#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 0.03 0.53 1.61 0.15 -1.26 -5.12 113.70 109.65 1wgg s SER 2 Ca 0.00 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1wgg s SER 2 Cb 0.00 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1wgg s SER 2 CO 0.00 -0.71 0.00 -1.20 1.20 0.00 0.00 173.24 172.53 1wgg n SER 3 N 0.09 -7.24 0.00 5.45 7.64 -1.26 -5.08 113.62 113.22 1wgg n SER 3 Ca -0.16 1.52 0.00 0.00 1.01 0.00 0.00 58.87 61.24 1wgg n SER 3 Cb 0.62 -4.36 0.00 0.00 -1.01 0.00 0.00 64.21 59.46 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 -3.06 3.03 2.58 0.23 0.00 -1.26 -5.05 105.19 101.67 1wgg n GLY 4 Ca -0.03 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 1wgg n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgg s SER 5 N 0.00 3.48 -0.34 1.61 0.15 -1.26 -5.01 113.70 112.33 1wgg s SER 5 Ca 0.00 -1.86 -0.07 0.00 0.70 0.00 0.00 55.95 54.73 1wgg s SER 5 Cb 0.00 -0.58 0.21 0.00 -1.71 0.00 0.00 66.02 63.94 1wgg s SER 5 CO 0.00 -0.37 1.08 -0.55 1.20 0.00 0.00 173.24 174.60 1wgg s SER 6 N 1.40 -0.33 -0.06 5.45 0.15 -1.26 -4.98 113.70 114.08 1wgg s SER 6 Ca 0.13 -0.34 -0.00 0.00 0.70 0.00 0.00 55.95 56.44 1wgg s SER 6 Cb -0.20 0.43 0.03 0.00 -1.71 0.00 0.00 66.02 64.56 1wgg s SER 6 CO -0.16 -0.02 -0.02 -0.83 1.20 0.00 0.00 173.24 173.41 1wgg s GLY 7 N 1.21 0.44 0.36 9.45 0.00 -1.26 -2.59 107.32 114.92 1wgg s GLY 7 Ca 0.22 -0.07 0.08 0.00 0.00 0.00 0.00 44.72 44.95 1wgg s GLY 7 CO -0.11 0.82 0.14 -0.19 0.00 0.00 0.00 173.10 173.76 1wgg s TYR 8 N 1.47 2.67 -0.15 1.90 1.51 0.18 -4.97 117.35 119.95 1wgg s TYR 8 Ca -0.03 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.60 1wgg s TYR 8 Cb -0.13 -1.71 0.03 0.00 -0.11 0.00 0.00 41.96 40.04 1wgg s TYR 8 CO -0.03 0.31 -0.12 -1.12 -1.11 0.00 0.00 175.55 173.47 1wgg s SER 9 N -3.85 2.72 0.36 2.29 0.01 -1.26 -1.40 113.70 112.57 1wgg s SER 9 Ca 0.38 -0.53 0.04 0.00 1.31 0.00 0.00 55.95 57.16 1wgg s SER 9 Cb -0.01 -1.12 -0.06 0.00 0.21 0.00 0.00 66.02 65.04 1wgg s SER 9 CO 0.22 -0.09 0.06 0.68 0.41 0.00 0.00 173.24 174.52 1wgg s VAL 10 N 1.51 1.26 -0.21 3.43 -7.23 -1.24 0.11 120.40 118.03 1wgg s VAL 10 Ca 0.04 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.17 1wgg s VAL 10 Cb -0.13 -2.74 -0.01 0.00 0.56 0.00 0.00 36.38 34.05 1wgg s VAL 10 CO -0.10 0.00 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.76 1wgg s THR 11 N -3.16 3.45 -0.13 5.32 2.01 -0.96 -2.77 115.64 119.40 1wgg s THR 11 Ca 0.33 -0.47 -0.20 0.00 0.31 0.00 0.00 61.69 61.65 1wgg s THR 11 Cb 0.08 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 1wgg s THR 11 CO 0.15 0.43 0.58 -0.69 -0.69 0.00 0.00 174.62 174.40 1wgg s VAL 12 N 1.31 5.10 -0.26 3.82 1.01 0.03 0.20 120.40 131.61 1wgg s VAL 12 Ca 0.04 1.15 -0.02 0.00 0.00 0.00 0.00 61.98 63.15 1wgg s VAL 12 Cb -0.14 -3.91 0.03 0.00 0.00 0.00 0.00 36.38 32.35 1wgg s VAL 12 CO -0.02 0.24 -0.03 -0.75 0.00 0.00 0.00 175.10 174.55 1wgg s LYS 13 N 1.04 2.81 -0.41 2.72 2.20 0.15 -1.21 119.74 127.05 1wgg s LYS 13 Ca 0.30 -1.00 0.03 0.00 -0.36 0.00 0.00 55.97 54.93 1wgg s LYS 13 Cb -0.16 -3.07 0.12 0.00 -1.51 0.00 0.00 37.83 33.21 1wgg s LYS 13 CO 0.13 -0.44 0.16 -0.46 -0.36 0.00 0.00 175.35 174.37 1wgg s TRP 14 N 1.34 2.92 0.00 4.03 -0.00 -0.76 -1.56 118.94 124.90 1wgg s TRP 14 Ca -0.00 -2.75 0.00 0.00 -0.00 0.00 0.00 56.10 53.35 1wgg s TRP 14 Cb -0.17 -2.51 0.00 0.00 -0.00 0.00 0.00 33.47 30.79 1wgg s TRP 14 CO -0.03 -0.84 0.00 0.41 -0.00 0.00 0.00 176.95 176.49 1wgg n GLY 15 N 3.85 2.16 0.36 5.86 0.00 -1.26 0.19 105.19 116.34 1wgg n GLY 15 Ca 0.04 0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.17 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 0.56 -7.00 1.61 3.64 -2.01 -3.41 116.57 109.95 1wgg h LYS 16 Ca 0.00 -0.03 -0.51 0.00 -1.27 0.00 0.00 60.65 58.84 1wgg h LYS 16 Cb 0.00 -0.13 0.06 0.00 -0.41 0.00 0.00 32.23 31.76 1wgg h LYS 16 CO 0.00 0.37 0.48 -1.21 -2.27 0.00 0.00 179.45 176.82 1wgg s GLU 17 N -5.53 3.76 -0.01 1.90 0.41 0.50 -5.05 118.70 114.68 1wgg s GLU 17 Ca -0.09 1.76 -0.01 0.00 -0.41 0.00 0.00 54.97 56.22 1wgg s GLU 17 Cb 0.20 -2.39 0.00 0.00 -1.78 0.00 0.00 34.13 30.15 1wgg s GLU 17 CO 0.76 -0.55 0.02 0.21 -0.49 0.00 0.00 175.26 175.21 1wgg s LYS 18 N -2.71 0.03 -0.13 1.61 2.20 -1.26 -1.83 119.74 117.64 1wgg s LYS 18 Ca 0.64 0.01 -0.03 0.00 -0.36 0.00 0.00 55.97 56.22 1wgg s LYS 18 Cb -0.28 0.01 0.05 0.00 -1.51 0.00 0.00 37.83 36.10 1wgg s LYS 18 CO 0.34 -0.00 0.06 -0.06 -0.36 0.00 0.00 175.35 175.33 1wgg s PHE 19 N -0.03 0.42 -0.17 4.03 0.08 -0.35 -4.99 117.98 116.98 1wgg s PHE 19 Ca -0.00 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 56.76 1wgg s PHE 19 Cb -0.00 -0.74 0.01 0.00 -0.57 0.00 0.00 43.02 41.71 1wgg s PHE 19 CO 0.00 -0.44 -0.17 -1.21 -0.10 0.00 0.00 175.22 173.30 1wgg s GLU 20 N 2.06 3.13 0.00 0.44 2.02 -1.26 -0.79 118.70 124.29 1wgg s GLU 20 Ca 0.02 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.23 1wgg s GLU 20 Cb -0.15 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.46 1wgg s GLU 20 CO -0.07 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.54 1wgg n GLY 21 N 4.32 0.54 3.88 -1.39 0.00 -1.25 -5.06 105.19 106.23 1wgg n GLY 21 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.02 4.95 -0.45 1.61 1.01 -1.11 -5.01 120.40 120.38 1wgg s VAL 22 Ca 0.00 0.44 -0.20 0.00 0.00 0.00 0.00 61.98 62.22 1wgg s VAL 22 Cb 0.00 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.79 1wgg s VAL 22 CO 0.00 -0.05 0.61 -1.61 0.00 0.00 0.00 175.10 174.06 1wgg s GLU 23 N -2.77 3.23 0.07 2.72 2.02 -1.26 -3.69 118.70 119.03 1wgg s GLU 23 Ca 0.46 -0.50 0.09 0.00 0.02 0.00 0.00 54.97 55.04 1wgg s GLU 23 Cb -0.11 -3.98 -0.03 0.00 0.10 0.00 0.00 34.13 30.11 1wgg s GLU 23 CO 0.21 -1.02 -0.22 -1.17 0.02 0.00 0.00 175.26 173.09 1wgg s LEU 24 N 2.70 2.47 0.05 1.80 2.96 -0.49 -4.89 118.68 123.28 1wgg s LEU 24 Ca 0.20 -0.55 0.05 0.00 -0.22 0.00 0.00 54.13 53.61 1wgg s LEU 24 Cb -0.15 -1.41 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 1wgg s LEU 24 CO 0.17 0.23 -0.13 0.54 -1.32 0.00 0.00 176.35 175.83 1wgg s ASN 25 N -1.65 1.58 -0.13 3.68 4.22 -1.26 0.48 114.94 121.86 1wgg s ASN 25 Ca 0.14 -0.50 0.10 0.00 -2.14 0.00 0.00 52.86 50.47 1wgg s ASN 25 Cb -0.10 -0.08 -0.15 0.00 1.28 0.00 0.00 41.25 42.20 1wgg s ASN 25 CO 0.06 -0.01 0.02 0.35 -2.04 0.00 0.00 177.10 175.47 1wgg n THR 26 N 1.72 0.87 0.17 0.54 -2.24 -1.07 -4.40 114.28 109.87 1wgg n THR 26 Ca -0.19 -0.51 0.18 0.00 -2.27 0.00 0.00 64.05 61.26 1wgg n THR 26 Cb 0.55 -0.71 0.80 0.00 -2.10 0.00 0.00 70.33 68.86 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 -6.03 3.42 1.82 -1.94 -3.42 116.42 110.28 1wgg h ASP 27 Ca -0.34 0.00 -0.48 0.00 -0.39 0.00 0.00 57.03 55.82 1wgg h ASP 27 Cb 1.75 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.75 1wgg h ASP 27 CO 0.01 0.00 -0.15 -0.62 -1.61 0.00 0.00 179.24 176.87 1wgg n GLU 28 N -3.79 0.69 -1.55 0.28 -0.58 -1.26 -5.12 120.64 109.31 1wgg n GLU 28 Ca 0.03 -2.97 -0.30 0.00 -0.42 0.00 0.00 57.16 53.50 1wgg n GLU 28 Cb 0.41 0.03 0.10 0.00 -0.57 0.00 0.00 31.44 31.41 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 -4.24 1.92 0.10 3.49 0.04 -1.26 -4.74 135.00 130.32 1wgg s PRO 29 Ca 0.43 0.58 0.23 0.00 0.04 0.00 0.00 61.00 62.28 1wgg s PRO 29 Cb -0.03 -1.90 0.92 0.00 0.04 0.00 0.00 34.50 33.52 1wgg s PRO 29 CO 0.27 -1.72 1.72 -0.35 0.04 0.00 0.00 177.00 176.96 1wgg n PRO 30 N -3.49 0.10 0.21 0.56 -0.04 -1.26 -2.86 135.00 128.23 1wgg n PRO 30 Ca 0.07 0.21 0.06 0.00 -0.04 0.00 0.00 63.50 63.80 1wgg n PRO 30 Cb 0.57 -1.65 0.47 0.00 -0.04 0.00 0.00 33.50 32.85 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 0.00 0.62 0.54 2.86 -1.81 -2.74 114.93 114.40 1wgg h MET 31 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1wgg h MET 31 Cb 0.45 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.12 1wgg h MET 31 CO 0.00 0.27 -0.30 0.28 1.06 0.00 0.00 176.91 178.23 1wgg h VAL 32 N 0.00 0.09 -1.07 -2.22 2.07 -1.90 0.17 116.25 113.39 1wgg h VAL 32 Ca -0.00 -0.38 0.29 0.00 0.82 0.00 0.00 66.70 67.43 1wgg h VAL 32 Cb 0.54 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.37 1wgg h VAL 32 CO 0.04 0.01 0.73 0.15 0.02 0.00 0.00 177.57 178.52 1wgg h PHE 33 N -1.18 0.31 0.00 1.57 3.57 -1.71 1.53 116.94 121.03 1wgg h PHE 33 Ca -0.08 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.31 1wgg h PHE 33 Cb 0.66 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1wgg h PHE 33 CO 0.00 0.03 -0.66 0.87 -2.23 0.00 0.00 178.31 176.33 1wgg h LYS 34 N 0.18 0.00 0.00 1.11 1.57 -1.33 -2.72 116.57 115.38 1wgg h LYS 34 Ca 0.55 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.26 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 -0.14 0.50 -0.35 0.00 -0.57 0.00 0.00 179.45 178.90 1wgg h ALA 35 N 1.46 1.19 0.02 3.86 0.00 0.52 -2.95 119.26 123.36 1wgg h ALA 35 Ca -0.03 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1wgg h ALA 35 Cb 1.43 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1wgg h ALA 35 CO 0.07 0.43 -0.37 0.37 0.00 0.00 0.00 179.25 179.75 1wgg h GLN 36 N 0.00 0.03 -1.30 0.00 4.15 -1.15 -3.29 115.11 113.55 1wgg h GLN 36 Ca -0.00 -0.06 0.38 0.00 0.77 0.00 0.00 58.65 59.74 1wgg h GLN 36 Cb 0.72 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.38 1wgg h GLN 36 CO 0.04 1.03 0.99 -0.07 -1.93 0.00 0.00 178.83 178.89 1wgg h LEU 37 N -0.92 0.00 -1.43 -2.39 3.38 -1.43 1.60 115.31 114.11 1wgg h LEU 37 Ca -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1wgg h LEU 37 Cb 1.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1wgg h LEU 37 CO -0.03 0.00 0.22 0.15 0.09 0.00 0.00 178.44 178.87 1wgg h PHE 38 N 0.00 0.59 -0.01 1.13 3.57 -1.58 1.57 116.94 122.21 1wgg h PHE 38 Ca 0.62 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.11 1wgg h PHE 38 Cb 2.58 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 41.13 1wgg h PHE 38 CO 0.00 0.43 -0.36 0.00 -2.23 0.00 0.00 178.31 176.15 1wgg n ALA 39 N -2.47 3.30 -0.10 2.41 0.00 0.54 -1.11 120.51 123.07 1wgg n ALA 39 Ca 0.03 -0.43 -0.21 0.00 0.00 0.00 0.00 53.44 52.83 1wgg n ALA 39 Cb 0.11 -1.07 -0.12 0.00 0.00 0.00 0.00 19.45 18.37 1wgg n ALA 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wgg n LEU 40 N -0.76 2.67 -0.07 0.00 4.77 -0.06 -4.79 117.00 118.76 1wgg n LEU 40 Ca 0.10 0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 56.00 1wgg n LEU 40 Cb 0.36 -0.94 -0.04 0.00 -2.33 0.00 0.00 43.42 40.47 1wgg n LEU 40 CO 0.29 0.82 -0.75 0.35 -1.33 0.00 0.00 177.39 176.77 1wgg n THR 41 N -3.54 1.33 0.00 -5.08 -2.24 0.52 -5.04 114.28 100.23 1wgg n THR 41 Ca -0.44 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1wgg n THR 41 Cb 0.97 -2.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 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 1.88 0.77 3.91 3.38 0.00 -0.27 -5.03 105.19 109.83 1wgg n GLY 42 Ca -0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.62 5.32 0.84 1.61 1.01 -1.26 -4.67 120.40 121.64 1wgg s VAL 43 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 61.98 61.68 1wgg s VAL 43 Cb 0.00 -3.61 0.07 0.00 0.00 0.00 0.00 36.38 32.85 1wgg s VAL 43 CO 0.00 0.17 1.00 0.00 0.00 0.00 0.00 175.10 176.27 1wgg n GLN 44 N 0.43 0.01 0.00 2.72 3.00 -1.26 -3.86 117.38 118.41 1wgg n GLN 44 Ca -0.06 0.07 0.12 0.00 -0.01 0.00 0.00 57.00 57.12 1wgg n GLN 44 Cb 0.52 -2.27 0.66 0.00 0.00 0.00 0.00 30.24 29.14 1wgg n GLN 44 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1wgg n PRO 45 N -2.94 0.60 -0.10 -1.09 -0.04 -1.26 -1.32 135.00 128.85 1wgg n PRO 45 Ca 0.12 0.03 -0.18 0.00 -0.04 0.00 0.00 63.50 63.42 1wgg n PRO 45 Cb 0.51 -1.50 -0.06 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 -1.10 1.21 0.28 0.55 0.00 -1.26 -4.44 120.51 115.75 1wgg n ALA 46 Ca 0.15 -0.89 0.17 0.00 0.00 0.00 0.00 53.44 52.87 1wgg n ALA 46 Cb 0.12 0.11 0.82 0.00 0.00 0.00 0.00 19.45 20.49 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 -0.92 0.00 -5.91 0.00 -0.00 -1.93 -3.40 114.38 102.23 1wgg h ARG 47 Ca -0.34 0.00 -0.43 0.00 -0.50 0.00 0.00 59.98 58.71 1wgg h ARG 47 Cb 1.26 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 31.18 1wgg h ARG 47 CO -0.21 0.05 1.11 -0.65 0.00 0.00 0.00 179.97 180.28 1wgg s GLN 48 N -3.95 2.68 -0.86 0.04 -0.21 -0.43 -4.49 119.66 112.45 1wgg s GLN 48 Ca -0.02 0.13 -0.25 0.00 0.02 0.00 0.00 55.36 55.25 1wgg s GLN 48 Cb 0.11 -4.68 -0.01 0.00 1.00 0.00 0.00 33.01 29.43 1wgg s GLN 48 CO 0.53 -2.91 1.75 0.21 -2.12 0.00 0.00 175.29 172.75 1wgg s LYS 49 N 6.85 2.86 -0.62 2.91 2.20 -0.65 -4.86 119.74 128.43 1wgg s LYS 49 Ca 0.65 -0.30 -0.26 0.00 -0.36 0.00 0.00 55.97 55.70 1wgg s LYS 49 Cb -0.09 -4.92 0.04 0.00 -1.51 0.00 0.00 37.83 31.34 1wgg s LYS 49 CO 0.11 -2.87 1.12 0.08 -0.36 0.00 0.00 175.35 173.42 1wgg s VAL 50 N 8.32 4.08 0.89 4.02 1.01 -1.26 -2.45 120.40 135.01 1wgg s VAL 50 Ca 0.61 0.46 -0.13 0.00 0.00 0.00 0.00 61.98 62.92 1wgg s VAL 50 Cb -0.06 -4.72 0.13 0.00 0.00 0.00 0.00 36.38 31.73 1wgg s VAL 50 CO 0.03 -1.42 1.16 -0.04 0.00 0.00 0.00 175.10 174.82 1wgg s MET 51 N 4.77 1.28 0.08 2.72 -1.94 0.80 -1.21 119.30 125.80 1wgg s MET 51 Ca 0.35 0.19 0.02 0.00 -1.71 0.00 0.00 55.69 54.54 1wgg s MET 51 Cb -0.10 -1.87 -0.04 0.00 2.01 0.00 0.00 34.83 34.84 1wgg s MET 51 CO 0.19 -2.08 -0.07 0.08 -0.01 0.00 0.00 175.02 173.13 1wgg s VAL 52 N -3.40 0.66 0.24 -6.03 1.01 0.49 -4.24 120.40 109.13 1wgg s VAL 52 Ca 0.64 -1.62 0.12 0.00 0.00 0.00 0.00 61.98 61.12 1wgg s VAL 52 Cb -0.13 -1.29 0.24 0.00 0.00 0.00 0.00 36.38 35.20 1wgg s VAL 52 CO 0.52 -0.68 1.04 0.29 0.00 0.00 0.00 175.10 176.27 1wgg n LYS 53 N 0.52 -0.04 -2.69 2.72 5.02 -1.26 -2.13 118.16 120.30 1wgg n LYS 53 Ca -0.16 0.92 -0.04 0.00 -2.02 0.00 0.00 58.31 57.01 1wgg n LYS 53 Cb 0.58 -1.62 0.12 0.00 -0.02 0.00 0.00 35.03 34.09 1wgg n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wgg n GLY 54 N -1.19 1.76 0.00 0.72 0.00 -1.26 -5.14 105.19 100.08 1wgg n GLY 54 Ca 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.09 0.74 3.31 -0.02 0.00 -0.90 -5.17 105.19 102.05 1wgg n GLY 55 Ca -0.10 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.19 1.91 0.12 2.61 2.01 -1.26 0.19 115.64 119.02 1wgg s THR 56 Ca 0.00 -1.44 -0.30 0.00 0.31 0.00 0.00 61.69 60.25 1wgg s THR 56 Cb 0.00 -1.68 -0.07 0.00 0.01 0.00 0.00 72.50 70.77 1wgg s THR 56 CO 0.00 0.15 1.18 -0.22 -0.69 0.00 0.00 174.62 175.05 1wgg s LEU 57 N -1.55 4.42 0.00 4.42 0.20 -0.35 -4.89 118.68 120.92 1wgg s LEU 57 Ca 0.10 2.10 -0.04 0.00 0.69 0.00 0.00 54.13 56.97 1wgg s LEU 57 Cb -0.10 -3.59 0.05 0.00 -0.43 0.00 0.00 46.19 42.12 1wgg s LEU 57 CO 0.03 -0.40 0.26 0.29 -0.29 0.00 0.00 176.35 176.25 1wgg n LYS 58 N 3.22 -0.66 0.00 1.98 5.02 -1.26 -4.87 118.16 121.59 1wgg n LYS 58 Ca 0.06 -0.41 0.00 0.00 -2.02 0.00 0.00 58.31 55.94 1wgg n LYS 58 Cb 0.46 -0.31 0.00 0.00 -0.02 0.00 0.00 35.03 35.16 1wgg n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1wgg n ASP 59 N -3.25 0.97 0.32 4.39 5.75 -1.26 -4.59 116.55 118.87 1wgg n ASP 59 Ca 0.03 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 54.65 1wgg n ASP 59 Cb 0.12 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.13 1wgg n ASP 59 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1wgg h ASP 60 N 0.00 -0.68 -5.01 -1.12 3.32 -1.99 -3.36 116.42 107.59 1wgg h ASP 60 Ca 0.00 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1wgg h ASP 60 Cb 0.59 0.18 -0.12 0.00 0.22 0.00 0.00 39.33 40.20 1wgg h ASP 60 CO 0.00 -0.38 0.18 -1.81 -1.72 0.00 0.00 179.24 175.51 1wgg s ASP 61 N -4.58 -0.53 0.01 6.45 1.11 -1.26 -4.70 116.67 113.17 1wgg s ASP 61 Ca -0.16 -0.04 -0.26 0.00 0.18 0.00 0.00 52.55 52.28 1wgg s ASP 61 Cb 0.03 0.59 -0.14 0.00 1.07 0.00 0.00 42.92 44.46 1wgg s ASP 61 CO 0.55 -0.96 1.08 -0.50 1.18 0.00 0.00 175.17 176.51 1wgg h TRP 62 N 2.04 -0.83 -0.56 4.23 4.06 -1.91 -3.42 115.95 119.56 1wgg h TRP 62 Ca -0.34 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.59 1wgg h TRP 62 Cb 1.30 0.27 0.00 0.00 -1.00 0.00 0.00 29.16 29.74 1wgg h TRP 62 CO 0.24 -0.50 0.00 0.41 -3.56 0.00 0.00 178.44 175.03 1wgg n GLY 63 N -0.55 0.68 3.96 1.49 0.00 -1.26 -4.43 105.19 105.08 1wgg n GLY 63 Ca -0.11 -0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.28 -1.54 -4.78 1.61 5.15 -1.26 -4.90 115.26 109.26 1wgg n ASN 64 Ca 0.00 -0.95 -0.36 0.00 -0.60 0.00 0.00 54.58 52.67 1wgg n ASN 64 Cb 0.11 -3.27 -0.03 0.00 -0.53 0.00 0.00 39.78 36.07 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 -3.71 3.50 -1.00 -1.44 1.01 -1.26 -4.94 121.20 113.35 1wgg s ILE 65 Ca 0.22 1.09 -0.22 0.00 0.00 0.00 0.00 60.65 61.73 1wgg s ILE 65 Cb -0.11 -3.53 0.07 0.00 0.01 0.00 0.00 42.46 38.89 1wgg s ILE 65 CO 0.88 -0.05 1.38 -0.54 0.00 0.00 0.00 174.94 176.61 1wgg s LYS 66 N -2.73 3.59 0.29 2.79 -0.14 -1.26 -4.98 119.74 117.30 1wgg s LYS 66 Ca 0.62 -1.24 0.05 0.00 -1.36 0.00 0.00 55.97 54.04 1wgg s LYS 66 Cb -0.23 -5.26 -0.02 0.00 -1.68 0.00 0.00 37.83 30.63 1wgg s LYS 66 CO 0.29 -2.12 0.43 -1.64 -0.76 0.00 0.00 175.35 171.55 1wgg s MET 67 N 4.53 3.34 0.00 1.68 -1.94 -1.26 -5.09 119.30 120.56 1wgg s MET 67 Ca 0.43 -0.75 -0.24 0.00 -1.71 0.00 0.00 55.69 53.42 1wgg s MET 67 Cb -0.01 -2.82 0.05 0.00 2.01 0.00 0.00 34.83 34.06 1wgg s MET 67 CO -0.10 0.26 0.53 -1.59 -0.01 0.00 0.00 175.02 174.11 1wgg s LYS 68 N -4.11 0.97 -0.28 2.03 0.00 -1.26 -5.14 119.74 111.96 1wgg s LYS 68 Ca 0.38 -0.06 -0.18 0.00 0.00 0.00 0.00 55.97 56.11 1wgg s LYS 68 Cb -0.09 0.45 -0.02 0.00 0.00 0.00 0.00 37.83 38.16 1wgg s LYS 68 CO 0.31 -0.32 0.53 0.54 0.00 0.00 0.00 175.35 176.41 1wgg s ASN 69 N -1.59 6.43 0.00 0.03 2.20 -1.26 -3.91 114.94 116.84 1wgg s ASN 69 Ca -0.09 0.46 0.00 0.00 -0.94 0.00 0.00 52.86 52.29 1wgg s ASN 69 Cb -0.01 -2.29 0.00 0.00 -2.00 0.00 0.00 41.25 36.95 1wgg s ASN 69 CO 0.03 -0.33 0.00 0.61 -2.94 0.00 0.00 177.10 174.47 1wgg n GLY 70 N 4.44 0.89 1.05 0.45 0.00 0.31 -4.89 105.19 107.43 1wgg n GLY 70 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.02 -4.57 1.61 0.00 -1.25 -4.63 117.12 107.25 1wgg n MET 71 Ca 0.00 -0.31 -0.22 0.00 0.00 0.00 0.00 57.70 57.18 1wgg n MET 71 Cb 0.00 -0.54 -0.15 0.00 0.00 0.00 0.00 33.22 32.53 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 -1.11 1.02 -0.18 3.17 2.01 -1.26 -2.27 115.64 117.02 1wgg s THR 72 Ca 0.14 -0.53 -0.02 0.00 0.31 0.00 0.00 61.69 61.59 1wgg s THR 72 Cb -0.02 -0.87 -0.01 0.00 0.01 0.00 0.00 72.50 71.61 1wgg s THR 72 CO 0.12 0.30 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.56 1wgg s VAL 73 N -0.15 3.08 -0.14 3.82 1.01 0.54 -4.67 120.40 123.89 1wgg s VAL 73 Ca 0.02 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.26 1wgg s VAL 73 Cb -0.07 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1wgg s VAL 73 CO 0.00 0.47 0.27 -0.22 0.00 0.00 0.00 175.10 175.62 1wgg s LEU 74 N 1.07 4.29 0.09 3.92 1.98 -1.26 0.35 118.68 129.11 1wgg s LEU 74 Ca 0.00 0.52 0.10 0.00 -2.89 0.00 0.00 54.13 51.86 1wgg s LEU 74 Cb -0.15 -2.32 -0.03 0.00 0.66 0.00 0.00 46.19 44.35 1wgg s LEU 74 CO -0.02 0.18 -0.26 -0.32 -1.89 0.00 0.00 176.35 174.03 1wgg s MET 75 N 0.08 1.60 -0.08 1.98 -2.45 -0.60 -0.14 119.30 119.69 1wgg s MET 75 Ca 0.16 -1.23 -0.03 0.00 -1.25 0.00 0.00 55.69 53.34 1wgg s MET 75 Cb -0.13 -1.94 0.04 0.00 1.25 0.00 0.00 34.83 34.05 1wgg s MET 75 CO 0.04 0.48 0.14 -1.64 1.05 0.00 0.00 175.02 175.09 1wgg s MET 76 N -1.69 0.01 0.00 4.11 -1.94 -1.02 -4.58 119.30 114.19 1wgg s MET 76 Ca 0.13 0.52 0.00 0.00 -1.71 0.00 0.00 55.69 54.63 1wgg s MET 76 Cb -0.10 -0.35 0.00 0.00 2.01 0.00 0.00 34.83 36.39 1wgg s MET 76 CO 0.04 -0.32 0.00 0.41 -0.01 0.00 0.00 175.02 175.14 1wgg n GLY 77 N 5.32 2.00 3.05 -0.03 0.00 -1.26 -1.64 105.19 112.63 1wgg n GLY 77 Ca -0.04 -0.91 -0.17 0.00 0.00 0.00 0.00 46.02 44.90 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 1.08 -0.90 1.61 0.01 -1.26 -4.99 113.70 109.25 1wgg s SER 78 Ca 0.00 -0.32 -0.18 0.00 1.31 0.00 0.00 55.95 56.77 1wgg s SER 78 Cb 0.00 -0.07 0.15 0.00 0.21 0.00 0.00 66.02 66.31 1wgg s SER 78 CO 0.00 0.01 1.04 0.00 0.41 0.00 0.00 173.24 174.70 1wgg s ALA 79 N -0.64 3.54 -0.15 1.44 0.00 -1.26 -4.89 121.76 119.80 1wgg s ALA 79 Ca -0.00 -2.89 -0.29 0.00 0.00 0.00 0.00 51.96 48.77 1wgg s ALA 79 Cb -0.06 -3.92 -0.02 0.00 0.00 0.00 0.00 23.12 19.12 1wgg s ALA 79 CO 0.00 -2.81 1.34 -0.51 0.00 0.00 0.00 175.76 173.78 1wgg s ASP 80 N 3.29 6.88 -0.04 0.00 1.01 -1.26 -4.96 116.67 121.60 1wgg s ASP 80 Ca 0.29 1.78 -0.30 0.00 0.71 0.00 0.00 52.55 55.03 1wgg s ASP 80 Cb -0.06 -2.54 0.11 0.00 1.01 0.00 0.00 42.92 41.44 1wgg s ASP 80 CO -0.09 -0.80 0.94 0.00 0.21 0.00 0.00 175.17 175.42 1wgg s ALA 81 N 3.63 -1.86 0.57 5.23 0.00 -1.26 -5.16 121.76 122.92 1wgg s ALA 81 Ca 0.58 1.11 -0.20 0.00 0.00 0.00 0.00 51.96 53.46 1wgg s ALA 81 Cb -0.24 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1wgg s ALA 81 CO 0.18 -0.67 1.22 -0.51 0.00 0.00 0.00 175.76 175.97 1wgg s LEU 82 N -2.42 3.72 -1.21 0.00 1.02 -1.26 -4.87 118.68 113.66 1wgg s LEU 82 Ca 0.06 2.41 -0.20 0.00 0.02 0.00 0.00 54.13 56.42 1wgg s LEU 82 Cb -0.01 -4.53 -0.02 0.00 0.02 0.00 0.00 46.19 41.65 1wgg s LEU 82 CO -0.08 -1.51 1.90 -0.81 0.02 0.00 0.00 176.35 175.86 1wgg n PRO 83 N -1.41 2.36 -3.03 1.29 -0.04 -1.26 -4.94 135.00 127.97 1wgg n PRO 83 Ca 0.13 -2.71 -0.30 0.00 -0.04 0.00 0.00 63.50 60.57 1wgg n PRO 83 Cb 0.49 -3.48 -0.04 0.00 -0.04 0.00 0.00 33.50 30.43 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 5.01 3.78 0.32 0.54 2.02 -1.26 -5.01 118.70 124.09 1wgg s GLU 84 Ca 0.59 0.38 -0.26 0.00 0.02 0.00 0.00 54.97 55.70 1wgg s GLU 84 Cb 0.05 -2.47 -0.14 0.00 0.10 0.00 0.00 34.13 31.67 1wgg s GLU 84 CO 0.08 0.06 0.75 0.39 0.02 0.00 0.00 175.26 176.57 1wgg n GLU 85 N -1.03 0.80 -2.49 1.61 -0.58 -1.26 -4.88 120.64 112.81 1wgg n GLU 85 Ca 0.02 0.28 -0.41 0.00 -0.42 0.00 0.00 57.16 56.63 1wgg n GLU 85 Cb 0.54 -1.55 -0.04 0.00 -0.57 0.00 0.00 31.44 29.81 1wgg n GLU 85 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1wgg s PRO 86 N -1.46 4.58 -0.38 3.49 0.04 -1.26 -5.01 135.00 135.00 1wgg s PRO 86 Ca 0.61 1.75 0.01 0.00 0.04 0.00 0.00 61.00 63.41 1wgg s PRO 86 Cb -0.71 -3.26 0.14 0.00 0.04 0.00 0.00 34.50 30.71 1wgg s PRO 86 CO 0.58 0.07 0.24 -1.12 0.04 0.00 0.00 177.00 176.81 1wgg s SER 87 N -0.17 2.97 0.01 6.66 0.01 -1.26 -5.10 113.70 116.82 1wgg s SER 87 Ca 0.49 -2.42 -0.16 0.00 1.31 0.00 0.00 55.95 55.17 1wgg s SER 87 Cb -0.30 -0.57 0.03 0.00 0.21 0.00 0.00 66.02 65.39 1wgg s SER 87 CO 0.36 -0.28 0.35 0.00 0.41 0.00 0.00 173.24 174.08 1wgg s ALA 88 N 0.74 -0.86 0.31 1.44 0.00 -1.26 -5.12 121.76 117.00 1wgg s ALA 88 Ca 0.20 0.30 0.08 0.00 0.00 0.00 0.00 51.96 52.53 1wgg s ALA 88 Cb -0.20 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 1wgg s ALA 88 CO -0.02 -0.35 0.23 0.21 0.00 0.00 0.00 175.76 175.84 1wgg s LYS 89 N -1.88 2.71 0.00 0.00 2.36 -1.26 -4.78 119.74 116.89 1wgg s LYS 89 Ca -0.09 -1.27 0.00 0.00 -2.55 0.00 0.00 55.97 52.05 1wgg s LYS 89 Cb -0.03 -2.44 0.00 0.00 -1.05 0.00 0.00 37.83 34.31 1wgg s LYS 89 CO 0.01 0.19 0.00 2.41 1.55 0.00 0.00 175.35 179.51 1wgg n THR 90 N -1.27 0.00 -4.31 3.43 -1.04 -1.26 -4.64 114.28 105.19 1wgg n THR 90 Ca -0.04 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.74 1wgg n THR 90 Cb 0.59 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.03 1wgg n THR 90 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1wgg s SER 91 N -3.12 4.44 0.21 8.00 0.15 -1.26 -5.15 113.70 116.98 1wgg s SER 91 Ca 0.00 -0.67 0.05 0.00 0.70 0.00 0.00 55.95 56.03 1wgg s SER 91 Cb 0.00 -0.79 -0.05 0.00 -1.71 0.00 0.00 66.02 63.47 1wgg s SER 91 CO 0.00 0.01 -0.06 -0.83 1.20 0.00 0.00 173.24 173.57 1wgg s GLY 92 N -3.58 1.44 0.04 9.45 0.00 -1.26 -4.73 107.32 108.68 1wgg s GLY 92 Ca 0.31 -1.70 -0.17 0.00 0.00 0.00 0.00 44.72 43.16 1wgg s GLY 92 CO 0.19 -1.68 1.18 -0.56 0.00 0.00 0.00 173.10 172.23 1wgg h PRO 93 N 2.54 0.56 0.00 2.90 0.13 -1.99 -3.47 132.00 132.68 1wgg h PRO 93 Ca -0.38 -0.55 0.00 0.00 -0.87 0.00 0.00 66.00 64.20 1wgg h PRO 93 Cb 1.21 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1wgg h PRO 93 CO 0.64 1.17 0.00 0.45 -0.23 0.00 0.00 178.00 180.04 1wgg n SER 94 N -4.09 0.00 -4.56 1.44 2.88 -1.26 -4.88 113.62 103.14 1wgg n SER 94 Ca -0.10 0.00 -0.55 0.00 -1.33 0.00 0.00 58.87 56.89 1wgg n SER 94 Cb 0.72 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.11 1wgg n SER 94 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wgg n SER 95 N 3.02 2.16 0.00 -3.46 2.88 -1.26 -5.15 113.62 111.81 1wgg n SER 95 Ca 0.00 0.79 0.00 0.00 -1.33 0.00 0.00 58.87 58.33 1wgg n SER 95 Cb 0.00 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 62.29 1wgg n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42