#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 5.14 -1.41 1.61 0.01 -1.26 -3.38 113.70 114.41 1wfq s SER 2 Ca 0.00 -0.76 -0.07 0.00 1.31 0.00 0.00 55.95 56.43 1wfq s SER 2 Cb 0.00 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.68 1wfq s SER 2 CO 0.00 -2.77 0.98 -1.20 0.41 0.00 0.00 173.24 170.66 1wfq n SER 3 N 14.00 -6.26 -3.82 2.44 7.64 -1.26 -4.99 113.62 121.36 1wfq n SER 3 Ca 0.41 -0.45 -0.24 0.00 1.01 0.00 0.00 58.87 59.60 1wfq n SER 3 Cb 0.47 -4.95 -0.17 0.00 -1.01 0.00 0.00 64.21 58.54 1wfq n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfq s GLY 4 N -3.11 0.60 -0.65 0.23 0.00 -1.22 -5.09 107.32 98.10 1wfq s GLY 4 Ca 0.48 -0.28 -0.07 0.00 0.00 0.00 0.00 44.72 44.85 1wfq s GLY 4 CO 0.60 1.00 0.50 -0.45 0.00 0.00 0.00 173.10 174.75 1wfq s SER 5 N 1.85 5.73 0.27 1.64 0.15 -1.26 -1.19 113.70 120.88 1wfq s SER 5 Ca 0.05 -2.62 0.07 0.00 0.70 0.00 0.00 55.95 54.14 1wfq s SER 5 Cb -0.12 -1.98 -0.03 0.00 -1.71 0.00 0.00 66.02 62.18 1wfq s SER 5 CO -0.06 -0.49 0.26 -0.44 1.20 0.00 0.00 173.24 173.72 1wfq s SER 6 N 1.47 5.67 0.00 5.45 0.01 -1.26 -5.06 113.70 119.98 1wfq s SER 6 Ca 0.15 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.18 1wfq s SER 6 Cb -0.19 -1.41 0.00 0.00 0.21 0.00 0.00 66.02 64.64 1wfq s SER 6 CO -0.04 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1wfq n GLY 7 N -1.29 2.39 0.00 3.44 0.00 -1.26 -5.08 105.19 103.40 1wfq n GLY 7 Ca -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 3.35 -0.02 0.00 -1.26 -5.16 105.19 102.10 1wfq n GLY 8 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 1.96 0.22 1.61 1.13 -1.26 -3.19 117.35 117.82 1wfq s TYR 9 Ca 0.00 -0.42 -0.30 0.00 -1.41 0.00 0.00 57.07 54.94 1wfq s TYR 9 Cb 0.00 -1.01 -0.09 0.00 -1.10 0.00 0.00 41.96 39.76 1wfq s TYR 9 CO 0.00 0.34 1.29 -1.25 -2.51 0.00 0.00 175.55 173.42 1wfq s PRO 10 N -2.47 4.40 0.13 -3.49 0.04 -1.26 -5.07 135.00 127.28 1wfq s PRO 10 Ca 0.14 2.05 -0.34 0.00 0.04 0.00 0.00 61.00 62.89 1wfq s PRO 10 Cb -0.08 -3.18 -0.17 0.00 0.04 0.00 0.00 34.50 31.12 1wfq s PRO 10 CO 0.07 -0.21 1.17 0.27 0.04 0.00 0.00 177.00 178.34 1wfq n ASN 11 N 2.32 1.16 -2.71 6.66 6.94 -1.19 -4.91 115.26 123.53 1wfq n ASN 11 Ca 0.05 1.14 -0.07 0.00 -0.02 0.00 0.00 54.58 55.67 1wfq n ASN 11 Cb 0.43 -1.16 0.09 0.00 -2.36 0.00 0.00 39.78 36.78 1wfq n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1wfq n GLY 12 N 2.10 0.21 4.34 4.83 0.00 -1.26 -4.98 105.19 110.43 1wfq n GLY 12 Ca 0.17 0.17 -0.36 0.00 0.00 0.00 0.00 46.02 46.00 1wfq n GLY 12 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wfq n THR 13 N 0.27 -0.88 -1.01 2.61 -2.24 -1.26 -4.79 114.28 106.98 1wfq n THR 13 Ca 0.02 -0.20 -0.19 0.00 -2.27 0.00 0.00 64.05 61.41 1wfq n THR 13 Cb 0.72 -1.17 0.02 0.00 -2.10 0.00 0.00 70.33 67.80 1wfq n THR 13 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1wfq n SER 14 N -2.69 6.46 -4.94 3.42 3.41 -1.26 -4.93 113.62 113.10 1wfq n SER 14 Ca -0.07 -3.09 -0.24 0.00 -0.26 0.00 0.00 58.87 55.21 1wfq n SER 14 Cb 0.56 -1.10 -0.00 0.00 -0.26 0.00 0.00 64.21 63.41 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 -1.77 3.65 0.01 7.33 0.00 -1.26 -5.04 121.76 124.68 1wfq s ALA 15 Ca 0.37 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 51.16 1wfq s ALA 15 Cb 0.27 -2.22 -0.06 0.00 0.00 0.00 0.00 23.12 21.12 1wfq s ALA 15 CO -0.04 -0.18 1.37 0.00 0.00 0.00 0.00 175.76 176.91 1wfq s ALA 16 N -2.47 3.56 -0.34 0.00 0.00 -1.26 -5.00 121.76 116.27 1wfq s ALA 16 Ca 0.44 0.88 0.03 0.00 0.00 0.00 0.00 51.96 53.31 1wfq s ALA 16 Cb -0.10 -3.58 0.10 0.00 0.00 0.00 0.00 23.12 19.55 1wfq s ALA 16 CO 0.38 -0.85 0.06 -1.17 0.00 0.00 0.00 175.76 174.18 1wfq s LEU 17 N 2.19 4.35 -0.05 0.00 1.98 -1.26 -5.09 118.68 120.81 1wfq s LEU 17 Ca 0.63 -2.08 -0.30 0.00 -2.89 0.00 0.00 54.13 49.50 1wfq s LEU 17 Cb -0.31 -1.50 -0.06 0.00 0.66 0.00 0.00 46.19 44.97 1wfq s LEU 17 CO 0.27 -0.39 1.74 -0.13 -1.89 0.00 0.00 176.35 175.95 1wfq s ARG 18 N 1.02 4.12 0.20 1.98 1.81 -1.26 -4.50 118.95 122.31 1wfq s ARG 18 Ca 0.11 2.26 -0.01 0.00 -1.72 0.00 0.00 55.73 56.36 1wfq s ARG 18 Cb -0.19 -4.04 -0.04 0.00 -0.45 0.00 0.00 34.95 30.23 1wfq s ARG 18 CO -0.11 -0.93 0.39 -1.21 -0.68 0.00 0.00 175.30 172.76 1wfq s GLU 19 N 4.24 3.53 -0.01 3.54 0.41 0.18 -4.87 118.70 125.72 1wfq s GLU 19 Ca 0.78 -0.32 0.05 0.00 -0.41 0.00 0.00 54.97 55.07 1wfq s GLU 19 Cb -0.35 -2.84 -0.01 0.00 -1.78 0.00 0.00 34.13 29.15 1wfq s GLU 19 CO 0.33 0.41 -0.16 0.95 -0.49 0.00 0.00 175.26 176.29 1wfq s THR 20 N -1.85 1.25 0.00 3.63 -4.23 -1.26 -0.51 115.64 112.68 1wfq s THR 20 Ca 0.39 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 60.22 1wfq s THR 20 Cb -0.11 -1.05 0.00 0.00 1.34 0.00 0.00 72.50 72.68 1wfq s THR 20 CO 0.29 0.36 0.00 0.61 -0.54 0.00 0.00 174.62 175.33 1wfq n GLY 21 N 2.72 3.51 3.43 3.99 0.00 -1.15 -3.79 105.19 113.89 1wfq n GLY 21 Ca -0.15 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.53 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 2.36 0.02 -0.98 1.61 0.11 -0.70 -3.94 120.40 118.88 1wfq s VAL 22 Ca 0.00 -0.15 -0.24 0.00 -2.93 0.00 0.00 61.98 58.66 1wfq s VAL 22 Cb 0.00 -0.92 0.04 0.00 -1.53 0.00 0.00 36.38 33.96 1wfq s VAL 22 CO 0.00 -0.08 1.49 -0.63 -3.33 0.00 0.00 175.10 172.55 1wfq s ILE 23 N -1.67 3.85 0.09 7.04 -1.09 -1.16 0.13 121.20 128.39 1wfq s ILE 23 Ca -0.09 -0.62 -0.19 0.00 -2.23 0.00 0.00 60.65 57.52 1wfq s ILE 23 Cb -0.01 -4.93 -0.08 0.00 -1.58 0.00 0.00 42.46 35.85 1wfq s ILE 23 CO 0.05 -1.82 1.56 -0.08 -1.23 0.00 0.00 174.94 173.41 1wfq h GLU 24 N 10.02 0.38 -4.17 2.79 4.81 -1.56 -1.75 114.58 125.11 1wfq h GLU 24 Ca 0.15 -0.10 -0.17 0.00 -0.13 0.00 0.00 59.36 59.10 1wfq h GLU 24 Cb 1.01 -0.04 -0.19 0.00 0.63 0.00 0.00 28.75 30.16 1wfq h GLU 24 CO 1.39 0.52 -0.70 0.21 -0.73 0.00 0.00 179.01 179.70 1wfq s LYS 25 N -5.18 0.45 -0.09 1.92 2.36 -0.88 -4.85 119.74 113.47 1wfq s LYS 25 Ca -0.14 -0.83 -0.08 0.00 -2.55 0.00 0.00 55.97 52.37 1wfq s LYS 25 Cb 0.07 0.06 0.02 0.00 -1.05 0.00 0.00 37.83 36.94 1wfq s LYS 25 CO 0.73 -0.05 0.23 -1.17 1.55 0.00 0.00 175.35 176.64 1wfq s LEU 26 N -1.95 1.10 0.00 5.43 2.96 -1.26 0.43 118.68 125.38 1wfq s LEU 26 Ca -0.07 0.46 0.03 0.00 -0.22 0.00 0.00 54.13 54.32 1wfq s LEU 26 Cb -0.04 0.77 -0.01 0.00 0.50 0.00 0.00 46.19 47.41 1wfq s LEU 26 CO -0.03 -0.08 0.09 0.18 -1.32 0.00 0.00 176.35 175.19 1wfq n LEU 27 N 3.03 0.00 0.20 -0.68 4.32 0.29 -4.94 117.00 119.21 1wfq n LEU 27 Ca -0.13 -1.82 0.12 0.00 -0.02 0.00 0.00 56.01 54.16 1wfq n LEU 27 Cb 0.58 0.64 0.20 0.00 -1.62 0.00 0.00 43.42 43.22 1wfq n LEU 27 CO 0.19 -0.28 0.79 0.74 -1.22 0.00 0.00 177.39 177.61 1wfq h THR 28 N 1.42 0.00 0.00 -5.08 2.02 -2.04 -3.33 112.91 105.89 1wfq h THR 28 Ca -0.18 -0.92 -0.35 0.00 0.77 0.00 0.00 66.41 65.73 1wfq h THR 28 Cb 0.70 1.91 -0.06 0.00 -1.74 0.00 0.00 68.15 68.96 1wfq h THR 28 CO 0.28 0.00 -2.31 -1.20 0.37 0.00 0.00 175.52 172.66 1wfq n SER 29 N -2.97 1.98 -2.40 4.18 7.64 -1.26 -5.02 113.62 115.78 1wfq n SER 29 Ca 0.04 -0.11 -0.03 0.00 1.01 0.00 0.00 58.87 59.78 1wfq n SER 29 Cb 0.52 -0.20 0.02 0.00 -1.01 0.00 0.00 64.21 63.54 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 -3.11 -1.38 -3.93 1.43 0.18 -1.25 -3.33 117.16 105.76 1wfq n TYR 30 Ca -0.40 -0.98 -0.09 0.00 1.88 0.00 0.00 57.90 58.31 1wfq n TYR 30 Cb 0.96 0.48 -0.06 0.00 -0.38 0.00 0.00 39.34 40.34 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 -2.72 0.39 -0.02 -7.48 0.00 -0.30 0.11 107.32 97.30 1wfq s GLY 31 Ca 0.13 -0.75 0.04 0.00 0.00 0.00 0.00 44.72 44.15 1wfq s GLY 31 CO 0.05 -0.63 -0.13 -1.36 0.00 0.00 0.00 173.10 171.03 1wfq s PHE 32 N -3.97 2.73 -0.19 1.90 0.40 0.17 -0.27 117.98 118.75 1wfq s PHE 32 Ca 0.18 -0.14 0.01 0.00 -0.60 0.00 0.00 56.93 56.38 1wfq s PHE 32 Cb 0.01 -1.59 0.02 0.00 0.51 0.00 0.00 43.02 41.97 1wfq s PHE 32 CO 0.03 0.25 -0.18 0.42 0.70 0.00 0.00 175.22 176.44 1wfq s ILE 33 N -0.84 2.15 -0.52 0.64 1.01 -0.36 -1.39 121.20 121.88 1wfq s ILE 33 Ca 0.14 -0.98 -0.28 0.00 0.00 0.00 0.00 60.65 59.52 1wfq s ILE 33 Cb -0.11 -1.94 0.02 0.00 0.01 0.00 0.00 42.46 40.45 1wfq s ILE 33 CO 0.03 0.48 1.27 -1.58 0.00 0.00 0.00 174.94 175.13 1wfq s GLN 34 N 1.28 3.53 -0.29 2.79 2.00 0.35 -0.00 119.66 129.32 1wfq s GLN 34 Ca 0.04 0.49 -0.28 0.00 -2.00 0.00 0.00 55.36 53.60 1wfq s GLN 34 Cb -0.14 -4.01 -0.03 0.00 0.80 0.00 0.00 33.01 29.63 1wfq s GLN 34 CO -0.12 -1.65 1.92 0.00 -0.50 0.00 0.00 175.29 174.94 1wfq n SER 36 N 10.58 0.10 -0.07 0.00 7.64 -1.25 -0.51 113.62 130.12 1wfq n SER 36 Ca 0.25 -1.89 -0.09 0.00 1.01 0.00 0.00 58.87 58.14 1wfq n SER 36 Cb 0.46 -0.01 -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 -0.50 0.32 0.00 1.43 1.02 -1.26 -4.66 120.64 116.99 1wfq n GLU 37 Ca 0.03 0.08 0.08 0.00 -0.02 0.00 0.00 57.16 57.33 1wfq n GLU 37 Cb 0.03 -1.24 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 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 -2.93 1.67 -3.42 3.49 1.85 -1.22 -4.99 116.66 111.10 1wfq n ARG 38 Ca -0.23 -0.55 -0.21 0.00 -1.00 0.00 0.00 57.85 55.86 1wfq n ARG 38 Cb 0.74 -1.28 0.07 0.00 -1.05 0.00 0.00 32.46 30.94 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 -0.55 -6.81 -4.38 2.89 1.13 0.33 -5.01 117.38 104.99 1wfq n GLN 39 Ca 0.06 0.73 -0.19 0.00 -1.94 0.00 0.00 57.00 55.65 1wfq n GLN 39 Cb 0.32 -5.45 -0.15 0.00 0.11 0.00 0.00 30.24 25.07 1wfq n GLN 39 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wfq s ALA 40 N -3.27 0.78 -0.41 -1.58 0.00 -1.16 -4.95 121.76 111.18 1wfq s ALA 40 Ca 0.50 -0.39 -0.27 0.00 0.00 0.00 0.00 51.96 51.80 1wfq s ALA 40 Cb -0.22 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1wfq s ALA 40 CO 0.62 0.18 0.99 -0.98 0.00 0.00 0.00 175.76 176.56 1wfq s ARG 41 N -0.17 3.77 0.60 0.00 1.70 -1.26 -0.27 118.95 123.32 1wfq s ARG 41 Ca 0.03 0.53 -0.01 0.00 -0.47 0.00 0.00 55.73 55.81 1wfq s ARG 41 Cb -0.04 -3.85 0.04 0.00 -0.57 0.00 0.00 34.95 30.53 1wfq s ARG 41 CO -0.00 -1.10 0.85 -0.51 -1.08 0.00 0.00 175.30 173.46 1wfq s LEU 42 N 3.76 3.13 -0.28 -1.89 1.43 0.99 -4.90 118.68 120.92 1wfq s LEU 42 Ca 0.41 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 1wfq s LEU 42 Cb -0.11 -2.94 0.08 0.00 0.03 0.00 0.00 46.19 43.25 1wfq s LEU 42 CO 0.23 -1.29 -0.00 0.12 0.23 0.00 0.00 176.35 175.63 1wfq s PHE 43 N -2.92 2.84 -0.12 0.29 5.36 -1.26 -1.22 117.98 120.96 1wfq s PHE 43 Ca 0.58 -2.23 -0.06 0.00 -0.96 0.00 0.00 56.93 54.26 1wfq s PHE 43 Cb -0.10 -2.08 -0.04 0.00 -0.34 0.00 0.00 43.02 40.45 1wfq s PHE 43 CO 0.40 -0.86 0.12 -0.59 -1.46 0.00 0.00 175.22 172.83 1wfq s PHE 44 N 1.23 3.52 0.03 10.12 -0.12 0.63 -3.03 117.98 130.36 1wfq s PHE 44 Ca 0.02 0.47 -0.15 0.00 -0.05 0.00 0.00 56.93 57.21 1wfq s PHE 44 Cb -0.19 -1.92 -0.06 0.00 -0.63 0.00 0.00 43.02 40.23 1wfq s PHE 44 CO -0.10 0.68 0.45 -1.58 -0.05 0.00 0.00 175.22 174.62 1wfq s HIS 45 N -0.98 3.72 -0.04 3.49 5.65 -1.26 -1.15 115.29 124.71 1wfq s HIS 45 Ca 0.15 1.03 0.16 0.00 0.25 0.00 0.00 55.06 56.64 1wfq s HIS 45 Cb -0.12 -2.32 0.85 0.00 -1.18 0.00 0.00 32.58 29.81 1wfq s HIS 45 CO 0.04 0.61 1.41 0.00 -0.65 0.00 0.00 174.74 176.14 1wfq h SER 47 N 0.00 0.11 0.17 0.00 4.64 -1.92 -3.34 113.55 113.22 1wfq h SER 47 Ca 0.00 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 1wfq h SER 47 Cb 0.42 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1wfq h SER 47 CO 0.00 1.10 -0.08 1.56 -0.87 0.00 0.00 176.83 178.54 1wfq h GLN 48 N 0.02 -0.22 -6.32 4.77 1.08 -0.65 -3.43 115.11 110.36 1wfq h GLN 48 Ca -0.08 0.02 -0.65 0.00 -1.45 0.00 0.00 58.65 56.49 1wfq h GLN 48 Cb 1.85 0.05 0.04 0.00 -0.05 0.00 0.00 27.48 29.37 1wfq h GLN 48 CO 0.14 -0.02 0.77 0.98 -0.95 0.00 0.00 178.83 179.75 1wfq n TYR 49 N -5.12 2.00 0.10 2.96 9.36 -1.22 -2.97 117.16 122.28 1wfq n TYR 49 Ca -0.09 0.38 -0.23 0.00 3.32 0.00 0.00 57.90 61.28 1wfq n TYR 49 Cb 0.17 -2.48 -0.14 0.00 -0.63 0.00 0.00 39.34 36.25 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 6.35 0.78 0.00 2.98 -1.07 -1.76 -3.46 115.58 119.41 1wfq h ASN 50 Ca -0.47 -0.88 0.00 0.00 0.07 0.00 0.00 56.30 55.02 1wfq h ASN 50 Cb 1.29 -0.25 0.00 0.00 -2.07 0.00 0.00 38.32 37.29 1wfq h ASN 50 CO 0.88 1.60 0.00 0.61 0.07 0.00 0.00 177.43 180.59 1wfq n GLY 51 N 1.55 -2.91 3.00 9.14 0.00 -1.26 -4.99 105.19 109.71 1wfq n GLY 51 Ca -0.15 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.88 3.73 0.24 1.61 2.47 -1.26 -5.00 114.94 114.85 1wfq s ASN 52 Ca 0.00 -1.06 0.07 0.00 0.42 0.00 0.00 52.86 52.29 1wfq s ASN 52 Cb 0.00 -1.29 0.73 0.00 -1.45 0.00 0.00 41.25 39.23 1wfq s ASN 52 CO 0.00 -0.17 1.14 0.18 -3.72 0.00 0.00 177.10 174.53 1wfq n LEU 53 N 4.63 0.05 -0.29 3.21 7.99 -1.26 0.12 117.00 131.45 1wfq n LEU 53 Ca -0.14 1.23 0.05 0.00 -0.01 0.00 0.00 56.01 57.13 1wfq n LEU 53 Cb 0.45 -0.51 0.14 0.00 -0.11 0.00 0.00 43.42 43.39 1wfq n LEU 53 CO 0.20 -1.29 0.74 1.56 -1.51 0.00 0.00 177.39 177.08 1wfq h GLN 54 N 0.00 0.02 -0.42 3.23 4.20 -2.01 0.54 115.11 120.67 1wfq h GLN 54 Ca 0.51 -0.00 -0.09 0.00 0.06 0.00 0.00 58.65 59.13 1wfq h GLN 54 Cb 1.20 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 1wfq h GLN 54 CO -0.64 0.02 -0.10 -0.44 -0.67 0.00 0.00 178.83 177.00 1wfq h ASP 55 N 0.02 0.73 -4.07 1.46 3.32 0.55 -3.43 116.42 114.99 1wfq h ASP 55 Ca 0.43 -0.21 -0.51 0.00 0.02 0.00 0.00 57.03 56.76 1wfq h ASP 55 Cb 0.71 -0.20 0.08 0.00 0.22 0.00 0.00 39.33 40.14 1wfq h ASP 55 CO -0.82 0.86 0.46 -0.22 -1.72 0.00 0.00 179.24 177.79 1wfq s LEU 56 N -9.01 3.80 0.18 1.55 2.96 0.19 -5.05 118.68 113.30 1wfq s LEU 56 Ca -0.09 2.26 -0.17 0.00 -0.22 0.00 0.00 54.13 55.91 1wfq s LEU 56 Cb 0.14 -4.49 0.03 0.00 0.50 0.00 0.00 46.19 42.37 1wfq s LEU 56 CO 0.81 -1.22 0.50 -1.59 -1.32 0.00 0.00 176.35 173.54 1wfq s LYS 57 N -3.14 1.32 -0.42 1.98 -2.85 -1.26 -4.93 119.74 110.44 1wfq s LYS 57 Ca 0.71 -0.83 -0.29 0.00 -1.00 0.00 0.00 55.97 54.56 1wfq s LYS 57 Cb -0.27 0.51 0.01 0.00 -2.06 0.00 0.00 37.83 36.02 1wfq s LYS 57 CO 0.30 -0.55 1.42 0.08 0.10 0.00 0.00 175.35 176.70 1wfq s VAL 58 N -3.86 3.89 0.00 1.79 1.01 -1.26 -3.19 120.40 118.78 1wfq s VAL 58 Ca 0.08 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.96 1wfq s VAL 58 Cb -0.00 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1wfq s VAL 58 CO -0.05 -0.77 0.00 0.61 0.00 0.00 0.00 175.10 174.89 1wfq n GLY 59 N 5.10 1.87 3.33 4.51 0.00 -0.66 -4.98 105.19 114.35 1wfq n GLY 59 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 3.15 0.29 1.61 1.01 -1.19 -4.90 116.67 114.64 1wfq s ASP 60 Ca 0.00 -0.44 -0.29 0.00 0.71 0.00 0.00 52.55 52.52 1wfq s ASP 60 Cb 0.00 -0.42 -0.10 0.00 1.01 0.00 0.00 42.92 43.41 1wfq s ASP 60 CO 0.00 0.32 1.30 -1.81 0.21 0.00 0.00 175.17 175.19 1wfq s ASP 61 N -0.60 6.84 -0.13 0.27 1.01 -1.26 -2.96 116.67 119.84 1wfq s ASP 61 Ca 0.10 2.58 -0.15 0.00 0.71 0.00 0.00 52.55 55.79 1wfq s ASP 61 Cb -0.10 -2.64 0.04 0.00 1.01 0.00 0.00 42.92 41.23 1wfq s ASP 61 CO -0.01 -0.50 0.40 0.68 0.21 0.00 0.00 175.17 175.95 1wfq s VAL 62 N -0.78 0.01 -0.12 -1.27 -7.23 -1.25 -3.28 120.40 106.48 1wfq s VAL 62 Ca 0.51 -0.07 -0.07 0.00 -1.81 0.00 0.00 61.98 60.53 1wfq s VAL 62 Cb -0.38 -0.58 -0.04 0.00 0.56 0.00 0.00 36.38 35.93 1wfq s VAL 62 CO 0.48 -0.04 0.15 -0.70 -0.31 0.00 0.00 175.10 174.67 1wfq s GLU 63 N -0.07 3.52 0.32 4.82 2.12 0.10 -2.96 118.70 126.56 1wfq s GLU 63 Ca -0.02 -0.12 -0.03 0.00 0.36 0.00 0.00 54.97 55.16 1wfq s GLU 63 Cb -0.03 -3.21 -0.00 0.00 0.26 0.00 0.00 34.13 31.14 1wfq s GLU 63 CO 0.01 0.74 0.43 -0.59 -0.54 0.00 0.00 175.26 175.31 1wfq s PHE 64 N -0.91 1.04 -0.11 5.30 -0.71 0.34 0.04 117.98 122.98 1wfq s PHE 64 Ca 0.15 -1.26 0.03 0.00 -1.04 0.00 0.00 56.93 54.80 1wfq s PHE 64 Cb -0.12 -0.15 0.01 0.00 -1.21 0.00 0.00 43.02 41.55 1wfq s PHE 64 CO 0.04 -1.05 -0.19 -2.00 -1.34 0.00 0.00 175.22 170.67 1wfq s GLU 65 N -3.30 2.60 -0.23 1.99 2.12 -0.69 0.52 118.70 121.71 1wfq s GLU 65 Ca 0.31 -0.71 -0.29 0.00 0.36 0.00 0.00 54.97 54.64 1wfq s GLU 65 Cb 0.00 -2.08 0.01 0.00 0.26 0.00 0.00 34.13 32.33 1wfq s GLU 65 CO 0.19 0.04 1.05 0.08 -0.54 0.00 0.00 175.26 176.09 1wfq s VAL 66 N 0.68 4.65 0.47 3.70 1.01 -1.26 -1.41 120.40 128.25 1wfq s VAL 66 Ca -0.12 1.99 0.02 0.00 0.00 0.00 0.00 61.98 63.88 1wfq s VAL 66 Cb -0.16 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.91 1wfq s VAL 66 CO 0.03 -0.19 0.07 -0.55 0.00 0.00 0.00 175.10 174.46 1wfq s SER 67 N 1.26 3.53 -0.30 3.32 0.15 -0.35 -4.96 113.70 116.35 1wfq s SER 67 Ca 0.45 -1.70 0.02 0.00 0.70 0.00 0.00 55.95 55.41 1wfq s SER 67 Cb -0.15 0.60 0.07 0.00 -1.71 0.00 0.00 66.02 64.83 1wfq s SER 67 CO 0.07 -0.93 -0.02 -0.94 1.20 0.00 0.00 173.24 172.61 1wfq s SER 68 N -3.76 4.69 1.08 5.45 1.04 -1.26 -2.07 113.70 118.86 1wfq s SER 68 Ca 0.12 -1.62 -0.21 0.00 0.48 0.00 0.00 55.95 54.73 1wfq s SER 68 Cb 0.01 -1.63 0.03 0.00 0.10 0.00 0.00 66.02 64.53 1wfq s SER 68 CO 0.08 -0.28 -0.42 -0.67 0.98 0.00 0.00 173.24 172.93 1wfq n ASP 69 N 4.44 -2.58 -0.00 7.02 2.03 -1.08 -4.82 116.55 121.56 1wfq n ASP 69 Ca -0.08 -0.11 0.05 0.00 0.52 0.00 0.00 54.79 55.16 1wfq n ASP 69 Cb 0.42 -0.81 -0.06 0.00 -0.72 0.00 0.00 41.12 39.95 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 -0.78 2.42 -0.10 -0.67 3.00 -1.26 -3.24 116.66 116.03 1wfq n ARG 70 Ca 0.00 -0.04 -0.20 0.00 -0.01 0.00 0.00 57.85 57.61 1wfq n ARG 70 Cb 0.64 -1.07 -0.12 0.00 0.00 0.00 0.00 32.46 31.92 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 -1.47 0.66 -0.00 5.56 5.12 -1.26 -4.63 116.66 120.64 1wfq n ARG 71 Ca 0.00 0.19 0.04 0.00 -1.93 0.00 0.00 57.85 56.15 1wfq n ARG 71 Cb 0.19 -1.56 -0.06 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 -3.42 0.00 -1.42 0.55 -2.24 -1.26 -4.99 114.28 101.49 1wfq n THR 72 Ca -0.44 -0.22 -0.14 0.00 -2.27 0.00 0.00 64.05 60.97 1wfq n THR 72 Cb 0.98 0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 69.69 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 1.78 1.41 3.87 3.38 0.00 -1.20 -4.95 105.19 109.49 1wfq n GLY 73 Ca -0.01 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.18 3.82 -0.54 1.61 -0.14 -1.26 -4.52 119.74 115.53 1wfq s LYS 74 Ca 0.00 0.37 -0.27 0.00 -1.36 0.00 0.00 55.97 54.71 1wfq s LYS 74 Cb 0.00 -2.54 -0.02 0.00 -1.68 0.00 0.00 37.83 33.59 1wfq s LYS 74 CO 0.00 0.19 1.82 -1.25 -0.76 0.00 0.00 175.35 175.34 1wfq s PRO 75 N -3.20 2.85 0.36 -1.68 0.04 -1.26 -2.62 135.00 129.49 1wfq s PRO 75 Ca 0.49 0.81 0.09 0.00 0.04 0.00 0.00 61.00 62.43 1wfq s PRO 75 Cb -0.11 -4.32 -0.06 0.00 0.04 0.00 0.00 34.50 30.06 1wfq s PRO 75 CO 0.24 -2.46 0.04 0.96 0.04 0.00 0.00 177.00 175.82 1wfq s ILE 76 N 8.35 2.54 0.29 0.56 -4.36 -0.88 -4.59 121.20 123.11 1wfq s ILE 76 Ca 0.69 -1.92 -0.09 0.00 -0.26 0.00 0.00 60.65 59.07 1wfq s ILE 76 Cb -0.15 -2.85 -0.07 0.00 1.25 0.00 0.00 42.46 40.65 1wfq s ILE 76 CO 0.24 -0.15 0.62 0.00 0.24 0.00 0.00 174.94 175.89 1wfq s ALA 77 N -2.54 3.51 0.08 2.27 0.00 -1.17 -1.21 121.76 122.70 1wfq s ALA 77 Ca 0.36 -0.30 -0.14 0.00 0.00 0.00 0.00 51.96 51.88 1wfq s ALA 77 Cb 0.01 -2.50 0.02 0.00 0.00 0.00 0.00 23.12 20.66 1wfq s ALA 77 CO 0.20 0.31 0.32 0.14 0.00 0.00 0.00 175.76 176.73 1wfq s VAL 78 N -2.03 0.09 -1.40 0.00 -7.23 -0.50 -4.47 120.40 104.87 1wfq s VAL 78 Ca 0.48 -0.74 -0.01 0.00 -1.81 0.00 0.00 61.98 59.91 1wfq s VAL 78 Cb -0.11 -1.12 -0.00 0.00 0.56 0.00 0.00 36.38 35.71 1wfq s VAL 78 CO 0.25 -0.41 0.43 0.29 -0.31 0.00 0.00 175.10 175.35 1wfq n LYS 79 N 0.12 -3.29 -1.78 4.82 5.02 -1.25 -1.70 118.16 120.10 1wfq n LYS 79 Ca -0.17 0.41 -0.36 0.00 -2.02 0.00 0.00 58.31 56.17 1wfq n LYS 79 Cb 0.62 -4.53 0.06 0.00 -0.02 0.00 0.00 35.03 31.16 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 -6.95 3.55 -0.22 -0.35 2.96 -1.16 -4.57 118.68 111.94 1wfq s LEU 80 Ca 0.01 2.45 -0.12 0.00 -0.22 0.00 0.00 54.13 56.25 1wfq s LEU 80 Cb -0.00 -4.60 0.07 0.00 0.50 0.00 0.00 46.19 42.15 1wfq s LEU 80 CO 0.89 -1.89 0.53 0.68 -1.32 0.00 0.00 176.35 175.24 1wfq s VAL 81 N -1.63 -0.08 -0.07 1.68 -7.23 0.11 -2.48 120.40 110.71 1wfq s VAL 81 Ca 0.78 0.06 -0.30 0.00 -1.81 0.00 0.00 61.98 60.71 1wfq s VAL 81 Cb -0.32 -0.78 -0.06 0.00 0.56 0.00 0.00 36.38 35.78 1wfq s VAL 81 CO 0.38 0.02 1.69 -0.75 -0.31 0.00 0.00 175.10 176.14 1wfq s LYS 82 N 1.60 4.11 0.06 4.82 2.20 -1.26 0.03 119.74 131.31 1wfq s LYS 82 Ca -0.09 2.17 -0.31 0.00 -0.36 0.00 0.00 55.97 57.38 1wfq s LYS 82 Cb -0.07 -4.02 -0.16 0.00 -1.51 0.00 0.00 37.83 32.07 1wfq s LYS 82 CO -0.16 -0.93 1.47 0.82 -0.36 0.00 0.00 175.35 176.19 1wfq h ILE 83 N 5.68 0.00 -2.80 5.43 2.04 -1.88 -3.36 117.51 122.62 1wfq h ILE 83 Ca -0.40 0.00 -0.70 0.00 1.00 0.00 0.00 64.86 64.77 1wfq h ILE 83 Cb 1.18 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 37.07 1wfq h ILE 83 CO 0.96 0.00 0.46 -0.44 0.00 0.00 0.00 178.15 179.13 1wfq s SER 84 N -3.86 6.43 0.00 1.72 0.01 -1.26 -4.71 113.70 112.03 1wfq s SER 84 Ca -0.16 -1.76 0.00 0.00 1.31 0.00 0.00 55.95 55.34 1wfq s SER 84 Cb 0.03 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1wfq s SER 84 CO 0.50 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.68 1wfq n GLY 85 N 5.19 -0.61 3.64 3.44 0.00 -1.26 -5.07 105.19 110.52 1wfq n GLY 85 Ca 0.07 0.39 -0.43 0.00 0.00 0.00 0.00 46.02 46.05 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 3.97 0.28 1.61 0.04 -1.26 -4.83 135.00 134.82 1wfq s PRO 86 Ca 0.00 1.81 -0.29 0.00 0.04 0.00 0.00 61.00 62.56 1wfq s PRO 86 Cb 0.00 -3.98 -0.10 0.00 0.04 0.00 0.00 34.50 30.46 1wfq s PRO 86 CO 0.00 -1.08 1.36 0.45 0.04 0.00 0.00 177.00 177.77 1wfq s SER 87 N 3.64 6.75 0.02 6.66 0.15 -1.26 -5.03 113.70 124.62 1wfq s SER 87 Ca 0.69 2.64 0.04 0.00 0.70 0.00 0.00 55.95 60.02 1wfq s SER 87 Cb -0.27 -2.63 -0.02 0.00 -1.71 0.00 0.00 66.02 61.39 1wfq s SER 87 CO 0.27 -0.60 -0.11 -0.94 1.20 0.00 0.00 173.24 173.06 1wfq s SER 88 N -0.05 1.32 0.00 5.45 1.04 -1.26 -5.25 113.70 114.94 1wfq s SER 88 Ca 0.54 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1wfq s SER 88 Cb -0.40 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.63 1wfq s SER 88 CO 0.47 0.03 0.00 0.61 0.98 0.00 0.00 173.24 175.33