#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgg s SER 2 N 0.00 3.43 -0.29 1.61 0.15 -1.26 -5.07 113.70 112.27 1wgg s SER 2 Ca 0.00 -1.25 0.02 0.00 0.70 0.00 0.00 55.95 55.42 1wgg s SER 2 Cb 0.00 -0.31 0.20 0.00 -1.71 0.00 0.00 66.02 64.20 1wgg s SER 2 CO 0.00 -0.44 0.66 -0.44 1.20 0.00 0.00 173.24 174.22 1wgg s SER 3 N 2.11 -1.41 0.00 5.45 0.01 -1.26 -5.15 113.70 113.45 1wgg s SER 3 Ca 0.09 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.67 1wgg s SER 3 Cb -0.16 1.96 0.00 0.00 0.21 0.00 0.00 66.02 68.03 1wgg s SER 3 CO -0.36 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 173.64 1wgg n GLY 4 N 5.39 1.73 1.42 3.44 0.00 -1.26 -5.08 105.19 110.83 1wgg n GLY 4 Ca 0.04 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.11 0.16 1.61 7.64 -1.26 -4.91 113.62 114.75 1wgg n SER 5 Ca 0.00 0.58 0.13 0.00 1.01 0.00 0.00 58.87 60.59 1wgg n SER 5 Cb 0.00 2.17 0.50 0.00 -1.01 0.00 0.00 64.21 65.86 1wgg n SER 5 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1wgg h SER 6 N 0.00 0.00 -2.95 6.43 4.64 -1.98 -3.42 113.55 116.26 1wgg h SER 6 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1wgg h SER 6 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1wgg h SER 6 CO 0.00 0.00 1.08 -0.83 -0.87 0.00 0.00 176.83 176.21 1wgg s GLY 7 N -3.71 1.23 0.30 -0.77 0.00 -1.26 -3.36 107.32 99.74 1wgg s GLY 7 Ca 0.05 0.25 0.06 0.00 0.00 0.00 0.00 44.72 45.08 1wgg s GLY 7 CO 0.47 2.85 0.41 -0.19 0.00 0.00 0.00 173.10 176.64 1wgg s TYR 8 N 5.07 3.23 0.09 1.90 2.02 0.51 -4.93 117.35 125.25 1wgg s TYR 8 Ca 0.66 -0.14 0.10 0.00 -0.37 0.00 0.00 57.07 57.31 1wgg s TYR 8 Cb -0.20 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.52 1wgg s TYR 8 CO 0.28 0.19 -0.25 0.45 -1.57 0.00 0.00 175.55 174.65 1wgg s SER 9 N -4.08 3.37 0.38 2.29 0.15 -1.26 -1.22 113.70 113.33 1wgg s SER 9 Ca 0.40 -0.65 -0.09 0.00 0.70 0.00 0.00 55.95 56.31 1wgg s SER 9 Cb -0.09 -0.31 0.03 0.00 -1.71 0.00 0.00 66.02 63.94 1wgg s SER 9 CO 0.30 0.21 0.66 0.68 1.20 0.00 0.00 173.24 176.29 1wgg s VAL 10 N -0.97 0.00 -0.09 4.45 -7.23 -1.23 -2.60 120.40 112.73 1wgg s VAL 10 Ca 0.14 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 59.05 1wgg s VAL 10 Cb -0.10 -2.82 0.02 0.00 0.56 0.00 0.00 36.38 34.04 1wgg s VAL 10 CO 0.05 0.00 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.87 1wgg s THR 11 N -2.54 0.98 -0.15 5.32 2.01 -1.09 -3.02 115.64 117.14 1wgg s THR 11 Ca 0.22 -0.30 -0.21 0.00 0.31 0.00 0.00 61.69 61.71 1wgg s THR 11 Cb -0.03 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 1wgg s THR 11 CO 0.16 0.35 0.63 -0.69 -0.69 0.00 0.00 174.62 174.37 1wgg s VAL 12 N 1.40 5.05 -0.25 3.82 1.01 -0.36 0.21 120.40 131.28 1wgg s VAL 12 Ca -0.01 1.22 -0.02 0.00 0.00 0.00 0.00 61.98 63.17 1wgg s VAL 12 Cb -0.13 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.32 1wgg s VAL 12 CO -0.04 0.18 -0.05 -0.54 0.00 0.00 0.00 175.10 174.64 1wgg s LYS 13 N 1.44 2.87 -0.32 2.72 1.02 -0.21 -1.39 119.74 125.87 1wgg s LYS 13 Ca 0.31 -0.96 0.00 0.00 0.02 0.00 0.00 55.97 55.34 1wgg s LYS 13 Cb -0.16 -3.01 0.10 0.00 -0.52 0.00 0.00 37.83 34.24 1wgg s LYS 13 CO 0.12 -0.39 0.09 -0.46 -0.92 0.00 0.00 175.35 173.79 1wgg s TRP 14 N 1.34 2.09 0.00 3.18 -0.00 -0.62 -2.43 118.94 122.50 1wgg s TRP 14 Ca 0.01 -1.99 0.00 0.00 -0.00 0.00 0.00 56.10 54.12 1wgg s TRP 14 Cb -0.17 -1.94 0.00 0.00 -0.00 0.00 0.00 33.47 31.36 1wgg s TRP 14 CO -0.04 -0.89 0.00 0.41 -0.00 0.00 0.00 176.95 176.43 1wgg n GLY 15 N 4.71 2.06 0.33 5.86 0.00 -1.26 0.16 105.19 117.05 1wgg n GLY 15 Ca -0.01 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.06 1wgg n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1wgg h LYS 16 N 0.00 0.51 -6.71 1.61 3.64 -2.03 -3.41 116.57 110.18 1wgg h LYS 16 Ca 0.00 -0.03 -0.53 0.00 -1.27 0.00 0.00 60.65 58.82 1wgg h LYS 16 Cb 0.00 -0.12 0.05 0.00 -0.41 0.00 0.00 32.23 31.75 1wgg h LYS 16 CO 0.00 0.34 0.74 -1.21 -2.27 0.00 0.00 179.45 177.05 1wgg s GLU 17 N -5.48 4.29 -0.02 1.90 0.41 0.42 -5.02 118.70 115.20 1wgg s GLU 17 Ca -0.08 2.24 0.04 0.00 -0.41 0.00 0.00 54.97 56.76 1wgg s GLU 17 Cb 0.19 -3.14 -0.01 0.00 -1.78 0.00 0.00 34.13 29.39 1wgg s GLU 17 CO 0.74 -0.40 -0.13 0.21 -0.49 0.00 0.00 175.26 175.20 1wgg s LYS 18 N -0.16 1.14 -0.17 1.61 2.20 -1.26 -1.59 119.74 121.52 1wgg s LYS 18 Ca 0.60 -0.46 -0.04 0.00 -0.36 0.00 0.00 55.97 55.70 1wgg s LYS 18 Cb -0.41 -1.08 0.06 0.00 -1.51 0.00 0.00 37.83 34.89 1wgg s LYS 18 CO 0.41 0.25 0.06 -0.06 -0.36 0.00 0.00 175.35 175.66 1wgg s PHE 19 N -0.19 0.52 -0.14 4.03 0.08 -0.49 -5.01 117.98 116.79 1wgg s PHE 19 Ca 0.03 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 56.63 1wgg s PHE 19 Cb -0.06 -0.81 0.01 0.00 -0.57 0.00 0.00 43.02 41.59 1wgg s PHE 19 CO -0.00 -0.52 -0.19 -1.21 -0.10 0.00 0.00 175.22 173.20 1wgg s GLU 20 N 2.03 2.75 0.00 0.44 2.02 -1.26 -1.23 118.70 123.45 1wgg s GLU 20 Ca 0.01 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.25 1wgg s GLU 20 Cb -0.16 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.79 1wgg s GLU 20 CO -0.08 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.55 1wgg n GLY 21 N 4.21 0.64 3.83 -1.39 0.00 -1.25 -5.07 105.19 106.17 1wgg n GLY 21 Ca -0.20 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.42 5.11 -0.01 1.61 1.01 -1.17 -5.04 120.40 120.49 1wgg s VAL 22 Ca 0.00 -0.12 -0.26 0.00 0.00 0.00 0.00 61.98 61.60 1wgg s VAL 22 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1wgg s VAL 22 CO 0.00 0.46 0.81 -1.83 0.00 0.00 0.00 175.10 174.54 1wgg s GLU 23 N -1.45 4.50 -0.01 2.72 -1.05 -1.26 -3.56 118.70 118.59 1wgg s GLU 23 Ca 0.20 1.11 0.00 0.00 -0.15 0.00 0.00 54.97 56.13 1wgg s GLU 23 Cb -0.12 -3.42 0.01 0.00 -0.44 0.00 0.00 34.13 30.15 1wgg s GLU 23 CO 0.10 0.10 -0.01 -1.17 0.95 0.00 0.00 175.26 175.23 1wgg s LEU 24 N 0.58 1.78 0.01 1.83 2.96 -0.35 -4.89 118.68 120.60 1wgg s LEU 24 Ca 0.42 -0.03 0.04 0.00 -0.22 0.00 0.00 54.13 54.35 1wgg s LEU 24 Cb -0.20 -0.11 -0.02 0.00 0.50 0.00 0.00 46.19 46.36 1wgg s LEU 24 CO 0.23 -0.01 -0.13 0.21 -1.32 0.00 0.00 176.35 175.33 1wgg s ASN 25 N 0.23 1.53 -0.20 3.68 2.47 -1.26 0.19 114.94 121.59 1wgg s ASN 25 Ca -0.02 -0.33 0.13 0.00 0.42 0.00 0.00 52.86 53.06 1wgg s ASN 25 Cb -0.04 -0.13 -0.23 0.00 -1.45 0.00 0.00 41.25 39.40 1wgg s ASN 25 CO -0.01 0.09 0.06 0.35 -3.72 0.00 0.00 177.10 173.88 1wgg n THR 26 N 2.36 1.45 -0.01 -5.21 -2.24 -1.21 -4.20 114.28 105.22 1wgg n THR 26 Ca -0.16 -0.78 0.23 0.00 -2.27 0.00 0.00 64.05 61.07 1wgg n THR 26 Cb 0.55 -0.78 0.60 0.00 -2.10 0.00 0.00 70.33 68.61 1wgg n THR 26 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1wgg h ASP 27 N 0.00 0.00 -5.38 3.42 3.58 -1.96 -3.40 116.42 112.68 1wgg h ASP 27 Ca -0.53 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 56.45 1wgg h ASP 27 Cb 2.14 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 43.15 1wgg h ASP 27 CO 0.01 0.00 -0.23 -0.62 -2.88 0.00 0.00 179.24 175.52 1wgg n GLU 28 N -3.42 0.84 -1.54 0.28 -0.58 -1.26 -5.13 120.64 109.82 1wgg n GLU 28 Ca 0.13 -2.79 -0.29 0.00 -0.42 0.00 0.00 57.16 53.79 1wgg n GLU 28 Cb 0.98 0.31 0.14 0.00 -0.57 0.00 0.00 31.44 32.31 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 -3.82 1.00 0.22 3.49 0.04 -1.26 -4.88 135.00 129.79 1wgg s PRO 29 Ca 0.25 0.23 0.09 0.00 0.04 0.00 0.00 61.00 61.61 1wgg s PRO 29 Cb -0.02 -1.83 0.17 0.00 0.04 0.00 0.00 34.50 32.86 1wgg s PRO 29 CO 0.16 -2.28 1.50 -1.00 0.04 0.00 0.00 177.00 175.41 1wgg h PRO 30 N -1.56 0.00 -0.98 0.56 0.13 -1.82 -3.22 132.00 125.10 1wgg h PRO 30 Ca -0.50 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 64.92 1wgg h PRO 30 Cb 1.32 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.31 1wgg h PRO 30 CO 0.59 0.74 0.53 0.52 -0.23 0.00 0.00 178.00 180.15 1wgg h MET 31 N 0.00 0.37 0.32 0.86 2.86 -1.82 -0.34 114.93 117.17 1wgg h MET 31 Ca -0.01 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1wgg h MET 31 Cb 1.32 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.88 1wgg h MET 31 CO 0.10 0.24 -0.34 0.28 1.06 0.00 0.00 176.91 178.25 1wgg h VAL 32 N 0.38 0.00 -1.00 -2.22 2.07 -1.92 1.54 116.25 115.10 1wgg h VAL 32 Ca 0.68 0.00 0.28 0.00 0.82 0.00 0.00 66.70 68.48 1wgg h VAL 32 Cb 1.46 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1wgg h VAL 32 CO -0.58 0.00 0.71 0.15 0.02 0.00 0.00 177.57 177.87 1wgg h PHE 33 N -0.66 0.13 0.00 1.57 3.57 -1.30 1.51 116.94 121.76 1wgg h PHE 33 Ca -0.04 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.38 1wgg h PHE 33 Cb 0.58 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1wgg h PHE 33 CO -0.21 0.02 -0.61 0.87 -2.23 0.00 0.00 178.31 176.15 1wgg h LYS 34 N 0.08 0.00 0.00 1.11 1.57 0.05 -3.02 116.57 116.36 1wgg h LYS 34 Ca 0.49 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.20 1wgg h LYS 34 Cb 1.81 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.11 1wgg h LYS 34 CO -0.06 0.29 -0.36 0.00 -0.57 0.00 0.00 179.45 178.76 1wgg h ALA 35 N 1.66 1.35 0.05 3.86 0.00 1.35 -2.91 119.26 124.61 1wgg h ALA 35 Ca -0.03 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1wgg h ALA 35 Cb 1.29 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1wgg h ALA 35 CO 0.04 0.45 -0.27 0.37 0.00 0.00 0.00 179.25 179.83 1wgg h GLN 36 N 0.00 0.10 -0.92 0.00 4.15 -1.35 -3.24 115.11 113.86 1wgg h GLN 36 Ca -0.00 -0.17 0.27 0.00 0.77 0.00 0.00 58.65 59.51 1wgg h GLN 36 Cb 0.66 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.37 1wgg h GLN 36 CO 0.05 1.08 0.84 -0.07 -1.93 0.00 0.00 178.83 178.79 1wgg h LEU 37 N -0.78 0.00 -1.01 -2.39 3.38 -1.43 1.53 115.31 114.61 1wgg h LEU 37 Ca -0.05 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1wgg h LEU 37 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 1wgg h LEU 37 CO 0.05 0.00 -0.13 0.15 0.09 0.00 0.00 178.44 178.61 1wgg h PHE 38 N 0.00 0.61 -0.00 1.13 3.57 -1.54 0.21 116.94 120.92 1wgg h PHE 38 Ca 0.44 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.84 1wgg h PHE 38 Cb 2.10 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.68 1wgg h PHE 38 CO 0.00 0.67 -0.49 0.00 -2.23 0.00 0.00 178.31 176.26 1wgg n ALA 39 N -2.48 3.56 -0.09 2.41 0.00 0.50 -1.65 120.51 122.77 1wgg n ALA 39 Ca 0.01 -0.41 -0.20 0.00 0.00 0.00 0.00 53.44 52.84 1wgg n ALA 39 Cb 0.34 -1.07 -0.12 0.00 0.00 0.00 0.00 19.45 18.60 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 0.43 0.03 0.00 0.00 3.38 -0.24 -3.45 115.31 115.47 1wgg h LEU 40 Ca 0.00 -0.65 -0.03 0.00 0.09 0.00 0.00 57.88 57.29 1wgg h LEU 40 Cb 0.51 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1wgg h LEU 40 CO 0.00 1.40 -0.78 0.35 0.09 0.00 0.00 178.44 179.50 1wgg n THR 41 N -4.42 1.34 0.00 0.22 -2.24 0.67 -4.84 114.28 105.01 1wgg n THR 41 Ca -0.27 0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1wgg n THR 41 Cb 0.66 -2.02 0.00 0.00 -2.10 0.00 0.00 70.33 66.87 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 2.21 0.64 3.79 3.38 0.00 -0.66 -4.58 105.19 109.97 1wgg n GLY 42 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.37 4.12 0.74 1.61 1.01 -1.26 -4.83 120.40 121.43 1wgg s VAL 43 Ca 0.00 1.63 -0.13 0.00 0.00 0.00 0.00 61.98 63.47 1wgg s VAL 43 Cb 0.00 -3.84 0.05 0.00 0.00 0.00 0.00 36.38 32.59 1wgg s VAL 43 CO 0.00 0.01 1.15 -1.10 0.00 0.00 0.00 175.10 175.16 1wgg s GLN 44 N -2.40 2.20 0.00 2.72 -1.52 -1.26 -3.81 119.66 115.59 1wgg s GLN 44 Ca 0.55 1.51 0.23 0.00 -1.95 0.00 0.00 55.36 55.69 1wgg s GLN 44 Cb -0.18 -1.87 1.38 0.00 -0.22 0.00 0.00 33.01 32.13 1wgg s GLN 44 CO 0.23 -1.73 1.76 -0.35 -0.25 0.00 0.00 175.29 174.94 1wgg n PRO 45 N -2.99 0.75 -0.11 2.91 -0.04 -1.26 -0.26 135.00 134.00 1wgg n PRO 45 Ca 0.11 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.45 1wgg n PRO 45 Cb 0.52 -1.48 -0.15 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.98 1.49 -0.02 0.55 0.00 -1.26 -4.46 120.51 115.82 1wgg n ALA 46 Ca 0.17 -1.25 -0.12 0.00 0.00 0.00 0.00 53.44 52.25 1wgg n ALA 46 Cb 0.08 -0.15 -0.14 0.00 0.00 0.00 0.00 19.45 19.24 1wgg n ALA 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wgg n ARG 47 N -2.91 0.66 -1.55 0.00 1.74 -1.04 -4.78 116.66 108.78 1wgg n ARG 47 Ca -0.37 0.27 -0.27 0.00 -0.77 0.00 0.00 57.85 56.72 1wgg n ARG 47 Cb 1.10 -1.76 -0.05 0.00 -1.02 0.00 0.00 32.46 30.73 1wgg n ARG 47 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1wgg n GLN 48 N -3.12 0.81 -2.21 5.56 6.02 0.64 -4.61 117.38 120.47 1wgg n GLN 48 Ca -0.21 -0.36 -0.35 0.00 -0.01 0.00 0.00 57.00 56.07 1wgg n GLN 48 Cb 1.06 -3.50 -0.04 0.00 1.02 0.00 0.00 30.24 28.78 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 8.56 2.86 -0.55 -1.09 2.20 -0.07 -4.84 119.74 126.80 1wgg s LYS 49 Ca 0.97 -0.18 -0.24 0.00 -0.36 0.00 0.00 55.97 56.16 1wgg s LYS 49 Cb -0.18 -4.80 0.04 0.00 -1.51 0.00 0.00 37.83 31.39 1wgg s LYS 49 CO 0.19 -2.79 0.93 0.08 -0.36 0.00 0.00 175.35 173.40 1wgg s VAL 50 N 8.20 4.40 0.78 4.02 1.01 -1.26 -2.65 120.40 134.90 1wgg s VAL 50 Ca 0.60 0.23 -0.10 0.00 0.00 0.00 0.00 61.98 62.70 1wgg s VAL 50 Cb -0.07 -4.54 0.08 0.00 0.00 0.00 0.00 36.38 31.85 1wgg s VAL 50 CO 0.06 -1.12 1.12 -0.04 0.00 0.00 0.00 175.10 175.12 1wgg s MET 51 N 3.91 1.98 0.08 2.72 -1.94 -0.70 -1.38 119.30 123.97 1wgg s MET 51 Ca 0.30 -0.07 0.02 0.00 -1.71 0.00 0.00 55.69 54.23 1wgg s MET 51 Cb -0.13 -2.03 -0.04 0.00 2.01 0.00 0.00 34.83 34.64 1wgg s MET 51 CO 0.19 -1.50 -0.07 0.08 -0.01 0.00 0.00 175.02 173.70 1wgg s VAL 52 N -3.47 0.64 0.23 -6.03 1.01 0.54 -4.28 120.40 109.05 1wgg s VAL 52 Ca 0.62 -1.62 0.10 0.00 0.00 0.00 0.00 61.98 61.08 1wgg s VAL 52 Cb -0.10 -1.29 0.24 0.00 0.00 0.00 0.00 36.38 35.23 1wgg s VAL 52 CO 0.48 -0.69 1.04 0.29 0.00 0.00 0.00 175.10 176.21 1wgg n LYS 53 N 0.51 -0.04 -2.70 2.72 4.76 -1.26 -2.13 118.16 120.02 1wgg n LYS 53 Ca -0.16 0.93 -0.04 0.00 -2.87 0.00 0.00 58.31 56.17 1wgg n LYS 53 Cb 0.59 -1.62 0.11 0.00 -1.84 0.00 0.00 35.03 32.27 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 -1.22 1.75 1.48 0.72 0.00 -1.26 -5.13 105.19 101.53 1wgg n GLY 54 Ca 0.22 -0.31 0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.04 0.61 3.23 -0.02 0.00 -0.91 -5.14 105.19 101.92 1wgg n GLY 55 Ca -0.09 -0.93 -0.26 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.17 1.62 0.10 2.61 2.01 -1.26 0.20 115.64 118.76 1wgg s THR 56 Ca 0.11 -1.05 -0.31 0.00 0.31 0.00 0.00 61.69 60.75 1wgg s THR 56 Cb -0.00 -1.38 -0.09 0.00 0.01 0.00 0.00 72.50 71.03 1wgg s THR 56 CO 0.00 0.30 1.68 -0.22 -0.69 0.00 0.00 174.62 175.70 1wgg s LEU 57 N -0.88 4.37 0.00 4.42 0.20 -0.48 -4.92 118.68 121.40 1wgg s LEU 57 Ca 0.07 2.57 -0.00 0.00 0.69 0.00 0.00 54.13 57.46 1wgg s LEU 57 Cb -0.08 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.11 1wgg s LEU 57 CO 0.01 -0.90 0.02 0.29 -0.29 0.00 0.00 176.35 175.47 1wgg n LYS 58 N 5.32 -1.26 -0.05 1.98 4.76 -1.26 -4.90 118.16 122.75 1wgg n LYS 58 Ca 0.16 -0.02 -0.04 0.00 -2.87 0.00 0.00 58.31 55.53 1wgg n LYS 58 Cb 0.40 -0.02 -0.07 0.00 -1.84 0.00 0.00 35.03 33.49 1wgg n LYS 58 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1wgg n ASP 59 N -3.03 2.69 -2.81 4.39 5.68 -1.26 -4.63 116.55 117.58 1wgg n ASP 59 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.28 1wgg n ASP 59 Cb 0.01 0.75 0.01 0.00 -1.14 0.00 0.00 41.12 40.75 1wgg n ASP 59 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1wgg s ASP 60 N -4.13 -0.80 0.00 -1.12 1.01 -1.26 -3.76 116.67 106.61 1wgg s ASP 60 Ca -0.05 -0.72 0.00 0.00 0.71 0.00 0.00 52.55 52.49 1wgg s ASP 60 Cb 0.03 1.04 0.00 0.00 1.01 0.00 0.00 42.92 45.00 1wgg s ASP 60 CO 0.38 -0.05 0.00 0.47 0.21 0.00 0.00 175.17 176.18 1wgg n ASP 61 N 3.26 0.00 0.00 0.27 9.92 -1.26 -4.99 116.55 123.75 1wgg n ASP 61 Ca 0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 1wgg n ASP 61 Cb 0.61 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.09 1wgg n ASP 61 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 1wgg n TRP 62 N 0.00 0.00 0.00 1.24 7.02 -1.26 -4.80 117.44 119.64 1wgg n TRP 62 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1wgg n TRP 62 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1wgg n TRP 62 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1wgg n GLY 63 N 0.00 0.54 2.66 6.99 0.00 -1.26 -4.16 105.19 109.96 1wgg n GLY 63 Ca 0.00 -2.11 -0.20 0.00 0.00 0.00 0.00 46.02 43.71 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 0.00 4.40 -4.78 1.61 2.85 -1.26 -4.83 115.26 113.24 1wgg n ASN 64 Ca 0.00 -2.30 -0.36 0.00 -0.11 0.00 0.00 54.58 51.82 1wgg n ASN 64 Cb 0.00 -1.04 -0.07 0.00 1.24 0.00 0.00 39.78 39.91 1wgg n ASN 64 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1wgg s ILE 65 N 3.60 5.36 -0.49 -1.44 1.01 -1.26 -5.05 121.20 122.93 1wgg s ILE 65 Ca 0.36 0.17 -0.25 0.00 0.00 0.00 0.00 60.65 60.93 1wgg s ILE 65 Cb 0.09 -3.39 0.03 0.00 0.01 0.00 0.00 42.46 39.20 1wgg s ILE 65 CO -0.03 0.52 0.91 -0.75 0.00 0.00 0.00 174.94 175.59 1wgg s LYS 66 N -0.23 3.44 0.32 2.79 2.20 -1.26 -5.03 119.74 121.98 1wgg s LYS 66 Ca 0.11 -0.02 0.04 0.00 -0.36 0.00 0.00 55.97 55.73 1wgg s LYS 66 Cb -0.12 -3.97 -0.02 0.00 -1.51 0.00 0.00 37.83 32.21 1wgg s LYS 66 CO 0.01 -1.30 0.48 -1.64 -0.36 0.00 0.00 175.35 172.53 1wgg s MET 67 N 3.76 3.30 0.03 4.03 -1.94 -1.26 -4.98 119.30 122.24 1wgg s MET 67 Ca 0.34 -0.71 -0.27 0.00 -1.71 0.00 0.00 55.69 53.33 1wgg s MET 67 Cb -0.11 -2.78 0.08 0.00 2.01 0.00 0.00 34.83 34.04 1wgg s MET 67 CO 0.23 0.16 0.74 -1.59 -0.01 0.00 0.00 175.02 174.55 1wgg s LYS 68 N -4.19 1.03 -0.41 2.03 0.00 -1.26 -5.13 119.74 111.82 1wgg s LYS 68 Ca 0.41 -0.18 -0.19 0.00 0.00 0.00 0.00 55.97 56.01 1wgg s LYS 68 Cb -0.09 0.48 0.01 0.00 0.00 0.00 0.00 37.83 38.23 1wgg s LYS 68 CO 0.32 -0.41 0.52 -0.80 0.00 0.00 0.00 175.35 174.98 1wgg s ASN 69 N -2.12 6.27 0.00 0.03 -0.87 -1.25 -3.97 114.94 113.02 1wgg s ASN 69 Ca -0.01 -0.38 0.00 0.00 -1.57 0.00 0.00 52.86 50.90 1wgg s ASN 69 Cb -0.01 -2.27 0.00 0.00 -0.02 0.00 0.00 41.25 38.96 1wgg s ASN 69 CO -0.05 -0.61 0.00 0.61 -2.57 0.00 0.00 177.10 174.48 1wgg n GLY 70 N 5.00 1.78 3.26 0.66 0.00 -1.07 -4.93 105.19 109.89 1wgg n GLY 70 Ca -0.05 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.20 -5.11 1.61 0.00 -1.25 -4.76 117.12 105.41 1wgg n MET 71 Ca 0.00 -0.63 -0.32 0.00 0.00 0.00 0.00 57.70 56.75 1wgg n MET 71 Cb 0.00 -1.76 -0.15 0.00 0.00 0.00 0.00 33.22 31.31 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 -2.22 2.52 -0.20 3.17 2.01 -1.26 -2.69 115.64 116.97 1wgg s THR 72 Ca 0.56 -0.93 -0.06 0.00 0.31 0.00 0.00 61.69 61.57 1wgg s THR 72 Cb -0.13 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.41 1wgg s THR 72 CO 0.61 0.58 0.04 -0.69 -0.69 0.00 0.00 174.62 174.47 1wgg s VAL 73 N -0.64 4.41 -0.16 3.82 1.01 0.56 -4.81 120.40 124.59 1wgg s VAL 73 Ca 0.10 -0.16 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 1wgg s VAL 73 Cb -0.10 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1wgg s VAL 73 CO -0.00 0.43 0.41 -0.22 0.00 0.00 0.00 175.10 175.72 1wgg s LEU 74 N 0.78 4.22 -0.11 3.92 1.98 -1.26 -1.05 118.68 127.16 1wgg s LEU 74 Ca 0.02 0.63 0.03 0.00 -2.89 0.00 0.00 54.13 51.93 1wgg s LEU 74 Cb -0.14 -2.56 -0.00 0.00 0.66 0.00 0.00 46.19 44.15 1wgg s LEU 74 CO 0.02 -0.01 -0.22 -0.32 -1.89 0.00 0.00 176.35 173.93 1wgg s MET 75 N 0.88 3.10 -0.05 1.98 -2.45 -1.02 -1.72 119.30 120.02 1wgg s MET 75 Ca 0.21 -0.85 0.03 0.00 -1.25 0.00 0.00 55.69 53.83 1wgg s MET 75 Cb -0.14 -2.37 0.01 0.00 1.25 0.00 0.00 34.83 33.58 1wgg s MET 75 CO 0.08 0.17 -0.12 -1.64 1.05 0.00 0.00 175.02 174.56 1wgg s MET 76 N 0.39 1.40 0.00 4.11 -1.94 -1.09 -4.63 119.30 117.54 1wgg s MET 76 Ca -0.17 -0.39 0.00 0.00 -1.71 0.00 0.00 55.69 53.42 1wgg s MET 76 Cb -0.17 -1.22 0.00 0.00 2.01 0.00 0.00 34.83 35.44 1wgg s MET 76 CO 0.07 0.09 0.00 0.41 -0.01 0.00 0.00 175.02 175.59 1wgg n GLY 77 N 3.52 2.43 2.66 -0.03 0.00 -1.26 -0.89 105.19 111.62 1wgg n GLY 77 Ca -0.21 -1.15 -0.21 0.00 0.00 0.00 0.00 46.02 44.46 1wgg n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgg s SER 78 N 0.00 1.34 -1.08 1.61 0.01 -1.26 -5.03 113.70 109.28 1wgg s SER 78 Ca 0.00 -0.03 -0.25 0.00 1.31 0.00 0.00 55.95 56.98 1wgg s SER 78 Cb 0.00 -0.16 -0.14 0.00 0.21 0.00 0.00 66.02 65.92 1wgg s SER 78 CO 0.00 -0.26 2.05 0.00 0.41 0.00 0.00 173.24 175.43 1wgg s ALA 79 N 2.16 1.18 -0.24 1.44 0.00 -1.26 -4.86 121.76 120.17 1wgg s ALA 79 Ca 0.05 -1.72 -0.28 0.00 0.00 0.00 0.00 51.96 50.01 1wgg s ALA 79 Cb -0.13 -4.67 -0.05 0.00 0.00 0.00 0.00 23.12 18.27 1wgg s ALA 79 CO -0.04 -5.91 2.24 -0.25 0.00 0.00 0.00 175.76 171.81 1wgg n ASP 80 N 16.76 3.16 -3.68 0.00 8.00 -1.26 -3.12 116.55 136.41 1wgg n ASP 80 Ca 0.43 0.14 -0.28 0.00 0.71 0.00 0.00 54.79 55.79 1wgg n ASP 80 Cb 0.46 -1.56 0.01 0.00 -0.02 0.00 0.00 41.12 40.02 1wgg n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wgg n ALA 81 N 12.08 -2.66 -3.78 2.24 0.00 -1.26 -4.96 120.51 122.17 1wgg n ALA 81 Ca 0.31 -0.08 -0.25 0.00 0.00 0.00 0.00 53.44 53.42 1wgg n ALA 81 Cb 0.45 -1.19 -0.17 0.00 0.00 0.00 0.00 19.45 18.54 1wgg n ALA 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wgg s LEU 82 N -4.22 1.25 -1.14 0.00 1.43 -1.18 -5.04 118.68 109.77 1wgg s LEU 82 Ca 0.11 -0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 52.80 1wgg s LEU 82 Cb -0.01 -0.77 -0.07 0.00 0.03 0.00 0.00 46.19 45.37 1wgg s LEU 82 CO 0.89 -0.09 2.23 -0.81 0.23 0.00 0.00 176.35 178.80 1wgg n PRO 83 N 4.64 2.39 -3.28 1.29 -0.04 -1.26 -4.66 135.00 134.08 1wgg n PRO 83 Ca -0.15 -2.04 -0.07 0.00 -0.04 0.00 0.00 63.50 61.20 1wgg n PRO 83 Cb 0.50 -2.90 -0.05 0.00 -0.04 0.00 0.00 33.50 31.01 1wgg n PRO 83 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1wgg s GLU 84 N 3.66 0.46 0.02 0.54 2.02 -1.26 -5.15 118.70 118.99 1wgg s GLU 84 Ca 0.52 0.16 -0.05 0.00 0.02 0.00 0.00 54.97 55.62 1wgg s GLU 84 Cb 0.14 -0.21 -0.01 0.00 0.10 0.00 0.00 34.13 34.15 1wgg s GLU 84 CO -0.00 -1.05 0.09 -1.21 0.02 0.00 0.00 175.26 173.10 1wgg s GLU 85 N 2.54 0.47 0.30 1.61 2.02 -1.26 -4.43 118.70 119.96 1wgg s GLU 85 Ca 0.10 -0.55 -0.05 0.00 0.02 0.00 0.00 54.97 54.49 1wgg s GLU 85 Cb -0.12 0.19 0.07 0.00 0.10 0.00 0.00 34.13 34.37 1wgg s GLU 85 CO -0.28 -0.11 0.33 -0.35 0.02 0.00 0.00 175.26 174.87 1wgg n PRO 86 N 1.29 -0.97 -3.33 0.39 -0.04 -1.26 -5.06 135.00 126.03 1wgg n PRO 86 Ca -0.22 -0.52 -0.25 0.00 -0.04 0.00 0.00 63.50 62.47 1wgg n PRO 86 Cb 0.56 -0.41 -0.09 0.00 -0.04 0.00 0.00 33.50 33.52 1wgg n PRO 86 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wgg n SER 87 N -3.37 -0.73 -1.47 3.54 7.64 -1.26 -5.10 113.62 112.86 1wgg n SER 87 Ca 0.04 -2.43 0.13 0.00 1.01 0.00 0.00 58.87 57.62 1wgg n SER 87 Cb 0.16 -0.35 -0.07 0.00 -1.01 0.00 0.00 64.21 62.93 1wgg n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wgg n ALA 88 N 2.79 -3.37 -2.42 -0.43 0.00 -1.26 -5.03 120.51 110.79 1wgg n ALA 88 Ca 0.29 0.84 -0.21 0.00 0.00 0.00 0.00 53.44 54.36 1wgg n ALA 88 Cb 0.49 -1.56 -0.09 0.00 0.00 0.00 0.00 19.45 18.28 1wgg n ALA 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1wgg s LYS 89 N -4.58 1.69 0.01 0.00 0.00 -1.26 -5.17 119.74 110.43 1wgg s LYS 89 Ca 0.00 -1.98 -0.25 0.00 0.00 0.00 0.00 55.97 53.74 1wgg s LYS 89 Cb 0.00 -0.45 0.06 0.00 0.00 0.00 0.00 37.83 37.44 1wgg s LYS 89 CO 0.00 -0.38 0.56 -0.08 0.00 0.00 0.00 175.35 175.44 1wgg s THR 90 N -3.43 0.02 -0.30 3.79 -1.32 -1.26 -5.16 115.64 107.98 1wgg s THR 90 Ca 0.32 -0.17 -0.17 0.00 -1.21 0.00 0.00 61.69 60.47 1wgg s THR 90 Cb 0.05 -0.94 0.18 0.00 -1.51 0.00 0.00 72.50 70.28 1wgg s THR 90 CO 0.16 -0.09 1.14 -0.55 -2.21 0.00 0.00 174.62 173.06 1wgg s SER 91 N -1.64 -0.29 -0.31 8.08 0.15 -1.26 -5.13 113.70 113.30 1wgg s SER 91 Ca -0.08 0.42 -0.02 0.00 0.70 0.00 0.00 55.95 56.97 1wgg s SER 91 Cb -0.01 1.23 0.12 0.00 -1.71 0.00 0.00 66.02 65.65 1wgg s SER 91 CO 0.03 -0.06 0.19 -0.83 1.20 0.00 0.00 173.24 173.77 1wgg s GLY 92 N 1.70 0.43 0.00 9.45 0.00 -1.26 -4.97 107.32 112.67 1wgg s GLY 92 Ca -0.05 -1.12 0.23 0.00 0.00 0.00 0.00 44.72 43.79 1wgg s GLY 92 CO -0.14 2.22 1.77 -1.55 0.00 0.00 0.00 173.10 175.39 1wgg n PRO 93 N 4.94 0.55 -0.31 2.90 -0.04 -1.26 -3.81 135.00 137.97 1wgg n PRO 93 Ca -0.00 0.03 0.04 0.00 -0.04 0.00 0.00 63.50 63.53 1wgg n PRO 93 Cb 0.42 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.49 1wgg n PRO 93 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1wgg h SER 94 N 0.00 -0.84 -1.00 3.54 0.02 -2.08 -3.39 113.55 109.79 1wgg h SER 94 Ca 0.00 0.26 -0.85 0.00 -0.84 0.00 0.00 61.79 60.36 1wgg h SER 94 Cb 0.10 0.55 0.02 0.00 0.14 0.00 0.00 62.40 63.21 1wgg h SER 94 CO 0.00 -0.29 0.52 -1.20 -1.14 0.00 0.00 176.83 174.72 1wgg n SER 95 N -5.56 0.89 0.00 3.07 7.64 -1.25 -5.35 113.62 113.07 1wgg n SER 95 Ca 0.13 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.19 1wgg n SER 95 Cb 0.44 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 1wgg n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64