#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 3.27 0.20 1.61 1.04 -1.26 -5.04 113.70 113.52 1wfq s SER 2 Ca 0.00 -1.31 -0.11 0.00 0.48 0.00 0.00 55.95 55.02 1wfq s SER 2 Cb 0.00 -0.27 0.26 0.00 0.10 0.00 0.00 66.02 66.11 1wfq s SER 2 CO 0.00 -0.43 1.72 -1.28 0.98 0.00 0.00 173.24 174.23 1wfq h SER 3 N 2.00 0.05 -1.90 7.02 0.87 -2.08 -3.47 113.55 116.03 1wfq h SER 3 Ca -0.42 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1wfq h SER 3 Cb 1.24 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1wfq h SER 3 CO 0.74 0.04 0.00 0.61 -0.53 0.00 0.00 176.83 177.69 1wfq n GLY 4 N -1.30 2.95 3.43 5.77 0.00 -1.26 -5.02 105.19 109.75 1wfq n GLY 4 Ca 0.08 -1.33 -0.44 0.00 0.00 0.00 0.00 46.02 44.32 1wfq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfq s SER 5 N 0.00 7.05 -0.20 1.61 0.01 -1.26 -4.96 113.70 115.94 1wfq s SER 5 Ca 0.00 -2.97 0.01 0.00 1.31 0.00 0.00 55.95 54.30 1wfq s SER 5 Cb 0.00 -2.36 0.04 0.00 0.21 0.00 0.00 66.02 63.91 1wfq s SER 5 CO 0.00 -0.69 -0.13 -0.94 0.41 0.00 0.00 173.24 171.88 1wfq s SER 6 N 2.63 3.49 0.58 2.44 1.04 -1.26 -5.07 113.70 117.55 1wfq s SER 6 Ca 0.38 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1wfq s SER 6 Cb -0.05 -1.36 0.00 0.00 0.10 0.00 0.00 66.02 64.71 1wfq s SER 6 CO -0.03 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.69 1wfq n GLY 7 N 4.62 -0.56 0.00 7.32 0.00 -1.26 -4.94 105.19 110.37 1wfq n GLY 7 Ca -0.16 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.06 2.19 3.22 -0.02 0.00 -1.26 -5.01 105.19 104.26 1wfq n GLY 8 Ca 0.00 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 1wfq n GLY 8 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1wfq s TYR 9 N 0.00 -0.09 0.64 1.61 -0.85 -1.26 -4.09 117.35 113.31 1wfq s TYR 9 Ca 0.00 0.02 -0.16 0.00 -0.52 0.00 0.00 57.07 56.42 1wfq s TYR 9 Cb 0.00 0.06 -0.01 0.00 0.38 0.00 0.00 41.96 42.39 1wfq s TYR 9 CO 0.00 -0.43 1.11 -1.25 -1.52 0.00 0.00 175.55 173.46 1wfq s PRO 10 N -2.01 2.90 0.17 -3.49 0.04 -1.26 -5.14 135.00 126.21 1wfq s PRO 10 Ca -0.09 1.43 -0.07 0.00 0.04 0.00 0.00 61.00 62.31 1wfq s PRO 10 Cb -0.03 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.49 1wfq s PRO 10 CO -0.00 -1.17 0.45 1.21 0.04 0.00 0.00 177.00 177.52 1wfq s ASN 11 N -2.43 6.56 -0.32 6.66 3.04 -1.26 -5.08 114.94 122.12 1wfq s ASN 11 Ca 0.68 0.74 -0.00 0.00 0.04 0.00 0.00 52.86 54.32 1wfq s ASN 11 Cb -0.21 -2.15 0.10 0.00 -1.54 0.00 0.00 41.25 37.45 1wfq s ASN 11 CO 0.39 0.01 0.10 -0.83 -3.04 0.00 0.00 177.10 173.73 1wfq s GLY 12 N -2.34 1.14 -0.12 1.21 0.00 -1.26 -4.98 107.32 100.97 1wfq s GLY 12 Ca 0.43 -1.75 -0.13 0.00 0.00 0.00 0.00 44.72 43.27 1wfq s GLY 12 CO 0.23 1.58 -0.25 -1.30 0.00 0.00 0.00 173.10 173.36 1wfq n THR 13 N 4.77 1.21 -3.16 0.90 -2.24 -1.26 -5.01 114.28 109.49 1wfq n THR 13 Ca -0.01 0.22 -0.32 0.00 -2.27 0.00 0.00 64.05 61.66 1wfq n THR 13 Cb 0.42 -2.10 -0.06 0.00 -2.10 0.00 0.00 70.33 66.48 1wfq n THR 13 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wfq s SER 14 N -5.62 6.77 0.00 3.42 0.01 -1.26 -4.99 113.70 112.03 1wfq s SER 14 Ca -0.21 1.25 0.18 0.00 1.31 0.00 0.00 55.95 58.48 1wfq s SER 14 Cb 0.03 -2.36 -0.16 0.00 0.21 0.00 0.00 66.02 63.74 1wfq s SER 14 CO 0.31 -0.19 0.79 0.00 0.41 0.00 0.00 173.24 174.56 1wfq n ALA 15 N -0.32 4.12 -1.89 1.44 0.00 -1.26 -4.96 120.51 117.65 1wfq n ALA 15 Ca 0.03 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.53 1wfq n ALA 15 Cb 0.53 -0.65 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 1wfq n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wfq s ALA 16 N -2.57 3.64 -0.15 0.00 0.00 -1.26 -4.99 121.76 116.44 1wfq s ALA 16 Ca 0.08 1.15 0.01 0.00 0.00 0.00 0.00 51.96 53.21 1wfq s ALA 16 Cb 0.14 -3.75 0.01 0.00 0.00 0.00 0.00 23.12 19.51 1wfq s ALA 16 CO 0.68 -1.33 -0.19 -1.17 0.00 0.00 0.00 175.76 173.75 1wfq s LEU 17 N 3.59 2.26 0.02 0.00 1.98 -1.26 -5.11 118.68 120.16 1wfq s LEU 17 Ca 0.77 -0.55 -0.25 0.00 -2.89 0.00 0.00 54.13 51.22 1wfq s LEU 17 Cb -0.38 -1.50 -0.05 0.00 0.66 0.00 0.00 46.19 44.92 1wfq s LEU 17 CO 0.34 0.08 0.75 -0.13 -1.89 0.00 0.00 176.35 175.50 1wfq s ARG 18 N 0.85 4.48 0.14 1.98 1.81 -1.26 -4.47 118.95 122.47 1wfq s ARG 18 Ca -0.06 1.03 0.07 0.00 -1.72 0.00 0.00 55.73 55.05 1wfq s ARG 18 Cb -0.15 -3.38 -0.04 0.00 -0.45 0.00 0.00 34.95 30.92 1wfq s ARG 18 CO -0.02 0.23 -0.01 -1.21 -0.68 0.00 0.00 175.30 173.61 1wfq s GLU 19 N 0.16 2.41 0.09 3.54 2.02 0.13 -4.92 118.70 122.14 1wfq s GLU 19 Ca 0.39 -1.02 0.09 0.00 0.02 0.00 0.00 54.97 54.45 1wfq s GLU 19 Cb -0.20 -2.41 -0.03 0.00 0.10 0.00 0.00 34.13 31.59 1wfq s GLU 19 CO 0.22 0.49 -0.23 0.95 0.02 0.00 0.00 175.26 176.71 1wfq s THR 20 N -1.54 1.89 0.00 3.63 -4.23 -1.26 -0.74 115.64 113.39 1wfq s THR 20 Ca 0.26 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 1wfq s THR 20 Cb -0.10 -1.68 0.00 0.00 1.34 0.00 0.00 72.50 72.06 1wfq s THR 20 CO 0.18 0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.94 1wfq n GLY 21 N 1.24 3.96 3.51 3.99 0.00 -1.20 -3.05 105.19 113.65 1wfq n GLY 21 Ca -0.18 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.72 1.61 0.11 -0.98 -4.23 120.40 118.24 1wfq s VAL 22 Ca 0.00 0.03 -0.26 0.00 -2.93 0.00 0.00 61.98 58.82 1wfq s VAL 22 Cb 0.00 -0.86 -0.11 0.00 -1.53 0.00 0.00 36.38 33.88 1wfq s VAL 22 CO 0.00 0.01 2.36 -0.63 -3.33 0.00 0.00 175.10 173.51 1wfq s ILE 23 N 1.45 3.05 0.11 7.04 -1.09 -0.80 0.44 121.20 131.41 1wfq s ILE 23 Ca -0.09 -0.03 -0.13 0.00 -2.23 0.00 0.00 60.65 58.17 1wfq s ILE 23 Cb -0.06 -3.12 -0.10 0.00 -1.58 0.00 0.00 42.46 37.60 1wfq s ILE 23 CO -0.16 -0.11 1.39 -0.08 -1.23 0.00 0.00 174.94 174.75 1wfq h GLU 24 N 14.31 0.80 -3.67 2.79 4.57 -1.74 0.29 114.58 131.94 1wfq h GLU 24 Ca -0.06 -0.50 -0.13 0.00 -1.18 0.00 0.00 59.36 57.49 1wfq h GLU 24 Cb 1.07 0.06 -0.19 0.00 -0.16 0.00 0.00 28.75 29.53 1wfq h GLU 24 CO 1.06 1.13 -0.50 0.21 -1.18 0.00 0.00 179.01 179.74 1wfq s LYS 25 N -4.13 0.56 -0.08 1.92 2.36 -1.07 -4.81 119.74 114.48 1wfq s LYS 25 Ca -0.11 -0.61 -0.06 0.00 -2.55 0.00 0.00 55.97 52.64 1wfq s LYS 25 Cb 0.09 0.23 0.03 0.00 -1.05 0.00 0.00 37.83 37.13 1wfq s LYS 25 CO 0.87 -0.14 0.21 -1.17 1.55 0.00 0.00 175.35 176.67 1wfq s LEU 26 N -1.84 0.97 0.00 5.43 2.96 -1.26 0.51 118.68 125.45 1wfq s LEU 26 Ca -0.09 0.44 0.02 0.00 -0.22 0.00 0.00 54.13 54.28 1wfq s LEU 26 Cb -0.04 0.70 -0.01 0.00 0.50 0.00 0.00 46.19 47.34 1wfq s LEU 26 CO -0.02 -0.10 0.07 0.18 -1.32 0.00 0.00 176.35 175.15 1wfq n LEU 27 N 3.37 0.00 0.08 -0.68 4.32 0.18 -4.95 117.00 119.32 1wfq n LEU 27 Ca -0.17 -1.55 -0.07 0.00 -0.02 0.00 0.00 56.01 54.20 1wfq n LEU 27 Cb 0.57 0.48 -0.05 0.00 -1.62 0.00 0.00 43.42 42.80 1wfq n LEU 27 CO 0.18 -0.24 0.21 0.74 -1.22 0.00 0.00 177.39 177.06 1wfq h THR 28 N 1.32 1.60 0.09 -5.08 2.02 -2.03 -3.34 112.91 107.47 1wfq h THR 28 Ca -0.16 -2.99 -0.31 0.00 0.77 0.00 0.00 66.41 63.72 1wfq h THR 28 Cb 0.61 2.65 -0.02 0.00 -1.74 0.00 0.00 68.15 69.65 1wfq h THR 28 CO 0.26 0.86 -1.67 -1.28 0.37 0.00 0.00 175.52 174.06 1wfq h SER 29 N 0.03 0.28 -2.63 4.18 0.87 -2.01 -3.49 113.55 110.79 1wfq h SER 29 Ca -0.03 -0.80 0.01 0.00 -1.23 0.00 0.00 61.79 59.75 1wfq h SER 29 Cb 1.61 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.48 1wfq h SER 29 CO 0.13 1.71 0.31 0.00 -0.53 0.00 0.00 176.83 178.44 1wfq n TYR 30 N -3.86 -1.99 -4.05 2.24 0.18 -1.26 -3.09 117.16 105.33 1wfq n TYR 30 Ca -0.31 -1.51 -0.10 0.00 1.88 0.00 0.00 57.90 57.86 1wfq n TYR 30 Cb 0.91 0.75 -0.08 0.00 -0.38 0.00 0.00 39.34 40.54 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 -2.91 0.76 0.07 -7.48 0.00 -0.40 0.47 107.32 97.83 1wfq s GLY 31 Ca 0.15 -1.18 0.05 0.00 0.00 0.00 0.00 44.72 43.74 1wfq s GLY 31 CO 0.09 -1.07 -0.02 -1.36 0.00 0.00 0.00 173.10 170.75 1wfq s PHE 32 N -4.02 2.96 -0.16 1.90 0.40 0.18 -0.46 117.98 118.79 1wfq s PHE 32 Ca 0.22 -0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.52 1wfq s PHE 32 Cb 0.05 -1.55 0.03 0.00 0.51 0.00 0.00 43.02 42.07 1wfq s PHE 32 CO 0.03 0.46 -0.09 0.42 0.70 0.00 0.00 175.22 176.73 1wfq s ILE 33 N -1.25 1.37 -0.92 0.64 1.01 0.68 -2.05 121.20 120.68 1wfq s ILE 33 Ca 0.24 -0.68 -0.21 0.00 0.00 0.00 0.00 60.65 60.00 1wfq s ILE 33 Cb -0.12 -1.42 0.09 0.00 0.01 0.00 0.00 42.46 41.03 1wfq s ILE 33 CO 0.16 0.27 1.22 -1.58 0.00 0.00 0.00 174.94 175.01 1wfq s GLN 34 N 1.54 3.53 0.38 2.79 2.00 0.17 0.42 119.66 130.49 1wfq s GLN 34 Ca 0.02 -1.38 -0.23 0.00 -2.00 0.00 0.00 55.36 51.77 1wfq s GLN 34 Cb -0.14 -4.96 -0.15 0.00 0.80 0.00 0.00 33.01 28.56 1wfq s GLN 34 CO -0.09 -1.94 0.31 0.00 -0.50 0.00 0.00 175.29 173.08 1wfq n SER 36 N 1.91 1.90 -0.09 0.00 7.64 -1.17 -3.09 113.62 120.72 1wfq n SER 36 Ca 0.12 -1.45 -0.13 0.00 1.01 0.00 0.00 58.87 58.42 1wfq n SER 36 Cb 0.38 0.39 -0.08 0.00 -1.01 0.00 0.00 64.21 63.89 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 0.11 0.43 0.00 1.43 1.02 -1.26 -4.59 120.64 117.77 1wfq n GLU 37 Ca 0.08 0.11 0.10 0.00 -0.02 0.00 0.00 57.16 57.43 1wfq n GLU 37 Cb 0.40 -1.32 0.03 0.00 -0.02 0.00 0.00 31.44 30.53 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 -3.11 1.62 -4.12 3.49 1.85 -1.26 -4.98 116.66 110.15 1wfq n ARG 38 Ca -0.32 -1.26 -0.33 0.00 -1.00 0.00 0.00 57.85 54.94 1wfq n ARG 38 Cb 0.82 -1.41 -0.02 0.00 -1.05 0.00 0.00 32.46 30.80 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 0.44 -3.42 -5.15 2.89 10.64 -1.18 -4.95 117.38 116.66 1wfq n GLN 39 Ca 0.10 0.40 -0.30 0.00 -1.83 0.00 0.00 57.00 55.37 1wfq n GLN 39 Cb 0.47 -4.96 -0.16 0.00 -0.86 0.00 0.00 30.24 24.73 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 -3.50 1.99 -0.70 2.61 0.00 -1.25 -4.92 121.76 115.99 1wfq s ALA 40 Ca 0.51 -0.95 -0.26 0.00 0.00 0.00 0.00 51.96 51.27 1wfq s ALA 40 Cb -0.28 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.21 1wfq s ALA 40 CO 0.91 0.37 1.62 1.03 0.00 0.00 0.00 175.76 179.69 1wfq s ARG 41 N -0.08 2.89 0.55 0.00 0.52 -1.26 -1.66 118.95 119.91 1wfq s ARG 41 Ca -0.05 0.12 -0.07 0.00 -0.52 0.00 0.00 55.73 55.22 1wfq s ARG 41 Cb -0.13 -4.41 -0.02 0.00 0.52 0.00 0.00 34.95 30.91 1wfq s ARG 41 CO 0.04 -2.53 0.88 -0.51 0.02 0.00 0.00 175.30 173.19 1wfq s LEU 42 N 7.64 3.40 -0.25 2.53 1.43 0.17 -4.88 118.68 128.72 1wfq s LEU 42 Ca 0.54 0.94 0.02 0.00 -1.03 0.00 0.00 54.13 54.60 1wfq s LEU 42 Cb -0.10 -3.86 0.06 0.00 0.03 0.00 0.00 46.19 42.32 1wfq s LEU 42 CO 0.15 -0.82 -0.09 0.12 0.23 0.00 0.00 176.35 175.95 1wfq s PHE 43 N -2.92 2.92 -0.09 0.29 5.36 -1.26 -0.23 117.98 122.05 1wfq s PHE 43 Ca 0.51 -2.09 -0.03 0.00 -0.96 0.00 0.00 56.93 54.36 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 0.47 -0.84 0.05 -0.59 -1.46 0.00 0.00 175.22 172.85 1wfq s PHE 44 N 1.22 3.29 0.01 10.12 -0.71 0.39 -3.21 117.98 129.09 1wfq s PHE 44 Ca -0.07 0.29 -0.13 0.00 -1.04 0.00 0.00 56.93 55.98 1wfq s PHE 44 Cb -0.19 -1.83 -0.06 0.00 -1.21 0.00 0.00 43.02 39.73 1wfq s PHE 44 CO -0.06 0.55 0.38 -1.58 -1.34 0.00 0.00 175.22 173.18 1wfq s HIS 45 N -0.94 3.68 0.63 3.49 2.46 -1.26 -1.28 115.29 122.07 1wfq s HIS 45 Ca 0.14 0.90 0.25 0.00 0.47 0.00 0.00 55.06 56.83 1wfq s HIS 45 Cb -0.12 -2.23 1.39 0.00 -0.13 0.00 0.00 32.58 31.50 1wfq s HIS 45 CO 0.03 0.63 1.78 0.00 -2.47 0.00 0.00 174.74 174.71 1wfq h SER 47 N 0.00 0.29 0.13 0.00 0.87 -1.92 -3.30 113.55 109.62 1wfq h SER 47 Ca 0.00 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.32 1wfq h SER 47 Cb 0.82 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1wfq h SER 47 CO 0.00 1.04 -0.06 1.56 -0.53 0.00 0.00 176.83 178.83 1wfq h GLN 48 N 0.12 -0.17 -6.45 2.24 1.08 -0.32 -3.43 115.11 108.18 1wfq h GLN 48 Ca -0.05 0.01 -0.61 0.00 -1.45 0.00 0.00 58.65 56.56 1wfq h GLN 48 Cb 1.52 0.04 0.06 0.00 -0.05 0.00 0.00 27.48 29.04 1wfq h GLN 48 CO 0.14 -0.07 0.71 0.98 -0.95 0.00 0.00 178.83 179.64 1wfq n TYR 49 N -5.14 2.08 0.01 2.96 9.36 -1.22 -2.47 117.16 122.74 1wfq n TYR 49 Ca -0.08 0.37 -0.18 0.00 3.32 0.00 0.00 57.90 61.32 1wfq n TYR 49 Cb 0.11 -2.49 -0.14 0.00 -0.63 0.00 0.00 39.34 36.20 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 5.54 0.34 0.00 2.98 -1.07 -1.74 -3.46 115.58 118.16 1wfq h ASN 50 Ca -0.46 -0.94 0.00 0.00 0.07 0.00 0.00 56.30 54.97 1wfq h ASN 50 Cb 1.27 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 37.42 1wfq h ASN 50 CO 0.86 1.26 0.00 0.61 0.07 0.00 0.00 177.43 180.22 1wfq n GLY 51 N 1.58 -2.88 2.96 9.14 0.00 -1.26 -4.99 105.19 109.74 1wfq n GLY 51 Ca -0.12 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 1wfq n GLY 51 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wfq s ASN 52 N -1.83 3.89 0.28 1.61 -0.87 -1.26 -4.99 114.94 111.76 1wfq s ASN 52 Ca 0.00 -1.18 0.17 0.00 -1.57 0.00 0.00 52.86 50.29 1wfq s ASN 52 Cb 0.00 -1.24 0.99 0.00 -0.02 0.00 0.00 41.25 40.99 1wfq s ASN 52 CO 0.00 -0.22 1.12 0.18 -2.57 0.00 0.00 177.10 175.62 1wfq n LEU 53 N 4.64 0.22 -0.24 0.60 7.99 -1.26 0.11 117.00 129.06 1wfq n LEU 53 Ca -0.13 1.13 0.01 0.00 -0.01 0.00 0.00 56.01 57.01 1wfq n LEU 53 Cb 0.44 -0.55 0.08 0.00 -0.11 0.00 0.00 43.42 43.28 1wfq n LEU 53 CO 0.19 -1.26 0.72 1.56 -1.51 0.00 0.00 177.39 177.09 1wfq h GLN 54 N 0.00 -0.00 -0.55 3.23 1.08 -1.99 0.27 115.11 117.15 1wfq h GLN 54 Ca 0.61 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.75 1wfq h GLN 54 Cb 1.73 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.14 1wfq h GLN 54 CO -0.49 -0.00 0.10 0.22 -0.95 0.00 0.00 178.83 177.71 1wfq h ASP 55 N -0.00 0.82 -4.20 1.46 1.82 0.40 -3.43 116.42 113.28 1wfq h ASP 55 Ca 0.34 -0.17 -0.53 0.00 -0.39 0.00 0.00 57.03 56.29 1wfq h ASP 55 Cb 0.52 -0.22 0.15 0.00 0.68 0.00 0.00 39.33 40.46 1wfq h ASP 55 CO -0.73 0.83 0.36 -0.22 -1.61 0.00 0.00 179.24 177.87 1wfq s LEU 56 N -9.32 3.25 0.19 2.28 2.96 0.96 -5.05 118.68 113.94 1wfq s LEU 56 Ca -0.10 2.23 -0.21 0.00 -0.22 0.00 0.00 54.13 55.84 1wfq s LEU 56 Cb 0.15 -4.57 0.05 0.00 0.50 0.00 0.00 46.19 42.31 1wfq s LEU 56 CO 0.81 -2.25 0.58 -1.59 -1.32 0.00 0.00 176.35 172.59 1wfq s LYS 57 N -4.11 1.37 0.03 1.98 -2.85 -1.26 -4.96 119.74 109.94 1wfq s LYS 57 Ca 0.71 -0.68 -0.30 0.00 -1.00 0.00 0.00 55.97 54.70 1wfq s LYS 57 Cb -0.26 0.56 -0.05 0.00 -2.06 0.00 0.00 37.83 36.03 1wfq s LYS 57 CO 0.47 -0.60 1.16 0.08 0.10 0.00 0.00 175.35 176.57 1wfq s VAL 58 N -3.82 4.21 0.00 1.79 1.01 -1.26 -3.45 120.40 118.88 1wfq s VAL 58 Ca 0.05 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.60 1wfq s VAL 58 Cb -0.02 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1wfq s VAL 58 CO -0.07 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1wfq n GLY 59 N 3.19 0.99 3.42 4.51 0.00 0.10 -4.98 105.19 112.43 1wfq n GLY 59 Ca 0.09 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.02 3.43 0.23 1.61 1.11 -1.22 -4.88 116.67 114.93 1wfq s ASP 60 Ca 0.00 -0.88 -0.25 0.00 0.18 0.00 0.00 52.55 51.59 1wfq s ASP 60 Cb 0.00 -0.25 -0.09 0.00 1.07 0.00 0.00 42.92 43.65 1wfq s ASP 60 CO 0.00 0.11 0.85 -1.81 1.18 0.00 0.00 175.17 175.50 1wfq s ASP 61 N -2.74 7.37 -0.14 0.27 1.11 -1.26 -1.91 116.67 119.37 1wfq s ASP 61 Ca 0.21 1.72 -0.18 0.00 0.18 0.00 0.00 52.55 54.48 1wfq s ASP 61 Cb -0.08 -2.53 0.05 0.00 1.07 0.00 0.00 42.92 41.43 1wfq s ASP 61 CO 0.10 0.09 0.48 0.68 1.18 0.00 0.00 175.17 177.71 1wfq s VAL 62 N -1.35 0.01 -0.16 -1.27 -7.23 -1.26 -3.69 120.40 105.45 1wfq s VAL 62 Ca 0.42 -0.09 -0.09 0.00 -1.81 0.00 0.00 61.98 60.41 1wfq s VAL 62 Cb -0.21 -0.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.97 1wfq s VAL 62 CO 0.26 -0.05 0.15 -0.70 -0.31 0.00 0.00 175.10 174.45 1wfq s GLU 63 N -0.20 3.91 0.27 4.82 2.12 0.11 -3.22 118.70 126.51 1wfq s GLU 63 Ca -0.04 -0.15 -0.00 0.00 0.36 0.00 0.00 54.97 55.14 1wfq s GLU 63 Cb -0.03 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 31.00 1wfq s GLU 63 CO 0.02 0.48 0.28 -0.59 -0.54 0.00 0.00 175.26 174.92 1wfq s PHE 64 N -0.19 1.23 -0.18 5.30 -0.12 0.08 0.64 117.98 124.76 1wfq s PHE 64 Ca 0.12 -1.37 0.01 0.00 -0.05 0.00 0.00 56.93 55.63 1wfq s PHE 64 Cb -0.12 -0.42 0.02 0.00 -0.63 0.00 0.00 43.02 41.87 1wfq s PHE 64 CO 0.01 -0.85 -0.18 -2.00 -0.05 0.00 0.00 175.22 172.15 1wfq s GLU 65 N -3.71 2.80 0.00 1.99 2.56 -0.64 0.18 118.70 121.89 1wfq s GLU 65 Ca 0.36 -0.79 -0.30 0.00 0.00 0.00 0.00 54.97 54.24 1wfq s GLU 65 Cb 0.03 -2.48 -0.05 0.00 2.00 0.00 0.00 34.13 33.63 1wfq s GLU 65 CO 0.18 -0.23 1.30 0.08 -0.56 0.00 0.00 175.26 176.03 1wfq s VAL 66 N 1.33 3.91 0.35 3.70 1.01 -1.26 -1.40 120.40 128.04 1wfq s VAL 66 Ca 0.04 1.30 0.04 0.00 0.00 0.00 0.00 61.98 63.37 1wfq s VAL 66 Cb -0.13 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1wfq s VAL 66 CO -0.12 0.02 0.17 -0.55 0.00 0.00 0.00 175.10 174.62 1wfq s SER 67 N 1.55 2.06 -0.32 3.32 0.15 -0.11 -4.96 113.70 115.38 1wfq s SER 67 Ca 0.60 -1.63 -0.02 0.00 0.70 0.00 0.00 55.95 55.60 1wfq s SER 67 Cb -0.29 0.45 0.06 0.00 -1.71 0.00 0.00 66.02 64.53 1wfq s SER 67 CO 0.26 -0.93 0.05 -0.94 1.20 0.00 0.00 173.24 172.88 1wfq s SER 68 N -3.47 4.99 1.08 5.45 1.04 -1.26 -1.78 113.70 119.75 1wfq s SER 68 Ca 0.32 -1.42 -0.20 0.00 0.48 0.00 0.00 55.95 55.13 1wfq s SER 68 Cb 0.04 -1.74 0.03 0.00 0.10 0.00 0.00 66.02 64.44 1wfq s SER 68 CO 0.18 -0.32 -0.30 -0.67 0.98 0.00 0.00 173.24 173.11 1wfq n ASP 69 N 4.62 -2.61 -0.00 7.02 2.03 -1.08 -4.83 116.55 121.70 1wfq n ASP 69 Ca -0.11 -0.04 0.08 0.00 0.52 0.00 0.00 54.79 55.24 1wfq n ASP 69 Cb 0.43 -0.88 -0.11 0.00 -0.72 0.00 0.00 41.12 39.84 1wfq n ASP 69 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wfq n ARG 70 N -0.94 0.97 -0.11 -0.67 3.00 -1.26 -3.20 116.66 114.44 1wfq n ARG 70 Ca 0.01 -0.10 -0.21 0.00 -0.01 0.00 0.00 57.85 57.54 1wfq n ARG 70 Cb 0.64 -1.32 -0.09 0.00 0.00 0.00 0.00 32.46 31.69 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 -1.82 0.56 -0.02 5.56 5.12 -1.26 -4.63 116.66 120.16 1wfq n ARG 71 Ca -0.01 0.41 0.08 0.00 -1.93 0.00 0.00 57.85 56.40 1wfq n ARG 71 Cb 0.35 -1.61 -0.16 0.00 -1.16 0.00 0.00 32.46 29.88 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 -4.39 0.21 -1.28 0.55 -2.24 -1.26 -4.98 114.28 100.89 1wfq n THR 72 Ca -0.36 -0.54 -0.10 0.00 -2.27 0.00 0.00 64.05 60.79 1wfq n THR 72 Cb 0.69 -0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.82 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 1.36 1.05 3.88 3.38 0.00 -1.19 -4.95 105.19 108.71 1wfq n GLY 73 Ca -0.08 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.60 3.75 -0.56 1.61 1.02 -1.26 -4.46 119.74 117.23 1wfq s LYS 74 Ca 0.00 0.38 -0.27 0.00 0.02 0.00 0.00 55.97 56.10 1wfq s LYS 74 Cb 0.00 -2.45 -0.02 0.00 -0.52 0.00 0.00 37.83 34.85 1wfq s LYS 74 CO 0.00 0.02 1.83 -1.25 -0.92 0.00 0.00 175.35 175.03 1wfq s PRO 75 N -3.76 2.77 0.32 -1.68 0.04 -1.26 -2.63 135.00 128.80 1wfq s PRO 75 Ca 0.50 0.74 0.09 0.00 0.04 0.00 0.00 61.00 62.37 1wfq s PRO 75 Cb -0.10 -4.34 -0.05 0.00 0.04 0.00 0.00 34.50 30.04 1wfq s PRO 75 CO 0.31 -2.55 -0.01 0.96 0.04 0.00 0.00 177.00 175.75 1wfq s ILE 76 N 8.60 2.80 0.14 0.56 -4.36 -0.73 -4.60 121.20 123.60 1wfq s ILE 76 Ca 0.69 -1.99 -0.11 0.00 -0.26 0.00 0.00 60.65 58.98 1wfq s ILE 76 Cb -0.14 -2.76 -0.06 0.00 1.25 0.00 0.00 42.46 40.74 1wfq s ILE 76 CO 0.23 -0.25 0.49 0.00 0.24 0.00 0.00 174.94 175.64 1wfq s ALA 77 N -2.47 3.64 0.09 2.27 0.00 -1.20 -0.94 121.76 123.15 1wfq s ALA 77 Ca 0.34 -0.28 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 1wfq s ALA 77 Cb -0.02 -2.39 -0.02 0.00 0.00 0.00 0.00 23.12 20.69 1wfq s ALA 77 CO 0.19 0.52 0.09 0.14 0.00 0.00 0.00 175.76 176.71 1wfq s VAL 78 N -1.55 0.16 -1.44 0.00 -7.23 -0.49 -4.43 120.40 105.42 1wfq s VAL 78 Ca 0.39 -1.58 -0.00 0.00 -1.81 0.00 0.00 61.98 58.97 1wfq s VAL 78 Cb -0.13 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.21 1wfq s VAL 78 CO 0.20 -0.71 0.32 0.29 -0.31 0.00 0.00 175.10 174.89 1wfq n LYS 79 N -0.02 -2.75 -1.80 4.82 5.02 -1.24 -1.62 118.16 120.58 1wfq n LYS 79 Ca -0.12 0.33 -0.38 0.00 -2.02 0.00 0.00 58.31 56.12 1wfq n LYS 79 Cb 0.62 -4.31 0.05 0.00 -0.02 0.00 0.00 35.03 31.37 1wfq n LYS 79 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1wfq s LEU 80 N -7.06 3.78 -0.24 -0.35 2.96 -1.03 -4.56 118.68 112.18 1wfq s LEU 80 Ca 0.00 2.70 -0.08 0.00 -0.22 0.00 0.00 54.13 56.53 1wfq s LEU 80 Cb -0.00 -4.37 0.10 0.00 0.50 0.00 0.00 46.19 42.42 1wfq s LEU 80 CO 0.91 -1.66 0.51 0.68 -1.32 0.00 0.00 176.35 175.47 1wfq s VAL 81 N -1.35 -0.74 0.23 1.68 -7.23 0.21 -2.37 120.40 110.83 1wfq s VAL 81 Ca 0.74 0.10 -0.32 0.00 -1.81 0.00 0.00 61.98 60.70 1wfq s VAL 81 Cb -0.39 -0.79 -0.12 0.00 0.56 0.00 0.00 36.38 35.64 1wfq s VAL 81 CO 0.45 0.04 1.69 1.17 -0.31 0.00 0.00 175.10 178.14 1wfq n LYS 82 N 5.35 2.74 0.13 4.82 4.81 -1.26 0.07 118.16 134.82 1wfq n LYS 82 Ca -0.10 0.98 -0.11 0.00 -0.87 0.00 0.00 58.31 58.21 1wfq n LYS 82 Cb 0.50 -2.81 -0.07 0.00 0.02 0.00 0.00 35.03 32.67 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 3.67 0.53 -3.55 3.15 2.04 -1.89 -3.44 117.51 118.02 1wfq h ILE 83 Ca -0.44 -0.82 -0.62 0.00 1.00 0.00 0.00 64.86 63.99 1wfq h ILE 83 Cb 1.21 0.85 -0.14 0.00 -0.74 0.00 0.00 36.82 38.00 1wfq h ILE 83 CO 0.91 0.12 -0.47 -0.94 0.00 0.00 0.00 178.15 177.77 1wfq s SER 84 N -5.18 6.15 -0.42 1.72 1.04 -1.26 -5.03 113.70 110.73 1wfq s SER 84 Ca -0.12 0.16 0.05 0.00 0.48 0.00 0.00 55.95 56.52 1wfq s SER 84 Cb 0.01 -2.12 0.17 0.00 0.10 0.00 0.00 66.02 64.18 1wfq s SER 84 CO 0.42 0.06 0.50 -0.83 0.98 0.00 0.00 173.24 174.37 1wfq s GLY 85 N 1.00 -0.41 -0.65 7.32 0.00 -1.26 -5.05 107.32 108.28 1wfq s GLY 85 Ca 0.09 -0.78 -0.26 0.00 0.00 0.00 0.00 44.72 43.77 1wfq s GLY 85 CO 0.04 3.06 1.87 2.56 0.00 0.00 0.00 173.10 180.64 1wfq s PRO 86 N 1.24 2.61 0.30 2.90 0.04 -1.26 -4.97 135.00 135.86 1wfq s PRO 86 Ca 0.21 0.50 -0.29 0.00 0.04 0.00 0.00 61.00 61.46 1wfq s PRO 86 Cb -0.07 -4.47 -0.10 0.00 0.04 0.00 0.00 34.50 29.90 1wfq s PRO 86 CO -0.06 -2.82 1.13 0.45 0.04 0.00 0.00 177.00 175.75 1wfq s SER 87 N 8.12 7.14 0.41 6.66 0.15 -1.26 -4.97 113.70 129.96 1wfq s SER 87 Ca 0.68 2.34 -0.25 0.00 0.70 0.00 0.00 55.95 59.41 1wfq s SER 87 Cb -0.12 -2.63 -0.10 0.00 -1.71 0.00 0.00 66.02 61.46 1wfq s SER 87 CO 0.18 -0.24 1.12 -1.54 1.20 0.00 0.00 173.24 173.96 1wfq n SER 88 N 1.04 1.79 0.00 5.45 3.41 -1.26 -5.36 113.62 118.70 1wfq n SER 88 Ca -0.01 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.68 1wfq n SER 88 Cb 0.44 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 1wfq n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49