#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 0.00 -4.64 1.61 2.88 -1.26 -5.12 113.62 107.09 1wgg n SER 2 Ca 0.00 0.00 -0.59 0.00 -1.33 0.00 0.00 58.87 56.95 1wgg n SER 2 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1wgg n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wgg n SER 3 N 0.00 1.31 -4.12 -3.46 2.88 -1.26 -4.94 113.62 104.03 1wgg n SER 3 Ca 0.00 1.14 -0.21 0.00 -1.33 0.00 0.00 58.87 58.47 1wgg n SER 3 Cb 0.00 -1.03 -0.14 0.00 -0.75 0.00 0.00 64.21 62.29 1wgg n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wgg s GLY 4 N 1.78 0.73 0.00 0.46 0.00 -1.26 -4.96 107.32 104.06 1wgg s GLY 4 Ca 0.95 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.96 1wgg s GLY 4 CO 0.63 -0.64 0.00 -1.26 0.00 0.00 0.00 173.10 171.83 1wgg n SER 5 N 2.32 0.00 -3.05 1.64 2.88 -1.26 -5.08 113.62 111.07 1wgg n SER 5 Ca -0.16 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.41 1wgg n SER 5 Cb 0.55 0.21 -0.00 0.00 -0.75 0.00 0.00 64.21 64.22 1wgg n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wgg s SER 6 N -1.85 -0.85 -0.09 -3.46 0.01 -1.26 -5.04 113.70 101.15 1wgg s SER 6 Ca 0.00 -0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.09 1wgg s SER 6 Cb 0.00 1.30 0.03 0.00 0.21 0.00 0.00 66.02 67.56 1wgg s SER 6 CO 0.00 -0.13 -0.03 -0.83 0.41 0.00 0.00 173.24 172.67 1wgg s GLY 7 N 2.40 0.62 0.30 3.44 0.00 -1.26 -3.34 107.32 109.47 1wgg s GLY 7 Ca 0.18 -0.30 0.07 0.00 0.00 0.00 0.00 44.72 44.66 1wgg s GLY 7 CO -0.18 1.02 0.32 -0.19 0.00 0.00 0.00 173.10 174.07 1wgg s TYR 8 N 1.87 3.09 -0.10 1.90 1.51 0.50 -4.96 117.35 121.15 1wgg s TYR 8 Ca 0.05 -0.19 -0.00 0.00 -1.01 0.00 0.00 57.07 55.92 1wgg s TYR 8 Cb -0.12 -1.71 0.02 0.00 -0.11 0.00 0.00 41.96 40.04 1wgg s TYR 8 CO -0.06 0.27 -0.07 -1.12 -1.11 0.00 0.00 175.55 173.45 1wgg s SER 9 N -4.00 2.04 0.37 2.29 0.01 -1.26 -0.78 113.70 112.37 1wgg s SER 9 Ca 0.39 -0.27 0.04 0.00 1.31 0.00 0.00 55.95 57.42 1wgg s SER 9 Cb -0.08 -0.78 -0.05 0.00 0.21 0.00 0.00 66.02 65.33 1wgg s SER 9 CO 0.28 -0.12 0.07 0.68 0.41 0.00 0.00 173.24 174.56 1wgg s VAL 10 N 1.66 1.08 -0.23 3.43 -7.23 -1.24 0.20 120.40 118.07 1wgg s VAL 10 Ca 0.03 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.16 1wgg s VAL 10 Cb -0.13 -2.64 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 1wgg s VAL 10 CO -0.07 0.00 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.82 1wgg s THR 11 N -3.20 3.60 -0.19 5.32 2.01 -0.71 -2.37 115.64 120.10 1wgg s THR 11 Ca 0.31 -0.41 -0.20 0.00 0.31 0.00 0.00 61.69 61.69 1wgg s THR 11 Cb 0.07 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 1wgg s THR 11 CO 0.14 0.40 0.61 -0.69 -0.69 0.00 0.00 174.62 174.40 1wgg s VAL 12 N 1.51 5.03 -0.29 3.82 1.01 -0.20 0.21 120.40 131.49 1wgg s VAL 12 Ca 0.06 1.16 -0.02 0.00 0.00 0.00 0.00 61.98 63.17 1wgg s VAL 12 Cb -0.14 -3.93 0.04 0.00 0.00 0.00 0.00 36.38 32.34 1wgg s VAL 12 CO -0.02 0.12 -0.01 -0.75 0.00 0.00 0.00 175.10 174.45 1wgg s LYS 13 N 1.84 2.60 -0.32 2.72 2.20 0.39 -1.32 119.74 127.85 1wgg s LYS 13 Ca 0.28 -1.15 0.02 0.00 -0.36 0.00 0.00 55.97 54.77 1wgg s LYS 13 Cb -0.16 -3.16 0.10 0.00 -1.51 0.00 0.00 37.83 33.10 1wgg s LYS 13 CO 0.10 -0.55 0.05 -0.46 -0.36 0.00 0.00 175.35 174.14 1wgg s TRP 14 N 1.30 3.09 0.00 4.03 -0.00 -0.82 -2.32 118.94 124.23 1wgg s TRP 14 Ca -0.03 -2.55 0.00 0.00 -0.00 0.00 0.00 56.10 53.52 1wgg s TRP 14 Cb -0.19 -2.47 0.00 0.00 -0.00 0.00 0.00 33.47 30.81 1wgg s TRP 14 CO -0.02 -0.92 0.00 0.41 -0.00 0.00 0.00 176.95 176.43 1wgg n GLY 15 N 4.45 2.10 0.31 5.86 0.00 -1.26 0.18 105.19 116.84 1wgg n GLY 15 Ca 0.01 0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.10 1wgg n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wgg h LYS 16 N 0.00 0.53 -6.95 1.61 1.57 -2.02 -3.42 116.57 107.89 1wgg h LYS 16 Ca 0.00 -0.03 -0.52 0.00 -1.87 0.00 0.00 60.65 58.22 1wgg h LYS 16 Cb 0.00 -0.12 0.08 0.00 0.08 0.00 0.00 32.23 32.27 1wgg h LYS 16 CO 0.00 0.35 0.60 -1.21 -0.57 0.00 0.00 179.45 178.62 1wgg s GLU 17 N -5.49 3.95 -0.01 3.15 0.41 0.48 -5.03 118.70 116.16 1wgg s GLU 17 Ca -0.08 2.12 0.01 0.00 -0.41 0.00 0.00 54.97 56.60 1wgg s GLU 17 Cb 0.18 -2.73 0.01 0.00 -1.78 0.00 0.00 34.13 29.81 1wgg s GLU 17 CO 0.73 -0.50 -0.01 0.21 -0.49 0.00 0.00 175.26 175.20 1wgg s LYS 18 N -2.28 0.20 -0.16 1.61 2.20 -1.26 -1.95 119.74 118.10 1wgg s LYS 18 Ca 0.57 -0.03 -0.04 0.00 -0.36 0.00 0.00 55.97 56.11 1wgg s LYS 18 Cb -0.37 -0.25 0.05 0.00 -1.51 0.00 0.00 37.83 35.76 1wgg s LYS 18 CO 0.48 -0.00 0.07 -0.06 -0.36 0.00 0.00 175.35 175.47 1wgg s PHE 19 N 0.24 0.43 -0.17 4.03 0.08 -0.43 -5.01 117.98 117.16 1wgg s PHE 19 Ca -0.02 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 56.63 1wgg s PHE 19 Cb -0.04 -0.77 -0.01 0.00 -0.57 0.00 0.00 43.02 41.63 1wgg s PHE 19 CO -0.01 -0.49 -0.10 -1.21 -0.10 0.00 0.00 175.22 173.31 1wgg s GLU 20 N 2.06 3.35 0.00 0.44 2.02 -1.26 -1.03 118.70 124.27 1wgg s GLU 20 Ca 0.02 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.33 1wgg s GLU 20 Cb -0.16 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.30 1wgg s GLU 20 CO -0.08 0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.63 1wgg n GLY 21 N 4.10 0.66 3.88 -1.39 0.00 -1.25 -5.05 105.19 106.14 1wgg n GLY 21 Ca -0.18 -0.36 -0.30 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 -1.96 4.89 -0.48 1.61 1.01 -1.00 -5.00 120.40 119.48 1wgg s VAL 22 Ca 0.00 0.40 -0.19 0.00 0.00 0.00 0.00 61.98 62.19 1wgg s VAL 22 Cb 0.00 -3.71 0.04 0.00 0.00 0.00 0.00 36.38 32.71 1wgg s VAL 22 CO 0.00 -0.37 0.60 -1.61 0.00 0.00 0.00 175.10 173.71 1wgg s GLU 23 N -3.57 3.16 -0.03 2.72 2.02 -1.26 -3.71 118.70 118.02 1wgg s GLU 23 Ca 0.48 -0.74 0.07 0.00 0.02 0.00 0.00 54.97 54.80 1wgg s GLU 23 Cb -0.11 -4.04 -0.02 0.00 0.10 0.00 0.00 34.13 30.07 1wgg s GLU 23 CO 0.29 -1.11 -0.24 -1.17 0.02 0.00 0.00 175.26 173.05 1wgg s LEU 24 N 2.60 2.17 -0.01 1.80 2.96 0.04 -4.85 118.68 123.39 1wgg s LEU 24 Ca 0.16 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.68 1wgg s LEU 24 Cb -0.18 -1.38 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 1wgg s LEU 24 CO 0.14 0.31 -0.13 0.20 -1.32 0.00 0.00 176.35 175.55 1wgg s ASN 25 N -0.56 1.55 -0.20 3.68 -0.87 -1.26 0.19 114.94 117.47 1wgg s ASN 25 Ca 0.08 -0.24 0.10 0.00 -1.57 0.00 0.00 52.86 51.23 1wgg s ASN 25 Cb -0.11 -0.22 -0.22 0.00 -0.02 0.00 0.00 41.25 40.68 1wgg s ASN 25 CO -0.00 0.15 0.04 0.35 -2.57 0.00 0.00 177.10 175.07 1wgg n THR 26 N 2.85 1.48 0.02 1.60 -2.24 -1.21 -4.18 114.28 112.60 1wgg n THR 26 Ca -0.15 -0.73 0.22 0.00 -2.27 0.00 0.00 64.05 61.12 1wgg n THR 26 Cb 0.55 -0.96 0.70 0.00 -2.10 0.00 0.00 70.33 68.52 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 0.01 0.00 -6.03 3.42 3.58 -1.97 -3.41 116.42 112.03 1wgg h ASP 27 Ca -0.53 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 56.41 1wgg h ASP 27 Cb 2.08 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 43.12 1wgg h ASP 27 CO -0.01 0.00 -0.18 -0.62 -2.88 0.00 0.00 179.24 175.55 1wgg n GLU 28 N -3.65 0.68 -1.54 0.28 -0.58 -1.26 -5.12 120.64 109.44 1wgg n GLU 28 Ca 0.11 -3.16 -0.29 0.00 -0.42 0.00 0.00 57.16 53.39 1wgg n GLU 28 Cb 0.80 0.12 0.11 0.00 -0.57 0.00 0.00 31.44 31.90 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 -4.29 1.70 0.31 3.49 0.04 -1.26 -4.77 135.00 130.20 1wgg s PRO 29 Ca 0.41 0.50 0.26 0.00 0.04 0.00 0.00 61.00 62.21 1wgg s PRO 29 Cb -0.03 -1.89 0.89 0.00 0.04 0.00 0.00 34.50 33.51 1wgg s PRO 29 CO 0.26 -1.86 1.76 -1.00 0.04 0.00 0.00 177.00 176.20 1wgg h PRO 30 N -1.26 0.00 -0.30 0.56 0.13 -1.83 -3.10 132.00 126.21 1wgg h PRO 30 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1wgg h PRO 30 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1wgg h PRO 30 CO 0.60 0.00 0.20 0.52 -0.23 0.00 0.00 178.00 179.09 1wgg h MET 31 N 0.00 0.40 0.63 0.86 2.86 -1.83 -2.12 114.93 115.73 1wgg h MET 31 Ca 0.00 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1wgg h MET 31 Cb 0.61 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.18 1wgg h MET 31 CO 0.00 0.26 -0.30 0.28 1.06 0.00 0.00 176.91 178.21 1wgg h VAL 32 N 0.41 0.00 -1.16 -2.22 2.07 -1.92 0.57 116.25 114.00 1wgg h VAL 32 Ca 0.11 -0.14 0.33 0.00 0.82 0.00 0.00 66.70 67.82 1wgg h VAL 32 Cb -0.05 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.64 1wgg h VAL 32 CO -0.02 0.00 0.78 0.15 0.02 0.00 0.00 177.57 178.49 1wgg h PHE 33 N -0.99 0.43 0.00 1.57 3.57 -1.68 1.55 116.94 121.39 1wgg h PHE 33 Ca -0.09 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.22 1wgg h PHE 33 Cb 0.65 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 1wgg h PHE 33 CO 0.05 -0.01 -0.99 0.87 -2.23 0.00 0.00 178.31 175.99 1wgg h LYS 34 N 0.21 0.00 -0.19 1.11 1.57 -1.14 -2.65 116.57 115.48 1wgg h LYS 34 Ca 0.64 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 59.34 1wgg h LYS 34 Cb 1.99 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.29 1wgg h LYS 34 CO -0.23 0.99 -0.22 0.00 -0.57 0.00 0.00 179.45 179.42 1wgg h ALA 35 N 1.00 1.27 0.06 3.86 0.00 0.77 -2.82 119.26 123.40 1wgg h ALA 35 Ca -0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1wgg h ALA 35 Cb 1.76 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1wgg h ALA 35 CO 0.13 0.48 -0.03 0.37 0.00 0.00 0.00 179.25 180.21 1wgg h GLN 36 N 0.31 -0.07 -1.47 0.00 4.15 -0.86 -3.15 115.11 114.01 1wgg h GLN 36 Ca 0.05 0.01 0.43 0.00 0.77 0.00 0.00 58.65 59.91 1wgg h GLN 36 Cb 0.57 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.20 1wgg h GLN 36 CO 0.04 0.53 1.04 -0.07 -1.93 0.00 0.00 178.83 178.44 1wgg h LEU 37 N -0.80 0.05 -0.37 -2.39 3.38 -1.39 0.89 115.31 114.69 1wgg h LEU 37 Ca -0.01 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1wgg h LEU 37 Cb 0.64 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1wgg h LEU 37 CO 0.01 -0.01 0.20 0.15 0.09 0.00 0.00 178.44 178.88 1wgg h PHE 38 N 0.03 0.38 0.00 1.13 3.04 -1.45 1.71 116.94 121.78 1wgg h PHE 38 Ca 0.72 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.69 1wgg h PHE 38 Cb 2.78 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 41.17 1wgg h PHE 38 CO -0.00 0.21 0.00 0.00 -2.02 0.00 0.00 178.31 176.50 1wgg n ALA 39 N -2.25 2.48 -0.10 2.41 0.00 0.30 -0.33 120.51 123.01 1wgg n ALA 39 Ca 0.01 -0.14 -0.23 0.00 0.00 0.00 0.00 53.44 53.07 1wgg n ALA 39 Cb 0.07 -1.49 -0.12 0.00 0.00 0.00 0.00 19.45 17.92 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 -1.28 2.33 -0.03 0.00 4.77 0.06 -4.84 117.00 118.02 1wgg n LEU 40 Ca 0.14 0.21 -0.04 0.00 -0.03 0.00 0.00 56.01 56.30 1wgg n LEU 40 Cb 0.23 -0.93 -0.01 0.00 -2.33 0.00 0.00 43.42 40.38 1wgg n LEU 40 CO 0.23 0.66 -0.28 0.35 -1.33 0.00 0.00 177.39 177.02 1wgg n THR 41 N -3.89 0.87 0.00 -5.08 -2.24 0.56 -5.05 114.28 99.45 1wgg n THR 41 Ca -0.43 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1wgg n THR 41 Cb 0.90 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 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 2.17 0.69 3.74 3.38 0.00 0.55 -4.99 105.19 110.74 1wgg n GLY 42 Ca -0.06 0.00 -0.40 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 -0.37 4.65 0.93 1.61 1.01 -1.26 -4.65 120.40 122.32 1wgg s VAL 43 Ca 0.00 1.72 -0.13 0.00 0.00 0.00 0.00 61.98 63.57 1wgg s VAL 43 Cb 0.00 -4.16 0.04 0.00 0.00 0.00 0.00 36.38 32.26 1wgg s VAL 43 CO 0.00 0.37 0.46 0.00 0.00 0.00 0.00 175.10 175.93 1wgg n GLN 44 N 2.68 -0.25 0.00 2.72 3.00 -1.26 -4.08 117.38 120.19 1wgg n GLN 44 Ca -0.02 -0.03 0.11 0.00 -0.01 0.00 0.00 57.00 57.06 1wgg n GLN 44 Cb 0.50 -1.89 0.68 0.00 0.00 0.00 0.00 30.24 29.53 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 -1.77 0.75 -0.13 -1.09 -0.04 -1.26 -0.63 135.00 130.84 1wgg n PRO 45 Ca 0.07 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.31 1wgg n PRO 45 Cb 0.53 -1.48 -0.11 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 -0.98 1.38 0.16 0.55 0.00 -1.26 -4.44 120.51 115.92 1wgg n ALA 46 Ca 0.17 -1.06 0.05 0.00 0.00 0.00 0.00 53.44 52.60 1wgg n ALA 46 Cb 0.08 0.04 0.07 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.46 0.00 -5.69 0.00 3.08 -1.88 -3.42 114.38 106.00 1wgg h ARG 47 Ca -0.61 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.14 1wgg h ARG 47 Cb 1.73 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.75 1wgg h ARG 47 CO -0.24 0.38 0.78 -0.65 -1.07 0.00 0.00 179.97 179.17 1wgg s GLN 48 N -3.03 2.37 -0.83 0.04 -0.21 0.20 -4.52 119.66 113.68 1wgg s GLN 48 Ca 0.05 0.12 -0.25 0.00 0.02 0.00 0.00 55.36 55.30 1wgg s GLN 48 Cb 0.07 -4.86 -0.03 0.00 1.00 0.00 0.00 33.01 29.20 1wgg s GLN 48 CO 0.73 -3.44 1.85 0.21 -2.12 0.00 0.00 175.29 172.51 1wgg s LYS 49 N 7.43 2.70 -0.67 2.91 2.20 -0.60 -4.85 119.74 128.86 1wgg s LYS 49 Ca 0.75 -0.13 -0.25 0.00 -0.36 0.00 0.00 55.97 55.98 1wgg s LYS 49 Cb -0.10 -4.88 0.05 0.00 -1.51 0.00 0.00 37.83 31.40 1wgg s LYS 49 CO 0.06 -3.04 1.09 0.08 -0.36 0.00 0.00 175.35 173.19 1wgg s VAL 50 N 9.13 4.09 0.90 4.02 1.01 -1.26 -2.55 120.40 135.74 1wgg s VAL 50 Ca 0.65 0.10 -0.13 0.00 0.00 0.00 0.00 61.98 62.60 1wgg s VAL 50 Cb -0.08 -4.75 0.13 0.00 0.00 0.00 0.00 36.38 31.68 1wgg s VAL 50 CO 0.05 -1.55 1.16 -0.04 0.00 0.00 0.00 175.10 174.71 1wgg s MET 51 N 4.73 1.26 0.07 2.72 -1.94 0.03 -1.33 119.30 124.83 1wgg s MET 51 Ca 0.29 0.19 0.02 0.00 -1.71 0.00 0.00 55.69 54.48 1wgg s MET 51 Cb -0.12 -1.86 -0.03 0.00 2.01 0.00 0.00 34.83 34.82 1wgg s MET 51 CO 0.14 -2.09 -0.07 0.08 -0.01 0.00 0.00 175.02 173.07 1wgg s VAL 52 N -3.39 0.59 0.24 -6.03 1.01 0.45 -4.22 120.40 109.06 1wgg s VAL 52 Ca 0.64 -1.59 0.11 0.00 0.00 0.00 0.00 61.98 61.15 1wgg s VAL 52 Cb -0.13 -1.24 0.24 0.00 0.00 0.00 0.00 36.38 35.25 1wgg s VAL 52 CO 0.52 -0.69 1.04 0.29 0.00 0.00 0.00 175.10 176.26 1wgg n LYS 53 N 0.56 -0.04 -2.69 2.72 4.76 -1.26 -2.13 118.16 120.07 1wgg n LYS 53 Ca -0.16 0.93 -0.04 0.00 -2.87 0.00 0.00 58.31 56.16 1wgg n LYS 53 Cb 0.58 -1.62 0.11 0.00 -1.84 0.00 0.00 35.03 32.26 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 -1.20 1.73 0.00 0.72 0.00 -1.26 -5.13 105.19 100.04 1wgg n GLY 54 Ca 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.03 0.74 3.23 -0.02 0.00 -0.91 -5.17 105.19 102.03 1wgg n GLY 55 Ca -0.09 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 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 1.52 0.05 2.61 2.01 -1.26 0.17 115.64 118.55 1wgg s THR 56 Ca 0.00 -1.28 -0.30 0.00 0.31 0.00 0.00 61.69 60.42 1wgg s THR 56 Cb 0.00 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 71.10 1wgg s THR 56 CO 0.00 0.04 1.13 -0.22 -0.69 0.00 0.00 174.62 174.88 1wgg s LEU 57 N -1.45 4.38 0.00 4.42 0.20 -0.45 -4.90 118.68 120.88 1wgg s LEU 57 Ca 0.05 1.91 -0.11 0.00 0.69 0.00 0.00 54.13 56.68 1wgg s LEU 57 Cb -0.09 -3.58 0.15 0.00 -0.43 0.00 0.00 46.19 42.24 1wgg s LEU 57 CO 0.02 -0.39 0.70 0.29 -0.29 0.00 0.00 176.35 176.69 1wgg n LYS 58 N 3.82 -1.46 0.00 1.98 5.02 -1.26 -4.86 118.16 121.40 1wgg n LYS 58 Ca 0.08 -1.10 0.00 0.00 -2.02 0.00 0.00 58.31 55.26 1wgg n LYS 58 Cb 0.48 -0.86 0.00 0.00 -0.02 0.00 0.00 35.03 34.62 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 -3.77 0.56 0.09 4.39 5.75 -1.26 -4.64 116.55 117.66 1wgg n ASP 59 Ca 0.09 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.74 1wgg n ASP 59 Cb 0.34 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.36 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 -0.15 -4.75 -1.12 3.32 -1.99 -3.35 116.42 108.38 1wgg h ASP 60 Ca 0.00 0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.15 1wgg h ASP 60 Cb 0.67 0.04 -0.14 0.00 0.22 0.00 0.00 39.33 40.13 1wgg h ASP 60 CO 0.00 -0.10 0.44 -1.81 -1.72 0.00 0.00 179.24 176.05 1wgg s ASP 61 N -5.06 -0.39 0.00 6.45 1.01 -1.26 -4.76 116.67 112.66 1wgg s ASP 61 Ca -0.14 -0.02 -0.15 0.00 0.71 0.00 0.00 52.55 52.95 1wgg s ASP 61 Cb 0.06 0.43 -0.08 0.00 1.01 0.00 0.00 42.92 44.34 1wgg s ASP 61 CO 0.66 -0.71 0.89 -0.50 0.21 0.00 0.00 175.17 175.71 1wgg h TRP 62 N 2.00 -0.49 -0.56 4.23 4.06 -1.90 -3.41 115.95 119.88 1wgg h TRP 62 Ca -0.24 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.69 1wgg h TRP 62 Cb 1.25 0.16 0.00 0.00 -1.00 0.00 0.00 29.16 29.58 1wgg h TRP 62 CO 0.26 -0.30 0.00 0.41 -3.56 0.00 0.00 178.44 175.24 1wgg n GLY 63 N -0.31 0.66 3.36 1.49 0.00 -1.26 -4.47 105.19 104.67 1wgg n GLY 63 Ca -0.07 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.03 -4.83 -4.79 1.61 4.13 -1.26 -4.96 115.26 105.13 1wgg n ASN 64 Ca 0.00 -0.71 -0.38 0.00 1.68 0.00 0.00 54.58 55.17 1wgg n ASN 64 Cb 0.17 -4.99 -0.06 0.00 -1.54 0.00 0.00 39.78 33.36 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 -3.40 4.34 -1.16 2.41 1.01 -1.26 -4.95 121.20 118.18 1wgg s ILE 65 Ca 0.29 1.66 -0.21 0.00 0.00 0.00 0.00 60.65 62.40 1wgg s ILE 65 Cb -0.05 -4.03 0.02 0.00 0.01 0.00 0.00 42.46 38.41 1wgg s ILE 65 CO 0.75 0.29 1.74 -0.54 0.00 0.00 0.00 174.94 177.18 1wgg s LYS 66 N -1.73 3.38 0.23 2.79 -0.14 -1.26 -4.95 119.74 118.07 1wgg s LYS 66 Ca 0.44 -1.40 -0.04 0.00 -1.36 0.00 0.00 55.97 53.61 1wgg s LYS 66 Cb -0.20 -5.37 -0.05 0.00 -1.68 0.00 0.00 37.83 30.53 1wgg s LYS 66 CO 0.24 -2.77 0.47 -1.64 -0.76 0.00 0.00 175.35 170.89 1wgg s MET 67 N 5.25 3.61 0.16 1.68 -1.94 -1.26 -5.06 119.30 121.74 1wgg s MET 67 Ca 0.57 -0.09 0.01 0.00 -1.71 0.00 0.00 55.69 54.47 1wgg s MET 67 Cb 0.01 -2.74 -0.04 0.00 2.01 0.00 0.00 34.83 34.06 1wgg s MET 67 CO 0.04 0.33 0.03 0.15 -0.01 0.00 0.00 175.02 175.55 1wgg s LYS 68 N -3.24 1.04 -0.33 2.03 1.02 -1.26 -5.13 119.74 113.87 1wgg s LYS 68 Ca 0.42 -1.50 -0.05 0.00 0.02 0.00 0.00 55.97 54.86 1wgg s LYS 68 Cb -0.11 -0.06 0.04 0.00 -0.52 0.00 0.00 37.83 37.18 1wgg s LYS 68 CO 0.28 -0.19 0.07 0.54 -0.92 0.00 0.00 175.35 175.13 1wgg s ASN 69 N -3.13 5.19 0.00 2.83 2.20 -1.26 -4.39 114.94 116.39 1wgg s ASN 69 Ca 0.24 -1.17 0.00 0.00 -0.94 0.00 0.00 52.86 50.99 1wgg s ASN 69 Cb 0.07 -1.82 0.00 0.00 -2.00 0.00 0.00 41.25 37.49 1wgg s ASN 69 CO 0.03 -0.31 0.00 0.61 -2.94 0.00 0.00 177.10 174.50 1wgg n GLY 70 N 4.76 1.48 1.13 0.45 0.00 0.52 -4.89 105.19 108.64 1wgg n GLY 70 Ca -0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.60 -4.79 1.61 0.00 -1.26 -4.58 117.12 106.49 1wgg n MET 71 Ca 0.00 -0.38 -0.27 0.00 0.00 0.00 0.00 57.70 57.05 1wgg n MET 71 Cb 0.00 -0.61 -0.17 0.00 0.00 0.00 0.00 33.22 32.45 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 -1.21 1.43 -0.17 3.17 2.01 -1.26 -1.74 115.64 117.88 1wgg s THR 72 Ca 0.18 -0.65 -0.06 0.00 0.31 0.00 0.00 61.69 61.47 1wgg s THR 72 Cb -0.03 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 1wgg s THR 72 CO 0.15 0.42 0.01 -0.69 -0.69 0.00 0.00 174.62 173.82 1wgg s VAL 73 N 0.56 4.35 -0.11 3.82 1.01 0.55 -4.76 120.40 125.82 1wgg s VAL 73 Ca -0.16 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 1wgg s VAL 73 Cb -0.17 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1wgg s VAL 73 CO 0.05 0.48 0.17 -0.22 0.00 0.00 0.00 175.10 175.58 1wgg s LEU 74 N 0.33 4.39 0.06 3.92 1.98 -1.26 -0.46 118.68 127.63 1wgg s LEU 74 Ca -0.00 0.52 0.05 0.00 -2.89 0.00 0.00 54.13 51.81 1wgg s LEU 74 Cb -0.13 -2.13 -0.03 0.00 0.66 0.00 0.00 46.19 44.57 1wgg s LEU 74 CO 0.01 0.40 -0.15 -0.32 -1.89 0.00 0.00 176.35 174.40 1wgg s MET 75 N -1.00 0.96 -0.04 1.98 -2.45 -0.98 -0.79 119.30 116.97 1wgg s MET 75 Ca 0.16 -0.87 -0.01 0.00 -1.25 0.00 0.00 55.69 53.71 1wgg s MET 75 Cb -0.12 -1.00 0.03 0.00 1.25 0.00 0.00 34.83 34.99 1wgg s MET 75 CO 0.05 0.24 0.08 -1.64 1.05 0.00 0.00 175.02 174.80 1wgg s MET 76 N -1.40 0.01 0.00 4.11 -1.94 -1.05 -4.64 119.30 114.39 1wgg s MET 76 Ca 0.02 0.27 0.00 0.00 -1.71 0.00 0.00 55.69 54.27 1wgg s MET 76 Cb -0.09 -0.23 0.00 0.00 2.01 0.00 0.00 34.83 36.52 1wgg s MET 76 CO 0.02 -0.18 0.00 0.41 -0.01 0.00 0.00 175.02 175.26 1wgg n GLY 77 N 4.27 2.38 3.14 -0.03 0.00 -1.26 -1.56 105.19 112.12 1wgg n GLY 77 Ca -0.26 -1.36 -0.16 0.00 0.00 0.00 0.00 46.02 44.24 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 1.35 -1.02 1.61 0.01 -1.26 -4.97 113.70 109.42 1wgg s SER 78 Ca 0.00 -0.64 -0.06 0.00 1.31 0.00 0.00 55.95 56.56 1wgg s SER 78 Cb 0.00 -0.01 0.25 0.00 0.21 0.00 0.00 66.02 66.48 1wgg s SER 78 CO 0.00 -0.16 0.97 0.00 0.41 0.00 0.00 173.24 174.46 1wgg s ALA 79 N -1.57 4.53 -0.84 1.44 0.00 -1.26 -4.76 121.76 119.30 1wgg s ALA 79 Ca -0.03 -3.84 -0.25 0.00 0.00 0.00 0.00 51.96 47.84 1wgg s ALA 79 Cb -0.08 -3.26 0.04 0.00 0.00 0.00 0.00 23.12 19.82 1wgg s ALA 79 CO 0.01 -2.18 1.32 0.16 0.00 0.00 0.00 175.76 175.07 1wgg s ASP 80 N 0.72 6.30 -0.05 0.00 1.47 -1.26 -4.90 116.67 118.95 1wgg s ASP 80 Ca 0.29 -0.89 -0.29 0.00 1.18 0.00 0.00 52.55 52.84 1wgg s ASP 80 Cb -0.09 -2.55 0.11 0.00 -0.34 0.00 0.00 42.92 40.05 1wgg s ASP 80 CO -0.10 -1.67 0.90 0.00 0.68 0.00 0.00 175.17 174.98 1wgg s ALA 81 N 5.28 -1.85 0.69 2.11 0.00 -1.26 -5.16 121.76 121.57 1wgg s ALA 81 Ca 0.38 1.18 -0.14 0.00 0.00 0.00 0.00 51.96 53.38 1wgg s ALA 81 Cb -0.06 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.19 1wgg s ALA 81 CO 0.05 -0.57 1.12 -0.48 0.00 0.00 0.00 175.76 175.87 1wgg s LEU 82 N -2.06 3.30 -0.75 0.00 0.05 -1.26 -4.91 118.68 113.05 1wgg s LEU 82 Ca 0.02 2.01 -0.26 0.00 0.05 0.00 0.00 54.13 55.95 1wgg s LEU 82 Cb -0.01 -4.55 0.00 0.00 -2.05 0.00 0.00 46.19 39.59 1wgg s LEU 82 CO -0.05 -1.81 1.60 -2.16 -0.55 0.00 0.00 176.35 173.38 1wgg s PRO 83 N -4.24 2.95 -0.40 1.48 0.04 -1.26 -4.82 135.00 128.76 1wgg s PRO 83 Ca 0.67 -0.05 0.07 0.00 0.04 0.00 0.00 61.00 61.72 1wgg s PRO 83 Cb -0.21 -4.53 0.43 0.00 0.04 0.00 0.00 34.50 30.24 1wgg s PRO 83 CO 0.45 -2.53 1.10 -0.85 0.04 0.00 0.00 177.00 175.21 1wgg n GLU 84 N 9.18 3.18 -4.85 4.56 0.28 -1.26 -5.03 120.64 126.69 1wgg n GLU 84 Ca 0.18 -4.31 -0.25 0.00 -0.16 0.00 0.00 57.16 52.62 1wgg n GLU 84 Cb 0.50 -2.13 -0.15 0.00 1.43 0.00 0.00 31.44 31.08 1wgg n GLU 84 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1wgg s GLU 85 N -3.51 1.46 0.81 3.44 -1.05 -1.26 -5.14 118.70 113.45 1wgg s GLU 85 Ca 0.46 -0.68 -0.12 0.00 -0.15 0.00 0.00 54.97 54.48 1wgg s GLU 85 Cb 0.41 -1.43 0.07 0.00 -0.44 0.00 0.00 34.13 32.74 1wgg s GLU 85 CO -0.13 0.39 1.10 -1.25 0.95 0.00 0.00 175.26 176.32 1wgg s PRO 86 N -0.51 2.01 -0.18 -4.83 0.04 -1.26 -5.06 135.00 125.22 1wgg s PRO 86 Ca 0.07 0.61 0.01 0.00 0.04 0.00 0.00 61.00 61.73 1wgg s PRO 86 Cb -0.07 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1wgg s PRO 86 CO -0.00 -1.67 -0.18 0.45 0.04 0.00 0.00 177.00 175.64 1wgg s SER 87 N -3.91 3.32 -0.01 6.66 0.15 -1.26 -5.10 113.70 113.55 1wgg s SER 87 Ca 0.61 -0.59 0.01 0.00 0.70 0.00 0.00 55.95 56.67 1wgg s SER 87 Cb -0.14 -1.52 0.01 0.00 -1.71 0.00 0.00 66.02 62.66 1wgg s SER 87 CO 0.54 0.02 -0.02 0.00 1.20 0.00 0.00 173.24 174.98 1wgg s ALA 88 N 1.21 0.25 0.15 5.45 0.00 -1.26 -4.98 121.76 122.57 1wgg s ALA 88 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1wgg s ALA 88 Cb -0.14 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1wgg s ALA 88 CO -0.09 0.02 0.00 1.17 0.00 0.00 0.00 175.76 176.86 1wgg n LYS 89 N 3.31 0.00 -1.40 0.00 4.81 -1.26 -5.14 118.16 118.48 1wgg n LYS 89 Ca -0.16 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.85 1wgg n LYS 89 Cb 0.57 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.62 1wgg n LYS 89 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1wgg n THR 90 N -2.95 1.45 -0.83 3.15 -1.04 -1.26 -4.86 114.28 107.93 1wgg n THR 90 Ca 0.00 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 61.15 1wgg n THR 90 Cb 0.00 -0.32 0.10 0.00 -1.82 0.00 0.00 70.33 68.29 1wgg n THR 90 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1wgg n SER 91 N 1.70 -2.69 0.00 8.00 7.64 -1.26 -5.03 113.62 121.98 1wgg n SER 91 Ca 0.12 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1wgg n SER 91 Cb 0.38 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 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 2.77 3.93 0.11 0.23 0.00 -1.26 -5.05 105.19 105.92 1wgg n GLY 92 Ca -0.01 -1.80 -0.15 0.00 0.00 0.00 0.00 46.02 44.06 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 0.25 -0.42 1.61 0.13 -1.96 -3.45 132.00 128.15 1wgg h PRO 93 Ca 0.00 -0.24 0.12 0.00 -0.87 0.00 0.00 66.00 65.01 1wgg h PRO 93 Cb 0.00 0.06 -0.18 0.00 0.13 0.00 0.00 31.00 31.01 1wgg h PRO 93 CO 0.00 0.94 -0.16 0.45 -0.23 0.00 0.00 178.00 179.00 1wgg s SER 94 N -6.39 -0.67 -0.49 1.44 0.15 -1.26 -5.03 113.70 101.45 1wgg s SER 94 Ca -0.15 -0.16 -0.35 0.00 0.70 0.00 0.00 55.95 55.99 1wgg s SER 94 Cb 0.02 1.08 0.05 0.00 -1.71 0.00 0.00 66.02 65.46 1wgg s SER 94 CO 0.76 -0.09 0.66 -1.20 1.20 0.00 0.00 173.24 174.57 1wgg n SER 95 N 4.42 -5.43 0.00 5.45 7.64 -1.26 -5.28 113.62 119.16 1wgg n SER 95 Ca 0.08 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1wgg n SER 95 Cb 0.60 -1.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 1wgg n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64