#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdn s LEU 2 N 0.00 -0.12 0.00 -0.89 2.96 -1.26 -5.03 118.68 114.34 2wdn s LEU 2 Ca 0.00 0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.12 2wdn s LEU 2 Cb 0.00 1.21 0.00 0.00 0.50 0.00 0.00 46.19 47.90 2wdn s LEU 2 CO 0.00 -0.04 0.00 1.15 -1.32 0.00 0.00 176.35 176.14 2wdn n MET 3 N 2.42 0.00 -1.74 1.98 0.00 -1.26 -4.81 117.12 113.70 2wdn n MET 3 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 57.70 57.19 2wdn n MET 3 Cb 0.57 0.00 0.07 0.00 0.00 0.00 0.00 33.22 33.85 2wdn n MET 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2wdn s PRO 4 N -2.00 2.55 0.26 3.17 0.04 -1.26 -4.89 135.00 132.88 2wdn s PRO 4 Ca 0.00 2.06 0.23 0.00 0.04 0.00 0.00 61.00 63.34 2wdn s PRO 4 Cb 0.00 -1.85 0.29 0.00 0.04 0.00 0.00 34.50 32.98 2wdn s PRO 4 CO 0.00 -1.60 1.38 0.00 0.04 0.00 0.00 177.00 176.82 2wdn h ARG 5 N 0.54 0.00 -3.24 4.56 3.08 -2.01 -3.45 114.38 113.86 2wdn h ARG 5 Ca -0.51 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.34 2wdn h ARG 5 Cb 1.34 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 31.11 2wdn h ARG 5 CO 0.53 0.00 -0.53 1.03 -1.07 0.00 0.00 179.97 179.94 2wdn s ARG 6 N -3.24 0.18 -0.04 0.04 0.52 -1.26 -5.14 118.95 110.01 2wdn s ARG 6 Ca 0.05 0.33 0.00 0.00 -0.52 0.00 0.00 55.73 55.58 2wdn s ARG 6 Cb 0.09 -0.00 0.03 0.00 0.52 0.00 0.00 34.95 35.59 2wdn s ARG 6 CO 0.71 -0.08 -0.00 -1.64 0.02 0.00 0.00 175.30 174.31 2wdn s MET 7 N 0.55 0.41 0.28 3.54 -1.94 -1.26 -5.02 119.30 115.86 2wdn s MET 7 Ca -0.04 0.07 0.01 0.00 -1.71 0.00 0.00 55.69 54.02 2wdn s MET 7 Cb -0.05 -0.62 0.56 0.00 2.01 0.00 0.00 34.83 36.73 2wdn s MET 7 CO -0.03 -0.16 1.81 0.87 -0.01 0.00 0.00 175.02 177.50 2wdn h LYS 8 N 7.49 0.86 -5.98 2.03 1.57 -2.03 -3.41 116.57 117.11 2wdn h LYS 8 Ca -0.36 -0.05 -0.60 0.00 -1.87 0.00 0.00 60.65 57.77 2wdn h LYS 8 Cb 1.13 -0.20 -0.29 0.00 0.08 0.00 0.00 32.23 32.95 2wdn h LYS 8 CO 0.42 0.57 -0.85 0.71 -0.57 0.00 0.00 179.45 179.73 2wdn s TYR 9 N -5.95 1.82 -0.03 -1.35 4.12 -1.26 -5.07 117.35 109.62 2wdn s TYR 9 Ca -0.12 -0.34 -0.22 0.00 0.02 0.00 0.00 57.07 56.41 2wdn s TYR 9 Cb 0.22 -1.17 -0.15 0.00 -1.52 0.00 0.00 41.96 39.34 2wdn s TYR 9 CO 0.80 -0.03 0.97 -0.09 0.02 0.00 0.00 175.55 177.23 2wdn h ARG 10 N 5.61 -0.31 -6.47 -0.62 2.43 -2.04 -3.45 114.38 109.53 2wdn h ARG 10 Ca -0.39 0.02 -0.68 0.00 -0.81 0.00 0.00 59.98 58.12 2wdn h ARG 10 Cb 1.14 0.07 -0.19 0.00 -0.42 0.00 0.00 29.97 30.57 2wdn h ARG 10 CO 0.48 0.06 -0.76 0.15 -1.51 0.00 0.00 179.97 178.39 2wdn s LYS 11 N -3.84 2.26 0.05 0.20 1.02 -1.26 -4.86 119.74 113.31 2wdn s LYS 11 Ca -0.13 -0.89 -0.00 0.00 0.02 0.00 0.00 55.97 54.97 2wdn s LYS 11 Cb 0.01 -2.32 -0.03 0.00 -0.52 0.00 0.00 37.83 34.96 2wdn s LYS 11 CO 0.47 0.56 -0.03 1.14 -0.92 0.00 0.00 175.35 176.57 2wdn s GLN 12 N -1.55 0.55 1.05 1.68 -2.07 -1.26 -5.12 119.66 112.95 2wdn s GLN 12 Ca 0.17 -1.06 -0.16 0.00 -1.82 0.00 0.00 55.36 52.49 2wdn s GLN 12 Cb -0.11 0.13 0.08 0.00 -1.09 0.00 0.00 33.01 32.02 2wdn s GLN 12 CO 0.07 -0.08 0.16 1.04 -1.32 0.00 0.00 175.29 175.16 2wdn n GLN 13 N 0.53 -1.08 -0.09 9.60 6.02 -1.26 -4.94 117.38 126.16 2wdn n GLN 13 Ca -0.17 -0.29 -0.19 0.00 -0.01 0.00 0.00 57.00 56.35 2wdn n GLN 13 Cb 0.59 -1.76 -0.12 0.00 1.02 0.00 0.00 30.24 29.97 2wdn n GLN 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wdn h ARG 14 N -1.86 0.01 -3.33 -1.09 3.08 -2.01 -3.50 114.38 105.67 2wdn h ARG 14 Ca -0.50 -0.02 0.26 0.00 0.07 0.00 0.00 59.98 59.80 2wdn h ARG 14 Cb 1.33 0.01 -0.15 0.00 0.08 0.00 0.00 29.97 31.24 2wdn h ARG 14 CO 0.37 1.01 -1.15 0.41 -1.07 0.00 0.00 179.97 179.53 2wdn n GLY 15 N 1.52 -3.48 3.81 0.04 0.00 -1.26 -4.99 105.19 100.83 2wdn n GLY 15 Ca -0.22 -1.03 -0.19 0.00 0.00 0.00 0.00 46.02 44.57 2wdn n GLY 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wdn n ARG 16 N -3.88 0.61 -4.59 1.61 0.63 -1.26 -5.12 116.66 104.66 2wdn n ARG 16 Ca -0.07 -3.04 -0.28 0.00 -0.92 0.00 0.00 57.85 53.53 2wdn n ARG 16 Cb 0.61 -0.24 -0.17 0.00 0.45 0.00 0.00 32.46 33.11 2wdn n ARG 16 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2wdn s LEU 17 N 0.00 1.76 0.33 6.15 1.43 -1.26 -5.14 118.68 121.96 2wdn s LEU 17 Ca 0.59 -0.42 0.08 0.00 -1.03 0.00 0.00 54.13 53.36 2wdn s LEU 17 Cb -0.05 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 2wdn s LEU 17 CO 0.38 0.04 0.11 -0.54 0.23 0.00 0.00 176.35 176.56 2wdn s LYS 18 N 0.83 2.32 0.00 1.70 -0.14 -1.26 -5.07 119.74 118.13 2wdn s LYS 18 Ca -0.10 -1.56 0.00 0.00 -1.36 0.00 0.00 55.97 52.95 2wdn s LYS 18 Cb -0.15 -2.14 0.00 0.00 -1.68 0.00 0.00 37.83 33.86 2wdn s LYS 18 CO 0.01 0.14 0.00 0.41 -0.76 0.00 0.00 175.35 175.15 2wdn n GLY 19 N -1.09 -3.59 5.62 -3.33 0.00 -1.26 -4.63 105.19 96.90 2wdn n GLY 19 Ca -0.04 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2wdn n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdn n ALA 20 N -3.00 0.00 0.00 4.61 0.00 -1.23 -4.79 120.51 116.10 2wdn n ALA 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdn n ALA 20 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wdn n ALA 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wdn n THR 21 N 0.00 0.00 -0.20 0.00 -1.04 -1.26 -4.04 114.28 107.74 2wdn n THR 21 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2wdn n THR 21 Cb 0.00 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.54 2wdn n THR 21 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2wdn n LYS 22 N 0.74 -0.11 -3.31 -2.82 5.02 -1.26 -4.68 118.16 111.74 2wdn n LYS 22 Ca 0.00 0.80 -0.10 0.00 -2.02 0.00 0.00 58.31 56.99 2wdn n LYS 22 Cb 0.00 -1.19 -0.01 0.00 -0.02 0.00 0.00 35.03 33.80 2wdn n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdn n GLY 23 N -1.26 2.10 1.18 0.72 0.00 -1.26 -4.93 105.19 101.74 2wdn n GLY 23 Ca 0.06 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.61 2wdn n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdn n GLY 24 N -0.43 0.82 0.41 -0.02 0.00 -1.26 -4.83 105.19 99.88 2wdn n GLY 24 Ca -0.01 -0.59 0.14 0.00 0.00 0.00 0.00 46.02 45.56 2wdn n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wdn n ASP 25 N 1.18 1.28 -4.32 1.61 5.75 -1.26 -0.47 116.55 120.33 2wdn n ASP 25 Ca 0.00 -1.41 -0.17 0.00 -0.01 0.00 0.00 54.79 53.20 2wdn n ASP 25 Cb 0.14 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.13 2wdn n ASP 25 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 2wdn s TYR 26 N -2.01 1.56 0.05 2.11 -0.85 -1.26 -4.85 117.35 112.09 2wdn s TYR 26 Ca 0.39 -0.75 -0.30 0.00 -0.52 0.00 0.00 57.07 55.89 2wdn s TYR 26 Cb 0.21 -0.82 -0.18 0.00 0.38 0.00 0.00 41.96 41.55 2wdn s TYR 26 CO 0.34 0.15 1.47 0.28 -1.52 0.00 0.00 175.55 176.27 2wdn h VAL 27 N 2.56 0.38 -6.90 -3.49 2.07 -1.90 -3.47 116.25 105.51 2wdn h VAL 27 Ca -0.38 -0.17 -0.13 0.00 0.82 0.00 0.00 66.70 66.84 2wdn h VAL 27 Cb 1.21 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2wdn h VAL 27 CO 0.64 0.02 -0.22 0.00 0.02 0.00 0.00 177.57 178.04 2wdn n ALA 28 N -2.50 -1.31 0.00 1.67 0.00 -1.26 -4.29 120.51 112.81 2wdn n ALA 28 Ca -0.12 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2wdn n ALA 28 Cb 0.34 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.33 2wdn n ALA 28 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2wdn n PHE 29 N -1.81 -0.59 -2.75 0.00 7.35 -1.26 -5.16 117.46 113.24 2wdn n PHE 29 Ca -0.03 0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 2wdn n PHE 29 Cb 0.13 0.16 0.00 0.00 0.35 0.00 0.00 39.48 40.12 2wdn n PHE 29 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2wdn n GLY 30 N -1.05 6.95 0.10 7.13 0.00 -1.26 -5.04 105.19 112.01 2wdn n GLY 30 Ca 0.00 -1.99 -0.18 0.00 0.00 0.00 0.00 46.02 43.84 2wdn n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wdn n ASP 31 N 0.00 1.85 -4.80 1.61 8.00 -0.29 -4.98 116.55 117.94 2wdn n ASP 31 Ca 0.00 0.47 -0.33 0.00 0.71 0.00 0.00 54.79 55.64 2wdn n ASP 31 Cb 0.00 -0.94 -0.06 0.00 -0.02 0.00 0.00 41.12 40.09 2wdn n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2wdn s TYR 32 N -2.34 1.73 0.27 1.24 1.51 -1.21 -4.32 117.35 114.24 2wdn s TYR 32 Ca -0.26 -0.99 -0.19 0.00 -1.01 0.00 0.00 57.07 54.61 2wdn s TYR 32 Cb 0.05 -1.61 0.07 0.00 -0.11 0.00 0.00 41.96 40.35 2wdn s TYR 32 CO 0.51 0.12 0.93 0.20 -1.11 0.00 0.00 175.55 176.20 2wdn s GLY 33 N -3.95 0.21 -0.32 0.71 0.00 -0.83 -3.27 107.32 99.88 2wdn s GLY 33 Ca 0.04 -0.50 -0.01 0.00 0.00 0.00 0.00 44.72 44.25 2wdn s GLY 33 CO 0.02 1.17 0.11 -2.27 0.00 0.00 0.00 173.10 172.14 2wdn s LEU 34 N -3.24 2.03 0.54 0.66 2.96 -0.79 -2.62 118.68 118.22 2wdn s LEU 34 Ca 0.19 -1.68 -0.08 0.00 -0.22 0.00 0.00 54.13 52.34 2wdn s LEU 34 Cb -0.04 -0.80 -0.04 0.00 0.50 0.00 0.00 46.19 45.81 2wdn s LEU 34 CO 0.08 -0.41 0.89 0.54 -1.32 0.00 0.00 176.35 176.13 2wdn s VAL 35 N 1.57 4.82 0.19 1.68 0.11 -0.71 -1.58 120.40 126.49 2wdn s VAL 35 Ca 0.10 0.49 0.04 0.00 -2.93 0.00 0.00 61.98 59.68 2wdn s VAL 35 Cb -0.18 -3.87 -0.03 0.00 -1.53 0.00 0.00 36.38 30.77 2wdn s VAL 35 CO -0.24 -0.97 0.31 0.00 -3.33 0.00 0.00 175.10 170.87 2wdn s ALA 36 N -2.92 3.94 0.00 1.54 0.00 0.82 -2.33 121.76 122.80 2wdn s ALA 36 Ca 0.51 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.34 2wdn s ALA 36 Cb -0.11 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.27 2wdn s ALA 36 CO 0.48 0.40 0.00 1.28 0.00 0.00 0.00 175.76 177.93 2wdn n LEU 37 N -0.93 0.00 -4.15 0.00 4.77 -0.22 -1.50 117.00 114.98 2wdn n LEU 37 Ca -0.08 -0.40 -0.11 0.00 -0.03 0.00 0.00 56.01 55.39 2wdn n LEU 37 Cb 0.55 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.54 2wdn n LEU 37 CO 0.47 0.00 -0.39 -1.61 -1.33 0.00 0.00 177.39 174.53 2wdn s GLU 38 N -1.00 0.78 0.55 3.23 2.02 -1.25 -4.75 118.70 118.28 2wdn s GLU 38 Ca 0.00 -1.22 -0.06 0.00 0.02 0.00 0.00 54.97 53.71 2wdn s GLU 38 Cb 0.00 -0.23 -0.01 0.00 0.10 0.00 0.00 34.13 33.99 2wdn s GLU 38 CO 0.00 -0.00 0.85 -1.25 0.02 0.00 0.00 175.26 174.88 2wdn s PRO 39 N -3.39 3.18 0.00 0.39 0.04 -1.26 -4.15 135.00 129.81 2wdn s PRO 39 Ca 0.08 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.20 2wdn s PRO 39 Cb 0.02 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2wdn s PRO 39 CO -0.04 -0.49 0.00 0.00 0.04 0.00 0.00 177.00 176.51 2wdn n ALA 40 N -2.45 0.00 -2.58 8.56 0.00 -0.73 -5.00 120.51 118.32 2wdn n ALA 40 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 2wdn n ALA 40 Cb 0.56 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.91 2wdn n ALA 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2wdn s TRP 41 N -2.00 3.23 -0.30 0.00 0.51 -1.26 -1.98 118.94 117.14 2wdn s TRP 41 Ca 0.00 -0.41 -0.19 0.00 -2.12 0.00 0.00 56.10 53.38 2wdn s TRP 41 Cb 0.00 -2.49 -0.01 0.00 -0.81 0.00 0.00 33.47 30.16 2wdn s TRP 41 CO 0.00 -0.45 0.59 0.42 -0.51 0.00 0.00 176.95 177.00 2wdn s ILE 42 N 1.69 4.98 0.51 2.03 1.09 0.20 -4.84 121.20 126.85 2wdn s ILE 42 Ca 0.05 0.83 -0.21 0.00 -1.10 0.00 0.00 60.65 60.22 2wdn s ILE 42 Cb -0.18 -3.95 -0.06 0.00 -1.06 0.00 0.00 42.46 37.21 2wdn s ILE 42 CO 0.10 -0.08 1.18 0.42 -0.10 0.00 0.00 174.94 176.45 2wdn s THR 43 N 2.50 2.96 0.56 2.92 -4.23 -1.26 -0.08 115.64 119.02 2wdn s THR 43 Ca 0.24 0.67 0.31 0.00 -1.18 0.00 0.00 61.69 61.72 2wdn s THR 43 Cb -0.15 -3.31 0.35 0.00 1.34 0.00 0.00 72.50 70.73 2wdn s THR 43 CO 0.11 -0.06 2.23 0.00 -0.54 0.00 0.00 174.62 176.36 2wdn h ALA 44 N 1.60 1.42 0.00 3.99 0.00 -1.73 -0.48 119.26 124.07 2wdn h ALA 44 Ca -0.50 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2wdn h ALA 44 Cb 1.26 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2wdn h ALA 44 CO 0.58 0.03 -0.03 -0.56 0.00 0.00 0.00 179.25 179.27 2wdn h GLN 45 N 0.00 0.00 0.12 0.00 -0.00 -1.91 0.25 115.11 113.58 2wdn h GLN 45 Ca -0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.49 2wdn h GLN 45 Cb 0.07 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 27.56 2wdn h GLN 45 CO 0.00 0.03 -0.73 1.96 -0.00 0.00 0.00 178.83 180.09 2wdn h GLN 46 N 0.00 0.26 0.28 0.06 4.20 -1.44 -2.59 115.11 115.87 2wdn h GLN 46 Ca -0.00 -0.44 -0.01 0.00 0.06 0.00 0.00 58.65 58.26 2wdn h GLN 46 Cb 0.79 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.73 2wdn h GLN 46 CO 0.00 1.21 -0.15 0.82 -0.67 0.00 0.00 178.83 180.04 2wdn h ILE 47 N -0.46 0.00 0.00 2.54 2.04 -1.17 0.17 117.51 120.63 2wdn h ILE 47 Ca -0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2wdn h ILE 47 Cb 1.56 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2wdn h ILE 47 CO 0.13 0.00 0.00 1.21 0.00 0.00 0.00 178.15 179.49 2wdn n GLU 48 N -3.14 0.00 -0.08 2.37 4.07 0.88 -0.04 120.64 124.70 2wdn n GLU 48 Ca -0.05 0.30 -0.14 0.00 -0.06 0.00 0.00 57.16 57.21 2wdn n GLU 48 Cb 0.16 -1.50 -0.14 0.00 -0.06 0.00 0.00 31.44 29.90 2wdn n GLU 48 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wdn n ALA 49 N -1.30 1.38 0.07 4.31 0.00 -0.93 -2.68 120.51 121.36 2wdn n ALA 49 Ca 0.00 -1.03 -0.06 0.00 0.00 0.00 0.00 53.44 52.34 2wdn n ALA 49 Cb 0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 19.45 19.01 2wdn n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdn h ALA 50 N 0.55 0.45 0.00 0.00 0.00 0.17 -2.63 119.26 117.80 2wdn h ALA 50 Ca -0.49 -0.85 -0.00 0.00 0.00 0.00 0.00 54.91 53.58 2wdn h ALA 50 Cb 2.07 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2wdn h ALA 50 CO 0.01 1.15 -0.00 -0.09 0.00 0.00 0.00 179.25 180.33 2wdn h ARG 51 N 0.01 -0.00 -0.94 0.00 2.43 -0.63 -0.65 114.38 114.60 2wdn h ARG 51 Ca -0.02 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.30 2wdn h ARG 51 Cb 1.66 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 31.12 2wdn h ARG 51 CO 0.12 0.90 0.55 0.28 -1.51 0.00 0.00 179.97 180.31 2wdn h VAL 52 N -0.91 0.81 -0.15 0.20 2.07 -1.60 0.17 116.25 116.84 2wdn h VAL 52 Ca -0.00 -0.28 -0.11 0.00 0.82 0.00 0.00 66.70 67.14 2wdn h VAL 52 Cb 0.90 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2wdn h VAL 52 CO 0.00 0.15 -0.37 0.00 0.02 0.00 0.00 177.57 177.37 2wdn h ALA 53 N 1.56 1.09 0.12 1.67 0.00 -1.50 -2.33 119.26 119.88 2wdn h ALA 53 Ca 0.50 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2wdn h ALA 53 Cb 0.62 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2wdn h ALA 53 CO -0.32 0.58 -0.45 1.98 0.00 0.00 0.00 179.25 181.04 2wdn h MET 54 N 0.28 -0.63 0.01 0.00 -1.53 0.97 -1.11 114.93 112.93 2wdn h MET 54 Ca 0.03 0.04 -0.00 0.00 -3.44 0.00 0.00 59.70 56.33 2wdn h MET 54 Cb 0.78 0.14 0.00 0.00 -0.55 0.00 0.00 31.60 31.98 2wdn h MET 54 CO 0.06 -0.42 -0.01 -0.39 0.14 0.00 0.00 176.91 176.29 2wdn h VAL 55 N -0.66 0.99 -0.87 -5.77 -1.51 -1.51 -2.75 116.25 104.17 2wdn h VAL 55 Ca -0.01 -0.00 0.17 0.00 -1.23 0.00 0.00 66.70 65.63 2wdn h VAL 55 Cb 0.65 0.99 -0.16 0.00 -2.13 0.00 0.00 31.29 30.64 2wdn h VAL 55 CO -0.23 0.00 -0.23 0.54 -1.23 0.00 0.00 177.57 176.41 2wdn n ARG 56 N -5.10 -0.10 0.02 5.19 5.12 -0.88 0.12 116.66 121.04 2wdn n ARG 56 Ca -0.07 1.36 -0.01 0.00 -1.93 0.00 0.00 57.85 57.20 2wdn n ARG 56 Cb 0.04 -2.03 -0.01 0.00 -1.16 0.00 0.00 32.46 29.31 2wdn n ARG 56 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2wdn h HIS 57 N 0.00 -0.07 -1.60 -1.55 2.76 -0.90 -2.99 115.15 110.79 2wdn h HIS 57 Ca 0.40 -0.00 -0.72 0.00 -2.20 0.00 0.00 60.37 57.85 2wdn h HIS 57 Cb 0.62 0.03 -0.20 0.00 1.55 0.00 0.00 27.41 29.41 2wdn h HIS 57 CO -0.68 -0.04 1.41 1.97 -1.30 0.00 0.00 177.93 179.29 2wdn n PHE 58 N -2.34 2.52 -1.71 5.26 1.16 -0.42 -4.98 117.46 116.94 2wdn n PHE 58 Ca -0.01 -2.50 -0.57 0.00 -1.87 0.00 0.00 57.45 52.51 2wdn n PHE 58 Cb 0.03 -1.46 -0.07 0.00 -1.61 0.00 0.00 39.48 36.37 2wdn n PHE 58 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 2wdn n ARG 59 N 0.67 1.24 -1.48 3.97 1.85 0.32 0.09 116.66 123.32 2wdn n ARG 59 Ca 0.54 0.45 -0.01 0.00 -1.00 0.00 0.00 57.85 57.84 2wdn n ARG 59 Cb 0.31 -2.15 -0.00 0.00 -1.05 0.00 0.00 32.46 29.56 2wdn n ARG 59 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2wdn n ARG 60 N 5.45 -0.05 0.00 2.89 1.74 -1.26 -5.05 116.66 120.39 2wdn n ARG 60 Ca 0.26 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 2wdn n ARG 60 Cb 0.14 -3.82 0.00 0.00 -1.02 0.00 0.00 32.46 27.76 2wdn n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdn n GLY 61 N -2.02 1.48 3.95 -0.13 0.00 0.11 -5.10 105.19 103.48 2wdn n GLY 61 Ca -0.01 -1.61 -0.28 0.00 0.00 0.00 0.00 46.02 44.13 2wdn n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdn s GLY 62 N 0.00 1.77 0.57 -0.02 0.00 -1.25 -5.01 107.32 103.37 2wdn s GLY 62 Ca 0.00 -1.34 -0.19 0.00 0.00 0.00 0.00 44.72 43.19 2wdn s GLY 62 CO 0.00 -0.65 1.14 1.25 0.00 0.00 0.00 173.10 174.84 2wdn s LYS 63 N -5.65 3.20 -0.07 2.90 2.20 -0.99 -4.80 119.74 116.53 2wdn s LYS 63 Ca 0.71 1.62 0.05 0.00 -0.36 0.00 0.00 55.97 57.98 2wdn s LYS 63 Cb -0.05 -1.98 -0.00 0.00 -1.51 0.00 0.00 37.83 34.29 2wdn s LYS 63 CO 0.50 -0.97 -0.22 0.42 -0.36 0.00 0.00 175.35 174.72 2wdn s ILE 64 N -1.82 1.89 -0.16 5.43 1.01 -1.26 -2.41 121.20 123.87 2wdn s ILE 64 Ca 0.73 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 60.40 2wdn s ILE 64 Cb -0.25 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 2wdn s ILE 64 CO 0.30 0.53 -0.06 -0.36 0.00 0.00 0.00 174.94 175.35 2wdn s PHE 65 N 0.16 2.97 -0.72 3.97 0.08 0.30 -5.00 117.98 119.74 2wdn s PHE 65 Ca -0.11 -0.47 -0.00 0.00 0.12 0.00 0.00 56.93 56.47 2wdn s PHE 65 Cb -0.16 -1.96 0.18 0.00 -0.57 0.00 0.00 43.02 40.51 2wdn s PHE 65 CO 0.06 -0.16 0.54 0.96 -0.10 0.00 0.00 175.22 176.52 2wdn s ILE 66 N 0.55 3.63 0.00 0.64 -4.36 -1.26 -2.00 121.20 118.40 2wdn s ILE 66 Ca -0.04 -3.57 0.00 0.00 -0.26 0.00 0.00 60.65 56.78 2wdn s ILE 66 Cb -0.15 -3.34 0.00 0.00 1.25 0.00 0.00 42.46 40.23 2wdn s ILE 66 CO 0.03 -0.96 1.35 0.54 0.24 0.00 0.00 174.94 176.14 2wdn n ARG 67 N 2.75 0.80 -3.75 0.37 1.74 0.12 -4.72 116.66 113.97 2wdn n ARG 67 Ca 0.14 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.09 2wdn n ARG 67 Cb 0.36 -1.10 -0.09 0.00 -1.02 0.00 0.00 32.46 30.61 2wdn n ARG 67 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2wdn s ILE 68 N 0.33 0.04 -0.01 0.55 -4.36 -1.26 -4.76 121.20 111.73 2wdn s ILE 68 Ca 0.00 -0.34 0.02 0.00 -0.26 0.00 0.00 60.65 60.06 2wdn s ILE 68 Cb 0.00 -0.60 0.00 0.00 1.25 0.00 0.00 42.46 43.12 2wdn s ILE 68 CO 0.00 -0.19 -0.05 0.12 0.24 0.00 0.00 174.94 175.06 2wdn s PHE 69 N -0.95 0.55 -0.97 1.37 5.36 -1.26 -5.07 117.98 117.02 2wdn s PHE 69 Ca -0.10 -0.11 -0.24 0.00 -0.96 0.00 0.00 56.93 55.52 2wdn s PHE 69 Cb -0.04 -0.41 0.03 0.00 -0.34 0.00 0.00 43.02 42.25 2wdn s PHE 69 CO 0.03 -0.05 1.56 -1.25 -1.46 0.00 0.00 175.22 174.05 2wdn s PRO 70 N 0.16 3.32 -0.13 10.12 0.04 -1.26 -4.17 135.00 143.08 2wdn s PRO 70 Ca -0.02 -0.86 0.17 0.00 0.04 0.00 0.00 61.00 60.33 2wdn s PRO 70 Cb -0.06 -5.22 -0.25 0.00 0.04 0.00 0.00 34.50 29.02 2wdn s PRO 70 CO -0.00 -2.48 0.17 -0.40 0.04 0.00 0.00 177.00 174.33 2wdn n ASP 71 N 10.13 0.56 -4.70 6.66 5.75 -1.21 -4.02 116.55 129.73 2wdn n ASP 71 Ca 0.33 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.69 2wdn n ASP 71 Cb 0.50 1.22 -0.03 0.00 -1.03 0.00 0.00 41.12 41.78 2wdn n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2wdn s LYS 72 N -2.71 4.49 0.03 0.11 2.20 -0.90 -4.90 119.74 118.06 2wdn s LYS 72 Ca -0.08 1.25 -0.27 0.00 -0.36 0.00 0.00 55.97 56.50 2wdn s LYS 72 Cb 0.07 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 2wdn s LYS 72 CO 0.76 -0.09 0.86 -2.14 -0.36 0.00 0.00 175.35 174.39 2wdn s PRO 73 N 1.21 4.55 -0.10 4.03 0.02 -1.26 0.49 135.00 143.94 2wdn s PRO 73 Ca 0.47 1.23 -0.20 0.00 0.02 0.00 0.00 61.00 62.51 2wdn s PRO 73 Cb -0.19 -3.41 -0.04 0.00 0.02 0.00 0.00 34.50 30.88 2wdn s PRO 73 CO 0.23 0.13 0.57 -0.47 -0.33 0.00 0.00 177.00 177.13 2wdn s TYR 74 N 0.40 3.53 -0.12 6.54 5.04 0.39 -4.76 117.35 128.38 2wdn s TYR 74 Ca 0.44 1.03 0.01 0.00 -2.44 0.00 0.00 57.07 56.11 2wdn s TYR 74 Cb -0.21 -2.66 -0.01 0.00 0.35 0.00 0.00 41.96 39.43 2wdn s TYR 74 CO 0.25 0.13 -0.15 0.99 -1.34 0.00 0.00 175.55 175.43 2wdn s THR 75 N 0.73 2.89 -0.08 4.34 2.01 -1.26 0.48 115.64 124.74 2wdn s THR 75 Ca 0.31 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.54 2wdn s THR 75 Cb -0.16 -2.20 0.04 0.00 0.01 0.00 0.00 72.50 70.20 2wdn s THR 75 CO 0.13 0.53 0.19 -0.75 -0.69 0.00 0.00 174.62 174.04 2wdn s LYS 76 N 0.31 0.14 0.59 4.92 2.20 -1.05 -4.93 119.74 121.91 2wdn s LYS 76 Ca -0.11 0.45 -0.17 0.00 -0.36 0.00 0.00 55.97 55.77 2wdn s LYS 76 Cb -0.16 -0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 35.97 2wdn s LYS 76 CO 0.06 -0.17 1.10 0.15 -0.36 0.00 0.00 175.35 176.13 2wdn s LYS 77 N 1.29 3.20 0.40 4.03 1.02 -1.26 -4.06 119.74 124.35 2wdn s LYS 77 Ca -0.08 1.44 -0.24 0.00 0.02 0.00 0.00 55.97 57.11 2wdn s LYS 77 Cb -0.11 -2.00 -0.12 0.00 -0.52 0.00 0.00 37.83 35.08 2wdn s LYS 77 CO -0.07 -0.94 0.79 -2.30 -0.92 0.00 0.00 175.35 171.90 2wdn n PRO 78 N -1.78 0.94 -1.75 -1.68 -0.02 -1.26 -4.86 135.00 124.59 2wdn n PRO 78 Ca 0.10 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 2wdn n PRO 78 Cb 0.52 -1.74 -0.01 0.00 -0.02 0.00 0.00 33.50 32.25 2wdn n PRO 78 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2wdn n LEU 79 N 0.97 4.44 -0.16 2.45 0.00 -1.26 -2.88 117.00 120.56 2wdn n LEU 79 Ca 0.11 1.20 -0.02 0.00 0.00 0.00 0.00 56.01 57.30 2wdn n LEU 79 Cb 0.38 -1.59 -0.01 0.00 0.00 0.00 0.00 43.42 42.20 2wdn n LEU 79 CO 0.56 0.04 -0.02 1.21 0.00 0.00 0.00 177.39 179.18 2wdn n GLU 80 N 0.94 -0.58 -3.41 1.96 2.13 -1.26 -5.03 120.64 115.40 2wdn n GLU 80 Ca 0.04 0.34 -0.20 0.00 0.66 0.00 0.00 57.16 57.99 2wdn n GLU 80 Cb 0.38 -3.90 -0.00 0.00 0.27 0.00 0.00 31.44 28.18 2wdn n GLU 80 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2wdn s VAL 81 N -1.86 4.20 0.69 6.31 -7.23 -1.14 -5.11 120.40 116.25 2wdn s VAL 81 Ca 0.00 -0.87 0.02 0.00 -1.81 0.00 0.00 61.98 59.32 2wdn s VAL 81 Cb 0.00 -3.48 0.12 0.00 0.56 0.00 0.00 36.38 33.58 2wdn s VAL 81 CO 0.00 -0.22 0.95 0.00 -0.31 0.00 0.00 175.10 175.51 2wdn s ARG 82 N -4.25 1.82 1.24 4.82 1.70 -1.26 -5.03 118.95 118.00 2wdn s ARG 82 Ca 0.45 -1.27 -0.15 0.00 -0.47 0.00 0.00 55.73 54.29 2wdn s ARG 82 Cb -0.10 -2.41 0.32 0.00 -0.57 0.00 0.00 34.95 32.19 2wdn s ARG 82 CO 0.33 -1.31 1.00 -1.64 -1.08 0.00 0.00 175.30 172.59 2wdn s MET 83 N -5.02 -1.53 2.01 3.89 -1.94 -1.26 -4.94 119.30 110.50 2wdn s MET 83 Ca 0.65 0.71 0.00 0.00 -1.71 0.00 0.00 55.69 55.35 2wdn s MET 83 Cb -0.05 -1.49 0.00 0.00 2.01 0.00 0.00 34.83 35.30 2wdn s MET 83 CO 0.43 -4.10 0.00 0.41 -0.01 0.00 0.00 175.02 171.75 2wdn n GLY 84 N 1.12 -0.34 2.41 -0.03 0.00 -1.26 -4.96 105.19 102.13 2wdn n GLY 84 Ca 0.04 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 2wdn n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdn n LYS 85 N -1.27 -3.56 0.00 1.61 4.76 -1.26 -4.90 118.16 113.53 2wdn n LYS 85 Ca 0.00 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 2wdn n LYS 85 Cb 0.00 -4.04 0.00 0.00 -1.84 0.00 0.00 35.03 29.15 2wdn n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wdn n GLY 86 N -1.17 0.55 3.78 0.72 0.00 -1.26 -4.96 105.19 102.85 2wdn n GLY 86 Ca -0.01 -1.80 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 2wdn n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wdn s LYS 87 N -2.55 4.63 1.08 1.61 2.20 -1.26 -5.02 119.74 120.43 2wdn s LYS 87 Ca 0.00 1.36 -0.13 0.00 -0.36 0.00 0.00 55.97 56.85 2wdn s LYS 87 Cb 0.00 -2.88 0.24 0.00 -1.51 0.00 0.00 37.83 33.67 2wdn s LYS 87 CO 0.00 0.32 1.06 0.20 -0.36 0.00 0.00 175.35 176.57 2wdn s GLY 88 N -1.54 1.56 1.10 5.54 0.00 -1.26 -5.04 107.32 107.69 2wdn s GLY 88 Ca 0.49 -0.22 -0.19 0.00 0.00 0.00 0.00 44.72 44.80 2wdn s GLY 88 CO 0.25 0.44 1.23 1.16 0.00 0.00 0.00 173.10 176.19 2wdn n ASN 89 N -4.56 -0.92 -4.76 1.64 0.23 -1.26 -4.68 115.26 100.95 2wdn n ASN 89 Ca 0.04 -1.34 -0.38 0.00 -0.53 0.00 0.00 54.58 52.37 2wdn n ASN 89 Cb 0.56 -1.02 -0.06 0.00 -2.08 0.00 0.00 39.78 37.17 2wdn n ASN 89 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2wdn s VAL 90 N -3.50 5.11 -0.17 3.53 1.01 -1.26 -2.53 120.40 122.58 2wdn s VAL 90 Ca 0.74 0.93 -0.00 0.00 0.00 0.00 0.00 61.98 63.64 2wdn s VAL 90 Cb -0.04 -3.79 -0.22 0.00 0.00 0.00 0.00 36.38 32.33 2wdn s VAL 90 CO 0.54 0.42 0.14 -0.62 0.00 0.00 0.00 175.10 175.58 2wdn n GLU 91 N 2.97 0.70 -0.19 2.72 -0.58 0.18 -4.93 120.64 121.51 2wdn n GLU 91 Ca -0.09 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 2wdn n GLU 91 Cb 0.52 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 2wdn n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wdn n GLY 92 N 2.05 0.71 3.26 0.62 0.00 -1.21 -4.99 105.19 105.65 2wdn n GLY 92 Ca -0.36 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 44.89 2wdn n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wdn s TYR 93 N -2.03 1.36 0.02 1.61 1.51 -1.26 0.15 117.35 118.71 2wdn s TYR 93 Ca 0.00 -0.68 -0.09 0.00 -1.01 0.00 0.00 57.07 55.29 2wdn s TYR 93 Cb 0.00 -0.68 0.00 0.00 -0.11 0.00 0.00 41.96 41.17 2wdn s TYR 93 CO 0.00 0.14 0.18 0.14 -1.11 0.00 0.00 175.55 174.90 2wdn s VAL 94 N -3.03 0.09 -0.12 0.71 -7.23 0.18 -1.90 120.40 109.10 2wdn s VAL 94 Ca 0.16 -0.76 -0.07 0.00 -1.81 0.00 0.00 61.98 59.50 2wdn s VAL 94 Cb 0.00 -0.66 -0.04 0.00 0.56 0.00 0.00 36.38 36.25 2wdn s VAL 94 CO 0.02 -0.42 0.13 0.00 -0.31 0.00 0.00 175.10 174.52 2wdn s ALA 95 N -1.88 3.85 -0.74 1.32 0.00 0.88 -2.12 121.76 123.07 2wdn s ALA 95 Ca -0.11 -0.65 -0.20 0.00 0.00 0.00 0.00 51.96 51.00 2wdn s ALA 95 Cb -0.05 -1.94 0.10 0.00 0.00 0.00 0.00 23.12 21.23 2wdn s ALA 95 CO -0.00 0.62 0.97 0.08 0.00 0.00 0.00 175.76 177.42 2wdn s VAL 96 N -1.03 4.59 -0.07 0.00 1.01 -1.26 -0.63 120.40 123.02 2wdn s VAL 96 Ca 0.15 -0.95 -0.20 0.00 0.00 0.00 0.00 61.98 60.98 2wdn s VAL 96 Cb -0.12 -4.68 -0.05 0.00 0.00 0.00 0.00 36.38 31.54 2wdn s VAL 96 CO 0.04 -1.40 0.55 -0.69 0.00 0.00 0.00 175.10 173.60 2wdn s VAL 97 N 3.23 5.07 0.36 2.92 1.01 -0.84 -4.99 120.40 127.16 2wdn s VAL 97 Ca 0.24 1.12 0.08 0.00 0.00 0.00 0.00 61.98 63.42 2wdn s VAL 97 Cb -0.14 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 2wdn s VAL 97 CO 0.02 0.36 0.15 -0.54 0.00 0.00 0.00 175.10 175.09 2wdn s LYS 98 N 0.30 2.30 -0.22 2.72 1.02 -1.26 -1.77 119.74 122.84 2wdn s LYS 98 Ca 0.29 -1.65 -0.28 0.00 0.02 0.00 0.00 55.97 54.35 2wdn s LYS 98 Cb -0.17 -2.10 -0.05 0.00 -0.52 0.00 0.00 37.83 35.00 2wdn s LYS 98 CO 0.14 0.04 2.10 -2.14 -0.92 0.00 0.00 175.35 174.57 2wdn s PRO 99 N -3.86 3.26 0.00 -1.68 0.02 -1.26 -2.56 135.00 128.93 2wdn s PRO 99 Ca 0.39 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.35 2wdn s PRO 99 Cb -0.01 -4.31 0.00 0.00 0.02 0.00 0.00 34.50 30.20 2wdn s PRO 99 CO 0.22 -1.95 0.00 0.41 -0.33 0.00 0.00 177.00 175.35 2wdn n GLY 100 N 5.57 1.93 3.75 0.52 0.00 -0.56 -3.47 105.19 112.93 2wdn n GLY 100 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 2wdn n GLY 100 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wdn s ARG 101 N 0.00 4.41 -0.45 1.61 6.06 -1.06 -4.35 118.95 125.18 2wdn s ARG 101 Ca 0.00 2.08 -0.20 0.00 -2.50 0.00 0.00 55.73 55.11 2wdn s ARG 101 Cb 0.00 -3.15 0.03 0.00 0.06 0.00 0.00 34.95 31.89 2wdn s ARG 101 CO 0.00 -0.16 0.62 0.08 -2.50 0.00 0.00 175.30 173.34 2wdn s VAL 102 N -0.52 4.85 -0.07 7.11 1.01 0.38 -0.13 120.40 133.03 2wdn s VAL 102 Ca 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.43 2wdn s VAL 102 Cb -0.37 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 31.79 2wdn s VAL 102 CO 0.44 -0.64 -0.02 0.24 0.00 0.00 0.00 175.10 175.12 2wdn h MET 103 N 8.90 0.00 -6.19 2.72 0.00 -1.59 -3.41 114.93 115.36 2wdn h MET 103 Ca -0.26 0.00 -0.54 0.00 0.00 0.00 0.00 59.70 58.90 2wdn h MET 103 Cb 1.10 0.00 -0.02 0.00 0.00 0.00 0.00 31.60 32.67 2wdn h MET 103 CO 0.90 0.00 -0.25 -0.06 0.00 0.00 0.00 176.91 177.50 2wdn s PHE 104 N -1.44 1.77 0.00 -0.22 2.99 -1.24 0.10 117.98 119.94 2wdn s PHE 104 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 56.93 56.18 2wdn s PHE 104 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 43.02 40.97 2wdn s PHE 104 CO 0.02 -0.61 0.00 -0.85 -0.00 0.00 0.00 175.22 173.78 2wdn n GLU 105 N -1.87 0.00 -1.79 0.44 0.28 -0.85 -1.89 120.64 114.97 2wdn n GLU 105 Ca 0.05 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.96 2wdn n GLU 105 Cb 0.63 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.53 2wdn n GLU 105 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 2wdn n VAL 106 N -0.02 0.00 0.00 3.84 0.24 -1.20 -0.54 118.33 120.65 2wdn n VAL 106 Ca 0.00 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.48 2wdn n VAL 106 Cb 0.00 -0.87 0.00 0.00 -1.47 0.00 0.00 33.84 31.50 2wdn n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wdn n ALA 107 N -2.76 0.00 -1.09 2.33 0.00 -1.01 -1.14 120.51 116.84 2wdn n ALA 107 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 2wdn n ALA 107 Cb 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.70 2wdn n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdn n GLY 108 N -0.02 0.58 3.40 0.00 0.00 -1.26 -2.34 105.19 105.55 2wdn n GLY 108 Ca 0.00 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 2wdn n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdn s VAL 109 N -1.90 1.83 0.44 1.61 1.01 -1.26 -3.94 120.40 118.19 2wdn s VAL 109 Ca 0.00 -2.21 -0.23 0.00 0.00 0.00 0.00 61.98 59.54 2wdn s VAL 109 Cb 0.00 -2.25 -0.08 0.00 0.00 0.00 0.00 36.38 34.05 2wdn s VAL 109 CO 0.00 -0.44 1.13 0.42 0.00 0.00 0.00 175.10 176.21 2wdn s THR 110 N -2.90 3.28 -0.39 3.92 -4.23 -1.26 -4.88 115.64 109.18 2wdn s THR 110 Ca 0.26 0.98 0.19 0.00 -1.18 0.00 0.00 61.69 61.94 2wdn s THR 110 Cb 0.00 -3.50 0.19 0.00 1.34 0.00 0.00 72.50 70.53 2wdn s THR 110 CO 0.10 0.00 1.58 -1.84 -0.54 0.00 0.00 174.62 173.92 2wdn n GLU 111 N -0.32 0.13 -0.02 3.99 0.28 -1.26 -1.33 120.64 122.11 2wdn n GLU 111 Ca 0.06 0.56 -0.16 0.00 -0.16 0.00 0.00 57.16 57.47 2wdn n GLU 111 Cb 0.48 -1.86 -0.12 0.00 1.43 0.00 0.00 31.44 31.36 2wdn n GLU 111 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2wdn h GLU 112 N 0.00 0.16 0.00 3.44 4.81 -2.01 -3.12 114.58 117.86 2wdn h GLU 112 Ca 0.00 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 2wdn h GLU 112 Cb 0.09 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 2wdn h GLU 112 CO 0.00 1.01 -0.13 1.96 -0.73 0.00 0.00 179.01 181.12 2wdn h GLN 113 N -0.60 0.00 0.17 1.92 4.20 -1.58 -2.97 115.11 116.26 2wdn h GLN 113 Ca -0.05 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2wdn h GLN 113 Cb 1.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.92 2wdn h GLN 113 CO 0.06 0.13 -0.08 0.00 -0.67 0.00 0.00 178.83 178.27 2wdn h ALA 114 N 1.87 -0.23 -0.55 3.87 0.00 -1.29 0.18 119.26 123.10 2wdn h ALA 114 Ca -0.00 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.79 2wdn h ALA 114 Cb 0.67 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 2wdn h ALA 114 CO 0.02 -0.34 0.09 0.52 0.00 0.00 0.00 179.25 179.53 2wdn h MET 115 N -0.80 0.21 -0.02 0.00 2.86 -1.56 0.18 114.93 115.80 2wdn h MET 115 Ca -0.02 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2wdn h MET 115 Cb 0.52 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 2wdn h MET 115 CO 0.04 0.14 -0.02 1.49 1.06 0.00 0.00 176.91 179.62 2wdn h GLU 116 N 0.21 0.05 0.29 1.72 4.57 -1.58 -1.69 114.58 118.16 2wdn h GLU 116 Ca 0.29 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.44 2wdn h GLU 116 Cb 0.42 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 2wdn h GLU 116 CO -0.39 0.49 -0.43 0.00 -1.18 0.00 0.00 179.01 177.50 2wdn h ALA 117 N 0.56 -1.02 0.15 2.92 0.00 -0.05 -1.43 119.26 120.39 2wdn h ALA 117 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2wdn h ALA 117 Cb 0.48 0.73 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2wdn h ALA 117 CO 0.00 -1.08 -0.30 -0.07 0.00 0.00 0.00 179.25 177.80 2wdn h LEU 118 N -0.75 -0.86 -0.91 0.00 3.38 -0.77 -2.10 115.31 113.30 2wdn h LEU 118 Ca -0.03 0.10 0.25 0.00 0.09 0.00 0.00 57.88 58.29 2wdn h LEU 118 Cb 0.69 0.32 -0.15 0.00 0.09 0.00 0.00 40.66 41.61 2wdn h LEU 118 CO -0.13 -0.40 0.20 -0.09 0.09 0.00 0.00 178.44 178.11 2wdn h ARG 119 N -0.54 0.14 -0.36 1.13 2.43 -1.19 1.46 114.38 117.44 2wdn h ARG 119 Ca 0.02 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2wdn h ARG 119 Cb 0.56 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 2wdn h ARG 119 CO -0.16 0.09 0.16 0.82 -1.51 0.00 0.00 179.97 179.38 2wdn h ILE 120 N 0.15 1.13 -0.29 1.20 1.08 -0.60 -2.72 117.51 117.46 2wdn h ILE 120 Ca 0.58 -0.39 -0.18 0.00 -0.39 0.00 0.00 64.86 64.47 2wdn h ILE 120 Cb 1.20 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 35.64 2wdn h ILE 120 CO -0.72 0.16 -0.53 0.00 -0.69 0.00 0.00 178.15 176.37 2wdn h ALA 121 N 1.68 0.45 0.00 1.87 0.00 0.25 -2.86 119.26 120.64 2wdn h ALA 121 Ca 0.13 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2wdn h ALA 121 Cb 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wdn h ALA 121 CO -0.02 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.30 2wdn n GLY 122 N 0.37 -0.64 0.11 0.00 0.00 -0.45 -0.38 105.19 104.20 2wdn n GLY 122 Ca -0.04 0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2wdn n GLY 122 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2wdn h HIS 123 N 0.00 0.47 0.00 1.61 -0.00 -1.49 -3.22 115.15 112.52 2wdn h HIS 123 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 60.37 60.03 2wdn h HIS 123 Cb 0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2wdn h HIS 123 CO 0.00 1.34 0.00 1.63 -0.00 0.00 0.00 177.93 180.90 2wdn n LYS 124 N -3.48 0.13 -3.99 2.45 4.76 0.49 -4.75 118.16 113.76 2wdn n LYS 124 Ca -0.13 0.13 -0.35 0.00 -2.87 0.00 0.00 58.31 55.09 2wdn n LYS 124 Cb 1.04 -1.66 -0.09 0.00 -1.84 0.00 0.00 35.03 32.48 2wdn n LYS 124 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wdn s LEU 125 N -3.79 3.92 0.00 -0.35 1.43 -0.92 -4.85 118.68 114.12 2wdn s LEU 125 Ca 0.12 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 2wdn s LEU 125 Cb 0.15 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.39 2wdn s LEU 125 CO 0.54 0.23 0.21 -0.81 0.23 0.00 0.00 176.35 176.75 2wdn n PRO 126 N 3.19 0.29 -4.24 1.29 -0.04 -1.26 -4.76 135.00 129.46 2wdn n PRO 126 Ca -0.17 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.15 2wdn n PRO 126 Cb 0.53 -1.07 -0.10 0.00 -0.04 0.00 0.00 33.50 32.81 2wdn n PRO 126 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2wdn s ILE 127 N -1.49 0.68 0.00 0.52 -4.36 -1.26 -5.10 121.20 110.19 2wdn s ILE 127 Ca 0.00 -1.98 -0.30 0.00 -0.26 0.00 0.00 60.65 58.11 2wdn s ILE 127 Cb 0.00 -2.11 -0.04 0.00 1.25 0.00 0.00 42.46 41.57 2wdn s ILE 127 CO 0.00 -0.48 1.06 -0.54 0.24 0.00 0.00 174.94 175.22 2wdn s LYS 128 N -3.91 4.49 0.49 0.37 -0.14 -1.26 -4.93 119.74 114.85 2wdn s LYS 128 Ca 0.24 1.54 0.03 0.00 -1.36 0.00 0.00 55.97 56.41 2wdn s LYS 128 Cb 0.06 -3.44 -0.02 0.00 -1.68 0.00 0.00 37.83 32.74 2wdn s LYS 128 CO 0.04 -0.17 0.04 0.95 -0.76 0.00 0.00 175.35 175.44 2wdn s THR 129 N 1.23 1.40 0.07 2.17 -4.23 -1.26 -1.05 115.64 113.97 2wdn s THR 129 Ca 0.54 -1.96 -0.16 0.00 -1.18 0.00 0.00 61.69 58.94 2wdn s THR 129 Cb -0.23 -2.36 0.03 0.00 1.34 0.00 0.00 72.50 71.28 2wdn s THR 129 CO 0.27 0.00 0.36 -0.75 -0.54 0.00 0.00 174.62 173.96 2wdn s LYS 130 N -3.87 0.93 0.24 3.99 2.20 -0.99 -4.88 119.74 117.36 2wdn s LYS 130 Ca 0.15 -0.54 0.09 0.00 -0.36 0.00 0.00 55.97 55.31 2wdn s LYS 130 Cb 0.03 0.41 -0.04 0.00 -1.51 0.00 0.00 37.83 36.71 2wdn s LYS 130 CO 0.08 -0.33 -0.03 0.42 -0.36 0.00 0.00 175.35 175.13 2wdn s ILE 131 N -2.98 3.36 0.15 5.43 1.01 -1.26 -1.74 121.20 125.18 2wdn s ILE 131 Ca -0.02 -1.84 -0.13 0.00 0.00 0.00 0.00 60.65 58.66 2wdn s ILE 131 Cb 0.00 -2.76 0.01 0.00 0.01 0.00 0.00 42.46 39.73 2wdn s ILE 131 CO -0.06 -0.29 0.35 0.68 0.00 0.00 0.00 174.94 175.61 2wdn s VAL 132 N -2.15 0.07 0.00 2.92 -7.23 -1.08 -4.94 120.40 108.01 2wdn s VAL 132 Ca 0.30 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 2wdn s VAL 132 Cb -0.07 -1.53 0.00 0.00 0.56 0.00 0.00 36.38 35.34 2wdn s VAL 132 CO 0.18 -0.33 0.00 0.54 -0.31 0.00 0.00 175.10 175.19 2wdn n ARG 133 N -0.22 0.00 -2.21 4.82 1.74 -1.26 -1.96 116.66 117.57 2wdn n ARG 133 Ca -0.11 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.95 2wdn n ARG 133 Cb 0.63 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 32.12 2wdn n ARG 133 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wdn n ARG 134 N 0.00 0.60 0.00 5.56 1.74 -1.26 -4.39 116.66 118.91 2wdn n ARG 134 Ca 0.00 -0.70 0.00 0.00 -0.77 0.00 0.00 57.85 56.38 2wdn n ARG 134 Cb 0.00 0.13 0.00 0.00 -1.02 0.00 0.00 32.46 31.57 2wdn n ARG 134 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2wdn n ASP 135 N -0.66 0.00 -0.22 0.55 5.75 -1.26 -4.54 116.55 116.17 2wdn n ASP 135 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 2wdn n ASP 135 Cb 0.69 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 2wdn n ASP 135 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wdn n ALA 136 N -3.00 2.50 1.71 2.12 0.00 -1.26 -3.90 120.51 118.69 2wdn n ALA 136 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2wdn n ALA 136 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2wdn n ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wdn n TYR 137 N -0.28 0.00 -3.22 0.00 0.53 -1.26 -4.82 117.16 108.11 2wdn n TYR 137 Ca 0.00 -0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.51 2wdn n TYR 137 Cb 0.11 -0.03 -0.06 0.00 -1.03 0.00 0.00 39.34 38.33 2wdn n TYR 137 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 2wdn s ASP 138 N -0.72 7.01 -0.46 7.72 1.01 -1.25 -4.63 116.67 125.35 2wdn s ASP 138 Ca 0.00 1.28 0.09 0.00 0.71 0.00 0.00 52.55 54.63 2wdn s ASP 138 Cb 0.00 -2.37 0.35 0.00 1.01 0.00 0.00 42.92 41.92 2wdn s ASP 138 CO 0.00 0.15 0.85 1.21 0.21 0.00 0.00 175.17 177.59 2wdn n GLU 139 N 1.13 2.07 0.00 8.23 4.07 -1.26 -5.06 120.64 129.82 2wdn n GLU 139 Ca -0.06 -4.06 0.00 0.00 -0.06 0.00 0.00 57.16 52.98 2wdn n GLU 139 Cb 0.51 -1.94 0.00 0.00 -0.06 0.00 0.00 31.44 29.95 2wdn n GLU 139 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wdn n ALA 140 N 0.00 0.00 -1.47 4.31 0.00 -1.26 -5.30 120.51 116.79 2wdn n ALA 140 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2wdn n ALA 140 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2wdn n ALA 140 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54