#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfq s SER 2 N 0.00 6.40 0.19 1.61 1.04 -1.26 -5.01 113.70 116.67 1wfq s SER 2 Ca 0.00 -1.66 0.07 0.00 0.48 0.00 0.00 55.95 54.84 1wfq s SER 2 Cb 0.00 -2.36 -0.05 0.00 0.10 0.00 0.00 66.02 63.71 1wfq s SER 2 CO 0.00 -1.13 -0.14 -0.94 0.98 0.00 0.00 173.24 172.01 1wfq s SER 3 N 3.51 2.45 0.00 7.02 1.04 -1.26 -5.09 113.70 121.37 1wfq s SER 3 Ca 0.23 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1wfq s SER 3 Cb -0.14 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.86 1wfq s SER 3 CO 0.00 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1wfq n GLY 4 N -0.30 -1.27 2.33 7.32 0.00 -1.26 -4.83 105.19 107.18 1wfq n GLY 4 Ca -0.09 -1.41 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 1wfq n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wfq n SER 5 N -0.97 6.07 -4.88 1.61 3.41 -1.26 -5.04 113.62 112.57 1wfq n SER 5 Ca 0.00 -3.77 -0.30 0.00 -0.26 0.00 0.00 58.87 54.54 1wfq n SER 5 Cb 0.00 -0.65 0.07 0.00 -0.26 0.00 0.00 64.21 63.36 1wfq n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wfq s SER 6 N -2.71 4.95 0.01 4.04 0.15 -1.26 -5.09 113.70 113.79 1wfq s SER 6 Ca 0.55 1.03 0.00 0.00 0.70 0.00 0.00 55.95 58.22 1wfq s SER 6 Cb 0.44 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 63.04 1wfq s SER 6 CO -0.09 -1.65 0.00 0.61 1.20 0.00 0.00 173.24 173.31 1wfq n GLY 7 N -2.98 1.90 0.00 9.45 0.00 -1.26 -5.10 105.19 107.20 1wfq n GLY 7 Ca 0.07 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1wfq n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfq n GLY 8 N 5.00 0.85 2.51 -0.02 0.00 -1.26 -5.07 105.19 107.20 1wfq n GLY 8 Ca 0.00 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 1wfq n GLY 8 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1wfq n TYR 9 N 9.00 -3.09 -1.10 1.61 0.18 -1.26 -4.75 117.16 117.75 1wfq n TYR 9 Ca 0.00 0.20 -0.30 0.00 1.88 0.00 0.00 57.90 59.68 1wfq n TYR 9 Cb 0.00 -1.26 0.22 0.00 -0.38 0.00 0.00 39.34 37.92 1wfq n TYR 9 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 1wfq s PRO 10 N -1.13 -0.82 -0.18 -3.48 0.04 -1.26 -5.13 135.00 123.03 1wfq s PRO 10 Ca 0.40 0.08 -0.15 0.00 0.04 0.00 0.00 61.00 61.36 1wfq s PRO 10 Cb -0.29 -1.63 -0.11 0.00 0.04 0.00 0.00 34.50 32.51 1wfq s PRO 10 CO 0.58 -3.48 0.01 0.09 0.04 0.00 0.00 177.00 174.25 1wfq n ASN 11 N -4.62 1.84 -4.41 6.66 3.02 -1.26 -5.03 115.26 111.46 1wfq n ASN 11 Ca 0.11 0.52 -0.22 0.00 -0.03 0.00 0.00 54.58 54.96 1wfq n ASN 11 Cb 0.59 -0.92 -0.10 0.00 -0.61 0.00 0.00 39.78 38.74 1wfq n ASN 11 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1wfq s GLY 12 N -4.57 2.18 -0.19 7.41 0.00 -1.26 -4.71 107.32 106.17 1wfq s GLY 12 Ca -0.22 -1.90 -0.07 0.00 0.00 0.00 0.00 44.72 42.53 1wfq s GLY 12 CO 0.41 -1.83 -0.23 -0.37 0.00 0.00 0.00 173.10 171.09 1wfq n THR 13 N -0.73 1.05 -2.56 0.90 5.66 -1.26 -4.78 114.28 112.55 1wfq n THR 13 Ca -0.03 -0.30 -0.06 0.00 -3.05 0.00 0.00 64.05 60.61 1wfq n THR 13 Cb 0.66 -1.61 0.04 0.00 -1.55 0.00 0.00 70.33 67.88 1wfq n THR 13 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1wfq n SER 14 N -3.66 2.49 -3.62 1.09 3.41 -1.26 -5.04 113.62 107.02 1wfq n SER 14 Ca -0.36 -2.56 0.01 0.00 -0.26 0.00 0.00 58.87 55.70 1wfq n SER 14 Cb 0.79 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 64.24 1wfq n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wfq s ALA 15 N -3.51 -2.55 -0.27 7.33 0.00 -1.26 -5.18 121.76 116.33 1wfq s ALA 15 Ca 0.34 2.06 -0.27 0.00 0.00 0.00 0.00 51.96 54.10 1wfq s ALA 15 Cb 0.35 -1.90 0.17 0.00 0.00 0.00 0.00 23.12 21.74 1wfq s ALA 15 CO -0.03 -0.37 1.26 0.00 0.00 0.00 0.00 175.76 176.63 1wfq s ALA 16 N 1.23 -2.10 -0.27 0.00 0.00 -1.26 -4.33 121.76 115.03 1wfq s ALA 16 Ca -0.08 1.76 -0.26 0.00 0.00 0.00 0.00 51.96 53.38 1wfq s ALA 16 Cb -0.03 -1.47 0.14 0.00 0.00 0.00 0.00 23.12 21.77 1wfq s ALA 16 CO -0.12 -0.20 1.15 -0.48 0.00 0.00 0.00 175.76 176.11 1wfq s LEU 17 N -0.36 -0.32 -0.21 0.00 -0.00 -1.26 -5.13 118.68 111.40 1wfq s LEU 17 Ca 0.05 0.57 -0.29 0.00 -0.00 0.00 0.00 54.13 54.46 1wfq s LEU 17 Cb -0.03 1.64 -0.01 0.00 -0.00 0.00 0.00 46.19 47.79 1wfq s LEU 17 CO -0.09 -0.13 1.27 -0.13 -0.00 0.00 0.00 176.35 177.27 1wfq s ARG 18 N -0.04 4.13 0.22 1.48 1.81 -1.26 -4.39 118.95 120.89 1wfq s ARG 18 Ca 0.04 1.53 -0.03 0.00 -1.72 0.00 0.00 55.73 55.55 1wfq s ARG 18 Cb -0.04 -3.80 -0.05 0.00 -0.45 0.00 0.00 34.95 30.61 1wfq s ARG 18 CO -0.08 -0.84 0.43 -1.21 -0.68 0.00 0.00 175.30 172.92 1wfq s GLU 19 N 3.72 3.57 0.02 3.54 0.41 0.34 -4.85 118.70 125.44 1wfq s GLU 19 Ca 0.55 -0.20 0.06 0.00 -0.41 0.00 0.00 54.97 54.97 1wfq s GLU 19 Cb -0.20 -2.79 -0.02 0.00 -1.78 0.00 0.00 34.13 29.35 1wfq s GLU 19 CO 0.17 0.36 -0.18 0.95 -0.49 0.00 0.00 175.26 176.07 1wfq s THR 20 N -1.89 1.46 0.00 3.63 -4.23 -1.26 -0.30 115.64 113.05 1wfq s THR 20 Ca 0.40 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 1wfq s THR 20 Cb -0.11 -1.25 0.00 0.00 1.34 0.00 0.00 72.50 72.48 1wfq s THR 20 CO 0.28 0.25 0.00 0.61 -0.54 0.00 0.00 174.62 175.23 1wfq n GLY 21 N 2.20 3.76 3.30 3.99 0.00 -1.11 -3.47 105.19 113.86 1wfq n GLY 21 Ca -0.16 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 1wfq n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfq s VAL 22 N 1.79 0.04 -0.83 1.61 0.11 -0.30 -3.73 120.40 119.09 1wfq s VAL 22 Ca 0.00 -0.34 -0.25 0.00 -2.93 0.00 0.00 61.98 58.46 1wfq s VAL 22 Cb 0.00 -0.69 0.01 0.00 -1.53 0.00 0.00 36.38 34.18 1wfq s VAL 22 CO 0.00 -0.19 1.57 -0.63 -3.33 0.00 0.00 175.10 172.52 1wfq s ILE 23 N -1.16 3.66 0.04 7.04 -1.09 -1.06 0.18 121.20 128.80 1wfq s ILE 23 Ca -0.12 -0.12 -0.21 0.00 -2.23 0.00 0.00 60.65 57.97 1wfq s ILE 23 Cb -0.04 -4.60 -0.14 0.00 -1.58 0.00 0.00 42.46 36.10 1wfq s ILE 23 CO 0.05 -1.53 1.38 -0.08 -1.23 0.00 0.00 174.94 173.53 1wfq h GLU 24 N 11.17 0.29 -3.68 2.79 4.81 -1.66 -0.82 114.58 127.49 1wfq h GLU 24 Ca -0.07 -0.14 -0.14 0.00 -0.13 0.00 0.00 59.36 58.89 1wfq h GLU 24 Cb 1.05 -0.00 -0.20 0.00 0.63 0.00 0.00 28.75 30.23 1wfq h GLU 24 CO 1.30 0.64 -0.53 0.21 -0.73 0.00 0.00 179.01 179.90 1wfq s LYS 25 N -4.49 0.50 -0.01 1.92 2.36 -1.03 -4.83 119.74 114.15 1wfq s LYS 25 Ca -0.14 -0.55 -0.01 0.00 -2.55 0.00 0.00 55.97 52.72 1wfq s LYS 25 Cb 0.05 0.20 0.01 0.00 -1.05 0.00 0.00 37.83 37.04 1wfq s LYS 25 CO 0.73 -0.12 0.03 -1.17 1.55 0.00 0.00 175.35 176.38 1wfq s LEU 26 N -1.66 1.76 0.00 5.43 2.96 -1.26 0.72 118.68 126.64 1wfq s LEU 26 Ca -0.12 0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 1wfq s LEU 26 Cb -0.06 0.08 -0.00 0.00 0.50 0.00 0.00 46.19 46.71 1wfq s LEU 26 CO -0.01 -0.03 0.04 0.18 -1.32 0.00 0.00 176.35 175.21 1wfq n LEU 27 N 3.23 0.00 0.17 -0.68 4.32 0.34 -4.95 117.00 119.43 1wfq n LEU 27 Ca -0.14 -1.51 0.12 0.00 -0.02 0.00 0.00 56.01 54.46 1wfq n LEU 27 Cb 0.58 0.36 0.20 0.00 -1.62 0.00 0.00 43.42 42.94 1wfq n LEU 27 CO 0.25 -0.22 0.70 0.74 -1.22 0.00 0.00 177.39 177.63 1wfq h THR 28 N 1.24 0.00 0.00 -5.08 2.02 -2.03 -3.35 112.91 105.71 1wfq h THR 28 Ca -0.17 -0.85 -0.29 0.00 0.77 0.00 0.00 66.41 65.87 1wfq h THR 28 Cb 0.59 1.76 -0.05 0.00 -1.74 0.00 0.00 68.15 68.71 1wfq h THR 28 CO 0.28 0.00 -2.09 -0.24 0.37 0.00 0.00 175.52 173.84 1wfq n SER 29 N -2.79 2.51 -1.98 4.18 2.88 -1.26 -5.03 113.62 112.12 1wfq n SER 29 Ca 0.04 -0.10 -0.05 0.00 -1.33 0.00 0.00 58.87 57.43 1wfq n SER 29 Cb 0.50 -0.29 0.01 0.00 -0.75 0.00 0.00 64.21 63.69 1wfq n SER 29 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wfq n TYR 30 N -3.05 -1.71 -3.68 0.66 0.18 -1.26 -2.92 117.16 105.38 1wfq n TYR 30 Ca -0.34 -1.04 -0.10 0.00 1.88 0.00 0.00 57.90 58.31 1wfq n TYR 30 Cb 0.86 0.50 -0.04 0.00 -0.38 0.00 0.00 39.34 40.27 1wfq n TYR 30 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1wfq s GLY 31 N -2.14 -0.18 0.04 -7.48 0.00 -0.22 0.13 107.32 97.46 1wfq s GLY 31 Ca 0.09 -0.13 0.02 0.00 0.00 0.00 0.00 44.72 44.69 1wfq s GLY 31 CO 0.07 -0.31 0.05 -1.36 0.00 0.00 0.00 173.10 171.55 1wfq s PHE 32 N -3.83 3.17 -0.18 1.90 0.40 0.22 0.10 117.98 119.75 1wfq s PHE 32 Ca 0.06 0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.50 1wfq s PHE 32 Cb 0.01 -1.66 0.04 0.00 0.51 0.00 0.00 43.02 41.92 1wfq s PHE 32 CO -0.08 0.51 -0.09 0.42 0.70 0.00 0.00 175.22 176.67 1wfq s ILE 33 N -1.24 1.49 -0.41 0.64 1.01 -0.31 -1.71 121.20 120.65 1wfq s ILE 33 Ca 0.24 -0.85 -0.29 0.00 0.00 0.00 0.00 60.65 59.75 1wfq s ILE 33 Cb -0.12 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.79 1wfq s ILE 33 CO 0.16 0.20 1.51 -1.58 0.00 0.00 0.00 174.94 175.23 1wfq s GLN 34 N 1.47 3.48 0.20 2.79 2.00 0.46 -0.16 119.66 129.91 1wfq s GLN 34 Ca 0.00 1.00 -0.31 0.00 -2.00 0.00 0.00 55.36 54.05 1wfq s GLN 34 Cb -0.15 -4.08 -0.10 0.00 0.80 0.00 0.00 33.01 29.47 1wfq s GLN 34 CO -0.08 -1.69 1.52 0.00 -0.50 0.00 0.00 175.29 174.54 1wfq n SER 36 N 3.25 2.79 -0.08 0.00 7.64 -1.23 -2.13 113.62 123.87 1wfq n SER 36 Ca 0.11 -1.89 -0.13 0.00 1.01 0.00 0.00 58.87 57.97 1wfq n SER 36 Cb 0.39 -0.16 -0.07 0.00 -1.01 0.00 0.00 64.21 63.36 1wfq n SER 36 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wfq n GLU 37 N 1.08 0.40 0.00 1.43 -0.58 -1.26 -4.66 120.64 117.05 1wfq n GLU 37 Ca 0.18 0.11 0.07 0.00 -0.42 0.00 0.00 57.16 57.10 1wfq n GLU 37 Cb 0.52 -1.28 -0.08 0.00 -0.57 0.00 0.00 31.44 30.03 1wfq n GLU 37 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1wfq n ARG 38 N -3.15 1.84 -3.34 3.49 1.85 -1.26 -5.00 116.66 111.09 1wfq n ARG 38 Ca -0.30 -0.11 -0.17 0.00 -1.00 0.00 0.00 57.85 56.28 1wfq n ARG 38 Cb 0.79 -1.24 0.08 0.00 -1.05 0.00 0.00 32.46 31.04 1wfq n ARG 38 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1wfq n GLN 39 N -1.21 -6.28 -4.33 2.89 6.02 -0.90 -5.02 117.38 108.55 1wfq n GLN 39 Ca 0.03 0.74 -0.18 0.00 -0.01 0.00 0.00 57.00 57.59 1wfq n GLN 39 Cb 0.26 -5.48 -0.15 0.00 1.02 0.00 0.00 30.24 25.89 1wfq n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wfq s ALA 40 N -3.31 0.69 -0.60 -1.58 0.00 -1.21 -4.92 121.76 110.84 1wfq s ALA 40 Ca 0.18 -0.36 -0.28 0.00 0.00 0.00 0.00 51.96 51.50 1wfq s ALA 40 Cb -0.08 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.89 1wfq s ALA 40 CO 0.64 0.17 1.23 -0.98 0.00 0.00 0.00 175.76 176.83 1wfq s ARG 41 N -0.18 3.45 0.78 0.00 1.70 -1.26 -0.10 118.95 123.33 1wfq s ARG 41 Ca 0.03 0.22 -0.10 0.00 -0.47 0.00 0.00 55.73 55.41 1wfq s ARG 41 Cb -0.03 -4.05 0.08 0.00 -0.57 0.00 0.00 34.95 30.38 1wfq s ARG 41 CO -0.00 -1.77 1.12 -0.51 -1.08 0.00 0.00 175.30 173.06 1wfq s LEU 42 N 5.19 2.66 -0.29 -1.89 1.43 0.77 -4.84 118.68 121.71 1wfq s LEU 42 Ca 0.43 0.57 0.01 0.00 -1.03 0.00 0.00 54.13 54.11 1wfq s LEU 42 Cb -0.08 -3.08 0.08 0.00 0.03 0.00 0.00 46.19 43.15 1wfq s LEU 42 CO 0.24 -1.86 0.03 0.12 0.23 0.00 0.00 176.35 175.11 1wfq s PHE 43 N -3.46 2.52 -0.11 0.29 5.36 -1.26 -1.17 117.98 120.15 1wfq s PHE 43 Ca 0.62 -2.08 -0.08 0.00 -0.96 0.00 0.00 56.93 54.44 1wfq s PHE 43 Cb -0.10 -1.99 -0.04 0.00 -0.34 0.00 0.00 43.02 40.55 1wfq s PHE 43 CO 0.47 -0.85 0.16 -0.59 -1.46 0.00 0.00 175.22 172.95 1wfq s PHE 44 N 1.34 3.61 0.02 10.12 -0.12 0.11 -3.24 117.98 129.81 1wfq s PHE 44 Ca 0.04 0.56 -0.13 0.00 -0.05 0.00 0.00 56.93 57.35 1wfq s PHE 44 Cb -0.18 -1.98 -0.06 0.00 -0.63 0.00 0.00 43.02 40.17 1wfq s PHE 44 CO -0.13 0.72 0.40 -1.58 -0.05 0.00 0.00 175.22 174.58 1wfq s HIS 45 N -0.99 3.68 0.58 3.49 5.65 -1.26 -1.05 115.29 125.39 1wfq s HIS 45 Ca 0.16 0.92 0.21 0.00 0.25 0.00 0.00 55.06 56.60 1wfq s HIS 45 Cb -0.12 -2.24 1.14 0.00 -1.18 0.00 0.00 32.58 30.18 1wfq s HIS 45 CO 0.05 0.61 1.63 0.00 -0.65 0.00 0.00 174.74 176.37 1wfq h SER 47 N 0.00 0.31 0.25 0.00 0.87 -1.92 -3.31 113.55 109.75 1wfq h SER 47 Ca 0.00 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 1wfq h SER 47 Cb 0.96 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1wfq h SER 47 CO 0.00 1.09 -0.12 1.56 -0.53 0.00 0.00 176.83 178.83 1wfq h GLN 48 N 0.12 -0.32 -6.39 2.24 1.08 0.04 -3.43 115.11 108.45 1wfq h GLN 48 Ca -0.06 0.02 -0.61 0.00 -1.45 0.00 0.00 58.65 56.55 1wfq h GLN 48 Cb 1.58 0.07 0.04 0.00 -0.05 0.00 0.00 27.48 29.13 1wfq h GLN 48 CO 0.15 -0.15 0.83 0.98 -0.95 0.00 0.00 178.83 179.69 1wfq n TYR 49 N -5.20 2.17 -0.01 2.96 9.36 -1.21 -2.41 117.16 122.82 1wfq n TYR 49 Ca -0.09 0.27 -0.16 0.00 3.32 0.00 0.00 57.90 61.23 1wfq n TYR 49 Cb 0.18 -2.54 -0.12 0.00 -0.63 0.00 0.00 39.34 36.23 1wfq n TYR 49 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1wfq h ASN 50 N 6.65 0.30 0.00 2.98 2.35 -1.76 -3.46 115.58 122.65 1wfq h ASN 50 Ca -0.46 -0.84 0.00 0.00 -0.55 0.00 0.00 56.30 54.45 1wfq h ASN 50 Cb 1.27 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.55 1wfq h ASN 50 CO 0.89 1.11 0.00 0.61 -1.65 0.00 0.00 177.43 178.39 1wfq n GLY 51 N 1.25 -3.43 3.00 2.83 0.00 -1.26 -4.98 105.19 102.59 1wfq n GLY 51 Ca -0.11 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 1wfq n GLY 51 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wfq s ASN 52 N -1.97 3.64 0.35 1.61 2.47 -1.26 -5.00 114.94 114.79 1wfq s ASN 52 Ca 0.00 -1.02 0.20 0.00 0.42 0.00 0.00 52.86 52.46 1wfq s ASN 52 Cb 0.00 -1.29 1.27 0.00 -1.45 0.00 0.00 41.25 39.78 1wfq s ASN 52 CO 0.00 -0.16 1.51 0.18 -3.72 0.00 0.00 177.10 174.91 1wfq n LEU 53 N 4.63 0.32 -0.27 3.21 7.99 -1.26 0.82 117.00 132.45 1wfq n LEU 53 Ca -0.14 1.59 0.08 0.00 -0.01 0.00 0.00 56.01 57.52 1wfq n LEU 53 Cb 0.45 -0.77 0.20 0.00 -0.11 0.00 0.00 43.42 43.20 1wfq n LEU 53 CO 0.20 -1.78 0.88 1.56 -1.51 0.00 0.00 177.39 176.74 1wfq h GLN 54 N 0.00 0.16 -0.29 3.23 1.08 -1.99 0.21 115.11 117.52 1wfq h GLN 54 Ca 0.81 -0.01 -0.15 0.00 -1.45 0.00 0.00 58.65 57.85 1wfq h GLN 54 Cb 2.12 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 29.51 1wfq h GLN 54 CO -0.74 0.11 -0.42 0.22 -0.95 0.00 0.00 178.83 177.04 1wfq h ASP 55 N 0.16 0.75 -4.09 1.46 3.58 -0.01 -3.45 116.42 114.83 1wfq h ASP 55 Ca 0.45 -0.35 -0.52 0.00 0.42 0.00 0.00 57.03 57.04 1wfq h ASP 55 Cb 0.84 -0.21 0.20 0.00 1.72 0.00 0.00 39.33 41.88 1wfq h ASP 55 CO -0.64 1.07 0.08 -0.11 -2.88 0.00 0.00 179.24 176.77 1wfq n LEU 56 N -4.03 2.61 -3.48 2.28 7.94 0.75 -5.04 117.00 118.03 1wfq n LEU 56 Ca -0.02 0.39 -0.10 0.00 -1.11 0.00 0.00 56.01 55.17 1wfq n LEU 56 Cb 0.54 -1.43 -0.02 0.00 0.53 0.00 0.00 43.42 43.04 1wfq n LEU 56 CO 0.47 -2.44 0.57 -1.59 -1.11 0.00 0.00 177.39 173.29 1wfq s LYS 57 N -4.47 1.03 0.00 1.96 -2.85 -1.26 -4.98 119.74 109.18 1wfq s LYS 57 Ca 0.65 -0.39 -0.30 0.00 -1.00 0.00 0.00 55.97 54.93 1wfq s LYS 57 Cb -0.23 0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 35.97 1wfq s LYS 57 CO 0.60 -0.45 1.15 0.08 0.10 0.00 0.00 175.35 176.82 1wfq s VAL 58 N -3.39 4.32 0.00 1.79 1.01 -1.26 -3.52 120.40 119.34 1wfq s VAL 58 Ca 0.04 1.65 0.00 0.00 0.00 0.00 0.00 61.98 63.67 1wfq s VAL 58 Cb -0.01 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1wfq s VAL 58 CO -0.10 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.69 1wfq n GLY 59 N 3.20 1.21 3.27 4.51 0.00 -0.32 -4.98 105.19 112.08 1wfq n GLY 59 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1wfq n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wfq s ASP 60 N -2.00 2.81 0.40 1.61 1.11 -1.23 -4.89 116.67 114.48 1wfq s ASP 60 Ca 0.00 -0.44 -0.26 0.00 0.18 0.00 0.00 52.55 52.04 1wfq s ASP 60 Cb 0.00 -0.38 -0.08 0.00 1.07 0.00 0.00 42.92 43.53 1wfq s ASP 60 CO 0.00 0.28 1.24 -1.81 1.18 0.00 0.00 175.17 176.06 1wfq s ASP 61 N -0.50 6.41 -0.11 0.27 1.11 -1.26 -2.57 116.67 120.02 1wfq s ASP 61 Ca 0.07 2.50 -0.17 0.00 0.18 0.00 0.00 52.55 55.13 1wfq s ASP 61 Cb -0.10 -2.63 0.04 0.00 1.07 0.00 0.00 42.92 41.31 1wfq s ASP 61 CO -0.00 -0.77 0.43 0.68 1.18 0.00 0.00 175.17 176.69 1wfq s VAL 62 N -1.33 0.02 -0.14 -1.27 -7.23 -1.24 -3.64 120.40 105.56 1wfq s VAL 62 Ca 0.57 -0.15 -0.07 0.00 -1.81 0.00 0.00 61.98 60.52 1wfq s VAL 62 Cb -0.34 -0.66 -0.04 0.00 0.56 0.00 0.00 36.38 35.89 1wfq s VAL 62 CO 0.44 -0.08 0.12 -0.70 -0.31 0.00 0.00 175.10 174.56 1wfq s GLU 63 N -0.41 3.60 0.32 4.82 2.12 0.96 -2.77 118.70 127.34 1wfq s GLU 63 Ca -0.05 -0.20 -0.05 0.00 0.36 0.00 0.00 54.97 55.03 1wfq s GLU 63 Cb -0.03 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.16 1wfq s GLU 63 CO 0.03 0.62 0.47 -0.59 -0.54 0.00 0.00 175.26 175.26 1wfq s PHE 64 N -0.59 0.91 -0.15 5.30 -0.71 0.59 0.41 117.98 123.74 1wfq s PHE 64 Ca 0.12 -1.19 0.01 0.00 -1.04 0.00 0.00 56.93 54.84 1wfq s PHE 64 Cb -0.12 -0.02 0.02 0.00 -1.21 0.00 0.00 43.02 41.69 1wfq s PHE 64 CO 0.02 -1.11 -0.17 -2.00 -1.34 0.00 0.00 175.22 170.62 1wfq s GLU 65 N -3.22 2.63 -0.05 1.99 2.12 -0.65 0.13 118.70 121.64 1wfq s GLU 65 Ca 0.29 -0.69 -0.30 0.00 0.36 0.00 0.00 54.97 54.63 1wfq s GLU 65 Cb -0.00 -2.28 -0.04 0.00 0.26 0.00 0.00 34.13 32.07 1wfq s GLU 65 CO 0.18 -0.17 1.33 0.08 -0.54 0.00 0.00 175.26 176.14 1wfq s VAL 66 N 1.24 3.96 0.37 3.70 1.01 -1.26 -1.62 120.40 127.81 1wfq s VAL 66 Ca 0.01 1.29 0.04 0.00 0.00 0.00 0.00 61.98 63.33 1wfq s VAL 66 Cb -0.14 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1wfq s VAL 66 CO -0.09 -0.03 0.17 -0.55 0.00 0.00 0.00 175.10 174.60 1wfq s SER 67 N 1.87 2.24 -0.13 3.32 0.15 0.52 -4.94 113.70 116.73 1wfq s SER 67 Ca 0.60 -1.66 -0.02 0.00 0.70 0.00 0.00 55.95 55.57 1wfq s SER 67 Cb -0.28 0.48 -0.03 0.00 -1.71 0.00 0.00 66.02 64.49 1wfq s SER 67 CO 0.23 -0.95 -0.05 -0.44 1.20 0.00 0.00 173.24 173.23 1wfq s SER 68 N -3.50 4.70 1.08 5.45 0.01 -1.26 -0.64 113.70 119.54 1wfq s SER 68 Ca 0.30 -0.11 -0.14 0.00 1.31 0.00 0.00 55.95 57.31 1wfq s SER 68 Cb 0.03 -1.62 0.23 0.00 0.21 0.00 0.00 66.02 64.88 1wfq s SER 68 CO 0.18 0.22 1.08 -0.62 0.41 0.00 0.00 173.24 174.51 1wfq s ASP 69 N 0.04 1.86 0.00 2.44 2.15 -1.01 -4.88 116.67 117.27 1wfq s ASP 69 Ca -0.01 1.10 0.14 0.00 0.43 0.00 0.00 52.55 54.21 1wfq s ASP 69 Cb -0.14 -1.71 0.20 0.00 -0.30 0.00 0.00 42.92 40.98 1wfq s ASP 69 CO 0.03 -3.59 1.06 0.54 -0.17 0.00 0.00 175.17 173.04 1wfq n ARG 70 N -4.47 1.54 -0.01 4.34 5.12 -1.26 -3.23 116.66 118.68 1wfq n ARG 70 Ca 0.06 -1.60 -0.02 0.00 -1.93 0.00 0.00 57.85 54.36 1wfq n ARG 70 Cb 0.57 -1.29 -0.01 0.00 -1.16 0.00 0.00 32.46 30.57 1wfq n ARG 70 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1wfq n ARG 71 N 0.77 0.07 -0.00 5.56 1.74 -1.26 -4.82 116.66 118.72 1wfq n ARG 71 Ca 0.10 0.02 0.01 0.00 -0.77 0.00 0.00 57.85 57.21 1wfq n ARG 71 Cb 0.39 -1.02 -0.01 0.00 -1.02 0.00 0.00 32.46 30.79 1wfq n ARG 71 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1wfq n THR 72 N -2.62 0.00 -1.27 0.55 -2.24 -1.26 -5.00 114.28 102.44 1wfq n THR 72 Ca -0.05 -0.22 -0.09 0.00 -2.27 0.00 0.00 64.05 61.42 1wfq n THR 72 Cb 0.55 0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 69.43 1wfq n THR 72 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wfq n GLY 73 N 1.80 0.98 3.82 3.38 0.00 -1.20 -4.91 105.19 109.06 1wfq n GLY 73 Ca -0.00 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 1wfq n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfq s LYS 74 N -2.56 3.88 -0.58 1.61 -0.14 -1.26 -4.30 119.74 116.38 1wfq s LYS 74 Ca 0.00 1.11 -0.27 0.00 -1.36 0.00 0.00 55.97 55.45 1wfq s LYS 74 Cb 0.00 -2.12 -0.02 0.00 -1.68 0.00 0.00 37.83 34.01 1wfq s LYS 74 CO 0.00 -0.34 1.84 -1.25 -0.76 0.00 0.00 175.35 174.85 1wfq s PRO 75 N -3.71 2.71 0.38 -1.68 0.04 -1.26 -2.42 135.00 129.07 1wfq s PRO 75 Ca 0.62 0.69 0.08 0.00 0.04 0.00 0.00 61.00 62.42 1wfq s PRO 75 Cb -0.12 -4.36 -0.04 0.00 0.04 0.00 0.00 34.50 30.01 1wfq s PRO 75 CO 0.26 -2.63 0.19 0.96 0.04 0.00 0.00 177.00 175.81 1wfq s ILE 76 N 8.80 2.66 0.15 0.56 -4.36 0.18 -4.63 121.20 124.57 1wfq s ILE 76 Ca 0.68 -1.66 -0.06 0.00 -0.26 0.00 0.00 60.65 59.36 1wfq s ILE 76 Cb -0.13 -2.98 -0.06 0.00 1.25 0.00 0.00 42.46 40.54 1wfq s ILE 76 CO 0.22 -0.08 0.40 0.00 0.24 0.00 0.00 174.94 175.72 1wfq s ALA 77 N -2.51 3.76 0.08 2.27 0.00 -1.20 -0.35 121.76 123.81 1wfq s ALA 77 Ca 0.40 -0.51 -0.12 0.00 0.00 0.00 0.00 51.96 51.74 1wfq s ALA 77 Cb 0.00 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.96 1wfq s ALA 77 CO 0.23 0.64 0.27 0.14 0.00 0.00 0.00 175.76 177.04 1wfq s VAL 78 N -1.68 0.11 -1.45 0.00 -7.23 -0.64 -4.44 120.40 105.07 1wfq s VAL 78 Ca 0.42 -0.90 -0.04 0.00 -1.81 0.00 0.00 61.98 59.65 1wfq s VAL 78 Cb -0.12 -1.18 0.03 0.00 0.56 0.00 0.00 36.38 35.67 1wfq s VAL 78 CO 0.24 -0.50 0.55 0.29 -0.31 0.00 0.00 175.10 175.37 1wfq n LYS 79 N 0.10 -3.64 -1.42 4.82 4.76 -1.24 -1.64 118.16 119.89 1wfq n LYS 79 Ca -0.16 0.44 -0.35 0.00 -2.87 0.00 0.00 58.31 55.37 1wfq n LYS 79 Cb 0.62 -4.77 0.10 0.00 -1.84 0.00 0.00 35.03 29.14 1wfq n LYS 79 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1wfq s LEU 80 N -7.01 3.33 -0.29 -0.35 2.96 -1.01 -4.57 118.68 111.74 1wfq s LEU 80 Ca 0.17 2.44 -0.12 0.00 -0.22 0.00 0.00 54.13 56.41 1wfq s LEU 80 Cb -0.09 -4.60 0.12 0.00 0.50 0.00 0.00 46.19 42.12 1wfq s LEU 80 CO 0.88 -2.33 0.67 0.54 -1.32 0.00 0.00 176.35 174.79 1wfq s VAL 81 N -1.85 -0.71 0.03 1.68 0.11 0.17 -2.56 120.40 117.26 1wfq s VAL 81 Ca 0.77 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.51 1wfq s VAL 81 Cb -0.32 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.45 1wfq s VAL 81 CO 0.45 0.00 1.81 -0.75 -3.33 0.00 0.00 175.10 173.29 1wfq s LYS 82 N 2.54 4.16 0.08 1.54 2.20 -1.26 -0.03 119.74 128.96 1wfq s LYS 82 Ca -0.07 2.46 -0.33 0.00 -0.36 0.00 0.00 55.97 57.67 1wfq s LYS 82 Cb -0.10 -3.93 -0.18 0.00 -1.51 0.00 0.00 37.83 32.12 1wfq s LYS 82 CO -0.19 -0.87 1.62 0.82 -0.36 0.00 0.00 175.35 176.36 1wfq h ILE 83 N 5.32 0.29 -3.53 5.43 2.04 -1.89 -3.43 117.51 121.75 1wfq h ILE 83 Ca -0.45 0.00 -0.67 0.00 1.00 0.00 0.00 64.86 64.74 1wfq h ILE 83 Cb 1.21 0.29 -0.27 0.00 -0.74 0.00 0.00 36.82 37.31 1wfq h ILE 83 CO 0.94 0.00 -0.78 -0.44 0.00 0.00 0.00 178.15 177.87 1wfq s SER 84 N -4.41 3.88 0.00 1.72 0.01 -1.26 -4.99 113.70 108.64 1wfq s SER 84 Ca -0.18 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1wfq s SER 84 Cb 0.04 -1.37 0.00 0.00 0.21 0.00 0.00 66.02 64.89 1wfq s SER 84 CO 0.62 0.21 0.00 0.61 0.41 0.00 0.00 173.24 175.09 1wfq n GLY 85 N 3.21 -0.04 3.77 3.44 0.00 -1.26 -5.00 105.19 109.30 1wfq n GLY 85 Ca -0.18 0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1wfq n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfq s PRO 86 N 0.00 3.81 -0.22 1.61 0.04 -1.26 -5.00 135.00 133.98 1wfq s PRO 86 Ca 0.00 1.79 -0.23 0.00 0.04 0.00 0.00 61.00 62.60 1wfq s PRO 86 Cb 0.00 -2.46 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 1wfq s PRO 86 CO 0.00 -0.51 0.76 0.45 0.04 0.00 0.00 177.00 177.74 1wfq s SER 87 N -1.31 6.78 0.01 6.66 0.15 -1.26 -5.03 113.70 119.70 1wfq s SER 87 Ca 0.62 0.96 -0.22 0.00 0.70 0.00 0.00 55.95 58.01 1wfq s SER 87 Cb -0.29 -2.40 0.05 0.00 -1.71 0.00 0.00 66.02 61.66 1wfq s SER 87 CO 0.36 -0.43 0.49 -0.94 1.20 0.00 0.00 173.24 173.92 1wfq s SER 88 N 1.31 -0.41 0.00 5.45 1.04 -1.26 -5.34 113.70 114.49 1wfq s SER 88 Ca 0.33 0.26 0.09 0.00 0.48 0.00 0.00 55.95 57.11 1wfq s SER 88 Cb -0.16 0.45 0.52 0.00 0.10 0.00 0.00 66.02 66.93 1wfq s SER 88 CO 0.09 -0.62 0.97 0.61 0.98 0.00 0.00 173.24 175.27