#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 -0.23 1.14 1.61 0.01 -1.26 -5.17 113.70 109.80 1wgg s SER 2 Ca 0.00 0.37 -0.16 0.00 1.31 0.00 0.00 55.95 57.47 1wgg s SER 2 Cb 0.00 0.35 0.18 0.00 0.21 0.00 0.00 66.02 66.75 1wgg s SER 2 CO 0.00 -0.13 0.43 -1.20 0.41 0.00 0.00 173.24 172.75 1wgg n SER 3 N 1.36 -2.09 0.00 2.44 7.64 -1.26 -4.55 113.62 117.16 1wgg n SER 3 Ca -0.09 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1wgg n SER 3 Cb 0.57 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 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 1.59 2.60 1.30 0.23 0.00 -1.26 -4.92 105.19 104.73 1wgg n GLY 4 Ca 0.02 0.32 0.17 0.00 0.00 0.00 0.00 46.02 46.53 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 4.43 -7.81 -3.48 1.61 7.64 -1.26 -4.75 113.62 110.00 1wgg n SER 5 Ca 0.00 0.86 -0.27 0.00 1.01 0.00 0.00 58.87 60.48 1wgg n SER 5 Cb 0.00 -4.16 -0.09 0.00 -1.01 0.00 0.00 64.21 58.94 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 -4.10 1.55 -4.13 6.43 7.64 -1.26 -5.08 113.62 114.66 1wgg n SER 6 Ca -0.03 -2.91 -0.25 0.00 1.01 0.00 0.00 58.87 56.70 1wgg n SER 6 Cb 0.60 -0.65 -0.16 0.00 -1.01 0.00 0.00 64.21 63.00 1wgg n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wgg s GLY 7 N -1.21 0.84 0.19 0.23 0.00 -1.26 -2.34 107.32 103.76 1wgg s GLY 7 Ca 0.33 -0.68 0.10 0.00 0.00 0.00 0.00 44.72 44.47 1wgg s GLY 7 CO -0.13 -0.46 -0.20 -0.19 0.00 0.00 0.00 173.10 172.12 1wgg s TYR 8 N -0.18 2.02 -0.20 1.90 1.51 0.49 -4.97 117.35 117.93 1wgg s TYR 8 Ca 0.02 -0.42 -0.03 0.00 -1.01 0.00 0.00 57.07 55.63 1wgg s TYR 8 Cb -0.09 -0.99 -0.01 0.00 -0.11 0.00 0.00 41.96 40.77 1wgg s TYR 8 CO 0.01 0.43 -0.07 -1.12 -1.11 0.00 0.00 175.55 173.68 1wgg s SER 9 N -2.78 4.15 0.39 2.29 0.01 -1.26 -1.56 113.70 114.95 1wgg s SER 9 Ca 0.19 -0.40 0.04 0.00 1.31 0.00 0.00 55.95 57.10 1wgg s SER 9 Cb -0.06 -1.69 -0.03 0.00 0.21 0.00 0.00 66.02 64.45 1wgg s SER 9 CO 0.09 0.02 0.16 0.68 0.41 0.00 0.00 173.24 174.59 1wgg s VAL 10 N 1.24 0.47 -0.11 3.43 -7.23 -1.25 0.71 120.40 117.66 1wgg s VAL 10 Ca 0.03 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 1wgg s VAL 10 Cb -0.14 -2.38 0.02 0.00 0.56 0.00 0.00 36.38 34.44 1wgg s VAL 10 CO -0.03 0.00 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.73 1wgg s THR 11 N -3.27 1.45 -0.07 5.32 2.01 -1.05 -3.14 115.64 116.89 1wgg s THR 11 Ca 0.27 -0.61 -0.20 0.00 0.31 0.00 0.00 61.69 61.45 1wgg s THR 11 Cb 0.03 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 1wgg s THR 11 CO 0.17 0.43 0.58 -0.69 -0.69 0.00 0.00 174.62 174.42 1wgg s VAL 12 N 1.02 5.06 -0.25 3.82 1.01 -0.70 0.20 120.40 130.56 1wgg s VAL 12 Ca -0.06 1.19 0.03 0.00 0.00 0.00 0.00 61.98 63.14 1wgg s VAL 12 Cb -0.15 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.37 1wgg s VAL 12 CO -0.02 0.33 -0.12 -0.54 0.00 0.00 0.00 175.10 174.75 1wgg s LYS 13 N 0.41 2.37 -0.41 2.72 1.02 0.10 -1.53 119.74 124.42 1wgg s LYS 13 Ca 0.31 -1.26 0.04 0.00 0.02 0.00 0.00 55.97 55.08 1wgg s LYS 13 Cb -0.17 -2.84 0.11 0.00 -0.52 0.00 0.00 37.83 34.41 1wgg s LYS 13 CO 0.15 -0.51 0.14 -0.46 -0.92 0.00 0.00 175.35 173.75 1wgg s TRP 14 N 1.14 3.40 0.00 3.18 -0.00 -0.77 -1.37 118.94 124.51 1wgg s TRP 14 Ca -0.07 -3.01 0.00 0.00 -0.00 0.00 0.00 56.10 53.02 1wgg s TRP 14 Cb -0.19 -2.81 0.00 0.00 -0.00 0.00 0.00 33.47 30.47 1wgg s TRP 14 CO -0.06 -0.86 0.00 0.41 -0.00 0.00 0.00 176.95 176.44 1wgg n GLY 15 N 3.79 2.17 0.35 5.86 0.00 -1.26 0.19 105.19 116.29 1wgg n GLY 15 Ca 0.04 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.18 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 0.61 -7.01 1.61 1.63 -2.01 -3.41 116.57 107.99 1wgg h LYS 16 Ca 0.00 -0.04 -0.51 0.00 -0.85 0.00 0.00 60.65 59.25 1wgg h LYS 16 Cb 0.00 -0.14 0.07 0.00 -0.60 0.00 0.00 32.23 31.56 1wgg h LYS 16 CO 0.00 0.41 0.49 -1.21 -3.45 0.00 0.00 179.45 175.69 1wgg s GLU 17 N -5.58 3.70 -0.01 1.90 0.41 0.51 -5.04 118.70 114.58 1wgg s GLU 17 Ca -0.09 1.80 -0.02 0.00 -0.41 0.00 0.00 54.97 56.25 1wgg s GLU 17 Cb 0.19 -2.38 0.00 0.00 -1.78 0.00 0.00 34.13 30.17 1wgg s GLU 17 CO 0.76 -0.61 0.05 0.21 -0.49 0.00 0.00 175.26 175.18 1wgg s LYS 18 N -2.74 0.13 -0.12 1.61 2.20 -1.26 -1.84 119.74 117.72 1wgg s LYS 18 Ca 0.64 -0.06 -0.03 0.00 -0.36 0.00 0.00 55.97 56.16 1wgg s LYS 18 Cb -0.29 0.05 0.05 0.00 -1.51 0.00 0.00 37.83 36.13 1wgg s LYS 18 CO 0.35 -0.02 0.05 -0.06 -0.36 0.00 0.00 175.35 175.31 1wgg s PHE 19 N -0.30 0.42 -0.14 4.03 0.08 -0.58 -4.99 117.98 116.50 1wgg s PHE 19 Ca -0.03 -0.24 0.01 0.00 0.12 0.00 0.00 56.93 56.79 1wgg s PHE 19 Cb -0.02 -0.73 -0.00 0.00 -0.57 0.00 0.00 43.02 41.70 1wgg s PHE 19 CO 0.00 -0.41 -0.17 -1.21 -0.10 0.00 0.00 175.22 173.34 1wgg s GLU 20 N 2.06 3.19 0.00 0.44 2.02 -1.26 -1.72 118.70 123.43 1wgg s GLU 20 Ca 0.03 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.25 1wgg s GLU 20 Cb -0.14 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.52 1wgg s GLU 20 CO -0.06 0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.68 1wgg n GLY 21 N 3.95 0.71 3.90 -1.39 0.00 -1.26 -5.07 105.19 106.04 1wgg n GLY 21 Ca -0.19 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.66 5.13 -0.20 1.61 1.01 -1.19 -5.06 120.40 120.05 1wgg s VAL 22 Ca 0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 1wgg s VAL 22 Cb 0.00 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1wgg s VAL 22 CO 0.00 -0.05 0.17 -1.83 0.00 0.00 0.00 175.10 173.39 1wgg s GLU 23 N -3.06 4.18 -0.01 2.72 -1.05 -1.26 -3.79 118.70 116.43 1wgg s GLU 23 Ca 0.34 -0.16 0.01 0.00 -0.15 0.00 0.00 54.97 55.01 1wgg s GLU 23 Cb -0.11 -3.45 0.00 0.00 -0.44 0.00 0.00 34.13 30.14 1wgg s GLU 23 CO 0.27 0.24 -0.05 -1.17 0.95 0.00 0.00 175.26 175.50 1wgg s LEU 24 N 0.53 1.83 -0.01 1.83 2.96 -0.60 -4.87 118.68 120.35 1wgg s LEU 24 Ca 0.10 -0.09 0.05 0.00 -0.22 0.00 0.00 54.13 53.96 1wgg s LEU 24 Cb -0.12 -0.29 -0.01 0.00 0.50 0.00 0.00 46.19 46.27 1wgg s LEU 24 CO 0.00 0.03 -0.14 0.20 -1.32 0.00 0.00 176.35 175.12 1wgg s ASN 25 N 0.13 1.70 -0.17 3.68 -0.87 -1.26 0.19 114.94 118.34 1wgg s ASN 25 Ca -0.01 -0.28 0.14 0.00 -1.57 0.00 0.00 52.86 51.14 1wgg s ASN 25 Cb -0.05 -0.18 -0.24 0.00 -0.02 0.00 0.00 41.25 40.76 1wgg s ASN 25 CO -0.00 0.17 0.19 0.35 -2.57 0.00 0.00 177.10 175.24 1wgg n THR 26 N 2.66 1.47 0.06 1.60 -2.24 -0.99 -4.13 114.28 112.70 1wgg n THR 26 Ca -0.15 -0.81 0.21 0.00 -2.27 0.00 0.00 64.05 61.04 1wgg n THR 26 Cb 0.55 -0.74 0.72 0.00 -2.10 0.00 0.00 70.33 68.76 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 -5.89 3.42 3.58 -1.96 -3.41 116.42 112.16 1wgg h ASP 27 Ca -0.49 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.47 1wgg h ASP 27 Cb 2.15 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 43.18 1wgg h ASP 27 CO 0.03 0.00 -0.18 -0.62 -2.88 0.00 0.00 179.24 175.59 1wgg n GLU 28 N -3.65 0.71 -1.55 0.28 -0.58 -1.26 -5.12 120.64 109.46 1wgg n GLU 28 Ca 0.09 -3.04 -0.30 0.00 -0.42 0.00 0.00 57.16 53.49 1wgg n GLU 28 Cb 0.72 0.14 0.10 0.00 -0.57 0.00 0.00 31.44 31.83 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 -4.18 1.80 0.20 3.49 0.04 -1.26 -4.85 135.00 130.24 1wgg s PRO 29 Ca 0.38 0.53 0.24 0.00 0.04 0.00 0.00 61.00 62.20 1wgg s PRO 29 Cb -0.03 -1.89 0.90 0.00 0.04 0.00 0.00 34.50 33.52 1wgg s PRO 29 CO 0.24 -1.79 1.74 -0.35 0.04 0.00 0.00 177.00 176.88 1wgg n PRO 30 N -3.53 0.20 -0.23 0.56 -0.04 -1.26 -3.10 135.00 127.59 1wgg n PRO 30 Ca 0.07 0.29 -0.03 0.00 -0.04 0.00 0.00 63.50 63.79 1wgg n PRO 30 Cb 0.57 -1.79 0.14 0.00 -0.04 0.00 0.00 33.50 32.38 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 1.05 0.57 0.54 2.86 -1.92 -2.47 114.93 115.55 1wgg h MET 31 Ca 0.00 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 1wgg h MET 31 Cb 0.53 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1wgg h MET 31 CO 0.00 0.83 -0.42 0.28 1.06 0.00 0.00 176.91 178.66 1wgg h VAL 32 N 1.03 0.00 -1.05 -2.22 2.07 -1.94 0.95 116.25 115.10 1wgg h VAL 32 Ca 0.25 0.00 0.29 0.00 0.82 0.00 0.00 66.70 68.06 1wgg h VAL 32 Cb 0.16 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.81 1wgg h VAL 32 CO -0.03 0.00 0.64 0.15 0.02 0.00 0.00 177.57 178.36 1wgg h PHE 33 N -0.95 0.83 0.00 1.57 3.57 -1.71 1.56 116.94 121.81 1wgg h PHE 33 Ca -0.07 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.32 1wgg h PHE 33 Cb 0.78 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1wgg h PHE 33 CO -0.13 -0.03 -0.66 0.87 -2.23 0.00 0.00 178.31 176.13 1wgg h LYS 34 N 0.40 0.00 -0.18 1.11 1.57 -0.90 -2.61 116.57 115.96 1wgg h LYS 34 Ca 0.67 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.38 1wgg h LYS 34 Cb 1.57 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.87 1wgg h LYS 34 CO -0.45 0.66 -0.18 0.00 -0.57 0.00 0.00 179.45 178.91 1wgg h ALA 35 N 1.34 1.35 0.01 3.86 0.00 1.00 -2.37 119.26 124.45 1wgg h ALA 35 Ca -0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1wgg h ALA 35 Cb 1.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1wgg h ALA 35 CO 0.09 0.44 -0.00 0.37 0.00 0.00 0.00 179.25 180.14 1wgg h GLN 36 N 0.29 -0.01 -1.10 0.00 4.15 -0.95 -3.20 115.11 114.29 1wgg h GLN 36 Ca 0.05 0.00 0.30 0.00 0.77 0.00 0.00 58.65 59.77 1wgg h GLN 36 Cb 0.49 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.11 1wgg h GLN 36 CO 0.03 0.75 0.74 -0.07 -1.93 0.00 0.00 178.83 178.34 1wgg h LEU 37 N -0.79 0.28 -1.69 -2.39 3.38 -1.34 1.14 115.31 113.89 1wgg h LEU 37 Ca -0.00 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1wgg h LEU 37 Cb 0.76 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1wgg h LEU 37 CO 0.00 0.04 0.28 0.15 0.09 0.00 0.00 178.44 179.00 1wgg h PHE 38 N 0.24 0.38 0.00 1.13 3.57 -1.42 1.81 116.94 122.65 1wgg h PHE 38 Ca 0.59 0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.10 1wgg h PHE 38 Cb 1.81 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.42 1wgg h PHE 38 CO -0.00 0.22 -0.77 0.00 -2.23 0.00 0.00 178.31 175.53 1wgg n ALA 39 N -2.51 3.47 -0.00 2.41 0.00 0.38 -1.24 120.51 123.01 1wgg n ALA 39 Ca 0.05 -0.37 -0.21 0.00 0.00 0.00 0.00 53.44 52.91 1wgg n ALA 39 Cb 0.20 -1.05 -0.14 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.80 2.63 -0.03 0.00 4.77 0.39 -4.76 117.00 118.21 1wgg n LEU 40 Ca 0.04 0.19 -0.04 0.00 -0.03 0.00 0.00 56.01 56.17 1wgg n LEU 40 Cb 0.39 -1.09 -0.01 0.00 -2.33 0.00 0.00 43.42 40.38 1wgg n LEU 40 CO 0.38 0.85 -0.31 0.35 -1.33 0.00 0.00 177.39 177.34 1wgg n THR 41 N -3.46 1.00 0.00 -5.08 -2.24 0.59 -5.05 114.28 100.04 1wgg n THR 41 Ca -0.33 0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1wgg n THR 41 Cb 1.04 -1.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 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 2.23 0.85 3.77 3.38 0.00 -0.37 -5.00 105.19 110.04 1wgg n GLY 42 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.74 4.36 0.76 1.61 1.01 -1.26 -4.70 120.40 121.44 1wgg s VAL 43 Ca 0.00 1.72 -0.16 0.00 0.00 0.00 0.00 61.98 63.55 1wgg s VAL 43 Cb 0.00 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1wgg s VAL 43 CO 0.00 0.52 0.39 0.00 0.00 0.00 0.00 175.10 176.01 1wgg n GLN 44 N 1.61 0.18 0.04 2.72 3.00 -1.26 -4.03 117.38 119.64 1wgg n GLN 44 Ca -0.05 0.10 0.11 0.00 -0.01 0.00 0.00 57.00 57.14 1wgg n GLN 44 Cb 0.49 -1.73 0.46 0.00 0.00 0.00 0.00 30.24 29.45 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 -0.53 0.09 -0.09 -1.09 -0.04 -1.26 -0.39 135.00 131.68 1wgg n PRO 45 Ca 0.09 0.20 -0.23 0.00 -0.04 0.00 0.00 63.50 63.52 1wgg n PRO 45 Cb 0.51 -1.63 -0.12 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.60 0.85 0.05 0.55 0.00 -1.26 -4.29 120.51 114.80 1wgg n ALA 46 Ca 0.05 -0.57 -0.08 0.00 0.00 0.00 0.00 53.44 52.84 1wgg n ALA 46 Cb 0.28 -0.51 0.08 0.00 0.00 0.00 0.00 19.45 19.30 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 -0.82 0.40 -5.36 0.00 -0.00 -1.91 -3.42 114.38 103.27 1wgg h ARG 47 Ca -0.40 -0.28 -0.43 0.00 -0.50 0.00 0.00 59.98 58.38 1wgg h ARG 47 Cb 1.46 0.04 -0.03 0.00 0.00 0.00 0.00 29.97 31.44 1wgg h ARG 47 CO -0.19 0.89 1.56 1.04 0.00 0.00 0.00 179.97 183.27 1wgg n GLN 48 N -3.90 0.61 -2.27 0.04 6.02 0.48 -4.80 117.38 113.54 1wgg n GLN 48 Ca -0.03 -0.08 -0.35 0.00 -0.01 0.00 0.00 57.00 56.53 1wgg n GLN 48 Cb 0.63 -2.72 -0.04 0.00 1.02 0.00 0.00 30.24 29.13 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 8.51 2.97 -0.49 -1.09 2.20 -0.75 -4.88 119.74 126.21 1wgg s LYS 49 Ca 1.12 -0.37 -0.24 0.00 -0.36 0.00 0.00 55.97 56.11 1wgg s LYS 49 Cb -0.56 -4.91 0.03 0.00 -1.51 0.00 0.00 37.83 30.89 1wgg s LYS 49 CO 0.34 -2.74 0.90 0.08 -0.36 0.00 0.00 175.35 173.56 1wgg s VAL 50 N 7.76 4.49 0.78 4.02 1.01 -1.26 -2.33 120.40 134.86 1wgg s VAL 50 Ca 0.57 0.51 -0.10 0.00 0.00 0.00 0.00 61.98 62.96 1wgg s VAL 50 Cb -0.06 -4.44 0.08 0.00 0.00 0.00 0.00 36.38 31.96 1wgg s VAL 50 CO 0.02 -0.90 1.12 -0.04 0.00 0.00 0.00 175.10 175.30 1wgg s MET 51 N 3.70 1.95 0.08 2.72 -1.94 0.88 -1.71 119.30 124.99 1wgg s MET 51 Ca 0.33 -0.10 0.02 0.00 -1.71 0.00 0.00 55.69 54.23 1wgg s MET 51 Cb -0.11 -2.04 -0.04 0.00 2.01 0.00 0.00 34.83 34.65 1wgg s MET 51 CO 0.23 -1.51 -0.07 0.08 -0.01 0.00 0.00 175.02 173.74 1wgg s VAL 52 N -3.46 0.66 0.18 -6.03 1.01 0.55 -4.17 120.40 109.14 1wgg s VAL 52 Ca 0.62 -1.64 0.03 0.00 0.00 0.00 0.00 61.98 60.99 1wgg s VAL 52 Cb -0.10 -1.31 0.23 0.00 0.00 0.00 0.00 36.38 35.20 1wgg s VAL 52 CO 0.47 -0.69 0.89 0.29 0.00 0.00 0.00 175.10 176.07 1wgg n LYS 53 N 0.49 -0.04 -2.70 2.72 4.76 -1.26 -2.07 118.16 120.05 1wgg n LYS 53 Ca -0.16 0.84 -0.05 0.00 -2.87 0.00 0.00 58.31 56.07 1wgg n LYS 53 Cb 0.59 -1.36 0.10 0.00 -1.84 0.00 0.00 35.03 32.51 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 -1.27 1.63 1.25 0.72 0.00 -1.26 -5.13 105.19 101.13 1wgg n GLY 54 Ca 0.15 -0.47 0.01 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.78 0.46 3.27 -0.02 0.00 -0.88 -5.17 105.19 102.08 1wgg n GLY 55 Ca -0.04 -0.89 -0.28 0.00 0.00 0.00 0.00 46.02 44.81 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 1.81 -0.18 2.61 2.01 -1.26 0.20 115.64 118.75 1wgg s THR 56 Ca 0.10 -1.17 -0.26 0.00 0.31 0.00 0.00 61.69 60.67 1wgg s THR 56 Cb -0.00 -1.55 -0.01 0.00 0.01 0.00 0.00 72.50 70.95 1wgg s THR 56 CO -0.00 0.34 0.88 -0.22 -0.69 0.00 0.00 174.62 174.92 1wgg s LEU 57 N -0.99 4.16 0.87 4.42 0.20 -0.69 -4.91 118.68 121.74 1wgg s LEU 57 Ca 0.09 1.22 -0.13 0.00 0.69 0.00 0.00 54.13 56.00 1wgg s LEU 57 Cb -0.09 -3.30 0.13 0.00 -0.43 0.00 0.00 46.19 42.50 1wgg s LEU 57 CO 0.01 -0.45 1.23 -0.54 -0.29 0.00 0.00 176.35 176.31 1wgg s LYS 58 N 2.35 1.42 -0.47 1.98 1.02 -1.26 -4.76 119.74 120.01 1wgg s LYS 58 Ca 0.40 -0.14 0.03 0.00 0.02 0.00 0.00 55.97 56.28 1wgg s LYS 58 Cb -0.16 -1.92 0.13 0.00 -0.52 0.00 0.00 37.83 35.36 1wgg s LYS 58 CO 0.12 -1.92 0.24 0.16 -0.92 0.00 0.00 175.35 173.02 1wgg s ASP 59 N -4.71 3.93 0.00 2.83 1.47 -1.26 -4.60 116.67 114.34 1wgg s ASP 59 Ca 0.67 -2.77 0.00 0.00 1.18 0.00 0.00 52.55 51.63 1wgg s ASP 59 Cb -0.08 -1.28 0.00 0.00 -0.34 0.00 0.00 42.92 41.22 1wgg s ASP 59 CO 0.50 -0.25 0.00 0.47 0.68 0.00 0.00 175.17 176.57 1wgg n ASP 60 N 3.39 0.00 -3.68 2.11 8.00 -1.26 -4.97 116.55 120.13 1wgg n ASP 60 Ca 0.07 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.47 1wgg n ASP 60 Cb 0.34 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.34 1wgg n ASP 60 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1wgg s ASP 61 N 0.00 -0.63 0.03 -2.24 1.11 -1.26 -4.79 116.67 108.89 1wgg s ASP 61 Ca 0.00 1.07 -0.29 0.00 0.18 0.00 0.00 52.55 53.52 1wgg s ASP 61 Cb 0.00 0.98 -0.16 0.00 1.07 0.00 0.00 42.92 44.81 1wgg s ASP 61 CO 0.00 -0.20 1.24 -0.50 1.18 0.00 0.00 175.17 176.89 1wgg h TRP 62 N 6.73 -0.96 0.00 4.23 4.06 -1.88 -3.41 115.95 124.72 1wgg h TRP 62 Ca -0.33 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.59 1wgg h TRP 62 Cb 1.19 0.32 0.00 0.00 -1.00 0.00 0.00 29.16 29.67 1wgg h TRP 62 CO 0.23 -0.60 0.00 0.41 -3.56 0.00 0.00 178.44 174.92 1wgg n GLY 63 N -0.97 -1.99 2.59 1.49 0.00 -1.26 -4.51 105.19 100.54 1wgg n GLY 63 Ca -0.13 -1.92 -0.26 0.00 0.00 0.00 0.00 46.02 43.71 1wgg n GLY 63 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wgg n ASN 64 N 0.19 5.39 -4.81 1.61 4.13 -1.26 -4.85 115.26 115.66 1wgg n ASN 64 Ca 0.00 -2.39 -0.36 0.00 1.68 0.00 0.00 54.58 53.51 1wgg n ASN 64 Cb 0.00 -1.18 -0.07 0.00 -1.54 0.00 0.00 39.78 36.99 1wgg n ASN 64 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1wgg s ILE 65 N 3.30 5.07 -0.44 2.41 1.01 -1.26 -5.06 121.20 126.22 1wgg s ILE 65 Ca 0.45 0.00 -0.22 0.00 0.00 0.00 0.00 60.65 60.89 1wgg s ILE 65 Cb 0.12 -3.20 0.02 0.00 0.01 0.00 0.00 42.46 39.41 1wgg s ILE 65 CO -0.03 0.59 0.73 -0.75 0.00 0.00 0.00 174.94 175.48 1wgg s LYS 66 N -1.07 3.37 0.07 2.79 2.20 -1.26 -5.04 119.74 120.81 1wgg s LYS 66 Ca 0.15 -0.19 0.04 0.00 -0.36 0.00 0.00 55.97 55.62 1wgg s LYS 66 Cb -0.12 -3.94 -0.04 0.00 -1.51 0.00 0.00 37.83 32.22 1wgg s LYS 66 CO 0.05 -1.07 0.01 -1.64 -0.36 0.00 0.00 175.35 172.33 1wgg s MET 67 N 3.11 2.61 0.08 4.03 -1.94 -1.26 -5.05 119.30 120.89 1wgg s MET 67 Ca 0.27 -0.79 -0.18 0.00 -1.71 0.00 0.00 55.69 53.29 1wgg s MET 67 Cb -0.13 -2.58 0.04 0.00 2.01 0.00 0.00 34.83 34.17 1wgg s MET 67 CO 0.21 0.56 0.43 -1.59 -0.01 0.00 0.00 175.02 174.62 1wgg s LYS 68 N -2.18 1.01 -0.27 2.03 -2.85 -1.26 -5.14 119.74 111.09 1wgg s LYS 68 Ca 0.25 -0.50 -0.19 0.00 -1.00 0.00 0.00 55.97 54.53 1wgg s LYS 68 Cb -0.12 0.45 -0.02 0.00 -2.06 0.00 0.00 37.83 36.08 1wgg s LYS 68 CO 0.17 -0.38 0.57 0.54 0.10 0.00 0.00 175.35 176.35 1wgg s ASN 69 N -2.37 6.49 0.00 0.03 2.20 -1.26 -4.01 114.94 116.02 1wgg s ASN 69 Ca -0.01 0.57 0.00 0.00 -0.94 0.00 0.00 52.86 52.47 1wgg s ASN 69 Cb 0.00 -2.31 0.00 0.00 -2.00 0.00 0.00 41.25 36.95 1wgg s ASN 69 CO -0.07 -0.34 0.00 0.61 -2.94 0.00 0.00 177.10 174.36 1wgg n GLY 70 N 4.32 3.88 3.21 0.45 0.00 0.22 -4.89 105.19 112.39 1wgg n GLY 70 Ca -0.02 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.27 -5.19 1.61 0.00 -1.26 -4.67 117.12 106.35 1wgg n MET 71 Ca 0.00 -0.36 -0.32 0.00 0.00 0.00 0.00 57.70 57.03 1wgg n MET 71 Cb 0.00 -1.54 -0.15 0.00 0.00 0.00 0.00 33.22 31.53 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 -2.18 2.31 -0.20 3.17 2.01 -1.26 -2.54 115.64 116.96 1wgg s THR 72 Ca 0.51 -1.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.45 1wgg s THR 72 Cb -0.07 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 1wgg s THR 72 CO 0.66 0.58 0.04 -0.69 -0.69 0.00 0.00 174.62 174.52 1wgg s VAL 73 N -0.50 4.39 -0.21 3.82 1.01 0.54 -4.68 120.40 124.76 1wgg s VAL 73 Ca 0.07 -0.17 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 1wgg s VAL 73 Cb -0.11 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 1wgg s VAL 73 CO 0.01 0.43 0.14 -0.22 0.00 0.00 0.00 175.10 175.46 1wgg s LEU 74 N 0.76 4.16 0.10 3.92 1.98 -1.26 0.01 118.68 128.35 1wgg s LEU 74 Ca 0.02 0.18 0.09 0.00 -2.89 0.00 0.00 54.13 51.53 1wgg s LEU 74 Cb -0.14 -2.09 -0.04 0.00 0.66 0.00 0.00 46.19 44.58 1wgg s LEU 74 CO 0.02 0.14 -0.20 -0.32 -1.89 0.00 0.00 176.35 174.10 1wgg s MET 75 N 0.60 1.79 -0.02 1.98 -2.45 -0.47 -0.08 119.30 120.64 1wgg s MET 75 Ca 0.08 -1.16 -0.02 0.00 -1.25 0.00 0.00 55.69 53.34 1wgg s MET 75 Cb -0.12 -2.09 0.01 0.00 1.25 0.00 0.00 34.83 33.88 1wgg s MET 75 CO 0.00 0.49 0.06 -1.64 1.05 0.00 0.00 175.02 174.98 1wgg s MET 76 N -1.94 0.05 0.00 4.11 -1.94 -0.99 -4.51 119.30 114.09 1wgg s MET 76 Ca 0.16 0.10 0.00 0.00 -1.71 0.00 0.00 55.69 54.25 1wgg s MET 76 Cb -0.10 -0.01 0.00 0.00 2.01 0.00 0.00 34.83 36.73 1wgg s MET 76 CO 0.08 -0.03 0.00 0.41 -0.01 0.00 0.00 175.02 175.47 1wgg n GLY 77 N 3.23 2.62 3.25 -0.03 0.00 -1.26 -1.81 105.19 111.20 1wgg n GLY 77 Ca -0.15 -1.83 -0.14 0.00 0.00 0.00 0.00 46.02 43.90 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 1.53 -0.73 1.61 0.01 -1.26 -4.98 113.70 109.88 1wgg s SER 78 Ca 0.00 -1.11 0.04 0.00 1.31 0.00 0.00 55.95 56.19 1wgg s SER 78 Cb 0.00 0.05 0.26 0.00 0.21 0.00 0.00 66.02 66.54 1wgg s SER 78 CO 0.00 -0.46 0.88 0.00 0.41 0.00 0.00 173.24 174.07 1wgg n ALA 79 N -0.24 4.26 -2.10 1.44 0.00 -1.26 -4.73 120.51 117.87 1wgg n ALA 79 Ca -0.08 -4.77 -0.36 0.00 0.00 0.00 0.00 53.44 48.23 1wgg n ALA 79 Cb 0.62 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 1wgg n ALA 79 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1wgg s ASP 80 N -2.26 5.36 0.17 0.00 -4.77 -1.26 -4.93 116.67 108.98 1wgg s ASP 80 Ca 0.37 -0.04 0.07 0.00 -3.30 0.00 0.00 52.55 49.65 1wgg s ASP 80 Cb 0.12 -2.54 -0.04 0.00 -1.09 0.00 0.00 42.92 39.36 1wgg s ASP 80 CO 0.00 -2.39 -0.14 0.00 0.70 0.00 0.00 175.17 173.34 1wgg s ALA 81 N 8.90 1.80 -0.23 2.11 0.00 -1.26 -5.09 121.76 128.00 1wgg s ALA 81 Ca 0.64 -1.54 -0.29 0.00 0.00 0.00 0.00 51.96 50.78 1wgg s ALA 81 Cb -0.10 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1wgg s ALA 81 CO 0.14 0.06 1.87 -0.51 0.00 0.00 0.00 175.76 177.31 1wgg s LEU 82 N -3.06 3.71 -0.15 0.00 1.43 -1.26 -4.93 118.68 114.42 1wgg s LEU 82 Ca 0.18 1.71 -0.29 0.00 -1.03 0.00 0.00 54.13 54.69 1wgg s LEU 82 Cb -0.01 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.67 1wgg s LEU 82 CO 0.05 -1.56 1.27 -2.16 0.23 0.00 0.00 176.35 174.18 1wgg s PRO 83 N 5.40 4.24 -0.28 1.29 0.04 -1.26 -4.91 135.00 139.52 1wgg s PRO 83 Ca 0.84 1.68 0.09 0.00 0.04 0.00 0.00 61.00 63.65 1wgg s PRO 83 Cb -0.28 -3.75 0.46 0.00 0.04 0.00 0.00 34.50 30.97 1wgg s PRO 83 CO 0.34 -0.69 1.19 -0.85 0.04 0.00 0.00 177.00 177.02 1wgg n GLU 84 N 6.50 3.24 -0.04 4.56 0.28 -1.26 -4.78 120.64 129.15 1wgg n GLU 84 Ca 0.14 -4.02 -0.09 0.00 -0.16 0.00 0.00 57.16 53.03 1wgg n GLU 84 Cb 0.45 -2.14 -0.08 0.00 1.43 0.00 0.00 31.44 31.09 1wgg n GLU 84 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1wgg h GLU 85 N 2.10 -0.04 -7.41 3.44 5.08 -2.02 -3.46 114.58 112.26 1wgg h GLU 85 Ca 0.29 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 58.16 1wgg h GLU 85 Cb 1.47 0.01 0.11 0.00 0.50 0.00 0.00 28.75 30.84 1wgg h GLU 85 CO 0.64 0.54 0.34 -1.25 -1.00 0.00 0.00 179.01 178.28 1wgg s PRO 86 N -2.33 2.06 -0.28 2.33 0.04 -1.26 -5.03 135.00 130.54 1wgg s PRO 86 Ca -0.12 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 61.43 1wgg s PRO 86 Cb -0.01 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 1wgg s PRO 86 CO 0.45 -1.63 0.24 -1.54 0.04 0.00 0.00 177.00 174.56 1wgg s SER 87 N -3.90 6.08 0.00 6.66 1.04 -1.26 -5.00 113.70 117.32 1wgg s SER 87 Ca 0.61 0.07 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1wgg s SER 87 Cb -0.14 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1wgg s SER 87 CO 0.54 -0.08 0.99 0.00 0.98 0.00 0.00 173.24 175.67 1wgg n ALA 88 N 5.12 -0.36 -1.55 5.32 0.00 -1.26 -4.11 120.51 123.67 1wgg n ALA 88 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 1wgg n ALA 88 Cb 0.52 0.13 -0.04 0.00 0.00 0.00 0.00 19.45 20.06 1wgg n ALA 88 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wgg n LYS 89 N -2.23 0.90 -4.27 0.00 5.02 -1.26 -4.91 118.16 111.41 1wgg n LYS 89 Ca 0.00 -0.24 -0.27 0.00 -2.02 0.00 0.00 58.31 55.78 1wgg n LYS 89 Cb 0.00 -3.51 -0.09 0.00 -0.02 0.00 0.00 35.03 31.41 1wgg n LYS 89 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1wgg s THR 90 N 12.97 3.26 -0.63 -0.18 2.01 -1.26 -5.06 115.64 126.74 1wgg s THR 90 Ca 0.97 -1.58 -0.27 0.00 0.31 0.00 0.00 61.69 61.12 1wgg s THR 90 Cb -0.17 -2.60 -0.00 0.00 0.01 0.00 0.00 72.50 69.74 1wgg s THR 90 CO 0.21 -0.08 1.64 -0.55 -0.69 0.00 0.00 174.62 175.16 1wgg s SER 91 N -2.74 5.64 0.00 3.53 0.15 -1.26 -4.79 113.70 114.22 1wgg s SER 91 Ca 0.24 0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1wgg s SER 91 Cb -0.09 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1wgg s SER 91 CO 0.15 -2.13 0.00 0.61 1.20 0.00 0.00 173.24 173.07 1wgg n GLY 92 N 5.55 4.48 0.12 9.45 0.00 -1.26 -5.03 105.19 118.50 1wgg n GLY 92 Ca 0.15 -0.74 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 1wgg n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgg h PRO 93 N 0.00 0.27 -5.74 1.61 0.13 -2.05 -3.43 132.00 122.79 1wgg h PRO 93 Ca 0.00 -0.27 -0.59 0.00 -0.87 0.00 0.00 66.00 64.28 1wgg h PRO 93 Cb 0.00 0.07 -0.09 0.00 0.13 0.00 0.00 31.00 31.11 1wgg h PRO 93 CO 0.00 0.96 0.09 0.45 -0.23 0.00 0.00 178.00 179.26 1wgg s SER 94 N -6.43 6.74 -0.23 1.44 0.15 -1.26 -5.03 113.70 109.08 1wgg s SER 94 Ca -0.15 0.90 -0.26 0.00 0.70 0.00 0.00 55.95 57.14 1wgg s SER 94 Cb 0.02 -2.35 0.10 0.00 -1.71 0.00 0.00 66.02 62.08 1wgg s SER 94 CO 0.77 -0.22 0.88 -0.55 1.20 0.00 0.00 173.24 175.33 1wgg s SER 95 N 1.06 -0.56 0.00 5.45 0.15 -1.26 -5.11 113.70 113.42 1wgg s SER 95 Ca 0.30 0.97 0.00 0.00 0.70 0.00 0.00 55.95 57.93 1wgg s SER 95 Cb -0.16 0.95 0.00 0.00 -1.71 0.00 0.00 66.02 65.10 1wgg s SER 95 CO 0.12 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.90