#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 4.37 -0.91 1.61 0.01 -1.26 -5.04 113.70 112.49 1wfe s SER 2 Ca 0.00 -2.78 -0.10 0.00 1.31 0.00 0.00 55.95 54.38 1wfe s SER 2 Cb 0.00 -1.59 0.23 0.00 0.21 0.00 0.00 66.02 64.87 1wfe s SER 2 CO 0.00 -0.27 0.84 -0.44 0.41 0.00 0.00 173.24 173.79 1wfe s SER 3 N 0.04 6.68 -0.43 2.44 0.01 -1.26 -4.58 113.70 116.60 1wfe s SER 3 Ca 0.16 -3.12 -0.00 0.00 1.31 0.00 0.00 55.95 54.29 1wfe s SER 3 Cb -0.24 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1wfe s SER 3 CO -0.02 -0.41 0.36 0.61 0.41 0.00 0.00 173.24 174.19 1wfe n GLY 4 N 3.31 0.19 3.81 3.44 0.00 -1.26 -5.03 105.19 109.65 1wfe n GLY 4 Ca 0.17 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 1wfe n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfe s SER 5 N -3.44 6.42 -0.29 1.61 0.15 -1.26 -5.08 113.70 111.81 1wfe s SER 5 Ca 0.02 0.49 -0.14 0.00 0.70 0.00 0.00 55.95 57.03 1wfe s SER 5 Cb -0.01 -2.12 0.11 0.00 -1.71 0.00 0.00 66.02 62.29 1wfe s SER 5 CO 0.26 0.28 0.72 -0.94 1.20 0.00 0.00 173.24 174.76 1wfe s SER 6 N -0.43 -0.96 -0.32 5.45 1.04 -1.26 -5.13 113.70 112.10 1wfe s SER 6 Ca 0.15 1.43 -0.07 0.00 0.48 0.00 0.00 55.95 57.94 1wfe s SER 6 Cb -0.13 1.72 0.19 0.00 0.10 0.00 0.00 66.02 67.91 1wfe s SER 6 CO 0.04 -0.21 0.96 -0.83 0.98 0.00 0.00 173.24 174.18 1wfe s GLY 7 N 2.12 -1.23 -0.40 7.32 0.00 -1.26 -5.04 107.32 108.83 1wfe s GLY 7 Ca -0.08 1.50 0.05 0.00 0.00 0.00 0.00 44.72 46.19 1wfe s GLY 7 CO -0.19 4.10 1.37 0.00 0.00 0.00 0.00 173.10 178.38 1wfe s SER 9 N -3.16 2.31 0.19 0.00 1.04 -1.26 -5.14 113.70 107.68 1wfe s SER 9 Ca 0.53 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1wfe s SER 9 Cb 0.43 -0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 1wfe s SER 9 CO -0.02 -0.33 0.08 -0.70 0.98 0.00 0.00 173.24 173.25 1wfe s GLU 10 N 2.09 1.16 -0.21 4.02 2.12 -1.26 -5.17 118.70 121.45 1wfe s GLU 10 Ca 0.02 -1.59 -0.27 0.00 0.36 0.00 0.00 54.97 53.49 1wfe s GLU 10 Cb -0.16 0.03 0.09 0.00 0.26 0.00 0.00 34.13 34.35 1wfe s GLU 10 CO -0.08 -0.28 0.81 0.54 -0.54 0.00 0.00 175.26 175.71 1wfe s VAL 11 N -3.94 0.00 -0.12 3.70 0.11 -1.26 -5.16 120.40 113.73 1wfe s VAL 11 Ca 0.32 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.34 1wfe s VAL 11 Cb 0.07 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 1wfe s VAL 11 CO 0.08 0.00 -0.02 0.54 -3.33 0.00 0.00 175.10 172.37 1wfe s ASN 12 N -0.17 4.98 0.03 3.54 4.22 -1.26 -5.10 114.94 121.18 1wfe s ASN 12 Ca -0.02 -0.01 -0.19 0.00 -2.14 0.00 0.00 52.86 50.50 1wfe s ASN 12 Cb -0.03 -1.62 -0.06 0.00 1.28 0.00 0.00 41.25 40.82 1wfe s ASN 12 CO 0.01 0.26 0.54 -0.69 -2.04 0.00 0.00 177.10 175.19 1wfe s VAL 13 N -0.18 4.85 -0.15 3.54 1.01 -1.26 -5.07 120.40 123.14 1wfe s VAL 13 Ca 0.04 1.15 -0.04 0.00 0.00 0.00 0.00 61.98 63.13 1wfe s VAL 13 Cb -0.13 -3.87 0.06 0.00 0.00 0.00 0.00 36.38 32.44 1wfe s VAL 13 CO 0.02 0.52 0.14 -0.69 0.00 0.00 0.00 175.10 175.08 1wfe s VAL 14 N -0.80 -0.19 0.49 2.92 1.01 -1.26 -5.15 120.40 117.42 1wfe s VAL 14 Ca 0.28 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.36 1wfe s VAL 14 Cb -0.19 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.71 1wfe s VAL 14 CO 0.17 -0.12 0.37 -0.54 0.00 0.00 0.00 175.10 174.99 1wfe s LYS 15 N 2.22 2.33 -0.06 2.72 1.02 -1.26 -5.11 119.74 121.60 1wfe s LYS 15 Ca 0.04 -1.84 -0.20 0.00 0.02 0.00 0.00 55.97 53.98 1wfe s LYS 15 Cb -0.15 -2.18 -0.05 0.00 -0.52 0.00 0.00 37.83 34.94 1wfe s LYS 15 CO -0.08 -0.43 0.57 -2.00 -0.92 0.00 0.00 175.35 172.48 1wfe s GLU 16 N -4.19 4.34 0.05 1.68 2.12 -1.26 -5.07 118.70 116.36 1wfe s GLU 16 Ca 0.40 0.65 0.07 0.00 0.36 0.00 0.00 54.97 56.45 1wfe s GLU 16 Cb -0.02 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 1wfe s GLU 16 CO 0.24 0.23 -0.20 1.03 -0.54 0.00 0.00 175.26 176.02 1wfe s ARG 17 N 0.30 1.34 -0.01 4.30 0.52 -1.26 -5.11 118.95 119.04 1wfe s ARG 17 Ca 0.30 -0.94 -0.30 0.00 -0.52 0.00 0.00 55.73 54.27 1wfe s ARG 17 Cb -0.17 -1.46 -0.06 0.00 0.52 0.00 0.00 34.95 33.79 1wfe s ARG 17 CO 0.15 0.37 1.46 -1.25 0.02 0.00 0.00 175.30 176.04 1wfe s PRO 18 N -1.22 4.26 -0.03 3.54 0.04 -1.26 -4.95 135.00 135.37 1wfe s PRO 18 Ca 0.07 2.02 -0.19 0.00 0.04 0.00 0.00 61.00 62.94 1wfe s PRO 18 Cb -0.09 -3.64 -0.13 0.00 0.04 0.00 0.00 34.50 30.69 1wfe s PRO 18 CO 0.02 -0.64 0.84 0.87 0.04 0.00 0.00 177.00 178.13 1wfe h LYS 19 N 8.12 -0.39 -6.23 4.56 1.57 -2.06 -3.45 116.57 118.70 1wfe h LYS 19 Ca -0.38 0.03 -0.60 0.00 -1.87 0.00 0.00 60.65 57.83 1wfe h LYS 19 Cb 1.18 0.09 0.16 0.00 0.08 0.00 0.00 32.23 33.74 1wfe h LYS 19 CO 0.92 -0.08 -0.71 0.25 -0.57 0.00 0.00 179.45 179.26 1wfe n THR 20 N -5.06 1.21 -4.04 -0.16 -2.24 -1.26 -5.00 114.28 97.73 1wfe n THR 20 Ca -0.08 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.10 1wfe n THR 20 Cb 0.25 -0.33 -0.11 0.00 -2.10 0.00 0.00 70.33 68.04 1wfe n THR 20 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1wfe s ASP 21 N -1.03 0.58 0.04 3.42 1.01 -1.26 -5.17 116.67 114.25 1wfe s ASP 21 Ca 0.62 -0.63 -0.18 0.00 0.71 0.00 0.00 52.55 53.08 1wfe s ASP 21 Cb -0.54 0.09 0.03 0.00 1.01 0.00 0.00 42.92 43.52 1wfe s ASP 21 CO 0.60 -0.32 0.40 -1.61 0.21 0.00 0.00 175.17 174.45 1wfe s GLU 22 N -2.02 0.89 -0.75 8.23 0.41 -1.26 -5.11 118.70 119.08 1wfe s GLU 22 Ca -0.08 -0.34 -0.13 0.00 -0.41 0.00 0.00 54.97 54.01 1wfe s GLU 22 Cb -0.06 0.40 0.20 0.00 -1.78 0.00 0.00 34.13 32.88 1wfe s GLU 22 CO -0.02 -0.30 0.67 -1.58 -0.49 0.00 0.00 175.26 173.55 1wfe s HIS 23 N -2.34 3.64 0.61 1.61 5.65 -1.26 -5.05 115.29 118.16 1wfe s HIS 23 Ca -0.06 -2.00 0.07 0.00 0.25 0.00 0.00 55.06 53.31 1wfe s HIS 23 Cb -0.01 -3.72 0.10 0.00 -1.18 0.00 0.00 32.58 27.77 1wfe s HIS 23 CO -0.01 -0.97 0.84 -1.59 -0.65 0.00 0.00 174.74 172.36 1wfe s LYS 24 N 0.35 2.14 -0.28 2.88 -2.85 -1.26 -5.11 119.74 115.60 1wfe s LYS 24 Ca 0.15 -1.51 -0.19 0.00 -1.00 0.00 0.00 55.97 53.42 1wfe s LYS 24 Cb -0.15 -2.57 0.12 0.00 -2.06 0.00 0.00 37.83 33.17 1wfe s LYS 24 CO -0.06 -1.01 0.90 -1.12 0.10 0.00 0.00 175.35 174.15 1wfe s SER 25 N -4.69 -0.62 0.03 0.03 0.01 -1.26 -4.04 113.70 103.17 1wfe s SER 25 Ca 0.63 1.05 0.02 0.00 1.31 0.00 0.00 55.95 58.96 1wfe s SER 25 Cb -0.06 1.19 -0.04 0.00 0.21 0.00 0.00 66.02 67.33 1wfe s SER 25 CO 0.40 -0.17 0.04 -0.31 0.41 0.00 0.00 173.24 173.61 1wfe s TYR 26 N 1.03 3.14 -0.04 2.43 1.51 -0.86 -4.85 117.35 119.71 1wfe s TYR 26 Ca -0.05 0.09 -0.20 0.00 -1.01 0.00 0.00 57.07 55.90 1wfe s TYR 26 Cb -0.04 -1.65 -0.05 0.00 -0.11 0.00 0.00 41.96 40.11 1wfe s TYR 26 CO -0.12 0.50 0.57 -1.12 -1.11 0.00 0.00 175.55 174.27 1wfe s SER 27 N -1.94 6.90 0.30 2.29 0.01 -1.26 -2.93 113.70 117.07 1wfe s SER 27 Ca 0.24 1.07 -0.30 0.00 1.31 0.00 0.00 55.95 58.28 1wfe s SER 27 Cb -0.12 -2.35 -0.12 0.00 0.21 0.00 0.00 66.02 63.64 1wfe s SER 27 CO 0.15 0.06 1.44 0.00 0.41 0.00 0.00 173.24 175.31 1wfe n SER 29 N 1.56 3.70 -4.71 0.00 7.64 -0.14 -4.89 113.62 116.79 1wfe n SER 29 Ca 0.07 -2.99 -0.35 0.00 1.01 0.00 0.00 58.87 56.61 1wfe n SER 29 Cb 0.35 -0.71 -0.08 0.00 -1.01 0.00 0.00 64.21 62.76 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 -2.25 3.37 -0.87 1.43 5.36 -1.26 -5.00 117.98 118.74 1wfe s PHE 30 Ca 0.39 0.26 -0.25 0.00 -0.96 0.00 0.00 56.93 56.36 1wfe s PHE 30 Cb 0.32 -2.13 -0.09 0.00 -0.34 0.00 0.00 43.02 40.79 1wfe s PHE 30 CO 0.08 0.27 2.12 0.21 -1.46 0.00 0.00 175.22 176.44 1wfe s LYS 31 N 0.31 2.16 0.00 10.12 2.20 -1.26 -2.55 119.74 130.72 1wfe s LYS 31 Ca 0.07 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.64 1wfe s LYS 31 Cb -0.11 -4.96 0.00 0.00 -1.51 0.00 0.00 37.83 31.24 1wfe s LYS 31 CO -0.01 -3.85 0.00 0.41 -0.36 0.00 0.00 175.35 171.54 1wfe n GLY 32 N 6.79 1.02 3.21 5.54 0.00 -1.26 -5.15 105.19 115.34 1wfe n GLY 32 Ca 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.32 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 3.27 1.99 -4.45 0.00 -2.24 -1.26 -4.71 114.28 106.89 1wfe n THR 34 Ca -0.16 -3.76 -0.33 0.00 -2.27 0.00 0.00 64.05 57.54 1wfe n THR 34 Cb 0.57 -0.19 -0.10 0.00 -2.10 0.00 0.00 70.33 68.50 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 -3.64 4.73 0.43 3.42 1.01 -1.26 -5.00 116.67 116.36 1wfe s ASP 35 Ca 0.41 -0.10 0.06 0.00 0.71 0.00 0.00 52.55 53.63 1wfe s ASP 35 Cb 0.38 -1.15 -0.07 0.00 1.01 0.00 0.00 42.92 43.10 1wfe s ASP 35 CO -0.01 0.30 0.01 0.68 0.21 0.00 0.00 175.17 176.36 1wfe s VAL 36 N -0.98 1.83 -0.06 -1.27 -7.23 -1.26 -2.52 120.40 108.91 1wfe s VAL 36 Ca 0.17 -1.99 -0.18 0.00 -1.81 0.00 0.00 61.98 58.16 1wfe s VAL 36 Cb -0.11 -2.83 0.04 0.00 0.56 0.00 0.00 36.38 34.04 1wfe s VAL 36 CO 0.07 0.00 0.41 -1.61 -0.31 0.00 0.00 175.10 173.66 1wfe s GLU 37 N -3.75 0.70 0.28 4.82 0.41 -1.15 -4.91 118.70 115.10 1wfe s GLU 37 Ca 0.29 0.11 0.02 0.00 -0.41 0.00 0.00 54.97 54.98 1wfe s GLU 37 Cb 0.08 0.32 0.67 0.00 -1.78 0.00 0.00 34.13 33.42 1wfe s GLU 37 CO 0.15 -0.18 1.70 -0.07 -0.49 0.00 0.00 175.26 176.38 1wfe h LEU 38 N 4.14 0.32-10.23 1.80 3.38 -1.93 -2.28 115.31 110.51 1wfe h LEU 38 Ca -0.28 0.14 -0.46 0.00 0.09 0.00 0.00 57.88 57.37 1wfe h LEU 38 Cb 1.17 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1wfe h LEU 38 CO 0.35 0.03 -0.37 0.68 0.09 0.00 0.00 178.44 179.22 1wfe s VAL 39 N -5.92 3.38 -0.35 1.22 -7.23 -1.26 -4.29 120.40 105.96 1wfe s VAL 39 Ca -0.12 -1.19 -0.06 0.00 -1.81 0.00 0.00 61.98 58.80 1wfe s VAL 39 Cb 0.24 -3.17 0.05 0.00 0.56 0.00 0.00 36.38 34.06 1wfe s VAL 39 CO 0.78 -0.10 0.12 0.00 -0.31 0.00 0.00 175.10 175.58 1wfe s ALA 40 N -2.32 3.06 -0.94 1.32 0.00 -1.26 -4.55 121.76 117.07 1wfe s ALA 40 Ca 0.46 -1.82 -0.22 0.00 0.00 0.00 0.00 51.96 50.38 1wfe s ALA 40 Cb -0.07 -2.29 0.07 0.00 0.00 0.00 0.00 23.12 20.84 1wfe s ALA 40 CO 0.29 -1.38 1.31 0.08 0.00 0.00 0.00 175.76 176.06 1wfe s VAL 41 N 1.38 4.15 0.19 0.00 1.01 -1.21 -4.91 120.40 121.01 1wfe s VAL 41 Ca -0.01 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 60.88 1wfe s VAL 41 Cb -0.20 -4.94 -0.08 0.00 0.00 0.00 0.00 36.38 31.15 1wfe s VAL 41 CO 0.02 -1.78 0.78 -0.63 0.00 0.00 0.00 175.10 173.49 1wfe s ILE 42 N 4.36 4.39 -0.16 2.22 -1.09 -1.26 -0.13 121.20 129.53 1wfe s ILE 42 Ca 0.40 1.63 -0.20 0.00 -2.23 0.00 0.00 60.65 60.25 1wfe s ILE 42 Cb -0.03 -4.07 -0.03 0.00 -1.58 0.00 0.00 42.46 36.75 1wfe s ILE 42 CO -0.06 0.42 0.57 0.00 -1.23 0.00 0.00 174.94 174.64 1wfe n PRO 44 N 4.40 0.49 -0.00 0.00 -0.04 -1.26 0.51 135.00 139.10 1wfe n PRO 44 Ca -0.04 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.40 1wfe n PRO 44 Cb 0.51 -1.17 -0.01 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.67 0.00 0.82 0.54 4.02 -1.26 -4.77 117.16 115.84 1wfe n TYR 45 Ca 0.04 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.05 1wfe n TYR 45 Cb 0.02 -0.12 0.20 0.00 -0.02 0.00 0.00 39.34 39.42 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 -1.74 -6.06 -4.45 0.00 1.02 0.18 -4.97 120.64 104.64 1wfe n GLU 47 Ca 0.04 0.80 -0.21 0.00 -0.02 0.00 0.00 57.16 57.77 1wfe n GLU 47 Cb 0.38 -5.65 -0.14 0.00 -0.02 0.00 0.00 31.44 26.01 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 -5.24 1.05 -0.02 3.49 1.02 -1.25 -4.78 119.74 114.02 1wfe s LYS 48 Ca 0.02 -0.77 -0.25 0.00 0.02 0.00 0.00 55.97 54.98 1wfe s LYS 48 Cb -0.00 -1.08 -0.04 0.00 -0.52 0.00 0.00 37.83 36.19 1wfe s LYS 48 CO 0.68 0.27 0.77 0.54 -0.92 0.00 0.00 175.35 176.70 1wfe s ASN 49 N -1.06 7.12 0.33 2.83 4.22 -1.26 -0.67 114.94 126.46 1wfe s ASN 49 Ca 0.03 1.35 0.04 0.00 -2.14 0.00 0.00 52.86 52.14 1wfe s ASN 49 Cb -0.08 -2.46 -0.03 0.00 1.28 0.00 0.00 41.25 39.96 1wfe s ASN 49 CO 0.01 -0.11 0.17 -0.36 -2.04 0.00 0.00 177.10 174.77 1wfe s PHE 50 N 0.60 1.67 0.11 1.54 0.08 0.81 -0.96 117.98 121.83 1wfe s PHE 50 Ca 0.41 -1.39 -0.10 0.00 0.12 0.00 0.00 56.93 55.97 1wfe s PHE 50 Cb -0.19 -0.91 -0.06 0.00 -0.57 0.00 0.00 43.02 41.29 1wfe s PHE 50 CO 0.21 -0.52 0.44 0.00 -0.10 0.00 0.00 175.22 175.26 1wfe n LEU 52 N 0.69 0.22 -0.33 0.00 7.99 -1.26 0.24 117.00 124.56 1wfe n LEU 52 Ca -0.06 1.50 -0.04 0.00 -0.01 0.00 0.00 56.01 57.40 1wfe n LEU 52 Cb 0.52 -0.69 0.08 0.00 -0.11 0.00 0.00 43.42 43.22 1wfe n LEU 52 CO 0.43 -1.64 1.15 0.03 -1.51 0.00 0.00 177.39 175.84 1wfe h ARG 53 N 0.00 1.25 -0.73 3.23 2.47 -2.00 -2.90 114.38 115.69 1wfe h ARG 53 Ca 0.71 -0.16 -0.51 0.00 -1.26 0.00 0.00 59.98 58.76 1wfe h ARG 53 Cb 1.82 -0.24 -0.33 0.00 -1.65 0.00 0.00 29.97 29.57 1wfe h ARG 53 CO -0.73 0.93 -0.27 0.72 0.56 0.00 0.00 179.97 181.19 1wfe n HIS 54 N -4.32 2.54 0.11 3.04 8.25 0.67 -4.67 115.22 120.84 1wfe n HIS 54 Ca 0.09 -2.31 -0.19 0.00 -0.26 0.00 0.00 57.72 55.05 1wfe n HIS 54 Cb 0.12 -0.65 -0.12 0.00 1.12 0.00 0.00 29.99 30.46 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 1.92 0.42 -6.76 -0.41 0.11 -0.11 -3.38 114.38 106.17 1wfe h ARG 55 Ca 0.40 -0.63 -0.47 0.00 0.10 0.00 0.00 59.98 59.38 1wfe h ARG 55 Cb 1.36 0.22 0.23 0.00 1.11 0.00 0.00 29.97 32.89 1wfe h ARG 55 CO 0.90 1.28 -0.84 1.58 0.10 0.00 0.00 179.97 182.99 1wfe n HIS 56 N -3.66 -1.37 -0.02 4.08 -0.00 -1.26 -4.91 115.22 108.09 1wfe n HIS 56 Ca -0.11 0.12 -0.16 0.00 0.46 0.00 0.00 57.72 58.03 1wfe n HIS 56 Cb 1.00 -1.63 -0.13 0.00 -0.12 0.00 0.00 29.99 29.11 1wfe n HIS 56 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 1wfe h GLN 57 N -2.07 0.16 -0.87 1.57 4.20 -1.99 -3.25 115.11 112.86 1wfe h GLN 57 Ca -0.53 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 57.95 1wfe h GLN 57 Cb 1.34 0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.20 1wfe h GLN 57 CO 0.39 1.06 0.00 0.43 -0.67 0.00 0.00 178.83 180.05 1wfe n SER 58 N -4.41 1.13 -0.07 1.46 7.64 -1.26 -2.15 113.62 115.95 1wfe n SER 58 Ca -0.11 -2.04 -0.10 0.00 1.01 0.00 0.00 58.87 57.62 1wfe n SER 58 Cb 0.61 -0.45 -0.08 0.00 -1.01 0.00 0.00 64.21 63.28 1wfe n SER 58 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1wfe n ASP 59 N -0.02 2.65 -1.85 6.43 9.92 -1.23 -4.57 116.55 127.89 1wfe n ASP 59 Ca 0.01 -0.07 -0.16 0.00 -0.53 0.00 0.00 54.79 54.04 1wfe n ASP 59 Cb 0.27 -0.06 0.20 0.00 -0.64 0.00 0.00 41.12 40.88 1wfe n ASP 59 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wfe n HIS 60 N -2.87 2.36 -4.10 1.24 1.44 -1.21 -4.93 115.22 107.15 1wfe n HIS 60 Ca -0.26 -1.72 -0.29 0.00 -2.01 0.00 0.00 57.72 53.44 1wfe n HIS 60 Cb 0.81 -0.78 -0.05 0.00 0.12 0.00 0.00 29.99 30.10 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 -1.07 -0.28 -4.51 4.39 2.03 -1.24 -4.74 116.55 111.13 1wfe n ASP 61 Ca 0.50 -1.09 -0.57 0.00 0.52 0.00 0.00 54.79 54.14 1wfe n ASP 61 Cb 1.44 -2.56 -0.07 0.00 -0.72 0.00 0.00 41.12 39.21 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 3.18 0.00 -0.94 0.00 4.11 -1.92 -3.16 114.58 115.86 1wfe h GLU 63 Ca -0.50 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.81 1wfe h GLU 63 Cb 1.41 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.59 1wfe h GLU 63 CO 0.67 0.36 0.15 1.63 0.07 0.00 0.00 179.01 181.89 1wfe n LYS 64 N -3.24 1.83 -3.88 1.06 4.76 -1.26 -4.89 118.16 112.54 1wfe n LYS 64 Ca 0.02 -1.13 -0.21 0.00 -2.87 0.00 0.00 58.31 54.12 1wfe n LYS 64 Cb 0.63 -1.57 -0.02 0.00 -1.84 0.00 0.00 35.03 32.23 1wfe n LYS 64 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1wfe s LEU 65 N -1.15 4.16 -0.48 -0.35 1.43 -1.19 -5.00 118.68 116.11 1wfe s LEU 65 Ca 0.21 -0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1wfe s LEU 65 Cb 0.17 -2.75 0.22 0.00 0.03 0.00 0.00 46.19 43.86 1wfe s LEU 65 CO 0.05 -0.15 2.26 -0.62 0.23 0.00 0.00 176.35 178.12 1wfe n GLU 66 N -1.43 2.24 -4.07 1.70 -0.58 -1.26 -4.93 120.64 112.31 1wfe n GLU 66 Ca -0.07 -2.31 -0.32 0.00 -0.42 0.00 0.00 57.16 54.03 1wfe n GLU 66 Cb 0.57 -1.97 -0.07 0.00 -0.57 0.00 0.00 31.44 29.41 1wfe n GLU 66 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1wfe s VAL 67 N -3.01 4.77 -0.63 2.62 1.01 -1.26 -5.01 120.40 118.89 1wfe s VAL 67 Ca 0.48 -0.45 -0.33 0.00 0.00 0.00 0.00 61.98 61.68 1wfe s VAL 67 Cb 0.36 -3.21 -0.15 0.00 0.00 0.00 0.00 36.38 33.37 1wfe s VAL 67 CO -0.11 0.30 2.42 0.00 0.00 0.00 0.00 175.10 177.71 1wfe n ALA 68 N 1.01 0.62 -2.73 5.51 0.00 -1.26 -4.91 120.51 118.76 1wfe n ALA 68 Ca -0.12 -0.31 -0.33 0.00 0.00 0.00 0.00 53.44 52.68 1wfe n ALA 68 Cb 0.52 -2.54 -0.13 0.00 0.00 0.00 0.00 19.45 17.31 1wfe n ALA 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1wfe s LYS 69 N 7.66 2.96 0.00 0.00 -2.85 -1.26 -4.99 119.74 121.26 1wfe s LYS 69 Ca 1.18 -0.63 0.04 0.00 -1.00 0.00 0.00 55.97 55.56 1wfe s LYS 69 Cb -0.93 -2.57 0.23 0.00 -2.06 0.00 0.00 37.83 32.50 1wfe s LYS 69 CO 0.46 0.48 0.70 -0.35 0.10 0.00 0.00 175.35 176.73 1wfe n PRO 70 N 2.76 0.49 -3.42 1.78 -0.04 -1.26 -4.39 135.00 130.91 1wfe n PRO 70 Ca -0.18 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.84 1wfe n PRO 70 Cb 0.53 -1.12 -0.04 0.00 -0.04 0.00 0.00 33.50 32.83 1wfe n PRO 70 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wfe s ARG 71 N -2.00 3.39 -0.24 0.54 0.52 -1.26 -5.03 118.95 114.86 1wfe s ARG 71 Ca 0.06 -2.53 -0.41 0.00 -0.52 0.00 0.00 55.73 52.33 1wfe s ARG 71 Cb 0.03 -4.27 -0.17 0.00 0.52 0.00 0.00 34.95 31.06 1wfe s ARG 71 CO 0.04 -1.26 1.62 0.00 0.02 0.00 0.00 175.30 175.72 1wfe n MET 72 N 3.77 0.90 -3.87 3.54 0.00 -1.26 -4.91 117.12 115.28 1wfe n MET 72 Ca 0.13 0.33 -0.29 0.00 0.00 0.00 0.00 57.70 57.87 1wfe n MET 72 Cb 0.44 -1.96 -0.13 0.00 0.00 0.00 0.00 33.22 31.57 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 2.77 3.26 -0.27 3.17 0.00 -1.26 -4.90 121.76 124.54 1wfe s ALA 73 Ca 0.97 -3.36 0.16 0.00 0.00 0.00 0.00 51.96 49.73 1wfe s ALA 73 Cb -1.14 -2.10 0.49 0.00 0.00 0.00 0.00 23.12 20.37 1wfe s ALA 73 CO 0.65 -2.05 1.15 0.00 0.00 0.00 0.00 175.76 175.50 1wfe n ALA 74 N 2.73 3.58 -2.35 0.00 0.00 -1.26 -5.08 120.51 118.13 1wfe n ALA 74 Ca 0.12 -3.17 -0.19 0.00 0.00 0.00 0.00 53.44 50.20 1wfe n ALA 74 Cb 0.34 -0.64 -0.10 0.00 0.00 0.00 0.00 19.45 19.05 1wfe n ALA 74 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wfe s THR 75 N -4.04 0.54 0.03 0.00 -4.23 -1.26 -5.17 115.64 101.50 1wfe s THR 75 Ca 0.37 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.95 1wfe s THR 75 Cb 0.36 -2.58 -0.02 0.00 1.34 0.00 0.00 72.50 71.60 1wfe s THR 75 CO -0.01 0.00 -0.20 -1.58 -0.54 0.00 0.00 174.62 172.29 1wfe s GLN 76 N -3.91 1.42 0.17 3.99 0.74 -1.26 -5.15 119.66 115.66 1wfe s GLN 76 Ca 0.36 -0.87 0.09 0.00 0.05 0.00 0.00 55.36 54.98 1wfe s GLN 76 Cb 0.06 -1.48 -0.04 0.00 1.10 0.00 0.00 33.01 32.65 1wfe s GLN 76 CO 0.15 0.39 -0.18 0.21 -0.55 0.00 0.00 175.29 175.30 1wfe s LYS 77 N -0.99 1.31 0.21 1.67 2.20 -1.26 -5.10 119.74 117.78 1wfe s LYS 77 Ca 0.07 -1.44 -0.32 0.00 -0.36 0.00 0.00 55.97 53.93 1wfe s LYS 77 Cb -0.08 -1.37 -0.15 0.00 -1.51 0.00 0.00 37.83 34.72 1wfe s LYS 77 CO 0.01 0.28 1.17 -0.11 -0.36 0.00 0.00 175.35 176.34 1wfe n LEU 78 N 0.22 1.83 0.13 5.43 0.00 -1.26 -4.93 117.00 118.42 1wfe n LEU 78 Ca -0.13 1.15 -0.06 0.00 0.00 0.00 0.00 56.01 56.97 1wfe n LEU 78 Cb 0.57 -1.26 -0.03 0.00 0.00 0.00 0.00 43.42 42.70 1wfe n LEU 78 CO 0.30 -1.19 0.19 0.58 0.00 0.00 0.00 177.39 177.26 1wfe h VAL 79 N 2.58 0.00 -3.60 1.96 2.07 -2.06 -3.39 116.25 113.81 1wfe h VAL 79 Ca -0.43 -0.53 -0.79 0.00 0.82 0.00 0.00 66.70 65.78 1wfe h VAL 79 Cb 1.33 0.00 -0.28 0.00 -1.52 0.00 0.00 31.29 30.82 1wfe h VAL 79 CO 0.69 0.00 0.34 -0.60 0.02 0.00 0.00 177.57 178.02 1wfe s ARG 80 N -2.88 4.02 0.87 1.57 3.52 -1.26 -5.05 118.95 119.73 1wfe s ARG 80 Ca -0.06 -3.07 -0.16 0.00 -0.13 0.00 0.00 55.73 52.31 1wfe s ARG 80 Cb 0.01 -4.49 -0.11 0.00 -1.56 0.00 0.00 34.95 28.80 1wfe s ARG 80 CO 0.18 -1.25 -0.34 -1.13 -0.81 0.00 0.00 175.30 171.95 1wfe n SER 81 N 2.93 -4.42 -2.96 -2.12 3.41 -1.26 -5.00 113.62 104.20 1wfe n SER 81 Ca 0.22 0.34 -0.05 0.00 -0.26 0.00 0.00 58.87 59.11 1wfe n SER 81 Cb 0.41 -0.90 0.02 0.00 -0.26 0.00 0.00 64.21 63.48 1wfe n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfe n GLY 82 N 2.79 0.81 0.00 5.00 0.00 -1.26 -5.00 105.19 107.53 1wfe n GLY 82 Ca 0.03 -1.18 0.03 0.00 0.00 0.00 0.00 46.02 44.89 1wfe n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfe n PRO 83 N -0.61 0.49 -2.67 1.61 -0.04 -1.26 -4.72 135.00 127.81 1wfe n PRO 83 Ca -0.05 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.98 1wfe n PRO 83 Cb 0.55 -1.17 -0.02 0.00 -0.04 0.00 0.00 33.50 32.82 1wfe n PRO 83 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfe s SER 84 N -1.68 6.91 0.34 3.54 0.15 -1.26 -4.91 113.70 116.79 1wfe s SER 84 Ca 0.08 1.02 0.12 0.00 0.70 0.00 0.00 55.95 57.87 1wfe s SER 84 Cb 0.04 -2.53 1.05 0.00 -1.71 0.00 0.00 66.02 62.86 1wfe s SER 84 CO 0.06 -0.85 1.59 0.28 1.20 0.00 0.00 173.24 175.52 1wfe h SER 85 N 8.07 0.01 0.00 5.45 0.02 -2.06 -3.53 113.55 121.51 1wfe h SER 85 Ca -0.21 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1wfe h SER 85 Cb 1.06 0.34 0.00 0.00 0.14 0.00 0.00 62.40 63.94 1wfe h SER 85 CO 1.02 -0.36 0.00 0.61 -1.14 0.00 0.00 176.83 176.96