#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 -1.58 -4.70 1.61 2.88 -1.26 -4.80 113.62 105.78 1wfe n SER 2 Ca 0.00 -1.20 -0.43 0.00 -1.33 0.00 0.00 58.87 55.91 1wfe n SER 2 Cb 0.00 -1.88 -0.02 0.00 -0.75 0.00 0.00 64.21 61.56 1wfe n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wfe n SER 3 N -2.59 3.01 -4.20 -3.46 2.88 -1.26 -4.80 113.62 103.20 1wfe n SER 3 Ca 0.02 1.16 -0.54 0.00 -1.33 0.00 0.00 58.87 58.18 1wfe n SER 3 Cb 0.51 -1.48 -0.07 0.00 -0.75 0.00 0.00 64.21 62.42 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 1.75 -0.43 3.44 0.46 0.00 -1.26 -4.96 105.19 104.19 1wfe n GLY 4 Ca 0.09 0.66 -0.05 0.00 0.00 0.00 0.00 46.02 46.72 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 -0.11 -0.65 -0.07 1.61 0.15 -1.26 -5.16 113.70 108.20 1wfe s SER 5 Ca 0.82 1.25 -0.14 0.00 0.70 0.00 0.00 55.95 58.58 1wfe s SER 5 Cb -1.15 1.75 0.03 0.00 -1.71 0.00 0.00 66.02 64.94 1wfe s SER 5 CO 0.53 -0.23 0.35 -0.94 1.20 0.00 0.00 173.24 174.15 1wfe s SER 6 N 2.70 -0.29 -0.37 5.45 1.04 -1.26 -5.10 113.70 115.87 1wfe s SER 6 Ca -0.04 0.41 -0.34 0.00 0.48 0.00 0.00 55.95 56.46 1wfe s SER 6 Cb -0.12 0.52 -0.15 0.00 0.10 0.00 0.00 66.02 66.38 1wfe s SER 6 CO -0.16 -0.30 1.22 0.61 0.98 0.00 0.00 173.24 175.59 1wfe n GLY 7 N 2.02 0.12 3.55 7.32 0.00 -1.26 -4.71 105.19 112.23 1wfe n GLY 7 Ca -0.17 0.75 -0.36 0.00 0.00 0.00 0.00 46.02 46.23 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 9.33 0.84 0.44 0.00 0.01 -1.26 -5.15 113.70 117.91 1wfe s SER 9 Ca 0.76 0.10 -0.21 0.00 1.31 0.00 0.00 55.95 57.91 1wfe s SER 9 Cb -0.13 -0.08 -0.10 0.00 0.21 0.00 0.00 66.02 65.92 1wfe s SER 9 CO 0.20 -0.22 0.98 -0.70 0.41 0.00 0.00 173.24 173.91 1wfe s GLU 10 N 1.93 4.13 -0.27 12.44 -6.30 -1.26 -5.06 118.70 124.31 1wfe s GLU 10 Ca 0.01 1.23 -0.01 0.00 -2.50 0.00 0.00 54.97 53.71 1wfe s GLU 10 Cb -0.12 -2.23 0.15 0.00 0.00 0.00 0.00 34.13 31.93 1wfe s GLU 10 CO -0.03 -0.13 0.41 0.08 0.02 0.00 0.00 175.26 175.61 1wfe s VAL 11 N -2.05 -0.66 0.04 3.70 1.01 -1.26 -5.15 120.40 116.04 1wfe s VAL 11 Ca 0.62 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.48 1wfe s VAL 11 Cb -0.13 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 1wfe s VAL 11 CO 0.17 -0.17 -0.07 0.54 0.00 0.00 0.00 175.10 175.57 1wfe s ASN 12 N 2.58 0.82 0.06 3.32 2.20 -1.26 -5.16 114.94 117.50 1wfe s ASN 12 Ca 0.12 -0.56 0.07 0.00 -0.94 0.00 0.00 52.86 51.55 1wfe s ASN 12 Cb -0.14 0.04 -0.03 0.00 -2.00 0.00 0.00 41.25 39.12 1wfe s ASN 12 CO -0.22 -0.22 -0.20 0.54 -2.94 0.00 0.00 177.10 174.07 1wfe s VAL 13 N -1.47 1.58 -0.72 3.54 0.11 -1.26 -5.10 120.40 117.08 1wfe s VAL 13 Ca -0.10 -1.29 -0.03 0.00 -2.93 0.00 0.00 61.98 57.63 1wfe s VAL 13 Cb -0.09 -1.41 0.18 0.00 -1.53 0.00 0.00 36.38 33.53 1wfe s VAL 13 CO 0.00 0.07 0.57 0.68 -3.33 0.00 0.00 175.10 173.09 1wfe s VAL 14 N -0.95 4.06 -0.35 2.04 -7.23 -1.26 -4.88 120.40 111.83 1wfe s VAL 14 Ca 0.06 -3.21 0.06 0.00 -1.81 0.00 0.00 61.98 57.08 1wfe s VAL 14 Cb -0.09 -3.59 0.47 0.00 0.56 0.00 0.00 36.38 33.72 1wfe s VAL 14 CO 0.03 -0.96 1.41 0.29 -0.31 0.00 0.00 175.10 175.56 1wfe n LYS 15 N 3.16 2.84 -1.02 4.82 5.02 -1.26 -5.04 118.16 126.68 1wfe n LYS 15 Ca 0.13 -3.70 -0.48 0.00 -2.02 0.00 0.00 58.31 52.23 1wfe n LYS 15 Cb 0.38 -2.11 -0.09 0.00 -0.02 0.00 0.00 35.03 33.19 1wfe n LYS 15 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1wfe n GLU 16 N -0.89 0.00 -1.59 1.97 -0.58 -1.26 -4.77 120.64 113.53 1wfe n GLU 16 Ca 0.43 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.75 1wfe n GLU 16 Cb 0.91 -1.18 0.01 0.00 -0.57 0.00 0.00 31.44 30.61 1wfe n GLU 16 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1wfe n ARG 17 N 5.69 1.23 -1.14 3.49 -4.01 -1.26 -4.96 116.66 115.70 1wfe n ARG 17 Ca 0.42 0.44 -0.29 0.00 -1.04 0.00 0.00 57.85 57.38 1wfe n ARG 17 Cb -0.03 -1.97 0.19 0.00 -3.04 0.00 0.00 32.46 27.61 1wfe n ARG 17 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 1wfe s PRO 18 N -1.96 0.05 -0.09 2.89 0.04 -1.26 -5.07 135.00 129.60 1wfe s PRO 18 Ca 0.63 0.40 0.03 0.00 0.04 0.00 0.00 61.00 62.10 1wfe s PRO 18 Cb -0.57 -1.70 0.01 0.00 0.04 0.00 0.00 34.50 32.28 1wfe s PRO 18 CO 0.57 -2.96 -0.16 -1.59 0.04 0.00 0.00 177.00 172.89 1wfe s LYS 19 N -5.03 2.18 -0.50 4.56 -2.85 -1.26 -5.08 119.74 111.76 1wfe s LYS 19 Ca 0.66 -0.57 0.04 0.00 -1.00 0.00 0.00 55.97 55.10 1wfe s LYS 19 Cb -0.17 -1.76 0.16 0.00 -2.06 0.00 0.00 37.83 33.99 1wfe s LYS 19 CO 0.57 0.04 0.35 0.95 0.10 0.00 0.00 175.35 177.37 1wfe s THR 20 N 0.67 1.39 -0.64 3.79 -4.23 -1.26 -5.01 115.64 110.35 1wfe s THR 20 Ca -0.13 -3.07 0.06 0.00 -1.18 0.00 0.00 61.69 57.36 1wfe s THR 20 Cb -0.16 -1.94 0.22 0.00 1.34 0.00 0.00 72.50 71.95 1wfe s THR 20 CO 0.04 -1.06 0.63 -0.90 -0.54 0.00 0.00 174.62 172.78 1wfe n ASP 21 N 2.83 3.13 -3.62 3.99 5.68 -1.26 -5.04 116.55 122.26 1wfe n ASP 21 Ca 0.20 -3.28 -0.07 0.00 -0.50 0.00 0.00 54.79 51.15 1wfe n ASP 21 Cb 0.40 -0.70 -0.06 0.00 -1.14 0.00 0.00 41.12 39.63 1wfe n ASP 21 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 1wfe s GLU 22 N -1.94 0.33 -0.22 0.11 -1.05 -1.26 -5.16 118.70 109.52 1wfe s GLU 22 Ca 0.34 0.18 -0.05 0.00 -0.15 0.00 0.00 54.97 55.29 1wfe s GLU 22 Cb 0.07 0.16 0.11 0.00 -0.44 0.00 0.00 34.13 34.03 1wfe s GLU 22 CO -0.08 -0.08 0.40 -3.38 0.95 0.00 0.00 175.26 173.06 1wfe s HIS 23 N -0.63 -0.82 0.35 4.83 -3.43 -1.26 -5.14 115.29 109.18 1wfe s HIS 23 Ca 0.04 1.25 -0.28 0.00 -0.80 0.00 0.00 55.06 55.26 1wfe s HIS 23 Cb -0.02 0.19 -0.10 0.00 -1.43 0.00 0.00 32.58 31.21 1wfe s HIS 23 CO -0.06 -0.58 1.37 0.15 -2.00 0.00 0.00 174.74 173.63 1wfe s LYS 24 N 2.59 4.26 -0.05 -0.38 -0.14 -1.26 -5.02 119.74 119.73 1wfe s LYS 24 Ca 0.05 2.34 -0.02 0.00 -1.36 0.00 0.00 55.97 56.98 1wfe s LYS 24 Cb -0.13 -3.03 0.04 0.00 -1.68 0.00 0.00 37.83 33.03 1wfe s LYS 24 CO -0.14 -0.32 0.10 -1.54 -0.76 0.00 0.00 175.35 172.69 1wfe s SER 25 N -0.37 0.50 -0.22 2.83 1.04 -1.26 -4.09 113.70 112.13 1wfe s SER 25 Ca 0.50 0.19 -0.07 0.00 0.48 0.00 0.00 55.95 57.06 1wfe s SER 25 Cb -0.42 0.07 -0.03 0.00 0.10 0.00 0.00 66.02 65.73 1wfe s SER 25 CO 0.57 -0.20 0.07 -0.31 0.98 0.00 0.00 173.24 174.34 1wfe s TYR 26 N 1.73 3.14 0.09 5.02 2.02 -0.91 -4.88 117.35 123.55 1wfe s TYR 26 Ca -0.02 -0.22 -0.31 0.00 -0.37 0.00 0.00 57.07 56.15 1wfe s TYR 26 Cb -0.12 -2.17 -0.07 0.00 -0.40 0.00 0.00 41.96 39.19 1wfe s TYR 26 CO -0.04 -0.16 1.35 -1.54 -1.57 0.00 0.00 175.55 173.58 1wfe s SER 27 N 1.14 6.88 0.38 2.29 1.04 -1.26 -3.11 113.70 121.05 1wfe s SER 27 Ca 0.04 2.23 -0.25 0.00 0.48 0.00 0.00 55.95 58.45 1wfe s SER 27 Cb -0.14 -2.58 -0.12 0.00 0.10 0.00 0.00 66.02 63.28 1wfe s SER 27 CO 0.03 -0.62 0.90 0.00 0.98 0.00 0.00 173.24 174.54 1wfe n SER 29 N 0.89 2.96 -4.33 0.00 7.64 0.16 -4.80 113.62 116.15 1wfe n SER 29 Ca 0.10 -2.37 -0.34 0.00 1.01 0.00 0.00 58.87 57.26 1wfe n SER 29 Cb 0.37 -0.58 -0.14 0.00 -1.01 0.00 0.00 64.21 62.85 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 -0.99 2.93 -1.20 1.43 5.36 -1.26 -5.01 117.98 119.24 1wfe s PHE 30 Ca 0.15 -0.86 -0.21 0.00 -0.96 0.00 0.00 56.93 55.05 1wfe s PHE 30 Cb 0.12 -2.03 -0.02 0.00 -0.34 0.00 0.00 43.02 40.75 1wfe s PHE 30 CO 0.03 -0.45 1.84 0.21 -1.46 0.00 0.00 175.22 175.39 1wfe s LYS 31 N 1.15 3.10 0.00 10.12 2.20 -1.26 -2.86 119.74 132.19 1wfe s LYS 31 Ca 0.02 -1.40 0.00 0.00 -0.36 0.00 0.00 55.97 54.23 1wfe s LYS 31 Cb -0.14 -5.34 0.00 0.00 -1.51 0.00 0.00 37.83 30.83 1wfe s LYS 31 CO -0.01 -3.22 0.00 0.41 -0.36 0.00 0.00 175.35 172.16 1wfe n GLY 32 N 5.80 0.59 0.00 5.54 0.00 -1.26 -5.04 105.19 110.82 1wfe n GLY 32 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -1.46 -1.07 -4.22 0.00 -2.24 -1.26 -4.90 114.28 99.14 1wfe n THR 34 Ca 0.00 -0.34 -0.18 0.00 -2.27 0.00 0.00 64.05 61.26 1wfe n THR 34 Cb 0.18 -0.96 -0.11 0.00 -2.10 0.00 0.00 70.33 67.33 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 -3.96 1.89 0.23 3.42 1.11 -1.26 -5.03 116.67 113.06 1wfe s ASP 35 Ca 0.14 -0.74 0.00 0.00 0.18 0.00 0.00 52.55 52.13 1wfe s ASP 35 Cb -0.08 -0.06 -0.05 0.00 1.07 0.00 0.00 42.92 43.80 1wfe s ASP 35 CO 0.62 -0.12 0.10 0.68 1.18 0.00 0.00 175.17 177.63 1wfe s VAL 36 N -1.81 0.37 0.05 -1.27 -7.23 -1.26 -0.24 120.40 108.99 1wfe s VAL 36 Ca 0.05 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.07 1wfe s VAL 36 Cb -0.07 -2.54 0.03 0.00 0.56 0.00 0.00 36.38 34.36 1wfe s VAL 36 CO 0.03 -0.05 0.34 -1.61 -0.31 0.00 0.00 175.10 173.50 1wfe s GLU 37 N -4.07 0.85 0.24 4.82 0.41 -1.18 -4.94 118.70 114.83 1wfe s GLU 37 Ca 0.37 -0.47 -0.07 0.00 -0.41 0.00 0.00 54.97 54.40 1wfe s GLU 37 Cb 0.07 0.37 0.27 0.00 -1.78 0.00 0.00 34.13 33.07 1wfe s GLU 37 CO 0.12 -0.28 1.88 -0.07 -0.49 0.00 0.00 175.26 176.42 1wfe h LEU 38 N 3.12 0.95-10.36 1.80 3.38 -1.93 -2.42 115.31 109.85 1wfe h LEU 38 Ca -0.32 -0.01 -0.44 0.00 0.09 0.00 0.00 57.88 57.21 1wfe h LEU 38 Cb 1.20 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.75 1wfe h LEU 38 CO 0.45 0.66 -0.30 0.68 0.09 0.00 0.00 178.44 180.02 1wfe s VAL 39 N -6.10 3.28 -0.49 1.22 -7.23 -1.26 -4.45 120.40 105.38 1wfe s VAL 39 Ca -0.13 -1.05 -0.06 0.00 -1.81 0.00 0.00 61.98 58.93 1wfe s VAL 39 Cb 0.17 -3.12 0.13 0.00 0.56 0.00 0.00 36.38 34.12 1wfe s VAL 39 CO 0.80 -0.05 0.33 0.00 -0.31 0.00 0.00 175.10 175.86 1wfe s ALA 40 N -2.31 3.37 -1.04 1.32 0.00 -1.26 -4.55 121.76 117.28 1wfe s ALA 40 Ca 0.51 -2.68 -0.23 0.00 0.00 0.00 0.00 51.96 49.57 1wfe s ALA 40 Cb -0.09 -2.68 0.05 0.00 0.00 0.00 0.00 23.12 20.40 1wfe s ALA 40 CO 0.32 -1.91 1.49 0.08 0.00 0.00 0.00 175.76 175.73 1wfe s VAL 41 N 1.02 3.93 0.33 0.00 1.01 -1.25 -4.94 120.40 120.50 1wfe s VAL 41 Ca 0.09 -0.85 -0.24 0.00 0.00 0.00 0.00 61.98 60.97 1wfe s VAL 41 Cb -0.23 -5.05 -0.10 0.00 0.00 0.00 0.00 36.38 31.00 1wfe s VAL 41 CO -0.03 -1.92 0.92 -0.63 0.00 0.00 0.00 175.10 173.43 1wfe s ILE 42 N 5.04 4.29 -0.21 2.22 -1.09 -1.26 -0.94 121.20 129.26 1wfe s ILE 42 Ca 0.47 1.69 -0.12 0.00 -2.23 0.00 0.00 60.65 60.46 1wfe s ILE 42 Cb 0.00 -3.91 -0.05 0.00 -1.58 0.00 0.00 42.46 36.92 1wfe s ILE 42 CO -0.08 0.06 0.23 0.00 -1.23 0.00 0.00 174.94 173.92 1wfe n PRO 44 N 4.09 0.49 -0.01 0.00 -0.04 -1.26 0.51 135.00 138.79 1wfe n PRO 44 Ca -0.13 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.30 1wfe n PRO 44 Cb 0.52 -1.20 -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 -0.70 0.00 1.09 0.54 4.02 -1.26 -4.75 117.16 116.11 1wfe n TYR 45 Ca 0.05 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.06 1wfe n TYR 45 Cb 0.02 -0.14 0.29 0.00 -0.02 0.00 0.00 39.34 39.49 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 -1.19 -5.67 -4.17 0.00 1.02 0.18 -4.96 120.64 105.85 1wfe n GLU 47 Ca 0.08 0.71 -0.17 0.00 -0.02 0.00 0.00 57.16 57.76 1wfe n GLU 47 Cb 0.34 -5.46 -0.12 0.00 -0.02 0.00 0.00 31.44 26.18 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 0.83 -0.16 3.49 1.02 -1.25 -4.80 119.74 113.07 1wfe s LYS 48 Ca 0.06 -1.02 -0.20 0.00 0.02 0.00 0.00 55.97 54.83 1wfe s LYS 48 Cb -0.03 -0.73 -0.03 0.00 -0.52 0.00 0.00 37.83 36.52 1wfe s LYS 48 CO 0.78 0.15 0.58 0.54 -0.92 0.00 0.00 175.35 176.48 1wfe s ASN 49 N -1.97 6.71 0.30 2.83 4.22 -1.26 -0.63 114.94 125.13 1wfe s ASN 49 Ca 0.00 0.85 0.04 0.00 -2.14 0.00 0.00 52.86 51.62 1wfe s ASN 49 Cb -0.08 -2.33 -0.06 0.00 1.28 0.00 0.00 41.25 40.06 1wfe s ASN 49 CO 0.02 -0.16 0.02 -0.36 -2.04 0.00 0.00 177.10 174.58 1wfe s PHE 50 N 1.36 1.90 0.30 1.54 0.40 -0.11 0.40 117.98 123.76 1wfe s PHE 50 Ca 0.28 -0.89 -0.22 0.00 -0.60 0.00 0.00 56.93 55.50 1wfe s PHE 50 Cb -0.16 -1.19 -0.09 0.00 0.51 0.00 0.00 43.02 42.09 1wfe s PHE 50 CO 0.11 0.06 0.85 0.00 0.70 0.00 0.00 175.22 176.94 1wfe n LEU 52 N 0.39 0.23 -0.24 0.00 7.99 -1.26 0.25 117.00 124.37 1wfe n LEU 52 Ca 0.01 1.38 -0.06 0.00 -0.01 0.00 0.00 56.01 57.33 1wfe n LEU 52 Cb 0.51 -0.65 0.04 0.00 -0.11 0.00 0.00 43.42 43.22 1wfe n LEU 52 CO 0.43 -1.52 1.07 0.03 -1.51 0.00 0.00 177.39 175.88 1wfe h ARG 53 N 0.00 0.93 -0.75 3.23 2.47 -2.00 -2.84 114.38 115.43 1wfe h ARG 53 Ca 0.67 -0.12 -0.48 0.00 -1.26 0.00 0.00 59.98 58.79 1wfe h ARG 53 Cb 1.73 -0.18 -0.28 0.00 -1.65 0.00 0.00 29.97 29.60 1wfe h ARG 53 CO -0.66 0.72 0.12 0.72 0.56 0.00 0.00 179.97 181.44 1wfe n HIS 54 N -4.50 2.48 -0.07 3.04 8.25 0.69 -4.64 115.22 120.47 1wfe n HIS 54 Ca 0.05 -2.27 -0.15 0.00 -0.26 0.00 0.00 57.72 55.09 1wfe n HIS 54 Cb 0.11 -0.82 -0.05 0.00 1.12 0.00 0.00 29.99 30.34 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 1.64 0.86 -7.25 -0.41 0.11 -0.32 -3.38 114.38 105.62 1wfe h ARG 55 Ca 0.44 -0.57 -0.49 0.00 0.10 0.00 0.00 59.98 59.47 1wfe h ARG 55 Cb 1.50 0.08 0.19 0.00 1.11 0.00 0.00 29.97 32.85 1wfe h ARG 55 CO 0.97 1.20 0.17 -1.58 0.10 0.00 0.00 179.97 180.83 1wfe s HIS 56 N -4.06 1.76 0.00 4.08 2.46 -1.26 -4.90 115.29 113.36 1wfe s HIS 56 Ca -0.11 1.46 0.00 0.00 0.47 0.00 0.00 55.06 56.89 1wfe s HIS 56 Cb 0.10 -3.20 0.00 0.00 -0.13 0.00 0.00 32.58 29.34 1wfe s HIS 56 CO 0.89 -2.99 0.49 1.04 -2.47 0.00 0.00 174.74 171.70 1wfe n GLN 57 N -4.33 0.00 -0.32 2.88 6.02 -1.26 -2.96 117.38 117.41 1wfe n GLN 57 Ca 0.08 0.25 0.21 0.00 -0.01 0.00 0.00 57.00 57.52 1wfe n GLN 57 Cb 0.54 -1.07 0.42 0.00 1.02 0.00 0.00 30.24 31.14 1wfe n GLN 57 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1wfe h SER 58 N 0.00 0.24 -0.58 1.08 0.02 -1.93 0.20 113.55 112.58 1wfe h SER 58 Ca 0.00 0.21 0.11 0.00 -0.84 0.00 0.00 61.79 61.27 1wfe h SER 58 Cb 0.00 0.23 -0.11 0.00 0.14 0.00 0.00 62.40 62.65 1wfe h SER 58 CO 0.00 -0.20 -0.21 0.44 -1.14 0.00 0.00 176.83 175.71 1wfe h ASP 59 N 0.22 -0.76 -0.76 3.07 3.32 -1.91 0.28 116.42 119.88 1wfe h ASP 59 Ca 0.68 0.19 -0.35 0.00 0.02 0.00 0.00 57.03 57.57 1wfe h ASP 59 Cb 1.54 0.44 -0.21 0.00 0.22 0.00 0.00 39.33 41.31 1wfe h ASP 59 CO -0.67 -0.24 0.44 0.00 -1.72 0.00 0.00 179.24 177.05 1wfe n HIS 60 N -5.43 2.38 -4.15 4.55 1.44 0.59 -4.90 115.22 109.71 1wfe n HIS 60 Ca 0.06 -1.43 -0.29 0.00 -2.01 0.00 0.00 57.72 54.05 1wfe n HIS 60 Cb 0.33 -0.76 -0.06 0.00 0.12 0.00 0.00 29.99 29.62 1wfe n HIS 60 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1wfe n ASP 61 N -0.61 0.17 -4.46 4.39 9.92 0.99 -4.62 116.55 122.32 1wfe n ASP 61 Ca 0.44 -1.16 -0.44 0.00 -0.53 0.00 0.00 54.79 53.10 1wfe n ASP 61 Cb 1.39 -2.24 -0.12 0.00 -0.64 0.00 0.00 41.12 39.50 1wfe n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wfe h GLU 63 N 12.64 0.22 -0.85 0.00 4.11 -1.86 0.10 114.58 128.94 1wfe h GLU 63 Ca -0.10 -0.01 0.20 0.00 0.07 0.00 0.00 59.36 59.52 1wfe h GLU 63 Cb 1.32 -0.05 -0.15 0.00 0.50 0.00 0.00 28.75 30.37 1wfe h GLU 63 CO 1.28 0.15 -0.03 0.87 0.07 0.00 0.00 179.01 181.35 1wfe h LYS 64 N 0.23 0.06 -5.98 1.06 1.79 -1.89 -3.42 116.57 108.41 1wfe h LYS 64 Ca 0.55 -0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 58.47 1wfe h LYS 64 Cb 1.10 -0.01 0.24 0.00 -1.58 0.00 0.00 32.23 31.98 1wfe h LYS 64 CO -0.64 0.04 -1.95 1.28 -1.08 0.00 0.00 179.45 177.11 1wfe n LEU 65 N -5.42 -5.76 -1.62 2.94 4.77 0.35 -4.71 117.00 107.55 1wfe n LEU 65 Ca 0.16 0.16 -0.04 0.00 -0.03 0.00 0.00 56.01 56.27 1wfe n LEU 65 Cb 0.55 -0.73 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 1wfe n LEU 65 CO -0.01 -5.71 1.11 1.21 -1.33 0.00 0.00 177.39 172.66 1wfe n GLU 66 N 2.49 1.23 -3.72 3.23 4.07 -1.26 -4.75 120.64 121.93 1wfe n GLU 66 Ca -0.02 -0.33 -0.12 0.00 -0.06 0.00 0.00 57.16 56.63 1wfe n GLU 66 Cb 0.58 -1.21 -0.11 0.00 -0.06 0.00 0.00 31.44 30.65 1wfe n GLU 66 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1wfe s VAL 67 N -0.17 -0.01 0.54 6.31 0.11 -1.26 -5.17 120.40 120.74 1wfe s VAL 67 Ca 0.12 0.04 0.08 0.00 -2.93 0.00 0.00 61.98 59.29 1wfe s VAL 67 Cb 0.07 -0.56 0.05 0.00 -1.53 0.00 0.00 36.38 34.41 1wfe s VAL 67 CO -0.00 0.01 0.59 0.00 -3.33 0.00 0.00 175.10 172.37 1wfe s ALA 68 N 0.63 4.54 -0.12 1.54 0.00 -1.26 -4.77 121.76 122.30 1wfe s ALA 68 Ca -0.03 -1.76 0.02 0.00 0.00 0.00 0.00 51.96 50.19 1wfe s ALA 68 Cb -0.05 -1.14 -0.00 0.00 0.00 0.00 0.00 23.12 21.92 1wfe s ALA 68 CO -0.04 -0.61 -0.19 -1.59 0.00 0.00 0.00 175.76 173.33 1wfe s LYS 69 N -4.45 3.16 -1.02 0.00 0.00 -1.26 -5.04 119.74 111.13 1wfe s LYS 69 Ca 0.49 -0.80 -0.23 0.00 0.00 0.00 0.00 55.97 55.44 1wfe s LYS 69 Cb -0.04 -2.47 -0.12 0.00 0.00 0.00 0.00 37.83 35.20 1wfe s LYS 69 CO 0.31 0.13 1.92 -0.35 0.00 0.00 0.00 175.35 177.36 1wfe n PRO 70 N 3.71 1.53 -3.71 1.78 -0.04 -1.26 -4.83 135.00 132.18 1wfe n PRO 70 Ca -0.19 -2.23 -0.13 0.00 -0.04 0.00 0.00 63.50 60.91 1wfe n PRO 70 Cb 0.52 -3.44 -0.09 0.00 -0.04 0.00 0.00 33.50 30.45 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 6.00 0.54 -0.29 0.54 0.52 -1.26 -5.16 118.95 119.85 1wfe s ARG 71 Ca 0.65 0.68 -0.22 0.00 -0.52 0.00 0.00 55.73 56.32 1wfe s ARG 71 Cb 0.05 0.25 0.14 0.00 0.52 0.00 0.00 34.95 35.90 1wfe s ARG 71 CO 0.14 -0.07 1.07 0.00 0.02 0.00 0.00 175.30 176.45 1wfe s MET 72 N 0.36 0.39 -0.35 3.54 0.23 -1.26 -5.11 119.30 117.10 1wfe s MET 72 Ca -0.01 0.53 -0.28 0.00 -1.03 0.00 0.00 55.69 54.91 1wfe s MET 72 Cb -0.04 0.15 -0.04 0.00 -1.53 0.00 0.00 34.83 33.38 1wfe s MET 72 CO -0.01 -0.06 2.06 0.00 -2.03 0.00 0.00 175.02 174.98 1wfe s ALA 73 N 0.62 2.54 0.72 3.16 0.00 -1.26 -4.95 121.76 122.59 1wfe s ALA 73 Ca -0.01 0.31 -0.15 0.00 0.00 0.00 0.00 51.96 52.11 1wfe s ALA 73 Cb -0.04 -4.12 0.04 0.00 0.00 0.00 0.00 23.12 18.99 1wfe s ALA 73 CO -0.11 -3.13 1.20 0.00 0.00 0.00 0.00 175.76 173.73 1wfe s ALA 74 N 8.51 2.14 -0.31 0.00 0.00 -1.26 -4.82 121.76 126.02 1wfe s ALA 74 Ca 0.89 0.88 -0.36 0.00 0.00 0.00 0.00 51.96 53.36 1wfe s ALA 74 Cb -0.24 -3.47 -0.12 0.00 0.00 0.00 0.00 23.12 19.29 1wfe s ALA 74 CO 0.31 -1.84 2.07 -2.37 0.00 0.00 0.00 175.76 173.94 1wfe n THR 75 N -2.67 0.25 -1.89 0.00 5.66 -1.26 -4.93 114.28 109.43 1wfe n THR 75 Ca 0.13 -0.20 -0.30 0.00 -3.05 0.00 0.00 64.05 60.64 1wfe n THR 75 Cb 0.50 -1.57 0.17 0.00 -1.55 0.00 0.00 70.33 67.89 1wfe n THR 75 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1wfe s GLN 76 N 5.50 0.82 -0.00 1.09 -0.21 -1.26 -5.11 119.66 120.48 1wfe s GLN 76 Ca 1.06 -0.30 -0.04 0.00 0.02 0.00 0.00 55.36 56.10 1wfe s GLN 76 Cb -0.89 -1.86 -0.00 0.00 1.00 0.00 0.00 33.01 31.26 1wfe s GLN 76 CO 0.53 -2.31 0.09 -1.59 -2.12 0.00 0.00 175.29 169.88 1wfe s LYS 77 N -5.81 0.34 0.07 2.91 0.00 -1.26 -5.16 119.74 110.83 1wfe s LYS 77 Ca 0.72 -0.31 0.03 0.00 0.00 0.00 0.00 55.97 56.41 1wfe s LYS 77 Cb -0.05 0.14 -0.04 0.00 0.00 0.00 0.00 37.83 37.88 1wfe s LYS 77 CO 0.52 -0.07 0.05 -1.17 0.00 0.00 0.00 175.35 174.68 1wfe s LEU 78 N -1.01 3.69 -0.01 2.77 2.96 -1.26 -5.12 118.68 120.69 1wfe s LEU 78 Ca -0.11 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 1wfe s LEU 78 Cb -0.06 -2.36 0.01 0.00 0.50 0.00 0.00 46.19 44.27 1wfe s LEU 78 CO 0.01 0.18 -0.01 0.68 -1.32 0.00 0.00 176.35 175.89 1wfe s VAL 79 N -1.34 0.10 -0.15 1.68 -7.23 -1.26 -5.15 120.40 107.05 1wfe s VAL 79 Ca 0.27 -0.01 -0.12 0.00 -1.81 0.00 0.00 61.98 60.31 1wfe s VAL 79 Cb -0.12 -0.12 0.04 0.00 0.56 0.00 0.00 36.38 36.74 1wfe s VAL 79 CO 0.20 0.05 0.39 -0.60 -0.31 0.00 0.00 175.10 174.83 1wfe s ARG 80 N 0.21 0.43 0.35 4.82 6.06 -1.26 -5.17 118.95 124.39 1wfe s ARG 80 Ca -0.02 0.59 0.09 0.00 -2.50 0.00 0.00 55.73 53.88 1wfe s ARG 80 Cb -0.03 0.16 -0.05 0.00 0.06 0.00 0.00 34.95 35.08 1wfe s ARG 80 CO -0.01 -0.08 0.06 0.45 -2.50 0.00 0.00 175.30 173.22 1wfe s SER 81 N 0.47 4.30 -0.20 -2.12 0.15 -1.26 -5.06 113.70 110.00 1wfe s SER 81 Ca -0.02 -0.96 -0.33 0.00 0.70 0.00 0.00 55.95 55.33 1wfe s SER 81 Cb -0.04 -0.57 -0.10 0.00 -1.71 0.00 0.00 66.02 63.60 1wfe s SER 81 CO -0.02 -0.29 2.04 0.61 1.20 0.00 0.00 173.24 176.78 1wfe n GLY 82 N -1.02 1.08 3.77 9.45 0.00 -1.26 -4.92 105.19 112.29 1wfe n GLY 82 Ca -0.04 0.87 -0.40 0.00 0.00 0.00 0.00 46.02 46.45 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 5.15 4.37 0.20 1.61 0.04 -1.26 -5.05 135.00 140.06 1wfe s PRO 83 Ca 0.99 2.02 0.08 0.00 0.04 0.00 0.00 61.00 64.14 1wfe s PRO 83 Cb -0.68 -3.02 -0.05 0.00 0.04 0.00 0.00 34.50 30.79 1wfe s PRO 83 CO 0.48 -0.10 -0.15 0.45 0.04 0.00 0.00 177.00 177.71 1wfe s SER 84 N -0.73 2.63 0.07 6.66 0.15 -1.26 -5.14 113.70 116.08 1wfe s SER 84 Ca 0.49 -0.98 -0.11 0.00 0.70 0.00 0.00 55.95 56.05 1wfe s SER 84 Cb -0.36 -0.15 -0.06 0.00 -1.71 0.00 0.00 66.02 63.75 1wfe s SER 84 CO 0.47 -0.13 0.42 -0.44 1.20 0.00 0.00 173.24 174.75 1wfe s SER 85 N -3.18 6.69 0.00 5.45 0.01 -1.26 -5.30 113.70 116.11 1wfe s SER 85 Ca 0.21 0.85 0.24 0.00 1.31 0.00 0.00 55.95 58.56 1wfe s SER 85 Cb -0.02 -2.20 0.20 0.00 0.21 0.00 0.00 66.02 64.21 1wfe s SER 85 CO 0.07 0.19 1.27 0.61 0.41 0.00 0.00 173.24 175.79