#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 -0.30 -0.16 1.61 0.15 -1.26 -5.17 113.70 108.57 1wfe s SER 2 Ca 0.00 0.47 -0.28 0.00 0.70 0.00 0.00 55.95 56.84 1wfe s SER 2 Cb 0.00 0.56 0.07 0.00 -1.71 0.00 0.00 66.02 64.95 1wfe s SER 2 CO 0.00 -0.25 0.73 -0.55 1.20 0.00 0.00 173.24 174.37 1wfe s SER 3 N -0.40 -0.68 -0.06 5.45 0.15 -1.26 -5.18 113.70 111.72 1wfe s SER 3 Ca -0.05 1.04 -0.30 0.00 0.70 0.00 0.00 55.95 57.33 1wfe s SER 3 Cb -0.03 0.96 0.09 0.00 -1.71 0.00 0.00 66.02 65.32 1wfe s SER 3 CO 0.02 -0.42 0.77 -0.83 1.20 0.00 0.00 173.24 173.98 1wfe s GLY 4 N -0.43 -0.50 -0.02 9.45 0.00 -1.26 -5.18 107.32 109.39 1wfe s GLY 4 Ca -0.05 1.42 -0.30 0.00 0.00 0.00 0.00 44.72 45.79 1wfe s GLY 4 CO 0.05 0.88 1.05 -0.45 0.00 0.00 0.00 173.10 174.63 1wfe s SER 5 N -1.37 -0.21 0.17 1.64 0.15 -1.26 -5.19 113.70 107.63 1wfe s SER 5 Ca -0.07 -0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.47 1wfe s SER 5 Cb -0.00 0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1wfe s SER 5 CO 0.05 -0.54 0.03 -0.55 1.20 0.00 0.00 173.24 173.44 1wfe s SER 6 N -2.60 0.87 -0.52 5.45 0.15 -1.26 -5.12 113.70 110.67 1wfe s SER 6 Ca 0.09 -1.21 0.03 0.00 0.70 0.00 0.00 55.95 55.55 1wfe s SER 6 Cb -0.00 0.19 0.13 0.00 -1.71 0.00 0.00 66.02 64.63 1wfe s SER 6 CO -0.05 -0.65 0.27 -0.83 1.20 0.00 0.00 173.24 173.19 1wfe s GLY 7 N -3.14 2.40 0.26 9.45 0.00 -1.26 -5.09 107.32 109.94 1wfe s GLY 7 Ca 0.26 -3.19 -0.08 0.00 0.00 0.00 0.00 44.72 41.71 1wfe s GLY 7 CO 0.04 1.02 0.57 0.00 0.00 0.00 0.00 173.10 174.73 1wfe s SER 9 N -2.72 6.36 0.51 0.00 0.15 -1.26 -5.10 113.70 111.64 1wfe s SER 9 Ca 0.46 0.42 0.01 0.00 0.70 0.00 0.00 55.95 57.54 1wfe s SER 9 Cb -0.11 -2.11 -0.01 0.00 -1.71 0.00 0.00 66.02 62.08 1wfe s SER 9 CO 0.25 0.26 0.01 -1.83 1.20 0.00 0.00 173.24 173.14 1wfe s GLU 10 N -0.23 2.19 -0.29 5.44 -1.05 -1.26 -5.16 118.70 118.34 1wfe s GLU 10 Ca 0.13 -2.41 -0.24 0.00 -0.15 0.00 0.00 54.97 52.31 1wfe s GLU 10 Cb -0.12 -1.43 0.17 0.00 -0.44 0.00 0.00 34.13 32.31 1wfe s GLU 10 CO 0.02 -0.40 1.29 0.54 0.95 0.00 0.00 175.26 177.67 1wfe s VAL 11 N -2.92 0.00 -0.06 1.83 0.11 -1.26 -5.17 120.40 112.93 1wfe s VAL 11 Ca 0.05 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.12 1wfe s VAL 11 Cb 0.01 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.83 1wfe s VAL 11 CO 0.03 0.00 -0.10 0.21 -3.33 0.00 0.00 175.10 171.91 1wfe s ASN 12 N 0.24 4.37 -0.07 3.54 3.84 -1.26 -5.12 114.94 120.48 1wfe s ASN 12 Ca 0.04 -0.10 0.04 0.00 0.21 0.00 0.00 52.86 53.05 1wfe s ASN 12 Cb -0.05 -1.03 0.00 0.00 -0.55 0.00 0.00 41.25 39.62 1wfe s ASN 12 CO -0.13 0.35 -0.21 -0.69 -2.79 0.00 0.00 177.10 173.64 1wfe s VAL 13 N -0.77 1.76 -0.83 -5.21 1.01 -1.26 -5.07 120.40 110.03 1wfe s VAL 13 Ca 0.12 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 60.98 1wfe s VAL 13 Cb -0.11 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1wfe s VAL 13 CO 0.01 0.49 1.57 -0.69 0.00 0.00 0.00 175.10 176.49 1wfe s VAL 14 N 0.26 3.65 -0.13 2.92 1.01 -1.26 -4.97 120.40 121.88 1wfe s VAL 14 Ca -0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 1wfe s VAL 14 Cb -0.16 -4.59 -0.03 0.00 0.00 0.00 0.00 36.38 31.60 1wfe s VAL 14 CO 0.06 -1.52 -0.03 -0.54 0.00 0.00 0.00 175.10 173.07 1wfe s LYS 15 N 6.02 3.40 0.41 2.72 1.02 -1.26 -5.08 119.74 126.97 1wfe s LYS 15 Ca 0.51 -0.48 -0.24 0.00 0.02 0.00 0.00 55.97 55.78 1wfe s LYS 15 Cb -0.06 -2.86 -0.11 0.00 -0.52 0.00 0.00 37.83 34.28 1wfe s LYS 15 CO 0.06 0.42 0.97 -1.91 -0.92 0.00 0.00 175.35 173.97 1wfe n GLU 16 N 3.01 1.28 -1.25 1.68 2.13 -1.26 -4.89 120.64 121.34 1wfe n GLU 16 Ca -0.18 0.46 -0.36 0.00 0.66 0.00 0.00 57.16 57.75 1wfe n GLU 16 Cb 0.53 -1.98 0.08 0.00 0.27 0.00 0.00 31.44 30.34 1wfe n GLU 16 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1wfe n ARG 17 N 0.21 0.31 -2.23 5.31 5.12 -1.26 -4.91 116.66 119.21 1wfe n ARG 17 Ca 0.10 0.15 -0.41 0.00 -1.93 0.00 0.00 57.85 55.76 1wfe n ARG 17 Cb 0.39 -1.99 -0.03 0.00 -1.16 0.00 0.00 32.46 29.66 1wfe n ARG 17 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1wfe s PRO 18 N -3.09 4.42 0.39 5.56 0.04 -1.26 -4.94 135.00 136.13 1wfe s PRO 18 Ca 0.68 2.06 -0.13 0.00 0.04 0.00 0.00 61.00 63.64 1wfe s PRO 18 Cb -0.33 -3.16 -0.11 0.00 0.04 0.00 0.00 34.50 30.93 1wfe s PRO 18 CO 0.56 -0.16 -0.12 1.63 0.04 0.00 0.00 177.00 178.95 1wfe n LYS 19 N 1.89 0.00 -5.11 4.56 5.02 -1.26 -4.95 118.16 118.31 1wfe n LYS 19 Ca 0.03 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.02 1wfe n LYS 19 Cb 0.43 -0.74 -0.17 0.00 -0.02 0.00 0.00 35.03 34.53 1wfe n LYS 19 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1wfe s THR 20 N -1.48 1.88 -0.38 -0.18 -1.32 -1.26 -5.06 115.64 107.86 1wfe s THR 20 Ca 0.41 -0.93 -0.34 0.00 -1.21 0.00 0.00 61.69 59.62 1wfe s THR 20 Cb -0.35 -1.63 -0.15 0.00 -1.51 0.00 0.00 72.50 68.86 1wfe s THR 20 CO 0.50 0.52 1.41 0.47 -2.21 0.00 0.00 174.62 175.30 1wfe n ASP 21 N 3.50 0.74 -0.29 8.08 8.00 -1.26 -4.75 116.55 130.57 1wfe n ASP 21 Ca -0.19 0.70 0.09 0.00 0.71 0.00 0.00 54.79 56.10 1wfe n ASP 21 Cb 0.53 -0.67 0.22 0.00 -0.02 0.00 0.00 41.12 41.18 1wfe n ASP 21 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1wfe h GLU 22 N 5.26 0.11 -6.53 -1.24 4.57 -2.04 -3.38 114.58 111.33 1wfe h GLU 22 Ca -0.20 -0.01 -0.53 0.00 -1.18 0.00 0.00 59.36 57.44 1wfe h GLU 22 Cb 1.05 -0.03 0.02 0.00 -0.16 0.00 0.00 28.75 29.64 1wfe h GLU 22 CO 0.78 0.07 0.76 -1.01 -1.18 0.00 0.00 179.01 178.43 1wfe s HIS 23 N -6.04 3.15 0.28 0.92 3.76 -1.26 -5.01 115.29 111.08 1wfe s HIS 23 Ca -0.13 0.88 -0.02 0.00 -0.15 0.00 0.00 55.06 55.64 1wfe s HIS 23 Cb 0.25 -3.71 -0.04 0.00 1.11 0.00 0.00 32.58 30.18 1wfe s HIS 23 CO 0.76 -2.53 0.50 0.21 -0.85 0.00 0.00 174.74 172.83 1wfe s LYS 24 N 1.33 3.56 -0.18 1.40 2.20 -1.26 -5.03 119.74 121.75 1wfe s LYS 24 Ca 0.65 -0.19 -0.03 0.00 -0.36 0.00 0.00 55.97 56.04 1wfe s LYS 24 Cb -0.37 -2.71 -0.02 0.00 -1.51 0.00 0.00 37.83 33.23 1wfe s LYS 24 CO 0.30 0.25 -0.05 -1.54 -0.36 0.00 0.00 175.35 173.95 1wfe s SER 25 N -3.41 4.43 -0.07 1.43 1.04 -1.26 -4.10 113.70 111.76 1wfe s SER 25 Ca 0.41 -0.29 -0.10 0.00 0.48 0.00 0.00 55.95 56.45 1wfe s SER 25 Cb -0.10 -1.73 -0.05 0.00 0.10 0.00 0.00 66.02 64.23 1wfe s SER 25 CO 0.31 0.07 0.25 -0.31 0.98 0.00 0.00 173.24 174.55 1wfe s TYR 26 N 0.92 3.65 0.33 5.02 2.02 -0.20 -4.83 117.35 124.26 1wfe s TYR 26 Ca -0.01 0.71 -0.23 0.00 -0.37 0.00 0.00 57.07 57.17 1wfe s TYR 26 Cb -0.15 -2.09 -0.10 0.00 -0.40 0.00 0.00 41.96 39.23 1wfe s TYR 26 CO 0.01 0.69 0.90 -1.54 -1.57 0.00 0.00 175.55 174.04 1wfe s SER 27 N -1.01 7.17 0.35 2.29 1.04 -1.26 -2.47 113.70 119.82 1wfe s SER 27 Ca 0.18 1.71 -0.26 0.00 0.48 0.00 0.00 55.95 58.06 1wfe s SER 27 Cb -0.14 -2.53 -0.09 0.00 0.10 0.00 0.00 66.02 63.36 1wfe s SER 27 CO 0.08 -0.12 1.09 0.00 0.98 0.00 0.00 173.24 175.26 1wfe n SER 29 N 0.44 2.91 -4.96 0.00 7.64 0.39 -4.89 113.62 115.15 1wfe n SER 29 Ca 0.02 -2.41 -0.22 0.00 1.01 0.00 0.00 58.87 57.27 1wfe n SER 29 Cb 0.47 -0.59 0.01 0.00 -1.01 0.00 0.00 64.21 63.10 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 -1.29 3.16 -0.74 1.43 5.36 -1.26 -5.00 117.98 119.63 1wfe s PHE 30 Ca 0.18 0.16 -0.15 0.00 -0.96 0.00 0.00 56.93 56.16 1wfe s PHE 30 Cb 0.14 -2.37 0.19 0.00 -0.34 0.00 0.00 43.02 40.64 1wfe s PHE 30 CO 0.04 -0.42 0.71 0.21 -1.46 0.00 0.00 175.22 174.30 1wfe s LYS 31 N -4.57 3.42 0.00 10.12 2.20 -1.26 -4.33 119.74 125.32 1wfe s LYS 31 Ca 0.50 -2.19 0.00 0.00 -0.36 0.00 0.00 55.97 53.92 1wfe s LYS 31 Cb -0.10 -4.41 0.00 0.00 -1.51 0.00 0.00 37.83 31.81 1wfe s LYS 31 CO 0.38 -1.33 0.00 0.41 -0.36 0.00 0.00 175.35 174.45 1wfe n GLY 32 N 4.43 1.03 0.02 5.54 0.00 -1.26 -5.00 105.19 109.95 1wfe n GLY 32 Ca 0.06 -0.30 0.04 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.08 -0.94 -4.43 0.00 -2.24 -1.26 -4.89 114.28 98.44 1wfe n THR 34 Ca -0.07 -0.31 -0.26 0.00 -2.27 0.00 0.00 64.05 61.14 1wfe n THR 34 Cb 0.48 -0.85 -0.13 0.00 -2.10 0.00 0.00 70.33 67.72 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 -3.94 2.78 0.20 3.42 1.01 -1.26 -5.04 116.67 113.85 1wfe s ASP 35 Ca 0.11 -0.66 0.00 0.00 0.71 0.00 0.00 52.55 52.71 1wfe s ASP 35 Cb -0.06 -0.18 -0.04 0.00 1.01 0.00 0.00 42.92 43.64 1wfe s ASP 35 CO 0.58 0.13 0.09 0.68 0.21 0.00 0.00 175.17 176.85 1wfe s VAL 36 N -1.04 0.29 0.03 -1.27 -7.23 -1.26 -1.08 120.40 108.84 1wfe s VAL 36 Ca 0.09 -1.98 -0.22 0.00 -1.81 0.00 0.00 61.98 58.06 1wfe s VAL 36 Cb -0.10 -2.41 0.05 0.00 0.56 0.00 0.00 36.38 34.49 1wfe s VAL 36 CO 0.04 -0.15 0.50 -1.61 -0.31 0.00 0.00 175.10 173.57 1wfe s GLU 37 N -4.07 1.00 0.27 4.82 0.41 -1.03 -4.91 118.70 115.19 1wfe s GLU 37 Ca 0.34 -0.21 -0.02 0.00 -0.41 0.00 0.00 54.97 54.67 1wfe s GLU 37 Cb 0.07 0.45 0.42 0.00 -1.78 0.00 0.00 34.13 33.30 1wfe s GLU 37 CO 0.10 -0.35 1.88 -0.07 -0.49 0.00 0.00 175.26 176.32 1wfe h LEU 38 N 2.91 1.03-10.29 1.80 3.38 -1.92 -0.51 115.31 111.72 1wfe h LEU 38 Ca -0.30 0.01 -0.45 0.00 0.09 0.00 0.00 57.88 57.23 1wfe h LEU 38 Cb 1.20 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1wfe h LEU 38 CO 0.41 0.65 -0.34 0.68 0.09 0.00 0.00 178.44 179.93 1wfe s VAL 39 N -6.03 3.41 -0.63 1.22 -7.23 -1.26 -4.26 120.40 105.62 1wfe s VAL 39 Ca -0.12 -1.11 -0.08 0.00 -1.81 0.00 0.00 61.98 58.86 1wfe s VAL 39 Cb 0.20 -3.17 0.16 0.00 0.56 0.00 0.00 36.38 34.14 1wfe s VAL 39 CO 0.81 -0.08 0.50 0.00 -0.31 0.00 0.00 175.10 176.02 1wfe s ALA 40 N -2.30 3.65 -0.73 1.32 0.00 -1.26 -4.47 121.76 117.97 1wfe s ALA 40 Ca 0.48 -3.05 -0.26 0.00 0.00 0.00 0.00 51.96 49.13 1wfe s ALA 40 Cb -0.08 -2.93 -0.01 0.00 0.00 0.00 0.00 23.12 20.09 1wfe s ALA 40 CO 0.30 -2.09 1.73 0.08 0.00 0.00 0.00 175.76 175.79 1wfe s VAL 41 N 0.43 3.49 -0.00 0.00 1.01 -1.24 -4.93 120.40 119.16 1wfe s VAL 41 Ca 0.14 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 1wfe s VAL 41 Cb -0.19 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 31.89 1wfe s VAL 41 CO -0.04 -1.19 0.48 -0.63 0.00 0.00 0.00 175.10 173.73 1wfe s ILE 42 N 8.32 4.97 -0.18 2.22 -1.09 -1.26 -0.42 121.20 133.75 1wfe s ILE 42 Ca 0.60 1.01 -0.23 0.00 -2.23 0.00 0.00 60.65 59.80 1wfe s ILE 42 Cb -0.09 -3.81 -0.02 0.00 -1.58 0.00 0.00 42.46 36.96 1wfe s ILE 42 CO 0.12 0.51 0.71 0.00 -1.23 0.00 0.00 174.94 175.05 1wfe n PRO 44 N 5.07 0.49 -0.02 0.00 -0.04 -1.26 0.82 135.00 140.06 1wfe n PRO 44 Ca 0.01 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.43 1wfe n PRO 44 Cb 0.49 -1.21 -0.01 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.71 0.00 1.11 0.54 4.02 -1.26 -4.73 117.16 116.13 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 -0.23 0.18 0.00 -0.02 0.00 0.00 39.34 39.29 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 -0.63 -5.71 -4.33 0.00 1.02 0.24 -4.97 120.64 106.27 1wfe n GLU 47 Ca 0.10 0.68 -0.23 0.00 -0.02 0.00 0.00 57.16 57.68 1wfe n GLU 47 Cb 0.39 -5.45 -0.12 0.00 -0.02 0.00 0.00 31.44 26.24 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 -6.08 1.26 -0.10 3.49 1.02 -1.24 -4.80 119.74 113.29 1wfe s LYS 48 Ca 0.23 -1.33 -0.20 0.00 0.02 0.00 0.00 55.97 54.69 1wfe s LYS 48 Cb -0.11 -1.44 -0.04 0.00 -0.52 0.00 0.00 37.83 35.72 1wfe s LYS 48 CO 0.79 0.31 0.56 1.21 -0.92 0.00 0.00 175.35 177.31 1wfe s ASN 49 N -2.37 6.81 0.31 2.83 2.47 -1.26 -0.45 114.94 123.28 1wfe s ASN 49 Ca 0.13 0.97 0.03 0.00 0.42 0.00 0.00 52.86 54.41 1wfe s ASN 49 Cb -0.08 -2.34 -0.04 0.00 -1.45 0.00 0.00 41.25 37.35 1wfe s ASN 49 CO 0.06 -0.04 0.16 -0.36 -3.72 0.00 0.00 177.10 173.20 1wfe s PHE 50 N 0.67 1.63 0.20 0.43 0.08 0.44 0.15 117.98 121.57 1wfe s PHE 50 Ca 0.30 -1.36 -0.07 0.00 0.12 0.00 0.00 56.93 55.92 1wfe s PHE 50 Cb -0.16 -0.88 -0.06 0.00 -0.57 0.00 0.00 43.02 41.34 1wfe s PHE 50 CO 0.13 -0.51 0.48 0.00 -0.10 0.00 0.00 175.22 175.23 1wfe n LEU 52 N -0.16 0.32 -0.23 0.00 7.99 -1.26 0.23 117.00 123.88 1wfe n LEU 52 Ca -0.01 1.52 -0.08 0.00 -0.01 0.00 0.00 56.01 57.43 1wfe n LEU 52 Cb 0.52 -0.74 0.03 0.00 -0.11 0.00 0.00 43.42 43.12 1wfe n LEU 52 CO 0.47 -1.71 0.91 0.03 -1.51 0.00 0.00 177.39 175.58 1wfe h ARG 53 N 0.00 1.06 -0.69 3.23 2.47 -1.99 -2.89 114.38 115.57 1wfe h ARG 53 Ca 0.78 -0.27 -0.38 0.00 -1.26 0.00 0.00 59.98 58.85 1wfe h ARG 53 Cb 2.08 -0.13 -0.22 0.00 -1.65 0.00 0.00 29.97 30.04 1wfe h ARG 53 CO -0.70 0.96 0.27 0.72 0.56 0.00 0.00 179.97 181.78 1wfe n HIS 54 N -4.27 2.16 0.02 3.04 8.25 0.63 -4.58 115.22 120.46 1wfe n HIS 54 Ca 0.04 -1.86 -0.07 0.00 -0.26 0.00 0.00 57.72 55.56 1wfe n HIS 54 Cb 0.27 -0.76 0.10 0.00 1.12 0.00 0.00 29.99 30.72 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 1.13 0.50 -7.30 -0.41 0.11 -0.02 -3.40 114.38 104.99 1wfe h ARG 55 Ca 0.44 -0.28 -0.47 0.00 0.10 0.00 0.00 59.98 59.76 1wfe h ARG 55 Cb 2.09 0.02 0.17 0.00 1.11 0.00 0.00 29.97 33.36 1wfe h ARG 55 CO 0.81 0.87 0.18 -1.01 0.10 0.00 0.00 179.97 180.92 1wfe s HIS 56 N -4.08 2.00 0.00 4.08 3.76 -1.26 -4.89 115.29 114.89 1wfe s HIS 56 Ca -0.07 1.22 0.00 0.00 -0.15 0.00 0.00 55.06 56.06 1wfe s HIS 56 Cb 0.12 -3.19 0.00 0.00 1.11 0.00 0.00 32.58 30.62 1wfe s HIS 56 CO 0.82 -2.87 0.31 1.04 -0.85 0.00 0.00 174.74 173.19 1wfe n GLN 57 N -4.21 0.00 -0.34 1.40 6.02 -1.26 -3.44 117.38 115.54 1wfe n GLN 57 Ca 0.06 0.42 0.20 0.00 -0.01 0.00 0.00 57.00 57.67 1wfe n GLN 57 Cb 0.55 -1.09 0.43 0.00 1.02 0.00 0.00 30.24 31.15 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 0.60 -0.55 1.08 0.87 -1.93 0.17 113.55 113.80 1wfe h SER 58 Ca 0.00 0.14 0.11 0.00 -1.23 0.00 0.00 61.79 60.81 1wfe h SER 58 Cb 0.00 0.06 -0.11 0.00 -0.44 0.00 0.00 62.40 61.91 1wfe h SER 58 CO 0.00 0.04 -0.25 0.44 -0.53 0.00 0.00 176.83 176.53 1wfe h ASP 59 N 0.49 -0.88 -0.48 6.23 5.19 -1.92 0.35 116.42 125.39 1wfe h ASP 59 Ca 0.66 0.20 -0.07 0.00 -0.62 0.00 0.00 57.03 57.20 1wfe h ASP 59 Cb 1.40 0.47 -0.04 0.00 0.18 0.00 0.00 39.33 41.34 1wfe h ASP 59 CO -0.48 -0.27 0.09 0.00 -3.12 0.00 0.00 179.24 175.47 1wfe n HIS 60 N -5.43 1.66 -3.79 4.55 1.44 -0.11 -4.91 115.22 108.64 1wfe n HIS 60 Ca 0.05 -0.71 -0.24 0.00 -2.01 0.00 0.00 57.72 54.80 1wfe n HIS 60 Cb 0.34 -0.47 0.01 0.00 0.12 0.00 0.00 29.99 29.99 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 0.23 -1.33 -4.70 4.39 8.00 0.12 -4.77 116.55 118.50 1wfe n ASP 61 Ca 0.25 -0.91 -0.60 0.00 0.71 0.00 0.00 54.79 54.24 1wfe n ASP 61 Cb 1.02 -3.60 -0.08 0.00 -0.02 0.00 0.00 41.12 38.44 1wfe n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wfe h GLU 63 N 6.15 0.74 -1.06 0.00 4.11 -1.86 -2.82 114.58 119.84 1wfe h GLU 63 Ca -0.46 -0.19 0.29 0.00 0.07 0.00 0.00 59.36 59.07 1wfe h GLU 63 Cb 1.34 -0.09 -0.11 0.00 0.50 0.00 0.00 28.75 30.38 1wfe h GLU 63 CO 0.93 0.75 0.66 0.87 0.07 0.00 0.00 179.01 182.29 1wfe h LYS 64 N 0.61 0.38 -6.00 1.06 1.79 -1.88 -3.40 116.57 109.13 1wfe h LYS 64 Ca 0.14 -0.02 -0.22 0.00 -2.18 0.00 0.00 60.65 58.36 1wfe h LYS 64 Cb 0.36 -0.09 0.13 0.00 -1.58 0.00 0.00 32.23 31.05 1wfe h LYS 64 CO 0.01 0.25 -0.34 1.28 -1.08 0.00 0.00 179.45 179.57 1wfe n LEU 65 N -4.77 -1.44 -1.73 2.94 4.77 -1.06 -4.73 117.00 110.98 1wfe n LEU 65 Ca 0.28 -0.35 -0.07 0.00 -0.03 0.00 0.00 56.01 55.84 1wfe n LEU 65 Cb 0.93 -0.75 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1wfe n LEU 65 CO 0.20 -3.17 1.19 -1.84 -1.33 0.00 0.00 177.39 172.44 1wfe n GLU 66 N -1.50 1.42 -3.76 3.23 0.28 -1.26 -4.72 120.64 114.34 1wfe n GLU 66 Ca 0.05 -0.63 -0.28 0.00 -0.16 0.00 0.00 57.16 56.15 1wfe n GLU 66 Cb 0.35 -1.37 -0.16 0.00 1.43 0.00 0.00 31.44 31.68 1wfe n GLU 66 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1wfe s VAL 67 N -0.38 0.64 -0.18 3.84 1.01 -1.26 -5.10 120.40 118.97 1wfe s VAL 67 Ca 0.22 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 1wfe s VAL 67 Cb 0.13 -1.13 0.08 0.00 0.00 0.00 0.00 36.38 35.46 1wfe s VAL 67 CO -0.01 -0.21 0.18 0.00 0.00 0.00 0.00 175.10 175.06 1wfe s ALA 68 N 1.80 -0.11 -0.06 5.51 0.00 -1.26 -4.76 121.76 122.89 1wfe s ALA 68 Ca -0.01 0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.17 1wfe s ALA 68 Cb -0.17 -1.18 0.01 0.00 0.00 0.00 0.00 23.12 21.78 1wfe s ALA 68 CO -0.08 -1.09 -0.13 -1.59 0.00 0.00 0.00 175.76 172.86 1wfe s LYS 69 N 2.28 1.67 0.00 0.00 -2.85 -1.26 -5.01 119.74 114.58 1wfe s LYS 69 Ca 0.05 -0.46 0.16 0.00 -1.00 0.00 0.00 55.97 54.72 1wfe s LYS 69 Cb -0.15 -1.40 0.92 0.00 -2.06 0.00 0.00 37.83 35.13 1wfe s LYS 69 CO -0.10 0.09 1.35 -0.35 0.10 0.00 0.00 175.35 176.44 1wfe n PRO 70 N 3.60 0.47 -2.69 1.78 -0.04 -1.26 -4.43 135.00 132.42 1wfe n PRO 70 Ca -0.21 0.01 -0.43 0.00 -0.04 0.00 0.00 63.50 62.83 1wfe n PRO 70 Cb 0.52 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 -2.04 3.97 -0.22 0.54 1.81 -1.26 -4.87 118.95 116.89 1wfe s ARG 71 Ca 0.23 -2.09 -0.31 0.00 -1.72 0.00 0.00 55.73 51.84 1wfe s ARG 71 Cb 0.11 -5.37 0.16 0.00 -0.45 0.00 0.00 34.95 29.39 1wfe s ARG 71 CO 0.18 -2.10 1.21 0.00 -0.68 0.00 0.00 175.30 173.91 1wfe s MET 72 N 3.48 0.29 -0.53 3.54 0.23 -1.26 -5.12 119.30 119.93 1wfe s MET 72 Ca 0.49 0.01 -0.19 0.00 -1.03 0.00 0.00 55.69 54.98 1wfe s MET 72 Cb 0.01 0.14 0.07 0.00 -1.53 0.00 0.00 34.83 33.52 1wfe s MET 72 CO 0.04 -0.10 0.62 0.00 -2.03 0.00 0.00 175.02 173.55 1wfe s ALA 73 N -1.49 3.42 -0.70 3.16 0.00 -1.26 -5.01 121.76 119.88 1wfe s ALA 73 Ca 0.06 -1.94 -0.19 0.00 0.00 0.00 0.00 51.96 49.88 1wfe s ALA 73 Cb -0.01 -3.37 0.11 0.00 0.00 0.00 0.00 23.12 19.85 1wfe s ALA 73 CO -0.04 -2.08 0.86 0.00 0.00 0.00 0.00 175.76 174.49 1wfe s ALA 74 N 2.51 3.39 -0.01 0.00 0.00 -1.26 -5.02 121.76 121.38 1wfe s ALA 74 Ca 0.13 -2.34 0.06 0.00 0.00 0.00 0.00 51.96 49.80 1wfe s ALA 74 Cb -0.21 -3.71 -0.03 0.00 0.00 0.00 0.00 23.12 19.17 1wfe s ALA 74 CO 0.09 -2.57 -0.19 0.95 0.00 0.00 0.00 175.76 174.05 1wfe s THR 75 N 2.79 2.71 0.38 0.00 -4.23 -1.26 -5.09 115.64 110.94 1wfe s THR 75 Ca 0.19 -1.01 -0.24 0.00 -1.18 0.00 0.00 61.69 59.45 1wfe s THR 75 Cb -0.17 -2.07 -0.12 0.00 1.34 0.00 0.00 72.50 71.47 1wfe s THR 75 CO 0.03 0.48 0.80 1.67 -0.54 0.00 0.00 174.62 177.06 1wfe n GLN 76 N 2.03 0.96 -3.80 3.99 7.27 -1.26 -4.98 117.38 121.58 1wfe n GLN 76 Ca -0.16 0.34 -0.04 0.00 0.07 0.00 0.00 57.00 57.21 1wfe n GLN 76 Cb 0.52 -1.73 -0.00 0.00 2.41 0.00 0.00 30.24 31.43 1wfe n GLN 76 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 1wfe s LYS 77 N -1.70 1.39 0.04 3.69 0.00 -1.26 -5.18 119.74 116.71 1wfe s LYS 77 Ca 0.63 -0.81 0.02 0.00 0.00 0.00 0.00 55.97 55.81 1wfe s LYS 77 Cb -0.62 0.45 -0.02 0.00 0.00 0.00 0.00 37.83 37.63 1wfe s LYS 77 CO 0.58 -0.64 -0.08 -0.48 0.00 0.00 0.00 175.35 174.73 1wfe s LEU 78 N -3.04 2.24 -0.18 2.77 0.05 -1.26 -5.14 118.68 114.11 1wfe s LEU 78 Ca 0.14 -0.52 0.01 0.00 0.05 0.00 0.00 54.13 53.81 1wfe s LEU 78 Cb -0.03 -0.18 0.02 0.00 -2.05 0.00 0.00 46.19 43.96 1wfe s LEU 78 CO 0.04 -0.18 -0.19 0.54 -0.55 0.00 0.00 176.35 176.01 1wfe s VAL 79 N -1.29 2.15 -0.30 1.48 0.11 -1.26 -5.08 120.40 116.22 1wfe s VAL 79 Ca -0.09 -0.91 -0.16 0.00 -2.93 0.00 0.00 61.98 57.89 1wfe s VAL 79 Cb -0.09 -1.91 0.18 0.00 -1.53 0.00 0.00 36.38 33.03 1wfe s VAL 79 CO 0.00 0.53 1.15 -0.60 -3.33 0.00 0.00 175.10 172.85 1wfe s ARG 80 N 1.28 0.18 1.18 1.54 6.06 -1.26 -5.15 118.95 122.77 1wfe s ARG 80 Ca 0.05 0.31 -0.15 0.00 -2.50 0.00 0.00 55.73 53.43 1wfe s ARG 80 Cb -0.13 0.04 0.28 0.00 0.06 0.00 0.00 34.95 35.20 1wfe s ARG 80 CO -0.12 -0.04 1.04 0.45 -2.50 0.00 0.00 175.30 174.13 1wfe s SER 81 N 1.21 1.01 0.00 -2.12 0.15 -1.26 -5.01 113.70 107.68 1wfe s SER 81 Ca -0.08 1.16 0.00 0.00 0.70 0.00 0.00 55.95 57.73 1wfe s SER 81 Cb -0.03 -1.78 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 1wfe s SER 81 CO -0.12 -4.13 0.00 0.61 1.20 0.00 0.00 173.24 170.80 1wfe n GLY 82 N 0.11 0.15 3.57 9.45 0.00 -1.26 -5.05 105.19 112.16 1wfe n GLY 82 Ca 0.06 0.47 -0.28 0.00 0.00 0.00 0.00 46.02 46.28 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 1.57 2.52 0.18 1.61 0.04 -1.26 -4.95 135.00 134.71 1wfe s PRO 83 Ca 0.00 -0.88 -0.30 0.00 0.04 0.00 0.00 61.00 59.86 1wfe s PRO 83 Cb 0.00 -5.18 -0.08 0.00 0.04 0.00 0.00 34.50 29.28 1wfe s PRO 83 CO 0.00 -3.78 0.94 -1.54 0.04 0.00 0.00 177.00 172.65 1wfe s SER 84 N 7.00 7.57 -0.16 6.66 1.04 -1.26 -4.99 113.70 129.57 1wfe s SER 84 Ca 0.69 1.86 -0.12 0.00 0.48 0.00 0.00 55.95 58.87 1wfe s SER 84 Cb -0.03 -2.59 -0.06 0.00 0.10 0.00 0.00 66.02 63.44 1wfe s SER 84 CO 0.09 0.07 -0.14 -0.24 0.98 0.00 0.00 173.24 173.99 1wfe n SER 85 N 2.04 1.83 0.00 7.02 2.88 -1.26 -5.22 113.62 120.91 1wfe n SER 85 Ca -0.00 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 1wfe n SER 85 Cb 0.48 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 1wfe n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42