#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 -0.02 0.43 1.61 0.01 -1.26 -5.19 113.70 109.28 1wfq s SER 2 Ca 0.00 -0.98 0.07 0.00 1.31 0.00 0.00 55.95 56.35 1wfq s SER 2 Cb 0.00 0.78 -0.05 0.00 0.21 0.00 0.00 66.02 66.96 1wfq s SER 2 CO 0.00 -1.52 0.15 -0.94 0.41 0.00 0.00 173.24 171.34 1wfq s SER 3 N -3.03 4.30 0.00 2.44 1.04 -1.26 -5.13 113.70 112.07 1wfq s SER 3 Ca 0.16 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1wfq s SER 3 Cb -0.05 -0.35 0.00 0.00 0.10 0.00 0.00 66.02 65.72 1wfq s SER 3 CO 0.10 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1wfq n GLY 4 N -1.21 4.04 2.93 7.32 0.00 -1.26 -5.05 105.19 111.95 1wfq n GLY 4 Ca -0.03 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 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 4.83 -1.64 1.61 0.01 -1.26 -4.83 113.70 112.43 1wfq s SER 5 Ca 0.00 -3.66 -0.13 0.00 1.31 0.00 0.00 55.95 53.47 1wfq s SER 5 Cb 0.00 -1.67 0.11 0.00 0.21 0.00 0.00 66.02 64.68 1wfq s SER 5 CO 0.00 -0.13 0.58 -1.54 0.41 0.00 0.00 173.24 172.56 1wfq n SER 6 N 2.25 -1.87 0.00 2.44 3.41 -1.26 -4.50 113.62 114.09 1wfq n SER 6 Ca 0.17 -1.08 0.00 0.00 -0.26 0.00 0.00 58.87 57.70 1wfq n SER 6 Cb 0.35 -2.52 0.00 0.00 -0.26 0.00 0.00 64.21 61.77 1wfq n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfq n GLY 7 N -1.64 2.13 2.74 5.00 0.00 -1.26 -3.79 105.19 108.37 1wfq n GLY 7 Ca -0.06 0.44 -0.11 0.00 0.00 0.00 0.00 46.02 46.28 1wfq n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wfq s GLY 8 N 0.00 -0.42 0.77 -0.02 0.00 -1.26 -5.14 107.32 101.24 1wfq s GLY 8 Ca 0.00 -0.92 -0.16 0.00 0.00 0.00 0.00 44.72 43.64 1wfq s GLY 8 CO 0.00 3.11 -0.54 1.58 0.00 0.00 0.00 173.10 177.24 1wfq n TYR 9 N 3.42 -4.12 -2.23 1.90 0.18 -1.25 -4.68 117.16 110.38 1wfq n TYR 9 Ca 0.18 0.11 -0.35 0.00 1.88 0.00 0.00 57.90 59.72 1wfq n TYR 9 Cb 0.52 -1.39 0.00 0.00 -0.38 0.00 0.00 39.34 38.10 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 -1.54 3.32 0.26 -3.48 0.04 -1.26 -5.15 135.00 127.20 1wfq s PRO 10 Ca 0.42 1.60 0.07 0.00 0.04 0.00 0.00 61.00 63.13 1wfq s PRO 10 Cb -0.26 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1wfq s PRO 10 CO 0.71 -0.87 0.18 0.54 0.04 0.00 0.00 177.00 177.60 1wfq s ASN 11 N -1.83 5.34 0.54 6.66 4.22 -1.26 -5.01 114.94 123.61 1wfq s ASN 11 Ca 0.72 -0.34 0.00 0.00 -2.14 0.00 0.00 52.86 51.10 1wfq s ASN 11 Cb -0.24 -1.26 0.00 0.00 1.28 0.00 0.00 41.25 41.03 1wfq s ASN 11 CO 0.28 -0.07 0.00 0.61 -2.04 0.00 0.00 177.10 175.88 1wfq n GLY 12 N -1.16 -3.37 0.40 0.45 0.00 -1.26 -4.48 105.19 95.77 1wfq n GLY 12 Ca -0.07 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 1wfq n GLY 12 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1wfq h THR 13 N -1.09 0.10 -3.06 2.61 2.02 -2.08 -3.36 112.91 108.05 1wfq h THR 13 Ca -0.16 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.45 1wfq h THR 13 Cb 1.16 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 1wfq h THR 13 CO 0.06 0.00 1.07 -0.44 0.37 0.00 0.00 175.52 176.58 1wfq s SER 14 N -5.11 6.42 0.96 4.18 0.01 -1.26 -5.01 113.70 113.90 1wfq s SER 14 Ca -0.14 1.18 -0.16 0.00 1.31 0.00 0.00 55.95 58.14 1wfq s SER 14 Cb 0.12 -2.54 0.20 0.00 0.21 0.00 0.00 66.02 64.02 1wfq s SER 14 CO 0.66 -1.29 1.32 0.00 0.41 0.00 0.00 173.24 174.33 1wfq s ALA 15 N 5.14 2.24 -0.24 1.44 0.00 -1.26 -4.74 121.76 124.35 1wfq s ALA 15 Ca 0.63 -1.24 -0.07 0.00 0.00 0.00 0.00 51.96 51.29 1wfq s ALA 15 Cb -0.18 -2.75 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 1wfq s ALA 15 CO 0.29 -2.45 0.05 0.00 0.00 0.00 0.00 175.76 173.64 1wfq s ALA 16 N -3.89 3.13 -0.23 0.00 0.00 -1.26 -5.04 121.76 114.47 1wfq s ALA 16 Ca 0.74 -1.09 -0.08 0.00 0.00 0.00 0.00 51.96 51.54 1wfq s ALA 16 Cb -0.04 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 1wfq s ALA 16 CO 0.53 -0.39 0.09 -1.17 0.00 0.00 0.00 175.76 174.82 1wfq s LEU 17 N 1.44 3.68 -0.08 0.00 1.98 -1.26 -5.02 118.68 119.41 1wfq s LEU 17 Ca 0.05 -0.07 -0.17 0.00 -2.89 0.00 0.00 54.13 51.06 1wfq s LEU 17 Cb -0.15 -1.97 -0.05 0.00 0.66 0.00 0.00 46.19 44.68 1wfq s LEU 17 CO 0.03 0.04 0.44 -0.13 -1.89 0.00 0.00 176.35 174.84 1wfq s ARG 18 N 1.18 4.21 0.15 1.98 1.81 -1.26 -4.40 118.95 122.61 1wfq s ARG 18 Ca 0.05 0.41 0.05 0.00 -1.72 0.00 0.00 55.73 54.52 1wfq s ARG 18 Cb -0.14 -3.36 -0.04 0.00 -0.45 0.00 0.00 34.95 30.95 1wfq s ARG 18 CO 0.04 0.34 0.12 -1.21 -0.68 0.00 0.00 175.30 173.91 1wfq s GLU 19 N 0.04 2.85 -0.02 3.54 2.02 0.13 -4.92 118.70 122.34 1wfq s GLU 19 Ca 0.24 -0.86 0.04 0.00 0.02 0.00 0.00 54.97 54.41 1wfq s GLU 19 Cb -0.15 -2.63 -0.01 0.00 0.10 0.00 0.00 34.13 31.43 1wfq s GLU 19 CO 0.11 0.49 -0.13 0.95 0.02 0.00 0.00 175.26 176.70 1wfq s THR 20 N -1.69 1.06 0.00 3.63 -4.23 -1.26 -0.69 115.64 112.45 1wfq s THR 20 Ca 0.30 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 1wfq s THR 20 Cb -0.10 -0.90 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1wfq s THR 20 CO 0.23 0.30 0.00 0.61 -0.54 0.00 0.00 174.62 175.22 1wfq n GLY 21 N 2.90 3.73 3.46 3.99 0.00 -1.14 -3.62 105.19 114.49 1wfq n GLY 21 Ca -0.15 -0.28 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 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 2.59 0.01 -0.92 1.61 0.11 -0.82 -3.79 120.40 119.20 1wfq s VAL 22 Ca 0.00 -0.10 -0.24 0.00 -2.93 0.00 0.00 61.98 58.70 1wfq s VAL 22 Cb 0.00 -0.94 0.03 0.00 -1.53 0.00 0.00 36.38 33.94 1wfq s VAL 22 CO 0.00 -0.06 1.46 -0.63 -3.33 0.00 0.00 175.10 172.54 1wfq s ILE 23 N -1.54 3.81 0.01 7.04 -1.09 -0.92 0.13 121.20 128.63 1wfq s ILE 23 Ca -0.10 -0.36 -0.23 0.00 -2.23 0.00 0.00 60.65 57.73 1wfq s ILE 23 Cb -0.01 -4.90 -0.17 0.00 -1.58 0.00 0.00 42.46 35.81 1wfq s ILE 23 CO 0.06 -1.80 1.33 -0.08 -1.23 0.00 0.00 174.94 173.22 1wfq h GLU 24 N 10.17 0.18 -4.63 2.79 4.81 -1.63 0.11 114.58 126.38 1wfq h GLU 24 Ca 0.04 -0.09 -0.27 0.00 -0.13 0.00 0.00 59.36 58.91 1wfq h GLU 24 Cb 1.03 -0.00 -0.20 0.00 0.63 0.00 0.00 28.75 30.21 1wfq h GLU 24 CO 1.36 0.58 -0.73 0.21 -0.73 0.00 0.00 179.01 179.71 1wfq s LYS 25 N -4.39 0.61 -0.08 1.92 2.36 -0.95 -4.79 119.74 114.42 1wfq s LYS 25 Ca -0.15 -0.89 -0.07 0.00 -2.55 0.00 0.00 55.97 52.32 1wfq s LYS 25 Cb 0.04 -0.31 0.02 0.00 -1.05 0.00 0.00 37.83 36.53 1wfq s LYS 25 CO 0.71 0.04 0.20 -1.17 1.55 0.00 0.00 175.35 176.69 1wfq s LEU 26 N -1.89 1.15 0.00 5.43 2.96 -1.26 0.52 118.68 125.59 1wfq s LEU 26 Ca -0.05 0.40 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 1wfq s LEU 26 Cb -0.07 0.67 -0.01 0.00 0.50 0.00 0.00 46.19 47.28 1wfq s LEU 26 CO -0.01 -0.08 0.12 0.18 -1.32 0.00 0.00 176.35 175.25 1wfq n LEU 27 N 3.13 0.00 0.16 -0.68 4.32 0.34 -4.94 117.00 119.32 1wfq n LEU 27 Ca -0.14 -2.43 0.04 0.00 -0.02 0.00 0.00 56.01 53.46 1wfq n LEU 27 Cb 0.58 0.85 0.17 0.00 -1.62 0.00 0.00 43.42 43.40 1wfq n LEU 27 CO 0.19 -0.38 0.56 0.74 -1.22 0.00 0.00 177.39 177.29 1wfq h THR 28 N 1.55 0.86 0.06 -5.08 2.02 -2.04 -3.32 112.91 106.98 1wfq h THR 28 Ca -0.24 -1.91 -0.38 0.00 0.77 0.00 0.00 66.41 64.65 1wfq h THR 28 Cb 0.94 2.21 -0.04 0.00 -1.74 0.00 0.00 68.15 69.52 1wfq h THR 28 CO 0.38 0.44 -2.20 -0.24 0.37 0.00 0.00 175.52 174.27 1wfq n SER 29 N -3.35 2.05 -2.08 4.18 2.88 -1.26 -5.00 113.62 111.04 1wfq n SER 29 Ca 0.01 0.07 -0.03 0.00 -1.33 0.00 0.00 58.87 57.59 1wfq n SER 29 Cb 0.64 -0.67 0.01 0.00 -0.75 0.00 0.00 64.21 63.44 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 -3.44 -1.23 -3.92 0.66 0.18 -1.25 -3.14 117.16 105.03 1wfq n TYR 30 Ca -0.39 -0.75 -0.09 0.00 1.88 0.00 0.00 57.90 58.54 1wfq n TYR 30 Cb 1.01 0.37 -0.06 0.00 -0.38 0.00 0.00 39.34 40.28 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 -2.45 0.37 -0.01 -7.48 0.00 -0.30 0.13 107.32 97.57 1wfq s GLY 31 Ca 0.10 -0.73 0.03 0.00 0.00 0.00 0.00 44.72 44.12 1wfq s GLY 31 CO 0.04 -0.66 -0.08 -1.36 0.00 0.00 0.00 173.10 171.04 1wfq s PHE 32 N -3.96 2.86 -0.20 1.90 0.40 0.18 -0.03 117.98 119.14 1wfq s PHE 32 Ca 0.17 -0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.46 1wfq s PHE 32 Cb 0.02 -1.61 0.03 0.00 0.51 0.00 0.00 43.02 41.96 1wfq s PHE 32 CO 0.01 0.35 -0.18 0.42 0.70 0.00 0.00 175.22 176.52 1wfq s ILE 33 N -0.95 2.08 -0.63 0.64 1.01 0.10 -1.61 121.20 121.84 1wfq s ILE 33 Ca 0.16 -1.09 -0.27 0.00 0.00 0.00 0.00 60.65 59.44 1wfq s ILE 33 Cb -0.11 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.43 1wfq s ILE 33 CO 0.06 0.41 1.38 -1.58 0.00 0.00 0.00 174.94 175.22 1wfq s GLN 34 N 1.25 3.23 -0.03 2.79 2.00 0.35 0.08 119.66 129.33 1wfq s GLN 34 Ca 0.02 0.21 -0.29 0.00 -2.00 0.00 0.00 55.36 53.29 1wfq s GLN 34 Cb -0.15 -4.15 -0.08 0.00 0.80 0.00 0.00 33.01 29.43 1wfq s GLN 34 CO -0.11 -2.05 2.04 0.00 -0.50 0.00 0.00 175.29 174.66 1wfq n SER 36 N 8.66 1.28 -0.05 0.00 7.64 -1.24 -1.35 113.62 128.56 1wfq n SER 36 Ca 0.23 -2.02 -0.08 0.00 1.01 0.00 0.00 58.87 58.01 1wfq n SER 36 Cb 0.42 -0.18 -0.04 0.00 -1.01 0.00 0.00 64.21 63.40 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 0.15 0.24 0.00 1.43 1.02 -1.26 -4.69 120.64 117.53 1wfq n GLU 37 Ca 0.07 0.07 0.09 0.00 -0.02 0.00 0.00 57.16 57.37 1wfq n GLU 37 Cb 0.21 -1.12 -0.05 0.00 -0.02 0.00 0.00 31.44 30.46 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 -2.95 1.19 -3.31 3.49 1.85 -1.25 -4.98 116.66 110.70 1wfq n ARG 38 Ca -0.18 -0.48 -0.20 0.00 -1.00 0.00 0.00 57.85 55.98 1wfq n ARG 38 Cb 0.68 -1.38 0.06 0.00 -1.05 0.00 0.00 32.46 30.77 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 -0.71 -6.17 -4.41 2.89 6.02 -0.46 -5.01 117.38 109.53 1wfq n GLN 39 Ca 0.06 0.72 -0.20 0.00 -0.01 0.00 0.00 57.00 57.57 1wfq n GLN 39 Cb 0.35 -5.37 -0.14 0.00 1.02 0.00 0.00 30.24 26.11 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 -3.23 1.13 -0.45 -1.58 0.00 -1.18 -4.95 121.76 111.51 1wfq s ALA 40 Ca 0.44 -0.75 -0.25 0.00 0.00 0.00 0.00 51.96 51.40 1wfq s ALA 40 Cb -0.20 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.75 1wfq s ALA 40 CO 0.55 0.23 0.89 -0.98 0.00 0.00 0.00 175.76 176.45 1wfq s ARG 41 N -0.92 3.54 0.58 0.00 1.70 -1.26 0.04 118.95 122.63 1wfq s ARG 41 Ca 0.02 0.14 -0.03 0.00 -0.47 0.00 0.00 55.73 55.39 1wfq s ARG 41 Cb -0.07 -3.92 0.02 0.00 -0.57 0.00 0.00 34.95 30.42 1wfq s ARG 41 CO 0.01 -1.17 0.85 -0.51 -1.08 0.00 0.00 175.30 173.40 1wfq s LEU 42 N 3.62 3.24 -0.30 -1.89 1.43 0.11 -4.89 118.68 120.01 1wfq s LEU 42 Ca 0.36 0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.91 1wfq s LEU 42 Cb -0.11 -3.24 0.08 0.00 0.03 0.00 0.00 46.19 42.95 1wfq s LEU 42 CO 0.25 -1.11 0.01 0.12 0.23 0.00 0.00 176.35 175.85 1wfq s PHE 43 N -2.91 3.04 -0.10 0.29 5.36 -1.26 -0.72 117.98 121.68 1wfq s PHE 43 Ca 0.55 -2.41 -0.09 0.00 -0.96 0.00 0.00 56.93 54.02 1wfq s PHE 43 Cb -0.10 -2.27 -0.04 0.00 -0.34 0.00 0.00 43.02 40.26 1wfq s PHE 43 CO 0.42 -0.89 0.19 -0.59 -1.46 0.00 0.00 175.22 172.89 1wfq s PHE 44 N 1.16 3.61 0.04 10.12 -0.12 0.95 -3.40 117.98 130.34 1wfq s PHE 44 Ca 0.04 0.61 -0.14 0.00 -0.05 0.00 0.00 56.93 57.39 1wfq s PHE 44 Cb -0.19 -2.02 -0.06 0.00 -0.63 0.00 0.00 43.02 40.13 1wfq s PHE 44 CO -0.10 0.70 0.43 -1.58 -0.05 0.00 0.00 175.22 174.62 1wfq s HIS 45 N -0.96 3.68 0.64 3.49 5.65 -1.26 -1.15 115.29 125.38 1wfq s HIS 45 Ca 0.16 0.97 0.23 0.00 0.25 0.00 0.00 55.06 56.67 1wfq s HIS 45 Cb -0.13 -2.28 1.19 0.00 -1.18 0.00 0.00 32.58 30.19 1wfq s HIS 45 CO 0.05 0.59 1.67 0.00 -0.65 0.00 0.00 174.74 176.40 1wfq h SER 47 N 0.00 0.28 0.28 0.00 0.87 -1.92 -3.30 113.55 109.76 1wfq h SER 47 Ca 0.09 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 1wfq h SER 47 Cb 1.27 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.14 1wfq h SER 47 CO -0.00 1.01 -0.18 1.56 -0.53 0.00 0.00 176.83 178.69 1wfq h GLN 48 N 0.13 -0.43 -6.31 2.24 1.08 0.28 -3.42 115.11 108.67 1wfq h GLN 48 Ca -0.04 0.03 -0.64 0.00 -1.45 0.00 0.00 58.65 56.55 1wfq h GLN 48 Cb 1.47 0.10 0.03 0.00 -0.05 0.00 0.00 27.48 29.03 1wfq h GLN 48 CO 0.13 -0.29 0.90 0.98 -0.95 0.00 0.00 178.83 179.60 1wfq n TYR 49 N -5.31 2.16 0.03 2.96 9.36 -1.22 -2.00 117.16 123.14 1wfq n TYR 49 Ca -0.09 0.25 -0.19 0.00 3.32 0.00 0.00 57.90 61.18 1wfq n TYR 49 Cb 0.22 -2.55 -0.11 0.00 -0.63 0.00 0.00 39.34 36.27 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 7.36 0.76 0.00 2.98 7.08 -1.67 -3.46 115.58 128.63 1wfq h ASN 50 Ca -0.47 -0.76 0.00 0.00 -3.08 0.00 0.00 56.30 51.98 1wfq h ASN 50 Cb 1.28 -0.23 0.00 0.00 -2.08 0.00 0.00 38.32 37.29 1wfq h ASN 50 CO 0.91 1.43 0.00 0.61 -2.08 0.00 0.00 177.43 178.30 1wfq n GLY 51 N 1.14 -2.15 2.98 9.14 0.00 -1.26 -5.00 105.19 110.04 1wfq n GLY 51 Ca -0.11 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.60 1wfq n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfq s ASN 52 N -1.67 3.76 0.37 1.61 4.22 -1.26 -4.99 114.94 116.98 1wfq s ASN 52 Ca 0.00 -1.09 0.27 0.00 -2.14 0.00 0.00 52.86 49.90 1wfq s ASN 52 Cb 0.00 -1.26 1.26 0.00 1.28 0.00 0.00 41.25 42.53 1wfq s ASN 52 CO 0.00 -0.19 1.33 0.18 -2.04 0.00 0.00 177.10 176.38 1wfq n LEU 53 N 4.64 0.19 -0.25 3.54 7.99 -1.26 0.86 117.00 132.70 1wfq n LEU 53 Ca -0.13 1.20 0.04 0.00 -0.01 0.00 0.00 56.01 57.10 1wfq n LEU 53 Cb 0.45 -0.59 0.14 0.00 -0.11 0.00 0.00 43.42 43.31 1wfq n LEU 53 CO 0.19 -1.30 0.80 1.56 -1.51 0.00 0.00 177.39 177.13 1wfq h GLN 54 N 0.00 0.08 -0.40 3.23 1.08 -2.01 0.17 115.11 117.26 1wfq h GLN 54 Ca 0.75 -0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.82 1wfq h GLN 54 Cb 2.39 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 29.78 1wfq h GLN 54 CO -0.41 0.05 -0.25 -0.44 -0.95 0.00 0.00 178.83 176.83 1wfq h ASP 55 N 0.08 0.84 -4.26 1.46 3.32 0.03 -3.44 116.42 114.45 1wfq h ASP 55 Ca 0.39 -0.32 -0.52 0.00 0.02 0.00 0.00 57.03 56.60 1wfq h ASP 55 Cb 0.67 -0.23 0.17 0.00 0.22 0.00 0.00 39.33 40.16 1wfq h ASP 55 CO -0.67 1.05 0.29 -0.22 -1.72 0.00 0.00 179.24 177.97 1wfq s LEU 56 N -8.90 3.01 0.20 1.55 2.96 0.60 -5.05 118.68 113.04 1wfq s LEU 56 Ca -0.10 2.15 -0.23 0.00 -0.22 0.00 0.00 54.13 55.73 1wfq s LEU 56 Cb 0.13 -4.56 0.05 0.00 0.50 0.00 0.00 46.19 42.31 1wfq s LEU 56 CO 0.85 -2.65 0.70 -1.59 -1.32 0.00 0.00 176.35 172.34 1wfq s LYS 57 N -4.52 1.45 -0.34 1.98 -2.85 -1.26 -4.96 119.74 109.23 1wfq s LYS 57 Ca 0.67 -0.69 -0.29 0.00 -1.00 0.00 0.00 55.97 54.66 1wfq s LYS 57 Cb -0.23 0.57 0.01 0.00 -2.06 0.00 0.00 37.83 36.12 1wfq s LYS 57 CO 0.54 -0.65 1.20 0.08 0.10 0.00 0.00 175.35 176.62 1wfq s VAL 58 N -3.73 4.27 0.00 1.79 1.01 -1.26 -3.48 120.40 119.00 1wfq s VAL 58 Ca 0.06 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.47 1wfq s VAL 58 Cb -0.03 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1wfq s VAL 58 CO -0.03 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.10 1wfq n GLY 59 N 4.28 1.78 3.18 4.51 0.00 0.40 -4.99 105.19 114.35 1wfq n GLY 59 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 2.23 0.47 1.61 1.01 -1.23 -4.88 116.67 113.89 1wfq s ASP 60 Ca 0.00 -0.35 -0.23 0.00 0.71 0.00 0.00 52.55 52.68 1wfq s ASP 60 Cb 0.00 -0.30 -0.07 0.00 1.01 0.00 0.00 42.92 43.56 1wfq s ASP 60 CO 0.00 0.22 1.23 -1.81 0.21 0.00 0.00 175.17 175.03 1wfq s ASP 61 N -0.38 5.96 -0.16 0.27 1.11 -1.26 -2.18 116.67 120.03 1wfq s ASP 61 Ca 0.06 2.47 -0.20 0.00 0.18 0.00 0.00 52.55 55.06 1wfq s ASP 61 Cb -0.08 -2.62 0.05 0.00 1.07 0.00 0.00 42.92 41.35 1wfq s ASP 61 CO -0.00 -1.07 0.52 0.68 1.18 0.00 0.00 175.17 176.48 1wfq s VAL 62 N -1.44 0.01 -0.11 -1.27 -7.23 -1.25 -3.76 120.40 105.35 1wfq s VAL 62 Ca 0.65 -0.06 -0.11 0.00 -1.81 0.00 0.00 61.98 60.65 1wfq s VAL 62 Cb -0.33 -0.76 -0.05 0.00 0.56 0.00 0.00 36.38 35.81 1wfq s VAL 62 CO 0.40 -0.03 0.25 -0.70 -0.31 0.00 0.00 175.10 174.71 1wfq s GLU 63 N -0.09 3.84 0.32 4.82 2.12 0.12 -2.89 118.70 126.93 1wfq s GLU 63 Ca -0.03 0.06 -0.04 0.00 0.36 0.00 0.00 54.97 55.32 1wfq s GLU 63 Cb -0.03 -3.28 -0.00 0.00 0.26 0.00 0.00 34.13 31.08 1wfq s GLU 63 CO 0.02 0.58 0.44 -0.59 -0.54 0.00 0.00 175.26 175.17 1wfq s PHE 64 N -0.54 0.97 -0.15 5.30 -0.71 0.13 0.56 117.98 123.52 1wfq s PHE 64 Ca 0.17 -1.21 0.01 0.00 -1.04 0.00 0.00 56.93 54.86 1wfq s PHE 64 Cb -0.13 -0.09 0.02 0.00 -1.21 0.00 0.00 43.02 41.61 1wfq s PHE 64 CO 0.06 -1.07 -0.19 -2.00 -1.34 0.00 0.00 175.22 170.68 1wfq s GLU 65 N -3.31 2.79 -0.15 1.99 2.56 -0.94 0.19 118.70 121.83 1wfq s GLU 65 Ca 0.30 -0.76 -0.29 0.00 0.00 0.00 0.00 54.97 54.22 1wfq s GLU 65 Cb 0.00 -2.37 -0.02 0.00 2.00 0.00 0.00 34.13 33.74 1wfq s GLU 65 CO 0.18 -0.14 1.34 0.08 -0.56 0.00 0.00 175.26 176.16 1wfq s VAL 66 N 1.14 4.15 0.42 3.70 1.01 -1.26 -1.97 120.40 127.59 1wfq s VAL 66 Ca -0.00 1.38 0.03 0.00 0.00 0.00 0.00 61.98 63.40 1wfq s VAL 66 Cb -0.14 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1wfq s VAL 66 CO -0.08 -0.13 0.09 -0.44 0.00 0.00 0.00 175.10 174.54 1wfq s SER 67 N 2.26 3.06 -0.19 3.32 0.01 0.37 -4.95 113.70 117.57 1wfq s SER 67 Ca 0.58 -1.63 -0.00 0.00 1.31 0.00 0.00 55.95 56.21 1wfq s SER 67 Cb -0.24 0.42 0.01 0.00 0.21 0.00 0.00 66.02 66.43 1wfq s SER 67 CO 0.18 -0.87 -0.15 -0.44 0.41 0.00 0.00 173.24 172.37 1wfq s SER 68 N -3.65 3.52 1.29 2.44 0.01 -1.26 -0.94 113.70 115.10 1wfq s SER 68 Ca 0.22 -0.59 -0.18 0.00 1.31 0.00 0.00 55.95 56.70 1wfq s SER 68 Cb 0.03 -1.56 0.30 0.00 0.21 0.00 0.00 66.02 65.01 1wfq s SER 68 CO 0.12 -0.01 0.78 -0.67 0.41 0.00 0.00 173.24 173.87 1wfq n ASP 69 N 4.67 -2.99 -0.00 2.44 2.03 -0.98 -4.85 116.55 116.87 1wfq n ASP 69 Ca -0.20 -0.49 0.04 0.00 0.52 0.00 0.00 54.79 54.66 1wfq n ASP 69 Cb 0.50 -1.07 -0.05 0.00 -0.72 0.00 0.00 41.12 39.78 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 -4.72 3.46 -0.12 -0.67 3.00 -1.26 -3.25 116.66 113.09 1wfq n ARG 70 Ca 0.07 -0.02 -0.16 0.00 -0.01 0.00 0.00 57.85 57.73 1wfq n ARG 70 Cb 0.56 -0.95 -0.13 0.00 0.00 0.00 0.00 32.46 31.93 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 -1.32 0.66 -0.00 5.56 1.74 -1.26 -4.66 116.66 117.38 1wfq n ARG 71 Ca 0.01 0.12 0.01 0.00 -0.77 0.00 0.00 57.85 57.22 1wfq n ARG 71 Cb 0.15 -1.53 -0.01 0.00 -1.02 0.00 0.00 32.46 30.05 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 -3.16 0.00 -1.36 0.55 -2.24 -1.26 -5.00 114.28 101.81 1wfq n THR 72 Ca -0.43 -0.19 -0.12 0.00 -2.27 0.00 0.00 64.05 61.04 1wfq n THR 72 Cb 1.03 0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 69.86 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 1.92 1.24 3.85 3.38 0.00 -1.20 -4.93 105.19 109.44 1wfq n GLY 73 Ca -0.00 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.95 4.00 -0.54 1.61 -0.14 -1.26 -4.43 119.74 116.03 1wfq s LYS 74 Ca 0.00 0.79 -0.27 0.00 -1.36 0.00 0.00 55.97 55.13 1wfq s LYS 74 Cb 0.00 -2.30 -0.02 0.00 -1.68 0.00 0.00 37.83 33.83 1wfq s LYS 74 CO 0.00 -0.02 1.82 -1.25 -0.76 0.00 0.00 175.35 175.14 1wfq s PRO 75 N -3.45 2.83 0.24 -1.68 0.04 -1.26 -2.32 135.00 129.40 1wfq s PRO 75 Ca 0.56 0.79 0.10 0.00 0.04 0.00 0.00 61.00 62.50 1wfq s PRO 75 Cb -0.10 -4.33 -0.05 0.00 0.04 0.00 0.00 34.50 30.07 1wfq s PRO 75 CO 0.22 -2.49 -0.11 0.96 0.04 0.00 0.00 177.00 175.63 1wfq s ILE 76 N 8.41 2.97 0.38 0.56 -4.36 -0.11 -4.63 121.20 124.41 1wfq s ILE 76 Ca 0.69 -2.03 -0.11 0.00 -0.26 0.00 0.00 60.65 58.94 1wfq s ILE 76 Cb -0.15 -2.54 -0.07 0.00 1.25 0.00 0.00 42.46 40.96 1wfq s ILE 76 CO 0.24 -0.30 0.75 0.00 0.24 0.00 0.00 174.94 175.87 1wfq s ALA 77 N -2.18 3.36 0.11 2.27 0.00 -1.22 -0.48 121.76 123.61 1wfq s ALA 77 Ca 0.28 -0.17 -0.14 0.00 0.00 0.00 0.00 51.96 51.94 1wfq s ALA 77 Cb -0.07 -2.69 0.02 0.00 0.00 0.00 0.00 23.12 20.38 1wfq s ALA 77 CO 0.16 0.09 0.33 0.14 0.00 0.00 0.00 175.76 176.48 1wfq s VAL 78 N -2.26 0.09 -1.47 0.00 -7.23 -0.83 -4.48 120.40 104.21 1wfq s VAL 78 Ca 0.51 -0.75 -0.03 0.00 -1.81 0.00 0.00 61.98 59.90 1wfq s VAL 78 Cb -0.10 -1.20 0.03 0.00 0.56 0.00 0.00 36.38 35.67 1wfq s VAL 78 CO 0.28 -0.42 0.43 0.29 -0.31 0.00 0.00 175.10 175.38 1wfq n LYS 79 N -0.11 -3.00 -1.67 4.82 4.76 -1.22 -2.21 118.16 119.52 1wfq n LYS 79 Ca -0.16 0.36 -0.37 0.00 -2.87 0.00 0.00 58.31 55.27 1wfq n LYS 79 Cb 0.63 -4.52 0.07 0.00 -1.84 0.00 0.00 35.03 29.38 1wfq n LYS 79 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1wfq n LEU 80 N -4.42 5.74 -3.65 -0.35 7.94 -0.85 -4.62 117.00 116.79 1wfq n LEU 80 Ca -0.25 0.81 -0.05 0.00 -1.11 0.00 0.00 56.01 55.41 1wfq n LEU 80 Cb 0.65 -1.54 -0.07 0.00 0.53 0.00 0.00 43.42 43.00 1wfq n LEU 80 CO 0.78 -1.12 0.18 0.68 -1.11 0.00 0.00 177.39 176.79 1wfq s VAL 81 N -1.45 -0.70 0.21 1.96 -7.23 0.19 -2.05 120.40 111.34 1wfq s VAL 81 Ca 0.82 0.06 -0.32 0.00 -1.81 0.00 0.00 61.98 60.73 1wfq s VAL 81 Cb -0.38 -0.86 -0.12 0.00 0.56 0.00 0.00 36.38 35.58 1wfq s VAL 81 CO 0.41 0.03 1.65 1.17 -0.31 0.00 0.00 175.10 178.05 1wfq n LYS 82 N 5.21 2.58 -0.01 4.82 4.81 -1.26 0.12 118.16 134.44 1wfq n LYS 82 Ca -0.13 0.93 -0.13 0.00 -0.87 0.00 0.00 58.31 58.11 1wfq n LYS 82 Cb 0.51 -2.74 -0.10 0.00 0.02 0.00 0.00 35.03 32.72 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 3.64 1.38 -3.14 3.15 2.04 -1.89 -3.43 117.51 119.26 1wfq h ILE 83 Ca -0.44 -1.16 -0.58 0.00 1.00 0.00 0.00 64.86 63.68 1wfq h ILE 83 Cb 1.22 2.16 -0.06 0.00 -0.74 0.00 0.00 36.82 39.40 1wfq h ILE 83 CO 0.90 0.30 0.81 -0.94 0.00 0.00 0.00 178.15 179.23 1wfq s SER 84 N -5.69 7.06 0.00 1.72 1.04 -1.26 -4.73 113.70 111.83 1wfq s SER 84 Ca -0.16 1.30 0.00 0.00 0.48 0.00 0.00 55.95 57.57 1wfq s SER 84 Cb 0.02 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1wfq s SER 84 CO 0.67 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1wfq n GLY 85 N 3.46 -1.03 0.00 7.32 0.00 -1.26 -5.01 105.19 108.66 1wfq n GLY 85 Ca 0.12 0.27 0.05 0.00 0.00 0.00 0.00 46.02 46.46 1wfq n GLY 85 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfq n PRO 86 N 0.00 0.49 -1.69 1.61 -0.04 -1.26 -4.84 135.00 129.27 1wfq n PRO 86 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1wfq n PRO 86 Cb 0.00 -1.32 0.01 0.00 -0.04 0.00 0.00 33.50 32.15 1wfq n PRO 86 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wfq n SER 87 N -0.82 2.37 -3.82 3.54 7.64 -1.26 -4.96 113.62 116.31 1wfq n SER 87 Ca 0.08 1.11 -0.28 0.00 1.01 0.00 0.00 58.87 60.78 1wfq n SER 87 Cb 0.03 -1.48 0.24 0.00 -1.01 0.00 0.00 64.21 62.00 1wfq n SER 87 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfq n SER 88 N 0.29 -3.04 0.00 6.43 2.88 -1.26 -5.26 113.62 113.66 1wfq n SER 88 Ca 0.07 -0.48 0.00 0.00 -1.33 0.00 0.00 58.87 57.13 1wfq n SER 88 Cb 0.39 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 1wfq n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42