#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 1.88 -0.00 1.61 0.01 -1.26 -5.11 113.70 110.83 1wgg s SER 2 Ca 0.00 -1.10 0.01 0.00 1.31 0.00 0.00 55.95 56.16 1wgg s SER 2 Cb 0.00 -0.01 -0.00 0.00 0.21 0.00 0.00 66.02 66.21 1wgg s SER 2 CO 0.00 -0.40 -0.02 -0.94 0.41 0.00 0.00 173.24 172.29 1wgg s SER 3 N -3.24 0.27 0.00 2.44 1.04 -1.26 -4.77 113.70 108.19 1wgg s SER 3 Ca 0.22 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1wgg s SER 3 Cb 0.04 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1wgg s SER 3 CO 0.05 0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1wgg n GLY 4 N 2.99 -1.59 0.00 7.32 0.00 -1.19 -4.89 105.19 107.83 1wgg n GLY 4 Ca -0.13 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1wgg n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgg n SER 5 N 0.00 0.00 -0.09 1.61 2.88 -1.26 -4.18 113.62 112.58 1wgg n SER 5 Ca 0.00 0.89 -0.20 0.00 -1.33 0.00 0.00 58.87 58.23 1wgg n SER 5 Cb 0.00 -0.39 -0.12 0.00 -0.75 0.00 0.00 64.21 62.95 1wgg n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wgg h SER 6 N 0.00 0.02 -0.44 -3.46 0.02 -1.97 -3.46 113.55 104.25 1wgg h SER 6 Ca 0.00 -0.62 -0.76 0.00 -0.84 0.00 0.00 61.79 59.57 1wgg h SER 6 Cb 0.00 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1wgg h SER 6 CO 0.00 1.40 0.94 0.61 -1.14 0.00 0.00 176.83 178.65 1wgg n GLY 7 N 1.48 0.01 3.98 -3.77 0.00 -1.26 -4.63 105.19 101.00 1wgg n GLY 7 Ca -0.28 0.99 -0.21 0.00 0.00 0.00 0.00 46.02 46.53 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 4.22 3.09 -0.14 1.61 1.51 0.25 -3.14 117.35 124.75 1wgg s TYR 8 Ca 1.04 -0.04 0.01 0.00 -1.01 0.00 0.00 57.07 57.08 1wgg s TYR 8 Cb -1.39 -2.26 0.02 0.00 -0.11 0.00 0.00 41.96 38.22 1wgg s TYR 8 CO 0.68 -0.31 -0.16 -1.12 -1.11 0.00 0.00 175.55 173.53 1wgg s SER 9 N -4.24 2.72 0.37 2.29 0.01 -1.26 -1.85 113.70 111.73 1wgg s SER 9 Ca 0.49 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 57.28 1wgg s SER 9 Cb -0.10 -1.22 -0.04 0.00 0.21 0.00 0.00 66.02 64.87 1wgg s SER 9 CO 0.35 -0.01 0.10 0.68 0.41 0.00 0.00 173.24 174.76 1wgg s VAL 10 N 1.23 0.84 -0.16 3.43 -7.23 -1.23 -0.80 120.40 116.48 1wgg s VAL 10 Ca -0.00 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 1wgg s VAL 10 Cb -0.14 -2.53 0.01 0.00 0.56 0.00 0.00 36.38 34.27 1wgg s VAL 10 CO -0.07 0.00 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.66 1wgg s THR 11 N -3.27 2.41 -0.17 5.32 2.01 -1.14 -2.18 115.64 118.63 1wgg s THR 11 Ca 0.29 -0.85 -0.20 0.00 0.31 0.00 0.00 61.69 61.24 1wgg s THR 11 Cb 0.05 -2.01 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 1wgg s THR 11 CO 0.14 0.52 0.59 -0.69 -0.69 0.00 0.00 174.62 174.49 1wgg s VAL 12 N 0.99 5.07 -0.25 3.82 1.01 0.27 0.19 120.40 131.50 1wgg s VAL 12 Ca -0.02 1.13 -0.00 0.00 0.00 0.00 0.00 61.98 63.09 1wgg s VAL 12 Cb -0.15 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.36 1wgg s VAL 12 CO -0.04 0.18 -0.09 -0.75 0.00 0.00 0.00 175.10 174.40 1wgg s LYS 13 N 1.47 2.66 -0.21 2.72 2.20 0.78 -1.52 119.74 127.84 1wgg s LYS 13 Ca 0.28 -1.08 -0.01 0.00 -0.36 0.00 0.00 55.97 54.81 1wgg s LYS 13 Cb -0.16 -2.92 0.06 0.00 -1.51 0.00 0.00 37.83 33.30 1wgg s LYS 13 CO 0.11 -0.44 -0.02 -0.46 -0.36 0.00 0.00 175.35 174.18 1wgg s TRP 14 N 1.25 1.87 0.06 4.03 -0.00 -1.23 -1.70 118.94 123.22 1wgg s TRP 14 Ca -0.02 -1.39 -0.32 0.00 -0.00 0.00 0.00 56.10 54.37 1wgg s TRP 14 Cb -0.17 -1.37 -0.17 0.00 -0.00 0.00 0.00 33.47 31.76 1wgg s TRP 14 CO -0.06 -0.70 0.78 0.41 -0.00 0.00 0.00 176.95 177.38 1wgg n GLY 15 N 4.82 -0.70 1.83 5.86 0.00 -1.26 0.14 105.19 115.88 1wgg n GLY 15 Ca -0.11 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1wgg n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wgg n LYS 16 N 1.18 0.00 -4.37 1.61 4.81 -1.26 -4.97 118.16 115.17 1wgg n LYS 16 Ca 0.17 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.43 1wgg n LYS 16 Cb 0.12 -0.23 -0.10 0.00 0.02 0.00 0.00 35.03 34.84 1wgg n LYS 16 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1wgg s GLU 17 N -0.28 1.47 -0.06 1.64 0.41 0.37 -5.16 118.70 117.10 1wgg s GLU 17 Ca 0.00 -1.79 -0.03 0.00 -0.41 0.00 0.00 54.97 52.74 1wgg s GLU 17 Cb 0.00 -0.59 0.03 0.00 -1.78 0.00 0.00 34.13 31.79 1wgg s GLU 17 CO 0.00 -0.19 0.13 0.21 -0.49 0.00 0.00 175.26 174.92 1wgg s LYS 18 N -3.93 0.11 -0.16 1.61 2.20 -1.26 -3.54 119.74 114.77 1wgg s LYS 18 Ca 0.34 0.28 -0.04 0.00 -0.36 0.00 0.00 55.97 56.20 1wgg s LYS 18 Cb 0.07 -0.07 0.06 0.00 -1.51 0.00 0.00 37.83 36.38 1wgg s LYS 18 CO 0.13 -0.10 0.06 -0.06 -0.36 0.00 0.00 175.35 175.02 1wgg s PHE 19 N 0.70 0.50 -0.14 4.03 0.08 -0.57 -5.01 117.98 117.57 1wgg s PHE 19 Ca -0.05 -0.45 0.02 0.00 0.12 0.00 0.00 56.93 56.56 1wgg s PHE 19 Cb -0.07 -0.80 0.01 0.00 -0.57 0.00 0.00 43.02 41.59 1wgg s PHE 19 CO -0.03 -0.51 -0.19 -1.21 -0.10 0.00 0.00 175.22 173.18 1wgg s GLU 20 N 2.03 2.70 0.00 0.44 2.02 -1.26 -0.57 118.70 124.06 1wgg s GLU 20 Ca 0.01 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.28 1wgg s GLU 20 Cb -0.16 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.81 1wgg s GLU 20 CO -0.08 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.52 1wgg n GLY 21 N 4.30 0.67 3.77 -1.39 0.00 -1.24 -5.03 105.19 106.28 1wgg n GLY 21 Ca -0.19 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.33 4.42 -0.22 1.61 1.01 -0.93 -5.02 120.40 118.95 1wgg s VAL 22 Ca 0.00 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 1wgg s VAL 22 Cb 0.00 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 1wgg s VAL 22 CO 0.00 -0.01 0.59 -1.61 0.00 0.00 0.00 175.10 174.06 1wgg s GLU 23 N -2.80 4.17 0.00 2.72 2.02 -1.26 -3.53 118.70 120.02 1wgg s GLU 23 Ca 0.30 0.51 0.02 0.00 0.02 0.00 0.00 54.97 55.82 1wgg s GLU 23 Cb -0.11 -3.60 -0.01 0.00 0.10 0.00 0.00 34.13 30.51 1wgg s GLU 23 CO 0.22 -0.27 -0.08 -1.17 0.02 0.00 0.00 175.26 173.99 1wgg s LEU 24 N 2.02 2.05 0.05 1.80 2.96 -0.77 -4.95 118.68 121.84 1wgg s LEU 24 Ca 0.26 -0.20 0.06 0.00 -0.22 0.00 0.00 54.13 54.03 1wgg s LEU 24 Cb -0.16 -0.38 -0.03 0.00 0.50 0.00 0.00 46.19 46.13 1wgg s LEU 24 CO 0.10 0.06 -0.16 0.21 -1.32 0.00 0.00 176.35 175.23 1wgg s ASN 25 N -0.39 1.88 -0.08 3.68 2.47 -1.26 0.85 114.94 122.10 1wgg s ASN 25 Ca 0.01 -0.53 0.16 0.00 0.42 0.00 0.00 52.86 52.93 1wgg s ASN 25 Cb -0.04 -0.11 -0.24 0.00 -1.45 0.00 0.00 41.25 39.40 1wgg s ASN 25 CO -0.00 0.03 0.26 0.35 -3.72 0.00 0.00 177.10 174.02 1wgg n THR 26 N 1.67 0.43 0.17 -5.21 -2.24 -1.26 -4.30 114.28 103.52 1wgg n THR 26 Ca -0.19 -0.51 0.18 0.00 -2.27 0.00 0.00 64.05 61.27 1wgg n THR 26 Cb 0.54 -0.16 0.80 0.00 -2.10 0.00 0.00 70.33 69.41 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 1.82 -1.96 -3.42 116.42 110.40 1wgg h ASP 27 Ca -0.17 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 55.93 1wgg h ASP 27 Cb 1.26 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.24 1wgg h ASP 27 CO 0.01 0.00 -0.23 -0.62 -1.61 0.00 0.00 179.24 176.79 1wgg n GLU 28 N -3.72 0.69 -1.55 0.28 -0.58 -1.26 -5.13 120.64 109.37 1wgg n GLU 28 Ca 0.04 -3.27 -0.29 0.00 -0.42 0.00 0.00 57.16 53.21 1wgg n GLU 28 Cb 0.44 0.25 0.11 0.00 -0.57 0.00 0.00 31.44 31.67 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 1.73 0.18 3.49 0.04 -1.26 -4.72 135.00 130.22 1wgg s PRO 29 Ca 0.35 0.51 0.24 0.00 0.04 0.00 0.00 61.00 62.14 1wgg s PRO 29 Cb -0.03 -1.89 0.91 0.00 0.04 0.00 0.00 34.50 33.53 1wgg s PRO 29 CO 0.22 -1.84 1.74 -0.35 0.04 0.00 0.00 177.00 176.81 1wgg n PRO 30 N -3.56 0.18 -0.08 0.56 -0.04 -1.26 -3.07 135.00 127.72 1wgg n PRO 30 Ca 0.07 0.27 0.01 0.00 -0.04 0.00 0.00 63.50 63.81 1wgg n PRO 30 Cb 0.57 -1.76 0.31 0.00 -0.04 0.00 0.00 33.50 32.59 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 0.71 0.62 0.54 2.86 -1.84 -2.33 114.93 115.49 1wgg h MET 31 Ca 0.00 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1wgg h MET 31 Cb 0.51 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 32.03 1wgg h MET 31 CO 0.00 0.54 -0.30 0.28 1.06 0.00 0.00 176.91 178.49 1wgg h VAL 32 N 0.72 0.00 -1.24 -2.22 2.07 -1.93 0.62 116.25 114.26 1wgg h VAL 32 Ca 0.18 -0.05 0.37 0.00 0.82 0.00 0.00 66.70 68.03 1wgg h VAL 32 Cb 0.05 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.72 1wgg h VAL 32 CO -0.03 0.00 0.83 0.15 0.02 0.00 0.00 177.57 178.54 1wgg h PHE 33 N -0.88 0.45 0.07 1.57 3.57 -1.71 1.61 116.94 121.62 1wgg h PHE 33 Ca -0.08 0.02 -0.25 0.00 3.53 0.00 0.00 57.97 61.19 1wgg h PHE 33 Cb 0.64 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1wgg h PHE 33 CO 0.07 -0.06 -1.09 0.87 -2.23 0.00 0.00 178.31 175.87 1wgg h LYS 34 N 0.17 0.30 0.00 1.11 1.57 -1.05 -2.19 116.57 116.49 1wgg h LYS 34 Ca 0.70 -0.42 -0.07 0.00 -1.87 0.00 0.00 60.65 59.00 1wgg h LYS 34 Cb 2.23 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 34.67 1wgg h LYS 34 CO -0.28 1.14 -0.32 0.00 -0.57 0.00 0.00 179.45 179.43 1wgg h ALA 35 N 0.69 1.37 0.04 3.86 0.00 0.79 -2.88 119.26 123.13 1wgg h ALA 35 Ca -0.10 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 1wgg h ALA 35 Cb 1.78 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.53 1wgg h ALA 35 CO 0.18 0.40 -0.52 0.37 0.00 0.00 0.00 179.25 179.68 1wgg h GLN 36 N 0.00 0.28 -1.06 0.00 4.15 -0.28 -3.19 115.11 115.01 1wgg h GLN 36 Ca -0.00 -0.36 0.30 0.00 0.77 0.00 0.00 58.65 59.36 1wgg h GLN 36 Cb 0.60 0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.36 1wgg h GLN 36 CO 0.04 1.08 0.76 -0.07 -1.93 0.00 0.00 178.83 178.71 1wgg h LEU 37 N -0.36 0.05 -0.37 -2.39 3.38 -1.19 0.26 115.31 114.69 1wgg h LEU 37 Ca -0.08 0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.96 1wgg h LEU 37 Cb 1.30 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.00 1wgg h LEU 37 CO 0.10 0.01 0.07 0.15 0.09 0.00 0.00 178.44 178.86 1wgg h PHE 38 N 0.04 0.12 0.00 1.13 3.04 -1.50 0.42 116.94 120.19 1wgg h PHE 38 Ca 0.51 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.49 1wgg h PHE 38 Cb 1.97 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.49 1wgg h PHE 38 CO -0.00 0.01 0.00 0.00 -2.02 0.00 0.00 178.31 176.30 1wgg n ALA 39 N -2.43 2.33 0.01 2.41 0.00 0.86 0.21 120.51 123.91 1wgg n ALA 39 Ca 0.02 -0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.12 1wgg n ALA 39 Cb 0.17 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.05 1wgg n ALA 39 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wgg h LEU 40 N 0.00 0.43 0.00 0.00 3.38 0.15 -3.44 115.31 115.82 1wgg h LEU 40 Ca 0.00 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.06 1wgg h LEU 40 Cb 0.23 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1wgg h LEU 40 CO 0.00 1.81 -0.82 0.35 0.09 0.00 0.00 178.44 179.87 1wgg n THR 41 N -3.48 0.00 0.00 0.22 -2.24 0.11 -5.05 114.28 103.84 1wgg n THR 41 Ca -0.30 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1wgg n THR 41 Cb 1.05 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 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 2.73 1.12 3.91 3.38 0.00 0.57 -5.04 105.19 111.87 1wgg n GLY 42 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.69 5.10 0.69 1.61 1.01 -1.25 -4.81 120.40 121.05 1wgg s VAL 43 Ca 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 1wgg s VAL 43 Cb 0.00 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1wgg s VAL 43 CO 0.00 -0.22 1.11 -1.10 0.00 0.00 0.00 175.10 174.89 1wgg s GLN 44 N -3.34 2.65 0.00 2.72 -1.52 -1.26 -3.81 119.66 115.10 1wgg s GLN 44 Ca 0.42 1.35 0.22 0.00 -1.95 0.00 0.00 55.36 55.39 1wgg s GLN 44 Cb -0.11 -1.93 1.29 0.00 -0.22 0.00 0.00 33.01 32.04 1wgg s GLN 44 CO 0.29 -1.36 1.69 -0.35 -0.25 0.00 0.00 175.29 175.31 1wgg n PRO 45 N -2.69 0.75 -0.06 2.91 -0.04 -1.26 -0.87 135.00 133.74 1wgg n PRO 45 Ca 0.10 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.52 1wgg n PRO 45 Cb 0.52 -1.45 -0.11 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.95 1.80 0.03 0.55 0.00 -1.26 -4.55 120.51 116.13 1wgg n ALA 46 Ca 0.16 -0.82 -0.20 0.00 0.00 0.00 0.00 53.44 52.59 1wgg n ALA 46 Cb 0.07 -0.11 -0.14 0.00 0.00 0.00 0.00 19.45 19.27 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 0.00 0.27 -5.40 0.00 2.47 -1.84 -3.43 114.38 106.45 1wgg h ARG 47 Ca -0.31 -0.47 -0.11 0.00 -1.26 0.00 0.00 59.98 57.83 1wgg h ARG 47 Cb 1.67 0.17 0.00 0.00 -1.65 0.00 0.00 29.97 30.16 1wgg h ARG 47 CO 0.02 1.15 0.38 1.04 0.56 0.00 0.00 179.97 183.12 1wgg n GLN 48 N -3.46 0.66 -2.03 0.04 6.02 -0.05 -4.61 117.38 113.96 1wgg n GLN 48 Ca -0.25 -0.66 -0.30 0.00 -0.01 0.00 0.00 57.00 55.78 1wgg n GLN 48 Cb 1.06 -3.63 -0.05 0.00 1.02 0.00 0.00 30.24 28.64 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 8.78 2.54 -0.62 -1.09 2.20 -1.04 -4.81 119.74 125.70 1wgg s LYS 49 Ca 0.95 -0.00 -0.26 0.00 -0.36 0.00 0.00 55.97 56.30 1wgg s LYS 49 Cb -0.15 -4.86 0.04 0.00 -1.51 0.00 0.00 37.83 31.35 1wgg s LYS 49 CO 0.12 -3.23 1.10 0.08 -0.36 0.00 0.00 175.35 173.06 1wgg s VAL 50 N 9.96 4.11 0.89 4.02 1.01 -1.25 -2.95 120.40 136.18 1wgg s VAL 50 Ca 0.70 0.37 -0.12 0.00 0.00 0.00 0.00 61.98 62.93 1wgg s VAL 50 Cb -0.09 -4.71 0.12 0.00 0.00 0.00 0.00 36.38 31.71 1wgg s VAL 50 CO 0.06 -1.42 1.15 -0.04 0.00 0.00 0.00 175.10 174.85 1wgg s MET 51 N 4.69 1.33 0.08 2.72 -1.94 -0.62 -1.48 119.30 124.08 1wgg s MET 51 Ca 0.33 0.23 0.02 0.00 -1.71 0.00 0.00 55.69 54.56 1wgg s MET 51 Cb -0.11 -1.87 -0.04 0.00 2.01 0.00 0.00 34.83 34.83 1wgg s MET 51 CO 0.18 -2.05 -0.07 0.08 -0.01 0.00 0.00 175.02 173.15 1wgg s VAL 52 N -3.37 0.64 0.23 -6.03 1.01 0.40 -4.40 120.40 108.89 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 -0.14 -1.29 0.23 0.00 0.00 0.00 0.00 36.38 35.19 1wgg s VAL 52 CO 0.52 -0.69 1.02 0.29 0.00 0.00 0.00 175.10 176.24 1wgg n LYS 53 N 0.52 -0.04 -2.69 2.72 4.76 -1.26 -2.17 118.16 120.00 1wgg n LYS 53 Ca -0.16 0.90 -0.04 0.00 -2.87 0.00 0.00 58.31 56.14 1wgg n LYS 53 Cb 0.58 -1.60 0.12 0.00 -1.84 0.00 0.00 35.03 32.30 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 -1.19 1.75 0.00 0.72 0.00 -1.26 -5.14 105.19 100.07 1wgg n GLY 54 Ca 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.11 0.80 3.28 -0.02 0.00 -0.92 -5.17 105.19 102.05 1wgg n GLY 55 Ca -0.10 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 44.86 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 1.77 -0.22 2.61 2.01 -1.26 0.15 115.64 118.50 1wgg s THR 56 Ca 0.00 -1.30 -0.29 0.00 0.31 0.00 0.00 61.69 60.41 1wgg s THR 56 Cb 0.00 -1.54 0.01 0.00 0.01 0.00 0.00 72.50 70.97 1wgg s THR 56 CO 0.00 0.19 1.07 -0.22 -0.69 0.00 0.00 174.62 174.97 1wgg s LEU 57 N -1.32 4.11 0.00 4.42 0.20 -0.55 -4.90 118.68 120.65 1wgg s LEU 57 Ca 0.08 1.41 0.00 0.00 0.69 0.00 0.00 54.13 56.31 1wgg s LEU 57 Cb -0.09 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.13 1wgg s LEU 57 CO 0.02 -0.69 0.00 0.29 -0.29 0.00 0.00 176.35 175.69 1wgg n LYS 58 N 6.37 -1.39 -0.46 1.98 5.02 -1.26 -4.82 118.16 123.59 1wgg n LYS 58 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1wgg n LYS 58 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.47 1wgg n LYS 58 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1wgg n ASP 59 N -2.52 0.00 0.08 4.39 9.92 -1.26 -4.72 116.55 122.45 1wgg n ASP 59 Ca 0.00 -1.84 0.00 0.00 -0.53 0.00 0.00 54.79 52.42 1wgg n ASP 59 Cb 0.00 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 1wgg n ASP 59 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1wgg n ASP 60 N 0.00 0.38 -3.71 -2.24 8.00 -1.26 -4.52 116.55 113.20 1wgg n ASP 60 Ca 0.00 0.27 -0.14 0.00 0.71 0.00 0.00 54.79 55.64 1wgg n ASP 60 Cb 0.67 0.04 -0.09 0.00 -0.02 0.00 0.00 41.12 41.72 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 -5.33 -0.45 0.00 -2.24 1.01 -1.26 -4.30 116.67 104.11 1wgg s ASP 61 Ca 0.00 0.78 0.00 0.00 0.71 0.00 0.00 52.55 54.04 1wgg s ASP 61 Cb 0.00 0.81 0.00 0.00 1.01 0.00 0.00 42.92 44.74 1wgg s ASP 61 CO 0.00 -0.24 0.40 0.79 0.21 0.00 0.00 175.17 176.33 1wgg n TRP 62 N 2.45 0.00 -3.02 4.23 7.02 -1.26 -4.78 117.44 122.08 1wgg n TRP 62 Ca -0.15 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.16 1wgg n TRP 62 Cb 0.57 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.46 1wgg n TRP 62 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1wgg n GLY 63 N -0.19 -0.50 0.00 6.99 0.00 -1.26 -4.27 105.19 105.96 1wgg n GLY 63 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.84 0.00 -4.71 1.61 4.13 -1.26 -5.11 115.26 109.08 1wgg n ASN 64 Ca -0.15 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.69 1wgg n ASN 64 Cb 0.40 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.62 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 0.00 3.76 -1.21 2.41 1.01 -1.26 -4.93 121.20 120.98 1wgg s ILE 65 Ca 0.00 1.24 -0.07 0.00 0.00 0.00 0.00 60.65 61.82 1wgg s ILE 65 Cb 0.00 -3.80 0.22 0.00 0.01 0.00 0.00 42.46 38.89 1wgg s ILE 65 CO 0.00 0.08 1.79 0.29 0.00 0.00 0.00 174.94 177.10 1wgg n LYS 66 N 4.21 4.08 -0.96 2.79 4.01 -1.26 -5.01 118.16 126.02 1wgg n LYS 66 Ca 0.10 -3.91 -0.34 0.00 -0.51 0.00 0.00 58.31 53.65 1wgg n LYS 66 Cb 0.45 -2.74 0.04 0.00 -0.51 0.00 0.00 35.03 32.26 1wgg n LYS 66 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1wgg n MET 67 N 2.64 0.00 -3.51 1.97 2.81 -1.26 -5.01 117.12 114.76 1wgg n MET 67 Ca 0.37 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 56.11 1wgg n MET 67 Cb 0.34 -0.96 -0.05 0.00 -0.71 0.00 0.00 33.22 31.84 1wgg n MET 67 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1wgg s LYS 68 N -1.91 1.01 -0.14 0.03 0.00 -1.26 -5.11 119.74 112.35 1wgg s LYS 68 Ca 0.38 0.07 -0.26 0.00 0.00 0.00 0.00 55.97 56.16 1wgg s LYS 68 Cb -0.17 0.47 -0.02 0.00 0.00 0.00 0.00 37.83 38.12 1wgg s LYS 68 CO 0.79 -0.35 0.84 0.54 0.00 0.00 0.00 175.35 177.17 1wgg s ASN 69 N -1.56 7.01 0.00 0.03 2.20 -1.26 -3.79 114.94 117.57 1wgg s ASN 69 Ca -0.06 1.23 0.00 0.00 -0.94 0.00 0.00 52.86 53.09 1wgg s ASN 69 Cb -0.00 -2.46 0.00 0.00 -2.00 0.00 0.00 41.25 36.78 1wgg s ASN 69 CO 0.03 -0.36 0.00 0.61 -2.94 0.00 0.00 177.10 174.44 1wgg n GLY 70 N 3.36 3.79 3.24 0.45 0.00 0.02 -4.92 105.19 111.13 1wgg n GLY 70 Ca 0.04 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 1wgg n GLY 70 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wgg n MET 71 N 0.00 -2.13 -5.04 1.61 0.00 -1.25 -4.76 117.12 105.55 1wgg n MET 71 Ca 0.00 -0.61 -0.30 0.00 0.00 0.00 0.00 57.70 56.79 1wgg n MET 71 Cb 0.00 -1.72 -0.15 0.00 0.00 0.00 0.00 33.22 31.35 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 -2.21 2.00 -0.18 3.17 2.01 -1.26 -2.87 115.64 116.31 1wgg s THR 72 Ca 0.54 -1.22 -0.05 0.00 0.31 0.00 0.00 61.69 61.28 1wgg s THR 72 Cb -0.12 -1.69 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 1wgg s THR 72 CO 0.59 0.44 -0.01 -0.69 -0.69 0.00 0.00 174.62 174.26 1wgg s VAL 73 N -0.70 3.97 -0.20 3.82 1.01 0.50 -4.81 120.40 124.00 1wgg s VAL 73 Ca 0.10 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 1wgg s VAL 73 Cb -0.10 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1wgg s VAL 73 CO 0.01 0.45 0.06 -0.22 0.00 0.00 0.00 175.10 175.41 1wgg s LEU 74 N 0.73 3.74 -0.11 3.92 1.98 -1.26 -0.16 118.68 127.52 1wgg s LEU 74 Ca -0.00 0.02 0.03 0.00 -2.89 0.00 0.00 54.13 51.28 1wgg s LEU 74 Cb -0.14 -1.96 -0.00 0.00 0.66 0.00 0.00 46.19 44.75 1wgg s LEU 74 CO 0.02 0.13 -0.20 -0.32 -1.89 0.00 0.00 176.35 174.09 1wgg s MET 75 N 0.64 3.16 -0.20 1.98 1.75 -0.69 -1.58 119.30 124.36 1wgg s MET 75 Ca 0.03 -0.82 0.01 0.00 -1.25 0.00 0.00 55.69 53.67 1wgg s MET 75 Cb -0.13 -2.42 0.04 0.00 2.84 0.00 0.00 34.83 35.16 1wgg s MET 75 CO 0.02 0.18 -0.14 -1.64 -0.65 0.00 0.00 175.02 172.78 1wgg s MET 76 N 0.38 2.46 0.00 4.11 -1.94 -1.15 -4.52 119.30 118.63 1wgg s MET 76 Ca -0.16 -0.92 0.00 0.00 -1.71 0.00 0.00 55.69 52.91 1wgg s MET 76 Cb -0.17 -2.54 0.00 0.00 2.01 0.00 0.00 34.83 34.13 1wgg s MET 76 CO 0.07 -0.36 0.00 0.41 -0.01 0.00 0.00 175.02 175.14 1wgg n GLY 77 N 4.61 2.27 0.00 -0.03 0.00 -1.26 -2.50 105.19 108.28 1wgg n GLY 77 Ca -0.17 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1wgg n GLY 77 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgg n SER 78 N 0.00 0.00 -2.34 1.61 2.88 -1.26 -5.06 113.62 109.45 1wgg n SER 78 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1wgg n SER 78 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 1wgg n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wgg n ALA 79 N 0.00 -2.88 -3.84 -1.46 0.00 -1.26 -4.92 120.51 106.15 1wgg n ALA 79 Ca 0.00 0.62 -0.30 0.00 0.00 0.00 0.00 53.44 53.75 1wgg n ALA 79 Cb 0.00 -2.11 -0.15 0.00 0.00 0.00 0.00 19.45 17.19 1wgg n ALA 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wgg s ASP 80 N -2.07 4.23 0.07 0.00 1.01 -1.26 -4.99 116.67 113.65 1wgg s ASP 80 Ca 0.13 -2.08 -0.01 0.00 0.71 0.00 0.00 52.55 51.31 1wgg s ASP 80 Cb -0.04 -1.20 -0.04 0.00 1.01 0.00 0.00 42.92 42.65 1wgg s ASP 80 CO 0.47 -0.37 -0.02 0.00 0.21 0.00 0.00 175.17 175.46 1wgg s ALA 81 N 1.03 0.62 0.54 5.23 0.00 -1.26 -5.11 121.76 122.81 1wgg s ALA 81 Ca 0.12 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1wgg s ALA 81 Cb -0.20 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.25 1wgg s ALA 81 CO -0.13 -0.37 0.00 1.47 0.00 0.00 0.00 175.76 176.73 1wgg n LEU 82 N 0.06 -0.90 -4.56 0.00 -0.00 -1.26 -4.39 117.00 105.96 1wgg n LEU 82 Ca -0.13 2.09 -0.35 0.00 -0.00 0.00 0.00 56.01 57.63 1wgg n LEU 82 Cb 0.61 -2.86 -0.04 0.00 -0.00 0.00 0.00 43.42 41.13 1wgg n LEU 82 CO 0.29 -1.82 1.41 -2.16 -0.00 0.00 0.00 177.39 175.11 1wgg s PRO 83 N -4.48 3.06 0.55 1.47 0.04 -1.26 -4.96 135.00 129.42 1wgg s PRO 83 Ca 0.00 -0.56 -0.18 0.00 0.04 0.00 0.00 61.00 60.30 1wgg s PRO 83 Cb 0.00 -5.06 -0.11 0.00 0.04 0.00 0.00 34.50 29.37 1wgg s PRO 83 CO 0.00 -2.72 0.25 -1.91 0.04 0.00 0.00 177.00 172.66 1wgg n GLU 84 N 8.94 0.29 0.01 4.56 4.07 -1.26 -4.86 120.64 132.40 1wgg n GLU 84 Ca 0.32 0.12 -0.11 0.00 -0.06 0.00 0.00 57.16 57.43 1wgg n GLU 84 Cb 0.49 -1.42 -0.04 0.00 -0.06 0.00 0.00 31.44 30.41 1wgg n GLU 84 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1wgg h GLU 85 N 0.10 -0.41 -7.29 5.31 4.81 -1.97 -3.42 114.58 111.71 1wgg h GLU 85 Ca -0.44 0.03 -0.51 0.00 -0.13 0.00 0.00 59.36 58.32 1wgg h GLU 85 Cb 1.42 0.09 0.08 0.00 0.63 0.00 0.00 28.75 30.97 1wgg h GLU 85 CO 0.44 -0.27 0.37 -1.25 -0.73 0.00 0.00 179.01 177.58 1wgg s PRO 86 N -5.98 3.09 0.11 0.92 0.04 -1.26 -4.98 135.00 126.94 1wgg s PRO 86 Ca -0.15 1.03 0.18 0.00 0.04 0.00 0.00 61.00 62.10 1wgg s PRO 86 Cb 0.10 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.55 1wgg s PRO 86 CO 0.66 -0.98 0.91 0.77 0.04 0.00 0.00 177.00 178.40 1wgg h SER 87 N -0.32 0.00 0.00 6.66 0.02 -2.00 -3.42 113.55 114.49 1wgg h SER 87 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1wgg h SER 87 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1wgg h SER 87 CO 0.57 0.40 0.00 0.00 -1.14 0.00 0.00 176.83 176.66 1wgg n ALA 88 N -2.32 0.45 0.00 3.77 0.00 -1.26 -4.99 120.51 116.16 1wgg n ALA 88 Ca -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1wgg n ALA 88 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.20 1wgg n ALA 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1wgg n LYS 89 N -2.24 0.00 -0.02 0.00 0.00 -1.26 -3.33 118.16 111.31 1wgg n LYS 89 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.28 1wgg n LYS 89 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 1wgg n LYS 89 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1wgg n THR 90 N 0.00 0.26 -3.33 3.15 5.66 -1.26 -5.08 114.28 113.68 1wgg n THR 90 Ca 0.00 -0.13 -0.30 0.00 -3.05 0.00 0.00 64.05 60.57 1wgg n THR 90 Cb 0.00 -0.79 0.03 0.00 -1.55 0.00 0.00 70.33 68.02 1wgg n THR 90 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1wgg n SER 91 N -2.38 -6.19 -0.56 1.09 7.64 -1.21 -5.01 113.62 107.00 1wgg n SER 91 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1wgg n SER 91 Cb 0.60 -2.75 0.00 0.00 -1.01 0.00 0.00 64.21 61.06 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 -0.30 4.40 0.08 0.23 0.00 -1.26 -5.08 105.19 103.26 1wgg n GLY 92 Ca -0.04 -1.51 -0.12 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.06 -6.12 1.61 0.13 -2.06 -3.49 132.00 122.01 1wgg h PRO 93 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.87 1wgg h PRO 93 Cb 0.00 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.16 1wgg h PRO 93 CO 0.00 0.57 -0.95 0.43 -0.23 0.00 0.00 178.00 177.81 1wgg n SER 94 N -4.78 -6.33 -3.66 1.44 7.64 -1.26 -5.01 113.62 101.65 1wgg n SER 94 Ca -0.08 0.04 -0.15 0.00 1.01 0.00 0.00 58.87 59.69 1wgg n SER 94 Cb 0.32 -2.96 -0.08 0.00 -1.01 0.00 0.00 64.21 60.49 1wgg n SER 94 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wgg s SER 95 N -1.94 -0.44 0.00 6.43 1.04 -1.26 -5.27 113.70 112.27 1wgg s SER 95 Ca 0.32 0.55 0.00 0.00 0.48 0.00 0.00 55.95 57.30 1wgg s SER 95 Cb -0.05 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1wgg s SER 95 CO 0.84 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 175.24