#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 -8.18 0.15 1.61 7.64 -1.26 -5.05 113.62 108.53 1wgg n SER 2 Ca 0.00 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.07 1wgg n SER 2 Cb 0.00 -4.44 0.00 0.00 -1.01 0.00 0.00 64.21 58.76 1wgg n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgg n SER 3 N 1.24 -2.65 -3.17 6.43 7.64 -1.26 -5.12 113.62 116.73 1wgg n SER 3 Ca 0.00 0.65 0.05 0.00 1.01 0.00 0.00 58.87 60.58 1wgg n SER 3 Cb 0.00 2.62 -0.02 0.00 -1.01 0.00 0.00 64.21 65.80 1wgg n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wgg s GLY 4 N -2.00 -0.21 0.29 0.23 0.00 -1.26 -5.18 107.32 99.19 1wgg s GLY 4 Ca 0.00 2.97 -0.09 0.00 0.00 0.00 0.00 44.72 47.60 1wgg s GLY 4 CO 0.00 3.77 0.47 -1.35 0.00 0.00 0.00 173.10 175.99 1wgg s SER 5 N 2.84 0.27 0.01 1.64 1.04 -1.26 -5.08 113.70 113.16 1wgg s SER 5 Ca -0.03 -1.17 -0.26 0.00 0.48 0.00 0.00 55.95 54.98 1wgg s SER 5 Cb -0.09 0.61 -0.15 0.00 0.10 0.00 0.00 66.02 66.50 1wgg s SER 5 CO -0.11 -1.21 1.15 0.28 0.98 0.00 0.00 173.24 174.33 1wgg h SER 6 N 2.22 -0.59 -0.53 7.02 0.02 -2.02 -3.43 113.55 116.23 1wgg h SER 6 Ca -0.28 -0.06 -0.72 0.00 -0.84 0.00 0.00 61.79 59.89 1wgg h SER 6 Cb 1.25 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.93 1wgg h SER 6 CO 0.38 -0.22 0.81 0.61 -1.14 0.00 0.00 176.83 177.27 1wgg n GLY 7 N -0.47 0.05 3.87 -3.77 0.00 -1.26 -4.58 105.19 99.02 1wgg n GLY 7 Ca -0.11 0.91 -0.28 0.00 0.00 0.00 0.00 46.02 46.54 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 3.59 3.35 -0.22 1.61 2.02 0.51 -4.94 117.35 123.27 1wgg s TYR 8 Ca 0.96 0.10 -0.03 0.00 -0.37 0.00 0.00 57.07 57.73 1wgg s TYR 8 Cb -1.30 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 38.63 1wgg s TYR 8 CO 0.66 0.53 -0.07 -1.12 -1.57 0.00 0.00 175.55 173.98 1wgg s SER 9 N -2.87 4.11 0.41 2.29 0.01 -1.26 -1.38 113.70 115.01 1wgg s SER 9 Ca 0.33 -0.53 0.03 0.00 1.31 0.00 0.00 55.95 57.09 1wgg s SER 9 Cb -0.11 -1.68 -0.04 0.00 0.21 0.00 0.00 66.02 64.40 1wgg s SER 9 CO 0.26 -0.04 0.08 0.68 0.41 0.00 0.00 173.24 174.63 1wgg s VAL 10 N 1.42 0.94 -0.15 3.43 -7.23 -1.24 0.27 120.40 117.84 1wgg s VAL 10 Ca 0.05 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.23 1wgg s VAL 10 Cb -0.15 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.34 1wgg s VAL 10 CO -0.05 0.00 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.65 1wgg s THR 11 N -3.14 2.17 -0.16 5.32 2.01 -0.97 -3.42 115.64 117.45 1wgg s THR 11 Ca 0.24 -0.93 -0.20 0.00 0.31 0.00 0.00 61.69 61.11 1wgg s THR 11 Cb 0.04 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 1wgg s THR 11 CO 0.13 0.54 0.58 -0.69 -0.69 0.00 0.00 174.62 174.49 1wgg s VAL 12 N 0.90 5.08 -0.28 3.82 1.01 0.35 0.19 120.40 131.46 1wgg s VAL 12 Ca -0.05 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.06 1wgg s VAL 12 Cb -0.15 -3.91 0.06 0.00 0.00 0.00 0.00 36.38 32.37 1wgg s VAL 12 CO -0.03 0.19 -0.05 -0.75 0.00 0.00 0.00 175.10 174.46 1wgg s LYS 13 N 1.42 2.33 -0.46 2.72 2.20 0.71 -0.69 119.74 127.97 1wgg s LYS 13 Ca 0.28 -1.32 0.02 0.00 -0.36 0.00 0.00 55.97 54.59 1wgg s LYS 13 Cb -0.16 -3.05 0.12 0.00 -1.51 0.00 0.00 37.83 33.23 1wgg s LYS 13 CO 0.11 -0.61 0.22 -0.46 -0.36 0.00 0.00 175.35 174.25 1wgg s TRP 14 N 1.18 3.48 0.00 4.03 -0.00 -0.58 -2.01 118.94 125.04 1wgg s TRP 14 Ca -0.07 -2.91 0.00 0.00 -0.00 0.00 0.00 56.10 53.12 1wgg s TRP 14 Cb -0.20 -2.99 0.00 0.00 -0.00 0.00 0.00 33.47 30.28 1wgg s TRP 14 CO -0.03 -0.86 0.00 0.41 -0.00 0.00 0.00 176.95 176.47 1wgg n GLY 15 N 3.79 2.12 0.37 5.86 0.00 -1.26 0.19 105.19 116.26 1wgg n GLY 15 Ca 0.04 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 1wgg n GLY 15 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1wgg h LYS 16 N 0.00 0.57 -7.01 1.61 2.10 -2.01 -3.41 116.57 108.43 1wgg h LYS 16 Ca 0.00 -0.03 -0.50 0.00 -2.00 0.00 0.00 60.65 58.12 1wgg h LYS 16 Cb 0.00 -0.13 0.05 0.00 -0.90 0.00 0.00 32.23 31.25 1wgg h LYS 16 CO 0.00 0.38 0.45 -1.21 -2.00 0.00 0.00 179.45 177.06 1wgg s GLU 17 N -5.57 3.84 -0.05 0.07 0.41 0.50 -5.05 118.70 112.85 1wgg s GLU 17 Ca -0.09 1.64 -0.03 0.00 -0.41 0.00 0.00 54.97 56.08 1wgg s GLU 17 Cb 0.21 -2.37 0.03 0.00 -1.78 0.00 0.00 34.13 30.22 1wgg s GLU 17 CO 0.78 -0.45 0.12 0.21 -0.49 0.00 0.00 175.26 175.43 1wgg s LYS 18 N -2.76 0.10 -0.19 1.61 2.20 -1.26 -1.52 119.74 117.92 1wgg s LYS 18 Ca 0.63 0.26 -0.02 0.00 -0.36 0.00 0.00 55.97 56.48 1wgg s LYS 18 Cb -0.25 -0.07 0.06 0.00 -1.51 0.00 0.00 37.83 36.05 1wgg s LYS 18 CO 0.30 -0.10 0.02 -0.06 -0.36 0.00 0.00 175.35 175.15 1wgg s PHE 19 N 0.66 1.17 -0.18 4.03 0.08 0.14 -4.98 117.98 118.90 1wgg s PHE 19 Ca -0.05 -0.91 -0.01 0.00 0.12 0.00 0.00 56.93 56.08 1wgg s PHE 19 Cb -0.07 -1.08 -0.00 0.00 -0.57 0.00 0.00 43.02 41.30 1wgg s PHE 19 CO -0.03 -0.61 -0.13 -1.21 -0.10 0.00 0.00 175.22 173.15 1wgg s GLU 20 N 1.81 3.24 0.00 0.44 2.02 -1.26 -0.50 118.70 124.45 1wgg s GLU 20 Ca -0.01 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.26 1wgg s GLU 20 Cb -0.17 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.33 1wgg s GLU 20 CO -0.08 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.55 1wgg n GLY 21 N 4.32 0.72 3.62 -1.39 0.00 -1.26 -5.05 105.19 106.16 1wgg n GLY 21 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.83 5.09 -0.09 1.61 1.01 -1.22 -5.05 120.40 120.91 1wgg s VAL 22 Ca 0.00 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 1wgg s VAL 22 Cb 0.00 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1wgg s VAL 22 CO 0.00 0.37 1.43 -1.61 0.00 0.00 0.00 175.10 175.28 1wgg s GLU 23 N 1.00 4.23 -0.03 2.72 8.01 -1.26 -3.70 118.70 129.67 1wgg s GLU 23 Ca 0.06 1.91 0.05 0.00 0.01 0.00 0.00 54.97 57.00 1wgg s GLU 23 Cb -0.14 -3.81 -0.01 0.00 -4.31 0.00 0.00 34.13 25.87 1wgg s GLU 23 CO 0.04 -0.73 -0.16 -1.17 0.01 0.00 0.00 175.26 173.25 1wgg s LEU 24 N 3.47 1.97 0.02 1.80 2.96 -0.48 -4.97 118.68 123.45 1wgg s LEU 24 Ca 0.63 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 54.27 1wgg s LEU 24 Cb -0.28 -0.88 -0.02 0.00 0.50 0.00 0.00 46.19 45.51 1wgg s LEU 24 CO 0.22 0.18 -0.14 0.21 -1.32 0.00 0.00 176.35 175.50 1wgg s ASN 25 N -0.18 1.60 0.03 3.68 2.47 -1.26 0.19 114.94 121.47 1wgg s ASN 25 Ca 0.02 -0.37 0.21 0.00 0.42 0.00 0.00 52.86 53.14 1wgg s ASN 25 Cb -0.09 -0.13 -0.19 0.00 -1.45 0.00 0.00 41.25 39.39 1wgg s ASN 25 CO 0.01 0.08 0.66 0.35 -3.72 0.00 0.00 177.10 174.47 1wgg n THR 26 N 2.25 0.58 0.13 -5.21 -2.24 -1.26 -4.04 114.28 104.48 1wgg n THR 26 Ca -0.16 -0.59 0.19 0.00 -2.27 0.00 0.00 64.05 61.22 1wgg n THR 26 Cb 0.55 -0.30 0.75 0.00 -2.10 0.00 0.00 70.33 69.24 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 -0.72 3.42 3.58 -1.95 -3.41 116.42 117.33 1wgg h ASP 27 Ca -0.10 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.81 1wgg h ASP 27 Cb 1.27 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.29 1wgg h ASP 27 CO 0.01 0.00 -0.25 -1.61 -2.88 0.00 0.00 179.24 174.52 1wgg s GLU 28 N -4.54 2.30 0.90 0.28 2.02 -1.26 -5.13 118.70 113.27 1wgg s GLU 28 Ca -0.04 -1.86 -0.12 0.00 0.02 0.00 0.00 54.97 52.97 1wgg s GLU 28 Cb 0.14 -2.30 0.13 0.00 0.10 0.00 0.00 34.13 32.21 1wgg s GLU 28 CO 0.51 -0.65 1.13 -1.25 0.02 0.00 0.00 175.26 175.02 1wgg s PRO 29 N -4.39 1.26 0.00 0.39 0.04 -1.26 -4.81 135.00 126.23 1wgg s PRO 29 Ca 0.44 0.33 0.23 0.00 0.04 0.00 0.00 61.00 62.04 1wgg s PRO 29 Cb -0.03 -1.85 1.15 0.00 0.04 0.00 0.00 34.50 33.81 1wgg s PRO 29 CO 0.27 -2.13 1.74 -0.35 0.04 0.00 0.00 177.00 176.58 1wgg n PRO 30 N -3.73 0.33 0.09 0.56 -0.04 -1.26 -2.72 135.00 128.24 1wgg n PRO 30 Ca 0.07 0.07 -0.04 0.00 -0.04 0.00 0.00 63.50 63.55 1wgg n PRO 30 Cb 0.59 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1wgg n PRO 30 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1wgg h MET 31 N 0.00 0.00 0.67 0.54 2.86 -1.81 -3.11 114.93 114.08 1wgg h MET 31 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1wgg h MET 31 Cb 0.21 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.88 1wgg h MET 31 CO 0.00 0.84 -0.32 0.28 1.06 0.00 0.00 176.91 178.76 1wgg h VAL 32 N 0.00 0.00 -1.09 -2.22 2.07 -1.89 0.39 116.25 113.51 1wgg h VAL 32 Ca -0.01 -0.18 0.30 0.00 0.82 0.00 0.00 66.70 67.63 1wgg h VAL 32 Cb 1.50 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 1wgg h VAL 32 CO 0.11 0.00 0.75 0.15 0.02 0.00 0.00 177.57 178.60 1wgg h PHE 33 N -1.08 0.27 0.00 1.57 3.57 -1.71 1.54 116.94 121.09 1wgg h PHE 33 Ca -0.09 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.27 1wgg h PHE 33 Cb 0.69 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1wgg h PHE 33 CO 0.03 0.02 -0.75 0.87 -2.23 0.00 0.00 178.31 176.25 1wgg h LYS 34 N 0.16 0.00 -0.02 1.11 1.57 -1.43 -2.80 116.57 115.16 1wgg h LYS 34 Ca 0.56 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.26 1wgg h LYS 34 Cb 1.89 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.18 1wgg h LYS 34 CO -0.13 0.69 -0.37 0.00 -0.57 0.00 0.00 179.45 179.07 1wgg h ALA 35 N 1.29 1.34 0.04 3.86 0.00 0.66 -2.51 119.26 123.94 1wgg h ALA 35 Ca -0.02 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1wgg h ALA 35 Cb 1.55 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.29 1wgg h ALA 35 CO 0.09 0.49 -0.43 0.37 0.00 0.00 0.00 179.25 179.76 1wgg h GLN 36 N 0.04 0.21 -0.82 0.00 4.15 -1.14 -3.22 115.11 114.34 1wgg h GLN 36 Ca 0.00 -0.29 0.22 0.00 0.77 0.00 0.00 58.65 59.35 1wgg h GLN 36 Cb 0.68 0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.42 1wgg h GLN 36 CO 0.05 1.06 0.57 -0.07 -1.93 0.00 0.00 178.83 178.52 1wgg h LEU 37 N -0.50 0.13 -1.65 -2.39 3.38 -1.36 0.55 115.31 113.47 1wgg h LEU 37 Ca -0.07 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1wgg h LEU 37 Cb 1.25 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1wgg h LEU 37 CO 0.08 0.05 0.29 0.15 0.09 0.00 0.00 178.44 179.11 1wgg h PHE 38 N 0.13 0.44 -0.01 1.13 3.57 -1.46 1.68 116.94 122.42 1wgg h PHE 38 Ca 0.40 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.91 1wgg h PHE 38 Cb 1.39 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1wgg h PHE 38 CO -0.00 0.26 -0.41 0.00 -2.23 0.00 0.00 178.31 175.93 1wgg n ALA 39 N -2.50 3.41 -0.10 2.41 0.00 0.18 -1.22 120.51 122.70 1wgg n ALA 39 Ca 0.05 -0.47 -0.21 0.00 0.00 0.00 0.00 53.44 52.81 1wgg n ALA 39 Cb 0.17 -1.02 -0.12 0.00 0.00 0.00 0.00 19.45 18.47 1wgg n ALA 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wgg n LEU 40 N -0.71 2.69 -0.07 0.00 4.77 0.57 -4.78 117.00 119.47 1wgg n LEU 40 Ca 0.10 0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.99 1wgg n LEU 40 Cb 0.37 -0.95 -0.04 0.00 -2.33 0.00 0.00 43.42 40.47 1wgg n LEU 40 CO 0.29 0.83 -0.80 0.35 -1.33 0.00 0.00 177.39 176.73 1wgg n THR 41 N -3.52 1.24 0.00 -5.08 -2.24 0.54 -5.05 114.28 100.17 1wgg n THR 41 Ca -0.43 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1wgg n THR 41 Cb 0.97 -1.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 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 1.96 1.04 3.73 3.38 0.00 -0.36 -5.03 105.19 109.91 1wgg n GLY 42 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.66 2.91 0.76 1.61 1.01 -1.26 -4.81 120.40 119.96 1wgg s VAL 43 Ca 0.00 0.69 -0.16 0.00 0.00 0.00 0.00 61.98 62.51 1wgg s VAL 43 Cb 0.00 -3.44 -0.07 0.00 0.00 0.00 0.00 36.38 32.87 1wgg s VAL 43 CO 0.00 0.07 0.12 0.00 0.00 0.00 0.00 175.10 175.30 1wgg n GLN 44 N 3.38 0.11 0.00 2.72 1.13 -1.26 -4.15 117.38 119.32 1wgg n GLN 44 Ca 0.10 0.06 0.11 0.00 -1.94 0.00 0.00 57.00 55.34 1wgg n GLN 44 Cb 0.41 -1.51 0.65 0.00 0.11 0.00 0.00 30.24 29.90 1wgg n GLN 44 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1wgg n PRO 45 N 0.23 0.75 -0.13 -1.09 -0.04 -1.26 -0.39 135.00 133.07 1wgg n PRO 45 Ca 0.07 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.29 1wgg n PRO 45 Cb 0.51 -1.46 -0.10 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 -0.96 1.38 0.10 0.55 0.00 -1.26 -4.49 120.51 115.83 1wgg n ALA 46 Ca 0.16 -1.03 -0.03 0.00 0.00 0.00 0.00 53.44 52.54 1wgg n ALA 46 Cb 0.08 0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.58 0.00 -5.40 0.00 -0.00 -1.88 -3.43 114.38 103.08 1wgg h ARG 47 Ca -0.61 0.00 -0.39 0.00 -0.50 0.00 0.00 59.98 58.48 1wgg h ARG 47 Cb 1.67 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.62 1wgg h ARG 47 CO -0.28 0.78 1.42 1.04 0.00 0.00 0.00 179.97 182.93 1wgg n GLN 48 N -3.35 0.68 -2.37 0.04 6.02 0.47 -4.64 117.38 114.24 1wgg n GLN 48 Ca 0.01 -0.15 -0.37 0.00 -0.01 0.00 0.00 57.00 56.48 1wgg n GLN 48 Cb 0.83 -2.95 -0.04 0.00 1.02 0.00 0.00 30.24 29.10 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 8.47 3.14 -0.53 -1.09 2.20 0.19 -4.84 119.74 127.29 1wgg s LYS 49 Ca 1.07 -0.56 -0.22 0.00 -0.36 0.00 0.00 55.97 55.90 1wgg s LYS 49 Cb -0.43 -4.96 0.05 0.00 -1.51 0.00 0.00 37.83 30.97 1wgg s LYS 49 CO 0.30 -2.56 0.83 0.08 -0.36 0.00 0.00 175.35 173.64 1wgg s VAL 50 N 6.89 4.56 0.82 4.02 1.01 -1.26 -0.33 120.40 136.11 1wgg s VAL 50 Ca 0.53 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.44 1wgg s VAL 50 Cb -0.05 -4.45 0.09 0.00 0.00 0.00 0.00 36.38 31.98 1wgg s VAL 50 CO 0.00 -0.99 1.19 -0.04 0.00 0.00 0.00 175.10 175.26 1wgg s MET 51 N 3.49 1.84 0.08 2.72 -1.94 0.29 -1.94 119.30 123.84 1wgg s MET 51 Ca 0.26 0.03 0.02 0.00 -1.71 0.00 0.00 55.69 54.29 1wgg s MET 51 Cb -0.15 -1.95 -0.04 0.00 2.01 0.00 0.00 34.83 34.71 1wgg s MET 51 CO 0.17 -1.66 -0.07 0.08 -0.01 0.00 0.00 175.02 173.53 1wgg s VAL 52 N -3.59 0.62 0.29 -6.03 1.01 0.44 -3.98 120.40 109.15 1wgg s VAL 52 Ca 0.63 -1.63 0.19 0.00 0.00 0.00 0.00 61.98 61.18 1wgg s VAL 52 Cb -0.10 -1.29 0.30 0.00 0.00 0.00 0.00 36.38 35.29 1wgg s VAL 52 CO 0.49 -0.70 1.11 0.29 0.00 0.00 0.00 175.10 176.28 1wgg n LYS 53 N 0.50 -0.03 -2.62 2.72 5.02 -1.26 -2.20 118.16 120.28 1wgg n LYS 53 Ca -0.16 0.93 -0.03 0.00 -2.02 0.00 0.00 58.31 57.03 1wgg n LYS 53 Cb 0.59 -1.74 0.12 0.00 -0.02 0.00 0.00 35.03 33.97 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 -1.28 1.71 0.00 0.72 0.00 -1.26 -5.14 105.19 99.94 1wgg n GLY 54 Ca 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.26 0.94 3.19 -0.02 0.00 -0.93 -5.17 105.19 101.93 1wgg n GLY 55 Ca -0.14 -0.86 -0.21 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 -2.33 1.32 -0.12 2.61 2.01 -1.26 0.17 115.64 118.04 1wgg s THR 56 Ca 0.00 -1.20 -0.29 0.00 0.31 0.00 0.00 61.69 60.50 1wgg s THR 56 Cb 0.00 -1.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.29 1wgg s THR 56 CO 0.00 -0.02 1.26 -0.22 -0.69 0.00 0.00 174.62 174.95 1wgg s LEU 57 N -1.42 4.22 0.00 4.42 0.20 -0.82 -4.92 118.68 120.37 1wgg s LEU 57 Ca 0.03 1.77 -0.02 0.00 0.69 0.00 0.00 54.13 56.59 1wgg s LEU 57 Cb -0.09 -3.54 0.03 0.00 -0.43 0.00 0.00 46.19 42.16 1wgg s LEU 57 CO 0.02 -0.71 0.11 0.29 -0.29 0.00 0.00 176.35 175.77 1wgg n LYS 58 N 6.16 -1.17 0.00 1.98 5.02 -1.26 -4.88 118.16 124.01 1wgg n LYS 58 Ca 0.13 -0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1wgg n LYS 58 Cb 0.45 -0.16 0.00 0.00 -0.02 0.00 0.00 35.03 35.30 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 -3.18 1.23 0.40 4.39 5.75 -1.26 -4.58 116.55 119.29 1wgg n ASP 59 Ca 0.02 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.62 1wgg n ASP 59 Cb 0.06 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.06 1wgg n ASP 59 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1wgg h ASP 60 N 0.00 -0.84 -5.07 -1.12 1.82 -1.97 -3.36 116.42 105.88 1wgg h ASP 60 Ca 0.00 0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.64 1wgg h ASP 60 Cb 0.63 0.22 -0.10 0.00 0.68 0.00 0.00 39.33 40.75 1wgg h ASP 60 CO 0.00 -0.56 0.05 -1.81 -1.61 0.00 0.00 179.24 175.31 1wgg s ASP 61 N -4.35 -0.30 -0.02 2.28 1.11 -1.26 -4.67 116.67 109.45 1wgg s ASP 61 Ca -0.18 -0.40 -0.15 0.00 0.18 0.00 0.00 52.55 52.00 1wgg s ASP 61 Cb 0.03 0.58 -0.08 0.00 1.07 0.00 0.00 42.92 44.51 1wgg s ASP 61 CO 0.59 -1.03 0.72 -0.50 1.18 0.00 0.00 175.17 176.13 1wgg h TRP 62 N 2.18 -0.51 -1.21 4.23 4.06 -1.91 -3.41 115.95 119.38 1wgg h TRP 62 Ca -0.30 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.64 1wgg h TRP 62 Cb 1.27 0.17 0.00 0.00 -1.00 0.00 0.00 29.16 29.60 1wgg h TRP 62 CO 0.33 -0.32 0.00 0.41 -3.56 0.00 0.00 178.44 175.31 1wgg n GLY 63 N 0.17 0.75 3.67 1.49 0.00 -1.26 -4.52 105.19 105.49 1wgg n GLY 63 Ca -0.07 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.61 -5.44 -4.77 1.61 4.13 -1.26 -4.91 115.26 104.02 1wgg n ASN 64 Ca 0.00 -0.90 -0.40 0.00 1.68 0.00 0.00 54.58 54.97 1wgg n ASN 64 Cb 0.23 -3.00 -0.06 0.00 -1.54 0.00 0.00 39.78 35.42 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 -3.27 4.50 -1.18 2.41 1.01 -1.26 -4.95 121.20 118.45 1wgg s ILE 65 Ca 0.28 1.68 -0.22 0.00 0.00 0.00 0.00 60.65 62.39 1wgg s ILE 65 Cb -0.11 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 1wgg s ILE 65 CO 0.87 0.47 1.88 -0.54 0.00 0.00 0.00 174.94 177.62 1wgg s LYS 66 N -0.77 2.84 -0.06 2.79 -0.14 -1.26 -4.92 119.74 118.23 1wgg s LYS 66 Ca 0.37 -1.27 -0.04 0.00 -1.36 0.00 0.00 55.97 53.67 1wgg s LYS 66 Cb -0.22 -5.29 -0.04 0.00 -1.68 0.00 0.00 37.83 30.59 1wgg s LYS 66 CO 0.25 -3.53 0.14 -1.64 -0.76 0.00 0.00 175.35 169.82 1wgg s MET 67 N 6.00 3.37 0.03 1.68 -1.94 -1.26 -5.07 119.30 122.12 1wgg s MET 67 Ca 0.65 -0.26 0.02 0.00 -1.71 0.00 0.00 55.69 54.38 1wgg s MET 67 Cb -0.00 -3.09 -0.02 0.00 2.01 0.00 0.00 34.83 33.72 1wgg s MET 67 CO 0.10 0.72 -0.06 -1.59 -0.01 0.00 0.00 175.02 174.18 1wgg s LYS 68 N -1.48 0.46 -0.61 2.03 -2.85 -1.26 -5.10 119.74 110.93 1wgg s LYS 68 Ca 0.21 -0.69 -0.27 0.00 -1.00 0.00 0.00 55.97 54.21 1wgg s LYS 68 Cb -0.12 -0.17 0.03 0.00 -2.06 0.00 0.00 37.83 35.51 1wgg s LYS 68 CO 0.11 0.02 1.16 -0.80 0.10 0.00 0.00 175.35 175.94 1wgg s ASN 69 N -1.49 6.36 0.00 0.03 -0.87 -1.26 -3.06 114.94 114.65 1wgg s ASN 69 Ca -0.11 -0.13 0.00 0.00 -1.57 0.00 0.00 52.86 51.05 1wgg s ASN 69 Cb -0.10 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.60 1wgg s ASN 69 CO -0.00 -1.51 0.00 0.61 -2.57 0.00 0.00 177.10 173.63 1wgg n GLY 70 N 5.15 1.26 3.10 0.66 0.00 0.14 -4.90 105.19 110.60 1wgg n GLY 70 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.95 -4.99 1.61 0.00 -1.17 -4.70 117.12 104.92 1wgg n MET 71 Ca 0.00 -0.87 -0.27 0.00 0.00 0.00 0.00 57.70 56.56 1wgg n MET 71 Cb 0.00 -1.63 -0.16 0.00 0.00 0.00 0.00 33.22 31.44 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 -2.10 1.60 -0.19 3.17 2.01 -1.26 -2.30 115.64 116.56 1wgg s THR 72 Ca 0.46 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.57 1wgg s THR 72 Cb -0.09 -1.33 -0.01 0.00 0.01 0.00 0.00 72.50 71.08 1wgg s THR 72 CO 0.42 0.45 -0.06 -0.69 -0.69 0.00 0.00 174.62 174.06 1wgg s VAL 73 N -0.42 3.43 -0.23 3.82 1.01 0.52 -4.70 120.40 123.82 1wgg s VAL 73 Ca 0.06 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 1wgg s VAL 73 Cb -0.08 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1wgg s VAL 73 CO -0.00 0.46 0.17 -0.22 0.00 0.00 0.00 175.10 175.50 1wgg s LEU 74 N 0.99 4.14 0.06 3.92 1.98 -1.26 -0.21 118.68 128.31 1wgg s LEU 74 Ca -0.00 0.16 0.07 0.00 -2.89 0.00 0.00 54.13 51.47 1wgg s LEU 74 Cb -0.15 -2.12 -0.03 0.00 0.66 0.00 0.00 46.19 44.55 1wgg s LEU 74 CO 0.00 0.09 -0.17 -0.32 -1.89 0.00 0.00 176.35 174.06 1wgg s MET 75 N 0.90 2.02 -0.10 1.98 -2.45 -0.85 0.11 119.30 120.91 1wgg s MET 75 Ca 0.08 -1.03 -0.04 0.00 -1.25 0.00 0.00 55.69 53.45 1wgg s MET 75 Cb -0.13 -2.19 0.05 0.00 1.25 0.00 0.00 34.83 33.81 1wgg s MET 75 CO 0.03 0.52 0.21 -1.64 1.05 0.00 0.00 175.02 175.20 1wgg s MET 76 N -1.69 0.15 0.00 4.11 -1.94 0.56 -4.54 119.30 115.95 1wgg s MET 76 Ca 0.16 0.53 0.00 0.00 -1.71 0.00 0.00 55.69 54.67 1wgg s MET 76 Cb -0.11 -0.14 0.00 0.00 2.01 0.00 0.00 34.83 36.59 1wgg s MET 76 CO 0.07 -0.20 0.00 0.41 -0.01 0.00 0.00 175.02 175.29 1wgg n GLY 77 N 4.53 0.42 3.20 -0.03 0.00 -1.26 0.56 105.19 112.61 1wgg n GLY 77 Ca -0.20 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.49 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 1.48 -0.34 1.61 0.01 -1.26 -4.96 113.70 110.24 1wgg s SER 78 Ca 0.00 -0.93 0.02 0.00 1.31 0.00 0.00 55.95 56.36 1wgg s SER 78 Cb 0.00 0.02 0.10 0.00 0.21 0.00 0.00 66.02 66.36 1wgg s SER 78 CO 0.00 -0.34 0.08 0.00 0.41 0.00 0.00 173.24 173.39 1wgg s ALA 79 N -3.03 2.44 -0.33 1.44 0.00 -1.26 -4.64 121.76 116.39 1wgg s ALA 79 Ca 0.11 -2.28 0.03 0.00 0.00 0.00 0.00 51.96 49.82 1wgg s ALA 79 Cb 0.01 -1.86 0.10 0.00 0.00 0.00 0.00 23.12 21.37 1wgg s ALA 79 CO -0.01 -1.70 0.04 0.16 0.00 0.00 0.00 175.76 174.24 1wgg s ASP 80 N 1.08 4.67 0.11 0.00 1.47 -1.26 -4.99 116.67 117.75 1wgg s ASP 80 Ca 0.11 -2.03 -0.07 0.00 1.18 0.00 0.00 52.55 51.74 1wgg s ASP 80 Cb -0.19 -1.56 -0.01 0.00 -0.34 0.00 0.00 42.92 40.82 1wgg s ASP 80 CO -0.13 -0.36 0.18 0.00 0.68 0.00 0.00 175.17 175.53 1wgg s ALA 81 N 0.98 0.09 0.19 2.11 0.00 -1.26 -5.16 121.76 118.71 1wgg s ALA 81 Ca 0.09 -0.89 -0.14 0.00 0.00 0.00 0.00 51.96 51.01 1wgg s ALA 81 Cb -0.19 0.64 -0.07 0.00 0.00 0.00 0.00 23.12 23.49 1wgg s ALA 81 CO -0.09 -0.54 0.59 -0.51 0.00 0.00 0.00 175.76 175.22 1wgg s LEU 82 N -2.93 4.29 -1.14 0.00 1.43 -1.26 -4.96 118.68 114.11 1wgg s LEU 82 Ca 0.12 1.13 -0.14 0.00 -1.03 0.00 0.00 54.13 54.20 1wgg s LEU 82 Cb 0.05 -3.46 -0.07 0.00 0.03 0.00 0.00 46.19 42.75 1wgg s LEU 82 CO -0.06 0.04 2.23 -0.81 0.23 0.00 0.00 176.35 177.98 1wgg n PRO 83 N 0.54 2.39 -3.35 1.29 -0.04 -1.26 -4.64 135.00 129.94 1wgg n PRO 83 Ca -0.03 -2.03 -0.18 0.00 -0.04 0.00 0.00 63.50 61.22 1wgg n PRO 83 Cb 0.52 -2.90 -0.08 0.00 -0.04 0.00 0.00 33.50 31.01 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 3.65 0.67 -0.51 0.54 -6.30 -1.26 -5.08 118.70 110.41 1wgg s GLU 84 Ca 0.52 -0.97 0.03 0.00 -2.50 0.00 0.00 54.97 52.06 1wgg s GLU 84 Cb 0.14 -0.77 0.13 0.00 0.00 0.00 0.00 34.13 33.63 1wgg s GLU 84 CO -0.01 -1.21 0.26 -2.00 0.02 0.00 0.00 175.26 172.32 1wgg s GLU 85 N 1.31 2.00 -0.38 4.30 2.12 -1.26 -5.07 118.70 121.72 1wgg s GLU 85 Ca 0.18 -2.52 -0.29 0.00 0.36 0.00 0.00 54.97 52.70 1wgg s GLU 85 Cb -0.15 -3.37 0.01 0.00 0.26 0.00 0.00 34.13 30.89 1wgg s GLU 85 CO -0.03 -1.10 1.39 -1.25 -0.54 0.00 0.00 175.26 173.74 1wgg s PRO 86 N -0.12 3.66 0.43 4.30 0.04 -1.26 -4.67 135.00 137.39 1wgg s PRO 86 Ca 0.16 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1wgg s PRO 86 Cb -0.24 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1wgg s PRO 86 CO -0.01 -1.46 0.00 0.43 0.04 0.00 0.00 177.00 176.00 1wgg n SER 87 N 8.54 -8.87 -3.73 6.66 7.64 -1.26 -4.94 113.62 117.66 1wgg n SER 87 Ca 0.16 1.26 -0.30 0.00 1.01 0.00 0.00 58.87 61.01 1wgg n SER 87 Cb 0.48 -4.75 -0.13 0.00 -1.01 0.00 0.00 64.21 58.79 1wgg n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wgg s ALA 88 N -2.58 2.18 -0.30 -0.43 0.00 -1.26 -5.02 121.76 114.35 1wgg s ALA 88 Ca 0.00 -2.58 -0.09 0.00 0.00 0.00 0.00 51.96 49.29 1wgg s ALA 88 Cb 0.00 -1.89 0.18 0.00 0.00 0.00 0.00 23.12 21.41 1wgg s ALA 88 CO 0.00 -2.04 0.97 0.21 0.00 0.00 0.00 175.76 174.89 1wgg s LYS 89 N 0.39 0.23 -0.11 0.00 2.20 -1.26 -5.12 119.74 116.07 1wgg s LYS 89 Ca 0.17 0.29 -0.33 0.00 -0.36 0.00 0.00 55.97 55.75 1wgg s LYS 89 Cb -0.24 0.15 -0.10 0.00 -1.51 0.00 0.00 37.83 36.12 1wgg s LYS 89 CO -0.01 -0.37 1.99 0.25 -0.36 0.00 0.00 175.35 176.85 1wgg n THR 90 N 5.28 0.55 -0.69 3.43 -2.24 -1.26 -4.93 114.28 114.41 1wgg n THR 90 Ca 0.03 -0.18 -0.29 0.00 -2.27 0.00 0.00 64.05 61.34 1wgg n THR 90 Cb 0.56 -2.05 0.22 0.00 -2.10 0.00 0.00 70.33 66.96 1wgg n THR 90 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wgg s SER 91 N 5.14 1.58 -0.05 3.42 0.01 -1.26 -5.05 113.70 117.49 1wgg s SER 91 Ca 0.95 1.56 -0.02 0.00 1.31 0.00 0.00 55.95 59.74 1wgg s SER 91 Cb -0.60 -2.27 0.03 0.00 0.21 0.00 0.00 66.02 63.39 1wgg s SER 91 CO 0.47 -3.83 0.07 -0.83 0.41 0.00 0.00 173.24 169.53 1wgg s GLY 92 N -2.72 0.21 0.00 3.44 0.00 -1.26 -5.03 107.32 101.96 1wgg s GLY 92 Ca 0.67 0.17 -0.20 0.00 0.00 0.00 0.00 44.72 45.36 1wgg s GLY 92 CO 0.62 1.44 1.13 -0.56 0.00 0.00 0.00 173.10 175.73 1wgg h PRO 93 N 8.43 0.38 -1.60 2.90 0.13 -2.06 -3.48 132.00 136.70 1wgg h PRO 93 Ca -0.12 -0.37 0.17 0.00 -0.87 0.00 0.00 66.00 64.81 1wgg h PRO 93 Cb 1.12 0.09 -0.21 0.00 0.13 0.00 0.00 31.00 32.14 1wgg h PRO 93 CO 0.16 1.03 0.69 -1.54 -0.23 0.00 0.00 178.00 178.11 1wgg s SER 94 N -6.60 -0.24 0.19 1.44 1.04 -1.26 -5.18 113.70 103.09 1wgg s SER 94 Ca -0.14 0.13 0.10 0.00 0.48 0.00 0.00 55.95 56.52 1wgg s SER 94 Cb 0.03 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 1wgg s SER 94 CO 0.80 -0.32 -0.20 -0.44 0.98 0.00 0.00 173.24 174.06 1wgg s SER 95 N -1.75 3.05 0.00 7.02 0.01 -1.26 -5.28 113.70 115.49 1wgg s SER 95 Ca 0.05 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.42 1wgg s SER 95 Cb -0.01 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1wgg s SER 95 CO -0.04 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.24