#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgg n SER 2 N 0.00 -6.72 -4.68 1.61 7.64 -1.26 -4.84 113.62 105.38 1wgg n SER 2 Ca 0.00 0.89 -0.49 0.00 1.01 0.00 0.00 58.87 60.29 1wgg n SER 2 Cb 0.00 -4.43 -0.05 0.00 -1.01 0.00 0.00 64.21 58.72 1wgg n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgg n SER 3 N 0.25 3.16 0.00 6.43 7.64 -1.26 -4.94 113.62 124.91 1wgg n SER 3 Ca 0.03 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1wgg n SER 3 Cb 0.12 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 61.96 1wgg n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgg n GLY 4 N 3.99 0.36 2.87 0.23 0.00 -1.26 -5.03 105.19 106.35 1wgg n GLY 4 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 1wgg n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgg n SER 5 N 0.00 -7.93 0.03 1.61 7.64 -1.26 -4.91 113.62 108.80 1wgg n SER 5 Ca 0.00 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1wgg n SER 5 Cb 0.00 -5.35 0.00 0.00 -1.01 0.00 0.00 64.21 57.85 1wgg n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgg n SER 6 N -0.36 -0.52 -3.93 6.43 7.64 -1.26 -5.09 113.62 116.52 1wgg n SER 6 Ca 0.11 0.30 -0.56 0.00 1.01 0.00 0.00 58.87 59.73 1wgg n SER 6 Cb 0.47 0.73 -0.09 0.00 -1.01 0.00 0.00 64.21 64.30 1wgg n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgg n GLY 7 N -1.12 0.04 3.97 0.23 0.00 -1.26 -4.64 105.19 102.41 1wgg n GLY 7 Ca 0.00 0.92 -0.21 0.00 0.00 0.00 0.00 46.02 46.72 1wgg n GLY 7 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wgg s TYR 8 N 3.72 3.06 -0.21 1.61 1.51 0.96 -4.89 117.35 123.11 1wgg s TYR 8 Ca 0.97 0.04 -0.00 0.00 -1.01 0.00 0.00 57.07 57.06 1wgg s TYR 8 Cb -1.30 -2.40 0.02 0.00 -0.11 0.00 0.00 41.96 38.18 1wgg s TYR 8 CO 0.65 -0.46 -0.13 -1.12 -1.11 0.00 0.00 175.55 173.38 1wgg s SER 9 N -4.28 3.76 0.37 2.29 0.01 -1.26 -1.99 113.70 112.59 1wgg s SER 9 Ca 0.51 -0.76 0.03 0.00 1.31 0.00 0.00 55.95 57.04 1wgg s SER 9 Cb -0.10 -1.57 -0.04 0.00 0.21 0.00 0.00 66.02 64.52 1wgg s SER 9 CO 0.37 -0.06 0.09 0.68 0.41 0.00 0.00 173.24 174.73 1wgg s VAL 10 N 1.30 0.87 -0.09 3.43 -7.23 -1.22 0.52 120.40 117.98 1wgg s VAL 10 Ca 0.02 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.23 1wgg s VAL 10 Cb -0.15 -2.56 -0.01 0.00 0.56 0.00 0.00 36.38 34.22 1wgg s VAL 10 CO -0.08 0.00 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.62 1wgg s THR 11 N -3.27 2.49 -0.22 5.32 2.01 -1.01 -3.11 115.64 117.85 1wgg s THR 11 Ca 0.30 -0.89 -0.13 0.00 0.31 0.00 0.00 61.69 61.28 1wgg s THR 11 Cb 0.06 -1.97 -0.05 0.00 0.01 0.00 0.00 72.50 70.55 1wgg s THR 11 CO 0.14 0.56 0.26 -0.69 -0.69 0.00 0.00 174.62 174.20 1wgg s VAL 12 N 0.03 5.30 -0.27 3.82 1.01 -0.79 0.20 120.40 129.70 1wgg s VAL 12 Ca -0.07 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1wgg s VAL 12 Cb -0.15 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.69 1wgg s VAL 12 CO 0.05 0.31 -0.07 -0.75 0.00 0.00 0.00 175.10 174.64 1wgg s LYS 13 N 1.12 2.47 -0.35 2.72 2.20 0.02 -1.80 119.74 126.12 1wgg s LYS 13 Ca 0.12 -1.21 0.02 0.00 -0.36 0.00 0.00 55.97 54.54 1wgg s LYS 13 Cb -0.14 -2.99 0.10 0.00 -1.51 0.00 0.00 37.83 33.30 1wgg s LYS 13 CO 0.06 -0.53 0.10 -0.46 -0.36 0.00 0.00 175.35 174.15 1wgg s TRP 14 N 1.21 2.87 0.00 4.03 -0.00 -0.63 -1.56 118.94 124.86 1wgg s TRP 14 Ca -0.05 -2.53 0.00 0.00 -0.00 0.00 0.00 56.10 53.52 1wgg s TRP 14 Cb -0.19 -2.42 0.00 0.00 -0.00 0.00 0.00 33.47 30.86 1wgg s TRP 14 CO -0.04 -0.90 0.00 0.41 -0.00 0.00 0.00 176.95 176.42 1wgg n GLY 15 N 4.33 2.15 0.29 5.86 0.00 -1.26 0.19 105.19 116.75 1wgg n GLY 15 Ca 0.02 0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.13 1wgg n GLY 15 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1wgg h LYS 16 N 0.00 0.44 -6.91 1.61 -0.00 -2.00 -3.42 116.57 106.30 1wgg h LYS 16 Ca 0.00 -0.04 -0.51 0.00 -0.00 0.00 0.00 60.65 60.09 1wgg h LYS 16 Cb 0.00 -0.09 0.06 0.00 -0.00 0.00 0.00 32.23 32.19 1wgg h LYS 16 CO 0.00 0.34 0.55 -1.21 -0.00 0.00 0.00 179.45 179.14 1wgg s GLU 17 N -5.30 4.21 -0.06 0.07 0.41 0.50 -5.00 118.70 113.53 1wgg s GLU 17 Ca -0.07 1.99 -0.03 0.00 -0.41 0.00 0.00 54.97 56.44 1wgg s GLU 17 Cb 0.17 -2.87 0.04 0.00 -1.78 0.00 0.00 34.13 29.68 1wgg s GLU 17 CO 0.73 -0.23 0.14 0.21 -0.49 0.00 0.00 175.26 175.62 1wgg s LYS 18 N -2.02 0.10 -0.21 1.61 2.20 -1.26 -1.60 119.74 118.56 1wgg s LYS 18 Ca 0.53 0.35 -0.01 0.00 -0.36 0.00 0.00 55.97 56.48 1wgg s LYS 18 Cb -0.35 -0.14 0.06 0.00 -1.51 0.00 0.00 37.83 35.89 1wgg s LYS 18 CO 0.45 -0.15 -0.02 -0.06 -0.36 0.00 0.00 175.35 175.21 1wgg s PHE 19 N 1.02 1.72 -0.17 4.03 0.40 -0.75 -5.00 117.98 119.23 1wgg s PHE 19 Ca -0.08 -1.27 -0.06 0.00 -0.60 0.00 0.00 56.93 54.92 1wgg s PHE 19 Cb -0.10 -1.31 -0.03 0.00 0.51 0.00 0.00 43.02 42.09 1wgg s PHE 19 CO -0.05 -0.68 0.02 -1.21 0.70 0.00 0.00 175.22 174.00 1wgg s GLU 20 N 1.62 3.82 0.00 0.44 2.02 -1.26 -1.89 118.70 123.45 1wgg s GLU 20 Ca -0.03 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.55 1wgg s GLU 20 Cb -0.18 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 30.98 1wgg s GLU 20 CO -0.07 0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.90 1wgg n GLY 21 N 3.47 0.69 3.79 -1.39 0.00 -1.26 -5.06 105.19 105.42 1wgg n GLY 21 Ca -0.17 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 1wgg n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wgg s VAL 22 N -2.01 5.32 -0.00 1.61 1.01 -1.18 -5.05 120.40 120.09 1wgg s VAL 22 Ca 0.00 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.85 1wgg s VAL 22 Cb 0.00 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1wgg s VAL 22 CO 0.00 0.54 0.88 -1.83 0.00 0.00 0.00 175.10 174.69 1wgg s GLU 23 N -0.36 4.53 0.05 2.72 -1.05 -1.26 -3.45 118.70 119.89 1wgg s GLU 23 Ca 0.11 1.24 0.03 0.00 -0.15 0.00 0.00 54.97 56.21 1wgg s GLU 23 Cb -0.12 -3.44 -0.03 0.00 -0.44 0.00 0.00 34.13 30.11 1wgg s GLU 23 CO 0.01 0.04 -0.10 -1.17 0.95 0.00 0.00 175.26 174.99 1wgg s LEU 24 N 0.75 2.27 0.05 1.83 2.96 -0.84 -5.00 118.68 120.70 1wgg s LEU 24 Ca 0.46 -0.58 0.05 0.00 -0.22 0.00 0.00 54.13 53.85 1wgg s LEU 24 Cb -0.20 -0.29 -0.02 0.00 0.50 0.00 0.00 46.19 46.18 1wgg s LEU 24 CO 0.25 -0.16 -0.14 0.54 -1.32 0.00 0.00 176.35 175.52 1wgg s ASN 25 N -1.65 1.67 -0.05 3.68 4.22 -1.26 -0.03 114.94 121.52 1wgg s ASN 25 Ca -0.07 -0.53 0.07 0.00 -2.14 0.00 0.00 52.86 50.20 1wgg s ASN 25 Cb -0.10 -0.08 -0.11 0.00 1.28 0.00 0.00 41.25 42.24 1wgg s ASN 25 CO 0.01 -0.01 0.09 0.35 -2.04 0.00 0.00 177.10 175.49 1wgg n THR 26 N 1.63 0.31 0.26 0.54 -2.24 -1.26 -4.48 114.28 109.03 1wgg n THR 26 Ca -0.19 -0.27 0.17 0.00 -2.27 0.00 0.00 64.05 61.49 1wgg n THR 26 Cb 0.54 -0.35 0.91 0.00 -2.10 0.00 0.00 70.33 69.33 1wgg n THR 26 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1wgg h ASP 27 N 0.00 0.00 -5.76 3.42 3.32 -1.96 -3.42 116.42 112.02 1wgg h ASP 27 Ca -0.12 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.50 1wgg h ASP 27 Cb 1.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1wgg h ASP 27 CO 0.01 0.00 -0.14 -0.62 -1.72 0.00 0.00 179.24 176.77 1wgg n GLU 28 N -3.68 0.75 -1.56 3.56 -0.58 -1.26 -5.12 120.64 112.76 1wgg n GLU 28 Ca -0.01 -2.67 -0.30 0.00 -0.42 0.00 0.00 57.16 53.76 1wgg n GLU 28 Cb 0.22 0.05 0.09 0.00 -0.57 0.00 0.00 31.44 31.23 1wgg n GLU 28 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1wgg s PRO 29 N -3.99 2.15 0.00 3.49 0.04 -1.26 -4.71 135.00 130.72 1wgg s PRO 29 Ca 0.37 0.66 0.22 0.00 0.04 0.00 0.00 61.00 62.29 1wgg s PRO 29 Cb -0.03 -1.92 0.98 0.00 0.04 0.00 0.00 34.50 33.57 1wgg s PRO 29 CO 0.24 -1.58 1.71 -0.35 0.04 0.00 0.00 177.00 177.05 1wgg n PRO 30 N -3.41 0.07 0.10 0.56 -0.04 -1.26 -2.94 135.00 128.09 1wgg n PRO 30 Ca 0.07 0.11 -0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1wgg n PRO 30 Cb 0.56 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.82 1wgg n PRO 30 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1wgg h MET 31 N 0.00 0.24 0.80 0.54 2.86 -1.82 -2.74 114.93 114.81 1wgg h MET 31 Ca 0.00 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1wgg h MET 31 Cb 0.34 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.99 1wgg h MET 31 CO 0.00 0.51 -0.38 0.28 1.06 0.00 0.00 176.91 178.37 1wgg h VAL 32 N 0.22 0.00 -1.10 -2.22 2.07 -1.90 0.24 116.25 113.55 1wgg h VAL 32 Ca 0.03 -0.22 0.31 0.00 0.82 0.00 0.00 66.70 67.65 1wgg h VAL 32 Cb 0.61 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.27 1wgg h VAL 32 CO 0.04 0.00 0.70 0.15 0.02 0.00 0.00 177.57 178.48 1wgg h PHE 33 N -1.29 0.68 0.00 1.57 3.57 -1.72 1.58 116.94 121.33 1wgg h PHE 33 Ca -0.11 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.24 1wgg h PHE 33 Cb 0.82 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 1wgg h PHE 33 CO -0.00 -0.03 -0.84 0.87 -2.23 0.00 0.00 178.31 176.08 1wgg h LYS 34 N 0.32 0.01 0.00 1.11 1.57 -1.28 -2.01 116.57 116.30 1wgg h LYS 34 Ca 0.67 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 59.34 1wgg h LYS 34 Cb 1.77 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.07 1wgg h LYS 34 CO -0.37 0.85 -0.45 0.00 -0.57 0.00 0.00 179.45 178.91 1wgg h ALA 35 N 1.15 1.21 0.04 3.86 0.00 0.56 -1.96 119.26 124.13 1wgg h ALA 35 Ca -0.01 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 1wgg h ALA 35 Cb 1.49 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.21 1wgg h ALA 35 CO 0.11 0.56 -0.35 0.37 0.00 0.00 0.00 179.25 179.94 1wgg h GLN 36 N 0.00 0.16 -0.53 0.00 4.15 -0.50 -3.25 115.11 115.14 1wgg h GLN 36 Ca -0.00 -0.23 0.10 0.00 0.77 0.00 0.00 58.65 59.29 1wgg h GLN 36 Cb 0.82 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.55 1wgg h GLN 36 CO 0.06 1.05 0.36 -0.07 -1.93 0.00 0.00 178.83 178.30 1wgg h LEU 37 N -0.62 0.26 -1.74 -2.39 3.38 -1.29 0.17 115.31 113.07 1wgg h LEU 37 Ca -0.06 0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1wgg h LEU 37 Cb 1.21 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1wgg h LEU 37 CO 0.07 0.15 0.28 0.15 0.09 0.00 0.00 178.44 179.18 1wgg h PHE 38 N 0.29 0.32 0.00 1.13 3.57 -1.39 0.37 116.94 121.23 1wgg h PHE 38 Ca 0.25 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1wgg h PHE 38 Cb 0.59 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1wgg h PHE 38 CO -0.00 0.17 -0.63 0.00 -2.23 0.00 0.00 178.31 175.62 1wgg n ALA 39 N -2.53 3.74 0.01 2.41 0.00 0.51 -0.77 120.51 123.89 1wgg n ALA 39 Ca 0.05 -0.40 -0.21 0.00 0.00 0.00 0.00 53.44 52.89 1wgg n ALA 39 Cb 0.26 -1.05 -0.14 0.00 0.00 0.00 0.00 19.45 18.52 1wgg n ALA 39 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wgg h LEU 40 N 0.00 0.39 0.00 0.00 3.38 0.48 -3.43 115.31 116.14 1wgg h LEU 40 Ca 0.00 -0.87 -0.16 0.00 0.09 0.00 0.00 57.88 56.94 1wgg h LEU 40 Cb 0.52 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1wgg h LEU 40 CO 0.00 1.55 -1.37 0.35 0.09 0.00 0.00 178.44 179.07 1wgg n THR 41 N -3.99 1.13 0.00 0.22 -2.24 0.95 -5.04 114.28 105.31 1wgg n THR 41 Ca -0.22 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1wgg n THR 41 Cb 0.87 -1.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.23 1wgg n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wgg n GLY 42 N 2.07 0.25 3.79 3.38 0.00 0.05 -4.96 105.19 109.77 1wgg n GLY 42 Ca -0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 1wgg n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wgg s VAL 43 N -1.07 4.55 0.81 1.61 1.01 -1.24 -4.53 120.40 121.54 1wgg s VAL 43 Ca 0.00 1.49 -0.15 0.00 0.00 0.00 0.00 61.98 63.32 1wgg s VAL 43 Cb 0.00 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1wgg s VAL 43 CO 0.00 0.53 0.57 0.00 0.00 0.00 0.00 175.10 176.20 1wgg n GLN 44 N 1.73 0.10 0.00 2.72 1.13 -1.26 -3.87 117.38 117.93 1wgg n GLN 44 Ca -0.07 0.08 0.11 0.00 -1.94 0.00 0.00 57.00 55.18 1wgg n GLN 44 Cb 0.50 -1.91 0.67 0.00 0.11 0.00 0.00 30.24 29.61 1wgg n GLN 44 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1wgg n PRO 45 N -1.35 0.75 -0.12 -1.09 -0.04 -1.26 -1.03 135.00 130.86 1wgg n PRO 45 Ca 0.09 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.29 1wgg n PRO 45 Cb 0.51 -1.47 -0.09 0.00 -0.04 0.00 0.00 33.50 32.41 1wgg n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wgg n ALA 46 N -0.97 1.40 0.15 0.55 0.00 -1.26 -4.50 120.51 115.87 1wgg n ALA 46 Ca 0.17 -0.97 -0.00 0.00 0.00 0.00 0.00 53.44 52.64 1wgg n ALA 46 Cb 0.08 0.18 0.23 0.00 0.00 0.00 0.00 19.45 19.93 1wgg n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgg h ARG 47 N -0.88 0.01 -5.48 0.00 -0.00 -1.91 -3.42 114.38 102.71 1wgg h ARG 47 Ca -0.61 -0.01 -0.36 0.00 -0.50 0.00 0.00 59.98 58.50 1wgg h ARG 47 Cb 1.53 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.49 1wgg h ARG 47 CO -0.37 0.55 1.31 1.04 0.00 0.00 0.00 179.97 182.50 1wgg n GLN 48 N -3.90 0.81 -2.37 0.04 6.02 -0.20 -4.70 117.38 113.08 1wgg n GLN 48 Ca -0.01 -0.19 -0.38 0.00 -0.01 0.00 0.00 57.00 56.41 1wgg n GLN 48 Cb 0.55 -3.26 -0.03 0.00 1.02 0.00 0.00 30.24 28.51 1wgg n GLN 48 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1wgg s LYS 49 N 8.46 3.11 -0.57 -1.09 2.20 -0.55 -4.90 119.74 126.41 1wgg s LYS 49 Ca 1.01 -0.41 -0.21 0.00 -0.36 0.00 0.00 55.97 56.01 1wgg s LYS 49 Cb -0.28 -4.78 0.07 0.00 -1.51 0.00 0.00 37.83 31.33 1wgg s LYS 49 CO 0.25 -2.50 0.76 0.08 -0.36 0.00 0.00 175.35 173.59 1wgg s VAL 50 N 6.86 4.67 0.89 4.02 1.01 -1.26 -1.95 120.40 134.64 1wgg s VAL 50 Ca 0.51 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.88 1wgg s VAL 50 Cb -0.06 -4.47 0.13 0.00 0.00 0.00 0.00 36.38 31.98 1wgg s VAL 50 CO 0.04 -1.07 1.17 -0.04 0.00 0.00 0.00 175.10 175.20 1wgg s MET 51 N 3.14 1.34 0.09 2.72 -1.94 -0.48 -1.95 119.30 122.22 1wgg s MET 51 Ca 0.18 0.15 0.02 0.00 -1.71 0.00 0.00 55.69 54.33 1wgg s MET 51 Cb -0.19 -1.88 -0.04 0.00 2.01 0.00 0.00 34.83 34.74 1wgg s MET 51 CO 0.11 -2.03 -0.08 0.08 -0.01 0.00 0.00 175.02 173.09 1wgg s VAL 52 N -3.44 0.73 0.21 -6.03 1.01 0.52 -4.31 120.40 109.08 1wgg s VAL 52 Ca 0.64 -1.67 0.08 0.00 0.00 0.00 0.00 61.98 61.04 1wgg s VAL 52 Cb -0.12 -1.36 0.23 0.00 0.00 0.00 0.00 36.38 35.13 1wgg s VAL 52 CO 0.52 -0.68 0.96 0.29 0.00 0.00 0.00 175.10 176.18 1wgg n LYS 53 N 0.44 -0.04 -2.70 2.72 4.76 -1.26 -2.08 118.16 120.00 1wgg n LYS 53 Ca -0.15 0.87 -0.04 0.00 -2.87 0.00 0.00 58.31 56.11 1wgg n LYS 53 Cb 0.59 -1.49 0.11 0.00 -1.84 0.00 0.00 35.03 32.40 1wgg n LYS 53 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wgg n GLY 54 N -1.21 1.69 0.00 0.72 0.00 -1.26 -5.13 105.19 99.99 1wgg n GLY 54 Ca 0.20 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1wgg n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wgg n GLY 55 N -0.97 0.63 3.18 -0.02 0.00 -0.88 -5.16 105.19 101.96 1wgg n GLY 55 Ca -0.08 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 1wgg n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wgg s THR 56 N -2.09 1.45 -0.12 2.61 2.01 -1.26 0.19 115.64 118.42 1wgg s THR 56 Ca 0.00 -0.81 -0.29 0.00 0.31 0.00 0.00 61.69 60.90 1wgg s THR 56 Cb 0.00 -1.21 -0.05 0.00 0.01 0.00 0.00 72.50 71.25 1wgg s THR 56 CO 0.00 0.39 1.75 -0.76 -0.69 0.00 0.00 174.62 175.30 1wgg s LEU 57 N -0.49 4.08 0.00 4.42 1.43 -0.82 -4.91 118.68 122.38 1wgg s LEU 57 Ca 0.07 2.03 -0.04 0.00 -1.03 0.00 0.00 54.13 55.15 1wgg s LEU 57 Cb -0.07 -3.53 0.07 0.00 0.03 0.00 0.00 46.19 42.69 1wgg s LEU 57 CO -0.01 -1.18 0.15 0.29 0.23 0.00 0.00 176.35 175.83 1wgg n LYS 58 N 7.57 -2.36 0.00 1.70 5.02 -1.26 -4.91 118.16 123.92 1wgg n LYS 58 Ca 0.20 -0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1wgg n LYS 58 Cb 0.44 -0.34 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 1wgg n LYS 58 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1wgg n ASP 59 N -3.36 0.64 0.14 4.39 8.00 -1.26 -4.60 116.55 120.49 1wgg n ASP 59 Ca 0.02 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.39 1wgg n ASP 59 Cb 0.11 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.12 1wgg n ASP 59 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1wgg h ASP 60 N 0.00 -0.30 -5.02 -2.24 5.19 -1.98 -3.32 116.42 108.76 1wgg h ASP 60 Ca 0.00 -0.15 -0.03 0.00 -0.62 0.00 0.00 57.03 56.23 1wgg h ASP 60 Cb 0.62 0.08 -0.12 0.00 0.18 0.00 0.00 39.33 40.09 1wgg h ASP 60 CO 0.00 -0.01 0.15 -1.81 -3.12 0.00 0.00 179.24 174.46 1wgg s ASP 61 N -5.08 -0.50 -0.01 6.45 1.11 -1.26 -4.64 116.67 112.73 1wgg s ASP 61 Ca -0.15 -0.07 -0.26 0.00 0.18 0.00 0.00 52.55 52.26 1wgg s ASP 61 Cb 0.03 0.58 -0.20 0.00 1.07 0.00 0.00 42.92 44.40 1wgg s ASP 61 CO 0.59 -0.95 1.31 -0.50 1.18 0.00 0.00 175.17 176.80 1wgg h TRP 62 N 2.07 -0.02 0.00 4.23 4.06 -1.90 -3.41 115.95 120.99 1wgg h TRP 62 Ca -0.34 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.61 1wgg h TRP 62 Cb 1.30 0.01 0.00 0.00 -1.00 0.00 0.00 29.16 29.46 1wgg h TRP 62 CO 0.25 0.42 0.00 0.41 -3.56 0.00 0.00 178.44 175.96 1wgg n GLY 63 N 0.09 1.09 2.18 1.49 0.00 -1.26 -4.10 105.19 104.68 1wgg n GLY 63 Ca -0.08 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.81 1wgg n GLY 63 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wgg n ASN 64 N 1.72 4.45 -4.76 1.61 5.15 -1.26 -5.06 115.26 117.11 1wgg n ASN 64 Ca 0.00 -3.53 -0.40 0.00 -0.60 0.00 0.00 54.58 50.06 1wgg n ASN 64 Cb 0.00 -0.37 -0.03 0.00 -0.53 0.00 0.00 39.78 38.84 1wgg n ASN 64 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1wgg s ILE 65 N -4.59 3.29 -1.19 -1.44 1.01 -1.26 -4.95 121.20 112.07 1wgg s ILE 65 Ca 0.47 1.22 -0.11 0.00 0.00 0.00 0.00 60.65 62.24 1wgg s ILE 65 Cb 0.40 -3.75 0.21 0.00 0.01 0.00 0.00 42.46 39.33 1wgg s ILE 65 CO 0.00 0.23 1.44 0.29 0.00 0.00 0.00 174.94 176.91 1wgg n LYS 66 N 0.76 3.54 -2.07 2.79 4.01 -1.26 -5.00 118.16 120.93 1wgg n LYS 66 Ca 0.01 -4.00 -0.31 0.00 -0.51 0.00 0.00 58.31 53.50 1wgg n LYS 66 Cb 0.45 -2.86 0.00 0.00 -0.51 0.00 0.00 35.03 32.11 1wgg n LYS 66 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1wgg s MET 67 N 0.34 3.66 0.35 1.97 -1.94 -1.26 -5.08 119.30 117.33 1wgg s MET 67 Ca 0.39 0.71 -0.12 0.00 -1.71 0.00 0.00 55.69 54.95 1wgg s MET 67 Cb -0.02 -2.13 0.03 0.00 2.01 0.00 0.00 34.83 34.72 1wgg s MET 67 CO -0.01 -0.46 0.66 -1.59 -0.01 0.00 0.00 175.02 173.61 1wgg s LYS 68 N -4.91 2.02 -0.30 2.03 0.00 -1.26 -5.14 119.74 112.18 1wgg s LYS 68 Ca 0.55 -1.45 -0.07 0.00 0.00 0.00 0.00 55.97 55.00 1wgg s LYS 68 Cb -0.11 0.56 0.01 0.00 0.00 0.00 0.00 37.83 38.29 1wgg s LYS 68 CO 0.49 -0.91 0.08 0.54 0.00 0.00 0.00 175.35 175.55 1wgg s ASN 69 N -3.09 5.13 0.00 0.03 2.20 -1.26 -4.35 114.94 113.60 1wgg s ASN 69 Ca 0.20 -0.75 0.00 0.00 -0.94 0.00 0.00 52.86 51.37 1wgg s ASN 69 Cb -0.03 -1.88 0.00 0.00 -2.00 0.00 0.00 41.25 37.34 1wgg s ASN 69 CO 0.13 -0.20 0.00 0.61 -2.94 0.00 0.00 177.10 174.70 1wgg n GLY 70 N 4.86 1.95 3.27 0.45 0.00 0.18 -4.90 105.19 111.01 1wgg n GLY 70 Ca -0.14 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 1wgg n GLY 70 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wgg n MET 71 N 0.00 -1.70 -4.92 1.61 0.00 -1.26 -4.70 117.12 106.15 1wgg n MET 71 Ca 0.00 -0.48 -0.33 0.00 0.00 0.00 0.00 57.70 56.89 1wgg n MET 71 Cb 0.00 -1.71 -0.13 0.00 0.00 0.00 0.00 33.22 31.38 1wgg n MET 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1wgg s THR 72 N -2.23 2.98 -0.27 3.17 2.01 -1.26 -2.41 115.64 117.62 1wgg s THR 72 Ca 0.56 -0.76 -0.07 0.00 0.31 0.00 0.00 61.69 61.73 1wgg s THR 72 Cb -0.12 -2.16 -0.00 0.00 0.01 0.00 0.00 72.50 70.23 1wgg s THR 72 CO 0.66 0.59 0.06 -0.69 -0.69 0.00 0.00 174.62 174.55 1wgg s VAL 73 N -0.73 4.02 -0.20 3.82 1.01 0.55 -4.74 120.40 124.12 1wgg s VAL 73 Ca 0.11 -0.50 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 1wgg s VAL 73 Cb -0.11 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 1wgg s VAL 73 CO 0.00 0.20 0.58 -0.22 0.00 0.00 0.00 175.10 175.66 1wgg s LEU 74 N 1.54 4.14 -0.17 3.92 1.98 -1.26 -0.80 118.68 128.03 1wgg s LEU 74 Ca 0.04 0.75 -0.01 0.00 -2.89 0.00 0.00 54.13 52.03 1wgg s LEU 74 Cb -0.16 -2.81 -0.00 0.00 0.66 0.00 0.00 46.19 43.88 1wgg s LEU 74 CO 0.02 -0.24 -0.13 -0.32 -1.89 0.00 0.00 176.35 173.79 1wgg s MET 75 N 1.83 3.24 -0.11 1.98 -2.45 -0.60 -1.38 119.30 121.81 1wgg s MET 75 Ca 0.26 -0.72 0.02 0.00 -1.25 0.00 0.00 55.69 54.00 1wgg s MET 75 Cb -0.16 -2.71 0.01 0.00 1.25 0.00 0.00 34.83 33.23 1wgg s MET 75 CO 0.10 -0.04 -0.16 -1.64 1.05 0.00 0.00 175.02 174.33 1wgg s MET 76 N 0.98 2.31 0.00 4.11 -1.94 -0.82 -4.47 119.30 119.47 1wgg s MET 76 Ca -0.02 -0.59 0.00 0.00 -1.71 0.00 0.00 55.69 53.37 1wgg s MET 76 Cb -0.15 -1.96 0.00 0.00 2.01 0.00 0.00 34.83 34.73 1wgg s MET 76 CO -0.02 -0.07 0.00 0.41 -0.01 0.00 0.00 175.02 175.33 1wgg n GLY 77 N 4.21 2.46 2.79 -0.03 0.00 -1.26 -1.48 105.19 111.88 1wgg n GLY 77 Ca -0.19 -1.28 -0.17 0.00 0.00 0.00 0.00 46.02 44.38 1wgg n GLY 77 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgg s SER 78 N 0.00 0.36 0.00 1.61 1.04 -1.26 -4.99 113.70 110.45 1wgg s SER 78 Ca 0.00 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1wgg s SER 78 Cb 0.00 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1wgg s SER 78 CO 0.00 -0.13 0.00 0.00 0.98 0.00 0.00 173.24 174.09 1wgg n ALA 79 N 4.27 0.00 -3.49 5.32 0.00 -1.26 -4.70 120.51 120.65 1wgg n ALA 79 Ca -0.25 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 52.92 1wgg n ALA 79 Cb 0.50 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.82 1wgg n ALA 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wgg s ASP 80 N -2.67 2.99 0.44 0.00 1.01 -1.26 -4.90 116.67 112.28 1wgg s ASP 80 Ca 0.00 -1.54 0.00 0.00 0.71 0.00 0.00 52.55 51.72 1wgg s ASP 80 Cb 0.00 -0.21 0.00 0.00 1.01 0.00 0.00 42.92 43.72 1wgg s ASP 80 CO 0.00 -0.38 0.00 0.00 0.21 0.00 0.00 175.17 175.00 1wgg n ALA 81 N 4.81 -3.56 -1.40 5.23 0.00 -1.26 -4.54 120.51 119.79 1wgg n ALA 81 Ca 0.01 0.63 -0.55 0.00 0.00 0.00 0.00 53.44 53.53 1wgg n ALA 81 Cb 0.41 -1.35 -0.09 0.00 0.00 0.00 0.00 19.45 18.42 1wgg n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wgg n LEU 82 N -4.20 1.59 0.00 0.00 4.77 -1.26 -4.90 117.00 113.00 1wgg n LEU 82 Ca -0.03 0.60 -0.15 0.00 -0.03 0.00 0.00 56.01 56.40 1wgg n LEU 82 Cb 0.63 -1.10 0.11 0.00 -2.33 0.00 0.00 43.42 40.74 1wgg n LEU 82 CO 0.03 -0.72 0.37 -0.81 -1.33 0.00 0.00 177.39 174.93 1wgg n PRO 83 N 7.54 -1.36 -3.84 3.23 -0.04 -1.26 -5.04 135.00 134.23 1wgg n PRO 83 Ca 0.45 -0.95 -0.29 0.00 -0.04 0.00 0.00 63.50 62.67 1wgg n PRO 83 Cb 0.11 -0.75 -0.13 0.00 -0.04 0.00 0.00 33.50 32.69 1wgg n PRO 83 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1wgg s GLU 84 N -4.35 1.89 0.02 0.54 -6.30 -1.26 -5.09 118.70 104.14 1wgg s GLU 84 Ca 0.37 -2.67 -0.17 0.00 -2.50 0.00 0.00 54.97 50.00 1wgg s GLU 84 Cb -0.02 -2.98 -0.06 0.00 0.00 0.00 0.00 34.13 31.06 1wgg s GLU 84 CO 0.27 -1.20 0.47 -1.83 0.02 0.00 0.00 175.26 173.00 1wgg s GLU 85 N -0.47 4.05 -0.06 4.30 -1.05 -1.26 -5.02 118.70 119.19 1wgg s GLU 85 Ca 0.21 0.54 -0.11 0.00 -0.15 0.00 0.00 54.97 55.45 1wgg s GLU 85 Cb -0.17 -3.24 -0.07 0.00 -0.44 0.00 0.00 34.13 30.21 1wgg s GLU 85 CO -0.06 0.63 0.46 -1.00 0.95 0.00 0.00 175.26 176.24 1wgg h PRO 86 N 4.79 -0.30 -2.75 -4.83 0.13 -2.05 -3.49 132.00 123.49 1wgg h PRO 86 Ca -0.50 0.02 0.08 0.00 -0.87 0.00 0.00 66.00 64.73 1wgg h PRO 86 Cb 1.21 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1wgg h PRO 86 CO 0.63 -0.13 0.46 -1.12 -0.23 0.00 0.00 178.00 177.62 1wgg s SER 87 N -5.23 0.03 -0.41 1.44 0.01 -1.26 -5.10 113.70 103.17 1wgg s SER 87 Ca -0.06 -0.91 0.05 0.00 1.31 0.00 0.00 55.95 56.33 1wgg s SER 87 Cb 0.00 0.66 0.32 0.00 0.21 0.00 0.00 66.02 67.21 1wgg s SER 87 CO 0.20 -1.31 1.21 0.00 0.41 0.00 0.00 173.24 173.75 1wgg n ALA 88 N -0.65 -1.75 -0.10 1.44 0.00 -1.26 -5.06 120.51 113.13 1wgg n ALA 88 Ca -0.05 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.34 1wgg n ALA 88 Cb 0.60 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1wgg n ALA 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1wgg n LYS 89 N 0.55 -0.27 -2.11 0.00 3.00 -1.26 -4.81 118.16 113.26 1wgg n LYS 89 Ca 0.02 0.20 -0.35 0.00 -0.00 0.00 0.00 58.31 58.18 1wgg n LYS 89 Cb 0.72 -0.22 0.02 0.00 0.00 0.00 0.00 35.03 35.54 1wgg n LYS 89 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1wgg s THR 90 N -1.36 2.95 0.60 3.15 2.01 -1.26 -4.78 115.64 116.95 1wgg s THR 90 Ca 0.00 0.58 0.00 0.00 0.31 0.00 0.00 61.69 62.58 1wgg s THR 90 Cb 0.00 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.30 1wgg s THR 90 CO 0.00 -0.14 0.00 -1.20 -0.69 0.00 0.00 174.62 172.59 1wgg n SER 91 N -1.53 -8.09 0.00 3.53 7.64 -1.26 -5.08 113.62 108.83 1wgg n SER 91 Ca 0.12 1.67 0.00 0.00 1.01 0.00 0.00 58.87 61.68 1wgg n SER 91 Cb 0.50 -4.98 0.00 0.00 -1.01 0.00 0.00 64.21 58.73 1wgg n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgg n GLY 92 N -3.40 2.00 0.00 0.23 0.00 -1.26 -5.00 105.19 97.76 1wgg n GLY 92 Ca -0.04 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 45.93 1wgg n GLY 92 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wgg n PRO 93 N 0.00 0.29 -2.50 1.61 -0.04 -1.26 -4.95 135.00 128.15 1wgg n PRO 93 Ca 0.00 0.08 -0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1wgg n PRO 93 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1wgg n PRO 93 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wgg n SER 94 N -1.30 -6.96 -4.64 3.54 7.64 -1.26 -5.05 113.62 105.59 1wgg n SER 94 Ca 0.10 1.17 -0.23 0.00 1.01 0.00 0.00 58.87 60.92 1wgg n SER 94 Cb 0.19 -4.57 -0.07 0.00 -1.01 0.00 0.00 64.21 58.74 1wgg n SER 94 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wgg s SER 95 N -1.36 4.50 0.00 6.43 1.04 -1.26 -5.13 113.70 117.92 1wgg s SER 95 Ca 0.01 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1wgg s SER 95 Cb -0.00 -0.82 0.00 0.00 0.10 0.00 0.00 66.02 65.30 1wgg s SER 95 CO 0.65 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.48