#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wfb s SER 2 N 0.00 7.41 -0.25 0.00 1.04 -1.26 -4.64 113.70 116.00 2wfb s SER 2 Ca 0.00 1.90 -0.06 0.00 0.48 0.00 0.00 55.95 58.26 2wfb s SER 2 Cb 0.00 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.51 2wfb s SER 2 CO 0.00 -0.13 0.04 -1.00 0.98 0.00 0.00 173.24 173.12 2wfb s HIS 3 N -0.02 3.06 0.36 5.02 4.02 -0.12 -4.85 115.29 122.77 2wfb s HIS 3 Ca 0.48 -0.68 0.08 0.00 1.02 0.00 0.00 55.06 55.96 2wfb s HIS 3 Cb -0.25 -2.20 0.81 0.00 -1.02 0.00 0.00 32.58 29.91 2wfb s HIS 3 CO 0.31 -0.46 1.91 1.98 1.02 0.00 0.00 174.74 179.51 2wfb h MET 4 N 8.20 0.68 -0.12 1.40 1.85 -1.89 -0.76 114.93 124.29 2wfb h MET 4 Ca -0.38 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 58.67 2wfb h MET 4 Cb 1.16 -0.15 0.00 0.00 0.43 0.00 0.00 31.60 33.04 2wfb h MET 4 CO 0.59 0.45 0.00 1.04 -0.40 0.00 0.00 176.91 178.59 2wfb n GLN 5 N -4.51 1.31 -3.45 0.39 6.02 -1.26 -4.41 117.38 111.47 2wfb n GLN 5 Ca 0.14 -0.48 -0.43 0.00 -0.01 0.00 0.00 57.00 56.21 2wfb n GLN 5 Cb 0.37 -1.18 -0.09 0.00 1.02 0.00 0.00 30.24 30.35 2wfb n GLN 5 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2wfb s ARG 6 N -1.85 2.95 -0.30 -1.09 1.81 -0.34 -0.34 118.95 119.79 2wfb s ARG 6 Ca 0.16 -1.16 -0.09 0.00 -1.72 0.00 0.00 55.73 52.92 2wfb s ARG 6 Cb 0.08 -4.01 -0.01 0.00 -0.45 0.00 0.00 34.95 30.56 2wfb s ARG 6 CO 0.12 -0.85 0.14 0.42 -0.68 0.00 0.00 175.30 174.45 2wfb s ILE 7 N 1.65 4.58 -0.05 1.52 1.01 0.41 -0.71 121.20 129.61 2wfb s ILE 7 Ca 0.04 -0.35 -0.15 0.00 0.00 0.00 0.00 60.65 60.19 2wfb s ILE 7 Cb -0.21 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.91 2wfb s ILE 7 CO 0.08 0.12 0.40 0.00 0.00 0.00 0.00 174.94 175.55 2wfb s ALA 8 N 1.62 3.64 -0.08 9.38 0.00 0.28 -0.37 121.76 136.23 2wfb s ALA 8 Ca 0.05 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.77 2wfb s ALA 8 Cb -0.17 -2.44 0.02 0.00 0.00 0.00 0.00 23.12 20.53 2wfb s ALA 8 CO 0.06 0.32 -0.11 0.08 0.00 0.00 0.00 175.76 176.11 2wfb s VAL 9 N -0.49 1.12 0.28 0.00 1.01 -0.12 -0.18 120.40 122.03 2wfb s VAL 9 Ca 0.23 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.48 2wfb s VAL 9 Cb -0.16 -1.06 -0.12 0.00 0.00 0.00 0.00 36.38 35.04 2wfb s VAL 9 CO 0.11 0.36 1.62 0.35 0.00 0.00 0.00 175.10 177.55 2wfb n THR 10 N 4.20 0.88 -3.98 3.92 -2.24 -0.61 -1.12 114.28 115.33 2wfb n THR 10 Ca -0.19 -0.22 -0.09 0.00 -2.27 0.00 0.00 64.05 61.28 2wfb n THR 10 Cb 0.51 -1.99 -0.11 0.00 -2.10 0.00 0.00 70.33 66.65 2wfb n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wfb s ALA 11 N 0.17 0.12 -2.01 6.98 0.00 0.57 -1.25 121.76 126.33 2wfb s ALA 11 Ca 0.65 -0.64 0.27 0.00 0.00 0.00 0.00 51.96 52.24 2wfb s ALA 11 Cb -0.49 0.18 0.90 0.00 0.00 0.00 0.00 23.12 23.70 2wfb s ALA 11 CO 0.46 -0.21 1.65 0.39 0.00 0.00 0.00 175.76 178.05 2wfb n GLU 12 N 1.27 1.12 -3.92 0.00 1.02 -1.25 -2.25 120.64 116.64 2wfb n GLU 12 Ca -0.22 -0.64 0.00 0.00 -0.02 0.00 0.00 57.16 56.28 2wfb n GLU 12 Cb 0.56 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 2wfb n GLU 12 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wfb n GLY 13 N 1.28 -2.36 3.79 0.62 0.00 -1.26 -4.78 105.19 102.47 2wfb n GLY 13 Ca 0.15 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 2wfb n GLY 13 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wfb s PRO 14 N -1.95 3.10 0.00 1.61 0.02 -1.26 -4.88 135.00 131.63 2wfb s PRO 14 Ca 0.00 1.27 0.00 0.00 0.02 0.00 0.00 61.00 62.29 2wfb s PRO 14 Cb 0.00 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.52 2wfb s PRO 14 CO 0.00 -1.00 0.00 0.41 -0.33 0.00 0.00 177.00 176.08 2wfb n GLY 15 N -0.84 3.30 0.24 0.52 0.00 -1.26 -4.74 105.19 102.42 2wfb n GLY 15 Ca 0.09 -1.55 0.15 0.00 0.00 0.00 0.00 46.02 44.71 2wfb n GLY 15 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wfb h LEU 16 N 0.00 0.00 -2.19 0.99 3.38 -1.98 -3.24 115.31 112.26 2wfb h LEU 16 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wfb h LEU 16 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wfb h LEU 16 CO 0.00 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.00 2wfb n ASP 17 N -3.01 2.96 -4.80 -0.43 8.00 -1.26 -0.43 116.55 117.58 2wfb n ASP 17 Ca 0.02 -1.86 -0.30 0.00 0.71 0.00 0.00 54.79 53.36 2wfb n ASP 17 Cb 0.38 -0.17 0.10 0.00 -0.02 0.00 0.00 41.12 41.41 2wfb n ASP 17 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2wfb s GLY 18 N -1.29 1.62 0.48 0.44 0.00 -1.22 -4.73 107.32 102.62 2wfb s GLY 18 Ca 0.29 -0.21 -0.17 0.00 0.00 0.00 0.00 44.72 44.62 2wfb s GLY 18 CO 0.24 0.23 0.96 1.08 0.00 0.00 0.00 173.10 175.60 2wfb s LEU 19 N -5.82 3.73 0.26 0.66 1.43 -1.26 -0.82 118.68 116.86 2wfb s LEU 19 Ca 0.61 1.56 -0.30 0.00 -1.03 0.00 0.00 54.13 54.98 2wfb s LEU 19 Cb -0.15 -4.47 -0.10 0.00 0.03 0.00 0.00 46.19 41.50 2wfb s LEU 19 CO 0.54 -0.51 1.37 0.68 0.23 0.00 0.00 176.35 178.67 2wfb s VAL 20 N -2.48 2.81 -0.03 -1.59 -7.23 0.02 -3.82 120.40 108.08 2wfb s VAL 20 Ca 0.59 0.71 -0.30 0.00 -1.81 0.00 0.00 61.98 61.17 2wfb s VAL 20 Cb -0.10 -3.45 -0.05 0.00 0.56 0.00 0.00 36.38 33.34 2wfb s VAL 20 CO 0.26 0.13 1.35 -0.62 -0.31 0.00 0.00 175.10 175.91 2wfb s ASP 21 N 0.12 6.90 0.35 4.85 -1.08 -0.38 -4.55 116.67 122.87 2wfb s ASP 21 Ca 0.56 2.01 0.24 0.00 -0.52 0.00 0.00 52.55 54.84 2wfb s ASP 21 Cb -0.40 -2.56 1.26 0.00 -1.46 0.00 0.00 42.92 39.77 2wfb s ASP 21 CO 0.45 -0.69 1.74 -0.65 0.52 0.00 0.00 175.17 176.54 2wfb h PRO 22 N 7.81 0.00 -6.16 4.34 0.11 -1.93 -3.33 132.00 132.84 2wfb h PRO 22 Ca -0.36 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.17 2wfb h PRO 22 Cb 1.17 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.22 2wfb h PRO 22 CO 0.90 0.00 -0.55 1.03 -0.21 0.00 0.00 178.00 179.17 2wfb s ARG 23 N -3.57 3.02 -0.00 1.05 0.52 -1.26 -0.48 118.95 118.23 2wfb s ARG 23 Ca -0.01 -0.78 -0.00 0.00 -0.52 0.00 0.00 55.73 54.41 2wfb s ARG 23 Cb 0.07 -2.73 -0.00 0.00 0.52 0.00 0.00 34.95 32.82 2wfb s ARG 23 CO 0.26 0.50 -0.00 0.34 0.02 0.00 0.00 175.30 176.42 2wfb n PHE 24 N -0.28 0.00 0.07 -0.53 7.35 -1.20 -4.05 117.46 118.83 2wfb n PHE 24 Ca -0.08 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.68 2wfb n PHE 24 Cb 0.54 -0.00 0.52 0.00 0.35 0.00 0.00 39.48 40.89 2wfb n PHE 24 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 2wfb h GLY 25 N -0.01 0.36 -1.44 7.13 0.00 -1.87 -2.32 103.07 104.92 2wfb h GLY 25 Ca 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 2wfb h GLY 25 CO 0.00 0.12 -0.00 0.54 0.00 0.00 0.00 176.54 177.19 2wfb n ARG 26 N -4.49 2.63 -1.67 4.80 1.74 -1.26 -4.46 116.66 113.94 2wfb n ARG 26 Ca 0.02 -2.84 -0.37 0.00 -0.77 0.00 0.00 57.85 53.89 2wfb n ARG 26 Cb 0.14 -1.80 0.06 0.00 -1.02 0.00 0.00 32.46 29.84 2wfb n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wfb n ALA 27 N -0.68 0.63 -0.16 7.54 0.00 -0.87 -4.89 120.51 122.08 2wfb n ALA 27 Ca 0.22 0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.71 2wfb n ALA 27 Cb 0.88 -2.21 0.34 0.00 0.00 0.00 0.00 19.45 18.46 2wfb n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wfb h ALA 28 N 0.55 1.65 0.00 0.00 0.00 -1.83 -3.42 119.26 116.20 2wfb h ALA 28 Ca -0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2wfb h ALA 28 Cb 1.35 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2wfb h ALA 28 CO 0.52 0.27 0.00 0.41 0.00 0.00 0.00 179.25 180.45 2wfb n GLY 29 N -1.45 -1.11 2.85 0.00 0.00 -0.95 -0.91 105.19 103.62 2wfb n GLY 29 Ca 0.09 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 45.13 2wfb n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wfb s PHE 30 N -3.00 0.54 -0.29 1.61 0.08 -0.05 -0.32 117.98 116.55 2wfb s PHE 30 Ca 0.00 -0.10 -0.21 0.00 0.12 0.00 0.00 56.93 56.73 2wfb s PHE 30 Cb 0.00 -0.55 -0.01 0.00 -0.57 0.00 0.00 43.02 41.89 2wfb s PHE 30 CO 0.00 -0.16 0.67 0.08 -0.10 0.00 0.00 175.22 175.71 2wfb s VAL 31 N 1.00 4.92 -0.24 -0.44 1.01 -0.28 -0.30 120.40 126.07 2wfb s VAL 31 Ca -0.10 1.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.84 2wfb s VAL 31 Cb -0.14 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2wfb s VAL 31 CO -0.01 -0.11 0.09 -0.69 0.00 0.00 0.00 175.10 174.38 2wfb s VAL 32 N 2.66 4.62 -0.00 2.92 1.01 -0.04 -0.94 120.40 130.62 2wfb s VAL 32 Ca 0.27 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.25 2wfb s VAL 32 Cb -0.15 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 2wfb s VAL 32 CO 0.11 0.35 -0.21 0.68 0.00 0.00 0.00 175.10 176.02 2wfb s VAL 33 N 1.35 1.68 -0.40 2.92 -7.23 0.50 -1.27 120.40 117.95 2wfb s VAL 33 Ca 0.06 -0.96 -0.23 0.00 -1.81 0.00 0.00 61.98 59.04 2wfb s VAL 33 Cb -0.15 -1.41 0.02 0.00 0.56 0.00 0.00 36.38 35.40 2wfb s VAL 33 CO 0.05 0.42 0.75 -0.62 -0.31 0.00 0.00 175.10 175.39 2wfb s ASP 34 N -0.63 6.46 0.46 4.85 -1.08 0.28 -0.45 116.67 126.56 2wfb s ASP 34 Ca 0.08 0.10 0.22 0.00 -0.52 0.00 0.00 52.55 52.44 2wfb s ASP 34 Cb -0.08 -2.38 1.22 0.00 -1.46 0.00 0.00 42.92 40.22 2wfb s ASP 34 CO -0.00 -0.78 1.86 0.00 0.52 0.00 0.00 175.17 176.76 2wfb h ALA 35 N 8.69 2.42 -1.84 3.66 0.00 -1.01 -3.14 119.26 128.04 2wfb h ALA 35 Ca -0.25 0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.39 2wfb h ALA 35 Cb 1.09 0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.60 2wfb h ALA 35 CO 0.92 -0.71 -0.61 0.00 0.00 0.00 0.00 179.25 178.85 2wfb s ALA 36 N -5.29 -0.83 0.00 0.00 0.00 -1.26 -4.48 121.76 109.90 2wfb s ALA 36 Ca -0.07 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.50 2wfb s ALA 36 Cb 0.23 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 21.28 2wfb s ALA 36 CO 0.78 -1.94 0.00 2.41 0.00 0.00 0.00 175.76 177.01 2wfb n THR 37 N 4.82 0.00 -3.32 0.00 -1.04 -1.19 -5.03 114.28 108.52 2wfb n THR 37 Ca 0.05 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.73 2wfb n THR 37 Cb 0.48 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.94 2wfb n THR 37 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 2wfb n MET 38 N 0.00 3.16 -2.41 -2.82 1.56 -1.23 -5.05 117.12 110.34 2wfb n MET 38 Ca 0.00 -4.61 -0.36 0.00 -0.27 0.00 0.00 57.70 52.46 2wfb n MET 38 Cb 0.00 -2.36 -0.02 0.00 2.15 0.00 0.00 33.22 32.99 2wfb n MET 38 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2wfb s ALA 39 N -2.44 2.96 0.03 -5.12 0.00 -1.25 -4.77 121.76 111.17 2wfb s ALA 39 Ca 0.35 0.79 0.02 0.00 0.00 0.00 0.00 51.96 53.12 2wfb s ALA 39 Cb 0.09 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 2wfb s ALA 39 CO 0.01 -0.46 -0.08 0.00 0.00 0.00 0.00 175.76 175.23 2wfb s ALA 40 N -1.69 0.63 0.15 0.00 0.00 -1.26 -0.55 121.76 119.03 2wfb s ALA 40 Ca 0.63 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 52.03 2wfb s ALA 40 Cb -0.24 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 2wfb s ALA 40 CO 0.29 0.06 -0.09 -1.83 0.00 0.00 0.00 175.76 174.19 2wfb s GLU 41 N -1.03 1.05 -0.21 0.00 -1.05 -0.40 -4.98 118.70 112.08 2wfb s GLU 41 Ca -0.04 -1.45 -0.06 0.00 -0.15 0.00 0.00 54.97 53.26 2wfb s GLU 41 Cb -0.07 -0.55 -0.03 0.00 -0.44 0.00 0.00 34.13 33.04 2wfb s GLU 41 CO 0.00 0.04 0.04 -0.47 0.95 0.00 0.00 175.26 175.82 2wfb s TYR 42 N -3.39 3.09 -0.32 4.83 5.04 -1.26 -0.86 117.35 124.48 2wfb s TYR 42 Ca 0.17 -0.34 -0.08 0.00 -2.44 0.00 0.00 57.07 54.38 2wfb s TYR 42 Cb 0.03 -2.13 0.02 0.00 0.35 0.00 0.00 41.96 40.22 2wfb s TYR 42 CO 0.00 -0.20 0.13 0.08 -1.34 0.00 0.00 175.55 174.22 2wfb s VAL 43 N 1.08 4.20 0.23 3.14 1.01 0.59 -4.97 120.40 125.68 2wfb s VAL 43 Ca 0.03 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 2wfb s VAL 43 Cb -0.14 -3.24 -0.09 0.00 0.00 0.00 0.00 36.38 32.90 2wfb s VAL 43 CO 0.02 -0.04 1.35 -0.62 0.00 0.00 0.00 175.10 175.81 2wfb s ASP 44 N 1.52 6.81 -0.19 3.32 2.15 -1.26 -0.87 116.67 128.14 2wfb s ASP 44 Ca 0.02 2.51 0.15 0.00 0.43 0.00 0.00 52.55 55.66 2wfb s ASP 44 Cb -0.18 -2.62 0.41 0.00 -0.30 0.00 0.00 42.92 40.24 2wfb s ASP 44 CO 0.04 -0.58 1.29 -3.20 -0.17 0.00 0.00 175.17 172.55 2wfb n ASN 45 N 2.37 2.57 -0.23 -0.34 5.15 -0.09 -4.79 115.26 119.90 2wfb n ASN 45 Ca 0.06 -3.39 0.10 0.00 -0.60 0.00 0.00 54.58 50.75 2wfb n ASN 45 Cb 0.42 -0.52 0.37 0.00 -0.53 0.00 0.00 39.78 39.52 2wfb n ASN 45 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2wfb h GLY 46 N 0.80 1.07 0.95 8.20 0.00 -1.84 -2.57 103.07 109.68 2wfb h GLY 46 Ca 0.04 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.09 2wfb h GLY 46 CO 0.12 0.15 0.27 0.00 0.00 0.00 0.00 176.54 177.09 2wfb h ALA 47 N 1.60 0.54 -0.99 3.60 0.00 -1.95 -2.80 119.26 119.27 2wfb h ALA 47 Ca 0.38 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.28 2wfb h ALA 47 Cb 0.52 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2wfb h ALA 47 CO -0.15 -0.04 0.64 0.77 0.00 0.00 0.00 179.25 180.47 2wfb h SER 48 N 0.55 1.15 0.09 0.00 0.02 -1.76 -2.97 113.55 110.62 2wfb h SER 48 Ca 0.16 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2wfb h SER 48 Cb -0.03 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.22 2wfb h SER 48 CO -0.06 0.85 -0.05 1.56 -1.14 0.00 0.00 176.83 177.99 2wfb h GLN 49 N 1.35 0.00 0.00 3.45 4.20 -1.46 -2.64 115.11 120.00 2wfb h GLN 49 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 2wfb h GLN 49 Cb -0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.65 2wfb h GLN 49 CO -0.07 0.05 0.00 0.25 -0.67 0.00 0.00 178.83 178.39 2wfb n THR 50 N -4.06 0.24 -2.90 -0.54 -2.24 -1.12 -4.90 114.28 98.76 2wfb n THR 50 Ca -0.03 -0.02 -0.36 0.00 -2.27 0.00 0.00 64.05 61.38 2wfb n THR 50 Cb 0.14 -0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 67.71 2wfb n THR 50 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2wfb s LEU 51 N -3.32 4.26 0.26 3.22 1.43 -1.00 -4.97 118.68 118.56 2wfb s LEU 51 Ca 0.12 1.66 0.14 0.00 -1.03 0.00 0.00 54.13 55.02 2wfb s LEU 51 Cb 0.16 -3.98 0.09 0.00 0.03 0.00 0.00 46.19 42.50 2wfb s LEU 51 CO 0.51 -0.09 1.45 0.28 0.23 0.00 0.00 176.35 178.72 2wfb h SER 52 N 2.99 0.00 -5.11 2.29 0.02 -1.90 -3.46 113.55 108.37 2wfb h SER 52 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2wfb h SER 52 Cb 1.19 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.66 2wfb h SER 52 CO 0.64 0.60 0.08 -1.38 -1.14 0.00 0.00 176.83 175.63 2wfb s HIS 53 N -3.00 0.08 -1.20 3.45 0.00 -1.26 -4.97 115.29 108.39 2wfb s HIS 53 Ca 0.03 -0.51 0.00 0.00 -3.00 0.00 0.00 55.06 51.58 2wfb s HIS 53 Cb 0.09 0.48 0.00 0.00 -4.00 0.00 0.00 32.58 29.15 2wfb s HIS 53 CO 0.75 -1.15 0.00 0.41 -1.00 0.00 0.00 174.74 173.75 2wfb n GLY 54 N -0.43 0.89 0.31 -1.38 0.00 -1.26 -4.91 105.19 98.40 2wfb n GLY 54 Ca -0.03 -0.44 -0.04 0.00 0.00 0.00 0.00 46.02 45.50 2wfb n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wfb h ALA 55 N 0.17 1.13 -0.01 4.61 0.00 -1.88 -1.63 119.26 121.64 2wfb h ALA 55 Ca -0.26 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.25 2wfb h ALA 55 Cb 0.91 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2wfb h ALA 55 CO 0.35 0.59 -0.82 0.78 0.00 0.00 0.00 179.25 180.16 2wfb h GLY 56 N 1.03 0.22 0.96 0.00 0.00 -1.91 0.30 103.07 103.67 2wfb h GLY 56 Ca 0.20 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 2wfb h GLY 56 CO -0.00 0.33 0.21 -2.22 0.00 0.00 0.00 176.54 174.86 2wfb h ILE 57 N 0.12 1.16 -0.73 2.60 2.04 -1.85 -1.24 117.51 119.61 2wfb h ILE 57 Ca -0.04 -0.42 -0.06 0.00 1.00 0.00 0.00 64.86 65.35 2wfb h ILE 57 Cb 1.42 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 2wfb h ILE 57 CO 0.12 0.17 0.22 -1.13 0.00 0.00 0.00 178.15 177.53 2wfb h ASN 58 N 0.51 1.07 -0.60 1.72 -0.73 -0.97 -2.22 115.58 114.36 2wfb h ASN 58 Ca 0.14 -0.21 -0.08 0.00 1.87 0.00 0.00 56.30 58.01 2wfb h ASN 58 Cb 0.07 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.36 2wfb h ASN 58 CO -0.02 1.00 0.05 0.00 -0.37 0.00 0.00 177.43 178.08 2wfb h ALA 59 N 1.11 0.80 -0.96 1.57 0.00 -0.90 -1.17 119.26 119.73 2wfb h ALA 59 Ca 0.24 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2wfb h ALA 59 Cb 0.31 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2wfb h ALA 59 CO -0.01 0.61 0.63 0.00 0.00 0.00 0.00 179.25 180.48 2wfb h ALA 60 N 1.00 1.24 -0.49 0.00 0.00 -1.04 -1.03 119.26 118.94 2wfb h ALA 60 Ca 0.18 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2wfb h ALA 60 Cb 0.50 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2wfb h ALA 60 CO 0.02 0.57 -0.13 1.96 0.00 0.00 0.00 179.25 181.67 2wfb h GLN 61 N 1.27 0.92 -0.34 0.00 4.20 -1.12 -0.44 115.11 119.60 2wfb h GLN 61 Ca 0.36 -0.34 0.03 0.00 0.06 0.00 0.00 58.65 58.77 2wfb h GLN 61 Cb -0.09 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 2wfb h GLN 61 CO -0.09 0.99 0.14 0.28 -0.67 0.00 0.00 178.83 179.48 2wfb h VAL 62 N 0.82 0.93 -0.69 -0.54 2.07 -0.67 -2.11 116.25 116.07 2wfb h VAL 62 Ca 0.13 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 2wfb h VAL 62 Cb 0.67 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2wfb h VAL 62 CO 0.05 0.05 0.20 -0.07 0.02 0.00 0.00 177.57 177.82 2wfb h LEU 63 N 0.30 0.99 -0.85 2.57 3.38 -1.02 -2.31 115.31 118.38 2wfb h LEU 63 Ca 0.15 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2wfb h LEU 63 Cb 0.10 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2wfb h LEU 63 CO -0.13 0.93 0.27 0.00 0.09 0.00 0.00 178.44 179.60 2wfb h ALA 64 N 1.20 1.08 -0.09 1.53 0.00 -0.92 -2.40 119.26 119.66 2wfb h ALA 64 Ca 0.22 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2wfb h ALA 64 Cb 0.30 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2wfb h ALA 64 CO -0.01 0.64 -0.11 0.87 0.00 0.00 0.00 179.25 180.65 2wfb h LYS 65 N 1.09 0.13 -0.00 0.00 1.57 -1.12 -2.03 116.57 116.21 2wfb h LYS 65 Ca 0.25 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2wfb h LYS 65 Cb 0.24 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2wfb h LYS 65 CO -0.02 0.25 -0.06 -1.13 -0.57 0.00 0.00 179.45 177.92 2wfb n SER 66 N -4.34 0.20 -0.63 0.86 3.41 -0.89 -4.94 113.62 107.30 2wfb n SER 66 Ca -0.01 -0.33 -0.07 0.00 -0.26 0.00 0.00 58.87 58.19 2wfb n SER 66 Cb 0.22 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 63.97 2wfb n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wfb n GLY 67 N 1.28 0.68 3.77 5.00 0.00 -0.76 -5.01 105.19 110.15 2wfb n GLY 67 Ca 0.14 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 2wfb n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wfb s ALA 68 N -2.29 3.27 -0.25 4.61 0.00 -1.09 -0.94 121.76 125.07 2wfb s ALA 68 Ca 0.00 1.14 0.09 0.00 0.00 0.00 0.00 51.96 53.19 2wfb s ALA 68 Cb 0.00 -3.45 -0.12 0.00 0.00 0.00 0.00 23.12 19.56 2wfb s ALA 68 CO 0.00 -0.68 0.30 0.41 0.00 0.00 0.00 175.76 175.80 2wfb n GLY 69 N 0.71 -0.09 2.99 0.00 0.00 0.11 -4.27 105.19 104.64 2wfb n GLY 69 Ca 0.03 -0.24 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 2wfb n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wfb s VAL 70 N -2.18 0.55 -0.11 1.61 1.01 -1.15 -0.73 120.40 119.40 2wfb s VAL 70 Ca 0.01 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2wfb s VAL 70 Cb 0.06 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.99 2wfb s VAL 70 CO 0.37 0.12 -0.16 -0.22 0.00 0.00 0.00 175.10 175.21 2wfb s LEU 71 N -0.25 1.77 -0.15 3.92 2.96 0.11 -0.55 118.68 126.49 2wfb s LEU 71 Ca 0.02 -0.44 -0.03 0.00 -0.22 0.00 0.00 54.13 53.46 2wfb s LEU 71 Cb -0.03 -1.12 -0.03 0.00 0.50 0.00 0.00 46.19 45.51 2wfb s LEU 71 CO -0.00 0.03 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.25 2wfb s LEU 72 N 0.92 3.19 0.00 -0.68 1.02 0.75 -0.69 118.68 123.19 2wfb s LEU 72 Ca -0.08 -0.14 -0.06 0.00 0.02 0.00 0.00 54.13 53.87 2wfb s LEU 72 Cb -0.15 -1.76 0.02 0.00 0.02 0.00 0.00 46.19 44.32 2wfb s LEU 72 CO -0.01 0.19 0.33 1.07 0.02 0.00 0.00 176.35 177.95 2wfb n THR 73 N 3.42 0.00 0.00 5.49 5.66 -0.84 -1.57 114.28 126.44 2wfb n THR 73 Ca -0.17 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.36 2wfb n THR 73 Cb 0.53 0.43 0.00 0.00 -1.55 0.00 0.00 70.33 69.74 2wfb n THR 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wfb n GLY 74 N -0.23 -0.12 3.29 1.09 0.00 -1.20 -1.51 105.19 106.50 2wfb n GLY 74 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 2wfb n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wfb s TYR 75 N -0.58 2.02 -0.07 1.61 2.02 0.37 -1.66 117.35 121.07 2wfb s TYR 75 Ca 0.00 -0.39 -0.04 0.00 -0.37 0.00 0.00 57.07 56.27 2wfb s TYR 75 Cb 0.00 -1.22 0.03 0.00 -0.40 0.00 0.00 41.96 40.38 2wfb s TYR 75 CO 0.00 0.10 0.15 0.54 -1.57 0.00 0.00 175.55 174.77 2wfb s VAL 76 N -0.78 -0.04 0.87 0.71 0.11 -1.26 -3.24 120.40 116.77 2wfb s VAL 76 Ca 0.09 0.13 -0.10 0.00 -2.93 0.00 0.00 61.98 59.17 2wfb s VAL 76 Cb -0.09 -0.25 0.17 0.00 -1.53 0.00 0.00 36.38 34.68 2wfb s VAL 76 CO 0.02 0.05 1.19 -0.83 -3.33 0.00 0.00 175.10 172.20 2wfb s GLY 77 N 0.90 1.77 0.13 6.54 0.00 -1.26 -2.22 107.32 113.18 2wfb s GLY 77 Ca -0.07 -1.41 -0.17 0.00 0.00 0.00 0.00 44.72 43.07 2wfb s GLY 77 CO -0.05 -0.72 1.71 -2.55 0.00 0.00 0.00 173.10 171.49 2wfb h PRO 78 N -1.20 0.48 -0.19 2.90 0.11 -1.95 -0.92 132.00 131.23 2wfb h PRO 78 Ca -0.41 -0.07 -0.19 0.00 0.11 0.00 0.00 66.00 65.44 2wfb h PRO 78 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2wfb h PRO 78 CO 0.39 0.43 -0.65 0.87 -0.21 0.00 0.00 178.00 178.83 2wfb h LYS 79 N 0.41 0.72 -0.39 1.05 1.57 -1.97 -1.80 116.57 116.15 2wfb h LYS 79 Ca 0.12 -0.52 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 2wfb h LYS 79 Cb 0.10 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2wfb h LYS 79 CO -0.02 1.14 0.19 0.00 -0.57 0.00 0.00 179.45 180.19 2wfb h ALA 80 N 0.74 0.50 -0.58 3.86 0.00 -1.83 -1.29 119.26 120.66 2wfb h ALA 80 Ca -0.02 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2wfb h ALA 80 Cb 1.25 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 2wfb h ALA 80 CO 0.13 0.05 0.34 0.35 0.00 0.00 0.00 179.25 180.12 2wfb h PHE 81 N 0.49 0.63 -0.62 0.00 3.57 -1.05 -0.76 116.94 119.21 2wfb h PHE 81 Ca 0.13 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 2wfb h PHE 81 Cb 0.10 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 2wfb h PHE 81 CO -0.02 0.34 0.31 0.37 -2.23 0.00 0.00 178.31 177.09 2wfb h GLN 82 N 0.66 0.88 -0.70 1.11 4.15 -1.14 -1.43 115.11 118.64 2wfb h GLN 82 Ca 0.24 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 2wfb h GLN 82 Cb 0.06 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 2wfb h GLN 82 CO -0.12 0.69 0.39 0.00 -1.93 0.00 0.00 178.83 177.86 2wfb h ALA 83 N 1.14 0.89 -0.38 3.38 0.00 -0.90 0.11 119.26 123.51 2wfb h ALA 83 Ca 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2wfb h ALA 83 Cb 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2wfb h ALA 83 CO -0.03 0.40 0.18 -0.07 0.00 0.00 0.00 179.25 179.73 2wfb h LEU 84 N 0.96 0.49 -0.14 0.00 3.38 -0.91 -0.88 115.31 118.21 2wfb h LEU 84 Ca 0.25 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.11 2wfb h LEU 84 Cb 0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2wfb h LEU 84 CO -0.04 0.48 0.03 1.56 0.09 0.00 0.00 178.44 180.56 2wfb h GLN 85 N 0.47 0.09 -0.80 1.13 4.20 -1.12 0.69 115.11 119.77 2wfb h GLN 85 Ca 0.13 -0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.97 2wfb h GLN 85 Cb 0.12 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 27.79 2wfb h GLN 85 CO -0.02 0.06 0.37 0.00 -0.67 0.00 0.00 178.83 178.57 2wfb h ALA 86 N 1.09 1.16 0.00 3.87 0.00 -0.62 0.14 119.26 124.91 2wfb h ALA 86 Ca 0.06 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2wfb h ALA 86 Cb 0.05 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2wfb h ALA 86 CO -0.08 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.04 2wfb n ALA 87 N -2.46 2.16 -1.25 0.00 0.00 -0.35 -4.88 120.51 113.73 2wfb n ALA 87 Ca 0.15 -0.11 -0.00 0.00 0.00 0.00 0.00 53.44 53.48 2wfb n ALA 87 Cb 0.41 -1.35 -0.00 0.00 0.00 0.00 0.00 19.45 18.51 2wfb n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wfb n GLY 88 N 0.48 0.39 3.69 0.00 0.00 0.50 -4.63 105.19 105.61 2wfb n GLY 88 Ca 0.12 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 2wfb n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wfb s ILE 89 N -2.01 5.34 0.23 -0.61 1.01 0.19 -4.87 121.20 120.48 2wfb s ILE 89 Ca 0.00 0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.68 2wfb s ILE 89 Cb 0.00 -3.55 -0.09 0.00 0.01 0.00 0.00 42.46 38.83 2wfb s ILE 89 CO 0.00 0.36 0.94 -0.54 0.00 0.00 0.00 174.94 175.69 2wfb s LYS 90 N 0.87 4.84 -0.13 2.79 3.01 0.09 -4.18 119.74 127.04 2wfb s LYS 90 Ca 0.11 1.48 0.01 0.00 -1.01 0.00 0.00 55.97 56.55 2wfb s LYS 90 Cb -0.13 -3.29 -0.01 0.00 -1.01 0.00 0.00 37.83 33.39 2wfb s LYS 90 CO 0.04 0.50 -0.15 0.08 0.51 0.00 0.00 175.35 176.33 2wfb s VAL 91 N -1.11 2.82 -0.12 3.17 1.01 -1.26 0.06 120.40 124.97 2wfb s VAL 91 Ca 0.41 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 2wfb s VAL 91 Cb -0.26 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 2wfb s VAL 91 CO 0.32 0.53 -0.04 -0.83 0.00 0.00 0.00 175.10 175.07 2wfb s GLY 92 N 0.44 1.72 0.43 4.51 0.00 0.13 0.08 107.32 114.63 2wfb s GLY 92 Ca -0.11 -0.84 0.06 0.00 0.00 0.00 0.00 44.72 43.83 2wfb s GLY 92 CO 0.05 -0.29 0.12 1.20 0.00 0.00 0.00 173.10 174.18 2wfb s GLN 93 N -0.10 2.14 -1.11 2.90 -0.21 -1.26 -1.98 119.66 120.04 2wfb s GLN 93 Ca 0.02 -2.02 -0.01 0.00 0.02 0.00 0.00 55.36 53.38 2wfb s GLN 93 Cb -0.13 -1.82 0.00 0.00 1.00 0.00 0.00 33.01 32.06 2wfb s GLN 93 CO 0.03 -0.17 0.10 -0.25 -2.12 0.00 0.00 175.29 172.88 2wfb n ASP 94 N -1.20 -4.24 -1.28 5.90 8.00 -0.66 -4.86 116.55 118.21 2wfb n ASP 94 Ca -0.05 -0.06 0.11 0.00 0.71 0.00 0.00 54.79 55.51 2wfb n ASP 94 Cb 0.66 -3.34 0.31 0.00 -0.02 0.00 0.00 41.12 38.72 2wfb n ASP 94 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wfb n LEU 95 N -2.11 3.70 -4.77 0.64 4.77 -0.57 -4.97 117.00 113.70 2wfb n LEU 95 Ca -0.14 -1.85 -0.39 0.00 -0.03 0.00 0.00 56.01 53.60 2wfb n LEU 95 Cb 0.61 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2wfb n LEU 95 CO 0.21 0.92 0.96 -1.83 -1.33 0.00 0.00 177.39 176.33 2wfb s GLU 96 N -1.08 3.82 0.00 3.23 1.03 -1.26 -2.78 118.70 121.66 2wfb s GLU 96 Ca 0.46 2.16 0.00 0.00 0.03 0.00 0.00 54.97 57.62 2wfb s GLU 96 Cb 0.24 -2.66 0.00 0.00 -0.80 0.00 0.00 34.13 30.92 2wfb s GLU 96 CO 0.31 -0.62 0.00 0.41 -1.33 0.00 0.00 175.26 174.04 2wfb n GLY 97 N 0.64 0.93 3.91 -3.83 0.00 -1.26 -5.06 105.19 100.52 2wfb n GLY 97 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2wfb n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wfb s LEU 98 N 0.00 4.26 0.77 0.99 1.43 -1.12 -4.98 118.68 120.02 2wfb s LEU 98 Ca 0.00 0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 53.47 2wfb s LEU 98 Cb 0.00 -3.22 0.05 0.00 0.03 0.00 0.00 46.19 43.05 2wfb s LEU 98 CO 0.00 0.03 1.09 0.42 0.23 0.00 0.00 176.35 178.12 2wfb s THR 99 N -1.72 3.35 0.17 5.49 -4.23 -1.26 -0.80 115.64 116.64 2wfb s THR 99 Ca 0.39 0.44 -0.15 0.00 -1.18 0.00 0.00 61.69 61.20 2wfb s THR 99 Cb -0.12 -3.19 0.05 0.00 1.34 0.00 0.00 72.50 70.58 2wfb s THR 99 CO 0.27 -0.57 1.82 0.58 -0.54 0.00 0.00 174.62 176.17 2wfb h VAL 100 N -0.97 1.09 -0.72 2.29 2.07 -0.91 -0.70 116.25 118.40 2wfb h VAL 100 Ca -0.46 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 66.88 2wfb h VAL 100 Cb 1.25 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 2wfb h VAL 100 CO 0.59 0.11 0.45 -0.09 0.02 0.00 0.00 177.57 178.65 2wfb h ARG 101 N 0.62 0.85 -0.34 1.57 2.43 -1.02 -2.08 114.38 116.40 2wfb h ARG 101 Ca 0.19 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.19 2wfb h ARG 101 Cb -0.03 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 2wfb h ARG 101 CO -0.06 0.56 -0.25 1.96 -1.51 0.00 0.00 179.97 180.68 2wfb h GLN 102 N 0.88 0.68 -0.51 0.20 4.20 -1.72 -1.54 115.11 117.29 2wfb h GLN 102 Ca 0.29 -0.28 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 2wfb h GLN 102 Cb 0.04 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 2wfb h GLN 102 CO -0.12 0.86 -0.06 0.00 -0.67 0.00 0.00 178.83 178.85 2wfb h ALA 103 N 1.13 0.70 -0.28 3.87 0.00 -0.66 -0.29 119.26 123.73 2wfb h ALA 103 Ca 0.08 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2wfb h ALA 103 Cb 0.73 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2wfb h ALA 103 CO 0.06 0.56 0.03 0.28 0.00 0.00 0.00 179.25 180.18 2wfb h VAL 104 N 0.81 1.24 -0.41 0.00 2.07 -1.31 -0.42 116.25 118.23 2wfb h VAL 104 Ca 0.14 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 66.86 2wfb h VAL 104 Cb 0.60 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 2wfb h VAL 104 CO 0.04 0.27 0.20 -0.61 0.02 0.00 0.00 177.57 177.49 2wfb h GLN 105 N 0.28 0.40 -0.80 1.57 5.75 -1.18 0.60 115.11 121.74 2wfb h GLN 105 Ca 0.08 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.53 2wfb h GLN 105 Cb 0.36 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.78 2wfb h GLN 105 CO 0.01 0.26 0.40 0.00 -2.65 0.00 0.00 178.83 176.85 2wfb h ARG 106 N 0.41 1.14 0.23 1.69 3.08 -0.93 -1.21 114.38 118.79 2wfb h ARG 106 Ca 0.17 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2wfb h ARG 106 Cb 0.08 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2wfb h ARG 106 CO -0.12 0.87 -0.16 0.35 -1.07 0.00 0.00 179.97 179.84 2wfb h PHE 107 N 1.13 -0.41 -0.29 3.04 3.57 -0.69 -1.03 116.94 122.26 2wfb h PHE 107 Ca 0.28 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.79 2wfb h PHE 107 Cb 0.10 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 2wfb h PHE 107 CO 0.01 -0.24 0.20 -0.07 -2.23 0.00 0.00 178.31 175.97 2wfb h LEU 108 N -0.38 0.27 0.00 0.59 3.38 -0.73 -1.82 115.31 116.62 2wfb h LEU 108 Ca -0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2wfb h LEU 108 Cb 0.33 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2wfb h LEU 108 CO 0.01 0.19 0.00 0.47 0.09 0.00 0.00 178.44 179.20 2wfb n ASP 109 N -4.49 0.00 -0.12 -0.43 8.00 -0.47 -4.90 116.55 114.14 2wfb n ASP 109 Ca 0.02 -1.24 -0.02 0.00 0.71 0.00 0.00 54.79 54.26 2wfb n ASP 109 Cb 0.13 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.22 2wfb n ASP 109 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wfb n GLY 110 N 0.73 0.52 1.12 0.44 0.00 -0.68 -4.93 105.19 102.38 2wfb n GLY 110 Ca 0.15 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.63 2wfb n GLY 110 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wfb n GLN 111 N -2.80 2.44 -4.01 1.61 1.13 -0.40 -4.78 117.38 110.56 2wfb n GLN 111 Ca -0.02 -2.19 -0.32 0.00 -1.94 0.00 0.00 57.00 52.53 2wfb n GLN 111 Cb 0.07 -1.50 -0.15 0.00 0.11 0.00 0.00 30.24 28.77 2wfb n GLN 111 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2wfb s VAL 112 N -1.41 2.34 0.29 5.09 1.01 -1.25 -4.91 120.40 121.57 2wfb s VAL 112 Ca 0.40 -2.16 -0.30 0.00 0.00 0.00 0.00 61.98 59.93 2wfb s VAL 112 Cb 0.22 -2.64 -0.11 0.00 0.00 0.00 0.00 36.38 33.85 2wfb s VAL 112 CO 0.31 -0.47 1.56 -2.84 0.00 0.00 0.00 175.10 173.65 2wfb s PRO 113 N 0.97 4.15 0.15 2.72 0.02 -1.26 -4.96 135.00 136.79 2wfb s PRO 113 Ca 0.06 2.52 -0.30 0.00 0.02 0.00 0.00 61.00 63.30 2wfb s PRO 113 Cb -0.19 -3.04 -0.08 0.00 0.02 0.00 0.00 34.50 31.21 2wfb s PRO 113 CO -0.07 -0.58 1.30 0.00 -0.33 0.00 0.00 177.00 177.32 2wfb s MET 114 N -0.61 4.39 0.39 5.54 0.23 -1.26 -4.46 119.30 123.51 2wfb s MET 114 Ca 0.62 2.00 -0.25 0.00 -1.03 0.00 0.00 55.69 57.03 2wfb s MET 114 Cb -0.47 -3.24 -0.09 0.00 -1.53 0.00 0.00 34.83 29.51 2wfb s MET 114 CO 0.48 -0.29 1.05 0.00 -2.03 0.00 0.00 175.02 174.24 2wfb s ALA 115 N 0.50 3.12 -0.11 3.16 0.00 0.11 -4.96 121.76 123.58 2wfb s ALA 115 Ca 0.59 0.72 0.22 0.00 0.00 0.00 0.00 51.96 53.49 2wfb s ALA 115 Cb -0.35 -3.28 -0.20 0.00 0.00 0.00 0.00 23.12 19.29 2wfb s ALA 115 CO 0.34 -0.20 0.71 0.00 0.00 0.00 0.00 175.76 176.61 2wfb n ALA 116 N 0.06 2.68 -3.75 0.00 0.00 -1.26 -4.71 120.51 113.52 2wfb n ALA 116 Ca 0.04 -0.41 -0.09 0.00 0.00 0.00 0.00 53.44 52.99 2wfb n ALA 116 Cb 0.49 -0.89 0.01 0.00 0.00 0.00 0.00 19.45 19.05 2wfb n ALA 116 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wfb s GLY 117 N -4.46 0.30 0.71 0.00 0.00 -1.26 -5.15 107.32 97.45 2wfb s GLY 117 Ca -0.05 -0.67 -0.15 0.00 0.00 0.00 0.00 44.72 43.85 2wfb s GLY 117 CO 0.86 -0.29 1.18 2.56 0.00 0.00 0.00 173.10 177.41 2wfb s PRO 118 N -2.87 2.31 -0.17 2.90 0.04 -1.26 -4.96 135.00 130.98 2wfb s PRO 118 Ca 0.15 1.67 0.16 0.00 0.04 0.00 0.00 61.00 63.03 2wfb s PRO 118 Cb -0.05 -1.86 0.41 0.00 0.04 0.00 0.00 34.50 33.04 2wfb s PRO 118 CO 0.11 -1.69 1.29 0.27 0.04 0.00 0.00 177.00 177.01 2wfb n ASN 119 N -2.63 2.84 0.00 6.66 6.94 -0.94 -5.00 115.26 123.13 2wfb n ASN 119 Ca 0.13 -3.21 0.00 0.00 -0.02 0.00 0.00 54.58 51.47 2wfb n ASN 119 Cb 0.51 -0.50 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2wfb n ASN 119 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40