#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfz s SER 2 N 0.00 7.06 -0.06 1.61 0.01 -1.26 -5.03 113.70 116.03 1wfz s SER 2 Ca 0.00 1.31 -0.05 0.00 1.31 0.00 0.00 55.95 58.52 1wfz s SER 2 Cb 0.00 -2.51 0.02 0.00 0.21 0.00 0.00 66.02 63.74 1wfz s SER 2 CO 0.00 -0.53 0.15 -0.55 0.41 0.00 0.00 173.24 172.72 1wfz s SER 3 N 1.19 -0.16 0.00 2.44 0.15 -1.26 -5.13 113.70 110.93 1wfz s SER 3 Ca 0.42 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.38 1wfz s SER 3 Cb -0.16 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1wfz s SER 3 CO 0.10 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.09 1wfz n GLY 4 N 3.07 2.21 3.62 9.45 0.00 -1.26 -5.11 105.19 117.17 1wfz n GLY 4 Ca -0.13 0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1wfz n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfz s SER 5 N 0.00 6.59 -0.29 1.61 1.04 -1.26 -4.96 113.70 116.43 1wfz s SER 5 Ca 0.00 0.97 -0.18 0.00 0.48 0.00 0.00 55.95 57.22 1wfz s SER 5 Cb 0.00 -2.54 0.13 0.00 0.10 0.00 0.00 66.02 63.71 1wfz s SER 5 CO 0.00 -1.19 0.95 -0.94 0.98 0.00 0.00 173.24 173.03 1wfz s SER 6 N 2.99 -0.56 0.00 7.02 1.04 -1.26 -5.09 113.70 117.84 1wfz s SER 6 Ca 0.56 0.93 0.00 0.00 0.48 0.00 0.00 55.95 57.92 1wfz s SER 6 Cb -0.14 1.15 0.00 0.00 0.10 0.00 0.00 66.02 67.13 1wfz s SER 6 CO 0.27 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1wfz n GLY 7 N 3.39 -1.90 3.27 7.32 0.00 -1.26 -5.08 105.19 110.94 1wfz n GLY 7 Ca -0.17 0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 1wfz n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wfz s GLU 8 N -0.88 2.67 0.72 1.61 -6.30 -1.26 -5.07 118.70 110.18 1wfz s GLU 8 Ca 0.00 -1.57 -0.16 0.00 -2.50 0.00 0.00 54.97 50.74 1wfz s GLU 8 Cb 0.00 -3.94 0.01 0.00 0.00 0.00 0.00 34.13 30.20 1wfz s GLU 8 CO 0.00 -1.08 1.00 0.09 0.02 0.00 0.00 175.26 175.29 1wfz n ASN 9 N 5.00 0.62 -3.98 -1.70 4.13 -1.26 -4.99 115.26 113.07 1wfz n ASN 9 Ca -0.10 0.68 -0.30 0.00 1.68 0.00 0.00 54.58 56.54 1wfz n ASN 9 Cb 0.42 -1.42 0.23 0.00 -1.54 0.00 0.00 39.78 37.47 1wfz n ASN 9 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1wfz s PRO 10 N -3.35 -0.92 0.01 3.52 0.04 -1.26 -5.04 135.00 127.99 1wfz s PRO 10 Ca 0.74 0.04 -0.01 0.00 0.04 0.00 0.00 61.00 61.81 1wfz s PRO 10 Cb -0.35 -1.62 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 1wfz s PRO 10 CO 0.49 -3.53 -0.03 -2.13 0.04 0.00 0.00 177.00 171.84 1wfz n ARG 11 N -4.65 0.05 -0.31 4.56 0.00 -1.26 -4.73 116.66 110.32 1wfz n ARG 11 Ca 0.12 0.02 0.18 0.00 -0.00 0.00 0.00 57.85 58.16 1wfz n ARG 11 Cb 0.59 -0.59 0.34 0.00 0.00 0.00 0.00 32.46 32.80 1wfz n ARG 11 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1wfz n ASN 12 N -3.29 0.01 -4.09 6.15 3.02 -1.26 -4.45 115.26 111.34 1wfz n ASN 12 Ca -0.04 1.53 -0.58 0.00 -0.03 0.00 0.00 54.58 55.46 1wfz n ASN 12 Cb 0.35 -0.61 -0.11 0.00 -0.61 0.00 0.00 39.78 38.81 1wfz n ASN 12 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1wfz n VAL 13 N -5.25 0.00 -0.55 2.41 0.31 -1.26 -4.78 118.33 109.22 1wfz n VAL 13 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 1wfz n VAL 13 Cb 0.83 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 1wfz n VAL 13 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wfz n GLY 14 N 6.25 5.48 3.37 2.92 0.00 -1.26 -5.02 105.19 116.93 1wfz n GLY 14 Ca 0.46 -0.91 0.02 0.00 0.00 0.00 0.00 46.02 45.60 1wfz n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfz s SER 15 N 1.08 -0.61 0.46 1.61 1.04 -1.26 -4.86 113.70 111.16 1wfz s SER 15 Ca 0.00 0.77 0.05 0.00 0.48 0.00 0.00 55.95 57.25 1wfz s SER 15 Cb 0.00 1.67 0.02 0.00 0.10 0.00 0.00 66.02 67.80 1wfz s SER 15 CO 0.00 -0.12 0.63 -0.76 0.98 0.00 0.00 173.24 173.98 1wfz s LEU 16 N 2.53 3.56 -0.62 2.42 1.43 -1.26 -5.02 118.68 121.72 1wfz s LEU 16 Ca -0.02 -0.21 -0.27 0.00 -1.03 0.00 0.00 54.13 52.60 1wfz s LEU 16 Cb -0.07 -2.77 -0.01 0.00 0.03 0.00 0.00 46.19 43.37 1wfz s LEU 16 CO -0.17 -0.85 1.69 -0.62 0.23 0.00 0.00 176.35 176.63 1wfz s ASP 17 N -4.35 5.57 0.65 2.29 2.15 -1.26 -4.82 116.67 116.90 1wfz s ASP 17 Ca 0.54 0.20 0.42 0.00 0.43 0.00 0.00 52.55 54.14 1wfz s ASP 17 Cb -0.10 -2.54 2.28 0.00 -0.30 0.00 0.00 42.92 42.26 1wfz s ASP 17 CO 0.35 -2.17 2.33 0.07 -0.17 0.00 0.00 175.17 175.58 1wfz h LYS 18 N 13.41 0.00 -0.16 4.34 -0.00 -1.95 -2.14 116.57 130.07 1wfz h LYS 18 Ca -0.27 0.00 -0.10 0.00 -0.00 0.00 0.00 60.65 60.28 1wfz h LYS 18 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.36 1wfz h LYS 18 CO 1.22 0.00 -0.29 1.79 -0.00 0.00 0.00 179.45 182.17 1wfz h THR 19 N 0.00 1.35 -2.21 0.07 1.35 -1.89 -3.45 112.91 108.13 1wfz h THR 19 Ca -0.00 -1.53 -0.63 0.00 -0.55 0.00 0.00 66.41 63.71 1wfz h THR 19 Cb 0.04 1.93 0.08 0.00 -1.73 0.00 0.00 68.15 68.48 1wfz h THR 19 CO 0.00 0.46 0.34 -1.20 -0.25 0.00 0.00 175.52 174.87 1wfz n SER 20 N -4.38 1.69 0.08 5.36 7.64 -0.80 -4.86 113.62 118.35 1wfz n SER 20 Ca -0.06 1.15 0.13 0.00 1.01 0.00 0.00 58.87 61.09 1wfz n SER 20 Cb 0.47 -1.28 0.38 0.00 -1.01 0.00 0.00 64.21 62.77 1wfz n SER 20 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1wfz n LYS 21 N 1.67 0.23 0.09 1.43 0.00 -1.26 -3.40 118.16 116.91 1wfz n LYS 21 Ca 0.13 0.16 -0.04 0.00 -0.00 0.00 0.00 58.31 58.56 1wfz n LYS 21 Cb 0.27 -1.73 -0.01 0.00 -0.00 0.00 0.00 35.03 33.56 1wfz n LYS 21 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.40 174.45 1wfz h ASN 22 N 0.00 0.00 -3.62 -5.58 7.08 -1.89 -3.43 115.58 108.14 1wfz h ASN 22 Ca 0.00 0.00 -0.67 0.00 -3.08 0.00 0.00 56.30 52.55 1wfz h ASN 22 Cb 0.70 0.00 -0.24 0.00 -2.08 0.00 0.00 38.32 36.70 1wfz h ASN 22 CO 0.00 0.82 -0.59 0.54 -2.08 0.00 0.00 177.43 176.12 1wfz s VAL 23 N -3.01 4.25 0.39 6.14 0.11 -1.22 -0.53 120.40 126.54 1wfz s VAL 23 Ca 0.01 -0.55 -0.14 0.00 -2.93 0.00 0.00 61.98 58.37 1wfz s VAL 23 Cb 0.10 -3.17 -0.08 0.00 -1.53 0.00 0.00 36.38 31.71 1wfz s VAL 23 CO 0.79 0.09 0.80 -0.83 -3.33 0.00 0.00 175.10 172.62 1wfz s GLY 24 N 1.55 2.13 -0.18 6.54 0.00 -0.71 -4.76 107.32 111.90 1wfz s GLY 24 Ca 0.04 -0.01 0.01 0.00 0.00 0.00 0.00 44.72 44.75 1wfz s GLY 24 CO 0.04 0.20 -0.18 -1.59 0.00 0.00 0.00 173.10 171.57 1wfz s THR 25 N -2.26 2.20 -0.25 0.90 2.01 -1.26 -2.64 115.64 114.34 1wfz s THR 25 Ca 0.54 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.66 1wfz s THR 25 Cb -0.10 -1.93 0.06 0.00 0.01 0.00 0.00 72.50 70.54 1wfz s THR 25 CO 0.25 0.53 -0.05 -0.83 -0.69 0.00 0.00 174.62 173.83 1wfz s GLY 26 N 1.27 1.42 -0.17 4.40 0.00 0.30 -4.46 107.32 110.07 1wfz s GLY 26 Ca 0.04 -1.56 -0.03 0.00 0.00 0.00 0.00 44.72 43.17 1wfz s GLY 26 CO -0.11 0.88 -0.06 -2.27 0.00 0.00 0.00 173.10 171.54 1wfz s LEU 27 N 1.30 3.02 -0.15 0.66 2.96 -1.26 0.20 118.68 125.40 1wfz s LEU 27 Ca -0.05 -0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 53.57 1wfz s LEU 27 Cb -0.19 -1.73 0.07 0.00 0.50 0.00 0.00 46.19 44.83 1wfz s LEU 27 CO -0.07 0.10 0.15 0.68 -1.32 0.00 0.00 176.35 175.90 1wfz s VAL 28 N 0.74 -0.22 0.37 1.68 -7.23 -0.66 -4.97 120.40 110.12 1wfz s VAL 28 Ca -0.03 0.02 0.08 0.00 -1.81 0.00 0.00 61.98 60.24 1wfz s VAL 28 Cb -0.15 -0.52 -0.04 0.00 0.56 0.00 0.00 36.38 36.24 1wfz s VAL 28 CO 0.02 -0.12 0.23 -0.83 -0.31 0.00 0.00 175.10 174.09 1wfz s GLY 29 N 2.25 2.05 -0.14 2.32 0.00 -1.26 -3.23 107.32 109.31 1wfz s GLY 29 Ca 0.04 -1.87 -0.14 0.00 0.00 0.00 0.00 44.72 42.75 1wfz s GLY 29 CO -0.09 -1.75 0.33 0.00 0.00 0.00 0.00 173.10 171.59 1wfz s ALA 30 N -2.45 3.60 0.03 3.20 0.00 -0.71 -4.86 121.76 120.56 1wfz s ALA 30 Ca 0.41 -0.40 -0.21 0.00 0.00 0.00 0.00 51.96 51.77 1wfz s ALA 30 Cb -0.02 -2.41 -0.15 0.00 0.00 0.00 0.00 23.12 20.54 1wfz s ALA 30 CO 0.25 0.14 1.33 -1.00 0.00 0.00 0.00 175.76 176.48 1wfz h PRO 31 N 6.41 0.31 0.05 0.00 0.13 -1.96 0.15 132.00 137.09 1wfz h PRO 31 Ca -0.43 -0.16 -0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1wfz h PRO 31 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1wfz h PRO 31 CO 0.73 0.71 -0.03 0.00 -0.23 0.00 0.00 178.00 179.19 1wfz h ALA 32 N 0.60 -0.34 -0.89 -0.56 0.00 -2.00 -3.34 119.26 112.72 1wfz h ALA 32 Ca 0.02 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1wfz h ALA 32 Cb 0.65 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1wfz h ALA 32 CO 0.03 -0.34 0.58 0.00 0.00 0.00 0.00 179.25 179.52 1wfz n GLY 34 N -1.41 0.80 3.60 0.00 0.00 0.02 -4.90 105.19 103.30 1wfz n GLY 34 Ca 0.15 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 1wfz n GLY 34 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wfz s ASP 35 N -2.90 4.22 -0.33 1.61 1.01 -1.07 -4.72 116.67 114.49 1wfz s ASP 35 Ca 0.00 -0.81 -0.01 0.00 0.71 0.00 0.00 52.55 52.44 1wfz s ASP 35 Cb 0.00 -0.64 0.11 0.00 1.01 0.00 0.00 42.92 43.40 1wfz s ASP 35 CO 0.00 -0.03 0.14 -0.69 0.21 0.00 0.00 175.17 174.80 1wfz s VAL 36 N -2.41 0.59 -0.42 -1.27 1.01 -0.79 -1.74 120.40 115.36 1wfz s VAL 36 Ca 0.32 -1.44 -0.10 0.00 0.00 0.00 0.00 61.98 60.75 1wfz s VAL 36 Cb -0.05 -1.44 0.07 0.00 0.00 0.00 0.00 36.38 34.96 1wfz s VAL 36 CO 0.18 -0.77 0.27 -0.32 0.00 0.00 0.00 175.10 174.46 1wfz s MET 37 N 1.48 2.69 -0.47 2.72 1.75 -1.20 -1.40 119.30 124.87 1wfz s MET 37 Ca 0.12 -1.39 -0.16 0.00 -1.25 0.00 0.00 55.69 53.01 1wfz s MET 37 Cb -0.19 -3.82 0.06 0.00 2.84 0.00 0.00 34.83 33.72 1wfz s MET 37 CO -0.21 -0.93 0.42 0.21 -0.65 0.00 0.00 175.02 173.87 1wfz s LYS 38 N 1.47 3.01 0.05 4.11 2.20 0.33 -1.65 119.74 129.26 1wfz s LYS 38 Ca 0.03 -1.21 -0.13 0.00 -0.36 0.00 0.00 55.97 54.30 1wfz s LYS 38 Cb -0.23 -4.10 -0.06 0.00 -1.51 0.00 0.00 37.83 31.93 1wfz s LYS 38 CO 0.03 -1.02 0.44 -1.17 -0.36 0.00 0.00 175.35 173.27 1wfz s LEU 39 N 1.83 4.42 -0.09 5.43 2.96 0.13 -2.56 118.68 130.80 1wfz s LEU 39 Ca 0.06 0.95 -0.04 0.00 -0.22 0.00 0.00 54.13 54.89 1wfz s LEU 39 Cb -0.22 -2.83 0.05 0.00 0.50 0.00 0.00 46.19 43.68 1wfz s LEU 39 CO 0.08 0.24 0.19 -1.10 -1.32 0.00 0.00 176.35 174.44 1wfz s GLN 40 N -1.47 0.08 -0.06 1.98 -1.52 -0.98 -0.54 119.66 117.15 1wfz s GLN 40 Ca 0.29 0.58 0.03 0.00 -1.95 0.00 0.00 55.36 54.30 1wfz s GLN 40 Cb -0.16 -0.20 0.01 0.00 -0.22 0.00 0.00 33.01 32.45 1wfz s GLN 40 CO 0.16 -0.27 -0.14 0.96 -0.25 0.00 0.00 175.29 175.75 1wfz s ILE 41 N 2.10 1.22 -0.28 1.08 -5.25 -1.08 0.39 121.20 119.38 1wfz s ILE 41 Ca 0.00 -0.54 -0.17 0.00 -0.99 0.00 0.00 60.65 58.95 1wfz s ILE 41 Cb -0.12 -1.10 -0.03 0.00 2.95 0.00 0.00 42.46 44.17 1wfz s ILE 41 CO -0.07 0.37 0.45 -1.58 -1.79 0.00 0.00 174.94 172.33 1wfz s GLN 42 N 0.53 3.95 0.03 0.37 0.74 0.78 -1.73 119.66 124.32 1wfz s GLN 42 Ca -0.13 0.10 -0.08 0.00 0.05 0.00 0.00 55.36 55.30 1wfz s GLN 42 Cb -0.15 -3.69 -0.05 0.00 1.10 0.00 0.00 33.01 30.22 1wfz s GLN 42 CO 0.04 -0.38 0.32 0.08 -0.55 0.00 0.00 175.29 174.79 1wfz s VAL 43 N 2.22 5.22 0.43 1.34 1.01 0.31 -1.21 120.40 129.72 1wfz s VAL 43 Ca 0.18 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.48 1wfz s VAL 43 Cb -0.16 -3.60 0.08 0.00 0.00 0.00 0.00 36.38 32.71 1wfz s VAL 43 CO 0.10 0.36 0.59 -0.67 0.00 0.00 0.00 175.10 175.48 1wfz n ASP 44 N 1.12 0.95 -0.16 3.32 2.03 -0.95 -4.60 116.55 118.27 1wfz n ASP 44 Ca -0.11 -1.76 -0.01 0.00 0.52 0.00 0.00 54.79 53.43 1wfz n ASP 44 Cb 0.53 -0.37 0.23 0.00 -0.72 0.00 0.00 41.12 40.79 1wfz n ASP 44 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1wfz h GLU 45 N 0.00 0.88 0.00 -0.67 4.11 -1.99 -1.63 114.58 115.28 1wfz h GLU 45 Ca -0.20 -0.12 -0.05 0.00 0.07 0.00 0.00 59.36 59.07 1wfz h GLU 45 Cb 0.76 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1wfz h GLU 45 CO 0.22 0.69 -0.24 0.87 0.07 0.00 0.00 179.01 180.63 1wfz h LYS 46 N 0.88 0.00 0.00 1.06 1.57 -2.04 -3.46 116.57 114.58 1wfz h LYS 46 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1wfz h LYS 46 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1wfz h LYS 46 CO -0.03 0.24 0.00 0.41 -0.57 0.00 0.00 179.45 179.50 1wfz n GLY 47 N 0.14 1.40 3.56 3.86 0.00 -0.61 -5.09 105.19 108.45 1wfz n GLY 47 Ca 0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1wfz n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wfz s LYS 48 N -0.43 3.14 -0.23 1.61 2.36 -1.26 -3.10 119.74 121.84 1wfz s LYS 48 Ca 0.00 -0.52 -0.29 0.00 -2.55 0.00 0.00 55.97 52.62 1wfz s LYS 48 Cb 0.00 -2.74 -0.03 0.00 -1.05 0.00 0.00 37.83 34.00 1wfz s LYS 48 CO 0.00 0.51 1.79 0.42 1.55 0.00 0.00 175.35 179.61 1wfz s ILE 49 N -0.37 3.47 -0.14 5.43 1.01 -0.83 -2.23 121.20 127.55 1wfz s ILE 49 Ca 0.06 0.51 0.14 0.00 0.00 0.00 0.00 60.65 61.37 1wfz s ILE 49 Cb -0.12 -3.53 -0.24 0.00 0.01 0.00 0.00 42.46 38.58 1wfz s ILE 49 CO 0.02 -0.26 0.31 1.33 0.00 0.00 0.00 174.94 176.33 1wfz n VAL 50 N 6.84 1.49 -4.07 2.92 0.24 -0.35 -2.94 118.33 122.46 1wfz n VAL 50 Ca 0.22 -0.82 -0.13 0.00 -2.04 0.00 0.00 64.34 61.57 1wfz n VAL 50 Cb 0.45 -0.77 -0.12 0.00 -1.47 0.00 0.00 33.84 31.93 1wfz n VAL 50 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1wfz s ASP 51 N -5.82 0.67 -0.05 -1.34 1.01 -1.21 -4.88 116.67 105.06 1wfz s ASP 51 Ca -0.09 -0.37 -0.07 0.00 0.71 0.00 0.00 52.55 52.72 1wfz s ASP 51 Cb 0.07 0.01 0.01 0.00 1.01 0.00 0.00 42.92 44.02 1wfz s ASP 51 CO 0.82 -0.12 0.18 0.00 0.21 0.00 0.00 175.17 176.26 1wfz s ALA 52 N -0.92 -0.44 0.10 5.23 0.00 -1.26 -0.16 121.76 124.31 1wfz s ALA 52 Ca -0.06 0.35 0.03 0.00 0.00 0.00 0.00 51.96 52.28 1wfz s ALA 52 Cb -0.07 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1wfz s ALA 52 CO 0.00 -0.13 -0.09 1.03 0.00 0.00 0.00 175.76 176.57 1wfz s ARG 53 N -0.34 0.84 -0.08 0.00 1.81 0.16 -4.92 118.95 116.42 1wfz s ARG 53 Ca -0.04 -1.18 -0.03 0.00 -1.72 0.00 0.00 55.73 52.75 1wfz s ARG 53 Cb -0.03 -0.48 0.04 0.00 -0.45 0.00 0.00 34.95 34.03 1wfz s ARG 53 CO 0.01 0.07 0.17 -0.59 -0.68 0.00 0.00 175.30 174.28 1wfz s PHE 54 N -2.60 -0.21 -0.30 -0.53 -0.71 -1.26 -2.32 117.98 110.04 1wfz s PHE 54 Ca 0.06 0.61 -0.02 0.00 -1.04 0.00 0.00 56.93 56.54 1wfz s PHE 54 Cb -0.02 -0.11 0.10 0.00 -1.21 0.00 0.00 43.02 41.78 1wfz s PHE 54 CO -0.01 -0.22 0.11 0.21 -1.34 0.00 0.00 175.22 173.97 1wfz s LYS 55 N 1.60 0.53 -0.04 1.99 2.47 -1.06 -4.54 119.74 120.69 1wfz s LYS 55 Ca -0.05 -0.89 -0.00 0.00 -1.56 0.00 0.00 55.97 53.47 1wfz s LYS 55 Cb -0.12 -1.70 -0.03 0.00 -1.46 0.00 0.00 37.83 34.52 1wfz s LYS 55 CO -0.07 -1.00 0.01 0.99 0.16 0.00 0.00 175.35 175.44 1wfz s THR 56 N 1.78 4.28 -0.24 3.43 2.01 -1.25 -0.52 115.64 125.14 1wfz s THR 56 Ca 0.10 -0.40 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 1wfz s THR 56 Cb -0.17 -2.86 0.07 0.00 0.01 0.00 0.00 72.50 69.56 1wfz s THR 56 CO -0.29 0.49 0.01 -0.36 -0.69 0.00 0.00 174.62 173.78 1wfz s PHE 57 N -0.99 1.89 0.00 4.92 0.08 -0.50 -4.90 117.98 118.48 1wfz s PHE 57 Ca 0.17 -1.52 0.00 0.00 0.12 0.00 0.00 56.93 55.70 1wfz s PHE 57 Cb -0.11 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 40.85 1wfz s PHE 57 CO 0.06 -0.75 0.00 0.41 -0.10 0.00 0.00 175.22 174.85 1wfz n GLY 58 N 4.81 0.14 3.52 4.36 0.00 -1.26 -1.89 105.19 114.87 1wfz n GLY 58 Ca -0.08 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 1wfz n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfz h GLY 60 N -2.51 -0.20 -1.68 0.00 0.00 -2.00 -3.23 103.07 93.46 1wfz h GLY 60 Ca -0.57 0.07 0.49 0.00 0.00 0.00 0.00 47.33 47.32 1wfz h GLY 60 CO 0.47 -0.07 1.21 1.44 0.00 0.00 0.00 176.54 179.59 1wfz n SER 61 N -4.88 0.00 0.01 0.19 7.64 -1.26 0.23 113.62 115.56 1wfz n SER 61 Ca -0.06 0.86 -0.18 0.00 1.01 0.00 0.00 58.87 60.50 1wfz n SER 61 Cb 0.22 -0.43 -0.12 0.00 -1.01 0.00 0.00 64.21 62.88 1wfz n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wfz h ALA 62 N 0.86 0.03 -0.48 -0.43 0.00 -1.92 -2.45 119.26 114.87 1wfz h ALA 62 Ca 0.81 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1wfz h ALA 62 Cb 3.22 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 21.03 1wfz h ALA 62 CO -0.02 0.31 0.15 0.82 0.00 0.00 0.00 179.25 180.51 1wfz h ILE 63 N -0.24 1.19 0.35 0.00 2.04 0.29 -2.87 117.51 118.28 1wfz h ILE 63 Ca -0.08 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1wfz h ILE 63 Cb 1.34 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1wfz h ILE 63 CO 0.11 0.25 -0.17 0.00 0.00 0.00 0.00 178.15 178.34 1wfz h ALA 64 N 1.48 -0.56 -1.29 1.87 0.00 -1.27 -2.11 119.26 117.38 1wfz h ALA 64 Ca 0.16 -0.10 0.46 0.00 0.00 0.00 0.00 54.91 55.43 1wfz h ALA 64 Cb 0.20 0.18 -0.15 0.00 0.00 0.00 0.00 17.79 18.03 1wfz h ALA 64 CO -0.01 -0.53 0.80 0.45 0.00 0.00 0.00 179.25 179.97 1wfz n SER 65 N -4.51 0.24 0.11 0.00 2.88 -0.92 -0.58 113.62 110.83 1wfz n SER 65 Ca -0.06 1.45 -0.07 0.00 -1.33 0.00 0.00 58.87 58.86 1wfz n SER 65 Cb 0.19 -0.71 -0.04 0.00 -0.75 0.00 0.00 64.21 62.90 1wfz n SER 65 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1wfz h SER 66 N 0.00 -0.30 -1.00 -3.46 4.64 -1.53 -1.82 113.55 110.08 1wfz h SER 66 Ca 0.87 -0.05 0.38 0.00 -0.47 0.00 0.00 61.79 62.53 1wfz h SER 66 Cb 2.69 0.08 -0.18 0.00 -0.31 0.00 0.00 62.40 64.69 1wfz h SER 66 CO -0.54 0.17 0.47 0.77 -0.87 0.00 0.00 176.83 176.83 1wfz h SER 67 N -1.07 0.24 0.46 4.97 4.64 -0.12 1.31 113.55 123.97 1wfz h SER 67 Ca -0.04 0.25 -0.25 0.00 -0.47 0.00 0.00 61.79 61.28 1wfz h SER 67 Cb 0.33 0.28 0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1wfz h SER 67 CO 0.06 -0.39 -1.10 0.25 -0.87 0.00 0.00 176.83 174.79 1wfz h LEU 68 N 0.05 0.50 0.57 5.97 6.46 -1.35 -3.11 115.31 124.40 1wfz h LEU 68 Ca 0.80 -0.46 -0.03 0.00 -0.12 0.00 0.00 57.88 58.06 1wfz h LEU 68 Cb 2.02 -0.16 0.01 0.00 -0.73 0.00 0.00 40.66 41.80 1wfz h LEU 68 CO -0.77 1.31 -0.27 0.00 -0.62 0.00 0.00 178.44 178.09 1wfz h ALA 69 N 0.64 -0.76 -0.08 1.25 0.00 0.23 -2.58 119.26 117.97 1wfz h ALA 69 Ca -0.11 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1wfz h ALA 69 Cb 1.78 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.86 1wfz h ALA 69 CO 0.19 -0.71 0.36 0.00 0.00 0.00 0.00 179.25 179.09 1wfz h THR 70 N -1.20 0.08 0.00 0.00 1.03 -0.23 0.68 112.91 113.26 1wfz h THR 70 Ca -0.08 0.00 -0.09 0.00 -0.01 0.00 0.00 66.41 66.23 1wfz h THR 70 Cb 0.59 0.66 -0.01 0.00 -1.07 0.00 0.00 68.15 68.31 1wfz h THR 70 CO 0.13 0.00 -0.73 -0.08 -0.01 0.00 0.00 175.52 174.83 1wfz h GLU 71 N 0.00 0.00 0.06 0.00 4.81 -1.45 -3.31 114.58 114.69 1wfz h GLU 71 Ca 0.04 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.03 1wfz h GLU 71 Cb 0.75 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1wfz h GLU 71 CO -0.00 0.31 -1.10 -1.49 -0.73 0.00 0.00 179.01 175.99 1wfz h TRP 72 N 0.00 0.25 0.00 0.92 6.55 0.76 -3.23 115.95 121.21 1wfz h TRP 72 Ca -0.04 -0.18 -0.05 0.00 0.95 0.00 0.00 58.89 59.57 1wfz h TRP 72 Cb 1.33 -0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 29.61 1wfz h TRP 72 CO 0.00 1.13 -0.22 -0.39 -1.05 0.00 0.00 178.44 177.90 1wfz h VAL 73 N 0.04 0.82 -2.89 1.49 -1.51 -1.53 -3.40 116.25 109.28 1wfz h VAL 73 Ca -0.07 -0.89 -0.54 0.00 -1.23 0.00 0.00 66.70 63.97 1wfz h VAL 73 Cb 1.84 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 32.54 1wfz h VAL 73 CO 0.16 0.22 0.84 -0.54 -1.23 0.00 0.00 177.57 177.03 1wfz s LYS 74 N -4.12 4.28 0.00 5.19 1.02 -1.22 -2.56 119.74 122.33 1wfz s LYS 74 Ca -0.02 2.00 0.00 0.00 0.02 0.00 0.00 55.97 57.97 1wfz s LYS 74 Cb 0.13 -3.56 0.00 0.00 -0.52 0.00 0.00 37.83 33.88 1wfz s LYS 74 CO 0.65 -0.58 0.00 0.41 -0.92 0.00 0.00 175.35 174.90 1wfz n GLY 75 N 3.67 3.18 3.97 -3.33 0.00 -1.15 -5.03 105.19 106.50 1wfz n GLY 75 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1wfz n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wfz s LYS 76 N -0.43 3.25 0.27 1.61 1.02 -1.06 -4.88 119.74 119.53 1wfz s LYS 76 Ca 0.00 -0.90 -0.03 0.00 0.02 0.00 0.00 55.97 55.06 1wfz s LYS 76 Cb 0.00 -2.84 -0.05 0.00 -0.52 0.00 0.00 37.83 34.43 1wfz s LYS 76 CO 0.00 0.24 0.50 0.95 -0.92 0.00 0.00 175.35 176.13 1wfz s THR 77 N -2.09 5.08 0.30 2.17 -4.23 -1.26 -1.96 115.64 113.66 1wfz s THR 77 Ca 0.39 -0.11 0.02 0.00 -1.18 0.00 0.00 61.69 60.81 1wfz s THR 77 Cb -0.09 -3.74 0.40 0.00 1.34 0.00 0.00 72.50 70.40 1wfz s THR 77 CO 0.30 -0.30 1.58 -0.37 -0.54 0.00 0.00 174.62 175.29 1wfz h VAL 78 N 1.36 0.05 -0.65 2.29 -1.51 -1.91 0.74 116.25 116.61 1wfz h VAL 78 Ca -0.48 -0.01 0.09 0.00 -1.23 0.00 0.00 66.70 65.07 1wfz h VAL 78 Cb 1.19 0.03 -0.07 0.00 -2.13 0.00 0.00 31.29 30.31 1wfz h VAL 78 CO 0.66 0.00 0.30 -0.33 -1.23 0.00 0.00 177.57 176.98 1wfz h GLU 79 N 0.02 0.51 0.09 5.19 5.08 -1.94 -1.30 114.58 122.24 1wfz h GLU 79 Ca 0.59 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.92 1wfz h GLU 79 Cb 1.22 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1wfz h GLU 79 CO -0.89 0.34 -0.05 0.93 -1.00 0.00 0.00 179.01 178.34 1wfz h GLU 80 N 0.53 -0.12 -0.75 2.33 4.39 0.08 -2.99 114.58 118.05 1wfz h GLU 80 Ca 0.32 0.01 0.14 0.00 0.34 0.00 0.00 59.36 60.17 1wfz h GLU 80 Cb 0.34 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 28.93 1wfz h GLU 80 CO -0.27 0.06 0.30 0.00 -1.16 0.00 0.00 179.01 177.94 1wfz h ALA 81 N 0.61 1.05 -0.82 3.43 0.00 -0.83 0.16 119.26 122.85 1wfz h ALA 81 Ca -0.01 0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.23 1wfz h ALA 81 Cb 0.24 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1wfz h ALA 81 CO 0.02 -0.21 0.58 -0.07 0.00 0.00 0.00 179.25 179.57 1wfz h LEU 82 N 0.44 0.10 -0.52 0.00 -0.00 -1.10 0.60 115.31 114.84 1wfz h LEU 82 Ca 0.41 0.01 -0.06 0.00 -0.00 0.00 0.00 57.88 58.24 1wfz h LEU 82 Cb 0.61 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.25 1wfz h LEU 82 CO -0.40 0.04 -0.28 0.71 -0.00 0.00 0.00 178.44 178.52 1wfz h THR 83 N 0.10 0.54 -2.36 0.22 1.35 -0.66 -3.45 112.91 108.66 1wfz h THR 83 Ca 0.40 -1.48 -0.54 0.00 -0.55 0.00 0.00 66.41 64.25 1wfz h THR 83 Cb 1.43 2.04 0.02 0.00 -1.73 0.00 0.00 68.15 69.92 1wfz h THR 83 CO -0.05 0.27 1.21 -0.38 -0.25 0.00 0.00 175.52 176.32 1wfz n ILE 84 N -3.26 0.70 -3.30 6.82 5.41 0.21 -4.98 119.36 120.95 1wfz n ILE 84 Ca 0.02 -0.13 -0.21 0.00 1.00 0.00 0.00 62.75 63.43 1wfz n ILE 84 Cb 0.56 -2.27 0.04 0.00 -0.71 0.00 0.00 39.64 37.25 1wfz n ILE 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1wfz s LYS 85 N 4.16 2.33 -0.14 0.38 3.01 -1.26 -4.97 119.74 123.24 1wfz s LYS 85 Ca 0.88 -1.72 -0.10 0.00 -1.01 0.00 0.00 55.97 54.02 1wfz s LYS 85 Cb -0.45 -2.49 -0.24 0.00 -1.01 0.00 0.00 37.83 33.64 1wfz s LYS 85 CO 0.42 -0.73 0.31 0.27 0.51 0.00 0.00 175.35 176.13 1wfz n ASN 86 N -2.06 2.07 -0.33 2.83 0.23 -1.26 -4.25 115.26 112.49 1wfz n ASN 86 Ca 0.10 0.25 0.19 0.00 -0.53 0.00 0.00 54.58 54.58 1wfz n ASN 86 Cb 0.62 -0.88 0.36 0.00 -2.08 0.00 0.00 39.78 37.81 1wfz n ASN 86 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 1wfz n THR 87 N -3.69 -0.41 0.28 5.53 5.66 -1.26 -0.09 114.28 120.31 1wfz n THR 87 Ca -0.33 2.10 -0.16 0.00 -3.05 0.00 0.00 64.05 62.61 1wfz n THR 87 Cb 0.97 -3.15 -0.08 0.00 -1.55 0.00 0.00 70.33 66.52 1wfz n THR 87 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 1wfz h ASP 88 N 0.00 -0.85 0.08 1.09 1.82 -2.00 -2.38 116.42 114.18 1wfz h ASP 88 Ca 0.65 0.06 0.01 0.00 -0.39 0.00 0.00 57.03 57.35 1wfz h ASP 88 Cb 1.46 0.26 -0.03 0.00 0.68 0.00 0.00 39.33 41.70 1wfz h ASP 88 CO -0.87 -0.50 -0.34 0.40 -1.61 0.00 0.00 179.24 176.31 1wfz h ILE 89 N -0.79 0.00 -1.00 2.25 2.04 -0.68 0.38 117.51 119.72 1wfz h ILE 89 Ca -0.05 0.00 0.36 0.00 1.00 0.00 0.00 64.86 66.17 1wfz h ILE 89 Cb 0.66 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.56 1wfz h ILE 89 CO 0.03 0.00 0.36 0.00 0.00 0.00 0.00 178.15 178.53 1wfz h ALA 90 N -0.92 1.80 0.00 1.87 0.00 -1.32 1.91 119.26 122.61 1wfz h ALA 90 Ca -0.00 0.29 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 1wfz h ALA 90 Cb 0.49 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1wfz h ALA 90 CO -0.18 -0.80 -0.78 -0.22 0.00 0.00 0.00 179.25 177.26 1wfz h LYS 91 N 0.02 0.00 0.00 0.00 3.64 -0.75 -0.11 116.57 119.37 1wfz h LYS 91 Ca 0.76 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 60.14 1wfz h LYS 91 Cb 1.86 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.68 1wfz h LYS 91 CO -0.82 0.78 -0.00 0.93 -2.27 0.00 0.00 179.45 178.07 1wfz h GLU 92 N 0.00 -0.00 0.00 1.90 4.39 0.71 -3.12 114.58 118.47 1wfz h GLU 92 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1wfz h GLU 92 Cb 1.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 1wfz h GLU 92 CO 0.10 0.37 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.09 1wfz h LEU 93 N -0.37 0.00 -1.89 1.33 4.07 -1.00 -3.48 115.31 113.96 1wfz h LEU 93 Ca -0.00 -0.03 -0.27 0.00 0.08 0.00 0.00 57.88 57.66 1wfz h LEU 93 Cb 0.37 0.00 0.15 0.00 1.08 0.00 0.00 40.66 42.26 1wfz h LEU 93 CO 0.00 0.02 -0.68 0.00 -1.08 0.00 0.00 178.44 176.70 1wfz s LEU 95 N -5.58 4.01 1.02 0.00 0.05 -0.89 -5.04 118.68 112.25 1wfz s LEU 95 Ca 0.09 1.01 -0.13 0.00 0.05 0.00 0.00 54.13 55.15 1wfz s LEU 95 Cb -0.01 -3.83 0.20 0.00 -2.05 0.00 0.00 46.19 40.50 1wfz s LEU 95 CO 0.63 -0.24 1.09 -2.16 -0.55 0.00 0.00 176.35 175.12 1wfz s PRO 96 N -3.37 0.27 0.19 1.48 0.04 -1.26 -4.93 135.00 127.43 1wfz s PRO 96 Ca 0.49 0.47 0.21 0.00 0.04 0.00 0.00 61.00 62.21 1wfz s PRO 96 Cb -0.11 -1.72 0.88 0.00 0.04 0.00 0.00 34.50 33.60 1wfz s PRO 96 CO 0.26 -2.83 1.64 -0.35 0.04 0.00 0.00 177.00 175.77 1wfz n PRO 97 N -4.23 0.14 0.03 0.56 -0.04 -1.26 -2.47 135.00 127.72 1wfz n PRO 97 Ca 0.05 0.38 -0.07 0.00 -0.04 0.00 0.00 63.50 63.82 1wfz n PRO 97 Cb 0.57 -1.78 -0.12 0.00 -0.04 0.00 0.00 33.50 32.14 1wfz n PRO 97 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1wfz h VAL 98 N 0.00 1.28 -0.47 0.52 3.04 -2.05 -3.28 116.25 115.29 1wfz h VAL 98 Ca 0.00 -3.04 0.00 0.00 -1.01 0.00 0.00 66.70 62.65 1wfz h VAL 98 Cb 0.33 2.63 0.00 0.00 -2.01 0.00 0.00 31.29 32.23 1wfz h VAL 98 CO 0.00 0.73 0.00 0.29 -1.01 0.00 0.00 177.57 177.58 1wfz n LYS 99 N -3.20 3.94 -0.19 4.17 4.76 -1.03 -4.44 118.16 122.17 1wfz n LYS 99 Ca -0.07 -2.47 -0.04 0.00 -2.87 0.00 0.00 58.31 52.86 1wfz n LYS 99 Cb 0.98 -2.05 0.06 0.00 -1.84 0.00 0.00 35.03 32.18 1wfz n LYS 99 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1wfz h LEU 100 N 3.21 0.46 -0.89 -0.35 3.38 -1.62 -2.37 115.31 117.13 1wfz h LEU 100 Ca 0.00 0.02 0.30 0.00 0.09 0.00 0.00 57.88 58.30 1wfz h LEU 100 Cb 1.60 -0.07 -0.16 0.00 0.09 0.00 0.00 40.66 42.11 1wfz h LEU 100 CO 0.36 0.31 0.23 0.00 0.09 0.00 0.00 178.44 179.43 1wfz n HIS 101 N -4.83 0.79 0.31 1.13 1.44 -1.26 0.30 115.22 113.09 1wfz n HIS 101 Ca 0.06 1.07 -0.16 0.00 -2.01 0.00 0.00 57.72 56.67 1wfz n HIS 101 Cb 0.13 -1.31 -0.09 0.00 0.12 0.00 0.00 29.99 28.85 1wfz n HIS 101 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1wfz n SER 103 N -5.39 -0.72 -0.21 0.00 3.41 0.15 -0.21 113.62 110.65 1wfz n SER 103 Ca -0.12 1.46 -0.06 0.00 -0.26 0.00 0.00 58.87 59.88 1wfz n SER 103 Cb 0.32 -0.28 0.03 0.00 -0.26 0.00 0.00 64.21 64.02 1wfz n SER 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wfz h MET 104 N 0.00 0.82 -0.92 4.33 -0.00 -1.52 -2.61 114.93 115.03 1wfz h MET 104 Ca 0.11 -0.08 0.26 0.00 -0.00 0.00 0.00 59.70 59.99 1wfz h MET 104 Cb 0.28 -0.17 -0.15 0.00 -0.00 0.00 0.00 31.60 31.56 1wfz h MET 104 CO -0.64 0.60 0.33 1.25 -0.00 0.00 0.00 176.91 178.46 1wfz h LEU 105 N 0.82 0.14 -0.93 -0.10 5.85 0.12 0.90 115.31 122.11 1wfz h LEU 105 Ca 0.22 0.20 -0.10 0.00 0.84 0.00 0.00 57.88 59.03 1wfz h LEU 105 Cb -0.00 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1wfz h LEU 105 CO -0.04 -0.16 -0.37 0.00 -0.34 0.00 0.00 178.44 177.54 1wfz h ALA 106 N 1.81 1.10 0.09 1.25 0.00 -0.76 -2.53 119.26 120.22 1wfz h ALA 106 Ca 0.61 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1wfz h ALA 106 Cb 1.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1wfz h ALA 106 CO -0.65 0.58 -0.05 1.49 0.00 0.00 0.00 179.25 180.62 1wfz h GLU 107 N 0.27 -0.12 -0.84 0.00 4.81 0.76 -3.08 114.58 116.38 1wfz h GLU 107 Ca 0.03 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.39 1wfz h GLU 107 Cb 0.78 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 30.10 1wfz h GLU 107 CO 0.06 0.38 0.45 0.22 -0.73 0.00 0.00 179.01 179.40 1wfz h ASP 108 N -0.73 0.59 -0.09 1.04 3.58 -0.62 -2.00 116.42 118.20 1wfz h ASP 108 Ca -0.01 0.07 0.04 0.00 0.42 0.00 0.00 57.03 57.55 1wfz h ASP 108 Cb 0.56 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.54 1wfz h ASP 108 CO 0.02 0.29 -0.15 0.00 -2.88 0.00 0.00 179.24 176.52 1wfz h ALA 109 N 1.52 -0.10 -0.03 -0.78 0.00 -1.50 -1.70 119.26 116.67 1wfz h ALA 109 Ca 0.44 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.40 1wfz h ALA 109 Cb 0.54 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1wfz h ALA 109 CO -0.31 -0.61 -0.33 0.82 0.00 0.00 0.00 179.25 178.81 1wfz h ILE 110 N -0.20 0.00 -0.43 0.00 2.04 -1.27 -1.14 117.51 116.51 1wfz h ILE 110 Ca 0.08 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.00 1wfz h ILE 110 Cb 0.32 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.31 1wfz h ILE 110 CO -0.21 0.00 -0.51 0.11 0.00 0.00 0.00 178.15 177.54 1wfz h LYS 111 N -0.39 -0.35 -0.95 2.37 6.56 -1.40 0.10 116.57 122.52 1wfz h LYS 111 Ca 0.01 0.02 0.28 0.00 -1.06 0.00 0.00 60.65 59.91 1wfz h LYS 111 Cb 0.43 0.08 -0.15 0.00 -0.57 0.00 0.00 32.23 32.02 1wfz h LYS 111 CO -0.24 -0.23 0.40 0.00 -2.06 0.00 0.00 179.45 177.33 1wfz h ALA 112 N 0.17 1.63 0.05 3.86 0.00 -1.00 0.13 119.26 124.10 1wfz h ALA 112 Ca 0.10 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1wfz h ALA 112 Cb 0.59 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1wfz h ALA 112 CO -0.60 -0.53 -0.03 0.00 0.00 0.00 0.00 179.25 178.09 1wfz h ALA 113 N 1.83 -0.97 -0.32 0.00 0.00 0.48 -0.64 119.26 119.64 1wfz h ALA 113 Ca 0.65 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.62 1wfz h ALA 113 Cb 1.42 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 19.21 1wfz h ALA 113 CO -0.64 -0.96 -0.31 -0.07 0.00 0.00 0.00 179.25 177.27 1wfz h LEU 114 N -0.08 -1.00 -0.10 0.00 -0.00 -0.92 -1.89 115.31 111.33 1wfz h LEU 114 Ca -0.01 0.17 0.01 0.00 -0.00 0.00 0.00 57.88 58.06 1wfz h LEU 114 Cb 0.06 0.46 -0.03 0.00 -0.00 0.00 0.00 40.66 41.16 1wfz h LEU 114 CO 0.01 -0.32 -0.20 0.00 -0.00 0.00 0.00 178.44 177.94 1wfz h ALA 115 N 0.72 -0.53 -0.96 1.53 0.00 -0.80 0.54 119.26 119.77 1wfz h ALA 115 Ca 0.15 -0.01 0.30 0.00 0.00 0.00 0.00 54.91 55.35 1wfz h ALA 115 Cb 0.52 0.80 -0.17 0.00 0.00 0.00 0.00 17.79 18.94 1wfz h ALA 115 CO -0.48 -0.61 0.26 0.22 0.00 0.00 0.00 179.25 178.64 1wfz h ASP 116 N -0.17 -0.05 -0.53 0.00 1.82 -0.84 0.70 116.42 117.35 1wfz h ASP 116 Ca 0.02 0.24 -0.02 0.00 -0.39 0.00 0.00 57.03 56.88 1wfz h ASP 116 Cb 0.23 0.33 -0.02 0.00 0.68 0.00 0.00 39.33 40.54 1wfz h ASP 116 CO -0.19 -0.29 0.26 0.22 -1.61 0.00 0.00 179.24 177.63 1wfz h TYR 117 N 0.10 0.76 -0.57 0.28 3.20 -0.34 -2.83 116.97 117.57 1wfz h TYR 117 Ca 0.65 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 62.41 1wfz h TYR 117 Cb 1.47 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.48 1wfz h TYR 117 CO -0.27 0.59 0.04 0.87 -1.64 0.00 0.00 178.16 177.76 1wfz h LYS 118 N 0.71 0.97 -0.86 1.82 1.57 0.24 -2.97 116.57 118.05 1wfz h LYS 118 Ca 0.18 -0.29 0.22 0.00 -1.87 0.00 0.00 60.65 58.90 1wfz h LYS 118 Cb 0.11 -0.10 -0.13 0.00 0.08 0.00 0.00 32.23 32.19 1wfz h LYS 118 CO -0.02 0.95 0.26 -0.07 -0.57 0.00 0.00 179.45 180.00 1wfz h LEU 119 N 0.86 0.08 -1.16 2.94 3.38 -0.51 0.88 115.31 121.79 1wfz h LEU 119 Ca 0.17 0.18 -0.08 0.00 0.09 0.00 0.00 57.88 58.24 1wfz h LEU 119 Cb 0.48 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1wfz h LEU 119 CO 0.02 -0.11 -0.38 0.11 0.09 0.00 0.00 178.44 178.18 1wfz h LYS 120 N 0.26 0.00 -0.02 1.13 1.57 -1.47 0.13 116.57 118.18 1wfz h LYS 120 Ca 0.54 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 59.15 1wfz h LYS 120 Cb 1.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 1wfz h LYS 120 CO -0.61 0.38 -0.74 1.96 -0.57 0.00 0.00 179.45 179.87 1wfz h GLN 121 N 0.00 0.13 0.00 3.15 1.08 0.77 -3.23 115.11 117.01 1wfz h GLN 121 Ca -0.00 -0.11 -0.24 0.00 -1.45 0.00 0.00 58.65 56.85 1wfz h GLN 121 Cb 0.77 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.18 1wfz h GLN 121 CO 0.05 0.81 -1.54 1.05 -0.95 0.00 0.00 178.83 178.25 1wfz h GLU 122 N 0.08 0.00 -5.98 1.46 4.11 -0.71 -3.42 114.58 110.12 1wfz h GLU 122 Ca -0.02 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.78 1wfz h GLU 122 Cb 1.30 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.46 1wfz h GLU 122 CO 0.11 0.43 1.71 -1.12 0.07 0.00 0.00 179.01 180.20 1wfz s SER 123 N -5.99 6.62 -0.26 3.06 0.01 0.45 -4.79 113.70 112.79 1wfz s SER 123 Ca -0.04 -1.81 0.03 0.00 1.31 0.00 0.00 55.95 55.45 1wfz s SER 123 Cb 0.08 -2.57 0.43 0.00 0.21 0.00 0.00 66.02 64.18 1wfz s SER 123 CO 0.82 -1.38 1.53 2.29 0.41 0.00 0.00 173.24 176.91 1wfz n LYS 124 N 8.62 2.03 -2.38 12.44 2.85 -1.26 -4.86 118.16 135.60 1wfz n LYS 124 Ca 0.38 -1.89 -0.37 0.00 -1.05 0.00 0.00 58.31 55.37 1wfz n LYS 124 Cb 0.49 -1.77 -0.03 0.00 -0.65 0.00 0.00 35.03 33.06 1wfz n LYS 124 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1wfz s SER 125 N -0.44 5.97 -0.05 -5.58 0.01 -1.26 -4.95 113.70 107.40 1wfz s SER 125 Ca 0.35 -0.86 -0.37 0.00 1.31 0.00 0.00 55.95 56.38 1wfz s SER 125 Cb 0.29 -2.56 -0.15 0.00 0.21 0.00 0.00 66.02 63.81 1wfz s SER 125 CO 0.07 -1.97 1.61 0.61 0.41 0.00 0.00 173.24 173.97 1wfz n GLY 126 N 6.44 0.87 0.17 3.44 0.00 -1.26 -4.88 105.19 109.97 1wfz n GLY 126 Ca 0.27 0.80 -0.13 0.00 0.00 0.00 0.00 46.02 46.96 1wfz n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfz h PRO 127 N 6.46 0.53 -0.49 1.61 0.13 -1.92 -3.31 132.00 135.00 1wfz h PRO 127 Ca -0.47 -0.28 0.05 0.00 -0.87 0.00 0.00 66.00 64.43 1wfz h PRO 127 Cb 1.31 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.37 1wfz h PRO 127 CO 0.89 0.86 -0.48 1.03 -0.23 0.00 0.00 178.00 180.06 1wfz h SER 128 N 0.21 -1.66 -0.34 1.44 0.87 -2.03 -3.20 113.55 108.84 1wfz h SER 128 Ca 0.03 0.23 -0.20 0.00 -1.23 0.00 0.00 61.79 60.63 1wfz h SER 128 Cb 0.77 0.70 -0.02 0.00 -0.44 0.00 0.00 62.40 63.40 1wfz h SER 128 CO 0.05 -0.30 0.62 -0.55 -0.53 0.00 0.00 176.83 176.12 1wfz s SER 129 N -4.82 4.37 0.00 6.23 0.15 -1.25 -5.32 113.70 113.07 1wfz s SER 129 Ca -0.12 -1.27 0.00 0.00 0.70 0.00 0.00 55.95 55.26 1wfz s SER 129 Cb 0.08 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1wfz s SER 129 CO 0.52 -3.74 0.00 0.61 1.20 0.00 0.00 173.24 171.83