#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 6.88 0.10 1.61 0.01 -1.26 -4.99 113.70 116.05 1wfq s SER 2 Ca 0.00 -2.55 -0.36 0.00 1.31 0.00 0.00 55.95 54.36 1wfq s SER 2 Cb 0.00 -2.46 -0.17 0.00 0.21 0.00 0.00 66.02 63.60 1wfq s SER 2 CO 0.00 -0.97 1.12 -1.54 0.41 0.00 0.00 173.24 172.26 1wfq n SER 3 N 6.74 0.75 -2.35 2.44 3.41 -1.26 -4.09 113.62 119.26 1wfq n SER 3 Ca 0.37 1.14 -0.01 0.00 -0.26 0.00 0.00 58.87 60.11 1wfq n SER 3 Cb 0.45 -1.09 -0.01 0.00 -0.26 0.00 0.00 64.21 63.31 1wfq n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfq n GLY 4 N 2.00 -4.60 2.37 5.00 0.00 -1.26 -4.84 105.19 103.85 1wfq n GLY 4 Ca 0.18 0.29 -0.34 0.00 0.00 0.00 0.00 46.02 46.15 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 1.89 7.54 -0.00 1.61 3.41 -1.26 -4.54 113.62 122.27 1wfq n SER 5 Ca -0.05 -3.71 -0.17 0.00 -0.26 0.00 0.00 58.87 54.68 1wfq n SER 5 Cb 0.08 -1.01 -0.12 0.00 -0.26 0.00 0.00 64.21 62.91 1wfq n SER 5 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1wfq h SER 6 N 2.10 0.39 0.00 4.04 0.02 -1.93 -3.50 113.55 114.67 1wfq h SER 6 Ca 0.57 -0.80 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1wfq h SER 6 Cb 0.71 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1wfq h SER 6 CO 1.47 1.15 0.00 0.61 -1.14 0.00 0.00 176.83 178.92 1wfq n GLY 7 N 1.16 0.20 0.00 -3.77 0.00 -1.26 -5.11 105.19 96.41 1wfq n GLY 7 Ca -0.11 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 0.77 3.23 -0.02 0.00 -1.26 -5.09 105.19 102.81 1wfq n GLY 8 Ca 0.00 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 1wfq n GLY 8 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wfq s TYR 9 N -3.06 -0.04 0.28 1.61 2.02 -1.26 -4.40 117.35 112.50 1wfq s TYR 9 Ca 0.00 -0.16 0.06 0.00 -0.37 0.00 0.00 57.07 56.60 1wfq s TYR 9 Cb 0.00 0.06 0.40 0.00 -0.40 0.00 0.00 41.96 42.01 1wfq s TYR 9 CO 0.00 -0.50 1.66 -1.00 -1.57 0.00 0.00 175.55 174.14 1wfq h PRO 10 N 3.17 0.24 -6.13 -1.71 0.13 -2.06 -3.49 132.00 122.15 1wfq h PRO 10 Ca -0.32 -0.13 -0.44 0.00 -0.87 0.00 0.00 66.00 64.24 1wfq h PRO 10 Cb 1.20 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.37 1wfq h PRO 10 CO 0.48 0.66 -0.76 0.09 -0.23 0.00 0.00 178.00 178.24 1wfq n ASN 11 N -3.98 -4.28 0.00 1.44 4.13 -1.26 -4.93 115.26 106.38 1wfq n ASN 11 Ca -0.02 -0.73 0.00 0.00 1.68 0.00 0.00 54.58 55.52 1wfq n ASN 11 Cb 0.52 -4.23 0.00 0.00 -1.54 0.00 0.00 39.78 34.52 1wfq n ASN 11 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wfq n GLY 12 N -1.71 1.92 3.74 7.41 0.00 -1.26 -5.08 105.19 110.21 1wfq n GLY 12 Ca -0.05 0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1wfq n GLY 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wfq s THR 13 N 0.00 3.34 -0.88 2.61 2.01 -1.26 -4.98 115.64 116.48 1wfq s THR 13 Ca 0.00 1.13 -0.12 0.00 0.31 0.00 0.00 61.69 63.01 1wfq s THR 13 Cb 0.00 -3.72 0.23 0.00 0.01 0.00 0.00 72.50 69.02 1wfq s THR 13 CO 0.00 0.18 0.83 -0.44 -0.69 0.00 0.00 174.62 174.50 1wfq s SER 14 N 0.18 6.80 0.22 3.53 0.01 -1.26 -5.04 113.70 118.14 1wfq s SER 14 Ca 0.54 -2.91 0.06 0.00 1.31 0.00 0.00 55.95 54.94 1wfq s SER 14 Cb -0.35 -2.19 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 1wfq s SER 14 CO 0.38 -0.49 0.25 0.00 0.41 0.00 0.00 173.24 173.79 1wfq s ALA 15 N -0.18 3.74 1.00 1.44 0.00 -1.26 -5.12 121.76 121.38 1wfq s ALA 15 Ca 0.21 -1.28 -0.14 0.00 0.00 0.00 0.00 51.96 50.75 1wfq s ALA 15 Cb -0.10 -1.51 0.19 0.00 0.00 0.00 0.00 23.12 21.70 1wfq s ALA 15 CO -0.09 0.32 1.14 0.00 0.00 0.00 0.00 175.76 177.14 1wfq s ALA 16 N -1.98 1.36 0.16 0.00 0.00 -1.26 -5.09 121.76 114.95 1wfq s ALA 16 Ca 0.33 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 1wfq s ALA 16 Cb -0.09 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1wfq s ALA 16 CO 0.26 -2.73 0.11 -0.48 0.00 0.00 0.00 175.76 172.92 1wfq s LEU 17 N -6.32 1.48 -0.16 0.00 -0.00 -1.26 -5.14 118.68 107.29 1wfq s LEU 17 Ca 0.67 -1.22 -0.25 0.00 -0.00 0.00 0.00 54.13 53.33 1wfq s LEU 17 Cb -0.13 0.44 -0.02 0.00 -0.00 0.00 0.00 46.19 46.48 1wfq s LEU 17 CO 0.55 -0.79 0.79 -0.13 -0.00 0.00 0.00 176.35 176.77 1wfq s ARG 18 N -4.07 4.31 0.15 1.48 1.81 -1.26 -4.38 118.95 116.98 1wfq s ARG 18 Ca 0.28 0.95 0.01 0.00 -1.72 0.00 0.00 55.73 55.25 1wfq s ARG 18 Cb 0.07 -3.56 -0.04 0.00 -0.45 0.00 0.00 34.95 30.97 1wfq s ARG 18 CO 0.05 -0.26 0.31 -1.21 -0.68 0.00 0.00 175.30 173.50 1wfq s GLU 19 N 1.93 3.47 -0.02 3.54 2.02 0.27 -4.87 118.70 125.04 1wfq s GLU 19 Ca 0.37 -0.50 0.07 0.00 0.02 0.00 0.00 54.97 54.93 1wfq s GLU 19 Cb -0.17 -2.94 -0.02 0.00 0.10 0.00 0.00 34.13 31.11 1wfq s GLU 19 CO 0.13 0.50 -0.22 0.95 0.02 0.00 0.00 175.26 176.64 1wfq s THR 20 N -1.75 1.71 0.00 3.63 -4.23 -1.26 -0.53 115.64 113.20 1wfq s THR 20 Ca 0.36 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 1wfq s THR 20 Cb -0.11 -1.42 0.00 0.00 1.34 0.00 0.00 72.50 72.31 1wfq s THR 20 CO 0.29 0.48 0.00 0.61 -0.54 0.00 0.00 174.62 175.46 1wfq n GLY 21 N 2.57 4.40 3.34 3.99 0.00 -1.15 -3.12 105.19 115.21 1wfq n GLY 21 Ca -0.15 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 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 2.07 0.01 -0.85 1.61 0.11 -0.99 -3.91 120.40 118.44 1wfq s VAL 22 Ca 0.00 -0.05 -0.25 0.00 -2.93 0.00 0.00 61.98 58.75 1wfq s VAL 22 Cb 0.00 -0.64 -0.01 0.00 -1.53 0.00 0.00 36.38 34.21 1wfq s VAL 22 CO 0.00 -0.03 1.72 -0.63 -3.33 0.00 0.00 175.10 172.84 1wfq s ILE 23 N 0.00 3.58 0.11 7.04 -1.09 -1.11 0.19 121.20 129.92 1wfq s ILE 23 Ca -0.02 -0.25 -0.16 0.00 -2.23 0.00 0.00 60.65 57.99 1wfq s ILE 23 Cb -0.03 -4.36 -0.05 0.00 -1.58 0.00 0.00 42.46 36.43 1wfq s ILE 23 CO 0.01 -1.30 1.52 -0.08 -1.23 0.00 0.00 174.94 173.87 1wfq h GLU 24 N 11.53 0.64 -4.08 2.79 4.57 -1.50 0.13 114.58 128.65 1wfq h GLU 24 Ca 0.00 -0.23 -0.13 0.00 -1.18 0.00 0.00 59.36 57.83 1wfq h GLU 24 Cb 1.04 -0.04 -0.16 0.00 -0.16 0.00 0.00 28.75 29.43 1wfq h GLU 24 CO 1.27 0.79 -0.63 0.21 -1.18 0.00 0.00 179.01 179.48 1wfq s LYS 25 N -4.85 0.58 -0.10 1.92 2.36 -0.97 -4.79 119.74 113.89 1wfq s LYS 25 Ca -0.13 -1.01 -0.08 0.00 -2.55 0.00 0.00 55.97 52.20 1wfq s LYS 25 Cb 0.09 0.21 0.03 0.00 -1.05 0.00 0.00 37.83 37.11 1wfq s LYS 25 CO 0.79 -0.12 0.25 -1.17 1.55 0.00 0.00 175.35 176.64 1wfq s LEU 26 N -2.53 0.93 0.00 5.43 2.96 -1.26 0.40 118.68 124.60 1wfq s LEU 26 Ca 0.01 0.50 0.02 0.00 -0.22 0.00 0.00 54.13 54.44 1wfq s LEU 26 Cb 0.03 0.83 -0.01 0.00 0.50 0.00 0.00 46.19 47.54 1wfq s LEU 26 CO -0.08 -0.10 0.07 0.18 -1.32 0.00 0.00 176.35 175.11 1wfq n LEU 27 N 3.20 0.00 0.15 -0.68 4.32 0.31 -4.95 117.00 119.35 1wfq n LEU 27 Ca -0.15 -1.87 0.12 0.00 -0.02 0.00 0.00 56.01 54.09 1wfq n LEU 27 Cb 0.57 0.56 0.24 0.00 -1.62 0.00 0.00 43.42 43.17 1wfq n LEU 27 CO 0.17 -0.29 0.72 0.74 -1.22 0.00 0.00 177.39 177.52 1wfq h THR 28 N 1.37 0.00 0.00 -5.08 2.02 -2.04 -3.35 112.91 105.83 1wfq h THR 28 Ca -0.20 -0.76 -0.31 0.00 0.77 0.00 0.00 66.41 65.91 1wfq h THR 28 Cb 0.73 1.68 -0.05 0.00 -1.74 0.00 0.00 68.15 68.76 1wfq h THR 28 CO 0.32 0.00 -2.16 -1.20 0.37 0.00 0.00 175.52 172.85 1wfq n SER 29 N -2.66 2.37 -1.93 4.18 7.64 -1.26 -5.01 113.62 116.94 1wfq n SER 29 Ca 0.04 -0.08 -0.05 0.00 1.01 0.00 0.00 58.87 59.79 1wfq n SER 29 Cb 0.49 -0.34 0.01 0.00 -1.01 0.00 0.00 64.21 63.36 1wfq n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wfq n TYR 30 N -3.15 -1.54 -3.72 1.43 0.18 -1.26 -3.09 117.16 106.01 1wfq n TYR 30 Ca -0.36 -1.00 -0.10 0.00 1.88 0.00 0.00 57.90 58.32 1wfq n TYR 30 Cb 0.88 0.43 -0.06 0.00 -0.38 0.00 0.00 39.34 40.21 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 -2.06 -0.13 -0.02 -7.48 0.00 0.33 0.12 107.32 98.07 1wfq s GLY 31 Ca 0.10 -0.24 -0.00 0.00 0.00 0.00 0.00 44.72 44.58 1wfq s GLY 31 CO 0.07 -0.47 0.04 -1.36 0.00 0.00 0.00 173.10 171.38 1wfq s PHE 32 N -3.68 3.19 -0.22 1.90 0.40 0.16 -0.03 117.98 119.70 1wfq s PHE 32 Ca 0.03 0.17 0.01 0.00 -0.60 0.00 0.00 56.93 56.53 1wfq s PHE 32 Cb 0.03 -1.73 0.05 0.00 0.51 0.00 0.00 43.02 41.88 1wfq s PHE 32 CO -0.11 0.51 -0.06 0.42 0.70 0.00 0.00 175.22 176.68 1wfq s ILE 33 N -1.09 1.51 -0.82 0.64 1.01 0.09 -1.26 121.20 121.27 1wfq s ILE 33 Ca 0.20 -1.11 -0.25 0.00 0.00 0.00 0.00 60.65 59.49 1wfq s ILE 33 Cb -0.12 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.64 1wfq s ILE 33 CO 0.10 -0.01 1.58 -1.58 0.00 0.00 0.00 174.94 175.03 1wfq s GLN 34 N 1.42 3.06 0.37 2.79 2.00 0.52 0.14 119.66 129.96 1wfq s GLN 34 Ca -0.04 -0.32 -0.22 0.00 -2.00 0.00 0.00 55.36 52.78 1wfq s GLN 34 Cb -0.18 -4.73 -0.16 0.00 0.80 0.00 0.00 33.01 28.75 1wfq s GLN 34 CO -0.07 -2.53 0.17 0.00 -0.50 0.00 0.00 175.29 172.37 1wfq n SER 36 N 2.26 2.14 -0.05 0.00 7.64 -1.18 -3.29 113.62 121.13 1wfq n SER 36 Ca 0.12 -1.57 -0.07 0.00 1.01 0.00 0.00 58.87 58.37 1wfq n SER 36 Cb 0.37 0.08 -0.06 0.00 -1.01 0.00 0.00 64.21 63.59 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 0.68 1.16 -0.01 1.43 1.02 -1.26 -4.63 120.64 119.02 1wfq n GLU 37 Ca 0.08 0.04 0.07 0.00 -0.02 0.00 0.00 57.16 57.33 1wfq n GLU 37 Cb 0.37 -1.24 0.06 0.00 -0.02 0.00 0.00 31.44 30.61 1wfq n GLU 37 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1wfq n ARG 38 N -2.65 0.98 -3.09 3.49 1.85 -1.26 -4.97 116.66 111.00 1wfq n ARG 38 Ca -0.19 -1.35 -0.20 0.00 -1.00 0.00 0.00 57.85 55.11 1wfq n ARG 38 Cb 0.76 -1.26 -0.00 0.00 -1.05 0.00 0.00 32.46 30.90 1wfq n ARG 38 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1wfq n GLN 39 N 0.75 -3.17 -4.65 2.89 10.64 -1.21 -4.94 117.38 117.70 1wfq n GLN 39 Ca 0.08 0.51 -0.31 0.00 -1.83 0.00 0.00 57.00 55.45 1wfq n GLN 39 Cb 0.34 -5.19 -0.12 0.00 -0.86 0.00 0.00 30.24 24.41 1wfq n GLN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1wfq s ALA 40 N -2.84 2.73 -0.51 2.61 0.00 -1.25 -4.88 121.76 117.61 1wfq s ALA 40 Ca 0.28 -1.10 -0.28 0.00 0.00 0.00 0.00 51.96 50.86 1wfq s ALA 40 Cb -0.15 -0.89 0.03 0.00 0.00 0.00 0.00 23.12 22.11 1wfq s ALA 40 CO 0.35 0.58 1.12 1.03 0.00 0.00 0.00 175.76 178.84 1wfq s ARG 41 N -1.30 3.61 0.51 0.00 0.52 -1.26 0.28 118.95 121.31 1wfq s ARG 41 Ca 0.15 0.36 -0.01 0.00 -0.52 0.00 0.00 55.73 55.71 1wfq s ARG 41 Cb -0.11 -3.95 0.01 0.00 0.52 0.00 0.00 34.95 31.42 1wfq s ARG 41 CO 0.05 -1.46 0.76 -0.51 0.02 0.00 0.00 175.30 174.15 1wfq s LEU 42 N 4.50 3.45 -0.25 2.53 1.43 0.12 -4.90 118.68 125.55 1wfq s LEU 42 Ca 0.44 0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.91 1wfq s LEU 42 Cb -0.08 -3.21 0.07 0.00 0.03 0.00 0.00 46.19 43.00 1wfq s LEU 42 CO 0.28 -0.90 -0.05 0.12 0.23 0.00 0.00 176.35 176.04 1wfq s PHE 43 N -2.72 2.67 -0.07 0.29 5.36 -1.26 -0.73 117.98 121.50 1wfq s PHE 43 Ca 0.52 -1.99 -0.02 0.00 -0.96 0.00 0.00 56.93 54.47 1wfq s PHE 43 Cb -0.10 -1.79 -0.04 0.00 -0.34 0.00 0.00 43.02 40.75 1wfq s PHE 43 CO 0.40 -0.82 0.03 -0.59 -1.46 0.00 0.00 175.22 172.79 1wfq s PHE 44 N 1.30 3.24 -0.04 10.12 -0.71 0.95 -2.81 117.98 130.04 1wfq s PHE 44 Ca -0.04 0.24 -0.12 0.00 -1.04 0.00 0.00 56.93 55.97 1wfq s PHE 44 Cb -0.19 -1.80 -0.05 0.00 -1.21 0.00 0.00 43.02 39.77 1wfq s PHE 44 CO -0.07 0.52 0.33 -1.58 -1.34 0.00 0.00 175.22 173.08 1wfq s HIS 45 N -0.97 3.68 0.65 3.49 2.46 -1.26 -0.52 115.29 122.83 1wfq s HIS 45 Ca 0.15 0.85 0.26 0.00 0.47 0.00 0.00 55.06 56.79 1wfq s HIS 45 Cb -0.12 -2.19 1.37 0.00 -0.13 0.00 0.00 32.58 31.51 1wfq s HIS 45 CO 0.05 0.66 1.78 0.00 -2.47 0.00 0.00 174.74 174.75 1wfq h SER 47 N 0.00 0.08 -0.04 0.00 0.87 -1.93 -3.28 113.55 109.25 1wfq h SER 47 Ca 0.04 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1wfq h SER 47 Cb 0.97 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1wfq h SER 47 CO -0.00 0.85 0.02 1.56 -0.53 0.00 0.00 176.83 178.73 1wfq h GLN 48 N 0.03 0.07 -6.34 2.24 1.08 -0.06 -3.44 115.11 108.68 1wfq h GLN 48 Ca -0.02 -0.01 -0.61 0.00 -1.45 0.00 0.00 58.65 56.56 1wfq h GLN 48 Cb 1.42 -0.01 0.13 0.00 -0.05 0.00 0.00 27.48 28.97 1wfq h GLN 48 CO 0.11 0.18 -0.20 0.98 -0.95 0.00 0.00 178.83 178.95 1wfq n TYR 49 N -4.98 0.22 -0.02 2.96 9.36 -1.22 -2.31 117.16 121.17 1wfq n TYR 49 Ca -0.07 0.70 -0.22 0.00 3.32 0.00 0.00 57.90 61.63 1wfq n TYR 49 Cb 0.10 -2.09 -0.13 0.00 -0.63 0.00 0.00 39.34 36.58 1wfq n TYR 49 CO 0.00 0.00 0.00 -2.95 0.22 0.00 0.00 176.86 174.13 1wfq h ASN 50 N 1.29 0.31 0.00 2.98 -1.07 -1.57 -3.45 115.58 114.07 1wfq h ASN 50 Ca -0.38 -0.82 0.00 0.00 0.07 0.00 0.00 56.30 55.17 1wfq h ASN 50 Cb 1.38 -0.10 0.00 0.00 -2.07 0.00 0.00 38.32 37.53 1wfq h ASN 50 CO 0.56 1.70 0.00 0.61 0.07 0.00 0.00 177.43 180.37 1wfq n GLY 51 N 1.78 -0.08 3.61 9.14 0.00 -1.26 -5.03 105.19 113.36 1wfq n GLY 51 Ca -0.30 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.04 5.99 0.46 1.61 2.47 -1.26 -4.96 114.94 118.21 1wfq s ASN 52 Ca 0.00 0.03 0.31 0.00 0.42 0.00 0.00 52.86 53.63 1wfq s ASN 52 Cb 0.00 -2.09 1.42 0.00 -1.45 0.00 0.00 41.25 39.13 1wfq s ASN 52 CO 0.00 0.01 1.67 -0.07 -3.72 0.00 0.00 177.10 174.99 1wfq h LEU 53 N 7.92 0.22 -0.77 3.21 -0.00 -1.91 0.30 115.31 124.27 1wfq h LEU 53 Ca -0.37 0.09 0.18 0.00 -0.00 0.00 0.00 57.88 57.78 1wfq h LEU 53 Cb 1.18 0.07 -0.12 0.00 -0.00 0.00 0.00 40.66 41.79 1wfq h LEU 53 CO 0.60 -0.08 0.19 1.56 -0.00 0.00 0.00 178.44 180.71 1wfq h GLN 54 N 0.12 0.25 -0.35 1.13 1.08 -2.02 0.13 115.11 115.45 1wfq h GLN 54 Ca 0.76 -0.02 -0.13 0.00 -1.45 0.00 0.00 58.65 57.81 1wfq h GLN 54 Cb 2.49 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 29.85 1wfq h GLN 54 CO -0.28 0.17 -0.31 0.22 -0.95 0.00 0.00 178.83 177.67 1wfq h ASP 55 N 0.26 0.79 -4.10 1.46 1.82 -0.81 -3.44 116.42 112.40 1wfq h ASP 55 Ca 0.45 -0.32 -0.50 0.00 -0.39 0.00 0.00 57.03 56.27 1wfq h ASP 55 Cb 0.80 -0.22 0.08 0.00 0.68 0.00 0.00 39.33 40.66 1wfq h ASP 55 CO -0.55 1.04 0.43 -0.22 -1.61 0.00 0.00 179.24 178.33 1wfq s LEU 56 N -8.79 3.71 0.29 2.28 2.96 0.44 -5.05 118.68 114.52 1wfq s LEU 56 Ca -0.09 2.16 -0.11 0.00 -0.22 0.00 0.00 54.13 55.87 1wfq s LEU 56 Cb 0.12 -4.58 0.01 0.00 0.50 0.00 0.00 46.19 42.24 1wfq s LEU 56 CO 0.84 -1.26 0.53 -1.59 -1.32 0.00 0.00 176.35 173.55 1wfq s LYS 57 N -3.36 1.72 -0.13 1.98 -2.85 -1.26 -4.93 119.74 110.91 1wfq s LYS 57 Ca 0.72 -1.37 -0.26 0.00 -1.00 0.00 0.00 55.97 54.06 1wfq s LYS 57 Cb -0.24 0.49 -0.02 0.00 -2.06 0.00 0.00 37.83 36.00 1wfq s LYS 57 CO 0.28 -0.73 0.83 0.08 0.10 0.00 0.00 175.35 175.91 1wfq s VAL 58 N -3.60 4.91 0.00 1.79 1.01 -1.26 -3.81 120.40 119.45 1wfq s VAL 58 Ca 0.23 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.86 1wfq s VAL 58 Cb -0.01 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.22 1wfq s VAL 58 CO 0.12 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.92 1wfq n GLY 59 N 3.31 1.30 3.28 4.51 0.00 0.44 -4.99 105.19 113.03 1wfq n GLY 59 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 2.66 0.35 1.61 1.11 -1.25 -4.89 116.67 114.26 1wfq s ASP 60 Ca 0.00 -0.57 -0.27 0.00 0.18 0.00 0.00 52.55 51.89 1wfq s ASP 60 Cb 0.00 -0.21 -0.09 0.00 1.07 0.00 0.00 42.92 43.68 1wfq s ASP 60 CO 0.00 0.17 1.19 -1.81 1.18 0.00 0.00 175.17 175.90 1wfq s ASP 61 N -1.33 6.77 -0.12 0.27 1.11 -1.26 -2.75 116.67 119.36 1wfq s ASP 61 Ca 0.09 2.42 -0.20 0.00 0.18 0.00 0.00 52.55 55.04 1wfq s ASP 61 Cb -0.09 -2.63 0.05 0.00 1.07 0.00 0.00 42.92 41.32 1wfq s ASP 61 CO 0.02 -0.51 0.49 0.68 1.18 0.00 0.00 175.17 177.04 1wfq s VAL 62 N -1.28 0.01 -0.16 -1.27 -7.23 -1.25 -3.79 120.40 105.43 1wfq s VAL 62 Ca 0.52 -0.12 -0.08 0.00 -1.81 0.00 0.00 61.98 60.48 1wfq s VAL 62 Cb -0.33 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.82 1wfq s VAL 62 CO 0.43 -0.07 0.12 -0.70 -0.31 0.00 0.00 175.10 174.57 1wfq s GLU 63 N -0.44 3.81 0.31 4.82 2.12 0.11 -2.95 118.70 126.48 1wfq s GLU 63 Ca -0.06 -0.20 -0.00 0.00 0.36 0.00 0.00 54.97 55.07 1wfq s GLU 63 Cb -0.03 -3.28 -0.01 0.00 0.26 0.00 0.00 34.13 31.06 1wfq s GLU 63 CO 0.04 0.51 0.37 -0.59 -0.54 0.00 0.00 175.26 175.05 1wfq s PHE 64 N -0.26 1.22 -0.20 5.30 -0.12 0.31 0.29 117.98 124.52 1wfq s PHE 64 Ca 0.11 -1.36 0.01 0.00 -0.05 0.00 0.00 56.93 55.63 1wfq s PHE 64 Cb -0.12 -0.31 0.03 0.00 -0.63 0.00 0.00 43.02 41.99 1wfq s PHE 64 CO 0.01 -0.98 -0.17 -2.00 -0.05 0.00 0.00 175.22 172.03 1wfq s GLU 65 N -3.41 2.85 -0.14 1.99 2.12 -0.77 0.96 118.70 122.30 1wfq s GLU 65 Ca 0.34 -0.93 -0.29 0.00 0.36 0.00 0.00 54.97 54.44 1wfq s GLU 65 Cb 0.01 -2.66 -0.03 0.00 0.26 0.00 0.00 34.13 31.72 1wfq s GLU 65 CO 0.20 -0.29 1.46 0.08 -0.54 0.00 0.00 175.26 176.17 1wfq s VAL 66 N 1.26 3.94 0.40 3.70 1.01 -1.26 -1.82 120.40 127.62 1wfq s VAL 66 Ca 0.02 1.12 0.05 0.00 0.00 0.00 0.00 61.98 63.17 1wfq s VAL 66 Cb -0.15 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1wfq s VAL 66 CO -0.11 -0.15 0.17 -0.55 0.00 0.00 0.00 175.10 174.46 1wfq s SER 67 N 2.82 2.64 -0.15 3.32 0.15 0.57 -4.95 113.70 118.10 1wfq s SER 67 Ca 0.64 -1.72 -0.01 0.00 0.70 0.00 0.00 55.95 55.56 1wfq s SER 67 Cb -0.26 0.57 -0.01 0.00 -1.71 0.00 0.00 66.02 64.61 1wfq s SER 67 CO 0.22 -0.99 -0.12 -0.44 1.20 0.00 0.00 173.24 173.11 1wfq s SER 68 N -3.58 3.97 1.17 5.45 0.01 -1.26 -0.39 113.70 119.08 1wfq s SER 68 Ca 0.26 -0.36 -0.13 0.00 1.31 0.00 0.00 55.95 57.03 1wfq s SER 68 Cb 0.02 -1.62 0.28 0.00 0.21 0.00 0.00 66.02 64.92 1wfq s SER 68 CO 0.17 0.13 1.03 -0.62 0.41 0.00 0.00 173.24 174.36 1wfq s ASP 69 N 0.58 1.00 -0.01 2.44 2.15 -0.91 -4.87 116.67 117.05 1wfq s ASP 69 Ca -0.08 1.42 0.20 0.00 0.43 0.00 0.00 52.55 54.52 1wfq s ASP 69 Cb -0.16 -2.20 -0.24 0.00 -0.30 0.00 0.00 42.92 40.02 1wfq s ASP 69 CO 0.03 -4.17 0.74 0.54 -0.17 0.00 0.00 175.17 172.13 1wfq n ARG 70 N -4.89 0.54 -0.08 4.34 3.00 -1.26 -3.21 116.66 115.10 1wfq n ARG 70 Ca 0.03 -0.05 -0.08 0.00 -0.01 0.00 0.00 57.85 57.74 1wfq n ARG 70 Cb 0.55 -1.44 -0.03 0.00 0.00 0.00 0.00 32.46 31.54 1wfq n ARG 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1wfq n ARG 71 N -1.65 0.49 0.05 5.56 5.12 -1.26 -4.71 116.66 120.27 1wfq n ARG 71 Ca 0.02 0.19 0.11 0.00 -1.93 0.00 0.00 57.85 56.25 1wfq n ARG 71 Cb 0.36 -1.36 -0.07 0.00 -1.16 0.00 0.00 32.46 30.23 1wfq n ARG 71 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1wfq n THR 72 N -4.32 0.34 -1.11 0.55 -2.24 -1.26 -4.96 114.28 101.28 1wfq n THR 72 Ca -0.13 -0.51 -0.04 0.00 -2.27 0.00 0.00 64.05 61.11 1wfq n THR 72 Cb 0.48 -0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.54 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 1.23 0.53 3.81 3.38 0.00 -1.20 -4.93 105.19 108.02 1wfq n GLY 73 Ca -0.01 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.73 3.58 -0.67 1.61 -0.14 -1.26 -4.23 119.74 116.90 1wfq s LYS 74 Ca 0.00 1.18 -0.26 0.00 -1.36 0.00 0.00 55.97 55.53 1wfq s LYS 74 Cb 0.00 -2.07 -0.03 0.00 -1.68 0.00 0.00 37.83 34.05 1wfq s LYS 74 CO 0.00 -0.59 1.88 -1.25 -0.76 0.00 0.00 175.35 174.62 1wfq s PRO 75 N -3.87 2.61 0.34 -1.68 0.04 -1.26 -2.14 135.00 129.04 1wfq s PRO 75 Ca 0.63 0.44 0.08 0.00 0.04 0.00 0.00 61.00 62.19 1wfq s PRO 75 Cb -0.15 -4.51 -0.04 0.00 0.04 0.00 0.00 34.50 29.85 1wfq s PRO 75 CO 0.31 -2.85 0.20 0.96 0.04 0.00 0.00 177.00 175.66 1wfq s ILE 76 N 9.25 3.24 0.08 0.56 -4.36 0.48 -4.56 121.20 125.89 1wfq s ILE 76 Ca 0.68 -1.57 -0.06 0.00 -0.26 0.00 0.00 60.65 59.44 1wfq s ILE 76 Cb -0.11 -3.06 -0.05 0.00 1.25 0.00 0.00 42.46 40.48 1wfq s ILE 76 CO 0.17 -0.18 0.33 0.00 0.24 0.00 0.00 174.94 175.50 1wfq s ALA 77 N -2.38 3.82 0.19 2.27 0.00 -1.12 -0.31 121.76 124.22 1wfq s ALA 77 Ca 0.39 -0.56 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 1wfq s ALA 77 Cb -0.04 -2.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 1wfq s ALA 77 CO 0.24 0.66 0.20 0.14 0.00 0.00 0.00 175.76 177.00 1wfq s VAL 78 N -1.48 0.04 -1.46 0.00 -7.23 -0.76 -4.32 120.40 105.18 1wfq s VAL 78 Ca 0.35 -1.77 -0.07 0.00 -1.81 0.00 0.00 61.98 58.68 1wfq s VAL 78 Cb -0.13 -2.23 0.01 0.00 0.56 0.00 0.00 36.38 34.59 1wfq s VAL 78 CO 0.21 -0.16 0.19 0.29 -0.31 0.00 0.00 175.10 175.32 1wfq n LYS 79 N -0.24 -1.09 -1.82 4.82 4.76 -1.22 -1.85 118.16 121.51 1wfq n LYS 79 Ca -0.02 0.13 -0.36 0.00 -2.87 0.00 0.00 58.31 55.19 1wfq n LYS 79 Cb 0.64 -3.50 0.05 0.00 -1.84 0.00 0.00 35.03 30.39 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 -7.34 3.56 -0.29 -0.35 2.96 -0.98 -4.53 118.68 111.71 1wfq s LEU 80 Ca 0.10 2.40 -0.12 0.00 -0.22 0.00 0.00 54.13 56.29 1wfq s LEU 80 Cb -0.06 -4.60 0.12 0.00 0.50 0.00 0.00 46.19 42.15 1wfq s LEU 80 CO 0.98 -1.82 0.70 0.54 -1.32 0.00 0.00 176.35 175.43 1wfq s VAL 81 N -1.69 -0.62 0.22 1.68 0.11 0.15 -1.53 120.40 118.72 1wfq s VAL 81 Ca 0.77 0.00 -0.32 0.00 -2.93 0.00 0.00 61.98 59.50 1wfq s VAL 81 Cb -0.31 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.42 1wfq s VAL 81 CO 0.37 0.00 1.64 1.17 -3.33 0.00 0.00 175.10 174.95 1wfq n LYS 82 N 5.00 2.58 0.10 1.54 4.81 -1.26 0.07 118.16 130.99 1wfq n LYS 82 Ca -0.14 0.92 -0.13 0.00 -0.87 0.00 0.00 58.31 58.09 1wfq n LYS 82 Cb 0.53 -2.72 -0.08 0.00 0.02 0.00 0.00 35.03 32.77 1wfq n LYS 82 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1wfq h ILE 83 N 3.58 0.88 -0.49 3.15 2.04 -1.89 -3.45 117.51 121.33 1wfq h ILE 83 Ca -0.45 -0.75 -0.60 0.00 1.00 0.00 0.00 64.86 64.06 1wfq h ILE 83 Cb 1.22 1.30 -0.07 0.00 -0.74 0.00 0.00 36.82 38.54 1wfq h ILE 83 CO 0.88 0.16 -0.34 -0.55 0.00 0.00 0.00 178.15 178.30 1wfq s SER 84 N -5.27 4.53 0.00 1.72 0.15 -1.26 -5.06 113.70 108.51 1wfq s SER 84 Ca -0.14 -1.34 0.00 0.00 0.70 0.00 0.00 55.95 55.17 1wfq s SER 84 Cb 0.02 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1wfq s SER 84 CO 0.57 -1.07 0.00 0.61 1.20 0.00 0.00 173.24 174.55 1wfq n GLY 85 N -1.68 2.55 3.61 9.45 0.00 -1.26 -5.10 105.19 112.76 1wfq n GLY 85 Ca -0.05 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.21 -0.96 -0.10 1.61 0.04 -1.26 -5.07 135.00 129.06 1wfq s PRO 86 Ca 0.00 0.03 0.03 0.00 0.04 0.00 0.00 61.00 61.09 1wfq s PRO 86 Cb 0.00 -1.62 0.01 0.00 0.04 0.00 0.00 34.50 32.93 1wfq s PRO 86 CO 0.00 -3.55 -0.18 -1.12 0.04 0.00 0.00 177.00 172.18 1wfq s SER 87 N -3.82 2.56 -0.11 6.66 0.01 -1.26 -5.04 113.70 112.70 1wfq s SER 87 Ca 0.70 -0.46 -0.10 0.00 1.31 0.00 0.00 55.95 57.41 1wfq s SER 87 Cb -0.11 -1.17 -0.03 0.00 0.21 0.00 0.00 66.02 64.92 1wfq s SER 87 CO 0.56 0.08 -0.19 -0.24 0.41 0.00 0.00 173.24 173.87 1wfq n SER 88 N 3.82 1.31 0.00 2.44 2.88 -1.26 -5.39 113.62 117.42 1wfq n SER 88 Ca -0.20 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1wfq n SER 88 Cb 0.52 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 1wfq n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42