU 78 Cb 0.51 -0.90 -0.08 0.00 -2.33 0.00 0.00 43.42 40.62 1wfe n LEU 78 CO 0.70 -2.14 -0.30 0.54 -1.33 0.00 0.00 177.39 174.86 1wfe s VAL 79 N -0.26 4.28 -1.18 4.08 0.11 -1.26 -4.55 120.40 121.63 1wfe s VAL 79 Ca 0.82 -0.77 -0.07 0.00 -2.93 0.00 0.00 61.98 59.03 1wfe s VAL 79 Cb -1.15 -3.01 0.01 0.00 -1.53 0.00 0.00 36.38 30.69 1wfe s VAL 79 CO 0.55 0.20 1.03 -1.14 -3.33 0.00 0.00 175.10 172.41 1wfe n ARG 80 N 0.78 -6.90 -3.95 1.54 0.63 -1.26 -5.00 116.66 102.50 1wfe n ARG 80 Ca -0.11 0.74 -0.30 0.00 -0.92 0.00 0.00 57.85 57.26 1wfe n ARG 80 Cb 0.52 -5.50 -0.16 0.00 0.45 0.00 0.00 32.46 27.77 1wfe n ARG 80 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1wfe s SER 81 N -3.43 3.67 0.00 6.15 0.01 -1.26 -5.08 113.70 113.76 1wfe s SER 81 Ca 0.44 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.63 1wfe s SER 81 Cb -0.19 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 64.85 1wfe s SER 81 CO 0.65 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.70 1wfe n GLY 82 N 4.68 3.10 3.67 3.44 0.00 -1.26 -5.09 105.19 113.73 1wfe n GLY 82 Ca -0.13 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.06 4.22 -0.29 1.61 0.04 -1.26 -5.00 135.00 132.26 1wfe s PRO 83 Ca 0.00 2.01 -0.13 0.00 0.04 0.00 0.00 61.00 62.92 1wfe s PRO 83 Cb 0.00 -3.82 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 1wfe s PRO 83 CO 0.00 -0.74 0.27 -1.54 0.04 0.00 0.00 177.00 175.03 1wfe s SER 84 N 2.61 6.11 0.68 6.66 1.04 -1.26 -5.08 113.70 124.47 1wfe s SER 84 Ca 0.66 0.03 -0.11 0.00 0.48 0.00 0.00 55.95 57.01 1wfe s SER 84 Cb -0.30 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1wfe s SER 84 CO 0.25 -0.13 1.06 -0.94 0.98 0.00 0.00 173.24 174.45 1wfe s SER 85 N 1.72 5.55 0.00 7.02 1.04 -1.26 -5.31 113.70 122.46 1wfe s SER 85 Ca 0.10 1.50 0.00 0.00 0.48 0.00 0.00 55.95 58.03 1wfe s SER 85 Cb -0.16 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1wfe s SER 85 CO 0.11 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 173.62