#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgg h SER 2 N 0.00 -1.44 -4.42 1.61 0.87 -2.13 -3.43 113.55 104.62 1wgg h SER 2 Ca 0.00 0.16 -0.41 0.00 -1.23 0.00 0.00 61.79 60.31 1wgg h SER 2 Cb 0.00 0.54 -0.23 0.00 -0.44 0.00 0.00 62.40 62.27 1wgg h SER 2 CO 0.00 -0.51 -0.78 -0.44 -0.53 0.00 0.00 176.83 174.57 1wgg s SER 3 N -4.72 1.56 0.00 6.23 0.01 -1.26 -5.14 113.70 110.39 1wgg s SER 3 Ca -0.16 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.57 1wgg s SER 3 Cb 0.07 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.23 1wgg s SER 3 CO 0.62 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.85 1wgg n GLY 4 N 1.61 0.90 1.69 3.44 0.00 -1.26 -5.06 105.19 106.51 1wgg n GLY 4 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -6.22 0.00 1.61 7.64 -1.26 -5.08 113.62 110.32 1wgg n SER 5 Ca 0.00 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.88 1wgg n SER 5 Cb 0.00 -3.36 0.00 0.00 -1.01 0.00 0.00 64.21 59.84 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 1.04 0.00 -1.63 6.43 7.64 -1.26 -5.08 113.62 120.75 1wgg n SER 6 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wgg n SER 6 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wgg n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgg n GLY 7 N 1.88 -4.90 3.37 0.23 0.00 -1.26 -5.03 105.19 99.49 1wgg n GLY 7 Ca 0.00 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 1wgg n GLY 7 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wgg s TYR 8 N -1.05 1.77 0.03 1.61 1.51 0.56 -4.96 117.35 116.82 1wgg s TYR 8 Ca 0.00 -0.65 0.09 0.00 -1.01 0.00 0.00 57.07 55.49 1wgg s TYR 8 Cb 0.00 -0.91 -0.03 0.00 -0.11 0.00 0.00 41.96 40.91 1wgg s TYR 8 CO 0.00 0.29 -0.25 0.45 -1.11 0.00 0.00 175.55 174.93 1wgg s SER 9 N -3.36 3.02 0.17 2.29 0.15 -1.26 -1.14 113.70 113.57 1wgg s SER 9 Ca 0.25 -0.56 -0.01 0.00 0.70 0.00 0.00 55.95 56.34 1wgg s SER 9 Cb 0.01 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 1wgg s SER 9 CO 0.09 0.25 0.23 1.33 1.20 0.00 0.00 173.24 176.34 1wgg n VAL 10 N 1.91 0.00 -3.90 4.45 0.24 -1.24 -1.14 118.33 118.65 1wgg n VAL 10 Ca -0.17 -0.88 -0.24 0.00 -2.04 0.00 0.00 64.34 61.01 1wgg n VAL 10 Cb 0.52 0.53 -0.17 0.00 -1.47 0.00 0.00 33.84 33.25 1wgg n VAL 10 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1wgg s THR 11 N -2.62 0.71 -0.21 3.34 2.01 -1.09 -3.09 115.64 114.68 1wgg s THR 11 Ca 0.14 -0.10 -0.21 0.00 0.31 0.00 0.00 61.69 61.83 1wgg s THR 11 Cb -0.00 -0.78 -0.02 0.00 0.01 0.00 0.00 72.50 71.70 1wgg s THR 11 CO 0.10 0.31 0.65 -0.69 -0.69 0.00 0.00 174.62 174.30 1wgg s VAL 12 N 1.70 4.99 -0.31 3.82 1.01 -0.13 0.19 120.40 131.69 1wgg s VAL 12 Ca 0.03 1.21 -0.02 0.00 0.00 0.00 0.00 61.98 63.20 1wgg s VAL 12 Cb -0.13 -3.96 0.05 0.00 0.00 0.00 0.00 36.38 32.34 1wgg s VAL 12 CO -0.06 0.08 0.01 -0.54 0.00 0.00 0.00 175.10 174.59 1wgg s LYS 13 N 2.12 2.42 -0.35 2.72 1.02 -0.23 -1.23 119.74 126.22 1wgg s LYS 13 Ca 0.29 -1.28 0.03 0.00 0.02 0.00 0.00 55.97 55.03 1wgg s LYS 13 Cb -0.16 -3.21 0.10 0.00 -0.52 0.00 0.00 37.83 34.05 1wgg s LYS 13 CO 0.10 -0.64 0.07 -0.46 -0.92 0.00 0.00 175.35 173.50 1wgg s TRP 14 N 1.25 3.48 0.00 3.18 -0.00 -0.61 -2.46 118.94 123.78 1wgg s TRP 14 Ca -0.05 -2.87 0.00 0.00 -0.00 0.00 0.00 56.10 53.19 1wgg s TRP 14 Cb -0.20 -2.77 0.00 0.00 -0.00 0.00 0.00 33.47 30.50 1wgg s TRP 14 CO -0.01 -0.93 0.00 0.41 -0.00 0.00 0.00 176.95 176.42 1wgg n GLY 15 N 4.24 1.79 0.36 5.86 0.00 -1.26 0.16 105.19 116.35 1wgg n GLY 15 Ca 0.03 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 0.60 -6.67 1.61 1.79 -2.01 -3.41 116.57 108.49 1wgg h LYS 16 Ca 0.00 -0.04 -0.53 0.00 -2.18 0.00 0.00 60.65 57.91 1wgg h LYS 16 Cb 0.00 -0.14 0.05 0.00 -1.58 0.00 0.00 32.23 30.56 1wgg h LYS 16 CO 0.00 0.40 0.79 -1.21 -1.08 0.00 0.00 179.45 178.35 1wgg s GLU 17 N -5.59 4.26 -0.04 3.15 0.41 0.42 -5.01 118.70 116.31 1wgg s GLU 17 Ca -0.09 2.27 0.05 0.00 -0.41 0.00 0.00 54.97 56.79 1wgg s GLU 17 Cb 0.21 -3.15 -0.01 0.00 -1.78 0.00 0.00 34.13 29.40 1wgg s GLU 17 CO 0.77 -0.48 -0.20 0.21 -0.49 0.00 0.00 175.26 175.08 1wgg s LYS 18 N 0.36 1.98 -0.17 1.61 2.20 -1.26 -1.57 119.74 122.90 1wgg s LYS 18 Ca 0.63 -0.72 -0.04 0.00 -0.36 0.00 0.00 55.97 55.49 1wgg s LYS 18 Cb -0.41 -1.74 0.06 0.00 -1.51 0.00 0.00 37.83 34.22 1wgg s LYS 18 CO 0.37 0.32 0.06 -0.06 -0.36 0.00 0.00 175.35 175.68 1wgg s PHE 19 N -0.11 0.60 -0.14 4.03 0.08 -0.37 -5.00 117.98 117.08 1wgg s PHE 19 Ca -0.02 -0.53 0.02 0.00 0.12 0.00 0.00 56.93 56.53 1wgg s PHE 19 Cb -0.12 -0.84 0.01 0.00 -0.57 0.00 0.00 43.02 41.51 1wgg s PHE 19 CO 0.02 -0.53 -0.19 -1.21 -0.10 0.00 0.00 175.22 173.21 1wgg s GLU 20 N 2.00 2.75 0.00 0.44 2.02 -1.26 -0.95 118.70 123.70 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 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.54 1wgg n GLY 21 N 4.24 0.63 3.91 -1.39 0.00 -1.24 -5.05 105.19 106.29 1wgg n GLY 21 Ca -0.20 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.25 5.33 -0.09 1.61 1.01 -1.18 -5.03 120.40 120.79 1wgg s VAL 22 Ca 0.00 -0.29 -0.21 0.00 0.00 0.00 0.00 61.98 61.49 1wgg s VAL 22 Cb 0.00 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1wgg s VAL 22 CO 0.00 0.10 0.58 -1.83 0.00 0.00 0.00 175.10 173.96 1wgg s GLU 23 N -2.57 4.39 -0.00 2.72 -1.05 -1.26 -3.61 118.70 117.30 1wgg s GLU 23 Ca 0.37 0.66 0.01 0.00 -0.15 0.00 0.00 54.97 55.85 1wgg s GLU 23 Cb -0.13 -3.44 -0.00 0.00 -0.44 0.00 0.00 34.13 30.12 1wgg s GLU 23 CO 0.27 0.11 -0.03 -1.17 0.95 0.00 0.00 175.26 175.39 1wgg s LEU 24 N 0.72 1.96 -0.02 1.83 2.96 -0.29 -4.87 118.68 120.96 1wgg s LEU 24 Ca 0.31 -0.06 0.04 0.00 -0.22 0.00 0.00 54.13 54.20 1wgg s LEU 24 Cb -0.16 -0.19 -0.01 0.00 0.50 0.00 0.00 46.19 46.33 1wgg s LEU 24 CO 0.14 0.04 -0.13 0.20 -1.32 0.00 0.00 176.35 175.28 1wgg s ASN 25 N -0.02 1.56 -0.16 3.68 -0.87 -1.26 0.21 114.94 118.07 1wgg s ASN 25 Ca 0.01 -0.24 0.19 0.00 -1.57 0.00 0.00 52.86 51.24 1wgg s ASN 25 Cb -0.02 -0.26 -0.27 0.00 -0.02 0.00 0.00 41.25 40.68 1wgg s ASN 25 CO -0.00 0.14 0.16 0.35 -2.57 0.00 0.00 177.10 175.17 1wgg n THR 26 N 2.93 1.07 0.31 1.60 -2.24 -1.26 -4.17 114.28 112.52 1wgg n THR 26 Ca -0.15 -0.77 0.17 0.00 -2.27 0.00 0.00 64.05 61.02 1wgg n THR 26 Cb 0.55 -0.36 0.90 0.00 -2.10 0.00 0.00 70.33 69.31 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 -5.12 3.42 3.58 -1.98 -3.42 116.42 112.91 1wgg h ASP 27 Ca -0.42 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.53 1wgg h ASP 27 Cb 1.96 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.95 1wgg h ASP 27 CO 0.02 0.00 -0.29 -0.62 -2.88 0.00 0.00 179.24 175.47 1wgg n GLU 28 N -2.84 0.89 -1.54 0.28 -0.58 -1.26 -5.08 120.64 110.50 1wgg n GLU 28 Ca -0.02 -2.90 -0.29 0.00 -0.42 0.00 0.00 57.16 53.53 1wgg n GLU 28 Cb 0.25 0.50 0.12 0.00 -0.57 0.00 0.00 31.44 31.75 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 -3.71 1.36 0.35 3.49 0.04 -1.26 -4.75 135.00 130.52 1wgg s PRO 29 Ca 0.15 0.37 0.26 0.00 0.04 0.00 0.00 61.00 61.82 1wgg s PRO 29 Cb -0.01 -1.86 0.88 0.00 0.04 0.00 0.00 34.50 33.55 1wgg s PRO 29 CO 0.10 -2.06 1.77 -1.00 0.04 0.00 0.00 177.00 175.85 1wgg h PRO 30 N -1.40 0.00 -0.14 0.56 0.13 -1.83 -3.08 132.00 126.23 1wgg h PRO 30 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1wgg h PRO 30 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 1wgg h PRO 30 CO 0.61 0.00 0.09 0.52 -0.23 0.00 0.00 178.00 179.00 1wgg h MET 31 N 0.00 0.17 0.52 0.86 2.86 -1.83 -1.64 114.93 115.87 1wgg h MET 31 Ca 0.00 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1wgg h MET 31 Cb 0.64 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.26 1wgg h MET 31 CO 0.00 0.11 -0.25 0.28 1.06 0.00 0.00 176.91 178.12 1wgg h VAL 32 N 0.18 0.00 -0.99 -2.22 2.07 -1.91 0.74 116.25 114.11 1wgg h VAL 32 Ca 0.05 -0.15 0.28 0.00 0.82 0.00 0.00 66.70 67.70 1wgg h VAL 32 Cb -0.00 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.72 1wgg h VAL 32 CO -0.01 0.00 0.70 0.15 0.02 0.00 0.00 177.57 178.43 1wgg h PHE 33 N -0.85 0.11 0.00 1.57 3.57 -1.68 1.46 116.94 121.12 1wgg h PHE 33 Ca -0.07 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.35 1wgg h PHE 33 Cb 0.53 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1wgg h PHE 33 CO 0.06 0.02 -0.68 0.87 -2.23 0.00 0.00 178.31 176.35 1wgg h LYS 34 N 0.08 0.00 0.00 1.11 1.57 -1.10 -2.89 116.57 115.34 1wgg h LYS 34 Ca 0.48 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.17 1wgg h LYS 34 Cb 1.80 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.09 1wgg h LYS 34 CO -0.05 0.28 -0.44 0.00 -0.57 0.00 0.00 179.45 178.67 1wgg h ALA 35 N 1.66 1.08 0.04 3.86 0.00 0.86 -3.07 119.26 123.68 1wgg h ALA 35 Ca -0.04 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 1wgg h ALA 35 Cb 1.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1wgg h ALA 35 CO 0.04 0.55 -0.38 0.37 0.00 0.00 0.00 179.25 179.83 1wgg h GLN 36 N 0.00 0.08 -0.68 0.00 4.15 -1.21 -3.26 115.11 114.19 1wgg h GLN 36 Ca -0.00 -0.14 0.20 0.00 0.77 0.00 0.00 58.65 59.48 1wgg h GLN 36 Cb 0.89 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.60 1wgg h GLN 36 CO 0.06 1.07 0.79 -0.07 -1.93 0.00 0.00 178.83 178.75 1wgg h LEU 37 N -0.82 0.00 -0.94 -2.39 3.38 -1.49 1.50 115.31 114.55 1wgg h LEU 37 Ca -0.08 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 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 0.02 0.00 -0.15 0.15 0.09 0.00 0.00 178.44 178.55 1wgg h PHE 38 N 0.00 0.67 -0.01 1.13 3.57 -1.57 -0.71 116.94 120.02 1wgg h PHE 38 Ca 0.33 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1wgg h PHE 38 Cb 1.91 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.48 1wgg h PHE 38 CO 0.00 0.73 -0.34 0.00 -2.23 0.00 0.00 178.31 176.47 1wgg n ALA 39 N -2.48 3.24 -0.07 2.41 0.00 0.50 -1.72 120.51 122.39 1wgg n ALA 39 Ca 0.01 -0.42 -0.10 0.00 0.00 0.00 0.00 53.44 52.93 1wgg n ALA 39 Cb 0.36 -1.09 -0.07 0.00 0.00 0.00 0.00 19.45 18.65 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 1.06 0.00 0.00 0.00 3.38 -0.42 -3.44 115.31 115.89 1wgg h LEU 40 Ca 0.00 -0.38 -0.19 0.00 0.09 0.00 0.00 57.88 57.40 1wgg h LEU 40 Cb 0.53 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1wgg h LEU 40 CO 0.00 0.94 -1.52 0.35 0.09 0.00 0.00 178.44 178.30 1wgg n THR 41 N -4.61 1.26 0.00 0.22 -2.24 -0.35 -5.04 114.28 103.53 1wgg n THR 41 Ca -0.12 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1wgg n THR 41 Cb 0.36 -1.94 0.00 0.00 -2.10 0.00 0.00 70.33 66.64 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 1.84 0.52 3.78 3.38 0.00 -0.70 -4.99 105.19 109.02 1wgg n GLY 42 Ca -0.27 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.46 4.18 0.79 1.61 1.01 -1.26 -4.69 120.40 121.57 1wgg s VAL 43 Ca 0.00 1.76 -0.11 0.00 0.00 0.00 0.00 61.98 63.62 1wgg s VAL 43 Cb 0.00 -3.95 0.07 0.00 0.00 0.00 0.00 36.38 32.50 1wgg s VAL 43 CO 0.00 0.10 1.11 -1.10 0.00 0.00 0.00 175.10 175.21 1wgg s GLN 44 N -2.17 2.04 0.00 2.72 1.11 -1.26 -3.77 119.66 118.33 1wgg s GLN 44 Ca 0.52 1.33 0.18 0.00 0.01 0.00 0.00 55.36 57.39 1wgg s GLN 44 Cb -0.18 -1.86 1.07 0.00 -1.01 0.00 0.00 33.01 31.02 1wgg s GLN 44 CO 0.23 -1.83 1.53 -0.35 0.01 0.00 0.00 175.29 174.88 1wgg n PRO 45 N -3.47 0.75 -0.07 2.91 -0.04 -1.26 -0.67 135.00 133.15 1wgg n PRO 45 Ca 0.10 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.51 1wgg n PRO 45 Cb 0.52 -1.37 -0.14 0.00 -0.04 0.00 0.00 33.50 32.47 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 -0.87 1.76 -0.05 0.55 0.00 -1.26 -4.50 120.51 116.14 1wgg n ALA 46 Ca 0.13 -1.05 -0.14 0.00 0.00 0.00 0.00 53.44 52.38 1wgg n ALA 46 Cb 0.06 -0.22 -0.14 0.00 0.00 0.00 0.00 19.45 19.15 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 -2.57 0.68 -1.58 0.00 1.74 -0.96 -4.80 116.66 109.17 1wgg n ARG 47 Ca -0.24 0.20 -0.25 0.00 -0.77 0.00 0.00 57.85 56.78 1wgg n ARG 47 Cb 0.98 -1.66 -0.05 0.00 -1.02 0.00 0.00 32.46 30.70 1wgg n ARG 47 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1wgg s GLN 48 N -2.55 1.87 -0.86 5.56 -0.21 0.15 -4.50 119.66 119.13 1wgg s GLN 48 Ca -0.16 0.91 -0.25 0.00 0.02 0.00 0.00 55.36 55.88 1wgg s GLN 48 Cb 0.07 -4.69 -0.01 0.00 1.00 0.00 0.00 33.01 29.38 1wgg s GLN 48 CO 0.77 -3.85 1.75 0.21 -2.12 0.00 0.00 175.29 172.06 1wgg s LYS 49 N 8.53 2.86 -0.71 2.91 2.20 -0.38 -4.83 119.74 130.33 1wgg s LYS 49 Ca 0.94 -0.30 -0.25 0.00 -0.36 0.00 0.00 55.97 56.00 1wgg s LYS 49 Cb -0.15 -4.92 0.05 0.00 -1.51 0.00 0.00 37.83 31.30 1wgg s LYS 49 CO 0.17 -2.87 1.16 0.08 -0.36 0.00 0.00 175.35 173.52 1wgg s VAL 50 N 8.32 3.96 0.86 4.02 1.01 -1.26 -3.12 120.40 134.19 1wgg s VAL 50 Ca 0.61 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.56 1wgg s VAL 50 Cb -0.06 -4.83 0.11 0.00 0.00 0.00 0.00 36.38 31.60 1wgg s VAL 50 CO 0.03 -1.70 1.18 -0.04 0.00 0.00 0.00 175.10 174.56 1wgg s MET 51 N 5.07 1.54 0.09 2.72 -1.94 -0.79 -0.63 119.30 125.36 1wgg s MET 51 Ca 0.30 0.11 0.03 0.00 -1.71 0.00 0.00 55.69 54.42 1wgg s MET 51 Cb -0.11 -1.90 -0.04 0.00 2.01 0.00 0.00 34.83 34.79 1wgg s MET 51 CO 0.13 -1.89 -0.09 0.08 -0.01 0.00 0.00 175.02 173.25 1wgg s VAL 52 N -3.51 0.80 0.28 -6.03 1.01 0.52 -4.34 120.40 109.13 1wgg s VAL 52 Ca 0.64 -1.65 0.18 0.00 0.00 0.00 0.00 61.98 61.15 1wgg s VAL 52 Cb -0.11 -1.35 0.29 0.00 0.00 0.00 0.00 36.38 35.21 1wgg s VAL 52 CO 0.51 -0.63 1.12 0.29 0.00 0.00 0.00 175.10 176.38 1wgg n LYS 53 N 0.50 -0.04 -2.69 2.72 5.02 -1.26 -2.02 118.16 120.40 1wgg n LYS 53 Ca -0.16 0.95 -0.03 0.00 -2.02 0.00 0.00 58.31 57.06 1wgg n LYS 53 Cb 0.58 -1.76 0.12 0.00 -0.02 0.00 0.00 35.03 33.95 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 -1.25 1.91 0.00 0.72 0.00 -1.26 -5.14 105.19 100.18 1wgg n GLY 54 Ca 0.28 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.31 1.10 3.14 -0.02 0.00 -0.86 -5.17 105.19 102.07 1wgg n GLY 55 Ca -0.13 -0.84 -0.22 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 -2.38 1.17 0.05 2.61 2.01 -1.26 0.20 115.64 118.03 1wgg s THR 56 Ca 0.00 -0.81 -0.31 0.00 0.31 0.00 0.00 61.69 60.89 1wgg s THR 56 Cb 0.00 -1.01 -0.07 0.00 0.01 0.00 0.00 72.50 71.43 1wgg s THR 56 CO 0.00 0.19 1.50 -0.22 -0.69 0.00 0.00 174.62 175.40 1wgg s LEU 57 N -0.71 4.34 0.00 4.42 0.20 0.19 -4.90 118.68 122.23 1wgg s LEU 57 Ca 0.04 2.30 -0.04 0.00 0.69 0.00 0.00 54.13 57.12 1wgg s LEU 57 Cb -0.07 -3.57 0.06 0.00 -0.43 0.00 0.00 46.19 42.19 1wgg s LEU 57 CO 0.00 -0.77 0.22 0.29 -0.29 0.00 0.00 176.35 175.80 1wgg n LYS 58 N 5.17 -1.35 0.00 1.98 5.02 -1.26 -4.86 118.16 122.86 1wgg n LYS 58 Ca 0.14 -0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 1wgg n LYS 58 Cb 0.42 -0.32 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 1wgg n LYS 58 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1wgg n ASP 59 N -3.36 0.68 0.03 4.39 2.03 -1.26 -4.65 116.55 114.41 1wgg n ASP 59 Ca 0.03 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.21 1wgg n ASP 59 Cb 0.12 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.43 1wgg n ASP 59 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1wgg h ASP 60 N 0.00 -0.06 -4.88 1.67 2.03 -1.99 -3.34 116.42 109.85 1wgg h ASP 60 Ca 0.00 -0.33 -0.01 0.00 -0.73 0.00 0.00 57.03 55.95 1wgg h ASP 60 Cb 0.58 0.02 -0.16 0.00 -0.83 0.00 0.00 39.33 38.93 1wgg h ASP 60 CO 0.00 0.30 0.26 -1.81 -1.03 0.00 0.00 179.24 176.97 1wgg s ASP 61 N -5.48 -0.57 0.03 4.15 1.01 -1.26 -4.68 116.67 109.87 1wgg s ASP 61 Ca -0.15 0.35 -0.25 0.00 0.71 0.00 0.00 52.55 53.21 1wgg s ASP 61 Cb 0.03 0.52 -0.14 0.00 1.01 0.00 0.00 42.92 44.34 1wgg s ASP 61 CO 0.65 -0.72 1.25 -0.50 0.21 0.00 0.00 175.17 176.06 1wgg h TRP 62 N 2.49 -0.83 -0.59 4.23 4.06 -1.91 -3.41 115.95 119.98 1wgg h TRP 62 Ca -0.28 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.65 1wgg h TRP 62 Cb 1.22 0.27 0.00 0.00 -1.00 0.00 0.00 29.16 29.65 1wgg h TRP 62 CO 0.30 -0.52 0.00 0.41 -3.56 0.00 0.00 178.44 175.08 1wgg n GLY 63 N -1.11 0.83 3.94 1.49 0.00 -1.26 -4.54 105.19 104.55 1wgg n GLY 63 Ca -0.11 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.30 -3.32 -4.75 1.61 3.02 -1.26 -4.88 115.26 105.38 1wgg n ASN 64 Ca 0.00 -1.15 -0.40 0.00 -0.03 0.00 0.00 54.58 53.00 1wgg n ASN 64 Cb 0.11 -2.52 -0.06 0.00 -0.61 0.00 0.00 39.78 36.70 1wgg n ASN 64 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wgg s ILE 65 N -3.68 4.17 -1.02 2.41 1.01 -1.26 -4.92 121.20 117.91 1wgg s ILE 65 Ca 0.35 2.06 -0.19 0.00 0.00 0.00 0.00 60.65 62.87 1wgg s ILE 65 Cb -0.16 -4.32 -0.09 0.00 0.01 0.00 0.00 42.46 37.91 1wgg s ILE 65 CO 0.92 0.47 2.04 0.29 0.00 0.00 0.00 174.94 178.66 1wgg n LYS 66 N 1.74 1.99 -2.61 2.79 4.76 -1.26 -4.90 118.16 120.66 1wgg n LYS 66 Ca -0.01 -2.11 -0.25 0.00 -2.87 0.00 0.00 58.31 53.06 1wgg n LYS 66 Cb 0.47 -3.05 0.02 0.00 -1.84 0.00 0.00 35.03 30.64 1wgg n LYS 66 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1wgg s MET 67 N 4.35 2.99 0.10 1.97 -1.94 -1.26 -5.08 119.30 120.44 1wgg s MET 67 Ca 0.54 -0.17 -0.20 0.00 -1.71 0.00 0.00 55.69 54.14 1wgg s MET 67 Cb 0.14 -2.38 0.05 0.00 2.01 0.00 0.00 34.83 34.65 1wgg s MET 67 CO 0.04 -0.53 0.50 -1.59 -0.01 0.00 0.00 175.02 173.43 1wgg s LYS 68 N -4.83 1.11 -0.42 2.03 -2.85 -1.26 -5.13 119.74 108.40 1wgg s LYS 68 Ca 0.52 -0.47 -0.20 0.00 -1.00 0.00 0.00 55.97 54.82 1wgg s LYS 68 Cb -0.10 0.50 0.02 0.00 -2.06 0.00 0.00 37.83 36.19 1wgg s LYS 68 CO 0.42 -0.44 0.60 -0.80 0.10 0.00 0.00 175.35 175.24 1wgg s ASN 69 N -2.48 6.31 0.00 0.03 0.01 -1.26 -3.96 114.94 113.60 1wgg s ASN 69 Ca -0.01 -0.32 0.00 0.00 -0.71 0.00 0.00 52.86 51.82 1wgg s ASN 69 Cb 0.00 -2.30 0.00 0.00 0.41 0.00 0.00 41.25 39.36 1wgg s ASN 69 CO -0.08 -0.71 0.00 0.61 -1.51 0.00 0.00 177.10 175.40 1wgg n GLY 70 N 5.00 3.34 3.30 0.66 0.00 -0.29 -4.87 105.19 112.33 1wgg n GLY 70 Ca -0.03 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.99 -4.19 1.61 0.00 -1.25 -4.72 117.12 106.58 1wgg n MET 71 Ca 0.00 -0.56 -0.26 0.00 0.00 0.00 0.00 57.70 56.88 1wgg n MET 71 Cb 0.00 -1.79 -0.07 0.00 0.00 0.00 0.00 33.22 31.36 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 -2.25 3.83 -0.14 3.17 2.01 -1.26 -2.68 115.64 118.31 1wgg s THR 72 Ca 0.58 -1.41 0.03 0.00 0.31 0.00 0.00 61.69 61.20 1wgg s THR 72 Cb -0.14 -2.94 0.01 0.00 0.01 0.00 0.00 72.50 69.44 1wgg s THR 72 CO 0.65 -0.13 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.53 1wgg s VAL 73 N -1.78 2.06 -0.24 3.82 1.01 0.52 -4.80 120.40 120.99 1wgg s VAL 73 Ca 0.28 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 61.13 1wgg s VAL 73 Cb -0.09 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1wgg s VAL 73 CO 0.19 0.55 0.38 -0.22 0.00 0.00 0.00 175.10 176.01 1wgg s LEU 74 N 0.77 4.08 -0.11 3.92 1.98 -1.26 -1.06 118.68 127.00 1wgg s LEU 74 Ca -0.08 0.38 0.01 0.00 -2.89 0.00 0.00 54.13 51.54 1wgg s LEU 74 Cb -0.16 -2.46 -0.02 0.00 0.66 0.00 0.00 46.19 44.21 1wgg s LEU 74 CO -0.01 -0.14 -0.12 -0.32 -1.89 0.00 0.00 176.35 173.87 1wgg s MET 75 N 1.78 3.14 -0.05 1.98 1.75 -1.03 -1.89 119.30 124.98 1wgg s MET 75 Ca 0.17 -0.66 0.01 0.00 -1.25 0.00 0.00 55.69 53.95 1wgg s MET 75 Cb -0.15 -2.59 0.02 0.00 2.84 0.00 0.00 34.83 34.95 1wgg s MET 75 CO 0.09 0.36 -0.04 -1.64 -0.65 0.00 0.00 175.02 173.14 1wgg s MET 76 N -0.02 0.81 0.00 4.11 -1.94 -1.18 -4.63 119.30 116.45 1wgg s MET 76 Ca -0.03 -0.07 0.00 0.00 -1.71 0.00 0.00 55.69 53.88 1wgg s MET 76 Cb -0.14 -0.89 0.00 0.00 2.01 0.00 0.00 34.83 35.81 1wgg s MET 76 CO 0.04 -0.13 0.00 0.41 -0.01 0.00 0.00 175.02 175.33 1wgg n GLY 77 N 4.29 -0.91 3.33 -0.03 0.00 -1.26 -1.24 105.19 109.36 1wgg n GLY 77 Ca -0.21 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 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 -4.00 0.01 -0.29 1.61 0.01 -1.26 -5.06 113.70 104.72 1wgg s SER 78 Ca 0.00 -0.76 0.11 0.00 1.31 0.00 0.00 55.95 56.61 1wgg s SER 78 Cb 0.00 0.44 0.47 0.00 0.21 0.00 0.00 66.02 67.14 1wgg s SER 78 CO 0.00 -0.88 1.16 0.00 0.41 0.00 0.00 173.24 173.93 1wgg n ALA 79 N -0.20 4.36 -3.07 1.44 0.00 -1.26 -4.48 120.51 117.28 1wgg n ALA 79 Ca -0.09 -3.52 -0.03 0.00 0.00 0.00 0.00 53.44 49.79 1wgg n ALA 79 Cb 0.63 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1wgg n ALA 79 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wgg n ASP 80 N -0.67 -6.14 -4.43 0.00 5.68 -1.26 -4.63 116.55 105.11 1wgg n ASP 80 Ca 0.34 0.34 -0.50 0.00 -0.50 0.00 0.00 54.79 54.47 1wgg n ASP 80 Cb 0.91 -1.49 -0.04 0.00 -1.14 0.00 0.00 41.12 39.37 1wgg n ASP 80 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wgg n ALA 81 N 1.14 -2.91 -1.96 2.12 0.00 -1.26 -4.91 120.51 112.73 1wgg n ALA 81 Ca -0.01 0.47 -0.29 0.00 0.00 0.00 0.00 53.44 53.61 1wgg n ALA 81 Cb 0.49 -1.66 0.03 0.00 0.00 0.00 0.00 19.45 18.31 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 2.34 3.09 -1.12 0.00 1.02 -1.26 -4.92 118.68 117.82 1wgg s LEU 82 Ca 0.69 1.06 -0.16 0.00 0.02 0.00 0.00 54.13 55.74 1wgg s LEU 82 Cb -0.98 -3.92 -0.06 0.00 0.02 0.00 0.00 46.19 41.24 1wgg s LEU 82 CO 0.56 -1.14 2.15 -0.81 0.02 0.00 0.00 176.35 177.13 1wgg n PRO 83 N -2.81 2.27 -4.03 1.29 -0.04 -1.26 -4.79 135.00 125.62 1wgg n PRO 83 Ca 0.06 -2.12 -0.12 0.00 -0.04 0.00 0.00 63.50 61.28 1wgg n PRO 83 Cb 0.57 -3.00 -0.04 0.00 -0.04 0.00 0.00 33.50 30.99 1wgg n PRO 83 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1wgg s GLU 84 N 3.89 1.80 -0.40 0.54 2.12 -1.26 -5.10 118.70 120.28 1wgg s GLU 84 Ca 0.52 -1.55 0.09 0.00 0.36 0.00 0.00 54.97 54.39 1wgg s GLU 84 Cb 0.14 0.46 0.28 0.00 0.26 0.00 0.00 34.13 35.27 1wgg s GLU 84 CO 0.01 -0.75 0.60 -0.85 -0.54 0.00 0.00 175.26 173.72 1wgg n GLU 85 N -0.49 0.92 -2.48 4.30 0.28 -1.26 -5.11 120.64 116.80 1wgg n GLU 85 Ca -0.01 -3.37 -0.41 0.00 -0.16 0.00 0.00 57.16 53.21 1wgg n GLU 85 Cb 0.62 -1.42 -0.04 0.00 1.43 0.00 0.00 31.44 32.04 1wgg n GLU 85 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1wgg s PRO 86 N -1.62 4.53 0.00 3.44 0.04 -1.26 -5.00 135.00 135.13 1wgg s PRO 86 Ca 0.37 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1wgg s PRO 86 Cb 0.22 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.46 1wgg s PRO 86 CO -0.10 -0.04 0.00 0.45 0.04 0.00 0.00 177.00 177.35 1wgg n SER 87 N 2.87 0.00 0.01 6.66 2.88 -1.26 -5.08 113.62 119.69 1wgg n SER 87 Ca 0.05 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.56 1wgg n SER 87 Cb 0.46 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.91 1wgg n SER 87 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wgg n ALA 88 N 0.00 2.38 -2.62 -1.46 0.00 -1.26 -5.03 120.51 112.52 1wgg n ALA 88 Ca 0.00 -0.24 -0.36 0.00 0.00 0.00 0.00 53.44 52.84 1wgg n ALA 88 Cb 0.00 0.19 -0.06 0.00 0.00 0.00 0.00 19.45 19.58 1wgg n ALA 88 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wgg s LYS 89 N -2.27 3.74 -0.56 0.00 1.02 -1.26 -5.04 119.74 115.37 1wgg s LYS 89 Ca -0.08 0.16 0.05 0.00 0.02 0.00 0.00 55.97 56.12 1wgg s LYS 89 Cb 0.01 -3.08 0.20 0.00 -0.52 0.00 0.00 37.83 34.44 1wgg s LYS 89 CO 0.13 0.63 0.51 2.41 -0.92 0.00 0.00 175.35 178.10 1wgg n THR 90 N 1.25 0.63 -3.82 2.17 -1.04 -1.26 -5.07 114.28 107.13 1wgg n THR 90 Ca -0.11 -4.41 -0.08 0.00 -2.04 0.00 0.00 64.05 57.41 1wgg n THR 90 Cb 0.53 -1.98 -0.03 0.00 -1.82 0.00 0.00 70.33 67.03 1wgg n THR 90 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1wgg s SER 91 N -1.21 -0.27 -0.32 8.00 1.04 -1.26 -5.15 113.70 114.54 1wgg s SER 91 Ca 0.32 -0.58 0.03 0.00 0.48 0.00 0.00 55.95 56.20 1wgg s SER 91 Cb 0.05 0.69 0.19 0.00 0.10 0.00 0.00 66.02 67.05 1wgg s SER 91 CO -0.14 -1.26 0.68 -0.83 0.98 0.00 0.00 173.24 172.67 1wgg s GLY 92 N -2.91 -1.24 0.06 7.32 0.00 -1.26 -5.03 107.32 104.27 1wgg s GLY 92 Ca 0.11 1.04 -0.15 0.00 0.00 0.00 0.00 44.72 45.72 1wgg s GLY 92 CO 0.04 3.77 1.20 -0.56 0.00 0.00 0.00 173.10 177.55 1wgg h PRO 93 N 7.59 0.64 -6.10 2.90 0.13 -2.05 -3.45 132.00 131.67 1wgg h PRO 93 Ca -0.01 -0.63 -0.57 0.00 -0.87 0.00 0.00 66.00 63.92 1wgg h PRO 93 Cb 1.19 0.16 -0.03 0.00 0.13 0.00 0.00 31.00 32.45 1wgg h PRO 93 CO 0.10 1.23 -0.39 0.45 -0.23 0.00 0.00 178.00 179.16 1wgg s SER 94 N -7.06 6.41 -0.32 1.44 0.15 -1.26 -5.08 113.70 107.97 1wgg s SER 94 Ca -0.11 0.40 0.03 0.00 0.70 0.00 0.00 55.95 56.97 1wgg s SER 94 Cb 0.06 -2.01 0.16 0.00 -1.71 0.00 0.00 66.02 62.53 1wgg s SER 94 CO 0.89 0.05 0.43 -0.55 1.20 0.00 0.00 173.24 175.26 1wgg s SER 95 N -2.77 0.32 0.00 5.45 0.15 -1.26 -5.15 113.70 110.45 1wgg s SER 95 Ca 0.38 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 56.32 1wgg s SER 95 Cb -0.12 1.09 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1wgg s SER 95 CO 0.27 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.01